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 3be7_1_A DATA FIRST_RESID 3 DATA SEQUENCE SEDFLIKSKG YLDIQTGEII KADLLIRNGK IAEIGKINTK DATVISIPDL DATA SEQUENCE ILIPGLMDSH VHIVGNDSKG EESIADSSHM GTVWGVVNAE KTLMAGFTTV DATA SEQUENCE RNVGAANYAD VSVRDAIERG VINGPTMLVS GPALGITGGH cDHNLLPPEF DATA SEQUENCE NYSSEGVVDS PWEARKMVRK NRKYGADLIK FcATGGVMSR NTDVNAKQFT DATA SEQUENCE LEEMKAIVDE AHNHGMKVAA HAHGLIGIKA AIKAGVDSVE HASFIDDETI DATA SEQUENCE DMAIKNNTVL SMDIFVSDYI LGEGAKAGIR EESLNKERLV GKKQRENFMN DATA SEQUENCE AHRRGAIITF GTDAGIFDHG DNAKQFAYMV EWGMTPLEAI QASTIKTATL DATA SEQUENCE FGIENIGQIK EGFDADIVGV IENPLANIRT LEEVAFVMKE GKVYKREG 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.530 174.600 -0.117 0.000 1.055 3 S CA 0.000 58.155 58.200 -0.075 0.000 1.107 3 S CB 0.000 63.164 63.200 -0.060 0.000 0.593 4 E N 2.348 122.459 120.200 -0.148 0.000 2.354 4 E HA 0.306 4.656 4.350 -0.001 0.000 0.252 4 E C -1.131 175.233 176.600 -0.394 0.000 1.330 4 E CA -0.313 55.940 56.400 -0.246 0.000 1.658 4 E CB -0.292 29.290 29.700 -0.197 0.000 1.460 4 E HN 0.296 nan 8.360 nan 0.000 0.435 5 D N 0.784 120.988 120.400 -0.326 0.000 2.294 5 D HA 0.367 5.007 4.640 -0.001 0.000 0.250 5 D C -0.723 175.345 176.300 -0.386 0.000 1.058 5 D CA -0.281 53.548 54.000 -0.285 0.000 0.950 5 D CB 0.633 41.365 40.800 -0.114 0.000 1.158 5 D HN 0.051 nan 8.370 nan 0.000 0.453 6 F N 0.711 120.664 119.950 0.005 0.000 2.482 6 F HA 0.329 4.856 4.527 -0.001 0.000 0.331 6 F C -0.036 175.764 175.800 -0.000 0.000 1.115 6 F CA -0.915 57.090 58.000 0.008 0.000 0.955 6 F CB 1.203 40.218 39.000 0.025 0.000 1.136 6 F HN -0.037 nan 8.300 nan 0.000 0.452 7 L N 5.484 126.832 121.223 0.209 0.000 2.280 7 L HA 0.508 4.848 4.340 -0.001 0.000 0.287 7 L C -0.646 176.263 176.870 0.065 0.000 1.023 7 L CA -0.367 54.534 54.840 0.101 0.000 0.819 7 L CB 0.911 43.004 42.059 0.058 0.000 1.212 7 L HN 0.533 nan 8.230 nan 0.000 0.420 8 I N 5.340 125.923 120.570 0.022 0.000 2.307 8 I HA 0.238 4.407 4.170 -0.001 0.000 0.289 8 I C 0.125 176.205 176.117 -0.060 0.000 1.021 8 I CA -0.419 60.849 61.300 -0.053 0.000 1.224 8 I CB 0.900 38.852 38.000 -0.080 0.000 1.376 8 I HN 0.394 nan 8.210 nan 0.000 0.470 9 K N 5.672 126.027 120.400 -0.076 0.000 2.263 9 K HA 0.486 4.805 4.320 -0.001 0.000 0.272 9 K C -0.241 176.306 176.600 -0.089 0.000 1.033 9 K CA -0.382 55.869 56.287 -0.060 0.000 0.884 9 K CB 1.600 34.074 32.500 -0.043 0.000 1.107 9 K HN 0.738 nan 8.250 nan 0.000 0.460 10 S N 1.151 116.812 115.700 -0.064 0.000 2.740 10 S HA 0.322 4.792 4.470 -0.001 0.000 0.300 10 S C 0.613 175.190 174.600 -0.038 0.000 1.147 10 S CA -0.939 57.218 58.200 -0.071 0.000 0.871 10 S CB 1.719 64.879 63.200 -0.068 0.000 1.173 10 S HN 0.599 nan 8.310 nan 0.000 0.510 11 K N -0.239 120.138 120.400 -0.038 0.000 2.366 11 K HA 0.288 4.608 4.320 -0.001 0.000 0.198 11 K C 0.662 177.252 176.600 -0.016 0.000 1.044 11 K CA 0.808 57.078 56.287 -0.027 0.000 0.973 11 K CB -0.372 32.108 32.500 -0.032 0.000 0.767 11 K HN 0.905 nan 8.250 nan 0.000 0.475 12 G N -0.391 108.410 108.800 0.003 0.000 2.347 12 G HA2 0.142 4.102 3.960 -0.001 0.000 0.303 12 G HA3 0.142 4.102 3.960 -0.001 0.000 0.303 12 G C -2.171 172.776 174.900 0.078 0.000 1.481 12 G CA -0.797 44.312 45.100 0.015 0.000 0.914 12 G HN 0.168 nan 8.290 nan 0.000 0.638 13 Y N -0.182 120.094 120.300 -0.040 0.000 2.462 13 Y HA 0.826 5.375 4.550 -0.001 0.000 0.346 13 Y C -0.772 175.102 175.900 -0.043 0.000 0.976 13 Y CA -1.807 56.269 58.100 -0.039 0.000 1.044 13 Y CB 2.072 40.511 38.460 -0.034 0.000 1.230 13 Y HN 0.731 nan 8.280 nan 0.000 0.455 14 L N 4.021 125.223 121.223 -0.035 0.000 2.313 14 L HA 0.338 4.677 4.340 -0.001 0.000 0.282 14 L C -0.720 176.089 176.870 -0.101 0.000 1.092 14 L CA 0.157 54.919 54.840 -0.130 0.000 0.831 14 L CB 0.480 42.502 42.059 -0.061 0.000 1.159 14 L HN 0.845 nan 8.230 nan 0.000 0.442 15 D N 3.841 124.102 120.400 -0.231 0.000 2.325 15 D HA 0.107 4.747 4.640 -0.001 0.000 0.251 15 D C 0.898 177.166 176.300 -0.054 0.000 1.196 15 D CA 0.259 54.199 54.000 -0.100 0.000 0.866 15 D CB 0.682 41.392 40.800 -0.149 0.000 1.101 15 D HN 0.620 nan 8.370 nan 0.000 0.476 16 I N 2.977 123.537 120.570 -0.017 0.000 3.684 16 I HA -0.058 4.112 4.170 -0.001 0.000 0.304 16 I C 1.519 177.630 176.117 -0.009 0.000 1.278 16 I CA 0.382 61.673 61.300 -0.014 0.000 1.272 16 I CB 0.116 38.115 38.000 -0.001 0.000 1.029 16 I HN 0.485 nan 8.210 nan 0.000 0.458 17 Q N -0.676 119.115 119.800 -0.015 0.000 2.297 17 Q HA -0.018 4.322 4.340 -0.001 0.000 0.203 17 Q C 2.001 177.993 176.000 -0.013 0.000 0.931 17 Q CA 1.732 57.529 55.803 -0.009 0.000 0.885 17 Q CB 0.098 28.830 28.738 -0.011 0.000 0.991 17 Q HN 0.577 nan 8.270 nan 0.000 0.498 18 T N -3.992 110.546 114.554 -0.028 0.000 3.071 18 T HA 0.352 4.701 4.350 -0.001 0.000 0.239 18 T C 1.454 176.133 174.700 -0.035 0.000 0.997 18 T CA 0.941 63.022 62.100 -0.032 0.000 1.134 18 T CB 0.605 69.445 68.868 -0.045 0.000 0.928 18 T HN 0.334 nan 8.240 nan 0.000 0.453 19 G N 0.751 109.521 108.800 -0.050 0.000 2.192 19 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.193 19 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.193 19 G C -0.230 174.622 174.900 -0.079 0.000 0.999 19 G CA -0.147 44.920 45.100 -0.054 0.000 0.659 19 G HN 0.628 nan 8.290 nan 0.000 0.503 20 E N 0.361 120.499 120.200 -0.103 0.000 2.316 20 E HA 0.568 4.918 4.350 -0.001 0.000 0.275 20 E C 0.344 176.825 176.600 -0.199 0.000 1.029 20 E CA -0.294 56.026 56.400 -0.133 0.000 0.871 20 E CB 0.563 30.183 29.700 -0.133 0.000 1.022 20 E HN 0.322 nan 8.360 nan 0.000 0.418 21 I N 5.072 125.536 120.570 -0.177 0.000 2.352 21 I HA 0.220 4.390 4.170 -0.001 0.000 0.290 21 I C -0.229 175.744 176.117 -0.240 0.000 1.036 21 I CA 0.181 61.354 61.300 -0.212 0.000 1.336 21 I CB 0.512 38.434 38.000 -0.130 0.000 1.407 21 I HN 0.371 nan 8.210 nan 0.000 0.497 22 I N 6.125 126.461 120.570 -0.390 0.000 2.378 22 I HA 0.316 4.485 4.170 -0.001 0.000 0.291 22 I C 0.081 176.120 176.117 -0.131 0.000 0.992 22 I CA -0.939 60.178 61.300 -0.304 0.000 1.154 22 I CB 1.387 39.120 38.000 -0.445 0.000 1.315 22 I HN 0.432 nan 8.210 nan 0.000 0.448 23 K N 5.612 125.986 120.400 -0.043 0.000 2.338 23 K HA 0.659 4.979 4.320 -0.001 0.000 0.290 23 K C -0.730 175.908 176.600 0.064 0.000 1.069 23 K CA 0.074 56.371 56.287 0.015 0.000 0.941 23 K CB 0.472 32.969 32.500 -0.005 0.000 1.023 23 K HN 0.788 nan 8.250 nan 0.000 0.477 24 A N 3.821 126.714 122.820 0.122 0.000 2.610 24 A HA 0.443 4.763 4.320 -0.001 0.000 0.291 24 A C -1.622 176.003 177.584 0.069 0.000 1.086 24 A CA -1.028 51.076 52.037 0.112 0.000 0.677 24 A CB 1.084 20.197 19.000 0.188 0.000 1.278 24 A HN 0.642 nan 8.150 nan 0.000 0.414 25 D N 0.115 120.530 120.400 0.026 0.000 2.332 25 D HA 0.659 5.299 4.640 -0.001 0.000 0.252 25 D C -0.627 175.654 176.300 -0.030 0.000 1.050 25 D CA 0.077 54.075 54.000 -0.002 0.000 0.970 25 D CB 1.263 42.062 40.800 -0.001 0.000 1.141 25 D HN 0.414 nan 8.370 nan 0.000 0.485 26 L N 1.316 122.517 121.223 -0.036 0.000 2.356 26 L HA 0.392 4.731 4.340 -0.001 0.000 0.277 26 L C -0.781 176.089 176.870 0.001 0.000 0.996 26 L CA -1.065 53.746 54.840 -0.048 0.000 0.822 26 L CB 1.653 43.668 42.059 -0.073 0.000 1.256 26 L HN 0.069 nan 8.230 nan 0.000 0.413 27 L N 5.023 126.248 121.223 0.003 0.000 2.276 27 L HA 0.511 4.851 4.340 -0.001 0.000 0.286 27 L C -0.586 176.312 176.870 0.047 0.000 1.061 27 L CA 0.019 54.877 54.840 0.030 0.000 0.807 27 L CB 0.848 42.916 42.059 0.015 0.000 1.177 27 L HN 0.326 nan 8.230 nan 0.000 0.429 28 I N 5.947 126.570 120.570 0.088 0.000 2.382 28 I HA 0.461 4.631 4.170 -0.001 0.000 0.286 28 I C -0.200 175.959 176.117 0.069 0.000 1.002 28 I CA -0.429 60.938 61.300 0.111 0.000 1.135 28 I CB 1.146 39.279 38.000 0.220 0.000 1.288 28 I HN 0.716 nan 8.210 nan 0.000 0.448 29 R N 3.576 124.103 120.500 0.044 0.000 2.673 29 R HA 0.528 4.868 4.340 -0.001 0.000 0.281 29 R C -0.094 176.220 176.300 0.023 0.000 0.991 29 R CA -0.764 55.345 56.100 0.014 0.000 0.896 29 R CB 1.000 31.298 30.300 -0.004 0.000 1.201 29 R HN 0.405 nan 8.270 nan 0.000 0.457 30 N N 1.092 119.798 118.700 0.011 0.000 2.727 30 N HA -0.196 4.544 4.740 -0.001 0.000 0.249 30 N C 0.667 176.198 175.510 0.035 0.000 1.048 30 N CA 1.826 54.886 53.050 0.017 0.000 0.714 30 N CB -1.023 37.470 38.487 0.011 0.000 0.959 30 N HN 1.265 nan 8.380 nan 0.000 0.544 31 G N -1.349 107.483 108.800 0.055 0.000 2.153 31 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.252 31 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.252 31 G C -0.012 174.930 174.900 0.071 0.000 0.994 31 G CA 0.949 46.092 45.100 0.071 0.000 0.698 31 G HN 0.656 nan 8.290 nan 0.000 0.521 32 K N -0.905 119.536 120.400 0.069 0.000 2.435 32 K HA 0.634 4.954 4.320 -0.001 0.000 0.251 32 K C 0.137 176.782 176.600 0.074 0.000 0.954 32 K CA -1.188 55.143 56.287 0.072 0.000 0.820 32 K CB 1.795 34.330 32.500 0.059 0.000 1.292 32 K HN 0.101 nan 8.250 nan 0.000 0.436 33 I N 2.899 123.516 120.570 0.078 0.000 2.483 33 I HA -0.022 4.148 4.170 -0.001 0.000 0.291 33 I C 1.087 177.227 176.117 0.038 0.000 1.112 33 I CA 0.130 61.457 61.300 0.046 0.000 1.350 33 I CB 0.898 38.907 38.000 0.015 0.000 1.419 33 I HN 0.798 nan 8.210 nan 0.000 0.523 34 A N 6.140 128.977 122.820 0.028 0.000 1.843 34 A HA 0.092 4.412 4.320 -0.001 0.000 0.213 34 A C 0.865 178.454 177.584 0.009 0.000 1.202 34 A CA 1.028 53.079 52.037 0.022 0.000 0.607 34 A CB 0.139 19.150 19.000 0.019 0.000 0.847 34 A HN 0.618 nan 8.150 nan 0.000 0.445 35 E N -1.398 118.799 120.200 -0.005 0.000 2.343 35 E HA 0.652 5.002 4.350 -0.001 0.000 0.270 35 E C -1.655 174.921 176.600 -0.041 0.000 0.895 35 E CA -0.428 55.963 56.400 -0.015 0.000 0.767 35 E CB 1.836 31.532 29.700 -0.006 0.000 1.248 35 E HN 0.304 nan 8.360 nan 0.000 0.440 36 I N 0.858 121.400 120.570 -0.047 0.000 2.447 36 I HA 0.643 4.813 4.170 -0.001 0.000 0.287 36 I C 0.532 176.640 176.117 -0.014 0.000 1.023 36 I CA -0.194 61.064 61.300 -0.071 0.000 1.083 36 I CB 1.707 39.624 38.000 -0.137 0.000 1.245 36 I HN 0.735 nan 8.210 nan 0.000 0.434 37 G N 5.068 113.868 108.800 -0.000 0.000 2.292 37 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.194 37 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.194 37 G C -1.264 173.644 174.900 0.014 0.000 1.329 37 G CA -0.992 44.121 45.100 0.022 0.000 1.100 37 G HN 0.404 nan 8.290 nan 0.000 0.470 38 K N 0.302 120.709 120.400 0.012 0.000 2.312 38 K HA 0.614 4.933 4.320 -0.001 0.000 0.287 38 K C -0.633 175.970 176.600 0.005 0.000 1.062 38 K CA 0.104 56.396 56.287 0.008 0.000 0.934 38 K CB 0.642 33.146 32.500 0.007 0.000 1.027 38 K HN 0.354 nan 8.250 nan 0.000 0.478 39 I N 2.880 123.453 120.570 0.004 0.000 2.436 39 I HA 0.160 4.330 4.170 -0.001 0.000 0.289 39 I C -0.375 175.743 176.117 0.003 0.000 1.010 39 I CA -0.754 60.548 61.300 0.003 0.000 1.098 39 I CB 1.868 39.870 38.000 0.003 0.000 1.266 39 I HN 0.463 nan 8.210 nan 0.000 0.434 40 N N 3.740 122.441 118.700 0.002 0.000 2.402 40 N HA 0.362 5.102 4.740 -0.001 0.000 0.252 40 N C -0.765 174.745 175.510 -0.000 0.000 1.118 40 N CA 0.269 53.319 53.050 0.001 0.000 0.945 40 N CB 0.555 39.042 38.487 0.000 0.000 1.147 40 N HN 0.693 nan 8.380 nan 0.000 0.495 41 T N 1.565 116.119 114.554 0.000 0.000 2.900 41 T HA 0.360 4.710 4.350 -0.001 0.000 0.303 41 T C -0.091 174.608 174.700 -0.002 0.000 1.142 41 T CA -0.652 61.447 62.100 -0.002 0.000 1.007 41 T CB 0.797 69.664 68.868 -0.001 0.000 1.156 41 T HN 0.612 nan 8.240 nan 0.000 0.490 42 K N 1.839 122.236 120.400 -0.006 0.000 2.562 42 K HA 0.155 4.474 4.320 -0.001 0.000 0.218 42 K C 0.302 176.896 176.600 -0.010 0.000 1.374 42 K CA 0.137 56.420 56.287 -0.006 0.000 0.996 42 K CB 0.376 32.873 32.500 -0.005 0.000 1.127 42 K HN 0.648 nan 8.250 nan 0.000 0.603 43 D N 1.266 121.657 120.400 -0.016 0.000 2.388 43 D HA 0.109 4.749 4.640 -0.001 0.000 0.208 43 D C 0.446 176.724 176.300 -0.037 0.000 1.035 43 D CA -0.125 53.861 54.000 -0.025 0.000 0.875 43 D CB 0.221 41.004 40.800 -0.028 0.000 0.984 43 D HN 0.174 nan 8.370 nan 0.000 0.508 44 A N 1.598 124.398 122.820 -0.033 0.000 2.401 44 A HA 0.475 4.794 4.320 -0.001 0.000 0.259 44 A C 0.694 178.270 177.584 -0.014 0.000 1.103 44 A CA -0.227 51.782 52.037 -0.046 0.000 0.789 44 A CB 0.175 19.157 19.000 -0.029 0.000 1.035 44 A HN 0.267 nan 8.150 nan 0.000 0.491 45 T N -0.232 114.310 114.554 -0.020 0.000 2.913 45 T HA 0.474 4.824 4.350 -0.001 0.000 0.297 45 T C -0.133 174.666 174.700 0.165 0.000 1.029 45 T CA -0.564 61.576 62.100 0.066 0.000 1.104 45 T CB 0.811 69.733 68.868 0.090 0.000 0.964 45 T HN 0.473 nan 8.240 nan 0.000 0.532 46 V N 3.881 123.872 119.914 0.128 0.000 2.347 46 V HA 0.326 4.446 4.120 -0.001 0.000 0.280 46 V C 0.358 176.496 176.094 0.074 0.000 1.021 46 V CA -0.898 61.459 62.300 0.096 0.000 0.847 46 V CB 0.982 32.830 31.823 0.042 0.000 0.990 46 V HN 0.860 nan 8.190 nan 0.000 0.444 47 I N 4.073 124.667 120.570 0.041 0.000 2.311 47 I HA 0.109 4.278 4.170 -0.001 0.000 0.297 47 I C 0.883 176.941 176.117 -0.098 0.000 1.131 47 I CA 0.584 61.840 61.300 -0.073 0.000 1.289 47 I CB 0.797 38.684 38.000 -0.189 0.000 1.446 47 I HN 0.579 nan 8.210 nan 0.000 0.524 48 S N 7.164 122.819 115.700 -0.074 0.000 2.416 48 S HA 0.353 4.823 4.470 -0.001 0.000 0.302 48 S C -0.133 174.399 174.600 -0.113 0.000 1.120 48 S CA -0.364 57.791 58.200 -0.076 0.000 1.067 48 S CB -0.115 63.060 63.200 -0.042 0.000 1.057 48 S HN 0.494 nan 8.310 nan 0.000 0.518 49 I N 8.074 128.554 120.570 -0.151 0.000 2.948 49 I HA 0.407 4.577 4.170 -0.001 0.000 0.308 49 I C -2.303 173.732 176.117 -0.137 0.000 1.478 49 I CA -1.930 59.257 61.300 -0.188 0.000 0.843 49 I CB 1.569 39.346 38.000 -0.372 0.000 2.100 49 I HN 0.406 nan 8.210 nan 0.000 0.625 50 P HA 0.030 nan 4.420 nan 0.000 0.227 50 P C 0.308 177.576 177.300 -0.053 0.000 1.161 50 P CA 0.969 64.031 63.100 -0.063 0.000 0.788 50 P CB 0.078 31.752 31.700 -0.045 0.000 0.822 51 D N -1.817 118.552 120.400 -0.052 0.000 2.395 51 D HA 0.066 4.706 4.640 -0.001 0.000 0.213 51 D C 0.233 176.509 176.300 -0.041 0.000 1.110 51 D CA -0.009 53.968 54.000 -0.039 0.000 0.835 51 D CB -0.431 40.352 40.800 -0.029 0.000 0.965 51 D HN 0.132 nan 8.370 nan 0.000 0.505 52 L N 1.062 122.250 121.223 -0.058 0.000 2.282 52 L HA 0.409 4.749 4.340 -0.001 0.000 0.288 52 L C -0.131 176.713 176.870 -0.044 0.000 1.033 52 L CA -1.004 53.805 54.840 -0.053 0.000 0.807 52 L CB 1.504 43.514 42.059 -0.081 0.000 1.209 52 L HN -0.175 nan 8.230 nan 0.000 0.423 53 I N 3.857 124.412 120.570 -0.026 0.000 2.519 53 I HA 0.166 4.336 4.170 -0.001 0.000 0.287 53 I C -0.243 175.876 176.117 0.004 0.000 1.047 53 I CA -0.085 61.205 61.300 -0.016 0.000 1.381 53 I CB 0.956 38.938 38.000 -0.029 0.000 1.417 53 I HN 0.264 nan 8.210 nan 0.000 0.540 54 L N 7.097 128.341 121.223 0.034 0.000 2.322 54 L HA 0.624 4.964 4.340 -0.001 0.000 0.281 54 L C -0.247 176.665 176.870 0.071 0.000 1.014 54 L CA -0.360 54.521 54.840 0.068 0.000 0.815 54 L CB 1.324 43.438 42.059 0.091 0.000 1.247 54 L HN 0.482 nan 8.230 nan 0.000 0.421 55 I N 0.755 121.349 120.570 0.040 0.000 3.002 55 I HA 0.822 4.992 4.170 -0.001 0.000 0.310 55 I C -2.641 173.484 176.117 0.014 0.000 1.087 55 I CA -2.500 58.808 61.300 0.013 0.000 1.017 55 I CB 2.217 40.180 38.000 -0.062 0.000 1.226 55 I HN 0.318 nan 8.210 nan 0.000 0.443 56 P HA 0.217 nan 4.420 nan 0.000 0.274 56 P C -0.104 177.179 177.300 -0.028 0.000 1.246 56 P CA -0.130 62.979 63.100 0.015 0.000 0.795 56 P CB 0.454 32.175 31.700 0.034 0.000 1.006 57 G N 1.602 110.395 108.800 -0.011 0.000 2.340 57 G HA2 0.238 4.198 3.960 -0.001 0.000 0.245 57 G HA3 0.238 4.198 3.960 -0.001 0.000 0.245 57 G C -0.187 174.662 174.900 -0.085 0.000 1.294 57 G CA -0.327 44.743 45.100 -0.050 0.000 0.896 57 G HN 0.359 nan 8.290 nan 0.000 0.522 58 L N 1.641 122.722 121.223 -0.236 0.000 2.436 58 L HA 0.461 4.801 4.340 -0.001 0.000 0.265 58 L C 0.782 177.610 176.870 -0.071 0.000 1.168 58 L CA -0.036 54.595 54.840 -0.347 0.000 0.815 58 L CB 0.912 42.413 42.059 -0.930 0.000 1.109 58 L HN 0.372 nan 8.230 nan 0.000 0.462 59 M N 1.448 121.138 119.600 0.150 0.000 2.591 59 M HA 0.391 4.871 4.480 -0.001 0.000 0.306 59 M C -1.316 175.364 176.300 0.634 0.000 1.190 59 M CA -0.593 54.957 55.300 0.418 0.000 0.889 59 M CB 2.404 35.129 32.600 0.209 0.000 1.728 59 M HN 0.409 nan 8.290 nan 0.000 0.458 60 D N 0.367 121.135 120.400 0.614 0.000 2.593 60 D HA 0.305 4.944 4.640 -0.001 0.000 0.251 60 D C 0.027 176.598 176.300 0.453 0.000 1.140 60 D CA -0.045 54.249 54.000 0.491 0.000 0.855 60 D CB 1.789 42.709 40.800 0.200 0.000 1.267 60 D HN 0.698 nan 8.370 nan 0.000 0.532 61 S N 2.227 118.160 115.700 0.389 0.000 2.575 61 S HA 0.051 4.521 4.470 -0.001 0.000 0.215 61 S C 0.469 175.187 174.600 0.197 0.000 0.966 61 S CA 0.031 58.475 58.200 0.408 0.000 0.911 61 S CB -0.055 63.347 63.200 0.337 0.000 0.780 61 S HN 0.581 nan 8.310 nan 0.000 0.514 62 H N 0.476 119.551 119.070 0.007 0.000 2.941 62 H HA 0.488 5.044 4.556 -0.001 0.000 0.291 62 H C -0.992 174.253 175.328 -0.137 0.000 1.361 62 H CA -0.577 55.407 56.048 -0.107 0.000 1.606 62 H CB 0.960 30.643 29.762 -0.131 0.000 1.848 62 H HN 0.258 nan 8.280 nan 0.000 0.601 63 V N 0.300 120.112 119.914 -0.170 0.000 3.046 63 V HA 0.571 4.691 4.120 -0.001 0.000 0.316 63 V C -0.341 175.548 176.094 -0.341 0.000 1.104 63 V CA -0.821 61.401 62.300 -0.130 0.000 1.006 63 V CB 2.476 34.280 31.823 -0.032 0.000 1.058 63 V HN 0.668 nan 8.190 nan 0.000 0.440 64 H N 2.138 121.237 119.070 0.047 0.000 2.569 64 H HA 0.496 5.052 4.556 -0.001 0.000 0.247 64 H C 0.477 175.869 175.328 0.107 0.000 1.346 64 H CA -0.226 55.838 56.048 0.027 0.000 1.502 64 H CB 1.667 31.425 29.762 -0.007 0.000 1.512 64 H HN 0.645 nan 8.280 nan 0.000 0.502 65 I N 1.134 121.707 120.570 0.005 0.000 2.286 65 I HA -0.129 4.041 4.170 -0.001 0.000 0.245 65 I C 1.116 177.172 176.117 -0.102 0.000 1.104 65 I CA 0.924 62.060 61.300 -0.273 0.000 1.397 65 I CB 0.621 38.449 38.000 -0.287 0.000 1.072 65 I HN 0.179 nan 8.210 nan 0.000 0.417 66 V N 1.071 120.977 119.914 -0.014 0.000 2.407 66 V HA 0.788 4.908 4.120 -0.001 0.000 0.278 66 V C -0.078 176.031 176.094 0.025 0.000 1.037 66 V CA 0.222 62.532 62.300 0.016 0.000 0.900 66 V CB 0.499 32.324 31.823 0.004 0.000 0.983 66 V HN 0.340 nan 8.190 nan 0.000 0.459 67 G N 4.315 113.130 108.800 0.025 0.000 2.347 67 G HA2 0.089 4.049 3.960 -0.001 0.000 0.303 67 G HA3 0.089 4.049 3.960 -0.001 0.000 0.303 67 G C -1.566 173.297 174.900 -0.063 0.000 1.481 67 G CA -0.868 44.213 45.100 -0.032 0.000 0.914 67 G HN 0.942 nan 8.290 nan 0.000 0.638 68 N N 0.485 119.115 118.700 -0.117 0.000 2.411 68 N HA 0.329 5.068 4.740 -0.001 0.000 0.259 68 N C 0.005 175.225 175.510 -0.484 0.000 1.103 68 N CA -0.383 52.547 53.050 -0.199 0.000 0.954 68 N CB 1.209 39.654 38.487 -0.070 0.000 1.085 68 N HN 0.415 nan 8.380 nan 0.000 0.485 69 D N 0.745 120.451 120.400 -1.156 0.000 2.395 69 D HA 0.061 4.701 4.640 -0.001 0.000 0.213 69 D C -0.309 175.491 176.300 -0.833 0.000 1.110 69 D CA 0.162 53.465 54.000 -1.162 0.000 0.835 69 D CB 0.335 40.137 40.800 -1.662 0.000 0.965 69 D HN 0.293 nan 8.370 nan 0.000 0.505 70 S N 0.846 116.305 115.700 -0.402 0.000 2.548 70 S HA 0.238 4.707 4.470 -0.001 0.000 0.277 70 S C 0.473 175.052 174.600 -0.034 0.000 1.315 70 S CA -0.020 58.207 58.200 0.046 0.000 1.050 70 S CB 1.442 64.809 63.200 0.278 0.000 0.918 70 S HN 0.031 nan 8.310 nan 0.000 0.497 71 K N 1.107 121.509 120.400 0.003 0.000 2.313 71 K HA 0.786 5.106 4.320 -0.001 0.000 0.235 71 K C 0.488 177.091 176.600 0.005 0.000 1.035 71 K CA -0.441 55.836 56.287 -0.017 0.000 0.868 71 K CB 1.514 34.001 32.500 -0.021 0.000 1.232 71 K HN 0.826 nan 8.250 nan 0.000 0.459 72 G N 0.734 109.530 108.800 -0.006 0.000 2.725 72 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.220 72 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.220 72 G C 0.187 175.085 174.900 -0.004 0.000 1.357 72 G CA -0.051 45.048 45.100 -0.001 0.000 0.866 72 G HN 0.695 nan 8.290 nan 0.000 0.548 73 E N 0.643 120.842 120.200 -0.001 0.000 2.216 73 E HA 0.020 4.370 4.350 -0.001 0.000 0.192 73 E C 2.236 178.835 176.600 -0.002 0.000 0.988 73 E CA 1.400 57.797 56.400 -0.005 0.000 0.834 73 E CB -0.052 29.646 29.700 -0.004 0.000 0.772 73 E HN 0.758 nan 8.360 nan 0.000 0.479 74 E N 0.839 121.044 120.200 0.008 0.000 2.274 74 E HA -0.123 4.227 4.350 -0.001 0.000 0.194 74 E C 1.824 178.433 176.600 0.015 0.000 0.996 74 E CA 1.197 57.605 56.400 0.013 0.000 0.840 74 E CB -0.075 29.638 29.700 0.022 0.000 0.772 74 E HN 0.109 nan 8.360 nan 0.000 0.491 75 S N -0.012 115.696 115.700 0.013 0.000 2.593 75 S HA 0.042 4.511 4.470 -0.001 0.000 0.217 75 S C 1.696 176.289 174.600 -0.010 0.000 0.966 75 S CA -0.199 58.009 58.200 0.014 0.000 0.914 75 S CB -0.115 63.094 63.200 0.015 0.000 0.776 75 S HN 0.225 nan 8.310 nan 0.000 0.523 76 I N 1.962 122.520 120.570 -0.020 0.000 2.333 76 I HA 0.275 4.444 4.170 -0.001 0.000 0.246 76 I C 2.121 178.209 176.117 -0.049 0.000 1.106 76 I CA 1.191 62.467 61.300 -0.040 0.000 1.411 76 I CB -0.371 37.605 38.000 -0.040 0.000 1.082 76 I HN 0.378 nan 8.210 nan 0.000 0.420 77 A N -0.518 122.282 122.820 -0.033 0.000 2.415 77 A HA 0.180 4.500 4.320 -0.001 0.000 0.248 77 A C 0.297 177.868 177.584 -0.022 0.000 1.299 77 A CA -0.333 51.684 52.037 -0.035 0.000 0.899 77 A CB -0.756 18.230 19.000 -0.024 0.000 0.997 77 A HN 0.283 nan 8.150 nan 0.000 0.506 78 D N 1.757 122.149 120.400 -0.013 0.000 2.488 78 D HA 0.163 4.803 4.640 -0.001 0.000 0.238 78 D C 1.106 177.404 176.300 -0.004 0.000 1.138 78 D CA 0.717 54.721 54.000 0.007 0.000 0.873 78 D CB 0.960 41.775 40.800 0.025 0.000 1.183 78 D HN 0.446 nan 8.370 nan 0.000 0.458 79 S N 0.867 116.580 115.700 0.021 0.000 2.626 79 S HA 0.092 4.562 4.470 -0.001 0.000 0.257 79 S C 1.419 176.013 174.600 -0.011 0.000 1.288 79 S CA 0.148 58.358 58.200 0.018 0.000 0.980 79 S CB 0.872 64.125 63.200 0.088 0.000 0.975 79 S HN 0.387 nan 8.310 nan 0.000 0.577 80 S N -0.401 115.248 115.700 -0.084 0.000 2.481 80 S HA -0.056 4.414 4.470 -0.001 0.000 0.231 80 S C 1.484 175.982 174.600 -0.170 0.000 0.996 80 S CA 0.463 58.567 58.200 -0.159 0.000 0.942 80 S CB -0.857 62.200 63.200 -0.239 0.000 0.768 80 S HN 0.808 nan 8.310 nan 0.000 0.520 81 H N 0.276 119.349 119.070 0.005 0.000 2.495 81 H HA 0.177 4.733 4.556 -0.000 0.000 0.287 81 H C 1.858 177.203 175.328 0.029 0.000 1.033 81 H CA 1.401 57.456 56.048 0.011 0.000 1.307 81 H CB -0.210 29.553 29.762 0.002 0.000 1.401 81 H HN 0.433 nan 8.280 nan 0.000 0.555 82 M N 0.638 120.322 119.600 0.142 0.000 2.229 82 M HA 0.002 4.482 4.480 -0.001 0.000 0.264 82 M C 2.312 178.750 176.300 0.230 0.000 1.063 82 M CA 1.168 56.563 55.300 0.158 0.000 1.114 82 M CB -0.508 32.185 32.600 0.156 0.000 1.387 82 M HN 0.167 nan 8.290 nan 0.000 0.420 83 G N -1.651 107.232 108.800 0.138 0.000 2.422 83 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.218 83 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.218 83 G C 1.385 176.359 174.900 0.124 0.000 1.140 83 G CA 1.320 46.492 45.100 0.120 0.000 0.775 83 G HN 0.500 nan 8.290 nan 0.000 0.545 84 T N 0.670 115.277 114.554 0.089 0.000 2.896 84 T HA -0.023 4.327 4.350 -0.001 0.000 0.263 84 T C 2.582 177.324 174.700 0.069 0.000 1.050 84 T CA 0.863 63.007 62.100 0.074 0.000 1.140 84 T CB -0.103 68.814 68.868 0.081 0.000 0.877 84 T HN 0.058 nan 8.240 nan 0.000 0.457 85 V N 0.113 120.065 119.914 0.062 0.000 2.287 85 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 85 V C 2.090 178.149 176.094 -0.059 0.000 1.053 85 V CA 1.563 63.846 62.300 -0.028 0.000 1.027 85 V CB -0.771 30.999 31.823 -0.089 0.000 0.646 85 V HN 0.578 nan 8.190 nan 0.000 0.447 86 W N 0.568 121.861 121.300 -0.012 0.000 2.363 86 W HA -0.063 4.597 4.660 -0.000 0.000 0.296 86 W C 2.543 179.035 176.519 -0.045 0.000 1.212 86 W CA 1.407 58.740 57.345 -0.019 0.000 1.260 86 W CB -0.841 28.612 29.460 -0.012 0.000 1.131 86 W HN 0.309 nan 8.180 nan 0.000 0.530 87 G N -0.021 108.887 108.800 0.181 0.000 2.469 87 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.219 87 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.219 87 G C 1.432 176.333 174.900 0.001 0.000 1.150 87 G CA 1.675 46.806 45.100 0.052 0.000 0.763 87 G HN 0.151 nan 8.290 nan 0.000 0.561 88 V N 0.405 120.320 119.914 0.001 0.000 2.255 88 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 88 V C 3.028 179.102 176.094 -0.034 0.000 1.051 88 V CA 1.668 63.952 62.300 -0.027 0.000 1.018 88 V CB -0.602 31.200 31.823 -0.035 0.000 0.641 88 V HN 0.253 nan 8.190 nan 0.000 0.445 89 V N 0.649 120.545 119.914 -0.029 0.000 2.332 89 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 89 V C 2.283 178.395 176.094 0.030 0.000 1.055 89 V CA 2.249 64.540 62.300 -0.016 0.000 1.038 89 V CB -0.779 31.001 31.823 -0.071 0.000 0.651 89 V HN 0.589 nan 8.190 nan 0.000 0.450 90 N N 0.082 118.802 118.700 0.034 0.000 2.300 90 N HA -0.016 4.724 4.740 -0.001 0.000 0.179 90 N C 1.848 177.256 175.510 -0.170 0.000 1.016 90 N CA 1.370 54.373 53.050 -0.078 0.000 0.876 90 N CB -0.353 37.974 38.487 -0.267 0.000 0.979 90 N HN 0.479 nan 8.380 nan 0.000 0.432 91 A N 1.280 124.021 122.820 -0.133 0.000 1.877 91 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 91 A C 2.139 179.674 177.584 -0.082 0.000 1.186 91 A CA 1.476 53.444 52.037 -0.114 0.000 0.620 91 A CB -0.652 18.293 19.000 -0.092 0.000 0.822 91 A HN 0.339 nan 8.150 nan 0.000 0.443 92 E N -0.233 119.929 120.200 -0.064 0.000 2.085 92 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 92 E C 1.991 178.581 176.600 -0.017 0.000 0.994 92 E CA 1.524 57.892 56.400 -0.054 0.000 0.801 92 E CB -0.090 29.589 29.700 -0.034 0.000 0.743 92 E HN 0.604 nan 8.360 nan 0.000 0.453 93 K N -0.602 119.805 120.400 0.012 0.000 2.148 93 K HA -0.072 4.248 4.320 -0.001 0.000 0.204 93 K C 2.073 178.720 176.600 0.078 0.000 1.050 93 K CA 1.563 57.885 56.287 0.059 0.000 0.942 93 K CB 0.067 32.624 32.500 0.096 0.000 0.724 93 K HN 0.144 nan 8.250 nan 0.000 0.446 94 T N 1.500 116.081 114.554 0.045 0.000 2.904 94 T HA -0.095 4.255 4.350 -0.001 0.000 0.267 94 T C 1.657 176.444 174.700 0.145 0.000 1.059 94 T CA 0.609 62.759 62.100 0.083 0.000 1.137 94 T CB -0.071 68.803 68.868 0.011 0.000 0.879 94 T HN 0.049 nan 8.240 nan 0.000 0.467 95 L N 0.975 122.226 121.223 0.047 0.000 2.027 95 L HA 0.135 4.474 4.340 -0.001 0.000 0.206 95 L C 2.026 178.915 176.870 0.031 0.000 1.074 95 L CA 1.646 56.486 54.840 0.001 0.000 0.745 95 L CB -0.690 41.274 42.059 -0.160 0.000 0.898 95 L HN 0.120 nan 8.230 nan 0.000 0.433 96 M N -0.747 118.876 119.600 0.039 0.000 2.549 96 M HA 0.028 4.508 4.480 -0.001 0.000 0.260 96 M C 1.816 178.171 176.300 0.092 0.000 1.076 96 M CA 1.088 56.420 55.300 0.054 0.000 1.090 96 M CB -1.499 31.134 32.600 0.054 0.000 1.418 96 M HN 0.425 nan 8.290 nan 0.000 0.486 97 A N -0.700 122.215 122.820 0.158 0.000 2.345 97 A HA 0.496 4.815 4.320 -0.001 0.000 0.225 97 A C 1.520 179.228 177.584 0.208 0.000 1.243 97 A CA 0.598 52.773 52.037 0.229 0.000 0.875 97 A CB -0.467 18.738 19.000 0.342 0.000 0.929 97 A HN 0.585 nan 8.150 nan 0.000 0.502 98 G N -1.397 107.466 108.800 0.105 0.000 2.132 98 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.228 98 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.228 98 G C -0.211 174.574 174.900 -0.192 0.000 1.000 98 G CA 0.001 45.065 45.100 -0.059 0.000 0.693 98 G HN 0.334 nan 8.290 nan 0.000 0.515 99 F N 1.043 121.020 119.950 0.046 0.000 2.404 99 F HA 0.544 5.071 4.527 -0.001 0.000 0.354 99 F C 1.511 177.333 175.800 0.036 0.000 1.122 99 F CA 0.283 58.322 58.000 0.065 0.000 1.080 99 F CB 2.013 41.076 39.000 0.105 0.000 1.131 99 F HN 0.120 nan 8.300 nan 0.000 0.471 100 T N -2.671 111.984 114.554 0.167 0.000 2.955 100 T HA 0.186 4.536 4.350 -0.001 0.000 0.251 100 T C 0.376 175.148 174.700 0.119 0.000 1.002 100 T CA 0.037 62.193 62.100 0.093 0.000 0.970 100 T CB 0.264 69.163 68.868 0.052 0.000 1.091 100 T HN 0.383 nan 8.240 nan 0.000 0.495 101 T N 2.694 117.364 114.554 0.193 0.000 2.937 101 T HA 0.690 5.040 4.350 -0.001 0.000 0.297 101 T C -0.724 174.168 174.700 0.320 0.000 0.991 101 T CA -0.680 61.554 62.100 0.223 0.000 0.990 101 T CB 2.060 71.097 68.868 0.282 0.000 0.991 101 T HN 0.478 nan 8.240 nan 0.000 0.440 102 V N 0.961 120.975 119.914 0.167 0.000 3.001 102 V HA 0.746 4.866 4.120 -0.001 0.000 0.314 102 V C -0.494 175.515 176.094 -0.141 0.000 1.099 102 V CA -1.526 60.856 62.300 0.136 0.000 0.989 102 V CB 2.181 34.057 31.823 0.089 0.000 1.040 102 V HN 0.824 nan 8.190 nan 0.000 0.434 103 R N 2.251 122.649 120.500 -0.168 0.000 2.247 103 R HA 0.410 4.750 4.340 -0.001 0.000 0.329 103 R C -0.421 175.736 176.300 -0.237 0.000 1.014 103 R CA -0.253 55.642 56.100 -0.341 0.000 0.907 103 R CB 0.356 30.413 30.300 -0.406 0.000 1.146 103 R HN 0.953 nan 8.270 nan 0.000 0.499 104 N N 2.261 120.824 118.700 -0.229 0.000 2.430 104 N HA 0.036 4.776 4.740 -0.001 0.000 0.265 104 N C 0.075 175.420 175.510 -0.275 0.000 1.100 104 N CA -0.093 52.811 53.050 -0.242 0.000 0.961 104 N CB 1.519 39.911 38.487 -0.158 0.000 1.075 104 N HN 0.308 nan 8.380 nan 0.000 0.478 105 V N 2.162 121.808 119.914 -0.447 0.000 3.477 105 V HA 0.536 4.656 4.120 -0.001 0.000 0.297 105 V C 0.196 176.153 176.094 -0.228 0.000 1.433 105 V CA 0.427 62.474 62.300 -0.421 0.000 1.052 105 V CB -0.298 31.117 31.823 -0.681 0.000 0.895 105 V HN 0.783 nan 8.190 nan 0.000 0.438 106 G N -0.041 108.702 108.800 -0.094 0.000 2.289 106 G HA2 0.681 4.640 3.960 -0.001 0.000 0.315 106 G HA3 0.681 4.640 3.960 -0.001 0.000 0.315 106 G C -1.019 173.977 174.900 0.159 0.000 1.587 106 G CA 0.347 45.522 45.100 0.124 0.000 0.949 106 G HN 0.693 nan 8.290 nan 0.000 0.626 107 A N 0.605 123.444 122.820 0.033 0.000 2.568 107 A HA 1.081 5.400 4.320 -0.001 0.000 0.291 107 A C -0.331 177.203 177.584 -0.083 0.000 1.159 107 A CA -0.055 51.978 52.037 -0.007 0.000 0.679 107 A CB 1.199 20.192 19.000 -0.011 0.000 1.285 107 A HN 2.457 nan 8.150 nan 0.000 0.428 108 A N -0.010 122.747 122.820 -0.105 0.000 2.337 108 A HA 0.691 5.011 4.320 -0.001 0.000 0.331 108 A C 0.278 177.741 177.584 -0.201 0.000 1.137 108 A CA -0.146 51.796 52.037 -0.157 0.000 0.807 108 A CB 0.213 19.147 19.000 -0.109 0.000 1.250 108 A HN 1.460 nan 8.150 nan 0.000 0.468 109 N N -0.308 118.220 118.700 -0.286 0.000 2.800 109 N HA -0.249 4.491 4.740 -0.001 0.000 0.250 109 N C -0.525 174.929 175.510 -0.094 0.000 1.078 109 N CA 1.625 54.552 53.050 -0.204 0.000 0.804 109 N CB -1.836 36.574 38.487 -0.128 0.000 1.135 109 N HN 1.005 nan 8.380 nan 0.000 0.565 110 Y N -3.304 116.969 120.300 -0.044 0.000 4.538 110 Y HA -0.343 4.206 4.550 -0.001 0.000 0.225 110 Y C 1.636 177.522 175.900 -0.023 0.000 1.074 110 Y CA 0.959 59.044 58.100 -0.025 0.000 1.942 110 Y CB -2.124 36.321 38.460 -0.024 0.000 1.618 110 Y HN 0.415 nan 8.280 nan 0.000 0.642 111 A N 0.551 123.393 122.820 0.037 0.000 2.067 111 A HA -0.203 4.116 4.320 -0.001 0.000 0.219 111 A C 2.083 179.680 177.584 0.023 0.000 1.158 111 A CA 1.610 53.660 52.037 0.023 0.000 0.661 111 A CB -0.400 18.588 19.000 -0.020 0.000 0.801 111 A HN 0.639 nan 8.150 nan 0.000 0.452 112 D N 0.594 121.003 120.400 0.015 0.000 2.117 112 D HA -0.179 4.461 4.640 -0.001 0.000 0.197 112 D C 1.917 178.234 176.300 0.028 0.000 0.987 112 D CA 1.845 55.851 54.000 0.009 0.000 0.829 112 D CB -1.310 39.487 40.800 -0.006 0.000 0.961 112 D HN 0.568 nan 8.370 nan 0.000 0.460 113 V N -0.051 119.908 119.914 0.074 0.000 2.515 113 V HA -0.158 3.962 4.120 -0.001 0.000 0.250 113 V C 2.181 178.304 176.094 0.049 0.000 1.058 113 V CA 1.984 64.326 62.300 0.071 0.000 1.064 113 V CB -0.472 31.418 31.823 0.111 0.000 0.675 113 V HN 0.116 nan 8.190 nan 0.000 0.461 114 S N 0.603 116.336 115.700 0.054 0.000 2.348 114 S HA -0.150 4.320 4.470 -0.001 0.000 0.221 114 S C 1.949 176.563 174.600 0.022 0.000 1.033 114 S CA 1.807 60.031 58.200 0.039 0.000 1.010 114 S CB -0.464 62.764 63.200 0.047 0.000 0.891 114 S HN 0.545 nan 8.310 nan 0.000 0.442 115 V N 2.404 122.326 119.914 0.014 0.000 2.255 115 V HA -0.231 3.889 4.120 -0.001 0.000 0.247 115 V C 2.536 178.624 176.094 -0.010 0.000 1.051 115 V CA 2.095 64.394 62.300 -0.002 0.000 1.018 115 V CB -0.765 31.050 31.823 -0.013 0.000 0.641 115 V HN 0.417 nan 8.190 nan 0.000 0.445 116 R N 0.169 120.662 120.500 -0.011 0.000 2.136 116 R HA -0.286 4.053 4.340 -0.001 0.000 0.242 116 R C 2.030 178.328 176.300 -0.004 0.000 1.131 116 R CA 2.726 58.818 56.100 -0.013 0.000 0.937 116 R CB -0.596 29.697 30.300 -0.013 0.000 0.863 116 R HN 0.525 nan 8.270 nan 0.000 0.435 117 D N -0.239 120.164 120.400 0.006 0.000 2.117 117 D HA -0.087 4.552 4.640 -0.001 0.000 0.198 117 D C 1.700 178.005 176.300 0.009 0.000 0.982 117 D CA 1.547 55.553 54.000 0.009 0.000 0.828 117 D CB -0.285 40.524 40.800 0.015 0.000 0.967 117 D HN 0.458 nan 8.370 nan 0.000 0.464 118 A N 0.121 122.945 122.820 0.008 0.000 2.067 118 A HA -0.073 4.247 4.320 -0.001 0.000 0.219 118 A C 2.256 179.842 177.584 0.004 0.000 1.158 118 A CA 0.617 52.658 52.037 0.007 0.000 0.661 118 A CB -0.524 18.480 19.000 0.006 0.000 0.801 118 A HN 0.189 nan 8.150 nan 0.000 0.452 119 I N -0.890 119.678 120.570 -0.003 0.000 2.233 119 I HA -0.178 3.992 4.170 -0.001 0.000 0.243 119 I C 2.553 178.675 176.117 0.009 0.000 1.093 119 I CA 1.303 62.599 61.300 -0.008 0.000 1.380 119 I CB -0.205 37.779 38.000 -0.027 0.000 1.067 119 I HN 0.369 nan 8.210 nan 0.000 0.413 120 E N 1.526 121.731 120.200 0.009 0.000 2.160 120 E HA -0.236 4.113 4.350 -0.001 0.000 0.195 120 E C 1.983 178.597 176.600 0.022 0.000 0.991 120 E CA 1.365 57.774 56.400 0.016 0.000 0.810 120 E CB 0.087 29.794 29.700 0.011 0.000 0.742 120 E HN 0.455 nan 8.360 nan 0.000 0.466 121 R N -1.325 119.187 120.500 0.020 0.000 2.317 121 R HA 0.116 4.456 4.340 -0.001 0.000 0.208 121 R C 1.154 177.471 176.300 0.029 0.000 0.914 121 R CA 0.506 56.619 56.100 0.022 0.000 1.060 121 R CB 0.435 30.745 30.300 0.017 0.000 1.015 121 R HN 0.199 nan 8.270 nan 0.000 0.498 122 G N 0.883 109.705 108.800 0.036 0.000 2.221 122 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.265 122 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.265 122 G C 0.641 175.566 174.900 0.041 0.000 1.041 122 G CA 0.336 45.466 45.100 0.051 0.000 0.807 122 G HN 0.193 nan 8.290 nan 0.000 0.502 123 V N -0.335 119.595 119.914 0.027 0.000 2.407 123 V HA 0.222 4.342 4.120 -0.001 0.000 0.245 123 V C 1.555 177.660 176.094 0.019 0.000 1.041 123 V CA 2.058 64.370 62.300 0.020 0.000 1.040 123 V CB -0.450 31.380 31.823 0.012 0.000 0.671 123 V HN 0.838 nan 8.190 nan 0.000 0.455 124 I N -2.730 117.848 120.570 0.013 0.000 2.934 124 I HA 0.585 4.755 4.170 -0.001 0.000 0.306 124 I C -1.038 175.074 176.117 -0.009 0.000 1.110 124 I CA -1.010 60.292 61.300 0.002 0.000 1.019 124 I CB 1.925 39.917 38.000 -0.014 0.000 1.227 124 I HN -0.141 nan 8.210 nan 0.000 0.434 125 N N 2.553 121.236 118.700 -0.028 0.000 2.514 125 N HA 0.708 5.447 4.740 -0.001 0.000 0.277 125 N C -0.109 175.295 175.510 -0.176 0.000 1.126 125 N CA -0.116 52.858 53.050 -0.128 0.000 0.978 125 N CB 1.615 40.027 38.487 -0.124 0.000 1.106 125 N HN 1.061 nan 8.380 nan 0.000 0.461 126 G N 1.050 109.700 108.800 -0.249 0.000 2.356 126 G HA2 0.308 4.268 3.960 -0.001 0.000 0.294 126 G HA3 0.308 4.268 3.960 -0.001 0.000 0.294 126 G C -3.313 171.490 174.900 -0.162 0.000 1.423 126 G CA -0.747 44.246 45.100 -0.178 0.000 0.806 126 G HN 0.261 nan 8.290 nan 0.000 0.527 127 P HA 0.284 nan 4.420 nan 0.000 0.274 127 P C 0.007 177.295 177.300 -0.020 0.000 1.246 127 P CA 0.045 63.126 63.100 -0.031 0.000 0.795 127 P CB 0.588 32.309 31.700 0.034 0.000 1.006 128 T N 2.318 116.878 114.554 0.009 0.000 2.775 128 T HA 0.221 4.571 4.350 -0.001 0.000 0.281 128 T C 0.627 175.317 174.700 -0.017 0.000 0.908 128 T CA 0.254 62.356 62.100 0.005 0.000 1.123 128 T CB -0.872 68.013 68.868 0.028 0.000 0.879 128 T HN 0.243 nan 8.240 nan 0.000 0.547 129 M N 3.791 123.365 119.600 -0.043 0.000 2.185 129 M HA 0.335 4.815 4.480 -0.001 0.000 0.357 129 M C -0.127 176.107 176.300 -0.111 0.000 1.260 129 M CA -0.276 54.975 55.300 -0.081 0.000 1.124 129 M CB 0.762 33.318 32.600 -0.073 0.000 1.600 129 M HN 0.317 nan 8.290 nan 0.000 0.467 130 L N 4.724 125.829 121.223 -0.197 0.000 2.265 130 L HA 0.537 4.877 4.340 -0.001 0.000 0.289 130 L C -0.366 176.398 176.870 -0.177 0.000 1.033 130 L CA -0.951 53.766 54.840 -0.206 0.000 0.814 130 L CB 0.838 42.690 42.059 -0.346 0.000 1.203 130 L HN 0.513 nan 8.230 nan 0.000 0.423 131 V N 0.186 120.039 119.914 -0.101 0.000 2.769 131 V HA 0.512 4.631 4.120 -0.001 0.000 0.312 131 V C 0.727 176.799 176.094 -0.037 0.000 1.058 131 V CA -0.114 62.144 62.300 -0.071 0.000 0.952 131 V CB 1.771 33.577 31.823 -0.030 0.000 1.019 131 V HN 0.809 nan 8.190 nan 0.000 0.445 132 S N 1.790 117.469 115.700 -0.036 0.000 2.486 132 S HA 0.492 4.962 4.470 -0.001 0.000 0.220 132 S C 1.257 175.884 174.600 0.046 0.000 1.011 132 S CA 0.641 58.838 58.200 -0.005 0.000 0.921 132 S CB -0.475 62.706 63.200 -0.031 0.000 0.785 132 S HN 2.619 nan 8.310 nan 0.000 0.517 133 G N 1.738 110.565 108.800 0.046 0.000 2.642 133 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.231 133 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.231 133 G C -3.108 171.740 174.900 -0.087 0.000 1.338 133 G CA -0.646 44.457 45.100 0.005 0.000 0.883 133 G HN 0.419 nan 8.290 nan 0.000 0.570 134 P HA 0.408 nan 4.420 nan 0.000 0.261 134 P C 0.344 177.642 177.300 -0.002 0.000 1.183 134 P CA 0.997 64.036 63.100 -0.102 0.000 0.761 134 P CB 0.468 32.086 31.700 -0.136 0.000 0.785 135 A N 5.352 128.184 122.820 0.020 0.000 2.488 135 A HA 0.193 4.512 4.320 -0.001 0.000 0.249 135 A C 0.284 177.929 177.584 0.102 0.000 1.083 135 A CA -0.229 51.849 52.037 0.069 0.000 0.768 135 A CB -0.406 18.629 19.000 0.058 0.000 1.017 135 A HN 0.496 nan 8.150 nan 0.000 0.496 136 L N 2.889 124.223 121.223 0.184 0.000 2.360 136 L HA 0.530 4.870 4.340 -0.001 0.000 0.276 136 L C 0.810 177.916 176.870 0.393 0.000 1.121 136 L CA 0.038 55.028 54.840 0.249 0.000 0.845 136 L CB 0.401 42.592 42.059 0.219 0.000 1.143 136 L HN 0.815 nan 8.230 nan 0.000 0.452 137 G N 3.090 112.049 108.800 0.264 0.000 2.660 137 G HA2 0.615 4.575 3.960 -0.001 0.000 0.294 137 G HA3 0.615 4.575 3.960 -0.001 0.000 0.294 137 G C -0.633 174.147 174.900 -0.200 0.000 1.369 137 G CA -0.852 44.287 45.100 0.065 0.000 0.912 137 G HN 0.657 nan 8.290 nan 0.000 0.479 138 I N -1.269 118.930 120.570 -0.618 0.000 2.882 138 I HA 0.404 4.574 4.170 -0.001 0.000 0.286 138 I C 0.472 176.452 176.117 -0.229 0.000 1.139 138 I CA -0.404 60.613 61.300 -0.472 0.000 1.379 138 I CB 0.468 38.134 38.000 -0.557 0.000 1.410 138 I HN 0.312 nan 8.210 nan 0.000 0.594 139 T N 4.882 119.343 114.554 -0.155 0.000 2.750 139 T HA 0.223 4.573 4.350 -0.001 0.000 0.277 139 T C 1.122 175.761 174.700 -0.100 0.000 0.996 139 T CA 1.296 63.331 62.100 -0.107 0.000 1.195 139 T CB -0.166 68.659 68.868 -0.072 0.000 0.963 139 T HN 1.258 nan 8.240 nan 0.000 0.516 140 G N 2.862 111.608 108.800 -0.091 0.000 2.148 140 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.254 140 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.254 140 G C 0.543 175.397 174.900 -0.076 0.000 0.981 140 G CA -0.042 45.016 45.100 -0.070 0.000 0.670 140 G HN 1.122 nan 8.290 nan 0.000 0.528 141 G N -1.509 107.225 108.800 -0.109 0.000 2.553 141 G HA2 0.439 4.399 3.960 -0.001 0.000 0.278 141 G HA3 0.439 4.399 3.960 -0.001 0.000 0.278 141 G C 0.673 175.533 174.900 -0.068 0.000 1.349 141 G CA 0.599 45.649 45.100 -0.084 0.000 1.037 141 G HN 0.678 nan 8.290 nan 0.000 0.508 142 H N -1.501 117.499 119.070 -0.117 0.000 2.389 142 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 142 H C 2.072 177.244 175.328 -0.261 0.000 1.081 142 H CA 1.933 57.880 56.048 -0.168 0.000 1.345 142 H CB -0.298 29.349 29.762 -0.191 0.000 1.393 142 H HN 0.384 nan 8.280 nan 0.000 0.520 143 c N 0.039 118.403 118.600 -0.393 0.000 2.688 143 c HA 0.312 4.882 4.570 -0.001 0.000 0.297 143 c C 0.527 174.379 174.090 -0.397 0.000 1.308 143 c CA -1.107 54.944 56.329 -0.462 0.000 1.726 143 c CB -1.042 41.331 42.510 -0.227 0.000 1.982 143 c HN 0.357 nan 8.230 nan 0.000 0.604 144 D N 0.744 120.935 120.400 -0.349 0.000 2.354 144 D HA 0.180 4.820 4.640 -0.001 0.000 0.247 144 D C -0.471 175.539 176.300 -0.482 0.000 1.138 144 D CA 0.174 53.988 54.000 -0.310 0.000 0.958 144 D CB 0.543 41.235 40.800 -0.179 0.000 1.144 144 D HN 0.448 nan 8.370 nan 0.000 0.458 145 H N 2.342 121.382 119.070 -0.050 0.000 2.685 145 H HA 0.235 4.791 4.556 -0.000 0.000 0.307 145 H C -0.350 175.004 175.328 0.044 0.000 1.017 145 H CA -0.490 55.563 56.048 0.008 0.000 1.237 145 H CB 0.791 30.602 29.762 0.081 0.000 1.409 145 H HN 0.221 nan 8.280 nan 0.000 0.488 146 N N 3.398 122.147 118.700 0.081 0.000 2.455 146 N HA 0.073 4.812 4.740 -0.001 0.000 0.258 146 N C 0.558 176.093 175.510 0.043 0.000 1.158 146 N CA 0.014 53.094 53.050 0.051 0.000 0.893 146 N CB 0.475 38.968 38.487 0.011 0.000 1.173 146 N HN 0.441 nan 8.380 nan 0.000 0.503 147 L N -0.241 121.010 121.223 0.046 0.000 2.818 147 L HA 0.379 4.719 4.340 -0.001 0.000 0.243 147 L C -0.218 176.615 176.870 -0.061 0.000 1.185 147 L CA 0.335 55.169 54.840 -0.010 0.000 0.988 147 L CB 0.340 42.382 42.059 -0.028 0.000 1.292 147 L HN 0.061 nan 8.230 nan 0.000 0.519 148 L N -0.433 120.770 121.223 -0.034 0.000 2.422 148 L HA 0.518 4.857 4.340 -0.001 0.000 0.264 148 L C -2.202 174.695 176.870 0.044 0.000 0.984 148 L CA -1.795 52.987 54.840 -0.097 0.000 0.819 148 L CB 2.344 44.287 42.059 -0.192 0.000 1.330 148 L HN -0.131 nan 8.230 nan 0.000 0.410 149 P HA 0.075 nan 4.420 nan 0.000 0.268 149 P C -2.025 175.419 177.300 0.240 0.000 1.208 149 P CA -0.875 62.343 63.100 0.196 0.000 0.777 149 P CB 0.052 31.918 31.700 0.277 0.000 0.875 150 P HA -0.155 nan 4.420 nan 0.000 0.223 150 P C 0.818 178.180 177.300 0.104 0.000 1.144 150 P CA 1.248 64.416 63.100 0.114 0.000 0.783 150 P CB 0.229 31.968 31.700 0.066 0.000 0.771 151 E N -0.831 119.421 120.200 0.087 0.000 2.204 151 E HA -0.122 4.228 4.350 -0.001 0.000 0.195 151 E C 1.559 178.089 176.600 -0.116 0.000 0.990 151 E CA 1.063 57.438 56.400 -0.042 0.000 0.821 151 E CB -0.852 28.770 29.700 -0.130 0.000 0.750 151 E HN 0.340 nan 8.360 nan 0.000 0.477 152 F N 0.304 120.276 119.950 0.036 0.000 2.416 152 F HA 0.063 4.589 4.527 -0.001 0.000 0.296 152 F C 0.969 176.820 175.800 0.086 0.000 1.099 152 F CA 0.602 58.635 58.000 0.054 0.000 1.427 152 F CB -0.240 38.791 39.000 0.052 0.000 1.079 152 F HN -0.033 nan 8.300 nan 0.000 0.536 153 N N -0.010 118.830 118.700 0.234 0.000 2.716 153 N HA -0.327 4.413 4.740 -0.001 0.000 0.250 153 N C -0.549 175.072 175.510 0.185 0.000 1.033 153 N CA -0.190 52.953 53.050 0.156 0.000 0.727 153 N CB -1.096 37.441 38.487 0.085 0.000 0.950 153 N HN 0.366 nan 8.380 nan 0.000 0.541 154 Y N 0.999 121.367 120.300 0.112 0.000 2.452 154 Y HA 0.344 4.894 4.550 -0.000 0.000 0.348 154 Y C -0.202 175.726 175.900 0.047 0.000 0.985 154 Y CA -0.126 58.021 58.100 0.077 0.000 1.214 154 Y CB 0.730 39.228 38.460 0.064 0.000 1.136 154 Y HN 0.000 nan 8.280 nan 0.000 0.523 155 S N 4.138 119.569 115.700 -0.448 0.000 2.525 155 S HA 0.388 4.858 4.470 -0.001 0.000 0.290 155 S C -0.300 173.728 174.600 -0.953 0.000 1.152 155 S CA -0.753 57.131 58.200 -0.527 0.000 1.072 155 S CB 0.872 63.925 63.200 -0.246 0.000 1.027 155 S HN 0.843 nan 8.310 nan 0.000 0.500 156 S N 1.515 116.820 115.700 -0.658 0.000 2.606 156 S HA 0.159 4.629 4.470 -0.001 0.000 0.257 156 S C 1.087 175.570 174.600 -0.195 0.000 1.327 156 S CA -0.402 57.575 58.200 -0.370 0.000 0.984 156 S CB 0.215 63.445 63.200 0.051 0.000 0.941 156 S HN 0.826 nan 8.310 nan 0.000 0.576 157 E N 0.742 120.896 120.200 -0.077 0.000 2.118 157 E HA -0.084 4.266 4.350 -0.001 0.000 0.195 157 E C 1.531 178.112 176.600 -0.032 0.000 0.992 157 E CA 1.146 57.515 56.400 -0.052 0.000 0.804 157 E CB -0.732 28.931 29.700 -0.062 0.000 0.741 157 E HN 0.879 nan 8.360 nan 0.000 0.458 158 G N 0.306 109.090 108.800 -0.026 0.000 3.523 158 G HA2 0.181 4.141 3.960 -0.001 0.000 0.270 158 G HA3 0.181 4.141 3.960 -0.001 0.000 0.270 158 G C -0.174 174.743 174.900 0.028 0.000 1.134 158 G CA -0.356 44.753 45.100 0.015 0.000 0.825 158 G HN 0.001 nan 8.290 nan 0.000 0.534 159 V N 1.882 121.787 119.914 -0.014 0.000 2.439 159 V HA 0.340 4.460 4.120 -0.001 0.000 0.271 159 V C 0.384 176.492 176.094 0.024 0.000 1.040 159 V CA -0.321 61.968 62.300 -0.020 0.000 1.002 159 V CB 0.676 32.449 31.823 -0.083 0.000 1.000 159 V HN 0.267 nan 8.190 nan 0.000 0.477 160 V N 1.743 121.702 119.914 0.075 0.000 2.876 160 V HA 0.726 4.846 4.120 -0.001 0.000 0.312 160 V C -0.394 175.774 176.094 0.123 0.000 1.085 160 V CA -0.679 61.688 62.300 0.112 0.000 0.945 160 V CB 2.602 34.517 31.823 0.154 0.000 1.017 160 V HN 0.668 nan 8.190 nan 0.000 0.428 161 D N 1.683 122.142 120.400 0.099 0.000 2.651 161 D HA 0.272 4.911 4.640 -0.001 0.000 0.280 161 D C 0.127 176.477 176.300 0.083 0.000 1.496 161 D CA 0.666 54.709 54.000 0.071 0.000 0.792 161 D CB 1.270 42.081 40.800 0.017 0.000 1.144 161 D HN 0.934 nan 8.370 nan 0.000 0.470 162 S N -0.889 114.869 115.700 0.096 0.000 2.588 162 S HA 0.465 4.934 4.470 -0.001 0.000 0.269 162 S C -2.650 171.954 174.600 0.007 0.000 1.157 162 S CA -0.910 57.330 58.200 0.067 0.000 0.824 162 S CB 2.639 65.897 63.200 0.098 0.000 1.126 162 S HN -0.336 nan 8.310 nan 0.000 0.464 163 P HA 0.077 nan 4.420 nan 0.000 0.216 163 P C 0.668 177.771 177.300 -0.328 0.000 1.153 163 P CA 1.097 64.014 63.100 -0.306 0.000 0.848 163 P CB -0.097 31.306 31.700 -0.495 0.000 0.787 164 W N 0.135 121.426 121.300 -0.015 0.000 2.467 164 W HA 0.027 4.686 4.660 -0.001 0.000 0.275 164 W C 2.277 178.796 176.519 -0.001 0.000 1.239 164 W CA 0.388 57.727 57.345 -0.009 0.000 1.266 164 W CB -0.559 28.899 29.460 -0.004 0.000 1.112 164 W HN 0.041 nan 8.180 nan 0.000 0.576 165 E N 0.283 120.592 120.200 0.182 0.000 2.106 165 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 165 E C 2.316 178.961 176.600 0.074 0.000 0.984 165 E CA 1.199 57.671 56.400 0.120 0.000 0.806 165 E CB -0.186 29.575 29.700 0.101 0.000 0.750 165 E HN 0.235 nan 8.360 nan 0.000 0.458 166 A N 0.968 123.796 122.820 0.015 0.000 1.872 166 A HA -0.134 4.185 4.320 -0.001 0.000 0.214 166 A C 1.995 179.542 177.584 -0.061 0.000 1.187 166 A CA 0.997 53.001 52.037 -0.055 0.000 0.614 166 A CB -0.282 18.604 19.000 -0.189 0.000 0.826 166 A HN 0.005 nan 8.150 nan 0.000 0.442 167 R N 0.125 120.584 120.500 -0.069 0.000 2.168 167 R HA -0.229 4.110 4.340 -0.001 0.000 0.242 167 R C 2.215 178.557 176.300 0.071 0.000 1.123 167 R CA 2.417 58.521 56.100 0.006 0.000 0.928 167 R CB -0.562 29.797 30.300 0.097 0.000 0.873 167 R HN 0.609 nan 8.270 nan 0.000 0.434 168 K N -0.918 119.545 120.400 0.106 0.000 2.147 168 K HA -0.165 4.155 4.320 -0.001 0.000 0.205 168 K C 1.896 178.541 176.600 0.074 0.000 1.049 168 K CA 1.679 58.025 56.287 0.097 0.000 0.936 168 K CB -0.077 32.487 32.500 0.108 0.000 0.722 168 K HN 0.058 nan 8.250 nan 0.000 0.446 169 M N 0.028 119.670 119.600 0.070 0.000 2.288 169 M HA -0.048 4.432 4.480 -0.001 0.000 0.266 169 M C 1.548 177.893 176.300 0.074 0.000 1.072 169 M CA 1.060 56.409 55.300 0.082 0.000 1.132 169 M CB 0.218 32.867 32.600 0.081 0.000 1.386 169 M HN -0.063 nan 8.290 nan 0.000 0.432 170 V N 0.314 120.255 119.914 0.044 0.000 2.295 170 V HA -0.286 3.834 4.120 -0.001 0.000 0.246 170 V C 2.325 178.425 176.094 0.009 0.000 1.049 170 V CA 1.996 64.319 62.300 0.037 0.000 1.024 170 V CB -0.663 31.177 31.823 0.028 0.000 0.648 170 V HN 0.451 nan 8.190 nan 0.000 0.447 171 R N 0.134 120.635 120.500 0.003 0.000 2.091 171 R HA -0.229 4.111 4.340 -0.001 0.000 0.238 171 R C 2.408 178.644 176.300 -0.107 0.000 1.136 171 R CA 1.946 58.002 56.100 -0.074 0.000 0.959 171 R CB -0.409 29.888 30.300 -0.006 0.000 0.856 171 R HN 0.482 nan 8.270 nan 0.000 0.437 172 K N 0.651 121.035 120.400 -0.027 0.000 2.025 172 K HA -0.136 4.184 4.320 -0.001 0.000 0.207 172 K C 1.772 178.388 176.600 0.027 0.000 1.049 172 K CA 1.522 57.800 56.287 -0.015 0.000 0.933 172 K CB 0.004 32.586 32.500 0.136 0.000 0.714 172 K HN 0.040 nan 8.250 nan 0.000 0.438 173 N N 1.011 119.801 118.700 0.150 0.000 2.061 173 N HA -0.203 4.537 4.740 -0.001 0.000 0.193 173 N C 1.778 177.320 175.510 0.054 0.000 1.030 173 N CA 1.137 54.331 53.050 0.241 0.000 0.856 173 N CB -0.285 38.331 38.487 0.215 0.000 1.023 173 N HN 0.242 nan 8.380 nan 0.000 0.424 174 R N 1.390 121.856 120.500 -0.057 0.000 2.081 174 R HA -0.104 4.236 4.340 -0.001 0.000 0.235 174 R C 2.042 178.217 176.300 -0.208 0.000 1.131 174 R CA 1.368 57.385 56.100 -0.138 0.000 0.960 174 R CB -0.129 30.017 30.300 -0.256 0.000 0.856 174 R HN 0.223 nan 8.270 nan 0.000 0.436 175 K N -0.309 119.904 120.400 -0.312 0.000 2.063 175 K HA -0.192 4.128 4.320 -0.001 0.000 0.208 175 K C 1.065 177.339 176.600 -0.543 0.000 1.048 175 K CA 1.695 57.699 56.287 -0.472 0.000 0.928 175 K CB -0.165 31.937 32.500 -0.663 0.000 0.713 175 K HN 0.315 nan 8.250 nan 0.000 0.442 176 Y N -0.672 119.431 120.300 -0.328 0.000 2.470 176 Y HA 0.206 4.756 4.550 -0.000 0.000 0.284 176 Y C 1.032 176.733 175.900 -0.331 0.000 1.188 176 Y CA -0.018 57.777 58.100 -0.509 0.000 1.269 176 Y CB 1.100 38.826 38.460 -1.223 0.000 1.094 176 Y HN 0.405 nan 8.280 nan 0.000 0.518 177 G N -0.208 108.544 108.800 -0.080 0.000 2.148 177 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.157 177 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.157 177 G C 0.100 175.012 174.900 0.020 0.000 1.012 177 G CA -0.375 44.711 45.100 -0.023 0.000 0.677 177 G HN 0.501 nan 8.290 nan 0.000 0.506 178 A N 0.011 122.859 122.820 0.047 0.000 2.371 178 A HA 0.609 4.929 4.320 -0.001 0.000 0.257 178 A C 1.084 178.683 177.584 0.025 0.000 1.089 178 A CA 0.634 52.712 52.037 0.069 0.000 0.794 178 A CB 0.427 19.499 19.000 0.120 0.000 1.029 178 A HN 0.169 nan 8.150 nan 0.000 0.488 179 D N -0.194 120.212 120.400 0.010 0.000 2.277 179 D HA 0.088 4.728 4.640 -0.001 0.000 0.209 179 D C 0.641 176.946 176.300 0.009 0.000 0.970 179 D CA 0.852 54.849 54.000 -0.004 0.000 0.874 179 D CB 0.146 40.923 40.800 -0.038 0.000 0.982 179 D HN 0.509 nan 8.370 nan 0.000 0.504 180 L N -1.522 119.707 121.223 0.009 0.000 2.397 180 L HA 0.539 4.879 4.340 -0.001 0.000 0.251 180 L C -1.192 175.705 176.870 0.045 0.000 1.064 180 L CA -0.961 53.896 54.840 0.029 0.000 0.859 180 L CB 1.409 43.470 42.059 0.003 0.000 1.468 180 L HN -0.317 nan 8.230 nan 0.000 0.411 181 I N 1.582 122.192 120.570 0.066 0.000 2.406 181 I HA 0.467 4.636 4.170 -0.001 0.000 0.290 181 I C -0.086 176.085 176.117 0.091 0.000 0.999 181 I CA -0.389 60.962 61.300 0.086 0.000 1.124 181 I CB 1.609 39.669 38.000 0.100 0.000 1.289 181 I HN 0.738 nan 8.210 nan 0.000 0.441 182 K N 7.503 127.953 120.400 0.083 0.000 2.185 182 K HA 0.610 4.930 4.320 -0.001 0.000 0.269 182 K C -1.081 175.638 176.600 0.198 0.000 0.987 182 K CA -0.268 56.063 56.287 0.073 0.000 0.865 182 K CB 1.053 33.563 32.500 0.016 0.000 1.090 182 K HN 0.382 nan 8.250 nan 0.000 0.450 183 F N 1.442 121.440 119.950 0.080 0.000 2.579 183 F HA 0.645 5.171 4.527 -0.001 0.000 0.324 183 F C -1.100 174.850 175.800 0.249 0.000 1.058 183 F CA -1.324 56.769 58.000 0.154 0.000 0.944 183 F CB 0.863 39.910 39.000 0.079 0.000 1.245 183 F HN 0.317 nan 8.300 nan 0.000 0.477 184 c N 2.577 121.468 118.600 0.485 0.000 2.325 184 c HA 0.676 5.246 4.570 -0.001 0.000 0.347 184 c C 1.272 175.714 174.090 0.588 0.000 1.263 184 c CA 0.238 56.833 56.329 0.443 0.000 1.806 184 c CB -0.145 42.563 42.510 0.330 0.000 2.405 184 c HN 1.026 nan 8.230 nan 0.000 0.537 185 A N 2.745 125.805 122.820 0.400 0.000 2.140 185 A HA 0.307 4.626 4.320 -0.001 0.000 0.209 185 A C 1.098 178.837 177.584 0.259 0.000 1.181 185 A CA 0.806 53.087 52.037 0.407 0.000 0.824 185 A CB -0.034 19.105 19.000 0.230 0.000 0.879 185 A HN 0.823 nan 8.150 nan 0.000 0.480 186 T N -4.104 110.572 114.554 0.204 0.000 2.773 186 T HA 0.627 4.976 4.350 -0.001 0.000 0.278 186 T C 0.655 175.504 174.700 0.249 0.000 1.011 186 T CA -0.134 62.059 62.100 0.154 0.000 1.014 186 T CB 0.944 69.843 68.868 0.051 0.000 1.293 186 T HN 0.512 nan 8.240 nan 0.000 0.554 187 G N -1.390 107.517 108.800 0.177 0.000 2.621 187 G HA2 0.568 4.528 3.960 -0.001 0.000 0.271 187 G HA3 0.568 4.528 3.960 -0.001 0.000 0.271 187 G C 0.067 175.084 174.900 0.196 0.000 1.236 187 G CA -0.358 44.845 45.100 0.171 0.000 0.958 187 G HN 1.080 nan 8.290 nan 0.000 0.512 188 G N -2.557 106.235 108.800 -0.014 0.000 2.694 188 G HA2 0.453 4.412 3.960 -0.001 0.000 0.290 188 G HA3 0.453 4.412 3.960 -0.001 0.000 0.290 188 G C 0.470 175.262 174.900 -0.179 0.000 1.386 188 G CA -0.064 44.857 45.100 -0.299 0.000 0.872 188 G HN 0.550 nan 8.290 nan 0.000 0.475 189 V N 0.978 120.760 119.914 -0.220 0.000 2.283 189 V HA -0.074 4.046 4.120 -0.001 0.000 0.243 189 V C 2.494 178.564 176.094 -0.041 0.000 1.039 189 V CA 1.320 63.522 62.300 -0.164 0.000 1.016 189 V CB -0.310 31.384 31.823 -0.215 0.000 0.650 189 V HN 0.581 nan 8.190 nan 0.000 0.449 190 M N 0.389 120.016 119.600 0.045 0.000 2.556 190 M HA 0.140 4.620 4.480 -0.001 0.000 0.245 190 M C 1.033 177.373 176.300 0.065 0.000 1.128 190 M CA 0.309 55.644 55.300 0.058 0.000 1.069 190 M CB -0.823 31.815 32.600 0.064 0.000 1.469 190 M HN 0.505 nan 8.290 nan 0.000 0.494 191 S N 0.618 116.391 115.700 0.123 0.000 2.632 191 S HA 0.506 4.976 4.470 -0.001 0.000 0.271 191 S C 0.175 174.796 174.600 0.035 0.000 1.260 191 S CA -0.876 57.364 58.200 0.066 0.000 1.010 191 S CB 1.980 65.242 63.200 0.104 0.000 0.965 191 S HN 0.320 nan 8.310 nan 0.000 0.534 192 R N 0.732 121.241 120.500 0.015 0.000 2.357 192 R HA 0.173 4.513 4.340 -0.001 0.000 0.296 192 R C -0.315 175.990 176.300 0.007 0.000 1.052 192 R CA 0.020 56.125 56.100 0.008 0.000 0.988 192 R CB -0.057 30.245 30.300 0.004 0.000 1.025 192 R HN 0.902 nan 8.270 nan 0.000 0.469 193 N N 1.598 120.301 118.700 0.005 0.000 2.708 193 N HA -0.169 4.571 4.740 -0.001 0.000 0.255 193 N C -1.871 173.644 175.510 0.009 0.000 1.046 193 N CA 1.483 54.535 53.050 0.004 0.000 0.715 193 N CB -0.661 37.827 38.487 0.002 0.000 0.895 193 N HN 0.740 nan 8.380 nan 0.000 0.545 194 T N -2.073 112.491 114.554 0.017 0.000 2.879 194 T HA 0.365 4.714 4.350 -0.001 0.000 0.290 194 T C -0.763 173.950 174.700 0.022 0.000 0.993 194 T CA -1.018 61.099 62.100 0.029 0.000 0.975 194 T CB 1.915 70.823 68.868 0.067 0.000 0.981 194 T HN 0.087 nan 8.240 nan 0.000 0.439 195 D N 2.907 123.322 120.400 0.025 0.000 2.352 195 D HA 0.185 4.825 4.640 -0.001 0.000 0.245 195 D C 1.468 177.793 176.300 0.043 0.000 1.224 195 D CA -0.510 53.503 54.000 0.023 0.000 0.879 195 D CB 1.108 41.919 40.800 0.018 0.000 1.057 195 D HN 0.353 nan 8.370 nan 0.000 0.491 196 V N 4.470 124.405 119.914 0.035 0.000 2.370 196 V HA -0.325 3.794 4.120 -0.001 0.000 0.252 196 V C 1.547 177.718 176.094 0.128 0.000 1.068 196 V CA 2.009 64.345 62.300 0.061 0.000 1.061 196 V CB -0.486 31.345 31.823 0.014 0.000 0.656 196 V HN 0.587 nan 8.190 nan 0.000 0.455 197 N N -0.312 118.445 118.700 0.094 0.000 2.412 197 N HA 0.266 5.006 4.740 -0.001 0.000 0.184 197 N C 0.325 175.872 175.510 0.061 0.000 1.101 197 N CA 0.539 53.637 53.050 0.081 0.000 0.881 197 N CB 0.085 38.574 38.487 0.002 0.000 0.969 197 N HN 0.500 nan 8.380 nan 0.000 0.459 198 A N 0.912 123.767 122.820 0.058 0.000 2.290 198 A HA 0.255 4.575 4.320 -0.001 0.000 0.310 198 A C 0.088 177.714 177.584 0.070 0.000 1.202 198 A CA -0.615 51.453 52.037 0.051 0.000 0.837 198 A CB 0.541 19.562 19.000 0.036 0.000 1.139 198 A HN 0.120 nan 8.150 nan 0.000 0.509 199 K N 2.319 122.762 120.400 0.071 0.000 2.451 199 K HA 0.112 4.432 4.320 -0.001 0.000 0.280 199 K C -0.280 176.373 176.600 0.088 0.000 1.020 199 K CA 0.465 56.809 56.287 0.095 0.000 1.008 199 K CB 0.239 32.795 32.500 0.094 0.000 0.917 199 K HN 0.811 nan 8.250 nan 0.000 0.478 200 Q N 2.802 122.674 119.800 0.119 0.000 2.301 200 Q HA 0.402 4.741 4.340 -0.001 0.000 0.267 200 Q C -1.054 175.041 176.000 0.159 0.000 1.035 200 Q CA -0.961 54.871 55.803 0.049 0.000 0.856 200 Q CB 1.176 29.913 28.738 -0.002 0.000 1.337 200 Q HN 0.526 nan 8.270 nan 0.000 0.450 201 F N -0.659 119.329 119.950 0.064 0.000 2.146 201 F HA -0.247 4.280 4.527 -0.001 0.000 0.469 201 F C 0.484 176.290 175.800 0.010 0.000 1.272 201 F CA 0.563 58.575 58.000 0.019 0.000 1.486 201 F CB -1.043 37.953 39.000 -0.007 0.000 3.030 201 F HN 0.660 nan 8.300 nan 0.000 0.636 202 T N 1.030 115.711 114.554 0.212 0.000 2.860 202 T HA 0.413 4.762 4.350 -0.001 0.000 0.299 202 T C 0.944 175.682 174.700 0.063 0.000 1.045 202 T CA -0.422 61.741 62.100 0.104 0.000 1.071 202 T CB 1.175 70.077 68.868 0.056 0.000 0.985 202 T HN 0.719 nan 8.240 nan 0.000 0.537 203 L N 0.847 122.088 121.223 0.031 0.000 2.081 203 L HA -0.068 4.272 4.340 -0.001 0.000 0.212 203 L C 2.763 179.589 176.870 -0.072 0.000 1.080 203 L CA 2.067 56.901 54.840 -0.010 0.000 0.754 203 L CB -0.861 41.200 42.059 0.003 0.000 0.893 203 L HN 0.990 nan 8.230 nan 0.000 0.433 204 E N -0.680 119.480 120.200 -0.067 0.000 2.085 204 E HA -0.277 4.072 4.350 -0.001 0.000 0.194 204 E C 1.997 178.484 176.600 -0.188 0.000 0.994 204 E CA 1.660 57.992 56.400 -0.113 0.000 0.801 204 E CB -0.042 29.609 29.700 -0.082 0.000 0.743 204 E HN 0.639 nan 8.360 nan 0.000 0.453 205 E N -0.269 119.830 120.200 -0.169 0.000 2.107 205 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 205 E C 2.158 178.427 176.600 -0.551 0.000 0.982 205 E CA 1.023 57.253 56.400 -0.283 0.000 0.809 205 E CB 0.006 29.663 29.700 -0.071 0.000 0.756 205 E HN 0.346 nan 8.360 nan 0.000 0.459 206 M N 0.466 119.771 119.600 -0.491 0.000 2.099 206 M HA -0.159 4.321 4.480 -0.001 0.000 0.262 206 M C 2.071 178.114 176.300 -0.428 0.000 1.067 206 M CA 1.413 56.346 55.300 -0.613 0.000 1.124 206 M CB -0.194 32.255 32.600 -0.252 0.000 1.353 206 M HN -0.053 nan 8.290 nan 0.000 0.410 207 K N 0.082 120.318 120.400 -0.273 0.000 2.283 207 K HA -0.047 4.272 4.320 -0.001 0.000 0.202 207 K C 1.969 178.411 176.600 -0.264 0.000 1.048 207 K CA 1.146 57.304 56.287 -0.215 0.000 0.948 207 K CB -0.083 32.327 32.500 -0.150 0.000 0.742 207 K HN 0.282 nan 8.250 nan 0.000 0.458 208 A N 1.328 123.947 122.820 -0.334 0.000 1.898 208 A HA -0.053 4.267 4.320 -0.001 0.000 0.214 208 A C 2.047 179.430 177.584 -0.335 0.000 1.183 208 A CA 0.763 52.584 52.037 -0.360 0.000 0.622 208 A CB -0.352 18.385 19.000 -0.439 0.000 0.824 208 A HN 0.108 nan 8.150 nan 0.000 0.444 209 I N -0.294 120.024 120.570 -0.420 0.000 2.127 209 I HA -0.255 3.914 4.170 -0.001 0.000 0.241 209 I C 2.371 178.320 176.117 -0.280 0.000 1.075 209 I CA 1.403 62.469 61.300 -0.390 0.000 1.334 209 I CB -0.360 37.241 38.000 -0.665 0.000 1.040 209 I HN 0.155 nan 8.210 nan 0.000 0.405 210 V N 0.602 120.329 119.914 -0.310 0.000 2.307 210 V HA -0.325 3.795 4.120 -0.001 0.000 0.245 210 V C 2.179 178.040 176.094 -0.390 0.000 1.045 210 V CA 2.378 64.459 62.300 -0.364 0.000 1.024 210 V CB -0.648 30.992 31.823 -0.305 0.000 0.651 210 V HN 0.457 nan 8.190 nan 0.000 0.449 211 D N -0.429 119.825 120.400 -0.242 0.000 2.123 211 D HA -0.194 4.446 4.640 -0.001 0.000 0.196 211 D C 2.254 178.496 176.300 -0.096 0.000 0.992 211 D CA 1.196 55.111 54.000 -0.142 0.000 0.833 211 D CB -0.007 40.716 40.800 -0.129 0.000 0.954 211 D HN 0.314 nan 8.370 nan 0.000 0.455 212 E N -0.299 119.839 120.200 -0.102 0.000 2.072 212 E HA -0.094 4.256 4.350 -0.001 0.000 0.191 212 E C 2.072 178.712 176.600 0.067 0.000 0.985 212 E CA 0.897 57.285 56.400 -0.020 0.000 0.801 212 E CB -0.283 29.422 29.700 0.008 0.000 0.750 212 E HN 0.355 nan 8.360 nan 0.000 0.452 213 A N 0.524 123.357 122.820 0.023 0.000 1.902 213 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 213 A C 1.866 179.565 177.584 0.192 0.000 1.181 213 A CA 1.510 53.606 52.037 0.099 0.000 0.623 213 A CB -0.850 18.169 19.000 0.032 0.000 0.818 213 A HN 0.353 nan 8.150 nan 0.000 0.443 214 H N -1.504 117.582 119.070 0.026 0.000 2.395 214 H HA -0.095 4.461 4.556 -0.001 0.000 0.299 214 H C 2.206 177.520 175.328 -0.024 0.000 1.070 214 H CA 0.785 56.839 56.048 0.010 0.000 1.356 214 H CB 0.055 29.817 29.762 0.000 0.000 1.401 214 H HN 0.526 nan 8.280 nan 0.000 0.524 215 N N 0.604 119.330 118.700 0.043 0.000 2.137 215 N HA -0.178 4.562 4.740 -0.001 0.000 0.190 215 N C 1.131 176.508 175.510 -0.222 0.000 1.017 215 N CA 1.279 54.248 53.050 -0.134 0.000 0.859 215 N CB -0.123 38.206 38.487 -0.262 0.000 1.002 215 N HN 0.450 nan 8.380 nan 0.000 0.428 216 H N -1.559 117.541 119.070 0.049 0.000 2.517 216 H HA 0.277 4.832 4.556 -0.000 0.000 0.282 216 H C 0.963 176.313 175.328 0.037 0.000 1.023 216 H CA 0.564 56.632 56.048 0.033 0.000 1.169 216 H CB -0.019 29.757 29.762 0.024 0.000 1.454 216 H HN 0.314 nan 8.280 nan 0.000 0.556 217 G N 1.738 110.612 108.800 0.123 0.000 2.198 217 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.260 217 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.260 217 G C 0.191 175.150 174.900 0.098 0.000 1.025 217 G CA 0.368 45.518 45.100 0.083 0.000 0.769 217 G HN 0.273 nan 8.290 nan 0.000 0.507 218 M N -0.844 118.845 119.600 0.149 0.000 2.367 218 M HA 0.603 5.083 4.480 -0.001 0.000 0.339 218 M C 0.479 176.898 176.300 0.198 0.000 1.177 218 M CA -0.576 54.806 55.300 0.137 0.000 1.068 218 M CB 1.417 34.092 32.600 0.125 0.000 1.602 218 M HN 0.015 nan 8.290 nan 0.000 0.457 219 K N 0.941 121.431 120.400 0.150 0.000 2.098 219 K HA 0.583 4.903 4.320 -0.001 0.000 0.257 219 K C -1.218 175.484 176.600 0.170 0.000 0.999 219 K CA -0.384 56.013 56.287 0.184 0.000 0.924 219 K CB 1.308 33.883 32.500 0.125 0.000 1.028 219 K HN 0.462 nan 8.250 nan 0.000 0.466 220 V N 1.987 122.018 119.914 0.195 0.000 2.409 220 V HA 0.556 4.676 4.120 -0.001 0.000 0.291 220 V C -0.358 175.778 176.094 0.070 0.000 1.020 220 V CA -1.224 61.153 62.300 0.128 0.000 0.848 220 V CB 1.241 33.144 31.823 0.133 0.000 0.990 220 V HN 0.846 nan 8.190 nan 0.000 0.430 221 A N 3.871 126.699 122.820 0.013 0.000 2.310 221 A HA 0.894 5.214 4.320 -0.001 0.000 0.299 221 A C 0.248 177.695 177.584 -0.228 0.000 1.147 221 A CA -0.137 51.863 52.037 -0.062 0.000 0.818 221 A CB 0.987 19.959 19.000 -0.047 0.000 1.096 221 A HN 1.450 nan 8.150 nan 0.000 0.495 222 A N 1.679 124.315 122.820 -0.306 0.000 2.335 222 A HA 0.560 4.880 4.320 -0.001 0.000 0.304 222 A C -0.440 177.005 177.584 -0.232 0.000 1.118 222 A CA -0.586 51.120 52.037 -0.552 0.000 0.757 222 A CB 0.138 18.689 19.000 -0.748 0.000 1.188 222 A HN 1.188 nan 8.150 nan 0.000 0.460 223 H N 2.181 121.139 119.070 -0.188 0.000 3.026 223 H HA 0.497 5.053 4.556 -0.000 0.000 0.289 223 H C -0.082 175.212 175.328 -0.056 0.000 1.022 223 H CA 0.969 57.013 56.048 -0.007 0.000 1.477 223 H CB 0.446 30.301 29.762 0.154 0.000 1.510 223 H HN 0.851 nan 8.280 nan 0.000 0.535 224 A N 5.945 128.456 122.820 -0.515 0.000 2.497 224 A HA 0.232 4.552 4.320 -0.001 0.000 0.280 224 A C -0.396 176.885 177.584 -0.504 0.000 1.065 224 A CA -0.741 51.024 52.037 -0.454 0.000 0.781 224 A CB 0.617 19.506 19.000 -0.186 0.000 1.289 224 A HN 0.959 nan 8.150 nan 0.000 0.415 225 H N 2.457 121.279 119.070 -0.412 0.000 2.320 225 H HA 0.080 4.635 4.556 -0.001 0.000 0.309 225 H C 1.657 176.896 175.328 -0.148 0.000 1.057 225 H CA 1.523 57.355 56.048 -0.360 0.000 1.374 225 H CB 0.190 29.709 29.762 -0.405 0.000 1.421 225 H HN 0.722 nan 8.280 nan 0.000 0.532 226 G N 0.781 109.691 108.800 0.183 0.000 2.467 226 G HA2 0.202 4.162 3.960 -0.001 0.000 0.257 226 G HA3 0.202 4.162 3.960 -0.001 0.000 0.257 226 G C 1.010 176.024 174.900 0.190 0.000 1.227 226 G CA -0.342 44.958 45.100 0.334 0.000 0.835 226 G HN 0.218 nan 8.290 nan 0.000 0.556 227 L N 2.454 123.796 121.223 0.198 0.000 2.083 227 L HA -0.046 4.294 4.340 -0.001 0.000 0.209 227 L C 2.564 179.481 176.870 0.079 0.000 1.083 227 L CA 1.549 56.465 54.840 0.126 0.000 0.752 227 L CB -0.404 41.717 42.059 0.104 0.000 0.899 227 L HN 0.647 nan 8.230 nan 0.000 0.433 228 I N -0.631 119.982 120.570 0.071 0.000 2.361 228 I HA -0.155 4.015 4.170 -0.001 0.000 0.251 228 I C 2.414 178.572 176.117 0.069 0.000 1.133 228 I CA 1.212 62.548 61.300 0.060 0.000 1.413 228 I CB -1.201 36.831 38.000 0.052 0.000 1.073 228 I HN 0.378 nan 8.210 nan 0.000 0.424 229 G N 1.070 109.916 108.800 0.075 0.000 2.464 229 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.217 229 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.217 229 G C 1.685 176.619 174.900 0.056 0.000 1.138 229 G CA 0.191 45.340 45.100 0.083 0.000 0.793 229 G HN 0.315 nan 8.290 nan 0.000 0.539 230 I N 0.395 120.985 120.570 0.033 0.000 2.202 230 I HA -0.131 4.039 4.170 -0.001 0.000 0.242 230 I C 2.717 178.853 176.117 0.033 0.000 1.091 230 I CA 1.034 62.343 61.300 0.014 0.000 1.368 230 I CB -0.201 37.806 38.000 0.010 0.000 1.058 230 I HN 0.061 nan 8.210 nan 0.000 0.410 231 K N 1.124 121.550 120.400 0.043 0.000 2.074 231 K HA -0.193 4.127 4.320 -0.001 0.000 0.209 231 K C 2.245 178.875 176.600 0.051 0.000 1.048 231 K CA 1.781 58.094 56.287 0.043 0.000 0.926 231 K CB -0.295 32.230 32.500 0.042 0.000 0.713 231 K HN 0.353 nan 8.250 nan 0.000 0.444 232 A N 1.234 124.094 122.820 0.066 0.000 1.930 232 A HA 0.028 4.348 4.320 -0.001 0.000 0.215 232 A C 2.342 179.988 177.584 0.103 0.000 1.176 232 A CA 1.398 53.483 52.037 0.081 0.000 0.632 232 A CB -0.449 18.611 19.000 0.100 0.000 0.819 232 A HN 0.312 nan 8.150 nan 0.000 0.445 233 A N 0.266 123.156 122.820 0.117 0.000 1.877 233 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 233 A C 2.095 179.734 177.584 0.090 0.000 1.186 233 A CA 1.572 53.690 52.037 0.134 0.000 0.620 233 A CB -0.635 18.391 19.000 0.044 0.000 0.822 233 A HN 0.474 nan 8.150 nan 0.000 0.443 234 I N -0.691 119.914 120.570 0.057 0.000 2.179 234 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 234 I C 2.550 178.696 176.117 0.049 0.000 1.088 234 I CA 1.872 63.201 61.300 0.048 0.000 1.357 234 I CB -0.235 37.786 38.000 0.035 0.000 1.051 234 I HN 0.313 nan 8.210 nan 0.000 0.409 235 K N 0.854 121.281 120.400 0.045 0.000 2.103 235 K HA -0.193 4.127 4.320 -0.001 0.000 0.207 235 K C 2.149 178.767 176.600 0.030 0.000 1.048 235 K CA 1.465 57.773 56.287 0.035 0.000 0.930 235 K CB -0.116 32.402 32.500 0.031 0.000 0.716 235 K HN 0.343 nan 8.250 nan 0.000 0.444 236 A N -0.104 122.739 122.820 0.038 0.000 1.969 236 A HA 0.050 4.369 4.320 -0.001 0.000 0.218 236 A C 1.356 178.949 177.584 0.015 0.000 1.169 236 A CA 1.466 53.512 52.037 0.014 0.000 0.635 236 A CB -0.361 18.656 19.000 0.028 0.000 0.810 236 A HN 0.513 nan 8.150 nan 0.000 0.445 237 G N -1.065 107.768 108.800 0.055 0.000 2.181 237 G HA2 0.047 4.007 3.960 -0.001 0.000 0.152 237 G HA3 0.047 4.007 3.960 -0.001 0.000 0.152 237 G C 0.192 175.173 174.900 0.135 0.000 1.026 237 G CA 0.156 45.309 45.100 0.089 0.000 0.699 237 G HN 1.643 nan 8.290 nan 0.000 0.497 238 V N -2.197 117.784 119.914 0.112 0.000 2.963 238 V HA 0.530 4.650 4.120 -0.001 0.000 0.306 238 V C 1.164 177.339 176.094 0.136 0.000 1.077 238 V CA 1.101 63.475 62.300 0.124 0.000 1.124 238 V CB 0.993 32.860 31.823 0.073 0.000 0.987 238 V HN 0.160 nan 8.190 nan 0.000 0.487 239 D N 1.374 121.869 120.400 0.157 0.000 2.249 239 D HA 0.115 4.755 4.640 -0.001 0.000 0.205 239 D C 0.706 177.053 176.300 0.078 0.000 0.962 239 D CA 1.386 55.460 54.000 0.124 0.000 0.860 239 D CB 0.144 41.031 40.800 0.144 0.000 0.955 239 D HN 0.952 nan 8.370 nan 0.000 0.505 240 S N -0.517 115.215 115.700 0.053 0.000 2.546 240 S HA 0.517 4.987 4.470 -0.001 0.000 0.272 240 S C -0.942 173.639 174.600 -0.032 0.000 1.140 240 S CA -1.033 57.180 58.200 0.021 0.000 0.920 240 S CB 1.854 65.079 63.200 0.041 0.000 1.083 240 S HN -0.151 nan 8.310 nan 0.000 0.476 241 V N 3.505 123.392 119.914 -0.046 0.000 2.364 241 V HA 0.398 4.518 4.120 -0.001 0.000 0.272 241 V C 0.007 176.022 176.094 -0.132 0.000 1.036 241 V CA -0.519 61.723 62.300 -0.097 0.000 0.880 241 V CB 0.827 32.600 31.823 -0.083 0.000 0.991 241 V HN 0.868 nan 8.190 nan 0.000 0.460 242 E N 4.658 124.745 120.200 -0.187 0.000 2.366 242 E HA 0.249 4.599 4.350 -0.001 0.000 0.266 242 E C 0.876 177.170 176.600 -0.510 0.000 1.051 242 E CA -0.082 56.099 56.400 -0.365 0.000 0.884 242 E CB 0.417 29.922 29.700 -0.326 0.000 1.006 242 E HN 0.834 nan 8.360 nan 0.000 0.417 243 H N 1.478 120.359 119.070 -0.315 0.000 4.955 243 H HA -0.361 4.195 4.556 -0.001 0.000 0.059 243 H C 0.804 175.935 175.328 -0.328 0.000 0.580 243 H CA 1.898 57.697 56.048 -0.414 0.000 0.969 243 H CB -1.420 27.879 29.762 -0.772 0.000 0.469 243 H HN 0.792 nan 8.280 nan 0.000 0.792 244 A N 0.305 122.991 122.820 -0.224 0.000 2.791 244 A HA -0.225 4.095 4.320 -0.001 0.000 0.292 244 A C 1.694 179.189 177.584 -0.148 0.000 1.487 244 A CA 1.658 53.601 52.037 -0.156 0.000 0.760 244 A CB -1.962 16.985 19.000 -0.089 0.000 1.031 244 A HN 0.666 nan 8.150 nan 0.000 0.503 245 S N -1.438 114.105 115.700 -0.262 0.000 2.406 245 S HA 0.122 4.591 4.470 -0.001 0.000 0.228 245 S C 0.613 174.981 174.600 -0.387 0.000 1.020 245 S CA 1.500 59.462 58.200 -0.395 0.000 0.965 245 S CB -0.161 62.686 63.200 -0.588 0.000 0.798 245 S HN 0.754 nan 8.310 nan 0.000 0.488 246 F N 1.035 120.995 119.950 0.017 0.000 2.963 246 F HA 0.490 5.016 4.527 -0.001 0.000 0.321 246 F C 0.078 175.881 175.800 0.005 0.000 1.234 246 F CA -1.637 56.367 58.000 0.008 0.000 1.296 246 F CB -0.479 38.523 39.000 0.004 0.000 0.981 246 F HN 0.038 nan 8.300 nan 0.000 0.507 247 I N 2.598 123.239 120.570 0.118 0.000 2.556 247 I HA 0.056 4.225 4.170 -0.001 0.000 0.284 247 I C 0.329 176.494 176.117 0.081 0.000 1.114 247 I CA -0.007 61.339 61.300 0.078 0.000 1.418 247 I CB 0.214 38.236 38.000 0.036 0.000 1.394 247 I HN 0.282 nan 8.210 nan 0.000 0.552 248 D N 4.208 124.648 120.400 0.066 0.000 2.494 248 D HA 0.137 4.777 4.640 -0.001 0.000 0.259 248 D C 0.292 176.614 176.300 0.038 0.000 1.109 248 D CA -0.378 53.654 54.000 0.053 0.000 1.040 248 D CB 0.873 41.701 40.800 0.047 0.000 1.175 248 D HN 0.500 nan 8.370 nan 0.000 0.584 249 D N -0.131 120.288 120.400 0.031 0.000 2.123 249 D HA -0.151 4.489 4.640 -0.001 0.000 0.196 249 D C 1.638 177.949 176.300 0.018 0.000 0.992 249 D CA 1.484 55.497 54.000 0.022 0.000 0.833 249 D CB 0.016 40.828 40.800 0.020 0.000 0.954 249 D HN 0.537 nan 8.370 nan 0.000 0.455 250 E N -0.628 119.584 120.200 0.020 0.000 2.150 250 E HA -0.108 4.242 4.350 -0.001 0.000 0.193 250 E C 1.879 178.490 176.600 0.019 0.000 0.985 250 E CA 1.485 57.895 56.400 0.017 0.000 0.814 250 E CB 0.057 29.767 29.700 0.017 0.000 0.752 250 E HN 0.440 nan 8.360 nan 0.000 0.466 251 T N -2.095 112.473 114.554 0.023 0.000 3.014 251 T HA 0.139 4.489 4.350 -0.001 0.000 0.250 251 T C 1.838 176.550 174.700 0.021 0.000 1.060 251 T CA -0.205 61.909 62.100 0.024 0.000 1.040 251 T CB -0.078 68.808 68.868 0.030 0.000 0.971 251 T HN -0.017 nan 8.240 nan 0.000 0.497 252 I N 2.295 122.877 120.570 0.020 0.000 2.163 252 I HA -0.171 3.998 4.170 -0.001 0.000 0.243 252 I C 2.142 178.265 176.117 0.010 0.000 1.085 252 I CA 1.583 62.892 61.300 0.014 0.000 1.347 252 I CB -0.295 37.712 38.000 0.011 0.000 1.044 252 I HN 0.146 nan 8.210 nan 0.000 0.408 253 D N 0.292 120.698 120.400 0.010 0.000 2.178 253 D HA -0.176 4.463 4.640 -0.001 0.000 0.201 253 D C 2.283 178.590 176.300 0.011 0.000 0.980 253 D CA 1.293 55.297 54.000 0.008 0.000 0.842 253 D CB -0.176 40.628 40.800 0.007 0.000 0.948 253 D HN 0.320 nan 8.370 nan 0.000 0.472 254 M N 0.260 119.868 119.600 0.015 0.000 2.086 254 M HA -0.131 4.348 4.480 -0.001 0.000 0.261 254 M C 2.277 178.588 176.300 0.019 0.000 1.067 254 M CA 1.485 56.795 55.300 0.018 0.000 1.116 254 M CB -0.175 32.438 32.600 0.021 0.000 1.348 254 M HN 0.000 nan 8.290 nan 0.000 0.407 255 A N 0.418 123.248 122.820 0.018 0.000 1.930 255 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 255 A C 2.035 179.630 177.584 0.018 0.000 1.175 255 A CA 1.336 53.384 52.037 0.019 0.000 0.627 255 A CB -0.834 18.177 19.000 0.017 0.000 0.815 255 A HN 0.440 nan 8.150 nan 0.000 0.443 256 I N -0.645 119.932 120.570 0.013 0.000 2.179 256 I HA -0.264 3.905 4.170 -0.001 0.000 0.242 256 I C 2.519 178.643 176.117 0.012 0.000 1.088 256 I CA 1.828 63.133 61.300 0.010 0.000 1.357 256 I CB -0.194 37.807 38.000 0.002 0.000 1.051 256 I HN 0.293 nan 8.210 nan 0.000 0.409 257 K N 0.633 121.041 120.400 0.013 0.000 2.097 257 K HA -0.125 4.195 4.320 -0.001 0.000 0.206 257 K C 1.232 177.842 176.600 0.017 0.000 1.049 257 K CA 1.290 57.585 56.287 0.013 0.000 0.933 257 K CB 0.073 32.581 32.500 0.013 0.000 0.717 257 K HN 0.308 nan 8.250 nan 0.000 0.442 258 N N 0.913 119.626 118.700 0.022 0.000 2.235 258 N HA 0.013 4.752 4.740 -0.001 0.000 0.209 258 N C -0.631 174.897 175.510 0.030 0.000 1.122 258 N CA 0.081 53.148 53.050 0.028 0.000 0.845 258 N CB 0.647 39.155 38.487 0.034 0.000 1.004 258 N HN 0.157 nan 8.380 nan 0.000 0.499 259 N N 0.889 119.604 118.700 0.025 0.000 2.725 259 N HA -0.126 4.613 4.740 -0.001 0.000 0.249 259 N C -0.875 174.655 175.510 0.034 0.000 1.103 259 N CA 0.896 53.962 53.050 0.026 0.000 0.707 259 N CB -1.443 37.057 38.487 0.022 0.000 1.043 259 N HN 0.190 nan 8.380 nan 0.000 0.553 260 T N 0.223 114.797 114.554 0.034 0.000 2.761 260 T HA 0.385 4.735 4.350 -0.001 0.000 0.296 260 T C 0.953 175.673 174.700 0.033 0.000 0.934 260 T CA -0.475 61.647 62.100 0.037 0.000 1.091 260 T CB 1.950 70.839 68.868 0.034 0.000 0.896 260 T HN -0.077 nan 8.240 nan 0.000 0.515 261 V N 4.076 124.012 119.914 0.038 0.000 2.785 261 V HA 0.339 4.459 4.120 -0.001 0.000 0.300 261 V C -0.167 175.943 176.094 0.027 0.000 1.062 261 V CA -0.843 61.481 62.300 0.040 0.000 1.029 261 V CB 1.231 33.085 31.823 0.051 0.000 1.024 261 V HN 0.574 nan 8.190 nan 0.000 0.477 262 L N 3.148 124.391 121.223 0.033 0.000 2.353 262 L HA 0.365 4.705 4.340 -0.001 0.000 0.270 262 L C 0.249 177.131 176.870 0.020 0.000 1.003 262 L CA 0.347 55.197 54.840 0.017 0.000 0.862 262 L CB 1.282 43.360 42.059 0.033 0.000 1.221 262 L HN 0.672 nan 8.230 nan 0.000 0.430 263 S N 5.493 121.177 115.700 -0.027 0.000 2.485 263 S HA 0.494 4.964 4.470 -0.001 0.000 0.312 263 S C -0.049 174.458 174.600 -0.155 0.000 1.102 263 S CA -0.479 57.690 58.200 -0.051 0.000 1.066 263 S CB -0.259 62.929 63.200 -0.020 0.000 1.102 263 S HN 0.488 nan 8.310 nan 0.000 0.519 264 M N 4.921 124.455 119.600 -0.109 0.000 2.055 264 M HA 0.231 4.711 4.480 -0.001 0.000 0.346 264 M C -0.666 175.473 176.300 -0.267 0.000 1.074 264 M CA -0.773 54.440 55.300 -0.145 0.000 1.009 264 M CB 1.044 33.663 32.600 0.030 0.000 1.423 264 M HN 0.545 nan 8.290 nan 0.000 0.410 265 D N 4.491 124.725 120.400 -0.275 0.000 2.416 265 D HA 0.117 4.757 4.640 -0.001 0.000 0.240 265 D C 0.795 176.923 176.300 -0.286 0.000 1.250 265 D CA -0.287 53.545 54.000 -0.281 0.000 0.967 265 D CB 0.032 40.704 40.800 -0.214 0.000 1.059 265 D HN 0.736 nan 8.370 nan 0.000 0.512 266 I N -2.370 117.967 120.570 -0.388 0.000 3.968 266 I HA 0.206 4.375 4.170 -0.001 0.000 0.328 266 I C 1.349 177.237 176.117 -0.382 0.000 1.290 266 I CA -0.572 60.475 61.300 -0.421 0.000 1.163 266 I CB -0.177 37.440 38.000 -0.637 0.000 1.024 266 I HN 0.094 nan 8.210 nan 0.000 0.413 267 F N 1.593 121.166 119.950 -0.628 0.000 2.187 267 F HA 0.069 4.595 4.527 -0.001 0.000 0.295 267 F C 2.092 177.499 175.800 -0.654 0.000 1.091 267 F CA 1.297 58.705 58.000 -0.986 0.000 1.308 267 F CB -0.346 38.050 39.000 -1.007 0.000 1.030 267 F HN -0.069 nan 8.300 nan 0.000 0.487 268 V N -0.436 119.041 119.914 -0.728 0.000 2.759 268 V HA -0.174 3.946 4.120 -0.001 0.000 0.256 268 V C 2.456 178.273 176.094 -0.461 0.000 1.080 268 V CA 2.010 63.888 62.300 -0.703 0.000 1.101 268 V CB -0.671 31.049 31.823 -0.172 0.000 0.698 268 V HN 0.551 nan 8.190 nan 0.000 0.477 269 S N -0.131 115.351 115.700 -0.364 0.000 2.442 269 S HA -0.195 4.274 4.470 -0.001 0.000 0.236 269 S C 1.497 175.968 174.600 -0.214 0.000 1.007 269 S CA 1.844 59.905 58.200 -0.233 0.000 0.965 269 S CB -0.409 62.679 63.200 -0.186 0.000 0.773 269 S HN 0.781 nan 8.310 nan 0.000 0.504 270 D N -0.747 119.470 120.400 -0.305 0.000 2.234 270 D HA 0.029 4.669 4.640 -0.001 0.000 0.205 270 D C 1.324 177.499 176.300 -0.208 0.000 0.962 270 D CA 0.581 54.464 54.000 -0.195 0.000 0.855 270 D CB -0.236 40.517 40.800 -0.078 0.000 0.951 270 D HN 0.582 nan 8.370 nan 0.000 0.500 271 Y N 0.902 120.921 120.300 -0.468 0.000 2.184 271 Y HA -0.057 4.492 4.550 -0.001 0.000 0.290 271 Y C 1.887 177.686 175.900 -0.169 0.000 1.129 271 Y CA 1.282 59.202 58.100 -0.301 0.000 1.144 271 Y CB -0.177 38.085 38.460 -0.329 0.000 0.995 271 Y HN -0.122 nan 8.280 nan 0.000 0.513 272 I N -0.190 120.292 120.570 -0.145 0.000 2.163 272 I HA -0.303 3.867 4.170 -0.001 0.000 0.240 272 I C 2.209 178.209 176.117 -0.195 0.000 1.081 272 I CA 1.367 62.571 61.300 -0.159 0.000 1.353 272 I CB -0.442 37.523 38.000 -0.058 0.000 1.054 272 I HN 0.196 nan 8.210 nan 0.000 0.407 273 L N 0.130 121.263 121.223 -0.151 0.000 2.156 273 L HA -0.034 4.305 4.340 -0.001 0.000 0.208 273 L C 2.358 179.151 176.870 -0.129 0.000 1.095 273 L CA 1.144 55.912 54.840 -0.120 0.000 0.770 273 L CB -1.154 40.855 42.059 -0.085 0.000 0.914 273 L HN 0.321 nan 8.230 nan 0.000 0.439 274 G N -0.709 107.999 108.800 -0.154 0.000 2.561 274 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.208 274 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.208 274 G C 0.983 175.762 174.900 -0.202 0.000 1.510 274 G CA -0.144 44.873 45.100 -0.137 0.000 0.941 274 G HN 0.125 nan 8.290 nan 0.000 0.478 275 E N 1.247 121.270 120.200 -0.295 0.000 2.320 275 E HA 0.138 4.488 4.350 -0.001 0.000 0.189 275 E C 1.549 177.801 176.600 -0.579 0.000 1.100 275 E CA 0.180 56.381 56.400 -0.332 0.000 1.009 275 E CB 0.380 29.964 29.700 -0.192 0.000 1.145 275 E HN 0.383 nan 8.360 nan 0.000 0.454 276 G N -0.384 108.070 108.800 -0.576 0.000 2.692 276 G HA2 0.085 4.044 3.960 -0.001 0.000 0.201 276 G HA3 0.085 4.044 3.960 -0.001 0.000 0.201 276 G C 1.464 176.218 174.900 -0.243 0.000 1.063 276 G CA 0.524 45.310 45.100 -0.523 0.000 0.790 276 G HN 0.256 nan 8.290 nan 0.000 0.599 277 A N 1.038 123.740 122.820 -0.196 0.000 1.930 277 A HA 0.070 4.390 4.320 -0.001 0.000 0.217 277 A C 2.127 179.652 177.584 -0.099 0.000 1.175 277 A CA 1.908 53.872 52.037 -0.122 0.000 0.627 277 A CB -0.275 18.664 19.000 -0.102 0.000 0.815 277 A HN 0.223 nan 8.150 nan 0.000 0.443 278 K N -0.078 120.257 120.400 -0.108 0.000 2.097 278 K HA -0.010 4.310 4.320 -0.001 0.000 0.205 278 K C 1.129 177.686 176.600 -0.072 0.000 1.050 278 K CA 1.223 57.462 56.287 -0.079 0.000 0.938 278 K CB -0.198 32.258 32.500 -0.074 0.000 0.718 278 K HN 0.361 nan 8.250 nan 0.000 0.442 279 A N -0.060 122.702 122.820 -0.097 0.000 3.012 279 A HA 0.406 4.725 4.320 -0.001 0.000 0.295 279 A C 0.679 178.231 177.584 -0.054 0.000 1.338 279 A CA 0.390 52.387 52.037 -0.066 0.000 0.981 279 A CB -0.176 18.786 19.000 -0.063 0.000 1.091 279 A HN 0.411 nan 8.150 nan 0.000 0.602 280 G N -0.436 108.331 108.800 -0.055 0.000 2.157 280 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.239 280 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.239 280 G C 0.113 174.987 174.900 -0.043 0.000 0.982 280 G CA 0.076 45.150 45.100 -0.043 0.000 0.650 280 G HN 0.507 nan 8.290 nan 0.000 0.527 281 I N 1.712 122.251 120.570 -0.051 0.000 2.556 281 I HA 0.212 4.382 4.170 -0.001 0.000 0.284 281 I C 1.407 177.496 176.117 -0.046 0.000 1.114 281 I CA -0.429 60.844 61.300 -0.046 0.000 1.418 281 I CB 0.472 38.440 38.000 -0.053 0.000 1.394 281 I HN 0.118 nan 8.210 nan 0.000 0.552 282 R N 4.157 124.635 120.500 -0.038 0.000 2.694 282 R HA 0.003 4.343 4.340 -0.001 0.000 0.268 282 R C 0.862 177.140 176.300 -0.037 0.000 1.061 282 R CA -0.398 55.681 56.100 -0.034 0.000 1.133 282 R CB 0.510 30.793 30.300 -0.028 0.000 1.020 282 R HN 0.517 nan 8.270 nan 0.000 0.475 283 E N 1.595 121.775 120.200 -0.034 0.000 2.208 283 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 283 E C 1.471 178.051 176.600 -0.033 0.000 0.988 283 E CA 1.216 57.595 56.400 -0.035 0.000 0.828 283 E CB 0.114 29.796 29.700 -0.030 0.000 0.763 283 E HN 0.591 nan 8.360 nan 0.000 0.478 284 E N -0.539 119.644 120.200 -0.029 0.000 2.110 284 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 284 E C 1.748 178.328 176.600 -0.033 0.000 0.988 284 E CA 1.223 57.607 56.400 -0.027 0.000 0.804 284 E CB 0.008 29.696 29.700 -0.020 0.000 0.745 284 E HN 0.166 nan 8.360 nan 0.000 0.458 285 S N 0.436 116.115 115.700 -0.035 0.000 2.383 285 S HA -0.070 4.399 4.470 -0.001 0.000 0.227 285 S C 1.948 176.513 174.600 -0.058 0.000 1.026 285 S CA 0.613 58.786 58.200 -0.044 0.000 0.981 285 S CB -0.074 63.105 63.200 -0.036 0.000 0.818 285 S HN 0.232 nan 8.310 nan 0.000 0.472 286 L N 1.667 122.858 121.223 -0.055 0.000 2.093 286 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 286 L C 2.069 178.905 176.870 -0.057 0.000 1.085 286 L CA 0.774 55.578 54.840 -0.060 0.000 0.755 286 L CB -0.540 41.484 42.059 -0.058 0.000 0.904 286 L HN 0.223 nan 8.230 nan 0.000 0.435 287 N N 0.178 118.850 118.700 -0.048 0.000 2.244 287 N HA -0.141 4.598 4.740 -0.001 0.000 0.183 287 N C 1.707 177.190 175.510 -0.046 0.000 1.016 287 N CA 1.075 54.100 53.050 -0.041 0.000 0.866 287 N CB -0.063 38.404 38.487 -0.033 0.000 0.980 287 N HN 0.346 nan 8.380 nan 0.000 0.430 288 K N 0.462 120.826 120.400 -0.060 0.000 2.155 288 K HA -0.075 4.244 4.320 -0.001 0.000 0.203 288 K C 1.631 178.161 176.600 -0.116 0.000 1.052 288 K CA 0.637 56.876 56.287 -0.081 0.000 0.948 288 K CB 0.107 32.549 32.500 -0.097 0.000 0.728 288 K HN 0.012 nan 8.250 nan 0.000 0.448 289 E N 1.471 121.604 120.200 -0.111 0.000 2.106 289 E HA -0.107 4.242 4.350 -0.001 0.000 0.192 289 E C 1.688 178.233 176.600 -0.091 0.000 0.984 289 E CA 1.281 57.606 56.400 -0.125 0.000 0.806 289 E CB 0.103 29.738 29.700 -0.108 0.000 0.750 289 E HN 0.124 nan 8.360 nan 0.000 0.458 290 R N -0.515 119.948 120.500 -0.061 0.000 2.120 290 R HA -0.081 4.258 4.340 -0.001 0.000 0.234 290 R C 2.137 178.432 176.300 -0.009 0.000 1.123 290 R CA 0.940 57.019 56.100 -0.035 0.000 0.975 290 R CB -0.264 30.019 30.300 -0.028 0.000 0.866 290 R HN 0.171 nan 8.270 nan 0.000 0.446 291 L N -0.351 120.872 121.223 0.000 0.000 2.141 291 L HA -0.122 4.218 4.340 -0.001 0.000 0.209 291 L C 2.004 178.984 176.870 0.184 0.000 1.094 291 L CA 1.316 56.199 54.840 0.072 0.000 0.763 291 L CB -0.003 42.099 42.059 0.071 0.000 0.908 291 L HN -0.034 nan 8.230 nan 0.000 0.437 292 V N -1.756 118.171 119.914 0.023 0.000 2.581 292 V HA 0.108 4.228 4.120 -0.001 0.000 0.240 292 V C 2.318 178.335 176.094 -0.127 0.000 1.054 292 V CA 1.212 63.434 62.300 -0.131 0.000 1.076 292 V CB -0.468 31.125 31.823 -0.384 0.000 0.748 292 V HN 0.443 nan 8.190 nan 0.000 0.474 293 G N -0.442 108.292 108.800 -0.110 0.000 2.433 293 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.216 293 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.216 293 G C 1.624 176.438 174.900 -0.144 0.000 1.186 293 G CA 0.954 45.971 45.100 -0.137 0.000 0.779 293 G HN 0.369 nan 8.290 nan 0.000 0.543 294 K N 0.243 120.597 120.400 -0.077 0.000 2.155 294 K HA -0.006 4.314 4.320 -0.001 0.000 0.203 294 K C 2.424 178.976 176.600 -0.079 0.000 1.052 294 K CA 1.098 57.344 56.287 -0.069 0.000 0.948 294 K CB -0.052 32.464 32.500 0.026 0.000 0.728 294 K HN 0.187 nan 8.250 nan 0.000 0.448 295 K N 1.039 121.438 120.400 -0.001 0.000 2.217 295 K HA -0.124 4.195 4.320 -0.001 0.000 0.202 295 K C 2.045 178.638 176.600 -0.012 0.000 1.051 295 K CA 1.040 57.369 56.287 0.071 0.000 0.952 295 K CB 0.095 32.763 32.500 0.279 0.000 0.736 295 K HN 0.132 nan 8.250 nan 0.000 0.453 296 Q N -0.039 119.685 119.800 -0.127 0.000 2.079 296 Q HA -0.137 4.203 4.340 -0.001 0.000 0.200 296 Q C 1.816 177.702 176.000 -0.191 0.000 0.974 296 Q CA 1.376 57.077 55.803 -0.171 0.000 0.840 296 Q CB 0.130 28.738 28.738 -0.217 0.000 0.898 296 Q HN 0.221 nan 8.270 nan 0.000 0.430 297 R N 0.027 120.285 120.500 -0.403 0.000 2.090 297 R HA -0.082 4.258 4.340 -0.001 0.000 0.228 297 R C 2.121 178.133 176.300 -0.481 0.000 1.110 297 R CA 1.445 57.075 56.100 -0.783 0.000 0.973 297 R CB 0.030 29.279 30.300 -1.753 0.000 0.869 297 R HN 0.329 nan 8.270 nan 0.000 0.440 298 E N 0.246 120.296 120.200 -0.250 0.000 2.077 298 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 298 E C 1.484 178.157 176.600 0.121 0.000 0.989 298 E CA 0.900 57.361 56.400 0.102 0.000 0.800 298 E CB 0.016 29.791 29.700 0.125 0.000 0.746 298 E HN 0.297 nan 8.360 nan 0.000 0.452 299 N N 0.141 118.883 118.700 0.071 0.000 2.409 299 N HA -0.101 4.639 4.740 -0.001 0.000 0.179 299 N C 1.508 177.080 175.510 0.102 0.000 1.032 299 N CA 0.465 53.564 53.050 0.082 0.000 0.898 299 N CB -0.136 38.392 38.487 0.068 0.000 0.971 299 N HN 0.130 nan 8.380 nan 0.000 0.441 300 F N 1.637 121.565 119.950 -0.036 0.000 2.102 300 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 300 F C 2.445 178.306 175.800 0.102 0.000 1.105 300 F CA 1.130 59.128 58.000 -0.003 0.000 1.239 300 F CB -0.300 38.653 39.000 -0.078 0.000 0.991 300 F HN -0.111 nan 8.300 nan 0.000 0.474 301 M N 0.532 120.197 119.600 0.110 0.000 2.065 301 M HA -0.269 4.210 4.480 -0.001 0.000 0.259 301 M C 2.064 178.382 176.300 0.030 0.000 1.069 301 M CA 2.352 57.709 55.300 0.095 0.000 1.110 301 M CB -0.567 32.235 32.600 0.338 0.000 1.328 301 M HN 0.267 nan 8.290 nan 0.000 0.405 302 N N 0.223 118.958 118.700 0.060 0.000 2.223 302 N HA -0.080 4.659 4.740 -0.001 0.000 0.185 302 N C 1.467 176.975 175.510 -0.004 0.000 1.016 302 N CA 1.675 54.746 53.050 0.035 0.000 0.863 302 N CB -0.165 38.354 38.487 0.054 0.000 0.983 302 N HN 0.464 nan 8.380 nan 0.000 0.429 303 A N -0.714 122.091 122.820 -0.026 0.000 1.898 303 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 303 A C 2.160 179.711 177.584 -0.055 0.000 1.181 303 A CA 1.770 53.784 52.037 -0.038 0.000 0.620 303 A CB -1.074 17.907 19.000 -0.032 0.000 0.819 303 A HN 0.577 nan 8.150 nan 0.000 0.442 304 H N -0.225 118.709 119.070 -0.227 0.000 2.326 304 H HA 0.016 4.572 4.556 -0.001 0.000 0.301 304 H C 2.220 177.487 175.328 -0.102 0.000 1.081 304 H CA 1.879 57.806 56.048 -0.203 0.000 1.334 304 H CB -0.069 29.499 29.762 -0.323 0.000 1.385 304 H HN 0.349 nan 8.280 nan 0.000 0.504 305 R N 0.066 120.474 120.500 -0.153 0.000 2.115 305 R HA -0.016 4.324 4.340 -0.001 0.000 0.230 305 R C 2.332 178.553 176.300 -0.131 0.000 1.111 305 R CA 1.159 57.165 56.100 -0.157 0.000 0.976 305 R CB -0.075 30.199 30.300 -0.044 0.000 0.870 305 R HN 0.379 nan 8.270 nan 0.000 0.445 306 R N -0.641 119.805 120.500 -0.090 0.000 2.236 306 R HA 0.002 4.341 4.340 -0.001 0.000 0.208 306 R C 0.930 177.185 176.300 -0.074 0.000 1.036 306 R CA 0.815 56.877 56.100 -0.063 0.000 1.001 306 R CB 0.390 30.672 30.300 -0.032 0.000 0.896 306 R HN 0.435 nan 8.270 nan 0.000 0.464 307 G N -0.299 108.436 108.800 -0.108 0.000 2.151 307 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.140 307 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.140 307 G C -0.029 174.839 174.900 -0.054 0.000 1.020 307 G CA -0.221 44.813 45.100 -0.110 0.000 0.688 307 G HN 0.436 nan 8.290 nan 0.000 0.500 308 A N 0.091 122.892 122.820 -0.033 0.000 2.407 308 A HA 0.694 5.014 4.320 -0.001 0.000 0.248 308 A C 0.671 178.276 177.584 0.035 0.000 1.082 308 A CA -0.085 51.954 52.037 0.003 0.000 0.785 308 A CB 0.231 19.235 19.000 0.007 0.000 1.020 308 A HN 0.827 nan 8.150 nan 0.000 0.489 309 I N 2.228 122.823 120.570 0.041 0.000 2.505 309 I HA 0.096 4.266 4.170 -0.001 0.000 0.287 309 I C -0.247 175.914 176.117 0.074 0.000 1.104 309 I CA 0.801 62.138 61.300 0.062 0.000 1.387 309 I CB 0.001 38.030 38.000 0.048 0.000 1.404 309 I HN 0.390 nan 8.210 nan 0.000 0.528 310 I N 6.213 126.846 120.570 0.105 0.000 2.404 310 I HA 0.342 4.512 4.170 -0.001 0.000 0.293 310 I C 0.549 176.750 176.117 0.141 0.000 0.992 310 I CA -0.386 60.992 61.300 0.130 0.000 1.149 310 I CB 1.857 39.964 38.000 0.178 0.000 1.315 310 I HN 0.593 nan 8.210 nan 0.000 0.446 311 T N 1.555 116.184 114.554 0.124 0.000 2.910 311 T HA 0.451 4.801 4.350 -0.001 0.000 0.279 311 T C -0.487 174.320 174.700 0.177 0.000 0.989 311 T CA -0.555 61.627 62.100 0.138 0.000 0.968 311 T CB 1.362 70.282 68.868 0.086 0.000 1.135 311 T HN 0.264 nan 8.240 nan 0.000 0.562 312 F N 1.451 121.425 119.950 0.040 0.000 2.377 312 F HA 0.582 5.108 4.527 -0.001 0.000 0.360 312 F C 0.477 176.297 175.800 0.034 0.000 1.147 312 F CA -0.396 57.611 58.000 0.011 0.000 1.170 312 F CB -0.372 38.640 39.000 0.019 0.000 1.339 312 F HN 0.870 nan 8.300 nan 0.000 0.552 313 G N 2.282 110.951 108.800 -0.218 0.000 2.448 313 G HA2 0.436 4.395 3.960 -0.001 0.000 0.324 313 G HA3 0.436 4.395 3.960 -0.001 0.000 0.324 313 G C 0.204 174.881 174.900 -0.371 0.000 1.203 313 G CA -0.173 44.821 45.100 -0.176 0.000 0.954 313 G HN 0.552 nan 8.290 nan 0.000 0.480 314 T N -2.201 112.229 114.554 -0.206 0.000 2.955 314 T HA 0.159 4.509 4.350 -0.001 0.000 0.251 314 T C 0.710 175.470 174.700 0.101 0.000 1.002 314 T CA 0.710 62.755 62.100 -0.092 0.000 0.970 314 T CB 0.159 69.078 68.868 0.085 0.000 1.091 314 T HN 0.493 nan 8.240 nan 0.000 0.495 315 D N 2.196 122.630 120.400 0.056 0.000 2.686 315 D HA -0.141 4.498 4.640 -0.001 0.000 0.235 315 D C 0.316 176.562 176.300 -0.089 0.000 1.160 315 D CA 0.746 54.846 54.000 0.167 0.000 0.645 315 D CB -1.293 39.594 40.800 0.146 0.000 1.039 315 D HN 0.862 nan 8.370 nan 0.000 0.423 316 A N -0.513 122.082 122.820 -0.375 0.000 2.483 316 A HA 0.522 4.842 4.320 -0.001 0.000 0.238 316 A C 1.792 178.884 177.584 -0.820 0.000 1.070 316 A CA 1.318 52.680 52.037 -1.124 0.000 0.770 316 A CB 0.603 19.069 19.000 -0.891 0.000 1.008 316 A HN 1.159 nan 8.150 nan 0.000 0.497 317 G N 0.562 108.641 108.800 -1.201 0.000 2.424 317 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.207 317 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.207 317 G C 1.067 175.702 174.900 -0.441 0.000 1.061 317 G CA 0.346 45.081 45.100 -0.607 0.000 0.657 317 G HN 0.645 nan 8.290 nan 0.000 0.508 318 I N 1.624 121.957 120.570 -0.394 0.000 2.045 318 I HA 0.087 4.257 4.170 -0.001 0.000 0.233 318 I C 2.066 177.874 176.117 -0.514 0.000 1.048 318 I CA 1.836 62.977 61.300 -0.266 0.000 1.313 318 I CB -0.738 37.213 38.000 -0.081 0.000 1.043 318 I HN 0.400 nan 8.210 nan 0.000 0.393 319 F N 1.221 120.690 119.950 -0.801 0.000 2.390 319 F HA 0.349 4.876 4.527 -0.000 0.000 0.307 319 F C 0.012 175.472 175.800 -0.567 0.000 1.227 319 F CA -1.412 55.922 58.000 -1.111 0.000 1.179 319 F CB -0.390 38.096 39.000 -0.858 0.000 1.280 319 F HN -0.083 nan 8.300 nan 0.000 0.548 320 D N 0.245 120.524 120.400 -0.202 0.000 2.425 320 D HA 0.059 4.699 4.640 -0.001 0.000 0.247 320 D C -0.045 176.131 176.300 -0.207 0.000 1.147 320 D CA 0.226 54.140 54.000 -0.143 0.000 0.879 320 D CB -0.034 40.802 40.800 0.059 0.000 1.179 320 D HN 0.386 nan 8.370 nan 0.000 0.456 321 H N 1.240 120.220 119.070 -0.149 0.000 2.886 321 H HA 0.299 4.855 4.556 -0.001 0.000 0.329 321 H C 1.553 176.884 175.328 0.006 0.000 1.044 321 H CA 1.169 57.148 56.048 -0.115 0.000 1.456 321 H CB 0.991 30.701 29.762 -0.086 0.000 1.464 321 H HN 0.742 nan 8.280 nan 0.000 0.573 322 G N 3.725 112.613 108.800 0.148 0.000 2.307 322 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.210 322 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.210 322 G C 0.555 175.563 174.900 0.181 0.000 1.005 322 G CA 0.034 45.230 45.100 0.160 0.000 0.634 322 G HN 0.533 nan 8.290 nan 0.000 0.496 323 D N 1.150 121.674 120.400 0.207 0.000 2.395 323 D HA 0.213 4.852 4.640 -0.001 0.000 0.226 323 D C 1.737 178.140 176.300 0.172 0.000 1.146 323 D CA -0.038 54.077 54.000 0.191 0.000 0.830 323 D CB -0.146 40.782 40.800 0.214 0.000 0.958 323 D HN 0.435 nan 8.370 nan 0.000 0.501 324 N N 1.154 119.990 118.700 0.226 0.000 2.166 324 N HA -0.137 4.602 4.740 -0.001 0.000 0.186 324 N C 1.630 177.250 175.510 0.183 0.000 1.019 324 N CA 1.181 54.319 53.050 0.147 0.000 0.856 324 N CB -0.151 38.131 38.487 -0.341 0.000 0.993 324 N HN 0.143 nan 8.380 nan 0.000 0.426 325 A N 0.475 123.512 122.820 0.361 0.000 2.235 325 A HA 0.031 4.351 4.320 -0.001 0.000 0.208 325 A C 1.661 179.416 177.584 0.285 0.000 1.172 325 A CA 0.437 52.801 52.037 0.546 0.000 0.786 325 A CB -0.226 19.168 19.000 0.657 0.000 0.804 325 A HN 0.165 nan 8.150 nan 0.000 0.479 326 K N -0.528 119.803 120.400 -0.114 0.000 2.283 326 K HA -0.156 4.164 4.320 -0.001 0.000 0.202 326 K C 1.977 178.378 176.600 -0.333 0.000 1.048 326 K CA 1.232 57.317 56.287 -0.338 0.000 0.948 326 K CB -0.032 31.966 32.500 -0.835 0.000 0.742 326 K HN 0.665 nan 8.250 nan 0.000 0.458 327 Q N -0.052 119.504 119.800 -0.407 0.000 2.291 327 Q HA -0.119 4.221 4.340 -0.001 0.000 0.205 327 Q C 1.378 177.457 176.000 0.131 0.000 0.970 327 Q CA 0.998 56.665 55.803 -0.227 0.000 0.876 327 Q CB 0.044 28.485 28.738 -0.495 0.000 0.935 327 Q HN 0.177 nan 8.270 nan 0.000 0.455 328 F N 0.142 120.284 119.950 0.321 0.000 2.126 328 F HA -0.195 4.332 4.527 -0.001 0.000 0.299 328 F C 2.348 178.273 175.800 0.207 0.000 1.096 328 F CA 1.202 59.366 58.000 0.274 0.000 1.255 328 F CB -0.874 38.218 39.000 0.153 0.000 0.997 328 F HN 0.174 nan 8.300 nan 0.000 0.479 329 A N -0.909 122.133 122.820 0.370 0.000 1.883 329 A HA -0.258 4.062 4.320 -0.001 0.000 0.217 329 A C 2.014 179.726 177.584 0.213 0.000 1.186 329 A CA 1.659 53.834 52.037 0.229 0.000 0.624 329 A CB -1.565 17.527 19.000 0.153 0.000 0.822 329 A HN 0.486 nan 8.150 nan 0.000 0.444 330 Y N -1.048 119.348 120.300 0.160 0.000 2.574 330 Y HA -0.050 4.500 4.550 -0.000 0.000 0.294 330 Y C 2.379 178.429 175.900 0.251 0.000 1.142 330 Y CA 1.172 59.400 58.100 0.214 0.000 1.314 330 Y CB -0.198 38.349 38.460 0.145 0.000 0.991 330 Y HN 0.256 nan 8.280 nan 0.000 0.555 331 M N -1.246 118.562 119.600 0.347 0.000 2.534 331 M HA -0.060 4.420 4.480 -0.001 0.000 0.263 331 M C 2.124 178.639 176.300 0.359 0.000 1.152 331 M CA 0.623 56.136 55.300 0.355 0.000 1.145 331 M CB 0.164 32.963 32.600 0.331 0.000 1.333 331 M HN 0.237 nan 8.290 nan 0.000 0.477 332 V N -2.167 117.901 119.914 0.256 0.000 2.591 332 V HA -0.094 4.026 4.120 -0.001 0.000 0.249 332 V C 1.880 178.041 176.094 0.113 0.000 1.053 332 V CA 1.806 64.205 62.300 0.166 0.000 1.068 332 V CB -0.792 31.099 31.823 0.113 0.000 0.689 332 V HN 0.322 nan 8.190 nan 0.000 0.462 333 E N 0.749 121.000 120.200 0.085 0.000 2.085 333 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 333 E C 1.454 177.953 176.600 -0.168 0.000 0.994 333 E CA 2.128 58.468 56.400 -0.099 0.000 0.801 333 E CB -0.511 29.083 29.700 -0.177 0.000 0.743 333 E HN 0.822 nan 8.360 nan 0.000 0.453 334 W N -0.848 120.564 121.300 0.186 0.000 3.223 334 W HA 0.429 5.088 4.660 -0.001 0.000 0.389 334 W C 0.683 177.372 176.519 0.284 0.000 1.118 334 W CA 0.352 57.862 57.345 0.276 0.000 1.902 334 W CB 0.895 30.587 29.460 0.387 0.000 1.094 334 W HN 0.270 nan 8.180 nan 0.000 0.666 335 G N 0.175 109.167 108.800 0.320 0.000 2.147 335 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.128 335 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.128 335 G C -0.190 174.784 174.900 0.122 0.000 1.026 335 G CA -0.859 44.350 45.100 0.182 0.000 0.693 335 G HN 0.065 nan 8.290 nan 0.000 0.499 336 M N 1.995 121.628 119.600 0.055 0.000 2.423 336 M HA 0.465 4.945 4.480 -0.001 0.000 0.335 336 M C 1.250 177.588 176.300 0.062 0.000 1.177 336 M CA -0.384 54.870 55.300 -0.075 0.000 1.038 336 M CB 1.421 33.912 32.600 -0.181 0.000 1.641 336 M HN 0.381 nan 8.290 nan 0.000 0.455 337 T N -0.802 113.800 114.554 0.080 0.000 2.926 337 T HA 0.168 4.518 4.350 -0.001 0.000 0.307 337 T C -2.143 172.598 174.700 0.069 0.000 1.059 337 T CA -1.331 60.812 62.100 0.072 0.000 1.122 337 T CB 0.339 69.249 68.868 0.070 0.000 0.972 337 T HN 0.400 nan 8.240 nan 0.000 0.545 338 P HA -0.087 nan 4.420 nan 0.000 0.217 338 P C 1.592 178.908 177.300 0.026 0.000 1.148 338 P CA 0.349 63.476 63.100 0.044 0.000 0.828 338 P CB -0.040 31.667 31.700 0.012 0.000 0.783 339 L N 0.227 121.463 121.223 0.021 0.000 2.046 339 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 339 L C 2.038 178.933 176.870 0.042 0.000 1.077 339 L CA 1.945 56.794 54.840 0.014 0.000 0.747 339 L CB -1.212 40.854 42.059 0.010 0.000 0.896 339 L HN -0.084 nan 8.230 nan 0.000 0.432 340 E N -0.627 119.613 120.200 0.067 0.000 2.153 340 E HA -0.184 4.166 4.350 -0.001 0.000 0.194 340 E C 2.158 178.825 176.600 0.112 0.000 0.988 340 E CA 0.971 57.423 56.400 0.087 0.000 0.811 340 E CB -0.248 29.505 29.700 0.089 0.000 0.746 340 E HN 0.664 nan 8.360 nan 0.000 0.466 341 A N 0.959 123.865 122.820 0.143 0.000 1.898 341 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 341 A C 2.123 179.899 177.584 0.320 0.000 1.181 341 A CA 0.990 53.192 52.037 0.275 0.000 0.620 341 A CB -0.416 18.791 19.000 0.344 0.000 0.819 341 A HN 0.147 nan 8.150 nan 0.000 0.442 342 I N -1.015 119.634 120.570 0.131 0.000 2.406 342 I HA -0.230 3.939 4.170 -0.001 0.000 0.249 342 I C 2.651 178.799 176.117 0.051 0.000 1.122 342 I CA 1.057 62.374 61.300 0.027 0.000 1.431 342 I CB -0.637 37.283 38.000 -0.132 0.000 1.087 342 I HN 0.397 nan 8.210 nan 0.000 0.424 343 Q N 1.126 120.962 119.800 0.059 0.000 2.112 343 Q HA -0.216 4.123 4.340 -0.001 0.000 0.206 343 Q C 2.450 178.496 176.000 0.077 0.000 0.987 343 Q CA 1.979 57.817 55.803 0.057 0.000 0.858 343 Q CB -0.285 28.490 28.738 0.061 0.000 0.905 343 Q HN 0.590 nan 8.270 nan 0.000 0.420 344 A N -0.184 122.711 122.820 0.126 0.000 2.070 344 A HA -0.131 4.189 4.320 -0.001 0.000 0.220 344 A C 1.994 179.670 177.584 0.154 0.000 1.159 344 A CA 1.636 53.767 52.037 0.156 0.000 0.656 344 A CB -0.228 18.911 19.000 0.231 0.000 0.800 344 A HN 0.264 nan 8.150 nan 0.000 0.453 345 S N -1.919 113.854 115.700 0.121 0.000 2.539 345 S HA 0.109 4.579 4.470 -0.001 0.000 0.221 345 S C 1.326 175.930 174.600 0.006 0.000 0.987 345 S CA 1.024 59.260 58.200 0.059 0.000 0.929 345 S CB -0.223 62.933 63.200 -0.074 0.000 0.832 345 S HN 0.777 nan 8.310 nan 0.000 0.492 346 T N 0.109 114.663 114.554 0.001 0.000 3.364 346 T HA 0.254 4.604 4.350 -0.001 0.000 0.179 346 T C 1.616 176.308 174.700 -0.014 0.000 0.939 346 T CA 0.478 62.573 62.100 -0.008 0.000 1.094 346 T CB -1.016 67.854 68.868 0.002 0.000 1.532 346 T HN 0.250 nan 8.240 nan 0.000 0.346 347 I N 0.578 121.157 120.570 0.014 0.000 2.439 347 I HA 0.309 4.478 4.170 -0.001 0.000 0.251 347 I C 2.419 178.535 176.117 -0.001 0.000 1.139 347 I CA 1.062 62.379 61.300 0.028 0.000 1.438 347 I CB -0.465 37.564 38.000 0.048 0.000 1.085 347 I HN 0.079 nan 8.210 nan 0.000 0.427 348 K N 1.299 121.696 120.400 -0.006 0.000 2.103 348 K HA -0.045 4.275 4.320 -0.001 0.000 0.204 348 K C 2.177 178.725 176.600 -0.086 0.000 1.052 348 K CA 1.902 58.183 56.287 -0.010 0.000 0.945 348 K CB -0.419 32.102 32.500 0.034 0.000 0.722 348 K HN 0.603 nan 8.250 nan 0.000 0.443 349 T N -0.983 113.464 114.554 -0.179 0.000 2.737 349 T HA -0.063 4.286 4.350 -0.001 0.000 0.265 349 T C 2.089 176.377 174.700 -0.686 0.000 1.038 349 T CA 0.999 62.792 62.100 -0.512 0.000 1.144 349 T CB -0.560 67.940 68.868 -0.612 0.000 0.866 349 T HN 0.126 nan 8.240 nan 0.000 0.434 350 A N 2.089 124.701 122.820 -0.347 0.000 1.917 350 A HA -0.152 4.167 4.320 -0.001 0.000 0.219 350 A C 2.619 180.182 177.584 -0.035 0.000 1.182 350 A CA 2.405 54.359 52.037 -0.138 0.000 0.633 350 A CB -1.627 17.366 19.000 -0.011 0.000 0.819 350 A HN 0.574 nan 8.150 nan 0.000 0.448 351 T N -0.086 114.449 114.554 -0.033 0.000 2.777 351 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 351 T C 1.821 176.544 174.700 0.039 0.000 1.040 351 T CA 1.380 63.489 62.100 0.014 0.000 1.141 351 T CB -0.375 68.503 68.868 0.016 0.000 0.868 351 T HN 0.333 nan 8.240 nan 0.000 0.444 352 L N 0.628 121.860 121.223 0.016 0.000 2.046 352 L HA 0.017 4.357 4.340 -0.001 0.000 0.208 352 L C 1.828 178.861 176.870 0.272 0.000 1.077 352 L CA 1.759 56.662 54.840 0.104 0.000 0.747 352 L CB -0.909 41.198 42.059 0.081 0.000 0.896 352 L HN 0.113 nan 8.230 nan 0.000 0.432 353 F N 0.910 120.885 119.950 0.042 0.000 2.407 353 F HA 0.226 4.752 4.527 -0.000 0.000 0.299 353 F C 2.107 177.921 175.800 0.023 0.000 1.097 353 F CA 0.458 58.479 58.000 0.034 0.000 1.422 353 F CB -1.411 37.613 39.000 0.040 0.000 1.067 353 F HN 0.300 nan 8.300 nan 0.000 0.539 354 G N 1.149 110.070 108.800 0.202 0.000 2.198 354 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.257 354 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.257 354 G C 0.042 174.995 174.900 0.088 0.000 1.042 354 G CA 0.132 45.296 45.100 0.106 0.000 0.791 354 G HN 0.339 nan 8.290 nan 0.000 0.502 355 I N 0.641 121.279 120.570 0.113 0.000 2.362 355 I HA 0.436 4.606 4.170 -0.001 0.000 0.289 355 I C 0.130 176.252 176.117 0.008 0.000 0.994 355 I CA -1.074 60.266 61.300 0.066 0.000 1.158 355 I CB 1.383 39.449 38.000 0.110 0.000 1.315 355 I HN 0.137 nan 8.210 nan 0.000 0.451 356 E N 5.306 125.477 120.200 -0.048 0.000 2.349 356 E HA 0.344 4.694 4.350 -0.001 0.000 0.262 356 E C -0.094 176.330 176.600 -0.293 0.000 1.088 356 E CA -0.561 55.757 56.400 -0.138 0.000 0.899 356 E CB 0.224 29.853 29.700 -0.118 0.000 1.044 356 E HN 0.477 nan 8.360 nan 0.000 0.420 357 N N -0.332 117.969 118.700 -0.666 0.000 2.776 357 N HA -0.165 4.574 4.740 -0.001 0.000 0.249 357 N C -0.846 174.270 175.510 -0.656 0.000 1.111 357 N CA 1.332 53.622 53.050 -1.267 0.000 0.711 357 N CB -1.897 36.150 38.487 -0.734 0.000 1.065 357 N HN 0.628 nan 8.380 nan 0.000 0.556 358 I N -6.586 113.825 120.570 -0.264 0.000 3.145 358 I HA 0.798 4.967 4.170 -0.001 0.000 0.313 358 I C 1.406 177.682 176.117 0.265 0.000 1.122 358 I CA -0.306 61.048 61.300 0.090 0.000 0.987 358 I CB 1.776 39.819 38.000 0.072 0.000 1.236 358 I HN -0.038 nan 8.210 nan 0.000 0.453 359 G N 1.262 110.199 108.800 0.227 0.000 2.176 359 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.253 359 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.253 359 G C -0.072 174.917 174.900 0.148 0.000 0.979 359 G CA 0.153 45.347 45.100 0.157 0.000 0.641 359 G HN 0.782 nan 8.290 nan 0.000 0.530 360 Q N -0.746 119.175 119.800 0.201 0.000 2.372 360 Q HA 0.630 4.970 4.340 -0.001 0.000 0.273 360 Q C 0.048 176.012 176.000 -0.060 0.000 1.078 360 Q CA -0.912 54.869 55.803 -0.037 0.000 0.806 360 Q CB 1.984 30.498 28.738 -0.373 0.000 1.332 360 Q HN 0.321 nan 8.270 nan 0.000 0.435 361 I N 2.656 123.192 120.570 -0.056 0.000 2.357 361 I HA 0.164 4.334 4.170 -0.001 0.000 0.300 361 I C 0.054 176.021 176.117 -0.250 0.000 1.159 361 I CA 0.416 61.636 61.300 -0.133 0.000 1.339 361 I CB -0.295 37.615 38.000 -0.149 0.000 1.458 361 I HN 0.272 nan 8.210 nan 0.000 0.577 362 K N 4.219 124.430 120.400 -0.315 0.000 2.509 362 K HA 0.425 4.745 4.320 -0.001 0.000 0.266 362 K C -0.839 175.659 176.600 -0.170 0.000 0.987 362 K CA -0.894 55.175 56.287 -0.362 0.000 0.868 362 K CB 2.257 34.304 32.500 -0.755 0.000 1.421 362 K HN 0.303 nan 8.250 nan 0.000 0.444 363 E N -0.307 119.841 120.200 -0.088 0.000 2.344 363 E HA 0.200 4.549 4.350 -0.001 0.000 0.270 363 E C 0.604 177.292 176.600 0.146 0.000 1.021 363 E CA 1.404 57.815 56.400 0.019 0.000 0.887 363 E CB 0.730 30.435 29.700 0.008 0.000 0.997 363 E HN 0.814 nan 8.360 nan 0.000 0.429 364 G N 3.080 111.975 108.800 0.158 0.000 2.241 364 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.244 364 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.244 364 G C 0.105 175.147 174.900 0.237 0.000 0.998 364 G CA -0.414 44.795 45.100 0.182 0.000 0.621 364 G HN 0.492 nan 8.290 nan 0.000 0.519 365 F N 1.595 121.549 119.950 0.006 0.000 2.403 365 F HA 0.455 4.981 4.527 -0.001 0.000 0.320 365 F C 0.949 176.759 175.800 0.016 0.000 1.176 365 F CA -0.660 57.348 58.000 0.012 0.000 1.206 365 F CB 0.542 39.547 39.000 0.009 0.000 1.235 365 F HN -0.059 nan 8.300 nan 0.000 0.565 366 D N 0.826 121.303 120.400 0.129 0.000 2.399 366 D HA 0.200 4.840 4.640 -0.001 0.000 0.241 366 D C -0.133 176.239 176.300 0.119 0.000 1.133 366 D CA 0.115 54.170 54.000 0.092 0.000 0.890 366 D CB 1.006 41.837 40.800 0.051 0.000 1.201 366 D HN 0.504 nan 8.370 nan 0.000 0.432 367 A N 2.264 125.142 122.820 0.098 0.000 3.077 367 A HA 0.117 4.436 4.320 -0.001 0.000 0.255 367 A C -0.530 177.105 177.584 0.086 0.000 1.728 367 A CA -0.393 51.700 52.037 0.095 0.000 1.383 367 A CB -0.363 18.698 19.000 0.101 0.000 1.097 367 A HN 0.252 nan 8.150 nan 0.000 0.634 368 D N 1.096 121.547 120.400 0.084 0.000 2.467 368 D HA 0.474 5.114 4.640 -0.001 0.000 0.220 368 D C -0.572 175.759 176.300 0.051 0.000 1.103 368 D CA 0.480 54.519 54.000 0.065 0.000 0.886 368 D CB 0.803 41.646 40.800 0.071 0.000 1.025 368 D HN 0.373 nan 8.370 nan 0.000 0.514 369 I N 1.710 122.303 120.570 0.038 0.000 2.478 369 I HA 0.231 4.401 4.170 -0.001 0.000 0.287 369 I C -0.654 175.492 176.117 0.049 0.000 1.042 369 I CA -0.891 60.450 61.300 0.067 0.000 1.067 369 I CB 2.427 40.507 38.000 0.134 0.000 1.233 369 I HN -0.102 nan 8.210 nan 0.000 0.431 370 V N 5.022 124.966 119.914 0.050 0.000 2.417 370 V HA 0.699 4.819 4.120 -0.001 0.000 0.291 370 V C 0.441 176.618 176.094 0.138 0.000 1.024 370 V CA -0.488 61.837 62.300 0.040 0.000 0.861 370 V CB 1.642 33.429 31.823 -0.061 0.000 0.985 370 V HN 0.848 nan 8.190 nan 0.000 0.436 371 G N 2.662 111.624 108.800 0.270 0.000 2.415 371 G HA2 0.652 4.611 3.960 -0.001 0.000 0.327 371 G HA3 0.652 4.611 3.960 -0.001 0.000 0.327 371 G C -1.447 173.525 174.900 0.120 0.000 1.182 371 G CA -0.552 44.680 45.100 0.220 0.000 0.924 371 G HN 0.644 nan 8.290 nan 0.000 0.470 372 V N 2.921 122.862 119.914 0.045 0.000 2.971 372 V HA 0.401 4.521 4.120 -0.001 0.000 0.309 372 V C 0.647 176.740 176.094 -0.002 0.000 1.130 372 V CA -0.696 61.611 62.300 0.012 0.000 0.964 372 V CB 1.983 33.790 31.823 -0.027 0.000 1.029 372 V HN 0.723 nan 8.190 nan 0.000 0.427 373 I N 2.338 122.907 120.570 -0.001 0.000 2.141 373 I HA 0.036 4.206 4.170 -0.001 0.000 0.236 373 I C 1.120 177.229 176.117 -0.014 0.000 1.071 373 I CA 1.018 62.316 61.300 -0.004 0.000 1.345 373 I CB -0.011 37.991 38.000 0.003 0.000 1.066 373 I HN 0.659 nan 8.210 nan 0.000 0.406 374 E N 1.027 121.217 120.200 -0.017 0.000 2.280 374 E HA 0.129 4.479 4.350 -0.001 0.000 0.261 374 E C -0.150 176.429 176.600 -0.034 0.000 1.088 374 E CA -0.699 55.687 56.400 -0.023 0.000 0.915 374 E CB 0.477 30.165 29.700 -0.020 0.000 1.141 374 E HN 0.129 nan 8.360 nan 0.000 0.433 375 N N 1.684 120.362 118.700 -0.036 0.000 2.452 375 N HA 0.023 4.762 4.740 -0.001 0.000 0.266 375 N C -1.963 173.514 175.510 -0.055 0.000 1.175 375 N CA -1.232 51.790 53.050 -0.046 0.000 0.945 375 N CB 0.932 39.393 38.487 -0.042 0.000 1.063 375 N HN 0.171 nan 8.380 nan 0.000 0.472 376 P HA 0.003 nan 4.420 nan 0.000 0.229 376 P C 1.234 178.482 177.300 -0.087 0.000 1.160 376 P CA 0.325 63.363 63.100 -0.103 0.000 0.777 376 P CB 0.443 32.051 31.700 -0.152 0.000 0.814 377 L N -1.188 119.994 121.223 -0.068 0.000 2.395 377 L HA 0.104 4.443 4.340 -0.001 0.000 0.218 377 L C 2.204 179.054 176.870 -0.033 0.000 1.130 377 L CA 1.046 55.857 54.840 -0.048 0.000 0.826 377 L CB -1.220 40.812 42.059 -0.046 0.000 0.941 377 L HN -0.076 nan 8.230 nan 0.000 0.451 378 A N -1.204 121.595 122.820 -0.035 0.000 1.909 378 A HA 0.102 4.421 4.320 -0.001 0.000 0.209 378 A C 0.936 178.507 177.584 -0.021 0.000 1.247 378 A CA 0.374 52.396 52.037 -0.025 0.000 0.660 378 A CB -0.105 18.880 19.000 -0.025 0.000 0.910 378 A HN 0.359 nan 8.150 nan 0.000 0.465 379 N N -0.559 118.125 118.700 -0.026 0.000 2.569 379 N HA 0.363 5.103 4.740 -0.001 0.000 0.254 379 N C -0.057 175.432 175.510 -0.035 0.000 1.004 379 N CA -0.399 52.638 53.050 -0.021 0.000 0.904 379 N CB 0.883 39.361 38.487 -0.014 0.000 1.165 379 N HN 0.176 nan 8.380 nan 0.000 0.513 380 I N 2.639 123.192 120.570 -0.028 0.000 2.756 380 I HA -0.013 4.157 4.170 -0.001 0.000 0.262 380 I C 1.554 177.649 176.117 -0.036 0.000 1.225 380 I CA 0.910 62.175 61.300 -0.057 0.000 1.472 380 I CB 0.196 38.191 38.000 -0.009 0.000 1.094 380 I HN 0.475 nan 8.210 nan 0.000 0.454 381 R N -0.381 120.126 120.500 0.011 0.000 2.323 381 R HA 0.003 4.343 4.340 -0.001 0.000 0.198 381 R C 1.613 177.927 176.300 0.024 0.000 0.988 381 R CA 1.139 57.264 56.100 0.042 0.000 1.041 381 R CB -0.321 30.008 30.300 0.049 0.000 0.926 381 R HN 0.492 nan 8.270 nan 0.000 0.476 382 T N -2.062 112.485 114.554 -0.011 0.000 3.081 382 T HA 0.095 4.445 4.350 -0.001 0.000 0.255 382 T C 1.744 176.429 174.700 -0.025 0.000 1.113 382 T CA 0.129 62.222 62.100 -0.012 0.000 1.082 382 T CB 0.016 68.871 68.868 -0.021 0.000 0.939 382 T HN 0.128 nan 8.240 nan 0.000 0.506 383 L N 0.789 121.972 121.223 -0.067 0.000 2.362 383 L HA 0.021 4.360 4.340 -0.001 0.000 0.219 383 L C 2.520 179.426 176.870 0.060 0.000 1.134 383 L CA 1.155 55.944 54.840 -0.084 0.000 0.807 383 L CB -0.633 41.239 42.059 -0.311 0.000 0.927 383 L HN 0.361 nan 8.230 nan 0.000 0.447 384 E N 0.103 120.357 120.200 0.092 0.000 2.427 384 E HA -0.071 4.278 4.350 -0.001 0.000 0.196 384 E C 0.283 176.939 176.600 0.094 0.000 1.028 384 E CA 0.436 56.907 56.400 0.119 0.000 0.864 384 E CB 0.221 29.982 29.700 0.102 0.000 0.813 384 E HN 0.416 nan 8.360 nan 0.000 0.514 385 E N 1.023 121.262 120.200 0.065 0.000 3.117 385 E HA 0.095 4.444 4.350 -0.001 0.000 0.262 385 E C -0.970 175.657 176.600 0.045 0.000 1.202 385 E CA -0.320 56.116 56.400 0.059 0.000 0.853 385 E CB 1.387 31.118 29.700 0.051 0.000 1.426 385 E HN -0.010 nan 8.360 nan 0.000 0.387 386 V N -0.847 119.096 119.914 0.049 0.000 2.881 386 V HA 0.626 4.746 4.120 -0.001 0.000 0.303 386 V C 0.763 176.892 176.094 0.058 0.000 1.070 386 V CA 0.402 62.726 62.300 0.039 0.000 1.074 386 V CB 1.583 33.418 31.823 0.020 0.000 1.012 386 V HN 0.482 nan 8.190 nan 0.000 0.482 387 A N 2.945 125.812 122.820 0.079 0.000 2.287 387 A HA 0.576 4.896 4.320 -0.001 0.000 0.214 387 A C 0.242 177.933 177.584 0.179 0.000 1.228 387 A CA 0.138 52.237 52.037 0.102 0.000 0.939 387 A CB 0.147 19.197 19.000 0.083 0.000 0.992 387 A HN 1.116 nan 8.150 nan 0.000 0.502 388 F N 0.059 120.004 119.950 -0.007 0.000 2.573 388 F HA 0.602 5.129 4.527 -0.000 0.000 0.316 388 F C -1.490 174.309 175.800 -0.003 0.000 1.148 388 F CA -1.059 56.934 58.000 -0.013 0.000 0.940 388 F CB 2.026 41.008 39.000 -0.031 0.000 1.214 388 F HN -0.181 nan 8.300 nan 0.000 0.448 389 V N 7.676 127.200 119.914 -0.651 0.000 2.483 389 V HA 0.456 4.575 4.120 -0.001 0.000 0.297 389 V C -0.505 175.155 176.094 -0.724 0.000 1.027 389 V CA -0.622 61.375 62.300 -0.506 0.000 0.855 389 V CB 1.711 33.436 31.823 -0.164 0.000 0.995 389 V HN 0.876 nan 8.190 nan 0.000 0.424 390 M N 5.810 125.070 119.600 -0.567 0.000 2.243 390 M HA 0.579 5.058 4.480 -0.001 0.000 0.324 390 M C -0.912 175.373 176.300 -0.025 0.000 1.031 390 M CA -0.487 54.639 55.300 -0.288 0.000 0.949 390 M CB 1.303 33.781 32.600 -0.203 0.000 1.615 390 M HN 0.647 nan 8.290 nan 0.000 0.430 391 K N 4.905 125.387 120.400 0.136 0.000 2.413 391 K HA 0.292 4.612 4.320 -0.001 0.000 0.257 391 K C -0.688 176.022 176.600 0.183 0.000 0.946 391 K CA -0.034 56.356 56.287 0.172 0.000 0.823 391 K CB 1.029 33.642 32.500 0.187 0.000 1.109 391 K HN 0.929 nan 8.250 nan 0.000 0.427 392 E N 2.604 122.877 120.200 0.122 0.000 2.440 392 E HA -0.285 4.065 4.350 -0.001 0.000 0.246 392 E C 0.518 177.183 176.600 0.108 0.000 1.165 392 E CA 0.704 57.169 56.400 0.109 0.000 0.726 392 E CB -1.503 28.261 29.700 0.107 0.000 1.271 392 E HN 1.195 nan 8.360 nan 0.000 0.397 393 G N -0.309 108.558 108.800 0.112 0.000 2.241 393 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.244 393 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.244 393 G C 0.216 175.212 174.900 0.161 0.000 0.998 393 G CA 0.521 45.714 45.100 0.156 0.000 0.621 393 G HN 0.208 nan 8.290 nan 0.000 0.519 394 K N 0.626 121.047 120.400 0.035 0.000 2.185 394 K HA 0.583 4.903 4.320 -0.001 0.000 0.269 394 K C -0.156 176.224 176.600 -0.368 0.000 0.987 394 K CA -0.576 55.617 56.287 -0.157 0.000 0.865 394 K CB 2.846 35.160 32.500 -0.310 0.000 1.090 394 K HN 0.206 nan 8.250 nan 0.000 0.450 395 V N 4.821 124.493 119.914 -0.402 0.000 2.488 395 V HA 0.077 4.197 4.120 -0.001 0.000 0.277 395 V C -0.443 175.358 176.094 -0.489 0.000 1.046 395 V CA 0.443 62.494 62.300 -0.416 0.000 0.986 395 V CB 0.171 31.814 31.823 -0.300 0.000 0.989 395 V HN 0.742 nan 8.190 nan 0.000 0.475 396 Y N 4.240 124.423 120.300 -0.194 0.000 2.581 396 Y HA 0.441 4.990 4.550 -0.001 0.000 0.271 396 Y C 1.162 176.999 175.900 -0.105 0.000 1.100 396 Y CA -0.026 58.004 58.100 -0.116 0.000 1.281 396 Y CB 0.572 38.975 38.460 -0.095 0.000 1.237 396 Y HN 0.446 nan 8.280 nan 0.000 0.514 397 K N 1.110 121.490 120.400 -0.032 0.000 2.426 397 K HA 0.481 4.800 4.320 -0.001 0.000 0.254 397 K C -1.159 175.436 176.600 -0.009 0.000 0.936 397 K CA -0.714 55.562 56.287 -0.018 0.000 0.801 397 K CB 1.668 34.163 32.500 -0.008 0.000 1.139 397 K HN -0.085 nan 8.250 nan 0.000 0.424 398 R N 3.244 123.792 120.500 0.080 0.000 2.548 398 R HA 0.140 4.479 4.340 -0.001 0.000 0.280 398 R C -0.252 176.109 176.300 0.101 0.000 1.061 398 R CA -0.368 55.835 56.100 0.171 0.000 0.915 398 R CB 1.495 31.915 30.300 0.201 0.000 1.210 398 R HN 0.715 nan 8.270 nan 0.000 0.442 399 E N 1.492 121.749 120.200 0.096 0.000 2.079 399 E HA 0.135 4.484 4.350 -0.001 0.000 0.191 399 E C 0.822 177.447 176.600 0.043 0.000 0.961 399 E CA 0.764 57.201 56.400 0.061 0.000 0.823 399 E CB 0.268 30.003 29.700 0.058 0.000 0.789 399 E HN 0.730 nan 8.360 nan 0.000 0.459 400 G N 0.000 108.821 108.800 0.034 0.000 5.446 400 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 400 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 400 G CA 0.000 45.111 45.100 0.018 0.000 0.502 400 G HN 0.000 nan 8.290 nan 0.000 0.925