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 3itk_1_B DATA FIRST_RESID 0 DATA SEQUENCE SMFEIKKICC IGAGYVGGPT CSVIAHMCPE IRVTVVDVNE SRINAWNSPT DATA SEQUENCE LPIYEPGLKE VVESCRGKNL FFSTNIDDAI KEADLVFISV NTPTKTYGMG DATA SEQUENCE KGRAADLKYI EACARRIVQN SNGYKIVTEK SAVPVRAAES IRRIFDANTK DATA SEQUENCE PNLNLQVLSN PEFLAEGTAI KDLKNPDRVL IGGDETPEGQ RAVQALCAVY DATA SEQUENCE EHWVPREKIL TTNTWSSELS KLAANAFLAQ RISSINSISA LCEATGADVE DATA SEQUENCE EVATAIGMDQ RIGNKFLKAS VGFGGSCFQK DVLNLVYLCE ALNLPEVARY DATA SEQUENCE WQQVIDMNDY QRRRFASRII DSLFNTVTDK KIAILGFAFK KDTGDTRESS DATA SEQUENCE SIYISKYLMD EGAHLHIYDP KVPREQIVVD LSHXXXXXDD QVSRLVTISK DATA SEQUENCE DPYEACDGAH AVVICTEWDM FKELDYERIH KKMLKPAFIF DGRRVLDGLH DATA SEQUENCE NELQTIGFQI ETIGKKV 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.615 174.600 0.026 0.000 1.055 0 S CA 0.000 58.210 58.200 0.017 0.000 1.107 0 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 1 M N 0.358 119.982 119.600 0.039 0.000 2.513 1 M HA -0.109 4.376 4.480 0.008 0.000 0.256 1 M C 0.509 176.859 176.300 0.084 0.000 1.061 1 M CA 2.246 57.575 55.300 0.047 0.000 1.065 1 M CB -0.147 32.480 32.600 0.045 0.000 1.279 1 M HN 0.656 nan 8.290 nan 0.000 0.453 2 F N 0.915 120.839 119.950 -0.042 0.000 2.421 2 F HA 0.408 4.939 4.527 0.008 0.000 0.337 2 F C -0.464 175.340 175.800 0.006 0.000 1.105 2 F CA -0.845 57.131 58.000 -0.041 0.000 1.049 2 F CB 0.970 39.930 39.000 -0.067 0.000 1.139 2 F HN 0.069 nan 8.300 nan 0.000 0.479 3 E N 6.190 125.864 120.200 -0.876 0.000 2.165 3 E HA 0.363 4.717 4.350 0.008 0.000 0.266 3 E C -0.946 175.185 176.600 -0.782 0.000 0.889 3 E CA -0.741 55.310 56.400 -0.582 0.000 0.756 3 E CB 1.269 30.780 29.700 -0.315 0.000 1.131 3 E HN 0.604 nan 8.360 nan 0.000 0.411 4 I N 4.560 124.911 120.570 -0.364 0.000 2.452 4 I HA 0.020 4.195 4.170 0.008 0.000 0.287 4 I C 1.044 177.077 176.117 -0.140 0.000 1.079 4 I CA 0.604 61.799 61.300 -0.176 0.000 1.387 4 I CB 0.609 38.605 38.000 -0.006 0.000 1.404 4 I HN 0.506 nan 8.210 nan 0.000 0.522 5 K N 4.488 124.815 120.400 -0.121 0.000 2.474 5 K HA 0.269 4.594 4.320 0.008 0.000 0.204 5 K C -0.175 176.396 176.600 -0.049 0.000 1.220 5 K CA 0.179 56.416 56.287 -0.082 0.000 0.966 5 K CB 0.650 33.096 32.500 -0.089 0.000 1.049 5 K HN 0.400 nan 8.250 nan 0.000 0.554 6 K N 1.227 121.607 120.400 -0.034 0.000 2.471 6 K HA 0.445 4.769 4.320 0.008 0.000 0.252 6 K C -1.172 175.409 176.600 -0.032 0.000 0.938 6 K CA -0.360 55.911 56.287 -0.027 0.000 0.796 6 K CB 2.409 34.896 32.500 -0.021 0.000 1.161 6 K HN -0.099 nan 8.250 nan 0.000 0.425 7 I N 2.023 122.571 120.570 -0.037 0.000 2.474 7 I HA 0.320 4.495 4.170 0.008 0.000 0.294 7 I C -0.574 175.526 176.117 -0.028 0.000 1.005 7 I CA -1.004 60.267 61.300 -0.049 0.000 1.113 7 I CB 1.735 39.719 38.000 -0.027 0.000 1.289 7 I HN 0.613 nan 8.210 nan 0.000 0.436 8 C N 6.397 125.679 119.300 -0.030 0.000 2.379 8 C HA 0.662 5.127 4.460 0.008 0.000 0.323 8 C C -0.265 174.754 174.990 0.049 0.000 1.262 8 C CA -0.607 58.406 59.018 -0.008 0.000 1.581 8 C CB 0.468 28.195 27.740 -0.020 0.000 2.221 8 C HN 0.951 nan 8.230 nan 0.000 0.497 9 C N 8.050 127.385 119.300 0.059 0.000 2.301 9 C HA 0.600 5.065 4.460 0.008 0.000 0.323 9 C C -0.155 174.863 174.990 0.047 0.000 1.265 9 C CA -0.671 58.414 59.018 0.110 0.000 1.503 9 C CB -0.903 26.886 27.740 0.082 0.000 2.195 9 C HN 0.840 nan 8.230 nan 0.000 0.477 10 I N 6.367 126.975 120.570 0.064 0.000 2.308 10 I HA 0.512 4.687 4.170 0.008 0.000 0.293 10 I C 0.885 177.023 176.117 0.034 0.000 1.078 10 I CA 0.899 62.225 61.300 0.043 0.000 1.292 10 I CB 0.315 38.346 38.000 0.051 0.000 1.423 10 I HN 1.029 nan 8.210 nan 0.000 0.493 11 G N 4.527 113.339 108.800 0.020 0.000 3.305 11 G HA2 0.154 4.119 3.960 0.008 0.000 0.649 11 G HA3 0.154 4.119 3.960 0.008 0.000 0.649 11 G C -0.320 174.589 174.900 0.015 0.000 1.255 11 G CA -0.373 44.736 45.100 0.014 0.000 1.137 11 G HN 0.838 nan 8.290 nan 0.000 0.535 12 A N 1.505 124.360 122.820 0.058 0.000 2.833 12 A HA 0.765 5.090 4.320 0.008 0.000 0.293 12 A C 1.433 179.188 177.584 0.284 0.000 1.338 12 A CA 1.154 53.245 52.037 0.090 0.000 0.959 12 A CB -0.191 18.893 19.000 0.139 0.000 1.094 12 A HN 1.902 nan 8.150 nan 0.000 0.569 13 G N -1.846 107.057 108.800 0.172 0.000 2.714 13 G HA2 0.218 4.183 3.960 0.008 0.000 0.197 13 G HA3 0.218 4.183 3.960 0.008 0.000 0.197 13 G C 0.724 175.749 174.900 0.209 0.000 1.449 13 G CA 0.404 45.617 45.100 0.188 0.000 1.065 13 G HN 0.244 nan 8.290 nan 0.000 0.575 14 Y N -1.350 119.025 120.300 0.124 0.000 2.373 14 Y HA 0.003 4.557 4.550 0.008 0.000 0.293 14 Y C 2.892 178.835 175.900 0.070 0.000 1.129 14 Y CA 1.315 59.479 58.100 0.107 0.000 1.226 14 Y CB -0.062 38.432 38.460 0.056 0.000 1.000 14 Y HN 0.192 nan 8.280 nan 0.000 0.549 15 V N -0.831 119.100 119.914 0.029 0.000 2.326 15 V HA 0.010 4.135 4.120 0.008 0.000 0.238 15 V C 2.911 178.974 176.094 -0.052 0.000 1.038 15 V CA 1.630 63.918 62.300 -0.020 0.000 1.032 15 V CB -1.544 30.248 31.823 -0.052 0.000 0.675 15 V HN 0.477 nan 8.190 nan 0.000 0.467 16 G N 0.302 109.065 108.800 -0.061 0.000 2.440 16 G HA2 -0.158 3.807 3.960 0.008 0.000 0.218 16 G HA3 -0.158 3.807 3.960 0.008 0.000 0.218 16 G C 1.607 176.418 174.900 -0.149 0.000 1.154 16 G CA 1.143 46.172 45.100 -0.119 0.000 0.767 16 G HN 0.588 nan 8.290 nan 0.000 0.552 17 G N 1.615 110.340 108.800 -0.125 0.000 2.511 17 G HA2 -0.103 3.862 3.960 0.008 0.000 0.216 17 G HA3 -0.103 3.862 3.960 0.008 0.000 0.216 17 G C 0.063 174.866 174.900 -0.163 0.000 1.218 17 G CA 1.340 46.229 45.100 -0.352 0.000 0.788 17 G HN 0.411 nan 8.290 nan 0.000 0.560 18 P HA -0.010 nan 4.420 nan 0.000 0.216 18 P C 2.107 179.392 177.300 -0.024 0.000 1.153 18 P CA 1.778 64.910 63.100 0.053 0.000 0.848 18 P CB -0.229 31.520 31.700 0.082 0.000 0.787 19 T N -1.167 113.355 114.554 -0.053 0.000 2.684 19 T HA -0.183 4.172 4.350 0.008 0.000 0.267 19 T C 1.879 176.517 174.700 -0.102 0.000 1.036 19 T CA 1.506 63.567 62.100 -0.066 0.000 1.148 19 T CB -1.362 67.418 68.868 -0.147 0.000 0.863 19 T HN 0.138 nan 8.240 nan 0.000 0.436 20 C N 1.306 120.515 119.300 -0.153 0.000 2.440 20 C HA -0.002 4.463 4.460 0.008 0.000 0.278 20 C C 3.225 178.118 174.990 -0.162 0.000 1.295 20 C CA 0.576 59.506 59.018 -0.148 0.000 1.738 20 C CB -1.219 26.412 27.740 -0.181 0.000 1.987 20 C HN 0.539 nan 8.230 nan 0.000 0.492 21 S N 0.770 116.381 115.700 -0.149 0.000 2.368 21 S HA -0.141 4.334 4.470 0.008 0.000 0.225 21 S C 1.889 176.418 174.600 -0.118 0.000 1.030 21 S CA 1.506 59.641 58.200 -0.107 0.000 0.999 21 S CB -0.303 62.891 63.200 -0.011 0.000 0.844 21 S HN 0.507 nan 8.310 nan 0.000 0.459 22 V N 1.958 121.789 119.914 -0.138 0.000 2.358 22 V HA -0.117 4.008 4.120 0.008 0.000 0.246 22 V C 2.047 177.916 176.094 -0.374 0.000 1.047 22 V CA 1.321 63.487 62.300 -0.224 0.000 1.035 22 V CB -0.645 31.059 31.823 -0.198 0.000 0.658 22 V HN 0.436 nan 8.190 nan 0.000 0.452 23 I N 0.598 120.998 120.570 -0.284 0.000 2.163 23 I HA -0.294 3.881 4.170 0.008 0.000 0.243 23 I C 2.673 178.642 176.117 -0.247 0.000 1.085 23 I CA 1.688 62.823 61.300 -0.275 0.000 1.347 23 I CB -0.577 37.376 38.000 -0.079 0.000 1.044 23 I HN 0.306 nan 8.210 nan 0.000 0.408 24 A N -0.043 122.669 122.820 -0.179 0.000 1.877 24 A HA -0.310 4.015 4.320 0.008 0.000 0.216 24 A C 2.188 179.694 177.584 -0.131 0.000 1.186 24 A CA 2.111 54.057 52.037 -0.151 0.000 0.620 24 A CB -1.007 17.902 19.000 -0.152 0.000 0.822 24 A HN 0.523 nan 8.150 nan 0.000 0.443 25 H N -0.830 118.101 119.070 -0.232 0.000 2.387 25 H HA -0.077 4.484 4.556 0.008 0.000 0.299 25 H C 1.721 176.911 175.328 -0.230 0.000 1.099 25 H CA 2.239 58.160 56.048 -0.212 0.000 1.315 25 H CB -0.053 29.575 29.762 -0.223 0.000 1.380 25 H HN 0.319 nan 8.280 nan 0.000 0.513 26 M N -0.917 118.467 119.600 -0.361 0.000 2.510 26 M HA 0.112 4.597 4.480 0.008 0.000 0.256 26 M C 0.309 176.501 176.300 -0.179 0.000 1.132 26 M CA 0.279 55.358 55.300 -0.368 0.000 1.105 26 M CB -0.262 31.927 32.600 -0.684 0.000 1.375 26 M HN 0.260 nan 8.290 nan 0.000 0.477 27 C N 1.407 120.567 119.300 -0.232 0.000 3.003 27 C HA 0.324 4.788 4.460 0.008 0.000 0.241 27 C C -1.309 173.581 174.990 -0.166 0.000 1.224 27 C CA -0.994 57.857 59.018 -0.279 0.000 1.560 27 C CB 0.011 27.454 27.740 -0.495 0.000 1.768 27 C HN 0.212 nan 8.230 nan 0.000 0.440 28 P HA -0.167 nan 4.420 nan 0.000 0.221 28 P C 1.617 178.892 177.300 -0.042 0.000 1.145 28 P CA 1.422 64.481 63.100 -0.068 0.000 0.795 28 P CB 0.166 31.837 31.700 -0.049 0.000 0.775 29 E N -0.240 119.942 120.200 -0.030 0.000 2.478 29 E HA -0.018 4.337 4.350 0.008 0.000 0.194 29 E C 0.409 176.990 176.600 -0.031 0.000 1.045 29 E CA 0.238 56.630 56.400 -0.013 0.000 0.868 29 E CB -0.320 29.391 29.700 0.019 0.000 0.885 29 E HN 0.268 nan 8.360 nan 0.000 0.505 30 I N 2.007 122.538 120.570 -0.064 0.000 2.359 30 I HA 0.268 4.443 4.170 0.008 0.000 0.294 30 I C 0.496 176.590 176.117 -0.037 0.000 0.987 30 I CA -0.829 60.431 61.300 -0.066 0.000 1.225 30 I CB 1.490 39.423 38.000 -0.111 0.000 1.366 30 I HN -0.151 nan 8.210 nan 0.000 0.466 31 R N 5.909 126.403 120.500 -0.009 0.000 2.221 31 R HA 0.511 4.856 4.340 0.008 0.000 0.327 31 R C -1.434 174.877 176.300 0.019 0.000 1.033 31 R CA -0.387 55.738 56.100 0.041 0.000 0.887 31 R CB 1.005 31.335 30.300 0.051 0.000 1.057 31 R HN 0.449 nan 8.270 nan 0.000 0.455 32 V N 4.189 124.113 119.914 0.017 0.000 2.378 32 V HA 0.292 4.417 4.120 0.008 0.000 0.288 32 V C -0.322 175.736 176.094 -0.059 0.000 1.016 32 V CA -0.646 61.628 62.300 -0.044 0.000 0.840 32 V CB 1.771 33.531 31.823 -0.106 0.000 0.994 32 V HN 0.770 nan 8.190 nan 0.000 0.431 33 T N 4.446 118.964 114.554 -0.059 0.000 2.809 33 T HA 0.463 4.818 4.350 0.008 0.000 0.296 33 T C -0.222 174.394 174.700 -0.142 0.000 1.015 33 T CA -0.363 61.691 62.100 -0.077 0.000 0.954 33 T CB 1.432 70.281 68.868 -0.032 0.000 0.950 33 T HN 0.319 nan 8.240 nan 0.000 0.450 34 V N 4.987 124.728 119.914 -0.287 0.000 2.406 34 V HA 0.541 4.665 4.120 0.008 0.000 0.272 34 V C 0.422 176.473 176.094 -0.071 0.000 1.043 34 V CA -0.621 61.541 62.300 -0.229 0.000 0.915 34 V CB 1.011 32.581 31.823 -0.421 0.000 0.988 34 V HN 0.771 nan 8.190 nan 0.000 0.466 35 V N 1.541 121.445 119.914 -0.017 0.000 2.864 35 V HA 0.863 4.988 4.120 0.008 0.000 0.314 35 V C -0.887 175.234 176.094 0.044 0.000 1.073 35 V CA -0.527 61.791 62.300 0.030 0.000 0.956 35 V CB 2.227 34.062 31.823 0.020 0.000 1.023 35 V HN 0.829 nan 8.190 nan 0.000 0.435 36 D N 0.972 121.409 120.400 0.062 0.000 2.706 36 D HA 0.225 4.870 4.640 0.008 0.000 0.225 36 D C 0.046 176.379 176.300 0.055 0.000 1.241 36 D CA -0.264 53.772 54.000 0.059 0.000 0.784 36 D CB 3.028 43.882 40.800 0.090 0.000 1.521 36 D HN 0.503 nan 8.370 nan 0.000 0.461 37 V N 2.692 122.628 119.914 0.037 0.000 2.667 37 V HA -0.037 4.088 4.120 0.008 0.000 0.252 37 V C 0.835 176.951 176.094 0.038 0.000 1.065 37 V CA 1.045 63.365 62.300 0.034 0.000 1.083 37 V CB -0.369 31.468 31.823 0.024 0.000 0.692 37 V HN 0.477 nan 8.190 nan 0.000 0.468 38 N N 1.530 120.254 118.700 0.041 0.000 2.434 38 N HA -0.045 4.700 4.740 0.008 0.000 0.273 38 N C 1.108 176.653 175.510 0.058 0.000 1.210 38 N CA 0.603 53.678 53.050 0.042 0.000 0.992 38 N CB 0.780 39.290 38.487 0.039 0.000 1.355 38 N HN 0.620 nan 8.380 nan 0.000 0.495 39 E N 1.854 122.083 120.200 0.049 0.000 2.118 39 E HA -0.216 4.139 4.350 0.008 0.000 0.195 39 E C 1.432 178.062 176.600 0.050 0.000 0.992 39 E CA 1.271 57.703 56.400 0.053 0.000 0.804 39 E CB 0.051 29.776 29.700 0.040 0.000 0.741 39 E HN 0.571 nan 8.360 nan 0.000 0.458 40 S N -0.049 115.670 115.700 0.033 0.000 2.370 40 S HA -0.219 4.256 4.470 0.008 0.000 0.226 40 S C 2.070 176.679 174.600 0.014 0.000 1.033 40 S CA 1.529 59.739 58.200 0.016 0.000 1.011 40 S CB -0.275 62.927 63.200 0.004 0.000 0.852 40 S HN 0.317 nan 8.310 nan 0.000 0.457 41 R N 0.091 120.614 120.500 0.038 0.000 2.073 41 R HA 0.010 4.354 4.340 0.008 0.000 0.229 41 R C 2.146 178.532 176.300 0.145 0.000 1.120 41 R CA 1.422 57.552 56.100 0.051 0.000 0.967 41 R CB -0.323 30.037 30.300 0.101 0.000 0.862 41 R HN 0.404 nan 8.270 nan 0.000 0.436 42 I N 2.120 122.804 120.570 0.190 0.000 2.208 42 I HA -0.281 3.894 4.170 0.008 0.000 0.245 42 I C 1.698 177.905 176.117 0.149 0.000 1.097 42 I CA 1.352 62.794 61.300 0.236 0.000 1.363 42 I CB -1.410 36.705 38.000 0.191 0.000 1.051 42 I HN 0.249 nan 8.210 nan 0.000 0.413 43 N N 1.301 120.050 118.700 0.082 0.000 2.104 43 N HA -0.141 4.604 4.740 0.008 0.000 0.190 43 N C 1.922 177.429 175.510 -0.006 0.000 1.024 43 N CA 1.710 54.786 53.050 0.043 0.000 0.853 43 N CB -0.318 38.184 38.487 0.025 0.000 1.008 43 N HN 0.385 nan 8.380 nan 0.000 0.424 44 A N 0.017 122.803 122.820 -0.056 0.000 1.902 44 A HA -0.115 4.210 4.320 0.008 0.000 0.217 44 A C 2.088 179.532 177.584 -0.232 0.000 1.181 44 A CA 1.055 52.997 52.037 -0.158 0.000 0.623 44 A CB -1.159 17.704 19.000 -0.228 0.000 0.818 44 A HN 0.423 nan 8.150 nan 0.000 0.443 45 W N 0.360 121.477 121.300 -0.305 0.000 2.364 45 W HA -0.103 4.561 4.660 0.007 0.000 0.281 45 W C 1.613 177.807 176.519 -0.542 0.000 1.219 45 W CA 1.033 57.994 57.345 -0.640 0.000 1.220 45 W CB -0.083 28.604 29.460 -1.287 0.000 1.127 45 W HN 0.303 nan 8.180 nan 0.000 0.556 46 N N -0.081 118.587 118.700 -0.052 0.000 2.398 46 N HA -0.021 4.724 4.740 0.008 0.000 0.188 46 N C 0.629 176.143 175.510 0.006 0.000 1.122 46 N CA 0.766 53.835 53.050 0.032 0.000 0.866 46 N CB -0.106 38.445 38.487 0.106 0.000 0.970 46 N HN 0.036 nan 8.380 nan 0.000 0.462 47 S N 0.304 115.979 115.700 -0.042 0.000 2.738 47 S HA 0.451 4.926 4.470 0.008 0.000 0.284 47 S C -1.832 172.739 174.600 -0.048 0.000 1.146 47 S CA -0.987 57.187 58.200 -0.043 0.000 0.997 47 S CB 1.925 65.087 63.200 -0.063 0.000 1.081 47 S HN -0.118 nan 8.310 nan 0.000 0.553 48 P HA 0.181 nan 4.420 nan 0.000 0.245 48 P C -0.312 176.955 177.300 -0.056 0.000 1.212 48 P CA 0.388 63.466 63.100 -0.038 0.000 0.774 48 P CB -0.271 31.414 31.700 -0.024 0.000 0.999 49 T N 1.511 116.015 114.554 -0.082 0.000 2.977 49 T HA 0.366 4.721 4.350 0.008 0.000 0.346 49 T C 0.287 174.881 174.700 -0.177 0.000 1.140 49 T CA -0.501 61.538 62.100 -0.103 0.000 1.040 49 T CB 0.434 69.249 68.868 -0.088 0.000 1.046 49 T HN -0.102 nan 8.240 nan 0.000 0.494 50 L N 4.550 125.642 121.223 -0.219 0.000 2.461 50 L HA 0.211 4.556 4.340 0.008 0.000 0.272 50 L C -0.683 175.912 176.870 -0.458 0.000 1.197 50 L CA -1.584 52.998 54.840 -0.431 0.000 0.836 50 L CB 0.522 42.313 42.059 -0.446 0.000 1.105 50 L HN 0.341 nan 8.230 nan 0.000 0.477 51 P HA 0.038 nan 4.420 nan 0.000 0.236 51 P C -0.034 177.052 177.300 -0.357 0.000 1.177 51 P CA 0.903 63.716 63.100 -0.478 0.000 0.773 51 P CB 0.444 31.813 31.700 -0.552 0.000 0.878 52 I N -0.016 120.293 120.570 -0.435 0.000 2.433 52 I HA 0.219 4.394 4.170 0.008 0.000 0.292 52 I C -0.496 175.555 176.117 -0.110 0.000 1.001 52 I CA -1.883 59.292 61.300 -0.208 0.000 1.119 52 I CB 1.099 39.001 38.000 -0.163 0.000 1.289 52 I HN -0.144 nan 8.210 nan 0.000 0.438 53 Y N 5.989 126.222 120.300 -0.111 0.000 2.341 53 Y HA 0.483 5.037 4.550 0.007 0.000 0.340 53 Y C -0.312 175.568 175.900 -0.033 0.000 0.997 53 Y CA -0.065 57.991 58.100 -0.075 0.000 1.149 53 Y CB 0.684 39.111 38.460 -0.055 0.000 1.171 53 Y HN 0.469 nan 8.280 nan 0.000 0.494 54 E N 7.734 127.417 120.200 -0.861 0.000 2.290 54 E HA 0.289 4.644 4.350 0.008 0.000 0.274 54 E C -2.853 173.292 176.600 -0.758 0.000 0.889 54 E CA -2.288 53.699 56.400 -0.689 0.000 0.760 54 E CB 2.038 31.580 29.700 -0.264 0.000 1.206 54 E HN 0.469 nan 8.360 nan 0.000 0.419 55 P HA 0.050 nan 4.420 nan 0.000 0.262 55 P C 0.825 178.023 177.300 -0.171 0.000 1.182 55 P CA 1.116 64.043 63.100 -0.287 0.000 0.761 55 P CB 0.451 32.082 31.700 -0.116 0.000 0.795 56 G N 2.236 110.971 108.800 -0.108 0.000 2.225 56 G HA2 -0.335 3.630 3.960 0.008 0.000 0.254 56 G HA3 -0.335 3.630 3.960 0.008 0.000 0.254 56 G C 0.705 175.549 174.900 -0.093 0.000 0.988 56 G CA 0.330 45.381 45.100 -0.081 0.000 0.625 56 G HN 0.553 nan 8.290 nan 0.000 0.527 57 L N 1.247 122.406 121.223 -0.105 0.000 2.072 57 L HA 0.307 4.652 4.340 0.008 0.000 0.205 57 L C 2.601 179.456 176.870 -0.024 0.000 1.079 57 L CA 3.107 57.912 54.840 -0.059 0.000 0.752 57 L CB -0.624 41.404 42.059 -0.052 0.000 0.906 57 L HN 0.385 nan 8.230 nan 0.000 0.436 58 K N -0.473 119.911 120.400 -0.027 0.000 2.020 58 K HA -0.265 4.059 4.320 0.008 0.000 0.212 58 K C 1.906 178.495 176.600 -0.018 0.000 1.050 58 K CA 2.107 58.390 56.287 -0.006 0.000 0.929 58 K CB -0.060 32.445 32.500 0.009 0.000 0.714 58 K HN 0.341 nan 8.250 nan 0.000 0.443 59 E N 0.231 120.407 120.200 -0.040 0.000 2.058 59 E HA -0.168 4.187 4.350 0.008 0.000 0.194 59 E C 1.973 178.502 176.600 -0.119 0.000 0.997 59 E CA 1.412 57.776 56.400 -0.061 0.000 0.801 59 E CB -0.233 29.428 29.700 -0.064 0.000 0.746 59 E HN 0.091 nan 8.360 nan 0.000 0.450 60 V N 0.291 120.095 119.914 -0.184 0.000 2.255 60 V HA -0.258 3.867 4.120 0.008 0.000 0.247 60 V C 2.244 178.250 176.094 -0.147 0.000 1.051 60 V CA 1.593 63.702 62.300 -0.319 0.000 1.018 60 V CB -0.524 31.115 31.823 -0.307 0.000 0.641 60 V HN 0.144 nan 8.190 nan 0.000 0.445 61 V N -0.283 119.616 119.914 -0.026 0.000 2.343 61 V HA -0.259 3.866 4.120 0.008 0.000 0.247 61 V C 2.369 178.490 176.094 0.046 0.000 1.051 61 V CA 2.083 64.427 62.300 0.073 0.000 1.036 61 V CB -0.642 31.290 31.823 0.182 0.000 0.654 61 V HN 0.610 nan 8.190 nan 0.000 0.451 62 E N 0.409 120.619 120.200 0.017 0.000 2.274 62 E HA -0.137 4.218 4.350 0.008 0.000 0.194 62 E C 2.264 178.866 176.600 0.003 0.000 0.996 62 E CA 1.233 57.640 56.400 0.012 0.000 0.840 62 E CB -0.124 29.579 29.700 0.006 0.000 0.772 62 E HN 0.754 nan 8.360 nan 0.000 0.491 63 S N -0.165 115.533 115.700 -0.003 0.000 2.489 63 S HA -0.086 4.389 4.470 0.008 0.000 0.228 63 S C 1.991 176.610 174.600 0.032 0.000 0.995 63 S CA 0.781 58.998 58.200 0.028 0.000 0.934 63 S CB -0.180 63.061 63.200 0.068 0.000 0.771 63 S HN 0.482 nan 8.310 nan 0.000 0.522 64 C N -0.737 118.563 119.300 0.001 0.000 3.911 64 C HA 0.505 4.970 4.460 0.008 0.000 0.318 64 C C 0.657 175.558 174.990 -0.147 0.000 1.643 64 C CA -1.004 57.982 59.018 -0.053 0.000 1.845 64 C CB -1.297 26.424 27.740 -0.032 0.000 2.981 64 C HN 0.471 nan 8.230 nan 0.000 0.656 65 R N 1.594 122.035 120.500 -0.099 0.000 2.484 65 R HA 0.435 4.780 4.340 0.008 0.000 0.293 65 R C 1.474 177.639 176.300 -0.226 0.000 1.023 65 R CA 1.723 57.735 56.100 -0.147 0.000 1.037 65 R CB -0.038 30.296 30.300 0.057 0.000 0.951 65 R HN 1.157 nan 8.270 nan 0.000 0.418 66 G N 3.442 111.935 108.800 -0.511 0.000 2.217 66 G HA2 -0.314 3.651 3.960 0.008 0.000 0.246 66 G HA3 -0.314 3.651 3.960 0.008 0.000 0.246 66 G C 0.627 175.367 174.900 -0.267 0.000 0.990 66 G CA 0.552 45.439 45.100 -0.355 0.000 0.627 66 G HN 0.640 nan 8.290 nan 0.000 0.522 67 K N 0.045 120.260 120.400 -0.308 0.000 2.167 67 K HA 0.129 4.454 4.320 0.008 0.000 0.214 67 K C 1.823 178.359 176.600 -0.105 0.000 1.024 67 K CA 1.030 57.244 56.287 -0.121 0.000 0.951 67 K CB -0.160 32.291 32.500 -0.083 0.000 0.907 67 K HN 0.396 nan 8.250 nan 0.000 0.459 68 N N 0.396 118.970 118.700 -0.209 0.000 2.143 68 N HA 0.044 4.789 4.740 0.008 0.000 0.222 68 N C -0.450 174.921 175.510 -0.230 0.000 1.264 68 N CA -0.163 52.841 53.050 -0.076 0.000 0.897 68 N CB 0.358 38.825 38.487 -0.033 0.000 1.092 68 N HN 0.027 nan 8.380 nan 0.000 0.516 69 L N 0.838 121.712 121.223 -0.581 0.000 2.313 69 L HA 0.669 5.014 4.340 0.008 0.000 0.283 69 L C -1.705 174.603 176.870 -0.937 0.000 1.013 69 L CA -0.648 53.856 54.840 -0.560 0.000 0.816 69 L CB 0.748 42.577 42.059 -0.383 0.000 1.236 69 L HN -0.063 nan 8.230 nan 0.000 0.419 70 F N 4.507 124.229 119.950 -0.380 0.000 2.588 70 F HA 0.597 5.129 4.527 0.008 0.000 0.310 70 F C -0.895 174.593 175.800 -0.521 0.000 1.082 70 F CA -0.411 57.425 58.000 -0.272 0.000 0.929 70 F CB 1.902 40.822 39.000 -0.134 0.000 1.254 70 F HN 0.188 nan 8.300 nan 0.000 0.455 71 F N 1.291 121.322 119.950 0.134 0.000 2.507 71 F HA 0.675 5.206 4.527 0.007 0.000 0.325 71 F C 0.053 175.906 175.800 0.089 0.000 1.116 71 F CA -0.673 57.356 58.000 0.048 0.000 0.930 71 F CB 2.184 41.205 39.000 0.035 0.000 1.146 71 F HN 0.378 nan 8.300 nan 0.000 0.447 72 S N 0.114 115.937 115.700 0.205 0.000 2.550 72 S HA 0.392 4.867 4.470 0.008 0.000 0.270 72 S C 0.290 174.950 174.600 0.100 0.000 1.145 72 S CA -0.143 58.137 58.200 0.134 0.000 0.852 72 S CB 1.423 64.668 63.200 0.076 0.000 1.119 72 S HN 0.761 nan 8.310 nan 0.000 0.465 73 T N 0.175 114.777 114.554 0.081 0.000 3.107 73 T HA 0.191 4.546 4.350 0.008 0.000 0.249 73 T C 0.528 175.252 174.700 0.040 0.000 1.096 73 T CA 0.099 62.236 62.100 0.062 0.000 1.012 73 T CB -0.462 68.440 68.868 0.057 0.000 0.977 73 T HN 0.399 nan 8.240 nan 0.000 0.527 74 N N 1.576 120.295 118.700 0.031 0.000 2.968 74 N HA 0.259 5.004 4.740 0.008 0.000 0.271 74 N C 0.814 176.328 175.510 0.007 0.000 1.174 74 N CA -0.456 52.602 53.050 0.014 0.000 1.096 74 N CB -0.552 37.936 38.487 0.001 0.000 1.403 74 N HN 0.444 nan 8.380 nan 0.000 0.522 75 I N 0.390 120.968 120.570 0.013 0.000 2.179 75 I HA -0.246 3.929 4.170 0.008 0.000 0.242 75 I C 1.293 177.411 176.117 0.002 0.000 1.088 75 I CA 0.897 62.204 61.300 0.012 0.000 1.357 75 I CB 0.061 38.073 38.000 0.020 0.000 1.051 75 I HN 0.277 nan 8.210 nan 0.000 0.409 76 D N 0.807 121.208 120.400 0.001 0.000 2.117 76 D HA -0.180 4.465 4.640 0.008 0.000 0.197 76 D C 1.799 178.090 176.300 -0.015 0.000 0.987 76 D CA 1.255 55.252 54.000 -0.005 0.000 0.829 76 D CB -0.358 40.440 40.800 -0.003 0.000 0.961 76 D HN 0.278 nan 8.370 nan 0.000 0.460 77 D N 0.257 120.646 120.400 -0.018 0.000 2.117 77 D HA -0.041 4.604 4.640 0.008 0.000 0.198 77 D C 2.029 178.308 176.300 -0.036 0.000 0.982 77 D CA 1.072 55.055 54.000 -0.029 0.000 0.828 77 D CB -0.193 40.586 40.800 -0.035 0.000 0.967 77 D HN 0.103 nan 8.370 nan 0.000 0.464 78 A N 0.645 123.445 122.820 -0.033 0.000 1.933 78 A HA -0.149 4.175 4.320 0.008 0.000 0.218 78 A C 2.365 179.930 177.584 -0.033 0.000 1.175 78 A CA 0.946 52.961 52.037 -0.037 0.000 0.628 78 A CB -0.659 18.323 19.000 -0.029 0.000 0.814 78 A HN 0.210 nan 8.150 nan 0.000 0.444 79 I N -0.756 119.798 120.570 -0.027 0.000 2.202 79 I HA -0.245 3.930 4.170 0.008 0.000 0.242 79 I C 2.491 178.583 176.117 -0.041 0.000 1.091 79 I CA 1.466 62.746 61.300 -0.032 0.000 1.368 79 I CB -0.281 37.703 38.000 -0.026 0.000 1.058 79 I HN 0.263 nan 8.210 nan 0.000 0.410 80 K N 0.717 121.095 120.400 -0.036 0.000 2.063 80 K HA -0.224 4.101 4.320 0.008 0.000 0.208 80 K C 1.990 178.570 176.600 -0.032 0.000 1.048 80 K CA 1.701 57.966 56.287 -0.036 0.000 0.928 80 K CB -0.142 32.339 32.500 -0.031 0.000 0.713 80 K HN 0.389 nan 8.250 nan 0.000 0.442 81 E N 0.388 120.568 120.200 -0.033 0.000 2.152 81 E HA -0.033 4.322 4.350 0.008 0.000 0.192 81 E C 0.359 176.947 176.600 -0.020 0.000 0.983 81 E CA 0.091 56.473 56.400 -0.030 0.000 0.818 81 E CB 0.087 29.761 29.700 -0.044 0.000 0.758 81 E HN 0.241 nan 8.360 nan 0.000 0.467 82 A N 1.554 124.357 122.820 -0.028 0.000 2.462 82 A HA -0.031 4.294 4.320 0.008 0.000 0.243 82 A C 0.439 178.022 177.584 -0.002 0.000 1.076 82 A CA -0.142 51.880 52.037 -0.026 0.000 0.773 82 A CB 0.350 19.323 19.000 -0.045 0.000 1.010 82 A HN 0.013 nan 8.150 nan 0.000 0.493 83 D N 0.080 120.500 120.400 0.033 0.000 2.216 83 D HA 0.037 4.682 4.640 0.008 0.000 0.208 83 D C 0.245 176.572 176.300 0.044 0.000 0.960 83 D CA 0.851 54.929 54.000 0.131 0.000 0.861 83 D CB 0.204 41.144 40.800 0.234 0.000 0.985 83 D HN 0.340 nan 8.370 nan 0.000 0.493 84 L N 1.432 122.630 121.223 -0.042 0.000 2.385 84 L HA 0.387 4.732 4.340 0.008 0.000 0.273 84 L C -1.453 175.296 176.870 -0.202 0.000 0.990 84 L CA -0.601 54.144 54.840 -0.158 0.000 0.821 84 L CB 2.074 44.005 42.059 -0.214 0.000 1.279 84 L HN -0.348 nan 8.230 nan 0.000 0.412 85 V N 5.527 125.317 119.914 -0.207 0.000 2.444 85 V HA 0.406 4.531 4.120 0.008 0.000 0.294 85 V C -0.339 175.678 176.094 -0.129 0.000 1.022 85 V CA -0.550 61.673 62.300 -0.128 0.000 0.850 85 V CB 1.516 33.307 31.823 -0.054 0.000 0.992 85 V HN 0.521 nan 8.190 nan 0.000 0.426 86 F N 4.613 124.564 119.950 0.002 0.000 2.396 86 F HA 0.517 5.049 4.527 0.008 0.000 0.343 86 F C 0.467 176.272 175.800 0.008 0.000 1.104 86 F CA -0.608 57.396 58.000 0.008 0.000 1.161 86 F CB 1.016 40.017 39.000 0.001 0.000 1.146 86 F HN 0.269 nan 8.300 nan 0.000 0.522 87 I N 2.575 123.277 120.570 0.220 0.000 2.312 87 I HA 0.187 4.362 4.170 0.008 0.000 0.290 87 I C 0.228 176.404 176.117 0.099 0.000 1.008 87 I CA -0.116 61.260 61.300 0.127 0.000 1.226 87 I CB 1.299 39.353 38.000 0.090 0.000 1.371 87 I HN 0.515 nan 8.210 nan 0.000 0.468 88 S N 6.770 122.508 115.700 0.062 0.000 2.474 88 S HA 0.320 4.794 4.470 0.008 0.000 0.224 88 S C -0.330 174.274 174.600 0.006 0.000 1.209 88 S CA -0.585 57.624 58.200 0.015 0.000 1.212 88 S CB -0.103 63.083 63.200 -0.025 0.000 1.137 88 S HN 0.421 nan 8.310 nan 0.000 0.446 89 V N 0.544 120.469 119.914 0.019 0.000 2.966 89 V HA 0.693 4.818 4.120 0.008 0.000 0.317 89 V C 0.245 176.352 176.094 0.021 0.000 1.070 89 V CA -1.097 61.205 62.300 0.003 0.000 1.008 89 V CB 1.010 32.848 31.823 0.024 0.000 1.070 89 V HN 0.448 nan 8.190 nan 0.000 0.457 90 N N 1.174 119.878 118.700 0.005 0.000 2.503 90 N HA 0.439 5.184 4.740 0.008 0.000 0.267 90 N C -0.115 175.488 175.510 0.155 0.000 1.214 90 N CA 0.460 53.541 53.050 0.052 0.000 0.959 90 N CB 1.042 39.546 38.487 0.028 0.000 1.142 90 N HN 1.130 nan 8.380 nan 0.000 0.455 91 T N 0.398 115.007 114.554 0.093 0.000 3.150 91 T HA 0.445 4.799 4.350 0.008 0.000 0.383 91 T C -2.715 172.008 174.700 0.038 0.000 1.313 91 T CA -1.701 60.443 62.100 0.074 0.000 1.235 91 T CB 0.952 69.836 68.868 0.026 0.000 1.088 91 T HN 0.318 nan 8.240 nan 0.000 0.556 92 P HA 0.218 nan 4.420 nan 0.000 0.272 92 P C -0.023 177.249 177.300 -0.047 0.000 1.230 92 P CA -0.103 63.004 63.100 0.011 0.000 0.788 92 P CB 0.473 32.197 31.700 0.039 0.000 0.949 93 T N 2.105 116.623 114.554 -0.060 0.000 2.930 93 T HA 0.084 4.439 4.350 0.008 0.000 0.306 93 T C 0.577 175.190 174.700 -0.145 0.000 1.045 93 T CA -0.237 61.807 62.100 -0.094 0.000 1.134 93 T CB 0.048 68.871 68.868 -0.075 0.000 0.961 93 T HN 0.249 nan 8.240 nan 0.000 0.545 94 K N 1.896 122.183 120.400 -0.189 0.000 2.436 94 K HA 0.081 4.406 4.320 0.008 0.000 0.275 94 K C 1.411 177.848 176.600 -0.272 0.000 0.999 94 K CA 0.042 56.163 56.287 -0.277 0.000 0.980 94 K CB 0.346 32.690 32.500 -0.260 0.000 0.919 94 K HN 0.772 nan 8.250 nan 0.000 0.484 95 T N -1.000 113.308 114.554 -0.411 0.000 3.054 95 T HA 0.105 4.460 4.350 0.008 0.000 0.255 95 T C -0.245 174.367 174.700 -0.147 0.000 1.035 95 T CA -0.167 61.782 62.100 -0.252 0.000 0.941 95 T CB -0.230 68.523 68.868 -0.191 0.000 1.026 95 T HN 0.585 nan 8.240 nan 0.000 0.533 96 Y N -1.925 118.357 120.300 -0.031 0.000 2.689 96 Y HA 0.691 5.246 4.550 0.008 0.000 0.333 96 Y C 0.423 176.304 175.900 -0.032 0.000 1.208 96 Y CA -1.606 56.479 58.100 -0.025 0.000 1.055 96 Y CB 0.714 39.164 38.460 -0.016 0.000 1.304 96 Y HN 0.405 nan 8.280 nan 0.000 0.455 97 G N 0.865 109.811 108.800 0.244 0.000 2.632 97 G HA2 -0.087 3.878 3.960 0.008 0.000 0.224 97 G HA3 -0.087 3.878 3.960 0.008 0.000 0.224 97 G C -0.786 174.156 174.900 0.069 0.000 1.341 97 G CA -0.540 44.655 45.100 0.159 0.000 0.880 97 G HN 0.757 nan 8.290 nan 0.000 0.566 98 M N 1.650 121.287 119.600 0.062 0.000 2.356 98 M HA 0.373 4.857 4.480 0.008 0.000 0.348 98 M C 1.639 177.923 176.300 -0.026 0.000 1.595 98 M CA 1.543 56.878 55.300 0.058 0.000 1.095 98 M CB -0.725 31.932 32.600 0.096 0.000 1.963 98 M HN 2.519 nan 8.290 nan 0.000 0.459 99 G N 3.012 111.763 108.800 -0.081 0.000 2.136 99 G HA2 -0.259 3.706 3.960 0.008 0.000 0.242 99 G HA3 -0.259 3.706 3.960 0.008 0.000 0.242 99 G C 0.301 175.015 174.900 -0.311 0.000 0.989 99 G CA 0.307 45.144 45.100 -0.438 0.000 0.682 99 G HN 0.745 nan 8.290 nan 0.000 0.522 100 K N 0.318 120.637 120.400 -0.136 0.000 2.511 100 K HA 0.265 4.589 4.320 0.008 0.000 0.277 100 K C 1.681 178.219 176.600 -0.103 0.000 1.025 100 K CA 1.596 57.825 56.287 -0.096 0.000 1.112 100 K CB -0.557 31.934 32.500 -0.014 0.000 0.859 100 K HN 1.626 nan 8.250 nan 0.000 0.485 101 G N 3.804 112.539 108.800 -0.109 0.000 2.176 101 G HA2 -0.294 3.671 3.960 0.008 0.000 0.253 101 G HA3 -0.294 3.671 3.960 0.008 0.000 0.253 101 G C 0.698 175.550 174.900 -0.081 0.000 0.979 101 G CA 0.551 45.609 45.100 -0.071 0.000 0.641 101 G HN 0.747 nan 8.290 nan 0.000 0.530 102 R N -0.611 119.796 120.500 -0.154 0.000 3.062 102 R HA 0.520 4.865 4.340 0.008 0.000 0.161 102 R C 1.307 177.470 176.300 -0.227 0.000 0.778 102 R CA 0.336 56.346 56.100 -0.151 0.000 1.168 102 R CB 0.040 30.263 30.300 -0.129 0.000 1.618 102 R HN 0.658 nan 8.270 nan 0.000 0.566 103 A N 1.860 124.406 122.820 -0.458 0.000 2.386 103 A HA 0.623 4.948 4.320 0.008 0.000 0.248 103 A C 0.102 177.577 177.584 -0.183 0.000 1.082 103 A CA -0.053 51.738 52.037 -0.410 0.000 0.789 103 A CB 0.328 18.959 19.000 -0.616 0.000 1.025 103 A HN 0.360 nan 8.150 nan 0.000 0.490 104 A N 1.269 124.038 122.820 -0.086 0.000 2.354 104 A HA 0.491 4.815 4.320 0.008 0.000 0.269 104 A C -0.114 177.425 177.584 -0.074 0.000 1.109 104 A CA -0.297 51.703 52.037 -0.062 0.000 0.800 104 A CB 0.218 19.204 19.000 -0.023 0.000 1.045 104 A HN 0.793 nan 8.150 nan 0.000 0.489 105 D N 2.295 122.641 120.400 -0.090 0.000 2.373 105 D HA 0.308 4.953 4.640 0.008 0.000 0.227 105 D C 0.444 176.682 176.300 -0.103 0.000 1.091 105 D CA -0.193 53.736 54.000 -0.118 0.000 0.840 105 D CB 0.860 41.555 40.800 -0.175 0.000 1.060 105 D HN 0.420 nan 8.370 nan 0.000 0.502 106 L N 4.093 125.265 121.223 -0.085 0.000 2.627 106 L HA -0.021 4.323 4.340 0.008 0.000 0.233 106 L C 2.355 179.168 176.870 -0.096 0.000 1.144 106 L CA 0.084 54.885 54.840 -0.064 0.000 0.892 106 L CB -0.124 41.910 42.059 -0.040 0.000 1.039 106 L HN 0.428 nan 8.230 nan 0.000 0.442 107 K N -0.360 119.921 120.400 -0.199 0.000 2.103 107 K HA -0.233 4.092 4.320 0.008 0.000 0.207 107 K C 1.604 178.090 176.600 -0.189 0.000 1.048 107 K CA 1.672 57.810 56.287 -0.248 0.000 0.930 107 K CB -0.510 31.759 32.500 -0.384 0.000 0.716 107 K HN 0.163 nan 8.250 nan 0.000 0.444 108 Y N 1.628 121.925 120.300 -0.004 0.000 2.337 108 Y HA 0.013 4.567 4.550 0.008 0.000 0.293 108 Y C 2.364 178.265 175.900 0.001 0.000 1.123 108 Y CA 0.070 58.171 58.100 0.002 0.000 1.201 108 Y CB -0.206 38.255 38.460 0.003 0.000 1.011 108 Y HN -0.032 nan 8.280 nan 0.000 0.545 109 I N 0.275 120.918 120.570 0.121 0.000 2.179 109 I HA -0.290 3.885 4.170 0.008 0.000 0.242 109 I C 2.397 178.529 176.117 0.026 0.000 1.088 109 I CA 1.750 63.085 61.300 0.057 0.000 1.357 109 I CB -1.007 37.002 38.000 0.014 0.000 1.051 109 I HN 0.338 nan 8.210 nan 0.000 0.409 110 E N 1.376 121.579 120.200 0.004 0.000 2.051 110 E HA -0.223 4.132 4.350 0.008 0.000 0.192 110 E C 2.308 178.923 176.600 0.026 0.000 0.991 110 E CA 1.575 57.969 56.400 -0.009 0.000 0.799 110 E CB 0.011 29.697 29.700 -0.023 0.000 0.748 110 E HN 0.410 nan 8.360 nan 0.000 0.449 111 A N 0.597 123.448 122.820 0.052 0.000 1.908 111 A HA -0.230 4.095 4.320 0.008 0.000 0.218 111 A C 2.510 180.143 177.584 0.083 0.000 1.181 111 A CA 1.593 53.676 52.037 0.076 0.000 0.627 111 A CB -1.042 18.029 19.000 0.117 0.000 0.818 111 A HN 0.558 nan 8.150 nan 0.000 0.445 112 C N -1.225 118.128 119.300 0.089 0.000 2.432 112 C HA 0.055 4.520 4.460 0.008 0.000 0.277 112 C C 3.343 178.397 174.990 0.106 0.000 1.249 112 C CA 0.774 59.844 59.018 0.088 0.000 1.725 112 C CB -1.384 26.407 27.740 0.084 0.000 2.028 112 C HN 0.719 nan 8.230 nan 0.000 0.477 113 A N 0.652 123.526 122.820 0.090 0.000 1.883 113 A HA -0.223 4.102 4.320 0.008 0.000 0.217 113 A C 2.222 179.944 177.584 0.230 0.000 1.186 113 A CA 1.670 53.796 52.037 0.148 0.000 0.624 113 A CB -0.578 18.368 19.000 -0.089 0.000 0.822 113 A HN 0.675 nan 8.150 nan 0.000 0.444 114 R N -1.274 119.300 120.500 0.123 0.000 2.096 114 R HA -0.108 4.236 4.340 0.008 0.000 0.235 114 R C 2.505 178.861 176.300 0.094 0.000 1.127 114 R CA 1.572 57.737 56.100 0.108 0.000 0.968 114 R CB -0.260 30.080 30.300 0.066 0.000 0.861 114 R HN 0.564 nan 8.270 nan 0.000 0.440 115 R N 0.887 121.437 120.500 0.084 0.000 2.092 115 R HA -0.039 4.306 4.340 0.008 0.000 0.231 115 R C 2.079 178.408 176.300 0.049 0.000 1.119 115 R CA 1.089 57.225 56.100 0.060 0.000 0.970 115 R CB -0.101 30.232 30.300 0.056 0.000 0.864 115 R HN 0.160 nan 8.270 nan 0.000 0.440 116 I N -0.430 120.187 120.570 0.078 0.000 2.202 116 I HA -0.246 3.929 4.170 0.008 0.000 0.242 116 I C 2.307 178.393 176.117 -0.050 0.000 1.091 116 I CA 1.014 62.331 61.300 0.028 0.000 1.368 116 I CB -0.276 37.772 38.000 0.080 0.000 1.058 116 I HN 0.110 nan 8.210 nan 0.000 0.410 117 V N 0.119 120.025 119.914 -0.014 0.000 2.427 117 V HA -0.314 3.811 4.120 0.008 0.000 0.248 117 V C 2.555 178.618 176.094 -0.051 0.000 1.051 117 V CA 2.368 64.609 62.300 -0.099 0.000 1.048 117 V CB -0.103 31.729 31.823 0.015 0.000 0.666 117 V HN 0.485 nan 8.190 nan 0.000 0.456 118 Q N 0.062 119.859 119.800 -0.005 0.000 2.124 118 Q HA -0.156 4.189 4.340 0.008 0.000 0.202 118 Q C 1.846 177.834 176.000 -0.020 0.000 0.977 118 Q CA 2.082 57.882 55.803 -0.005 0.000 0.850 118 Q CB -0.643 28.103 28.738 0.012 0.000 0.901 118 Q HN 0.911 nan 8.270 nan 0.000 0.429 119 N N -0.116 118.568 118.700 -0.027 0.000 2.268 119 N HA 0.166 4.910 4.740 0.008 0.000 0.204 119 N C -0.595 174.883 175.510 -0.053 0.000 1.124 119 N CA 0.059 53.090 53.050 -0.032 0.000 0.838 119 N CB 0.779 39.253 38.487 -0.021 0.000 0.994 119 N HN 0.140 nan 8.380 nan 0.000 0.489 120 S N 0.455 116.107 115.700 -0.079 0.000 2.503 120 S HA 0.474 4.949 4.470 0.008 0.000 0.301 120 S C -0.380 174.163 174.600 -0.094 0.000 1.087 120 S CA -0.771 57.366 58.200 -0.105 0.000 1.042 120 S CB 2.052 65.147 63.200 -0.176 0.000 1.043 120 S HN 0.141 nan 8.310 nan 0.000 0.489 121 N N 0.336 118.988 118.700 -0.079 0.000 2.357 121 N HA 0.665 5.409 4.740 0.008 0.000 0.284 121 N C 0.361 175.840 175.510 -0.052 0.000 1.236 121 N CA 0.185 53.199 53.050 -0.061 0.000 0.774 121 N CB 2.004 40.469 38.487 -0.038 0.000 1.534 121 N HN 0.874 nan 8.380 nan 0.000 0.478 122 G N 0.631 109.410 108.800 -0.035 0.000 2.539 122 G HA2 -0.315 3.650 3.960 0.008 0.000 0.256 122 G HA3 -0.315 3.650 3.960 0.008 0.000 0.256 122 G C -0.838 174.064 174.900 0.004 0.000 1.233 122 G CA 0.034 45.135 45.100 0.001 0.000 0.936 122 G HN 0.579 nan 8.290 nan 0.000 0.571 123 Y N 2.726 122.963 120.300 -0.106 0.000 2.326 123 Y HA 0.674 5.229 4.550 0.008 0.000 0.337 123 Y C 0.503 176.304 175.900 -0.166 0.000 1.023 123 Y CA -0.130 57.870 58.100 -0.167 0.000 1.143 123 Y CB 0.815 39.141 38.460 -0.224 0.000 1.183 123 Y HN 0.579 nan 8.280 nan 0.000 0.485 124 K N 6.572 126.557 120.400 -0.691 0.000 2.508 124 K HA 0.515 4.839 4.320 0.008 0.000 0.260 124 K C -1.653 174.515 176.600 -0.720 0.000 0.949 124 K CA -0.907 55.041 56.287 -0.565 0.000 0.834 124 K CB 2.576 34.894 32.500 -0.305 0.000 1.365 124 K HN 0.583 nan 8.250 nan 0.000 0.437 125 I N 2.086 122.376 120.570 -0.467 0.000 2.354 125 I HA 0.273 4.448 4.170 0.008 0.000 0.292 125 I C -0.619 175.376 176.117 -0.204 0.000 0.989 125 I CA -1.069 60.036 61.300 -0.325 0.000 1.188 125 I CB 1.693 39.575 38.000 -0.196 0.000 1.342 125 I HN 0.133 nan 8.210 nan 0.000 0.457 126 V N 5.112 124.957 119.914 -0.116 0.000 2.417 126 V HA 0.469 4.594 4.120 0.008 0.000 0.291 126 V C -0.103 175.984 176.094 -0.012 0.000 1.024 126 V CA -0.341 61.945 62.300 -0.024 0.000 0.861 126 V CB 1.802 33.722 31.823 0.162 0.000 0.985 126 V HN 0.729 nan 8.190 nan 0.000 0.436 127 T N 4.055 118.601 114.554 -0.014 0.000 2.881 127 T HA 0.347 4.701 4.350 0.008 0.000 0.291 127 T C -0.453 174.341 174.700 0.157 0.000 0.990 127 T CA -0.602 61.529 62.100 0.052 0.000 0.976 127 T CB 1.088 69.972 68.868 0.026 0.000 0.970 127 T HN 0.741 nan 8.240 nan 0.000 0.438 128 E N 2.322 122.580 120.200 0.096 0.000 2.265 128 E HA 0.169 4.524 4.350 0.008 0.000 0.272 128 E C 0.638 177.300 176.600 0.102 0.000 1.067 128 E CA -0.254 56.192 56.400 0.077 0.000 0.900 128 E CB 1.102 30.808 29.700 0.009 0.000 1.017 128 E HN 0.412 nan 8.360 nan 0.000 0.431 129 K N 1.770 122.228 120.400 0.097 0.000 2.370 129 K HA 0.023 4.348 4.320 0.008 0.000 0.194 129 K C 0.237 176.804 176.600 -0.054 0.000 1.070 129 K CA 0.082 56.376 56.287 0.011 0.000 0.998 129 K CB 0.568 33.012 32.500 -0.093 0.000 0.911 129 K HN 0.468 nan 8.250 nan 0.000 0.533 130 S N 0.424 116.105 115.700 -0.032 0.000 2.593 130 S HA 0.450 4.925 4.470 0.008 0.000 0.269 130 S C 0.180 174.740 174.600 -0.067 0.000 1.334 130 S CA -0.619 57.553 58.200 -0.047 0.000 1.015 130 S CB 1.320 64.512 63.200 -0.015 0.000 0.912 130 S HN 0.246 nan 8.310 nan 0.000 0.541 131 A N 1.517 124.288 122.820 -0.081 0.000 2.476 131 A HA 0.500 4.825 4.320 0.008 0.000 0.275 131 A C 0.372 177.924 177.584 -0.053 0.000 1.133 131 A CA -0.511 51.472 52.037 -0.090 0.000 0.797 131 A CB -1.192 17.750 19.000 -0.098 0.000 1.081 131 A HN 1.458 nan 8.150 nan 0.000 0.510 132 V N 1.071 120.957 119.914 -0.047 0.000 2.919 132 V HA 0.821 4.946 4.120 0.008 0.000 0.316 132 V C -2.494 173.591 176.094 -0.015 0.000 1.077 132 V CA -2.424 59.861 62.300 -0.026 0.000 0.977 132 V CB 1.627 33.435 31.823 -0.025 0.000 1.039 132 V HN 0.721 nan 8.190 nan 0.000 0.441 133 P HA 0.235 nan 4.420 nan 0.000 0.272 133 P C -0.196 177.125 177.300 0.035 0.000 1.230 133 P CA -0.131 62.984 63.100 0.025 0.000 0.788 133 P CB 0.986 32.710 31.700 0.041 0.000 0.949 134 V N 1.538 121.487 119.914 0.058 0.000 2.673 134 V HA 0.281 4.405 4.120 0.008 0.000 0.303 134 V C 1.778 177.943 176.094 0.118 0.000 1.046 134 V CA 1.532 63.892 62.300 0.100 0.000 1.126 134 V CB -0.692 31.202 31.823 0.117 0.000 0.934 134 V HN 1.017 nan 8.190 nan 0.000 0.487 135 R N 2.155 122.743 120.500 0.145 0.000 3.408 135 R HA -0.179 4.165 4.340 0.008 0.000 0.494 135 R C 1.517 177.832 176.300 0.024 0.000 0.800 135 R CA 1.730 57.908 56.100 0.129 0.000 1.331 135 R CB -2.674 27.714 30.300 0.147 0.000 2.035 135 R HN 1.833 nan 8.270 nan 0.000 0.464 136 A N 0.312 123.130 122.820 -0.004 0.000 1.917 136 A HA 0.288 4.613 4.320 0.008 0.000 0.219 136 A C 2.826 180.356 177.584 -0.090 0.000 1.182 136 A CA 2.846 54.860 52.037 -0.040 0.000 0.633 136 A CB -0.910 18.070 19.000 -0.034 0.000 0.819 136 A HN 2.145 nan 8.150 nan 0.000 0.448 137 A N -0.663 122.082 122.820 -0.126 0.000 1.969 137 A HA -0.141 4.184 4.320 0.008 0.000 0.218 137 A C 1.901 179.371 177.584 -0.192 0.000 1.169 137 A CA 1.604 53.531 52.037 -0.182 0.000 0.635 137 A CB -0.483 18.377 19.000 -0.233 0.000 0.810 137 A HN 0.645 nan 8.150 nan 0.000 0.445 138 E N -0.129 119.983 120.200 -0.146 0.000 2.085 138 E HA -0.137 4.218 4.350 0.008 0.000 0.194 138 E C 2.257 178.805 176.600 -0.087 0.000 0.994 138 E CA 1.425 57.776 56.400 -0.081 0.000 0.801 138 E CB -0.086 29.639 29.700 0.040 0.000 0.743 138 E HN 0.612 nan 8.360 nan 0.000 0.453 139 S N 0.451 116.097 115.700 -0.089 0.000 2.383 139 S HA -0.088 4.387 4.470 0.008 0.000 0.227 139 S C 1.982 176.469 174.600 -0.188 0.000 1.026 139 S CA 0.650 58.791 58.200 -0.099 0.000 0.981 139 S CB -0.102 63.055 63.200 -0.072 0.000 0.818 139 S HN 0.215 nan 8.310 nan 0.000 0.472 140 I N 1.084 121.493 120.570 -0.269 0.000 2.226 140 I HA -0.176 3.998 4.170 0.008 0.000 0.245 140 I C 2.826 178.532 176.117 -0.686 0.000 1.100 140 I CA 0.988 61.974 61.300 -0.523 0.000 1.374 140 I CB -0.288 37.407 38.000 -0.509 0.000 1.057 140 I HN 0.152 nan 8.210 nan 0.000 0.413 141 R N 0.918 121.189 120.500 -0.381 0.000 2.091 141 R HA -0.129 4.215 4.340 0.008 0.000 0.238 141 R C 2.382 178.614 176.300 -0.113 0.000 1.136 141 R CA 1.414 57.391 56.100 -0.206 0.000 0.959 141 R CB -0.394 29.840 30.300 -0.111 0.000 0.856 141 R HN 0.364 nan 8.270 nan 0.000 0.437 142 R N 0.092 120.528 120.500 -0.108 0.000 2.092 142 R HA -0.041 4.304 4.340 0.008 0.000 0.231 142 R C 2.401 178.683 176.300 -0.029 0.000 1.119 142 R CA 1.005 57.078 56.100 -0.044 0.000 0.970 142 R CB -0.458 29.822 30.300 -0.034 0.000 0.864 142 R HN 0.286 nan 8.270 nan 0.000 0.440 143 I N 0.231 120.750 120.570 -0.086 0.000 2.252 143 I HA -0.257 3.918 4.170 0.008 0.000 0.245 143 I C 1.989 178.181 176.117 0.126 0.000 1.102 143 I CA 1.139 62.425 61.300 -0.023 0.000 1.385 143 I CB -0.290 37.661 38.000 -0.080 0.000 1.064 143 I HN -0.037 nan 8.210 nan 0.000 0.414 144 F N 1.186 121.123 119.950 -0.022 0.000 2.134 144 F HA -0.210 4.321 4.527 0.008 0.000 0.299 144 F C 2.358 178.144 175.800 -0.023 0.000 1.097 144 F CA 1.066 59.049 58.000 -0.029 0.000 1.264 144 F CB -1.263 37.710 39.000 -0.044 0.000 1.001 144 F HN 0.134 nan 8.300 nan 0.000 0.479 145 D N -0.073 120.426 120.400 0.166 0.000 2.178 145 D HA -0.087 4.558 4.640 0.008 0.000 0.201 145 D C 2.264 178.602 176.300 0.064 0.000 0.980 145 D CA 1.351 55.404 54.000 0.089 0.000 0.842 145 D CB -0.430 40.404 40.800 0.057 0.000 0.948 145 D HN 0.224 nan 8.370 nan 0.000 0.472 146 A N 0.117 122.975 122.820 0.063 0.000 2.123 146 A HA -0.014 4.311 4.320 0.008 0.000 0.214 146 A C 1.221 178.833 177.584 0.046 0.000 1.152 146 A CA 0.496 52.560 52.037 0.044 0.000 0.728 146 A CB 0.065 19.085 19.000 0.034 0.000 0.814 146 A HN 0.092 nan 8.150 nan 0.000 0.464 147 N N 0.078 118.816 118.700 0.063 0.000 2.541 147 N HA 0.063 4.807 4.740 0.008 0.000 0.297 147 N C -0.312 175.216 175.510 0.031 0.000 1.503 147 N CA 0.055 53.134 53.050 0.049 0.000 0.919 147 N CB 0.765 39.291 38.487 0.065 0.000 1.305 147 N HN 0.260 nan 8.380 nan 0.000 0.501 148 T N 0.585 115.153 114.554 0.024 0.000 2.828 148 T HA 0.289 4.644 4.350 0.008 0.000 0.290 148 T C -0.086 174.609 174.700 -0.009 0.000 1.019 148 T CA 0.357 62.458 62.100 0.002 0.000 1.031 148 T CB 0.877 69.749 68.868 0.007 0.000 1.001 148 T HN 0.112 nan 8.240 nan 0.000 0.531 149 K N 2.514 122.900 120.400 -0.023 0.000 2.482 149 K HA 0.483 4.808 4.320 0.008 0.000 0.257 149 K C -2.806 173.781 176.600 -0.021 0.000 0.969 149 K CA -2.093 54.181 56.287 -0.022 0.000 0.842 149 K CB 1.645 34.127 32.500 -0.031 0.000 1.359 149 K HN 0.326 nan 8.250 nan 0.000 0.441 150 P HA -0.009 nan 4.420 nan 0.000 0.262 150 P C -0.624 176.666 177.300 -0.017 0.000 1.182 150 P CA 0.425 63.517 63.100 -0.013 0.000 0.761 150 P CB 0.234 31.928 31.700 -0.010 0.000 0.795 151 N N -0.974 117.717 118.700 -0.014 0.000 2.863 151 N HA -0.197 4.548 4.740 0.008 0.000 0.245 151 N C -0.227 175.270 175.510 -0.021 0.000 1.001 151 N CA 0.563 53.605 53.050 -0.013 0.000 0.901 151 N CB -1.418 37.063 38.487 -0.009 0.000 1.124 151 N HN 0.300 nan 8.380 nan 0.000 0.582 152 L N 1.884 123.084 121.223 -0.038 0.000 2.281 152 L HA 0.439 4.784 4.340 0.008 0.000 0.285 152 L C 0.158 176.982 176.870 -0.076 0.000 1.074 152 L CA -0.062 54.735 54.840 -0.071 0.000 0.817 152 L CB 0.681 42.684 42.059 -0.094 0.000 1.168 152 L HN 0.083 nan 8.230 nan 0.000 0.434 153 N N 5.511 124.157 118.700 -0.090 0.000 2.716 153 N HA 0.323 5.068 4.740 0.008 0.000 0.253 153 N C -1.743 173.637 175.510 -0.216 0.000 1.170 153 N CA -0.303 52.701 53.050 -0.077 0.000 0.807 153 N CB 0.376 38.893 38.487 0.050 0.000 1.183 153 N HN 0.593 nan 8.380 nan 0.000 0.524 154 L N 2.057 123.130 121.223 -0.251 0.000 2.275 154 L HA 0.469 4.814 4.340 0.008 0.000 0.288 154 L C 0.111 176.875 176.870 -0.177 0.000 1.046 154 L CA -0.741 53.892 54.840 -0.345 0.000 0.805 154 L CB 1.348 43.036 42.059 -0.618 0.000 1.193 154 L HN 0.213 nan 8.230 nan 0.000 0.426 155 Q N 3.142 122.799 119.800 -0.238 0.000 2.282 155 Q HA 0.474 4.819 4.340 0.008 0.000 0.260 155 Q C -0.737 175.233 176.000 -0.050 0.000 0.964 155 Q CA -0.612 55.118 55.803 -0.121 0.000 0.880 155 Q CB 2.894 31.531 28.738 -0.168 0.000 1.286 155 Q HN 0.324 nan 8.270 nan 0.000 0.445 156 V N 4.293 124.202 119.914 -0.008 0.000 2.398 156 V HA 0.491 4.616 4.120 0.008 0.000 0.286 156 V C 0.082 176.143 176.094 -0.056 0.000 1.026 156 V CA -0.466 61.828 62.300 -0.011 0.000 0.868 156 V CB 1.204 33.004 31.823 -0.039 0.000 0.982 156 V HN 0.564 nan 8.190 nan 0.000 0.443 157 L N 3.036 124.235 121.223 -0.041 0.000 2.301 157 L HA 0.681 5.026 4.340 0.008 0.000 0.264 157 L C -0.061 176.796 176.870 -0.022 0.000 1.016 157 L CA -0.520 54.300 54.840 -0.033 0.000 0.821 157 L CB 2.382 44.441 42.059 -0.000 0.000 1.346 157 L HN 0.626 nan 8.230 nan 0.000 0.429 158 S N 1.201 116.889 115.700 -0.020 0.000 2.454 158 S HA 0.380 4.855 4.470 0.008 0.000 0.306 158 S C -0.699 173.925 174.600 0.040 0.000 1.100 158 S CA -0.598 57.600 58.200 -0.004 0.000 1.087 158 S CB 0.747 63.921 63.200 -0.042 0.000 1.019 158 S HN 0.736 nan 8.310 nan 0.000 0.480 159 N N 5.015 123.759 118.700 0.073 0.000 2.725 159 N HA 0.321 5.066 4.740 0.008 0.000 0.248 159 N C -3.045 172.479 175.510 0.025 0.000 1.402 159 N CA -1.490 51.619 53.050 0.097 0.000 0.766 159 N CB 1.068 39.707 38.487 0.253 0.000 1.223 159 N HN 0.339 nan 8.380 nan 0.000 0.515 160 P HA -0.005 nan 4.420 nan 0.000 0.269 160 P C -0.624 176.481 177.300 -0.325 0.000 1.215 160 P CA 0.132 63.096 63.100 -0.227 0.000 0.780 160 P CB 0.649 32.138 31.700 -0.352 0.000 0.898 161 E N 2.532 122.500 120.200 -0.387 0.000 2.249 161 E HA 0.159 4.514 4.350 0.008 0.000 0.280 161 E C -1.436 174.833 176.600 -0.551 0.000 1.016 161 E CA -0.269 55.951 56.400 -0.298 0.000 0.830 161 E CB 0.233 29.825 29.700 -0.180 0.000 1.081 161 E HN 0.271 nan 8.360 nan 0.000 0.395 162 F N 4.782 124.720 119.950 -0.021 0.000 2.531 162 F HA 0.351 4.883 4.527 0.009 0.000 0.333 162 F C -0.407 175.392 175.800 -0.002 0.000 1.292 162 F CA -0.482 57.507 58.000 -0.020 0.000 1.184 162 F CB 0.573 39.556 39.000 -0.029 0.000 1.426 162 F HN 0.192 nan 8.300 nan 0.000 0.559 163 L N 1.555 122.831 121.223 0.089 0.000 2.342 163 L HA 0.925 5.270 4.340 0.008 0.000 0.271 163 L C -0.047 176.858 176.870 0.058 0.000 1.008 163 L CA -1.103 53.781 54.840 0.074 0.000 0.818 163 L CB 1.977 44.060 42.059 0.040 0.000 1.296 163 L HN 0.364 nan 8.230 nan 0.000 0.427 164 A N 0.952 123.814 122.820 0.069 0.000 2.356 164 A HA 0.723 5.048 4.320 0.008 0.000 0.323 164 A C -0.086 177.533 177.584 0.058 0.000 1.119 164 A CA -0.356 51.722 52.037 0.069 0.000 0.790 164 A CB 1.246 20.308 19.000 0.103 0.000 1.273 164 A HN 0.767 nan 8.150 nan 0.000 0.452 165 E N -0.310 119.930 120.200 0.066 0.000 2.415 165 E HA 0.429 4.784 4.350 0.008 0.000 0.263 165 E C 1.286 177.913 176.600 0.045 0.000 0.995 165 E CA 0.411 56.845 56.400 0.056 0.000 0.915 165 E CB -0.124 29.627 29.700 0.084 0.000 0.951 165 E HN 2.593 nan 8.360 nan 0.000 0.449 166 G N 1.342 110.152 108.800 0.016 0.000 2.258 166 G HA2 -0.286 3.679 3.960 0.008 0.000 0.233 166 G HA3 -0.286 3.679 3.960 0.008 0.000 0.233 166 G C 1.131 176.031 174.900 -0.001 0.000 1.006 166 G CA 1.136 46.239 45.100 0.005 0.000 0.620 166 G HN 1.863 nan 8.290 nan 0.000 0.511 167 T N -2.332 112.231 114.554 0.016 0.000 3.170 167 T HA 0.692 5.046 4.350 0.008 0.000 0.288 167 T C 2.020 176.738 174.700 0.029 0.000 0.992 167 T CA 1.261 63.376 62.100 0.026 0.000 0.909 167 T CB 0.742 69.638 68.868 0.047 0.000 1.133 167 T HN 1.351 nan 8.240 nan 0.000 0.530 168 A N 2.288 125.117 122.820 0.016 0.000 1.908 168 A HA 0.039 4.364 4.320 0.008 0.000 0.218 168 A C 2.138 179.740 177.584 0.031 0.000 1.181 168 A CA 1.263 53.316 52.037 0.026 0.000 0.627 168 A CB -0.603 18.404 19.000 0.012 0.000 0.818 168 A HN 0.488 nan 8.150 nan 0.000 0.445 169 I N -0.366 120.207 120.570 0.005 0.000 2.193 169 I HA -0.164 4.010 4.170 0.008 0.000 0.240 169 I C 2.277 178.416 176.117 0.037 0.000 1.084 169 I CA 1.546 62.849 61.300 0.004 0.000 1.365 169 I CB -1.406 36.573 38.000 -0.035 0.000 1.064 169 I HN 0.325 nan 8.210 nan 0.000 0.410 170 K N 0.753 121.175 120.400 0.036 0.000 2.044 170 K HA -0.226 4.099 4.320 0.008 0.000 0.210 170 K C 1.694 178.346 176.600 0.086 0.000 1.049 170 K CA 1.906 58.227 56.287 0.058 0.000 0.927 170 K CB -0.149 32.379 32.500 0.046 0.000 0.713 170 K HN 0.275 nan 8.250 nan 0.000 0.443 171 D N 0.500 120.950 120.400 0.084 0.000 2.218 171 D HA -0.119 4.526 4.640 0.008 0.000 0.204 171 D C 1.811 178.200 176.300 0.148 0.000 0.976 171 D CA 0.960 55.022 54.000 0.104 0.000 0.853 171 D CB 0.021 40.880 40.800 0.099 0.000 0.939 171 D HN 0.179 nan 8.370 nan 0.000 0.481 172 L N 0.153 121.474 121.223 0.162 0.000 2.162 172 L HA -0.016 4.328 4.340 0.008 0.000 0.205 172 L C 2.305 179.417 176.870 0.403 0.000 1.086 172 L CA 0.781 55.776 54.840 0.257 0.000 0.778 172 L CB 0.003 42.172 42.059 0.182 0.000 0.928 172 L HN -0.131 nan 8.230 nan 0.000 0.446 173 K N -0.202 120.360 120.400 0.270 0.000 2.103 173 K HA -0.082 4.243 4.320 0.008 0.000 0.204 173 K C 0.557 177.379 176.600 0.371 0.000 1.052 173 K CA 0.865 57.341 56.287 0.315 0.000 0.945 173 K CB 0.026 32.614 32.500 0.145 0.000 0.722 173 K HN 0.056 nan 8.250 nan 0.000 0.443 174 N N 0.767 119.604 118.700 0.228 0.000 2.791 174 N HA 0.140 4.884 4.740 0.008 0.000 0.265 174 N C -2.893 172.679 175.510 0.104 0.000 1.580 174 N CA -2.000 51.141 53.050 0.153 0.000 0.809 174 N CB 0.848 39.400 38.487 0.108 0.000 1.178 174 N HN -0.124 nan 8.380 nan 0.000 0.499 175 P HA 0.269 nan 4.420 nan 0.000 0.278 175 P C -0.061 177.226 177.300 -0.020 0.000 1.238 175 P CA -0.138 62.987 63.100 0.043 0.000 0.794 175 P CB 1.527 33.251 31.700 0.039 0.000 0.955 176 D N 0.924 121.291 120.400 -0.054 0.000 2.144 176 D HA -0.094 4.551 4.640 0.008 0.000 0.199 176 D C 1.034 177.254 176.300 -0.134 0.000 0.984 176 D CA 1.728 55.671 54.000 -0.094 0.000 0.834 176 D CB 0.166 40.889 40.800 -0.128 0.000 0.955 176 D HN 0.459 nan 8.370 nan 0.000 0.465 177 R N -0.890 119.504 120.500 -0.175 0.000 2.690 177 R HA 0.439 4.784 4.340 0.008 0.000 0.269 177 R C -1.824 174.369 176.300 -0.177 0.000 1.037 177 R CA -0.761 55.228 56.100 -0.185 0.000 0.877 177 R CB 0.622 30.794 30.300 -0.214 0.000 1.255 177 R HN -0.176 nan 8.270 nan 0.000 0.467 178 V N 1.999 121.794 119.914 -0.199 0.000 2.459 178 V HA 0.516 4.641 4.120 0.008 0.000 0.295 178 V C -0.672 175.317 176.094 -0.174 0.000 1.029 178 V CA -0.925 61.224 62.300 -0.252 0.000 0.874 178 V CB 1.481 32.979 31.823 -0.541 0.000 0.985 178 V HN 0.637 nan 8.190 nan 0.000 0.438 179 L N 6.916 128.100 121.223 -0.065 0.000 2.349 179 L HA 0.710 5.055 4.340 0.008 0.000 0.278 179 L C -0.841 176.027 176.870 -0.003 0.000 0.996 179 L CA 0.070 54.914 54.840 0.007 0.000 0.825 179 L CB 1.271 43.426 42.059 0.161 0.000 1.243 179 L HN 0.568 nan 8.230 nan 0.000 0.412 180 I N 4.758 125.322 120.570 -0.009 0.000 2.478 180 I HA 0.564 4.739 4.170 0.008 0.000 0.287 180 I C 0.171 176.296 176.117 0.014 0.000 1.042 180 I CA -0.552 60.757 61.300 0.015 0.000 1.067 180 I CB 2.062 40.077 38.000 0.026 0.000 1.233 180 I HN 0.750 nan 8.210 nan 0.000 0.431 181 G N 3.539 112.344 108.800 0.009 0.000 2.415 181 G HA2 0.793 4.758 3.960 0.008 0.000 0.327 181 G HA3 0.793 4.758 3.960 0.008 0.000 0.327 181 G C -0.588 174.292 174.900 -0.034 0.000 1.182 181 G CA -0.672 44.421 45.100 -0.012 0.000 0.924 181 G HN 0.814 nan 8.290 nan 0.000 0.470 182 G N 0.677 109.453 108.800 -0.040 0.000 2.660 182 G HA2 0.507 4.472 3.960 0.008 0.000 0.290 182 G HA3 0.507 4.472 3.960 0.008 0.000 0.290 182 G C -1.366 173.498 174.900 -0.061 0.000 1.432 182 G CA -0.797 44.268 45.100 -0.058 0.000 0.807 182 G HN 0.468 nan 8.290 nan 0.000 0.485 183 D N 0.213 120.570 120.400 -0.073 0.000 2.400 183 D HA 0.157 4.802 4.640 0.008 0.000 0.238 183 D C 0.464 176.766 176.300 0.002 0.000 1.157 183 D CA 0.460 54.431 54.000 -0.048 0.000 0.889 183 D CB 1.220 41.993 40.800 -0.044 0.000 1.199 183 D HN 0.422 nan 8.370 nan 0.000 0.436 184 E N 0.378 120.598 120.200 0.032 0.000 2.325 184 E HA 0.156 4.510 4.350 0.008 0.000 0.295 184 E C -0.133 176.487 176.600 0.034 0.000 1.461 184 E CA -0.259 56.165 56.400 0.040 0.000 1.698 184 E CB 0.001 29.736 29.700 0.059 0.000 1.496 184 E HN 0.370 nan 8.360 nan 0.000 0.474 185 T N -3.513 111.055 114.554 0.024 0.000 2.916 185 T HA 0.317 4.672 4.350 0.008 0.000 0.292 185 T C -2.257 172.454 174.700 0.018 0.000 1.055 185 T CA -2.408 59.705 62.100 0.022 0.000 1.009 185 T CB 1.975 70.855 68.868 0.020 0.000 1.118 185 T HN -0.252 nan 8.240 nan 0.000 0.497 186 P HA -0.107 nan 4.420 nan 0.000 0.216 186 P C 1.097 178.407 177.300 0.016 0.000 1.153 186 P CA 1.259 64.368 63.100 0.014 0.000 0.858 186 P CB 0.077 31.782 31.700 0.009 0.000 0.789 187 E N -0.672 119.538 120.200 0.018 0.000 2.051 187 E HA -0.100 4.255 4.350 0.008 0.000 0.192 187 E C 2.349 178.970 176.600 0.034 0.000 0.991 187 E CA 1.584 58.001 56.400 0.029 0.000 0.799 187 E CB -1.456 28.263 29.700 0.033 0.000 0.748 187 E HN 0.233 nan 8.360 nan 0.000 0.449 188 G N 0.616 109.428 108.800 0.020 0.000 2.418 188 G HA2 -0.273 3.692 3.960 0.008 0.000 0.217 188 G HA3 -0.273 3.692 3.960 0.008 0.000 0.217 188 G C 1.479 176.392 174.900 0.021 0.000 1.158 188 G CA 0.488 45.594 45.100 0.010 0.000 0.771 188 G HN 0.083 nan 8.290 nan 0.000 0.545 189 Q N -0.108 119.707 119.800 0.025 0.000 2.172 189 Q HA 0.010 4.355 4.340 0.008 0.000 0.200 189 Q C 2.469 178.495 176.000 0.044 0.000 0.964 189 Q CA 0.863 56.685 55.803 0.030 0.000 0.855 189 Q CB -0.278 28.475 28.738 0.025 0.000 0.918 189 Q HN 0.601 nan 8.270 nan 0.000 0.444 190 R N 0.453 120.980 120.500 0.046 0.000 2.073 190 R HA -0.087 4.258 4.340 0.008 0.000 0.234 190 R C 2.109 178.472 176.300 0.105 0.000 1.134 190 R CA 1.327 57.465 56.100 0.063 0.000 0.952 190 R CB -0.163 30.157 30.300 0.034 0.000 0.850 190 R HN 0.188 nan 8.270 nan 0.000 0.433 191 A N 0.375 123.253 122.820 0.096 0.000 1.877 191 A HA -0.113 4.212 4.320 0.008 0.000 0.216 191 A C 2.292 179.932 177.584 0.093 0.000 1.186 191 A CA 1.681 53.778 52.037 0.100 0.000 0.620 191 A CB -0.730 18.293 19.000 0.037 0.000 0.822 191 A HN 0.232 nan 8.150 nan 0.000 0.443 192 V N 0.198 120.152 119.914 0.067 0.000 2.332 192 V HA -0.294 3.831 4.120 0.008 0.000 0.248 192 V C 2.760 178.906 176.094 0.086 0.000 1.055 192 V CA 2.173 64.512 62.300 0.066 0.000 1.038 192 V CB -0.748 31.101 31.823 0.042 0.000 0.651 192 V HN 0.559 nan 8.190 nan 0.000 0.450 193 Q N -0.388 119.464 119.800 0.086 0.000 2.119 193 Q HA -0.091 4.254 4.340 0.008 0.000 0.201 193 Q C 2.420 178.490 176.000 0.117 0.000 0.972 193 Q CA 1.776 57.631 55.803 0.087 0.000 0.847 193 Q CB -0.690 28.092 28.738 0.072 0.000 0.903 193 Q HN 0.667 nan 8.270 nan 0.000 0.433 194 A N 0.683 123.600 122.820 0.162 0.000 1.902 194 A HA -0.147 4.178 4.320 0.008 0.000 0.217 194 A C 2.092 179.772 177.584 0.159 0.000 1.181 194 A CA 1.271 53.429 52.037 0.201 0.000 0.623 194 A CB -0.524 18.708 19.000 0.387 0.000 0.818 194 A HN 0.326 nan 8.150 nan 0.000 0.443 195 L N -0.606 120.711 121.223 0.156 0.000 2.179 195 L HA -0.059 4.286 4.340 0.008 0.000 0.208 195 L C 2.359 179.377 176.870 0.245 0.000 1.096 195 L CA 1.633 56.576 54.840 0.172 0.000 0.779 195 L CB -0.756 41.412 42.059 0.183 0.000 0.922 195 L HN 0.446 nan 8.230 nan 0.000 0.443 196 C N -0.311 119.105 119.300 0.193 0.000 2.413 196 C HA -0.166 4.298 4.460 0.008 0.000 0.276 196 C C 2.993 178.077 174.990 0.158 0.000 1.248 196 C CA 0.802 59.923 59.018 0.172 0.000 1.742 196 C CB -1.592 26.201 27.740 0.089 0.000 2.017 196 C HN 0.706 nan 8.230 nan 0.000 0.481 197 A N -0.000 122.898 122.820 0.131 0.000 1.972 197 A HA -0.070 4.255 4.320 0.008 0.000 0.219 197 A C 2.263 179.984 177.584 0.227 0.000 1.169 197 A CA 1.957 54.064 52.037 0.118 0.000 0.635 197 A CB -0.605 18.446 19.000 0.085 0.000 0.810 197 A HN 0.380 nan 8.150 nan 0.000 0.446 198 V N -1.450 118.582 119.914 0.198 0.000 2.261 198 V HA -0.300 3.825 4.120 0.008 0.000 0.246 198 V C 2.328 178.525 176.094 0.171 0.000 1.047 198 V CA 2.084 64.474 62.300 0.150 0.000 1.015 198 V CB -1.093 30.690 31.823 -0.066 0.000 0.642 198 V HN 0.692 nan 8.190 nan 0.000 0.446 199 Y N 0.359 120.693 120.300 0.057 0.000 2.333 199 Y HA -0.156 4.400 4.550 0.008 0.000 0.290 199 Y C 2.516 178.215 175.900 -0.334 0.000 1.144 199 Y CA 1.310 59.196 58.100 -0.357 0.000 1.228 199 Y CB -0.209 38.044 38.460 -0.345 0.000 0.985 199 Y HN 0.341 nan 8.280 nan 0.000 0.542 200 E N -0.910 119.329 120.200 0.064 0.000 2.409 200 E HA -0.184 4.171 4.350 0.008 0.000 0.198 200 E C 1.278 177.907 176.600 0.048 0.000 1.024 200 E CA 0.607 57.009 56.400 0.004 0.000 0.861 200 E CB -0.143 29.553 29.700 -0.007 0.000 0.788 200 E HN 0.665 nan 8.360 nan 0.000 0.521 201 H N -1.157 117.978 119.070 0.109 0.000 2.456 201 H HA -0.155 4.405 4.556 0.008 0.000 0.296 201 H C 1.341 176.867 175.328 0.330 0.000 1.079 201 H CA 1.826 58.004 56.048 0.216 0.000 1.322 201 H CB -0.061 29.877 29.762 0.294 0.000 1.388 201 H HN 0.504 nan 8.280 nan 0.000 0.538 202 W N -2.260 119.140 121.300 0.165 0.000 1.857 202 W HA 0.423 5.087 4.660 0.007 0.000 0.244 202 W C -1.401 175.182 176.519 0.106 0.000 0.859 202 W CA -0.150 57.262 57.345 0.113 0.000 1.112 202 W CB 0.441 29.963 29.460 0.104 0.000 0.967 202 W HN -0.303 nan 8.180 nan 0.000 0.524 203 V N 3.922 123.563 119.914 -0.455 0.000 2.398 203 V HA 0.438 4.563 4.120 0.008 0.000 0.286 203 V C -1.961 174.033 176.094 -0.166 0.000 1.026 203 V CA -2.062 60.015 62.300 -0.371 0.000 0.868 203 V CB 1.243 32.746 31.823 -0.533 0.000 0.982 203 V HN -0.253 nan 8.190 nan 0.000 0.443 204 P HA 0.165 nan 4.420 nan 0.000 0.268 204 P C 0.575 177.832 177.300 -0.071 0.000 1.205 204 P CA -0.326 62.738 63.100 -0.060 0.000 0.771 204 P CB 0.678 32.355 31.700 -0.038 0.000 0.858 205 R N 3.790 124.258 120.500 -0.053 0.000 2.117 205 R HA -0.197 4.148 4.340 0.008 0.000 0.243 205 R C 1.791 178.059 176.300 -0.053 0.000 1.143 205 R CA 1.845 57.915 56.100 -0.049 0.000 0.968 205 R CB -0.802 29.478 30.300 -0.033 0.000 0.863 205 R HN 0.559 nan 8.270 nan 0.000 0.444 206 E N 0.202 120.373 120.200 -0.048 0.000 2.409 206 E HA -0.175 4.180 4.350 0.008 0.000 0.198 206 E C 0.721 177.283 176.600 -0.063 0.000 1.024 206 E CA 1.092 57.463 56.400 -0.048 0.000 0.861 206 E CB -0.080 29.597 29.700 -0.038 0.000 0.788 206 E HN 0.347 nan 8.360 nan 0.000 0.521 207 K N 0.503 120.856 120.400 -0.078 0.000 2.374 207 K HA 0.300 4.625 4.320 0.008 0.000 0.196 207 K C 0.324 176.849 176.600 -0.126 0.000 1.023 207 K CA -0.062 56.165 56.287 -0.099 0.000 1.103 207 K CB 0.545 32.985 32.500 -0.100 0.000 0.848 207 K HN 0.117 nan 8.250 nan 0.000 0.528 208 I N 2.347 122.847 120.570 -0.116 0.000 2.307 208 I HA 0.148 4.323 4.170 0.008 0.000 0.289 208 I C -0.869 175.194 176.117 -0.090 0.000 1.021 208 I CA -0.955 60.268 61.300 -0.129 0.000 1.224 208 I CB 1.007 38.939 38.000 -0.113 0.000 1.376 208 I HN -0.098 nan 8.210 nan 0.000 0.470 209 L N 7.873 129.041 121.223 -0.092 0.000 2.287 209 L HA 0.473 4.818 4.340 0.008 0.000 0.287 209 L C 0.334 177.179 176.870 -0.041 0.000 1.022 209 L CA 0.120 54.922 54.840 -0.063 0.000 0.814 209 L CB 1.456 43.473 42.059 -0.071 0.000 1.217 209 L HN 0.657 nan 8.230 nan 0.000 0.420 210 T N 1.118 115.658 114.554 -0.024 0.000 2.867 210 T HA 0.862 5.216 4.350 0.008 0.000 0.282 210 T C 0.046 174.747 174.700 0.002 0.000 1.000 210 T CA 0.016 62.112 62.100 -0.006 0.000 1.042 210 T CB 1.505 70.374 68.868 0.003 0.000 0.973 210 T HN 0.800 nan 8.240 nan 0.000 0.465 211 T N -0.213 114.347 114.554 0.011 0.000 2.754 211 T HA 0.565 4.919 4.350 0.008 0.000 0.296 211 T C -0.394 174.325 174.700 0.031 0.000 1.205 211 T CA -1.019 61.096 62.100 0.024 0.000 1.009 211 T CB 0.914 69.799 68.868 0.029 0.000 1.368 211 T HN 0.869 nan 8.240 nan 0.000 0.509 212 N N -0.258 118.479 118.700 0.061 0.000 2.381 212 N HA 0.252 4.997 4.740 0.008 0.000 0.254 212 N C 1.049 176.571 175.510 0.020 0.000 1.264 212 N CA 0.173 53.262 53.050 0.065 0.000 0.942 212 N CB -0.140 38.454 38.487 0.179 0.000 1.190 212 N HN 0.614 nan 8.380 nan 0.000 0.495 213 T N -0.861 113.620 114.554 -0.122 0.000 2.821 213 T HA -0.080 4.275 4.350 0.008 0.000 0.267 213 T C 1.094 175.696 174.700 -0.163 0.000 1.046 213 T CA 0.978 62.938 62.100 -0.232 0.000 1.139 213 T CB -0.302 68.281 68.868 -0.475 0.000 0.871 213 T HN 0.497 nan 8.240 nan 0.000 0.454 214 W N 1.582 122.881 121.300 -0.002 0.000 2.388 214 W HA -0.001 4.664 4.660 0.007 0.000 0.294 214 W C 2.731 179.248 176.519 -0.004 0.000 1.212 214 W CA 0.383 57.725 57.345 -0.004 0.000 1.271 214 W CB -1.095 28.363 29.460 -0.005 0.000 1.126 214 W HN 0.266 nan 8.180 nan 0.000 0.535 215 S N 0.378 116.230 115.700 0.253 0.000 2.370 215 S HA -0.210 4.265 4.470 0.008 0.000 0.226 215 S C 2.024 176.678 174.600 0.089 0.000 1.033 215 S CA 1.782 60.065 58.200 0.138 0.000 1.011 215 S CB -0.628 62.635 63.200 0.105 0.000 0.852 215 S HN 0.227 nan 8.310 nan 0.000 0.457 216 S N 1.232 116.974 115.700 0.069 0.000 2.348 216 S HA -0.146 4.328 4.470 0.008 0.000 0.221 216 S C 1.836 176.459 174.600 0.038 0.000 1.033 216 S CA 1.279 59.507 58.200 0.046 0.000 1.010 216 S CB -0.351 62.860 63.200 0.018 0.000 0.891 216 S HN 0.564 nan 8.310 nan 0.000 0.442 217 E N 0.312 120.529 120.200 0.029 0.000 2.077 217 E HA -0.144 4.211 4.350 0.008 0.000 0.193 217 E C 2.071 178.691 176.600 0.032 0.000 0.989 217 E CA 1.266 57.676 56.400 0.017 0.000 0.800 217 E CB -0.294 29.419 29.700 0.022 0.000 0.746 217 E HN 0.387 nan 8.360 nan 0.000 0.452 218 L N 0.967 122.228 121.223 0.063 0.000 2.141 218 L HA -0.106 4.239 4.340 0.008 0.000 0.209 218 L C 2.083 178.969 176.870 0.026 0.000 1.094 218 L CA 1.599 56.466 54.840 0.045 0.000 0.763 218 L CB -0.324 41.773 42.059 0.063 0.000 0.908 218 L HN -0.087 nan 8.230 nan 0.000 0.437 219 S N -0.423 115.302 115.700 0.042 0.000 2.382 219 S HA -0.207 4.267 4.470 0.008 0.000 0.228 219 S C 1.906 176.562 174.600 0.094 0.000 1.027 219 S CA 1.441 59.669 58.200 0.047 0.000 0.991 219 S CB -0.272 62.971 63.200 0.071 0.000 0.823 219 S HN 0.400 nan 8.310 nan 0.000 0.469 220 K N 1.951 122.401 120.400 0.083 0.000 2.002 220 K HA 0.044 4.369 4.320 0.008 0.000 0.209 220 K C 1.850 178.459 176.600 0.016 0.000 1.048 220 K CA 1.347 57.653 56.287 0.032 0.000 0.930 220 K CB -0.734 31.679 32.500 -0.145 0.000 0.714 220 K HN 0.298 nan 8.250 nan 0.000 0.438 221 L N 0.055 121.270 121.223 -0.014 0.000 2.017 221 L HA -0.133 4.212 4.340 0.008 0.000 0.208 221 L C 2.520 179.361 176.870 -0.049 0.000 1.073 221 L CA 1.412 56.232 54.840 -0.034 0.000 0.745 221 L CB -0.748 41.283 42.059 -0.046 0.000 0.894 221 L HN 0.333 nan 8.230 nan 0.000 0.432 222 A N -0.051 122.741 122.820 -0.047 0.000 1.933 222 A HA -0.146 4.179 4.320 0.008 0.000 0.218 222 A C 2.520 180.131 177.584 0.045 0.000 1.175 222 A CA 1.643 53.651 52.037 -0.048 0.000 0.628 222 A CB -0.584 18.405 19.000 -0.018 0.000 0.814 222 A HN 0.421 nan 8.150 nan 0.000 0.444 223 A N 0.316 123.150 122.820 0.024 0.000 1.877 223 A HA -0.195 4.129 4.320 0.008 0.000 0.216 223 A C 1.942 179.584 177.584 0.097 0.000 1.186 223 A CA 1.797 53.850 52.037 0.027 0.000 0.620 223 A CB -0.601 18.443 19.000 0.073 0.000 0.822 223 A HN 0.519 nan 8.150 nan 0.000 0.443 224 N N 0.325 119.097 118.700 0.119 0.000 2.188 224 N HA -0.074 4.671 4.740 0.008 0.000 0.184 224 N C 1.840 177.445 175.510 0.159 0.000 1.018 224 N CA 1.446 54.624 53.050 0.213 0.000 0.858 224 N CB -0.517 38.070 38.487 0.166 0.000 0.989 224 N HN 0.473 nan 8.380 nan 0.000 0.426 225 A N 0.230 123.079 122.820 0.049 0.000 1.898 225 A HA -0.063 4.261 4.320 0.008 0.000 0.216 225 A C 1.988 179.633 177.584 0.102 0.000 1.181 225 A CA 0.878 52.889 52.037 -0.044 0.000 0.620 225 A CB -0.849 17.898 19.000 -0.422 0.000 0.819 225 A HN 0.152 nan 8.150 nan 0.000 0.442 226 F N 0.130 120.076 119.950 -0.008 0.000 2.126 226 F HA -0.132 4.398 4.527 0.005 0.000 0.299 226 F C 2.140 177.923 175.800 -0.028 0.000 1.096 226 F CA 1.346 59.403 58.000 0.095 0.000 1.255 226 F CB -0.495 38.540 39.000 0.060 0.000 0.997 226 F HN 0.098 nan 8.300 nan 0.000 0.479 227 L N -0.825 120.418 121.223 0.034 0.000 2.017 227 L HA -0.222 4.123 4.340 0.008 0.000 0.208 227 L C 2.707 179.410 176.870 -0.278 0.000 1.073 227 L CA 1.260 55.956 54.840 -0.240 0.000 0.745 227 L CB -1.064 40.732 42.059 -0.438 0.000 0.894 227 L HN 0.121 nan 8.230 nan 0.000 0.432 228 A N -0.650 121.893 122.820 -0.463 0.000 1.933 228 A HA -0.292 4.033 4.320 0.008 0.000 0.218 228 A C 2.251 179.671 177.584 -0.273 0.000 1.175 228 A CA 1.856 53.459 52.037 -0.723 0.000 0.628 228 A CB -0.590 17.912 19.000 -0.831 0.000 0.814 228 A HN 0.510 nan 8.150 nan 0.000 0.444 229 Q N -0.472 119.284 119.800 -0.073 0.000 2.124 229 Q HA -0.201 4.144 4.340 0.008 0.000 0.202 229 Q C 2.226 178.221 176.000 -0.009 0.000 0.977 229 Q CA 1.599 57.397 55.803 -0.008 0.000 0.850 229 Q CB -0.084 28.650 28.738 -0.006 0.000 0.901 229 Q HN 0.695 nan 8.270 nan 0.000 0.429 230 R N -0.234 120.273 120.500 0.012 0.000 2.096 230 R HA -0.101 4.244 4.340 0.008 0.000 0.235 230 R C 2.241 178.577 176.300 0.060 0.000 1.127 230 R CA 1.497 57.629 56.100 0.053 0.000 0.968 230 R CB -0.219 30.148 30.300 0.111 0.000 0.861 230 R HN 0.332 nan 8.270 nan 0.000 0.440 231 I N 0.021 120.627 120.570 0.060 0.000 2.202 231 I HA -0.226 3.948 4.170 0.008 0.000 0.242 231 I C 2.118 178.301 176.117 0.110 0.000 1.091 231 I CA 1.181 62.529 61.300 0.079 0.000 1.368 231 I CB -0.150 37.907 38.000 0.096 0.000 1.058 231 I HN 0.042 nan 8.210 nan 0.000 0.410 232 S N 0.075 115.861 115.700 0.144 0.000 2.402 232 S HA -0.139 4.336 4.470 0.008 0.000 0.229 232 S C 2.212 176.846 174.600 0.056 0.000 1.021 232 S CA 1.413 59.691 58.200 0.130 0.000 0.974 232 S CB -0.139 63.159 63.200 0.163 0.000 0.800 232 S HN 0.360 nan 8.310 nan 0.000 0.484 233 S N 1.293 117.009 115.700 0.026 0.000 2.355 233 S HA 0.015 4.490 4.470 0.008 0.000 0.222 233 S C 1.799 176.409 174.600 0.016 0.000 1.031 233 S CA 0.784 58.985 58.200 0.002 0.000 0.993 233 S CB -0.278 62.912 63.200 -0.016 0.000 0.859 233 S HN 0.379 nan 8.310 nan 0.000 0.453 234 I N 2.624 123.209 120.570 0.025 0.000 2.439 234 I HA -0.082 4.093 4.170 0.008 0.000 0.251 234 I C 1.610 177.739 176.117 0.021 0.000 1.139 234 I CA 0.966 62.278 61.300 0.021 0.000 1.438 234 I CB -0.338 37.673 38.000 0.019 0.000 1.085 234 I HN 0.113 nan 8.210 nan 0.000 0.427 235 N N 0.140 118.857 118.700 0.028 0.000 2.166 235 N HA -0.166 4.579 4.740 0.008 0.000 0.186 235 N C 2.137 177.675 175.510 0.048 0.000 1.019 235 N CA 1.599 54.663 53.050 0.023 0.000 0.856 235 N CB -0.516 37.982 38.487 0.019 0.000 0.993 235 N HN 0.532 nan 8.380 nan 0.000 0.426 236 S N 0.703 116.439 115.700 0.060 0.000 2.382 236 S HA -0.054 4.421 4.470 0.008 0.000 0.228 236 S C 1.913 176.549 174.600 0.060 0.000 1.027 236 S CA 0.601 58.848 58.200 0.079 0.000 0.991 236 S CB -0.303 62.920 63.200 0.038 0.000 0.823 236 S HN 0.086 nan 8.310 nan 0.000 0.469 237 I N 3.353 123.945 120.570 0.035 0.000 2.394 237 I HA -0.101 4.074 4.170 0.008 0.000 0.251 237 I C 2.993 179.129 176.117 0.031 0.000 1.136 237 I CA 1.491 62.807 61.300 0.027 0.000 1.425 237 I CB -1.916 36.094 38.000 0.017 0.000 1.079 237 I HN 0.629 nan 8.210 nan 0.000 0.425 238 S N 1.671 117.388 115.700 0.029 0.000 2.383 238 S HA -0.159 4.316 4.470 0.008 0.000 0.229 238 S C 2.275 176.898 174.600 0.039 0.000 1.030 238 S CA 1.168 59.383 58.200 0.025 0.000 1.002 238 S CB -0.563 62.642 63.200 0.009 0.000 0.829 238 S HN 0.390 nan 8.310 nan 0.000 0.467 239 A N 1.580 124.437 122.820 0.061 0.000 1.902 239 A HA 0.095 4.419 4.320 0.008 0.000 0.217 239 A C 2.238 179.866 177.584 0.073 0.000 1.181 239 A CA 1.552 53.641 52.037 0.085 0.000 0.623 239 A CB -0.873 18.238 19.000 0.185 0.000 0.818 239 A HN 0.520 nan 8.150 nan 0.000 0.443 240 L N -0.430 120.830 121.223 0.061 0.000 2.141 240 L HA -0.100 4.245 4.340 0.008 0.000 0.209 240 L C 2.429 179.320 176.870 0.035 0.000 1.094 240 L CA 1.475 56.341 54.840 0.043 0.000 0.763 240 L CB -0.906 41.172 42.059 0.032 0.000 0.908 240 L HN 0.500 nan 8.230 nan 0.000 0.437 241 C N -0.473 118.847 119.300 0.033 0.000 2.446 241 C HA -0.134 4.331 4.460 0.008 0.000 0.277 241 C C 2.536 177.547 174.990 0.034 0.000 1.275 241 C CA 0.724 59.758 59.018 0.028 0.000 1.727 241 C CB -0.756 26.998 27.740 0.023 0.000 2.010 241 C HN 0.551 nan 8.230 nan 0.000 0.486 242 E N 0.884 121.109 120.200 0.042 0.000 2.153 242 E HA -0.150 4.205 4.350 0.008 0.000 0.194 242 E C 2.196 178.823 176.600 0.045 0.000 0.988 242 E CA 1.358 57.787 56.400 0.049 0.000 0.811 242 E CB -0.178 29.556 29.700 0.057 0.000 0.746 242 E HN 0.698 nan 8.360 nan 0.000 0.466 243 A N 0.594 123.439 122.820 0.043 0.000 2.072 243 A HA -0.067 4.258 4.320 0.008 0.000 0.216 243 A C 2.236 179.838 177.584 0.031 0.000 1.156 243 A CA 1.478 53.537 52.037 0.038 0.000 0.701 243 A CB -0.225 18.798 19.000 0.039 0.000 0.816 243 A HN 0.345 nan 8.150 nan 0.000 0.458 244 T N -6.138 108.433 114.554 0.028 0.000 3.018 244 T HA 0.442 4.797 4.350 0.008 0.000 0.246 244 T C 1.449 176.161 174.700 0.021 0.000 1.026 244 T CA 1.184 63.297 62.100 0.022 0.000 1.081 244 T CB 0.466 69.345 68.868 0.018 0.000 0.970 244 T HN 1.526 nan 8.240 nan 0.000 0.475 245 G N 1.490 110.304 108.800 0.023 0.000 2.201 245 G HA2 0.063 4.027 3.960 0.008 0.000 0.212 245 G HA3 0.063 4.027 3.960 0.008 0.000 0.212 245 G C 0.383 175.292 174.900 0.015 0.000 0.994 245 G CA -0.082 45.030 45.100 0.020 0.000 0.644 245 G HN 1.083 nan 8.290 nan 0.000 0.508 246 A N 0.084 122.912 122.820 0.014 0.000 2.448 246 A HA 0.496 4.821 4.320 0.008 0.000 0.239 246 A C 0.193 177.782 177.584 0.008 0.000 1.080 246 A CA 0.800 52.842 52.037 0.010 0.000 0.779 246 A CB 0.361 19.367 19.000 0.010 0.000 1.026 246 A HN 0.437 nan 8.150 nan 0.000 0.499 247 D N 1.280 121.680 120.400 0.001 0.000 2.391 247 D HA 0.226 4.870 4.640 0.008 0.000 0.245 247 D C 0.763 177.060 176.300 -0.005 0.000 1.069 247 D CA -0.451 53.546 54.000 -0.005 0.000 0.831 247 D CB 1.895 42.684 40.800 -0.019 0.000 1.204 247 D HN 0.192 nan 8.370 nan 0.000 0.503 248 V N 4.571 124.484 119.914 -0.002 0.000 2.490 248 V HA -0.156 3.969 4.120 0.008 0.000 0.250 248 V C 1.887 177.977 176.094 -0.006 0.000 1.061 248 V CA 1.663 63.962 62.300 -0.001 0.000 1.064 248 V CB -0.163 31.661 31.823 0.002 0.000 0.670 248 V HN 0.530 nan 8.190 nan 0.000 0.461 249 E N -0.157 120.035 120.200 -0.014 0.000 2.107 249 E HA -0.190 4.165 4.350 0.008 0.000 0.191 249 E C 2.134 178.727 176.600 -0.012 0.000 0.982 249 E CA 1.304 57.694 56.400 -0.016 0.000 0.809 249 E CB -0.107 29.577 29.700 -0.025 0.000 0.756 249 E HN 0.750 nan 8.360 nan 0.000 0.459 250 E N 0.410 120.602 120.200 -0.012 0.000 2.051 250 E HA -0.130 4.225 4.350 0.008 0.000 0.192 250 E C 2.232 178.831 176.600 -0.002 0.000 0.991 250 E CA 1.148 57.543 56.400 -0.008 0.000 0.799 250 E CB 0.042 29.737 29.700 -0.009 0.000 0.748 250 E HN 0.020 nan 8.360 nan 0.000 0.449 251 V N 1.319 121.232 119.914 -0.000 0.000 2.358 251 V HA -0.247 3.877 4.120 0.008 0.000 0.246 251 V C 2.313 178.411 176.094 0.006 0.000 1.047 251 V CA 1.777 64.079 62.300 0.003 0.000 1.035 251 V CB -0.679 31.147 31.823 0.005 0.000 0.658 251 V HN 0.315 nan 8.190 nan 0.000 0.452 252 A N -0.101 122.722 122.820 0.005 0.000 1.933 252 A HA -0.220 4.105 4.320 0.008 0.000 0.218 252 A C 2.398 179.988 177.584 0.010 0.000 1.175 252 A CA 2.482 54.523 52.037 0.008 0.000 0.628 252 A CB -0.952 18.051 19.000 0.005 0.000 0.814 252 A HN 0.512 nan 8.150 nan 0.000 0.444 253 T N 0.404 114.961 114.554 0.006 0.000 2.708 253 T HA -0.036 4.319 4.350 0.008 0.000 0.266 253 T C 2.246 176.951 174.700 0.009 0.000 1.037 253 T CA 1.648 63.752 62.100 0.007 0.000 1.146 253 T CB -0.507 68.363 68.868 0.003 0.000 0.865 253 T HN 0.604 nan 8.240 nan 0.000 0.435 254 A N 1.142 123.966 122.820 0.007 0.000 1.877 254 A HA -0.038 4.286 4.320 0.008 0.000 0.216 254 A C 2.324 179.915 177.584 0.011 0.000 1.186 254 A CA 1.300 53.342 52.037 0.008 0.000 0.620 254 A CB -0.826 18.178 19.000 0.006 0.000 0.822 254 A HN 0.513 nan 8.150 nan 0.000 0.443 255 I N -0.472 120.105 120.570 0.012 0.000 2.179 255 I HA -0.192 3.982 4.170 0.008 0.000 0.242 255 I C 2.624 178.753 176.117 0.020 0.000 1.088 255 I CA 1.249 62.558 61.300 0.016 0.000 1.357 255 I CB -0.579 37.431 38.000 0.017 0.000 1.051 255 I HN 0.410 nan 8.210 nan 0.000 0.409 256 G N 0.168 108.981 108.800 0.022 0.000 2.509 256 G HA2 -0.152 3.813 3.960 0.008 0.000 0.218 256 G HA3 -0.152 3.813 3.960 0.008 0.000 0.218 256 G C 1.627 176.541 174.900 0.023 0.000 1.124 256 G CA 0.153 45.269 45.100 0.027 0.000 0.776 256 G HN 0.269 nan 8.290 nan 0.000 0.547 257 M N 0.483 120.094 119.600 0.018 0.000 2.562 257 M HA 0.078 4.563 4.480 0.008 0.000 0.257 257 M C 0.557 176.866 176.300 0.015 0.000 1.099 257 M CA 0.168 55.477 55.300 0.015 0.000 1.099 257 M CB 0.212 32.819 32.600 0.012 0.000 1.427 257 M HN -0.006 nan 8.290 nan 0.000 0.489 258 D N 1.474 121.883 120.400 0.016 0.000 2.358 258 D HA -0.018 4.627 4.640 0.008 0.000 0.258 258 D C 0.632 176.942 176.300 0.017 0.000 1.223 258 D CA 0.462 54.471 54.000 0.015 0.000 0.886 258 D CB 0.888 41.698 40.800 0.016 0.000 1.120 258 D HN 0.309 nan 8.370 nan 0.000 0.482 259 Q N 2.810 122.619 119.800 0.014 0.000 2.364 259 Q HA -0.122 4.223 4.340 0.008 0.000 0.209 259 Q C 1.610 177.619 176.000 0.015 0.000 0.977 259 Q CA 0.876 56.687 55.803 0.014 0.000 0.885 259 Q CB 0.308 29.052 28.738 0.010 0.000 0.941 259 Q HN 0.465 nan 8.270 nan 0.000 0.464 260 R N -0.292 120.218 120.500 0.016 0.000 2.148 260 R HA -0.012 4.333 4.340 0.008 0.000 0.223 260 R C 1.793 178.110 176.300 0.028 0.000 1.088 260 R CA 0.848 56.959 56.100 0.019 0.000 0.985 260 R CB 0.070 30.381 30.300 0.019 0.000 0.880 260 R HN 0.255 nan 8.270 nan 0.000 0.451 261 I N -0.424 120.164 120.570 0.030 0.000 2.628 261 I HA 0.130 4.305 4.170 0.008 0.000 0.255 261 I C 0.990 177.131 176.117 0.040 0.000 1.119 261 I CA 0.524 61.847 61.300 0.039 0.000 1.448 261 I CB -0.118 37.904 38.000 0.036 0.000 1.133 261 I HN 0.262 nan 8.210 nan 0.000 0.438 262 G N 2.297 111.117 108.800 0.034 0.000 2.758 262 G HA2 -0.251 3.713 3.960 0.008 0.000 0.686 262 G HA3 -0.251 3.713 3.960 0.008 0.000 0.686 262 G C -0.075 174.853 174.900 0.047 0.000 1.389 262 G CA 0.042 45.163 45.100 0.036 0.000 0.845 262 G HN 0.482 nan 8.290 nan 0.000 0.572 263 N N -0.797 117.933 118.700 0.049 0.000 2.214 263 N HA 0.147 4.892 4.740 0.008 0.000 0.214 263 N C 0.282 175.837 175.510 0.074 0.000 1.132 263 N CA 0.059 53.140 53.050 0.051 0.000 0.856 263 N CB 0.526 39.035 38.487 0.037 0.000 1.020 263 N HN 0.509 nan 8.380 nan 0.000 0.509 264 K N 0.365 120.830 120.400 0.107 0.000 2.098 264 K HA 0.256 4.580 4.320 0.008 0.000 0.261 264 K C -0.114 176.661 176.600 0.291 0.000 0.987 264 K CA -0.798 55.601 56.287 0.186 0.000 0.916 264 K CB 0.410 33.035 32.500 0.209 0.000 1.039 264 K HN 0.170 nan 8.250 nan 0.000 0.455 265 F N 0.578 120.534 119.950 0.009 0.000 3.091 265 F HA -0.247 4.281 4.527 0.002 0.000 0.288 265 F C 0.241 176.035 175.800 -0.010 0.000 0.907 265 F CA 0.138 58.135 58.000 -0.006 0.000 1.028 265 F CB -1.002 37.984 39.000 -0.022 0.000 1.022 265 F HN 0.399 nan 8.300 nan 0.000 0.665 266 L N -0.151 121.109 121.223 0.063 0.000 3.288 266 L HA 0.202 4.547 4.340 0.008 0.000 0.293 266 L C 0.356 177.222 176.870 -0.007 0.000 1.294 266 L CA -0.300 54.561 54.840 0.035 0.000 1.006 266 L CB 0.577 42.663 42.059 0.044 0.000 1.407 266 L HN -0.055 nan 8.230 nan 0.000 0.592 267 K N 2.034 122.405 120.400 -0.047 0.000 2.292 267 K HA 0.549 4.874 4.320 0.008 0.000 0.270 267 K C 0.116 176.684 176.600 -0.054 0.000 1.062 267 K CA -0.178 56.075 56.287 -0.057 0.000 0.916 267 K CB 1.114 33.560 32.500 -0.089 0.000 1.166 267 K HN 0.152 nan 8.250 nan 0.000 0.458 268 A N 3.268 126.066 122.820 -0.037 0.000 2.520 268 A HA 0.431 4.755 4.320 0.008 0.000 0.235 268 A C -0.100 177.446 177.584 -0.063 0.000 1.065 268 A CA 0.528 52.542 52.037 -0.038 0.000 0.764 268 A CB -0.125 18.858 19.000 -0.028 0.000 1.002 268 A HN 0.957 nan 8.150 nan 0.000 0.502 269 S N 0.059 115.710 115.700 -0.082 0.000 2.643 269 S HA 0.368 4.843 4.470 0.008 0.000 0.270 269 S C 0.436 174.914 174.600 -0.203 0.000 1.166 269 S CA 0.102 58.224 58.200 -0.130 0.000 0.815 269 S CB 0.823 63.967 63.200 -0.094 0.000 1.139 269 S HN 1.713 nan 8.310 nan 0.000 0.472 270 V N 0.508 120.236 119.914 -0.310 0.000 2.720 270 V HA 0.409 4.533 4.120 0.008 0.000 0.256 270 V C 0.910 176.868 176.094 -0.227 0.000 1.082 270 V CA 2.245 64.301 62.300 -0.408 0.000 1.101 270 V CB -0.359 31.122 31.823 -0.569 0.000 0.693 270 V HN 1.744 nan 8.190 nan 0.000 0.479 271 G N -0.837 107.866 108.800 -0.162 0.000 2.386 271 G HA2 0.288 4.253 3.960 0.008 0.000 0.302 271 G HA3 0.288 4.253 3.960 0.008 0.000 0.302 271 G C -0.761 174.087 174.900 -0.087 0.000 1.629 271 G CA -0.419 44.572 45.100 -0.181 0.000 0.917 271 G HN 0.651 nan 8.290 nan 0.000 0.676 272 F N 0.813 120.773 119.950 0.016 0.000 2.539 272 F HA 0.752 5.283 4.527 0.006 0.000 0.340 272 F C 0.734 176.632 175.800 0.163 0.000 1.185 272 F CA -0.102 57.957 58.000 0.098 0.000 1.333 272 F CB 0.695 39.731 39.000 0.059 0.000 1.152 272 F HN 0.843 nan 8.300 nan 0.000 0.602 273 G N -0.889 108.238 108.800 0.546 0.000 2.870 273 G HA2 0.706 4.671 3.960 0.008 0.000 0.299 273 G HA3 0.706 4.671 3.960 0.008 0.000 0.299 273 G C -0.631 174.246 174.900 -0.037 0.000 1.324 273 G CA -0.535 44.751 45.100 0.310 0.000 0.808 273 G HN 1.800 nan 8.290 nan 0.000 0.535 274 G N -1.660 106.759 108.800 -0.635 0.000 2.555 274 G HA2 0.338 4.303 3.960 0.008 0.000 0.686 274 G HA3 0.338 4.303 3.960 0.008 0.000 0.686 274 G C 0.767 175.355 174.900 -0.520 0.000 1.275 274 G CA 0.567 44.892 45.100 -1.292 0.000 0.871 274 G HN 2.006 nan 8.290 nan 0.000 0.603 275 S N -1.730 113.699 115.700 -0.452 0.000 2.650 275 S HA 0.199 4.673 4.470 0.008 0.000 0.219 275 S C 1.619 176.096 174.600 -0.205 0.000 0.960 275 S CA 1.604 59.666 58.200 -0.230 0.000 0.925 275 S CB -0.216 62.886 63.200 -0.164 0.000 0.775 275 S HN 1.085 nan 8.310 nan 0.000 0.525 276 C N -0.367 118.746 119.300 -0.312 0.000 2.426 276 C HA 0.448 4.913 4.460 0.008 0.000 0.436 276 C C 1.954 176.831 174.990 -0.190 0.000 1.380 276 C CA -0.332 58.504 59.018 -0.303 0.000 2.446 276 C CB -1.205 26.253 27.740 -0.471 0.000 2.794 276 C HN 0.524 nan 8.230 nan 0.000 0.559 277 F N 1.965 121.896 119.950 -0.032 0.000 2.031 277 F HA -0.165 4.368 4.527 0.010 0.000 0.295 277 F C 2.695 178.516 175.800 0.035 0.000 1.133 277 F CA 1.942 59.900 58.000 -0.071 0.000 1.188 277 F CB -1.391 37.460 39.000 -0.248 0.000 0.974 277 F HN 0.268 nan 8.300 nan 0.000 0.473 278 Q N 0.632 120.655 119.800 0.372 0.000 2.096 278 Q HA -0.257 4.088 4.340 0.008 0.000 0.204 278 Q C 2.347 178.438 176.000 0.153 0.000 0.982 278 Q CA 2.028 58.014 55.803 0.304 0.000 0.850 278 Q CB -0.187 28.702 28.738 0.251 0.000 0.901 278 Q HN 0.400 nan 8.270 nan 0.000 0.422 279 K N -0.073 120.380 120.400 0.089 0.000 2.020 279 K HA -0.224 4.101 4.320 0.008 0.000 0.212 279 K C 1.447 178.068 176.600 0.035 0.000 1.050 279 K CA 2.043 58.352 56.287 0.038 0.000 0.929 279 K CB -0.077 32.420 32.500 -0.006 0.000 0.714 279 K HN 0.243 nan 8.250 nan 0.000 0.443 280 D N 0.110 120.529 120.400 0.030 0.000 2.117 280 D HA -0.128 4.517 4.640 0.008 0.000 0.197 280 D C 1.971 178.278 176.300 0.013 0.000 0.987 280 D CA 1.070 55.078 54.000 0.013 0.000 0.829 280 D CB -0.213 40.592 40.800 0.007 0.000 0.961 280 D HN 0.051 nan 8.370 nan 0.000 0.460 281 V N 0.858 120.802 119.914 0.051 0.000 2.343 281 V HA -0.195 3.929 4.120 0.008 0.000 0.247 281 V C 2.559 178.705 176.094 0.086 0.000 1.051 281 V CA 1.127 63.461 62.300 0.056 0.000 1.036 281 V CB -0.423 31.487 31.823 0.146 0.000 0.654 281 V HN 0.226 nan 8.190 nan 0.000 0.451 282 L N 0.225 121.508 121.223 0.100 0.000 2.141 282 L HA -0.162 4.183 4.340 0.008 0.000 0.209 282 L C 2.484 179.421 176.870 0.111 0.000 1.094 282 L CA 1.647 56.551 54.840 0.107 0.000 0.763 282 L CB -0.673 41.438 42.059 0.085 0.000 0.908 282 L HN 0.494 nan 8.230 nan 0.000 0.437 283 N N 0.518 119.266 118.700 0.080 0.000 2.188 283 N HA -0.193 4.552 4.740 0.008 0.000 0.184 283 N C 2.006 177.585 175.510 0.115 0.000 1.018 283 N CA 0.866 53.977 53.050 0.102 0.000 0.858 283 N CB 0.156 38.672 38.487 0.049 0.000 0.989 283 N HN 0.153 nan 8.380 nan 0.000 0.426 284 L N 1.430 122.676 121.223 0.039 0.000 2.012 284 L HA -0.118 4.227 4.340 0.008 0.000 0.210 284 L C 2.328 179.235 176.870 0.060 0.000 1.073 284 L CA 1.277 56.109 54.840 -0.014 0.000 0.748 284 L CB -0.698 41.252 42.059 -0.182 0.000 0.891 284 L HN -0.034 nan 8.230 nan 0.000 0.431 285 V N -1.224 118.763 119.914 0.122 0.000 2.343 285 V HA -0.329 3.796 4.120 0.008 0.000 0.247 285 V C 2.252 178.432 176.094 0.144 0.000 1.051 285 V CA 2.006 64.406 62.300 0.166 0.000 1.036 285 V CB -0.978 30.956 31.823 0.186 0.000 0.654 285 V HN 0.613 nan 8.190 nan 0.000 0.451 286 Y N 0.593 120.924 120.300 0.052 0.000 2.200 286 Y HA -0.209 4.345 4.550 0.007 0.000 0.290 286 Y C 2.209 178.130 175.900 0.035 0.000 1.137 286 Y CA 1.743 59.867 58.100 0.040 0.000 1.163 286 Y CB -0.305 38.172 38.460 0.028 0.000 0.988 286 Y HN 0.214 nan 8.280 nan 0.000 0.518 287 L N -0.099 121.080 121.223 -0.073 0.000 2.042 287 L HA -0.234 4.111 4.340 0.008 0.000 0.210 287 L C 2.317 179.108 176.870 -0.132 0.000 1.076 287 L CA 2.009 56.770 54.840 -0.131 0.000 0.749 287 L CB -1.212 40.849 42.059 0.004 0.000 0.893 287 L HN 0.445 nan 8.230 nan 0.000 0.432 288 C N -0.261 119.008 119.300 -0.051 0.000 2.429 288 C HA -0.126 4.338 4.460 0.008 0.000 0.277 288 C C 2.551 177.507 174.990 -0.057 0.000 1.262 288 C CA 0.939 59.948 59.018 -0.015 0.000 1.733 288 C CB -0.953 26.829 27.740 0.071 0.000 2.010 288 C HN 0.599 nan 8.230 nan 0.000 0.483 289 E N 1.104 121.250 120.200 -0.090 0.000 2.051 289 E HA -0.168 4.186 4.350 0.008 0.000 0.192 289 E C 2.394 178.904 176.600 -0.150 0.000 0.991 289 E CA 1.358 57.702 56.400 -0.093 0.000 0.799 289 E CB -0.312 29.343 29.700 -0.074 0.000 0.748 289 E HN 0.655 nan 8.360 nan 0.000 0.449 290 A N 1.188 123.834 122.820 -0.291 0.000 1.940 290 A HA -0.148 4.177 4.320 0.008 0.000 0.219 290 A C 1.975 179.475 177.584 -0.139 0.000 1.176 290 A CA 1.114 52.991 52.037 -0.266 0.000 0.631 290 A CB -0.481 18.278 19.000 -0.402 0.000 0.814 290 A HN 0.158 nan 8.150 nan 0.000 0.446 291 L N -0.112 121.041 121.223 -0.116 0.000 2.688 291 L HA 0.077 4.422 4.340 0.008 0.000 0.234 291 L C -0.250 176.589 176.870 -0.052 0.000 1.192 291 L CA -0.335 54.462 54.840 -0.072 0.000 0.984 291 L CB -0.590 41.431 42.059 -0.063 0.000 1.232 291 L HN 0.376 nan 8.230 nan 0.000 0.465 292 N N 1.366 120.036 118.700 -0.050 0.000 2.705 292 N HA -0.201 4.543 4.740 0.008 0.000 0.255 292 N C -0.345 175.152 175.510 -0.021 0.000 1.008 292 N CA 0.820 53.851 53.050 -0.031 0.000 0.742 292 N CB -1.128 37.343 38.487 -0.027 0.000 0.906 292 N HN 0.386 nan 8.380 nan 0.000 0.541 293 L N 0.488 121.702 121.223 -0.014 0.000 2.679 293 L HA 0.220 4.565 4.340 0.008 0.000 0.238 293 L C -1.192 175.691 176.870 0.022 0.000 1.330 293 L CA -1.276 53.566 54.840 0.004 0.000 0.935 293 L CB 1.182 43.248 42.059 0.012 0.000 1.243 293 L HN -0.056 nan 8.230 nan 0.000 0.484 294 P HA -0.124 nan 4.420 nan 0.000 0.219 294 P C 0.888 178.212 177.300 0.040 0.000 1.150 294 P CA 1.132 64.249 63.100 0.028 0.000 0.814 294 P CB 0.597 32.307 31.700 0.016 0.000 0.787 295 E N -0.070 120.147 120.200 0.028 0.000 2.110 295 E HA -0.097 4.258 4.350 0.008 0.000 0.193 295 E C 2.118 178.750 176.600 0.053 0.000 0.988 295 E CA 0.927 57.343 56.400 0.026 0.000 0.804 295 E CB -1.066 28.632 29.700 -0.002 0.000 0.745 295 E HN 0.065 nan 8.360 nan 0.000 0.458 296 V N 0.819 120.774 119.914 0.068 0.000 2.379 296 V HA -0.196 3.929 4.120 0.008 0.000 0.245 296 V C 2.198 178.451 176.094 0.265 0.000 1.044 296 V CA 1.520 63.903 62.300 0.139 0.000 1.036 296 V CB -0.816 31.099 31.823 0.153 0.000 0.664 296 V HN 0.337 nan 8.190 nan 0.000 0.453 297 A N 1.712 124.650 122.820 0.196 0.000 1.873 297 A HA -0.298 4.027 4.320 0.008 0.000 0.218 297 A C 2.366 180.059 177.584 0.182 0.000 1.193 297 A CA 2.489 54.645 52.037 0.198 0.000 0.629 297 A CB -0.638 18.431 19.000 0.115 0.000 0.826 297 A HN 0.678 nan 8.150 nan 0.000 0.447 298 R N -2.137 118.434 120.500 0.118 0.000 2.237 298 R HA -0.120 4.225 4.340 0.008 0.000 0.219 298 R C 1.956 178.283 176.300 0.045 0.000 1.080 298 R CA 1.640 57.784 56.100 0.073 0.000 0.995 298 R CB -0.612 29.714 30.300 0.043 0.000 0.875 298 R HN 0.591 nan 8.270 nan 0.000 0.462 299 Y N 0.171 120.412 120.300 -0.098 0.000 2.184 299 Y HA -0.095 4.460 4.550 0.007 0.000 0.290 299 Y C 1.272 176.962 175.900 -0.351 0.000 1.129 299 Y CA 1.427 59.355 58.100 -0.288 0.000 1.144 299 Y CB -0.183 38.027 38.460 -0.416 0.000 0.995 299 Y HN 0.037 nan 8.280 nan 0.000 0.513 300 W N 0.159 121.519 121.300 0.100 0.000 2.518 300 W HA -0.053 4.610 4.660 0.005 0.000 0.273 300 W C 2.405 178.921 176.519 -0.005 0.000 1.247 300 W CA 0.843 58.203 57.345 0.024 0.000 1.288 300 W CB -0.283 29.237 29.460 0.099 0.000 1.107 300 W HN 0.098 nan 8.180 nan 0.000 0.586 301 Q N 0.495 120.405 119.800 0.184 0.000 2.226 301 Q HA -0.204 4.141 4.340 0.008 0.000 0.204 301 Q C 2.041 178.071 176.000 0.050 0.000 0.975 301 Q CA 1.463 57.339 55.803 0.122 0.000 0.866 301 Q CB -0.426 28.368 28.738 0.092 0.000 0.915 301 Q HN 0.149 nan 8.270 nan 0.000 0.440 302 Q N -0.679 119.096 119.800 -0.041 0.000 2.234 302 Q HA -0.095 4.250 4.340 0.008 0.000 0.206 302 Q C 1.999 177.979 176.000 -0.033 0.000 0.980 302 Q CA 1.245 56.995 55.803 -0.088 0.000 0.869 302 Q CB -0.171 28.438 28.738 -0.215 0.000 0.912 302 Q HN 0.343 nan 8.270 nan 0.000 0.436 303 V N 0.791 120.719 119.914 0.024 0.000 2.427 303 V HA -0.223 3.901 4.120 0.008 0.000 0.248 303 V C 2.179 178.400 176.094 0.211 0.000 1.051 303 V CA 1.136 63.511 62.300 0.125 0.000 1.048 303 V CB -0.364 31.580 31.823 0.201 0.000 0.666 303 V HN 0.250 nan 8.190 nan 0.000 0.456 304 I N 0.029 120.707 120.570 0.180 0.000 2.277 304 I HA -0.099 4.076 4.170 0.008 0.000 0.243 304 I C 2.231 178.373 176.117 0.042 0.000 1.094 304 I CA 1.296 62.678 61.300 0.136 0.000 1.393 304 I CB -1.317 36.758 38.000 0.124 0.000 1.078 304 I HN 0.300 nan 8.210 nan 0.000 0.417 305 D N 0.391 120.815 120.400 0.040 0.000 2.144 305 D HA -0.214 4.431 4.640 0.008 0.000 0.199 305 D C 2.084 178.408 176.300 0.039 0.000 0.984 305 D CA 1.092 55.105 54.000 0.022 0.000 0.834 305 D CB -0.184 40.616 40.800 0.001 0.000 0.955 305 D HN 0.156 nan 8.370 nan 0.000 0.465 306 M N 0.717 120.342 119.600 0.042 0.000 2.132 306 M HA -0.093 4.391 4.480 0.008 0.000 0.263 306 M C 1.545 177.888 176.300 0.071 0.000 1.065 306 M CA 1.354 56.707 55.300 0.088 0.000 1.122 306 M CB -0.572 32.064 32.600 0.061 0.000 1.365 306 M HN -0.163 nan 8.290 nan 0.000 0.411 307 N N 0.391 119.073 118.700 -0.030 0.000 2.120 307 N HA -0.169 4.576 4.740 0.008 0.000 0.188 307 N C 1.154 176.547 175.510 -0.195 0.000 1.024 307 N CA 1.818 54.735 53.050 -0.222 0.000 0.852 307 N CB -0.241 37.896 38.487 -0.583 0.000 1.003 307 N HN 0.391 nan 8.380 nan 0.000 0.424 308 D N -1.163 119.162 120.400 -0.125 0.000 2.144 308 D HA -0.158 4.487 4.640 0.008 0.000 0.200 308 D C 1.608 177.913 176.300 0.008 0.000 0.978 308 D CA 0.718 54.665 54.000 -0.087 0.000 0.833 308 D CB -0.434 40.334 40.800 -0.053 0.000 0.961 308 D HN 0.451 nan 8.370 nan 0.000 0.470 309 Y N 1.481 121.742 120.300 -0.066 0.000 2.200 309 Y HA -0.204 4.350 4.550 0.007 0.000 0.290 309 Y C 2.393 178.263 175.900 -0.051 0.000 1.137 309 Y CA 1.682 59.753 58.100 -0.048 0.000 1.163 309 Y CB -0.353 38.083 38.460 -0.040 0.000 0.988 309 Y HN -0.147 nan 8.280 nan 0.000 0.518 310 Q N 0.775 120.440 119.800 -0.226 0.000 2.061 310 Q HA -0.213 4.132 4.340 0.008 0.000 0.204 310 Q C 2.311 178.179 176.000 -0.221 0.000 0.984 310 Q CA 2.380 58.002 55.803 -0.301 0.000 0.846 310 Q CB -0.215 28.425 28.738 -0.162 0.000 0.902 310 Q HN 0.502 nan 8.270 nan 0.000 0.421 311 R N -0.451 119.963 120.500 -0.144 0.000 2.083 311 R HA -0.136 4.208 4.340 0.008 0.000 0.237 311 R C 2.546 178.797 176.300 -0.081 0.000 1.137 311 R CA 1.726 57.798 56.100 -0.047 0.000 0.951 311 R CB -0.385 29.922 30.300 0.011 0.000 0.851 311 R HN 0.231 nan 8.270 nan 0.000 0.434 312 R N 1.369 121.767 120.500 -0.169 0.000 2.066 312 R HA -0.140 4.204 4.340 0.008 0.000 0.232 312 R C 2.367 178.451 176.300 -0.359 0.000 1.131 312 R CA 1.823 57.694 56.100 -0.381 0.000 0.955 312 R CB -0.119 30.061 30.300 -0.200 0.000 0.851 312 R HN 0.247 nan 8.270 nan 0.000 0.432 313 R N -0.719 119.579 120.500 -0.336 0.000 2.152 313 R HA -0.148 4.197 4.340 0.008 0.000 0.232 313 R C 2.038 178.231 176.300 -0.179 0.000 1.117 313 R CA 1.381 57.303 56.100 -0.296 0.000 0.981 313 R CB -0.831 29.204 30.300 -0.441 0.000 0.870 313 R HN 0.222 nan 8.270 nan 0.000 0.451 314 F N 2.283 122.064 119.950 -0.282 0.000 2.084 314 F HA 0.003 4.536 4.527 0.010 0.000 0.296 314 F C 2.557 178.197 175.800 -0.267 0.000 1.111 314 F CA 1.397 59.267 58.000 -0.217 0.000 1.224 314 F CB -0.546 38.362 39.000 -0.154 0.000 0.991 314 F HN 0.129 nan 8.300 nan 0.000 0.471 315 A N -0.635 122.037 122.820 -0.247 0.000 1.892 315 A HA -0.217 4.108 4.320 0.008 0.000 0.218 315 A C 2.396 179.726 177.584 -0.424 0.000 1.188 315 A CA 2.232 54.046 52.037 -0.372 0.000 0.631 315 A CB -1.379 17.375 19.000 -0.409 0.000 0.822 315 A HN 0.430 nan 8.150 nan 0.000 0.447 316 S N -0.871 114.604 115.700 -0.374 0.000 2.382 316 S HA -0.147 4.328 4.470 0.008 0.000 0.228 316 S C 2.074 176.493 174.600 -0.301 0.000 1.027 316 S CA 1.333 59.357 58.200 -0.293 0.000 0.991 316 S CB -0.292 62.775 63.200 -0.222 0.000 0.823 316 S HN 0.605 nan 8.310 nan 0.000 0.469 317 R N 0.626 120.914 120.500 -0.353 0.000 2.073 317 R HA -0.025 4.320 4.340 0.008 0.000 0.234 317 R C 2.206 178.156 176.300 -0.583 0.000 1.134 317 R CA 1.549 57.437 56.100 -0.353 0.000 0.952 317 R CB -0.586 29.538 30.300 -0.293 0.000 0.850 317 R HN 0.392 nan 8.270 nan 0.000 0.433 318 I N 0.650 120.640 120.570 -0.966 0.000 2.151 318 I HA -0.326 3.849 4.170 0.008 0.000 0.243 318 I C 2.253 177.990 176.117 -0.635 0.000 1.080 318 I CA 1.551 62.113 61.300 -1.229 0.000 1.339 318 I CB -0.303 37.035 38.000 -1.103 0.000 1.039 318 I HN 0.149 nan 8.210 nan 0.000 0.409 319 I N 0.278 120.591 120.570 -0.428 0.000 2.286 319 I HA -0.242 3.932 4.170 0.008 0.000 0.245 319 I C 1.984 177.989 176.117 -0.187 0.000 1.104 319 I CA 1.188 62.331 61.300 -0.261 0.000 1.397 319 I CB -0.446 37.440 38.000 -0.191 0.000 1.072 319 I HN 0.196 nan 8.210 nan 0.000 0.417 320 D N 0.490 120.785 120.400 -0.174 0.000 2.178 320 D HA -0.120 4.524 4.640 0.008 0.000 0.201 320 D C 2.342 178.613 176.300 -0.049 0.000 0.980 320 D CA 1.130 55.086 54.000 -0.074 0.000 0.842 320 D CB -0.087 40.677 40.800 -0.060 0.000 0.948 320 D HN 0.175 nan 8.370 nan 0.000 0.472 321 S N 0.179 115.760 115.700 -0.198 0.000 2.402 321 S HA -0.004 4.471 4.470 0.008 0.000 0.229 321 S C 1.680 176.046 174.600 -0.389 0.000 1.021 321 S CA 0.428 58.437 58.200 -0.318 0.000 0.974 321 S CB 0.058 62.926 63.200 -0.554 0.000 0.800 321 S HN 0.284 nan 8.310 nan 0.000 0.484 322 L N 0.675 121.715 121.223 -0.304 0.000 2.783 322 L HA 0.403 4.747 4.340 0.008 0.000 0.236 322 L C -0.166 176.679 176.870 -0.043 0.000 1.225 322 L CA -0.054 54.643 54.840 -0.239 0.000 1.026 322 L CB -0.777 41.152 42.059 -0.216 0.000 1.314 322 L HN 0.244 nan 8.230 nan 0.000 0.489 323 F N -0.011 119.898 119.950 -0.068 0.000 2.988 323 F HA -0.352 4.180 4.527 0.008 0.000 0.287 323 F C 1.115 176.882 175.800 -0.055 0.000 0.781 323 F CA 0.372 58.348 58.000 -0.040 0.000 1.221 323 F CB -1.272 37.724 39.000 -0.008 0.000 1.392 323 F HN 0.572 nan 8.300 nan 0.000 0.425 324 N N 0.333 119.086 118.700 0.087 0.000 2.776 324 N HA -0.203 4.542 4.740 0.008 0.000 0.250 324 N C -0.497 175.019 175.510 0.011 0.000 1.112 324 N CA 1.551 54.611 53.050 0.017 0.000 0.733 324 N CB -0.773 37.720 38.487 0.009 0.000 1.097 324 N HN 0.452 nan 8.380 nan 0.000 0.558 325 T N -1.062 113.500 114.554 0.013 0.000 3.078 325 T HA 0.489 4.844 4.350 0.008 0.000 0.328 325 T C 0.354 175.012 174.700 -0.071 0.000 0.987 325 T CA -0.254 61.839 62.100 -0.013 0.000 1.049 325 T CB 0.508 69.390 68.868 0.022 0.000 1.011 325 T HN -0.056 nan 8.240 nan 0.000 0.463 326 V N 3.298 123.154 119.914 -0.098 0.000 3.643 326 V HA 0.173 4.298 4.120 0.008 0.000 0.280 326 V C 1.334 177.332 176.094 -0.160 0.000 1.351 326 V CA 0.205 62.413 62.300 -0.154 0.000 1.073 326 V CB 0.241 31.985 31.823 -0.132 0.000 0.863 326 V HN 0.855 nan 8.190 nan 0.000 0.436 327 T N 2.191 116.673 114.554 -0.121 0.000 2.822 327 T HA -0.005 4.350 4.350 0.008 0.000 0.288 327 T C 0.487 175.084 174.700 -0.172 0.000 0.991 327 T CA 0.572 62.590 62.100 -0.136 0.000 1.176 327 T CB -0.181 68.642 68.868 -0.074 0.000 0.951 327 T HN 0.545 nan 8.240 nan 0.000 0.526 328 D N -0.542 119.658 120.400 -0.334 0.000 2.811 328 D HA -0.147 4.498 4.640 0.008 0.000 0.231 328 D C 0.393 176.629 176.300 -0.107 0.000 1.157 328 D CA 1.679 55.472 54.000 -0.344 0.000 0.716 328 D CB -1.480 39.287 40.800 -0.055 0.000 1.077 328 D HN 0.819 nan 8.370 nan 0.000 0.428 329 K N 0.733 121.036 120.400 -0.161 0.000 2.156 329 K HA 0.453 4.778 4.320 0.008 0.000 0.271 329 K C 0.259 176.906 176.600 0.079 0.000 0.995 329 K CA -0.660 55.565 56.287 -0.104 0.000 0.890 329 K CB 1.401 33.616 32.500 -0.476 0.000 1.073 329 K HN 0.169 nan 8.250 nan 0.000 0.454 330 K N 2.588 123.147 120.400 0.265 0.000 2.227 330 K HA 0.512 4.836 4.320 0.008 0.000 0.280 330 K C -1.022 175.710 176.600 0.220 0.000 1.041 330 K CA -0.343 56.095 56.287 0.252 0.000 0.905 330 K CB 0.364 32.952 32.500 0.146 0.000 1.068 330 K HN 0.653 nan 8.250 nan 0.000 0.470 331 I N 3.030 123.718 120.570 0.197 0.000 2.545 331 I HA 0.332 4.506 4.170 0.008 0.000 0.292 331 I C -0.458 175.762 176.117 0.172 0.000 1.040 331 I CA -1.131 60.269 61.300 0.167 0.000 1.068 331 I CB 2.100 40.172 38.000 0.120 0.000 1.251 331 I HN 0.665 nan 8.210 nan 0.000 0.424 332 A N 7.184 130.092 122.820 0.146 0.000 2.301 332 A HA 0.698 5.023 4.320 0.008 0.000 0.298 332 A C -0.547 177.115 177.584 0.130 0.000 1.185 332 A CA -0.385 51.731 52.037 0.132 0.000 0.830 332 A CB 0.397 19.443 19.000 0.076 0.000 1.112 332 A HN 0.506 nan 8.150 nan 0.000 0.508 333 I N 3.897 124.556 120.570 0.148 0.000 2.328 333 I HA 0.238 4.413 4.170 0.008 0.000 0.287 333 I C -0.474 175.725 176.117 0.137 0.000 1.012 333 I CA -0.172 61.224 61.300 0.159 0.000 1.195 333 I CB 0.797 38.926 38.000 0.216 0.000 1.350 333 I HN 0.507 nan 8.210 nan 0.000 0.464 334 L N 5.834 127.075 121.223 0.029 0.000 2.255 334 L HA 0.681 5.025 4.340 0.008 0.000 0.289 334 L C 0.541 177.499 176.870 0.146 0.000 1.046 334 L CA -0.411 54.352 54.840 -0.129 0.000 0.816 334 L CB 1.197 42.755 42.059 -0.835 0.000 1.197 334 L HN 0.860 nan 8.230 nan 0.000 0.427 335 G N 2.347 111.433 108.800 0.478 0.000 3.338 335 G HA2 -0.232 3.732 3.960 0.008 0.000 0.686 335 G HA3 -0.232 3.732 3.960 0.008 0.000 0.686 335 G C -0.761 174.421 174.900 0.469 0.000 1.053 335 G CA -0.554 44.939 45.100 0.655 0.000 0.852 335 G HN 0.577 nan 8.290 nan 0.000 0.545 336 F N 2.217 122.334 119.950 0.278 0.000 2.778 336 F HA 0.637 5.169 4.527 0.009 0.000 0.314 336 F C 1.752 177.665 175.800 0.188 0.000 1.073 336 F CA 1.176 59.285 58.000 0.182 0.000 1.218 336 F CB 0.362 39.426 39.000 0.106 0.000 1.037 336 F HN 1.021 nan 8.300 nan 0.000 0.594 337 A N 0.704 123.733 122.820 0.348 0.000 2.448 337 A HA 0.149 4.474 4.320 0.008 0.000 0.239 337 A C 0.872 178.486 177.584 0.049 0.000 1.080 337 A CA 0.167 52.325 52.037 0.202 0.000 0.779 337 A CB -0.498 18.613 19.000 0.185 0.000 1.026 337 A HN 0.561 nan 8.150 nan 0.000 0.499 338 F N 0.134 120.088 119.950 0.006 0.000 2.502 338 F HA 0.197 4.729 4.527 0.007 0.000 0.298 338 F C 0.615 176.395 175.800 -0.034 0.000 1.111 338 F CA 0.815 58.810 58.000 -0.009 0.000 1.445 338 F CB -0.262 38.757 39.000 0.031 0.000 1.081 338 F HN 0.605 nan 8.300 nan 0.000 0.558 339 K N 0.286 120.218 120.400 -0.781 0.000 2.615 339 K HA 0.316 4.641 4.320 0.008 0.000 0.291 339 K C -1.195 174.921 176.600 -0.807 0.000 1.017 339 K CA -1.190 54.670 56.287 -0.712 0.000 0.882 339 K CB 1.203 33.207 32.500 -0.826 0.000 1.522 339 K HN 0.144 nan 8.250 nan 0.000 0.412 340 K N 0.535 120.432 120.400 -0.838 0.000 2.336 340 K HA 0.073 4.398 4.320 0.008 0.000 0.262 340 K C -0.856 175.104 176.600 -1.065 0.000 0.992 340 K CA 0.371 55.866 56.287 -1.320 0.000 0.927 340 K CB -0.018 31.951 32.500 -0.884 0.000 0.956 340 K HN 0.663 nan 8.250 nan 0.000 0.495 341 D N -0.493 119.097 120.400 -1.349 0.000 2.746 341 D HA -0.148 4.496 4.640 0.008 0.000 0.236 341 D C -0.822 175.373 176.300 -0.175 0.000 1.129 341 D CA 1.683 55.446 54.000 -0.395 0.000 0.691 341 D CB -1.359 39.317 40.800 -0.206 0.000 1.077 341 D HN 0.766 nan 8.370 nan 0.000 0.432 342 T N -2.808 111.672 114.554 -0.124 0.000 2.786 342 T HA 0.574 4.929 4.350 0.008 0.000 0.316 342 T C 0.813 175.623 174.700 0.182 0.000 1.503 342 T CA -0.003 62.116 62.100 0.032 0.000 1.019 342 T CB 1.573 70.394 68.868 -0.078 0.000 1.415 342 T HN -0.033 nan 8.240 nan 0.000 0.496 343 G N 0.826 109.729 108.800 0.172 0.000 3.126 343 G HA2 0.189 4.154 3.960 0.008 0.000 0.224 343 G HA3 0.189 4.154 3.960 0.008 0.000 0.224 343 G C 0.160 175.173 174.900 0.188 0.000 1.142 343 G CA -0.074 45.135 45.100 0.182 0.000 0.759 343 G HN 0.647 nan 8.290 nan 0.000 0.550 344 D N 1.169 121.691 120.400 0.203 0.000 2.383 344 D HA 0.195 4.840 4.640 0.008 0.000 0.252 344 D C 1.580 178.095 176.300 0.358 0.000 1.166 344 D CA 0.279 54.445 54.000 0.276 0.000 0.879 344 D CB 1.392 42.420 40.800 0.380 0.000 1.164 344 D HN 0.113 nan 8.370 nan 0.000 0.462 345 T N 0.609 115.332 114.554 0.283 0.000 3.054 345 T HA 0.195 4.550 4.350 0.008 0.000 0.255 345 T C 0.912 175.715 174.700 0.172 0.000 1.035 345 T CA -0.433 61.823 62.100 0.260 0.000 0.941 345 T CB 0.062 69.108 68.868 0.297 0.000 1.026 345 T HN 0.217 nan 8.240 nan 0.000 0.533 346 R N 2.626 123.199 120.500 0.120 0.000 2.502 346 R HA 0.073 4.417 4.340 0.008 0.000 0.292 346 R C 0.115 176.397 176.300 -0.030 0.000 0.998 346 R CA 0.097 56.203 56.100 0.010 0.000 1.056 346 R CB -0.011 30.257 30.300 -0.053 0.000 0.939 346 R HN 0.273 nan 8.270 nan 0.000 0.411 347 E N -0.204 120.022 120.200 0.042 0.000 2.494 347 E HA -0.238 4.117 4.350 0.008 0.000 0.249 347 E C -0.435 176.269 176.600 0.173 0.000 1.184 347 E CA 1.038 57.525 56.400 0.146 0.000 0.727 347 E CB -1.384 28.377 29.700 0.102 0.000 1.281 347 E HN 0.569 nan 8.360 nan 0.000 0.405 348 S N -0.310 115.458 115.700 0.113 0.000 2.516 348 S HA 0.178 4.653 4.470 0.008 0.000 0.282 348 S C 1.459 176.105 174.600 0.077 0.000 1.286 348 S CA 0.305 58.561 58.200 0.094 0.000 1.066 348 S CB 0.889 64.059 63.200 -0.052 0.000 0.884 348 S HN 0.212 nan 8.310 nan 0.000 0.491 349 S N 3.995 119.759 115.700 0.108 0.000 2.440 349 S HA -0.100 4.375 4.470 0.008 0.000 0.238 349 S C 2.030 176.661 174.600 0.053 0.000 1.010 349 S CA 1.438 59.711 58.200 0.121 0.000 0.972 349 S CB -0.262 62.954 63.200 0.026 0.000 0.774 349 S HN 0.795 nan 8.310 nan 0.000 0.501 350 S N 1.610 117.239 115.700 -0.119 0.000 2.399 350 S HA 0.014 4.489 4.470 0.008 0.000 0.231 350 S C 1.709 176.109 174.600 -0.334 0.000 1.022 350 S CA 0.830 58.891 58.200 -0.232 0.000 0.983 350 S CB -0.348 62.597 63.200 -0.424 0.000 0.803 350 S HN 0.477 nan 8.310 nan 0.000 0.480 351 I N 0.050 120.314 120.570 -0.510 0.000 2.179 351 I HA -0.227 3.948 4.170 0.008 0.000 0.242 351 I C 2.016 177.961 176.117 -0.286 0.000 1.088 351 I CA 1.559 62.610 61.300 -0.416 0.000 1.357 351 I CB -0.353 37.318 38.000 -0.550 0.000 1.051 351 I HN 0.284 nan 8.210 nan 0.000 0.409 352 Y N -0.149 120.117 120.300 -0.055 0.000 2.286 352 Y HA -0.124 4.431 4.550 0.008 0.000 0.293 352 Y C 2.425 178.392 175.900 0.111 0.000 1.124 352 Y CA 0.557 58.641 58.100 -0.025 0.000 1.178 352 Y CB -0.118 38.345 38.460 0.004 0.000 1.010 352 Y HN 0.011 nan 8.280 nan 0.000 0.536 353 I N -0.426 120.325 120.570 0.300 0.000 2.127 353 I HA -0.303 3.872 4.170 0.008 0.000 0.241 353 I C 2.339 178.590 176.117 0.223 0.000 1.075 353 I CA 1.385 62.869 61.300 0.308 0.000 1.334 353 I CB -1.538 36.618 38.000 0.259 0.000 1.040 353 I HN 0.093 nan 8.210 nan 0.000 0.405 354 S N 0.647 116.438 115.700 0.152 0.000 2.359 354 S HA -0.185 4.290 4.470 0.008 0.000 0.224 354 S C 1.906 176.552 174.600 0.078 0.000 1.035 354 S CA 1.222 59.504 58.200 0.136 0.000 1.018 354 S CB -0.213 63.111 63.200 0.207 0.000 0.876 354 S HN 0.430 nan 8.310 nan 0.000 0.448 355 K N -0.062 120.338 120.400 0.000 0.000 2.147 355 K HA -0.107 4.217 4.320 0.008 0.000 0.205 355 K C 1.810 178.369 176.600 -0.067 0.000 1.049 355 K CA 1.244 57.478 56.287 -0.088 0.000 0.936 355 K CB -0.297 32.078 32.500 -0.208 0.000 0.722 355 K HN 0.480 nan 8.250 nan 0.000 0.446 356 Y N 1.072 121.391 120.300 0.032 0.000 2.200 356 Y HA -0.151 4.404 4.550 0.008 0.000 0.290 356 Y C 2.213 178.107 175.900 -0.009 0.000 1.137 356 Y CA 0.808 58.917 58.100 0.015 0.000 1.163 356 Y CB -0.129 38.337 38.460 0.010 0.000 0.988 356 Y HN -0.059 nan 8.280 nan 0.000 0.518 357 L N -0.913 120.398 121.223 0.147 0.000 2.093 357 L HA -0.247 4.097 4.340 0.008 0.000 0.208 357 L C 2.277 179.172 176.870 0.040 0.000 1.085 357 L CA 1.251 56.127 54.840 0.060 0.000 0.755 357 L CB -0.546 41.538 42.059 0.042 0.000 0.904 357 L HN 0.324 nan 8.230 nan 0.000 0.435 358 M N -0.376 119.251 119.600 0.045 0.000 2.202 358 M HA -0.234 4.251 4.480 0.008 0.000 0.262 358 M C 1.666 177.981 176.300 0.024 0.000 1.063 358 M CA 1.573 56.891 55.300 0.030 0.000 1.097 358 M CB -0.415 32.196 32.600 0.018 0.000 1.382 358 M HN 0.128 nan 8.290 nan 0.000 0.413 359 D N 0.153 120.572 120.400 0.032 0.000 2.348 359 D HA -0.103 4.542 4.640 0.008 0.000 0.216 359 D C 1.542 177.862 176.300 0.033 0.000 0.970 359 D CA 0.846 54.868 54.000 0.037 0.000 0.889 359 D CB 0.178 41.005 40.800 0.046 0.000 0.912 359 D HN 0.216 nan 8.370 nan 0.000 0.524 360 E N -0.889 119.324 120.200 0.022 0.000 2.474 360 E HA 0.185 4.540 4.350 0.008 0.000 0.195 360 E C 1.481 178.061 176.600 -0.034 0.000 1.039 360 E CA 0.590 56.986 56.400 -0.006 0.000 0.881 360 E CB 0.560 30.247 29.700 -0.021 0.000 0.970 360 E HN 0.304 nan 8.360 nan 0.000 0.486 361 G N 1.375 110.155 108.800 -0.033 0.000 2.157 361 G HA2 -0.297 3.668 3.960 0.008 0.000 0.248 361 G HA3 -0.297 3.668 3.960 0.008 0.000 0.248 361 G C 0.587 175.394 174.900 -0.156 0.000 0.979 361 G CA 0.157 45.212 45.100 -0.075 0.000 0.650 361 G HN 0.507 nan 8.290 nan 0.000 0.529 362 A N 0.446 123.206 122.820 -0.099 0.000 2.520 362 A HA 0.490 4.815 4.320 0.008 0.000 0.235 362 A C 0.317 177.889 177.584 -0.020 0.000 1.065 362 A CA 0.191 52.173 52.037 -0.092 0.000 0.764 362 A CB 0.066 19.052 19.000 -0.023 0.000 1.002 362 A HN 0.491 nan 8.150 nan 0.000 0.502 363 H N 2.170 121.284 119.070 0.073 0.000 2.690 363 H HA 0.349 4.909 4.556 0.008 0.000 0.289 363 H C -0.334 175.097 175.328 0.171 0.000 1.089 363 H CA -0.343 55.772 56.048 0.112 0.000 1.299 363 H CB 0.433 30.288 29.762 0.154 0.000 1.405 363 H HN 0.474 nan 8.280 nan 0.000 0.463 364 L N 4.112 125.474 121.223 0.232 0.000 2.326 364 L HA 0.251 4.596 4.340 0.008 0.000 0.278 364 L C 0.550 177.509 176.870 0.149 0.000 1.092 364 L CA -0.262 54.694 54.840 0.193 0.000 0.810 364 L CB 0.798 42.930 42.059 0.121 0.000 1.153 364 L HN 0.513 nan 8.230 nan 0.000 0.439 365 H N 4.955 124.076 119.070 0.086 0.000 2.638 365 H HA 0.448 5.009 4.556 0.008 0.000 0.317 365 H C -0.637 174.737 175.328 0.078 0.000 1.006 365 H CA -0.511 55.576 56.048 0.065 0.000 1.222 365 H CB 1.897 31.695 29.762 0.061 0.000 1.419 365 H HN 0.418 nan 8.280 nan 0.000 0.489 366 I N 4.239 124.877 120.570 0.113 0.000 2.339 366 I HA 0.113 4.288 4.170 0.008 0.000 0.290 366 I C -0.783 175.415 176.117 0.135 0.000 0.994 366 I CA -0.746 60.622 61.300 0.114 0.000 1.191 366 I CB 1.090 39.099 38.000 0.014 0.000 1.343 366 I HN 0.454 nan 8.210 nan 0.000 0.458 367 Y N 6.607 126.944 120.300 0.062 0.000 2.393 367 Y HA 0.518 5.072 4.550 0.007 0.000 0.341 367 Y C -1.001 174.971 175.900 0.121 0.000 0.988 367 Y CA -0.591 57.540 58.100 0.052 0.000 1.078 367 Y CB 1.351 39.827 38.460 0.026 0.000 1.203 367 Y HN 0.534 nan 8.280 nan 0.000 0.453 368 D N 7.379 127.248 120.400 -0.885 0.000 2.977 368 D HA 0.229 4.874 4.640 0.008 0.000 0.220 368 D C -2.522 173.139 176.300 -1.065 0.000 1.267 368 D CA -1.712 51.844 54.000 -0.741 0.000 0.884 368 D CB 3.183 43.914 40.800 -0.115 0.000 1.667 368 D HN 0.370 nan 8.370 nan 0.000 0.536 369 P HA 0.073 nan 4.420 nan 0.000 0.241 369 P C 0.675 177.669 177.300 -0.510 0.000 1.191 369 P CA 0.504 63.128 63.100 -0.793 0.000 0.771 369 P CB 0.849 32.035 31.700 -0.857 0.000 0.929 370 K N -0.863 119.294 120.400 -0.405 0.000 2.544 370 K HA 0.142 4.467 4.320 0.008 0.000 0.213 370 K C 0.013 176.594 176.600 -0.031 0.000 1.392 370 K CA 0.168 56.374 56.287 -0.135 0.000 0.980 370 K CB 1.120 33.639 32.500 0.031 0.000 1.177 370 K HN -0.192 nan 8.250 nan 0.000 0.570 371 V N 5.038 124.948 119.914 -0.006 0.000 2.485 371 V HA 0.111 4.235 4.120 0.008 0.000 0.287 371 V C -2.246 173.825 176.094 -0.038 0.000 1.022 371 V CA -1.174 61.149 62.300 0.038 0.000 1.067 371 V CB 0.387 32.284 31.823 0.124 0.000 0.967 371 V HN 0.190 nan 8.190 nan 0.000 0.479 372 P HA 0.141 nan 4.420 nan 0.000 0.269 372 P C 0.813 178.068 177.300 -0.074 0.000 1.209 372 P CA -0.410 62.663 63.100 -0.046 0.000 0.776 372 P CB 0.471 32.156 31.700 -0.025 0.000 0.876 373 R N 1.608 122.058 120.500 -0.083 0.000 2.105 373 R HA -0.179 4.166 4.340 0.008 0.000 0.239 373 R C 1.251 177.486 176.300 -0.109 0.000 1.135 373 R CA 1.382 57.417 56.100 -0.108 0.000 0.967 373 R CB -0.717 29.532 30.300 -0.085 0.000 0.861 373 R HN 0.226 nan 8.270 nan 0.000 0.442 374 E N 0.811 120.967 120.200 -0.073 0.000 2.204 374 E HA -0.173 4.181 4.350 0.008 0.000 0.194 374 E C 1.908 178.474 176.600 -0.057 0.000 0.989 374 E CA 1.132 57.496 56.400 -0.059 0.000 0.824 374 E CB -0.158 29.520 29.700 -0.037 0.000 0.756 374 E HN 0.389 nan 8.360 nan 0.000 0.477 375 Q N 0.231 120.001 119.800 -0.050 0.000 2.119 375 Q HA -0.030 4.314 4.340 0.008 0.000 0.201 375 Q C 1.994 177.954 176.000 -0.066 0.000 0.972 375 Q CA 1.208 56.997 55.803 -0.023 0.000 0.847 375 Q CB -0.194 28.558 28.738 0.022 0.000 0.903 375 Q HN 0.348 nan 8.270 nan 0.000 0.433 376 I N -0.950 119.494 120.570 -0.210 0.000 2.163 376 I HA -0.245 3.929 4.170 0.008 0.000 0.240 376 I C 2.052 178.005 176.117 -0.274 0.000 1.081 376 I CA 0.862 61.872 61.300 -0.483 0.000 1.353 376 I CB -0.437 37.138 38.000 -0.709 0.000 1.054 376 I HN 0.026 nan 8.210 nan 0.000 0.407 377 V N 0.840 120.644 119.914 -0.183 0.000 2.282 377 V HA -0.274 3.851 4.120 0.008 0.000 0.249 377 V C 2.496 178.548 176.094 -0.071 0.000 1.057 377 V CA 1.918 64.150 62.300 -0.113 0.000 1.032 377 V CB -0.626 31.146 31.823 -0.085 0.000 0.645 377 V HN 0.258 nan 8.190 nan 0.000 0.447 378 V N 0.043 119.927 119.914 -0.050 0.000 2.295 378 V HA -0.265 3.860 4.120 0.008 0.000 0.246 378 V C 2.283 178.367 176.094 -0.016 0.000 1.049 378 V CA 2.222 64.508 62.300 -0.023 0.000 1.024 378 V CB -0.834 30.985 31.823 -0.006 0.000 0.648 378 V HN 0.519 nan 8.190 nan 0.000 0.447 379 D N 0.245 120.652 120.400 0.011 0.000 2.182 379 D HA -0.112 4.532 4.640 0.008 0.000 0.201 379 D C 1.754 178.059 176.300 0.008 0.000 0.986 379 D CA 1.281 55.313 54.000 0.053 0.000 0.847 379 D CB -0.111 40.830 40.800 0.234 0.000 0.942 379 D HN 0.378 nan 8.370 nan 0.000 0.467 380 L N -0.127 121.089 121.223 -0.013 0.000 2.628 380 L HA 0.139 4.484 4.340 0.008 0.000 0.229 380 L C 0.766 177.562 176.870 -0.123 0.000 1.137 380 L CA -0.103 54.704 54.840 -0.055 0.000 0.909 380 L CB 0.343 42.385 42.059 -0.028 0.000 1.137 380 L HN -0.219 nan 8.230 nan 0.000 0.470 381 S N -1.772 113.864 115.700 -0.107 0.000 2.693 381 S HA 0.359 4.834 4.470 0.008 0.000 0.276 381 S C -0.073 174.419 174.600 -0.180 0.000 1.192 381 S CA -0.546 57.588 58.200 -0.110 0.000 0.994 381 S CB 0.978 64.162 63.200 -0.027 0.000 1.012 381 S HN 0.187 nan 8.310 nan 0.000 0.550 389 D N 2.064 122.500 120.400 0.060 0.000 2.123 389 D HA -0.130 4.514 4.640 0.008 0.000 0.200 389 D C 2.132 178.464 176.300 0.054 0.000 0.976 389 D CA 1.682 55.708 54.000 0.044 0.000 0.831 389 D CB 0.278 41.099 40.800 0.034 0.000 0.974 389 D HN 0.666 nan 8.370 nan 0.000 0.469 390 Q N 1.039 120.889 119.800 0.083 0.000 2.112 390 Q HA -0.157 4.187 4.340 0.008 0.000 0.206 390 Q C 2.489 178.516 176.000 0.046 0.000 0.987 390 Q CA 1.769 57.620 55.803 0.079 0.000 0.858 390 Q CB -1.215 27.593 28.738 0.117 0.000 0.905 390 Q HN 0.262 nan 8.270 nan 0.000 0.420 391 V N 1.433 121.362 119.914 0.025 0.000 2.270 391 V HA -0.255 3.870 4.120 0.008 0.000 0.245 391 V C 2.883 178.969 176.094 -0.013 0.000 1.043 391 V CA 2.293 64.589 62.300 -0.006 0.000 1.014 391 V CB -0.740 31.067 31.823 -0.028 0.000 0.645 391 V HN 0.897 nan 8.190 nan 0.000 0.447 392 S N 1.113 116.808 115.700 -0.009 0.000 2.399 392 S HA -0.224 4.251 4.470 0.008 0.000 0.231 392 S C 2.191 176.776 174.600 -0.025 0.000 1.022 392 S CA 1.791 59.977 58.200 -0.023 0.000 0.983 392 S CB -0.553 62.638 63.200 -0.015 0.000 0.803 392 S HN 0.598 nan 8.310 nan 0.000 0.480 393 R N 1.166 121.668 120.500 0.005 0.000 2.090 393 R HA 0.425 4.769 4.340 0.008 0.000 0.228 393 R C 2.368 178.687 176.300 0.031 0.000 1.110 393 R CA 1.505 57.617 56.100 0.020 0.000 0.973 393 R CB -1.344 28.994 30.300 0.063 0.000 0.869 393 R HN 0.636 nan 8.270 nan 0.000 0.440 394 L N -0.573 120.694 121.223 0.073 0.000 2.575 394 L HA 0.306 4.650 4.340 0.008 0.000 0.228 394 L C -0.148 176.762 176.870 0.066 0.000 1.075 394 L CA -0.002 54.947 54.840 0.182 0.000 0.867 394 L CB 1.069 43.228 42.059 0.165 0.000 1.097 394 L HN 0.034 nan 8.230 nan 0.000 0.485 395 V N 0.356 120.256 119.914 -0.024 0.000 2.394 395 V HA 0.358 4.483 4.120 0.008 0.000 0.282 395 V C -0.172 175.820 176.094 -0.170 0.000 1.031 395 V CA -0.222 62.030 62.300 -0.080 0.000 0.881 395 V CB 1.452 33.234 31.823 -0.068 0.000 0.982 395 V HN 0.102 nan 8.190 nan 0.000 0.451 396 T N 6.077 120.458 114.554 -0.288 0.000 2.841 396 T HA 0.625 4.979 4.350 0.008 0.000 0.283 396 T C -0.344 174.217 174.700 -0.231 0.000 1.000 396 T CA -0.312 61.572 62.100 -0.359 0.000 0.977 396 T CB 1.500 69.885 68.868 -0.804 0.000 0.979 396 T HN 0.366 nan 8.240 nan 0.000 0.446 397 I N 2.734 123.220 120.570 -0.141 0.000 2.330 397 I HA 0.292 4.467 4.170 0.008 0.000 0.289 397 I C 0.221 176.334 176.117 -0.007 0.000 1.001 397 I CA -0.584 60.669 61.300 -0.078 0.000 1.193 397 I CB 1.360 39.300 38.000 -0.100 0.000 1.345 397 I HN 0.546 nan 8.210 nan 0.000 0.461 398 S N 4.477 120.222 115.700 0.074 0.000 2.525 398 S HA 0.270 4.745 4.470 0.008 0.000 0.278 398 S C 1.165 175.881 174.600 0.193 0.000 1.234 398 S CA -0.610 57.673 58.200 0.138 0.000 1.058 398 S CB 1.703 65.013 63.200 0.183 0.000 0.983 398 S HN 0.757 nan 8.310 nan 0.000 0.495 399 K N 1.001 121.484 120.400 0.139 0.000 2.366 399 K HA 0.059 4.384 4.320 0.008 0.000 0.198 399 K C 0.162 176.866 176.600 0.173 0.000 1.044 399 K CA 1.498 57.878 56.287 0.153 0.000 0.973 399 K CB -0.702 31.843 32.500 0.076 0.000 0.767 399 K HN 0.901 nan 8.250 nan 0.000 0.475 400 D N -3.845 116.568 120.400 0.021 0.000 2.661 400 D HA 0.282 4.926 4.640 0.008 0.000 0.228 400 D C -2.525 173.484 176.300 -0.485 0.000 1.210 400 D CA -1.858 51.937 54.000 -0.343 0.000 0.826 400 D CB 1.700 42.426 40.800 -0.123 0.000 1.542 400 D HN -0.153 nan 8.370 nan 0.000 0.447 401 P HA -0.181 nan 4.420 nan 0.000 0.216 401 P C 0.957 178.010 177.300 -0.413 0.000 1.150 401 P CA 1.330 64.046 63.100 -0.640 0.000 0.837 401 P CB -0.081 31.137 31.700 -0.803 0.000 0.786 402 Y N 0.414 120.601 120.300 -0.188 0.000 2.274 402 Y HA -0.130 4.425 4.550 0.008 0.000 0.290 402 Y C 2.786 178.636 175.900 -0.082 0.000 1.145 402 Y CA 1.075 59.103 58.100 -0.121 0.000 1.203 402 Y CB -1.026 37.366 38.460 -0.113 0.000 0.984 402 Y HN 0.010 nan 8.280 nan 0.000 0.533 403 E N 0.717 120.949 120.200 0.054 0.000 2.051 403 E HA -0.201 4.154 4.350 0.008 0.000 0.192 403 E C 2.347 178.950 176.600 0.005 0.000 0.991 403 E CA 1.194 57.616 56.400 0.037 0.000 0.799 403 E CB -0.199 29.537 29.700 0.060 0.000 0.748 403 E HN 0.394 nan 8.360 nan 0.000 0.449 404 A N 0.244 123.076 122.820 0.020 0.000 1.972 404 A HA -0.167 4.157 4.320 0.008 0.000 0.219 404 A C 2.567 180.135 177.584 -0.027 0.000 1.169 404 A CA 1.466 53.532 52.037 0.048 0.000 0.635 404 A CB -0.728 18.337 19.000 0.109 0.000 0.810 404 A HN 0.458 nan 8.150 nan 0.000 0.446 405 C N -0.236 119.044 119.300 -0.034 0.000 2.495 405 C HA 0.062 4.527 4.460 0.008 0.000 0.275 405 C C 1.018 176.000 174.990 -0.012 0.000 1.392 405 C CA -0.314 58.699 59.018 -0.008 0.000 1.766 405 C CB -1.049 26.687 27.740 -0.006 0.000 1.933 405 C HN 0.589 nan 8.230 nan 0.000 0.519 406 D N 0.617 120.999 120.400 -0.030 0.000 2.402 406 D HA 0.280 4.925 4.640 0.008 0.000 0.268 406 D C 1.245 177.497 176.300 -0.081 0.000 1.294 406 D CA 1.503 55.479 54.000 -0.040 0.000 0.945 406 D CB -0.133 40.648 40.800 -0.032 0.000 1.112 406 D HN 0.569 nan 8.370 nan 0.000 0.517 407 G N 2.733 111.488 108.800 -0.074 0.000 2.143 407 G HA2 -0.159 3.806 3.960 0.008 0.000 0.248 407 G HA3 -0.159 3.806 3.960 0.008 0.000 0.248 407 G C 0.440 175.288 174.900 -0.086 0.000 0.991 407 G CA 0.336 45.380 45.100 -0.093 0.000 0.689 407 G HN 0.893 nan 8.290 nan 0.000 0.522 408 A N -0.410 122.382 122.820 -0.046 0.000 2.340 408 A HA 0.697 5.022 4.320 0.008 0.000 0.268 408 A C 1.128 178.738 177.584 0.043 0.000 1.100 408 A CA 0.352 52.412 52.037 0.039 0.000 0.803 408 A CB 0.299 19.341 19.000 0.069 0.000 1.043 408 A HN 0.440 nan 8.150 nan 0.000 0.488 409 H N 0.919 120.034 119.070 0.076 0.000 2.395 409 H HA 0.151 4.712 4.556 0.008 0.000 0.299 409 H C 0.871 176.336 175.328 0.228 0.000 1.070 409 H CA 1.477 57.600 56.048 0.125 0.000 1.356 409 H CB 0.310 30.143 29.762 0.119 0.000 1.401 409 H HN 0.736 nan 8.280 nan 0.000 0.524 410 A N 0.873 123.906 122.820 0.354 0.000 2.498 410 A HA 0.526 4.851 4.320 0.008 0.000 0.298 410 A C -1.017 176.728 177.584 0.268 0.000 1.075 410 A CA -0.517 51.742 52.037 0.370 0.000 0.714 410 A CB 2.110 21.350 19.000 0.400 0.000 1.299 410 A HN -0.009 nan 8.150 nan 0.000 0.407 411 V N 1.756 121.827 119.914 0.262 0.000 2.409 411 V HA 0.464 4.589 4.120 0.008 0.000 0.291 411 V C -0.632 175.583 176.094 0.202 0.000 1.020 411 V CA -0.470 61.934 62.300 0.174 0.000 0.848 411 V CB 1.488 33.379 31.823 0.112 0.000 0.990 411 V HN 0.650 nan 8.190 nan 0.000 0.430 412 V N 6.667 126.689 119.914 0.180 0.000 2.334 412 V HA 0.453 4.578 4.120 0.008 0.000 0.281 412 V C 0.016 176.211 176.094 0.168 0.000 1.016 412 V CA -0.396 62.041 62.300 0.228 0.000 0.832 412 V CB 1.493 33.434 31.823 0.197 0.000 0.999 412 V HN 0.685 nan 8.190 nan 0.000 0.439 413 I N 4.250 124.923 120.570 0.173 0.000 2.337 413 I HA 0.164 4.338 4.170 0.008 0.000 0.291 413 I C 0.748 176.980 176.117 0.192 0.000 1.046 413 I CA 0.108 61.478 61.300 0.117 0.000 1.324 413 I CB 0.838 38.904 38.000 0.109 0.000 1.409 413 I HN 0.676 nan 8.210 nan 0.000 0.494 414 C N 3.266 122.684 119.300 0.197 0.000 3.019 414 C HA 0.177 4.642 4.460 0.008 0.000 0.295 414 C C 0.921 175.990 174.990 0.131 0.000 1.256 414 C CA 0.222 59.330 59.018 0.151 0.000 1.706 414 C CB -0.146 27.685 27.740 0.152 0.000 2.153 414 C HN 0.738 nan 8.230 nan 0.000 0.618 415 T N 1.693 116.397 114.554 0.250 0.000 2.881 415 T HA 0.190 4.545 4.350 0.008 0.000 0.290 415 T C 0.267 175.098 174.700 0.220 0.000 1.000 415 T CA -0.188 62.016 62.100 0.174 0.000 0.978 415 T CB 1.362 70.353 68.868 0.206 0.000 0.997 415 T HN 0.337 nan 8.240 nan 0.000 0.443 416 E N 1.817 122.006 120.200 -0.018 0.000 2.322 416 E HA -0.047 4.308 4.350 0.008 0.000 0.195 416 E C -0.736 175.820 176.600 -0.073 0.000 1.198 416 E CA -0.483 55.921 56.400 0.006 0.000 1.132 416 E CB -0.370 29.294 29.700 -0.061 0.000 1.213 416 E HN 0.645 nan 8.360 nan 0.000 0.450 417 W N 1.812 123.025 121.300 -0.144 0.000 2.343 417 W HA -0.031 4.636 4.660 0.011 0.000 0.337 417 W C 1.184 177.518 176.519 -0.308 0.000 1.320 417 W CA -0.085 57.043 57.345 -0.362 0.000 1.290 417 W CB 0.497 29.480 29.460 -0.796 0.000 1.206 417 W HN 0.104 nan 8.180 nan 0.000 0.565 418 D N 3.125 123.568 120.400 0.071 0.000 2.149 418 D HA -0.247 4.397 4.640 0.008 0.000 0.198 418 D C 2.246 178.576 176.300 0.050 0.000 0.990 418 D CA 2.061 56.095 54.000 0.057 0.000 0.839 418 D CB -0.317 40.516 40.800 0.055 0.000 0.948 418 D HN 0.592 nan 8.370 nan 0.000 0.460 419 M N -0.793 118.796 119.600 -0.017 0.000 2.337 419 M HA -0.157 4.328 4.480 0.008 0.000 0.261 419 M C 1.513 177.891 176.300 0.129 0.000 1.067 419 M CA 1.394 56.692 55.300 -0.004 0.000 1.074 419 M CB -0.596 31.956 32.600 -0.080 0.000 1.395 419 M HN -0.191 nan 8.290 nan 0.000 0.431 420 F N 2.273 122.323 119.950 0.166 0.000 2.407 420 F HA -0.004 4.527 4.527 0.006 0.000 0.299 420 F C 2.305 178.242 175.800 0.228 0.000 1.097 420 F CA 1.126 59.225 58.000 0.166 0.000 1.422 420 F CB -0.859 38.264 39.000 0.204 0.000 1.067 420 F HN 0.367 nan 8.300 nan 0.000 0.539 421 K N -0.215 120.393 120.400 0.346 0.000 2.432 421 K HA -0.033 4.292 4.320 0.008 0.000 0.196 421 K C 0.848 177.614 176.600 0.276 0.000 1.038 421 K CA 1.023 57.480 56.287 0.283 0.000 0.986 421 K CB -0.209 32.394 32.500 0.173 0.000 0.782 421 K HN 0.077 nan 8.250 nan 0.000 0.485 422 E N 1.271 121.605 120.200 0.223 0.000 2.479 422 E HA 0.128 4.482 4.350 0.008 0.000 0.193 422 E C 0.504 177.187 176.600 0.138 0.000 1.049 422 E CA 0.002 56.501 56.400 0.164 0.000 0.870 422 E CB 0.000 29.768 29.700 0.113 0.000 0.944 422 E HN 0.329 nan 8.360 nan 0.000 0.492 423 L N 1.779 123.052 121.223 0.084 0.000 2.467 423 L HA 0.047 4.392 4.340 0.008 0.000 0.270 423 L C 0.792 177.583 176.870 -0.131 0.000 1.205 423 L CA -0.178 54.570 54.840 -0.153 0.000 0.828 423 L CB 0.211 41.902 42.059 -0.613 0.000 1.101 423 L HN -0.141 nan 8.230 nan 0.000 0.479 424 D N 0.739 121.161 120.400 0.037 0.000 2.470 424 D HA 0.036 4.681 4.640 0.008 0.000 0.226 424 D C 0.563 176.907 176.300 0.074 0.000 1.196 424 D CA 0.127 54.187 54.000 0.099 0.000 0.979 424 D CB 0.259 41.116 40.800 0.096 0.000 1.059 424 D HN 0.275 nan 8.370 nan 0.000 0.515 425 Y N 1.533 121.951 120.300 0.195 0.000 2.314 425 Y HA -0.093 4.462 4.550 0.009 0.000 0.293 425 Y C 2.200 178.305 175.900 0.342 0.000 1.129 425 Y CA 0.721 58.979 58.100 0.264 0.000 1.201 425 Y CB 0.071 38.630 38.460 0.165 0.000 0.999 425 Y HN 0.360 nan 8.280 nan 0.000 0.541 426 E N 1.070 121.466 120.200 0.326 0.000 2.070 426 E HA -0.262 4.092 4.350 0.008 0.000 0.197 426 E C 2.299 179.005 176.600 0.176 0.000 1.004 426 E CA 1.642 58.162 56.400 0.200 0.000 0.805 426 E CB -0.176 29.591 29.700 0.112 0.000 0.744 426 E HN 0.304 nan 8.360 nan 0.000 0.451 427 R N 0.042 120.628 120.500 0.144 0.000 2.080 427 R HA -0.127 4.218 4.340 0.008 0.000 0.236 427 R C 2.518 178.903 176.300 0.142 0.000 1.137 427 R CA 1.900 58.057 56.100 0.094 0.000 0.943 427 R CB -0.505 29.811 30.300 0.027 0.000 0.846 427 R HN 0.307 nan 8.270 nan 0.000 0.431 428 I N 0.157 120.867 120.570 0.232 0.000 2.264 428 I HA -0.338 3.836 4.170 0.008 0.000 0.248 428 I C 2.672 178.923 176.117 0.224 0.000 1.111 428 I CA 1.447 62.898 61.300 0.252 0.000 1.382 428 I CB -0.592 37.579 38.000 0.286 0.000 1.060 428 I HN 0.427 nan 8.210 nan 0.000 0.418 429 H N 1.843 120.980 119.070 0.111 0.000 2.353 429 H HA -0.196 4.365 4.556 0.008 0.000 0.300 429 H C 2.347 177.581 175.328 -0.157 0.000 1.090 429 H CA 2.199 58.106 56.048 -0.234 0.000 1.327 429 H CB 0.255 29.724 29.762 -0.488 0.000 1.383 429 H HN 0.275 nan 8.280 nan 0.000 0.508 430 K N 1.596 121.966 120.400 -0.049 0.000 2.160 430 K HA -0.141 4.184 4.320 0.008 0.000 0.206 430 K C 2.151 178.669 176.600 -0.136 0.000 1.047 430 K CA 1.904 58.138 56.287 -0.088 0.000 0.930 430 K CB -0.336 32.153 32.500 -0.018 0.000 0.720 430 K HN 0.420 nan 8.250 nan 0.000 0.450 431 K N -1.285 119.055 120.400 -0.100 0.000 2.358 431 K HA 0.331 4.656 4.320 0.008 0.000 0.200 431 K C 0.237 176.771 176.600 -0.110 0.000 1.030 431 K CA -0.305 55.929 56.287 -0.087 0.000 1.097 431 K CB 0.316 32.793 32.500 -0.037 0.000 0.862 431 K HN 0.348 nan 8.250 nan 0.000 0.534 432 M N 1.146 120.654 119.600 -0.154 0.000 2.291 432 M HA 0.244 4.729 4.480 0.008 0.000 0.324 432 M C -0.193 175.970 176.300 -0.228 0.000 1.148 432 M CA -0.583 54.625 55.300 -0.153 0.000 1.104 432 M CB 0.928 33.473 32.600 -0.093 0.000 1.483 432 M HN -0.083 nan 8.290 nan 0.000 0.467 433 L N 2.226 123.309 121.223 -0.233 0.000 2.395 433 L HA 0.275 4.620 4.340 0.008 0.000 0.269 433 L C -0.069 176.660 176.870 -0.234 0.000 1.133 433 L CA -0.473 54.199 54.840 -0.280 0.000 0.812 433 L CB 0.321 42.094 42.059 -0.477 0.000 1.125 433 L HN 0.442 nan 8.230 nan 0.000 0.452 434 K N 2.831 123.107 120.400 -0.206 0.000 2.182 434 K HA 0.496 4.821 4.320 0.008 0.000 0.262 434 K C -2.226 174.297 176.600 -0.129 0.000 0.957 434 K CA -1.789 54.382 56.287 -0.194 0.000 0.842 434 K CB 0.795 33.178 32.500 -0.195 0.000 1.099 434 K HN 0.360 nan 8.250 nan 0.000 0.438 435 P HA 0.197 nan 4.420 nan 0.000 0.271 435 P C -0.941 176.111 177.300 -0.412 0.000 1.216 435 P CA -0.473 62.411 63.100 -0.359 0.000 0.771 435 P CB 0.647 32.016 31.700 -0.552 0.000 0.864 436 A N 3.699 126.281 122.820 -0.397 0.000 2.366 436 A HA 0.467 4.791 4.320 0.008 0.000 0.322 436 A C -0.402 177.122 177.584 -0.099 0.000 1.397 436 A CA -0.594 51.336 52.037 -0.178 0.000 0.984 436 A CB -0.796 18.081 19.000 -0.204 0.000 1.149 436 A HN 0.417 nan 8.150 nan 0.000 0.540 437 F N 1.932 121.944 119.950 0.104 0.000 2.394 437 F HA 0.507 5.038 4.527 0.007 0.000 0.340 437 F C 0.443 176.192 175.800 -0.084 0.000 1.105 437 F CA -0.379 57.575 58.000 -0.076 0.000 1.124 437 F CB 1.274 40.172 39.000 -0.169 0.000 1.145 437 F HN 0.333 nan 8.300 nan 0.000 0.505 438 I N 3.748 124.244 120.570 -0.124 0.000 2.362 438 I HA 0.277 4.452 4.170 0.008 0.000 0.289 438 I C -1.147 174.759 176.117 -0.351 0.000 0.994 438 I CA -0.563 60.622 61.300 -0.192 0.000 1.158 438 I CB 1.225 39.012 38.000 -0.355 0.000 1.315 438 I HN 0.389 nan 8.210 nan 0.000 0.451 439 F N 4.034 124.022 119.950 0.063 0.000 2.332 439 F HA 0.232 4.763 4.527 0.007 0.000 0.368 439 F C 0.375 176.308 175.800 0.221 0.000 1.110 439 F CA -0.735 57.321 58.000 0.093 0.000 1.087 439 F CB 0.703 39.657 39.000 -0.077 0.000 1.235 439 F HN 0.364 nan 8.300 nan 0.000 0.470 440 D N 2.707 123.302 120.400 0.325 0.000 2.365 440 D HA 0.185 4.830 4.640 0.008 0.000 0.237 440 D C 1.097 177.559 176.300 0.270 0.000 1.190 440 D CA -0.086 54.063 54.000 0.249 0.000 0.867 440 D CB 1.444 42.331 40.800 0.146 0.000 1.050 440 D HN 0.704 nan 8.370 nan 0.000 0.491 441 G N 3.502 112.410 108.800 0.180 0.000 3.026 441 G HA2 -0.062 3.903 3.960 0.008 0.000 0.208 441 G HA3 -0.062 3.903 3.960 0.008 0.000 0.208 441 G C 1.076 175.852 174.900 -0.206 0.000 1.169 441 G CA -0.108 44.809 45.100 -0.305 0.000 0.788 441 G HN 0.378 nan 8.290 nan 0.000 0.533 442 R N -0.558 119.919 120.500 -0.039 0.000 2.519 442 R HA 0.153 4.498 4.340 0.008 0.000 0.375 442 R C 0.461 176.761 176.300 0.001 0.000 0.926 442 R CA -0.497 55.586 56.100 -0.028 0.000 1.166 442 R CB 0.410 30.718 30.300 0.013 0.000 1.626 442 R HN 0.097 nan 8.270 nan 0.000 0.529 443 R N -0.073 120.442 120.500 0.026 0.000 3.758 443 R HA -0.131 4.214 4.340 0.008 0.000 0.299 443 R C 0.943 177.267 176.300 0.040 0.000 1.182 443 R CA 0.867 56.985 56.100 0.030 0.000 0.809 443 R CB -2.902 27.397 30.300 -0.003 0.000 1.249 443 R HN 0.188 nan 8.270 nan 0.000 0.497 444 V N 0.116 120.072 119.914 0.069 0.000 3.129 444 V HA 0.024 4.149 4.120 0.008 0.000 0.259 444 V C 1.778 177.924 176.094 0.087 0.000 1.116 444 V CA 1.382 63.733 62.300 0.086 0.000 1.127 444 V CB 0.004 31.911 31.823 0.141 0.000 0.742 444 V HN 0.376 nan 8.190 nan 0.000 0.474 445 L N -0.135 121.135 121.223 0.079 0.000 2.628 445 L HA 0.281 4.626 4.340 0.008 0.000 0.229 445 L C 0.051 176.981 176.870 0.100 0.000 1.137 445 L CA -0.301 54.570 54.840 0.052 0.000 0.909 445 L CB -0.200 41.839 42.059 -0.035 0.000 1.137 445 L HN 0.224 nan 8.230 nan 0.000 0.470 446 D N 1.396 121.831 120.400 0.058 0.000 2.487 446 D HA 0.259 4.904 4.640 0.008 0.000 0.243 446 D C 1.250 177.551 176.300 0.000 0.000 1.154 446 D CA 1.483 55.471 54.000 -0.021 0.000 0.876 446 D CB 1.156 41.920 40.800 -0.060 0.000 1.161 446 D HN 0.324 nan 8.370 nan 0.000 0.478 447 G N 1.872 110.669 108.800 -0.005 0.000 2.232 447 G HA2 -0.247 3.717 3.960 0.008 0.000 0.226 447 G HA3 -0.247 3.717 3.960 0.008 0.000 0.226 447 G C 0.917 175.839 174.900 0.037 0.000 0.996 447 G CA 0.020 45.127 45.100 0.011 0.000 0.626 447 G HN 0.485 nan 8.290 nan 0.000 0.509 448 L N 0.847 122.101 121.223 0.051 0.000 2.607 448 L HA 0.291 4.635 4.340 0.008 0.000 0.228 448 L C 2.114 178.996 176.870 0.021 0.000 1.123 448 L CA -0.079 54.770 54.840 0.014 0.000 0.890 448 L CB -0.496 41.528 42.059 -0.059 0.000 1.103 448 L HN 0.305 nan 8.230 nan 0.000 0.468 449 H N 1.032 120.057 119.070 -0.075 0.000 2.267 449 H HA -0.158 4.406 4.556 0.013 0.000 0.297 449 H C 1.734 177.033 175.328 -0.048 0.000 1.080 449 H CA 1.836 57.842 56.048 -0.069 0.000 1.278 449 H CB 0.330 30.064 29.762 -0.046 0.000 1.365 449 H HN 0.401 nan 8.280 nan 0.000 0.489 450 N N 0.755 119.513 118.700 0.097 0.000 2.069 450 N HA -0.173 4.572 4.740 0.008 0.000 0.191 450 N C 1.956 177.473 175.510 0.012 0.000 1.031 450 N CA 1.617 54.692 53.050 0.043 0.000 0.852 450 N CB -0.419 38.089 38.487 0.034 0.000 1.018 450 N HN 0.684 nan 8.380 nan 0.000 0.423 451 E N 0.641 120.846 120.200 0.009 0.000 2.152 451 E HA -0.071 4.284 4.350 0.008 0.000 0.192 451 E C 1.959 178.562 176.600 0.004 0.000 0.983 451 E CA 0.542 56.946 56.400 0.005 0.000 0.818 451 E CB -0.446 29.265 29.700 0.017 0.000 0.758 451 E HN 0.274 nan 8.360 nan 0.000 0.467 452 L N 0.679 121.891 121.223 -0.019 0.000 2.141 452 L HA -0.140 4.205 4.340 0.008 0.000 0.209 452 L C 2.711 179.617 176.870 0.060 0.000 1.094 452 L CA 1.234 56.088 54.840 0.023 0.000 0.763 452 L CB -0.244 41.689 42.059 -0.210 0.000 0.908 452 L HN 0.189 nan 8.230 nan 0.000 0.437 453 Q N -0.962 118.824 119.800 -0.024 0.000 2.119 453 Q HA -0.154 4.191 4.340 0.008 0.000 0.201 453 Q C 2.171 178.136 176.000 -0.058 0.000 0.972 453 Q CA 1.822 57.603 55.803 -0.037 0.000 0.847 453 Q CB -0.100 28.619 28.738 -0.032 0.000 0.903 453 Q HN 0.435 nan 8.270 nan 0.000 0.433 454 T N 1.279 115.804 114.554 -0.047 0.000 2.674 454 T HA -0.117 4.238 4.350 0.008 0.000 0.265 454 T C 1.842 176.468 174.700 -0.124 0.000 1.039 454 T CA 1.002 63.064 62.100 -0.064 0.000 1.150 454 T CB -0.210 68.636 68.868 -0.036 0.000 0.864 454 T HN 0.193 nan 8.240 nan 0.000 0.427 455 I N 0.430 120.920 120.570 -0.134 0.000 2.264 455 I HA -0.105 4.070 4.170 0.008 0.000 0.248 455 I C 2.017 177.707 176.117 -0.711 0.000 1.111 455 I CA 1.462 62.585 61.300 -0.295 0.000 1.382 455 I CB -0.228 37.692 38.000 -0.134 0.000 1.060 455 I HN 0.551 nan 8.210 nan 0.000 0.418 456 G N -0.682 107.801 108.800 -0.528 0.000 2.234 456 G HA2 -0.154 3.811 3.960 0.008 0.000 0.153 456 G HA3 -0.154 3.811 3.960 0.008 0.000 0.153 456 G C 0.101 174.810 174.900 -0.318 0.000 1.013 456 G CA -0.774 44.037 45.100 -0.481 0.000 0.712 456 G HN 0.124 nan 8.290 nan 0.000 0.491 457 F N 1.780 121.624 119.950 -0.178 0.000 2.471 457 F HA 0.413 4.946 4.527 0.010 0.000 0.353 457 F C 1.321 176.990 175.800 -0.219 0.000 1.113 457 F CA 0.147 58.060 58.000 -0.146 0.000 1.262 457 F CB 0.777 39.688 39.000 -0.148 0.000 1.146 457 F HN -0.019 nan 8.300 nan 0.000 0.578 458 Q N 3.613 123.351 119.800 -0.104 0.000 2.472 458 Q HA 0.243 4.588 4.340 0.008 0.000 0.227 458 Q C -0.664 175.254 176.000 -0.137 0.000 1.156 458 Q CA -0.613 55.098 55.803 -0.153 0.000 0.924 458 Q CB 0.910 29.473 28.738 -0.291 0.000 1.354 458 Q HN 0.453 nan 8.270 nan 0.000 0.525 459 I N 1.901 122.363 120.570 -0.180 0.000 2.395 459 I HA 0.139 4.313 4.170 0.008 0.000 0.289 459 I C -0.550 175.420 176.117 -0.245 0.000 1.023 459 I CA 0.248 61.355 61.300 -0.323 0.000 1.350 459 I CB 0.633 38.299 38.000 -0.557 0.000 1.409 459 I HN 0.418 nan 8.210 nan 0.000 0.507 460 E N 4.452 124.523 120.200 -0.214 0.000 2.317 460 E HA 0.544 4.899 4.350 0.008 0.000 0.270 460 E C -1.109 175.578 176.600 0.145 0.000 0.885 460 E CA -0.899 55.498 56.400 -0.006 0.000 0.760 460 E CB 2.266 31.966 29.700 0.001 0.000 1.227 460 E HN 0.635 nan 8.360 nan 0.000 0.434 461 T N 0.825 115.517 114.554 0.230 0.000 2.816 461 T HA 0.447 4.802 4.350 0.008 0.000 0.299 461 T C -1.018 173.811 174.700 0.215 0.000 1.230 461 T CA -0.579 61.672 62.100 0.252 0.000 1.007 461 T CB 0.961 69.962 68.868 0.222 0.000 1.289 461 T HN 0.350 nan 8.240 nan 0.000 0.508 462 I N 2.201 122.869 120.570 0.163 0.000 2.556 462 I HA 0.368 4.542 4.170 0.008 0.000 0.284 462 I C 1.466 177.615 176.117 0.054 0.000 1.114 462 I CA 1.309 62.663 61.300 0.090 0.000 1.418 462 I CB 0.802 38.786 38.000 -0.025 0.000 1.394 462 I HN 1.043 nan 8.210 nan 0.000 0.552 463 G N 4.579 113.410 108.800 0.051 0.000 2.147 463 G HA2 -0.287 3.677 3.960 0.008 0.000 0.244 463 G HA3 -0.287 3.677 3.960 0.008 0.000 0.244 463 G C 0.055 174.974 174.900 0.032 0.000 1.005 463 G CA 0.017 45.137 45.100 0.032 0.000 0.713 463 G HN 0.620 nan 8.290 nan 0.000 0.515 464 K N 0.010 120.442 120.400 0.053 0.000 2.443 464 K HA 0.486 4.811 4.320 0.008 0.000 0.252 464 K C 0.069 176.709 176.600 0.067 0.000 0.933 464 K CA -0.961 55.354 56.287 0.047 0.000 0.792 464 K CB 1.184 33.708 32.500 0.041 0.000 1.185 464 K HN 0.104 nan 8.250 nan 0.000 0.425 465 K N 3.171 123.603 120.400 0.054 0.000 2.350 465 K HA 0.105 4.430 4.320 0.008 0.000 0.279 465 K C -0.062 176.580 176.600 0.070 0.000 1.027 465 K CA -0.428 55.894 56.287 0.058 0.000 0.969 465 K CB 0.858 33.385 32.500 0.044 0.000 0.954 465 K HN 0.353 nan 8.250 nan 0.000 0.474 466 V N 0.000 119.960 119.914 0.076 0.000 2.409 466 V HA 0.000 4.125 4.120 0.008 0.000 0.244 466 V CA 0.000 62.351 62.300 0.085 0.000 1.235 466 V CB 0.000 31.879 31.823 0.093 0.000 1.184 466 V HN 0.000 nan 8.190 nan 0.000 0.556