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_C 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 LSHPGVSEDD 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 0.000 174.613 174.600 0.022 0.000 1.055 0 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 0 S CB 0.000 63.186 63.200 -0.023 0.000 0.593 1 M N 2.874 122.495 119.600 0.034 0.000 2.563 1 M HA -0.121 4.359 4.480 0.001 0.000 0.195 1 M C -0.682 175.645 176.300 0.044 0.000 0.787 1 M CA 0.203 55.520 55.300 0.028 0.000 0.578 1 M CB -2.663 29.936 32.600 -0.001 0.000 1.469 1 M HN 1.896 nan 8.290 nan 0.000 0.860 2 F N 1.975 121.893 119.950 -0.052 0.000 2.456 2 F HA 0.665 5.192 4.527 0.001 0.000 0.358 2 F C 0.566 176.362 175.800 -0.007 0.000 1.095 2 F CA 0.374 58.342 58.000 -0.055 0.000 1.216 2 F CB 0.764 39.707 39.000 -0.094 0.000 1.125 2 F HN 0.691 nan 8.300 nan 0.000 0.549 3 E N 6.436 126.102 120.200 -0.891 0.000 2.191 3 E HA 0.342 4.692 4.350 0.001 0.000 0.263 3 E C -0.903 175.219 176.600 -0.797 0.000 0.881 3 E CA -0.780 55.263 56.400 -0.594 0.000 0.757 3 E CB 1.193 30.699 29.700 -0.323 0.000 1.147 3 E HN 0.602 nan 8.360 nan 0.000 0.414 4 I N 4.588 124.923 120.570 -0.390 0.000 2.452 4 I HA 0.030 4.200 4.170 0.001 0.000 0.287 4 I C 1.038 177.065 176.117 -0.150 0.000 1.079 4 I CA 0.555 61.737 61.300 -0.196 0.000 1.387 4 I CB 0.635 38.624 38.000 -0.017 0.000 1.404 4 I HN 0.505 nan 8.210 nan 0.000 0.522 5 K N 4.494 124.817 120.400 -0.129 0.000 2.435 5 K HA 0.266 4.586 4.320 0.001 0.000 0.199 5 K C -0.128 176.438 176.600 -0.057 0.000 1.153 5 K CA 0.243 56.475 56.287 -0.091 0.000 0.974 5 K CB 0.628 33.071 32.500 -0.096 0.000 0.997 5 K HN 0.403 nan 8.250 nan 0.000 0.547 6 K N 1.118 121.494 120.400 -0.041 0.000 2.443 6 K HA 0.461 4.782 4.320 0.001 0.000 0.252 6 K C -1.153 175.424 176.600 -0.038 0.000 0.933 6 K CA -0.399 55.868 56.287 -0.033 0.000 0.792 6 K CB 2.476 34.960 32.500 -0.027 0.000 1.185 6 K HN -0.103 nan 8.250 nan 0.000 0.425 7 I N 1.828 122.372 120.570 -0.043 0.000 2.509 7 I HA 0.348 4.518 4.170 0.001 0.000 0.293 7 I C -0.693 175.404 176.117 -0.033 0.000 1.020 7 I CA -1.032 60.235 61.300 -0.055 0.000 1.088 7 I CB 1.849 39.830 38.000 -0.032 0.000 1.267 7 I HN 0.622 nan 8.210 nan 0.000 0.430 8 C N 6.092 125.371 119.300 -0.035 0.000 2.408 8 C HA 0.691 5.152 4.460 0.001 0.000 0.321 8 C C -0.402 174.619 174.990 0.052 0.000 1.245 8 C CA -0.627 58.385 59.018 -0.010 0.000 1.523 8 C CB 0.556 28.282 27.740 -0.024 0.000 2.178 8 C HN 0.958 nan 8.230 nan 0.000 0.488 9 C N 8.096 127.435 119.300 0.064 0.000 2.316 9 C HA 0.591 5.051 4.460 0.001 0.000 0.324 9 C C -0.163 174.854 174.990 0.045 0.000 1.226 9 C CA -0.658 58.431 59.018 0.119 0.000 1.450 9 C CB -0.962 26.821 27.740 0.073 0.000 2.123 9 C HN 0.843 nan 8.230 nan 0.000 0.454 10 I N 6.353 126.962 120.570 0.065 0.000 2.347 10 I HA 0.509 4.679 4.170 0.001 0.000 0.294 10 I C 0.906 177.040 176.117 0.029 0.000 1.090 10 I CA 0.963 62.287 61.300 0.040 0.000 1.314 10 I CB 0.265 38.295 38.000 0.049 0.000 1.423 10 I HN 1.026 nan 8.210 nan 0.000 0.503 11 G N 4.550 113.359 108.800 0.014 0.000 3.305 11 G HA2 0.170 4.131 3.960 0.001 0.000 0.649 11 G HA3 0.170 4.131 3.960 0.001 0.000 0.649 11 G C -0.386 174.519 174.900 0.008 0.000 1.255 11 G CA -0.363 44.743 45.100 0.010 0.000 1.137 11 G HN 0.846 nan 8.290 nan 0.000 0.535 12 A N 1.516 124.370 122.820 0.058 0.000 2.827 12 A HA 0.786 5.107 4.320 0.001 0.000 0.300 12 A C 1.363 179.125 177.584 0.296 0.000 1.237 12 A CA 1.097 53.183 52.037 0.082 0.000 0.964 12 A CB -0.142 18.924 19.000 0.111 0.000 1.143 12 A HN 1.935 nan 8.150 nan 0.000 0.554 13 G N -1.319 107.602 108.800 0.201 0.000 2.630 13 G HA2 0.282 4.242 3.960 0.001 0.000 0.223 13 G HA3 0.282 4.242 3.960 0.001 0.000 0.223 13 G C 0.728 175.806 174.900 0.297 0.000 1.434 13 G CA 0.194 45.448 45.100 0.256 0.000 1.057 13 G HN 0.424 nan 8.290 nan 0.000 0.570 14 Y N -0.473 119.902 120.300 0.125 0.000 2.293 14 Y HA -0.029 4.522 4.550 0.001 0.000 0.291 14 Y C 2.374 178.318 175.900 0.073 0.000 1.137 14 Y CA 1.858 60.024 58.100 0.110 0.000 1.202 14 Y CB -0.343 38.151 38.460 0.057 0.000 0.990 14 Y HN -0.001 nan 8.280 nan 0.000 0.537 15 V N 0.165 119.936 119.914 -0.238 0.000 2.283 15 V HA -0.048 4.072 4.120 0.001 0.000 0.239 15 V C 2.659 178.617 176.094 -0.228 0.000 1.035 15 V CA 1.765 63.848 62.300 -0.362 0.000 1.018 15 V CB -1.474 30.186 31.823 -0.272 0.000 0.658 15 V HN 0.485 nan 8.190 nan 0.000 0.459 16 G N 0.143 108.848 108.800 -0.159 0.000 2.440 16 G HA2 -0.157 3.803 3.960 0.001 0.000 0.218 16 G HA3 -0.157 3.803 3.960 0.001 0.000 0.218 16 G C 1.603 176.383 174.900 -0.199 0.000 1.154 16 G CA 1.114 46.101 45.100 -0.189 0.000 0.767 16 G HN 0.592 nan 8.290 nan 0.000 0.552 17 G N 1.577 110.287 108.800 -0.150 0.000 2.511 17 G HA2 -0.095 3.865 3.960 0.001 0.000 0.216 17 G HA3 -0.095 3.865 3.960 0.001 0.000 0.216 17 G C 0.043 174.839 174.900 -0.173 0.000 1.218 17 G CA 1.314 46.203 45.100 -0.352 0.000 0.788 17 G HN 0.404 nan 8.290 nan 0.000 0.560 18 P HA -0.006 nan 4.420 nan 0.000 0.215 18 P C 2.127 179.390 177.300 -0.062 0.000 1.157 18 P CA 1.796 64.912 63.100 0.027 0.000 0.863 18 P CB -0.233 31.490 31.700 0.039 0.000 0.787 19 T N -1.078 113.409 114.554 -0.112 0.000 2.652 19 T HA -0.191 4.159 4.350 0.001 0.000 0.267 19 T C 1.873 176.494 174.700 -0.131 0.000 1.039 19 T CA 1.563 63.597 62.100 -0.109 0.000 1.153 19 T CB -1.401 67.355 68.868 -0.187 0.000 0.863 19 T HN 0.136 nan 8.240 nan 0.000 0.428 20 C N 1.374 120.564 119.300 -0.184 0.000 2.435 20 C HA -0.004 4.457 4.460 0.001 0.000 0.279 20 C C 3.218 178.099 174.990 -0.182 0.000 1.321 20 C CA 0.556 59.470 59.018 -0.173 0.000 1.752 20 C CB -1.254 26.362 27.740 -0.207 0.000 1.959 20 C HN 0.546 nan 8.230 nan 0.000 0.500 21 S N 0.876 116.478 115.700 -0.163 0.000 2.368 21 S HA -0.141 4.329 4.470 0.001 0.000 0.225 21 S C 1.903 176.426 174.600 -0.128 0.000 1.030 21 S CA 1.535 59.667 58.200 -0.113 0.000 0.999 21 S CB -0.336 62.859 63.200 -0.007 0.000 0.844 21 S HN 0.507 nan 8.310 nan 0.000 0.459 22 V N 2.022 121.842 119.914 -0.156 0.000 2.358 22 V HA -0.128 3.993 4.120 0.001 0.000 0.246 22 V C 2.058 177.905 176.094 -0.412 0.000 1.047 22 V CA 1.346 63.493 62.300 -0.255 0.000 1.035 22 V CB -0.688 30.986 31.823 -0.249 0.000 0.658 22 V HN 0.428 nan 8.190 nan 0.000 0.452 23 I N 0.632 121.006 120.570 -0.326 0.000 2.163 23 I HA -0.298 3.872 4.170 0.001 0.000 0.243 23 I C 2.684 178.649 176.117 -0.254 0.000 1.085 23 I CA 1.716 62.834 61.300 -0.304 0.000 1.347 23 I CB -0.604 37.333 38.000 -0.106 0.000 1.044 23 I HN 0.300 nan 8.210 nan 0.000 0.408 24 A N -0.033 122.675 122.820 -0.187 0.000 1.877 24 A HA -0.318 4.003 4.320 0.001 0.000 0.216 24 A C 2.195 179.700 177.584 -0.131 0.000 1.186 24 A CA 2.181 54.125 52.037 -0.154 0.000 0.620 24 A CB -1.037 17.871 19.000 -0.153 0.000 0.822 24 A HN 0.536 nan 8.150 nan 0.000 0.443 25 H N -0.851 118.083 119.070 -0.227 0.000 2.387 25 H HA -0.078 4.479 4.556 0.001 0.000 0.299 25 H C 1.738 176.937 175.328 -0.214 0.000 1.099 25 H CA 2.258 58.184 56.048 -0.204 0.000 1.315 25 H CB -0.056 29.578 29.762 -0.213 0.000 1.380 25 H HN 0.324 nan 8.280 nan 0.000 0.513 26 M N -0.953 118.449 119.600 -0.331 0.000 2.510 26 M HA 0.111 4.591 4.480 0.001 0.000 0.256 26 M C 0.309 176.501 176.300 -0.181 0.000 1.132 26 M CA 0.294 55.396 55.300 -0.330 0.000 1.105 26 M CB -0.166 32.115 32.600 -0.532 0.000 1.375 26 M HN 0.260 nan 8.290 nan 0.000 0.477 27 C N 1.505 120.665 119.300 -0.233 0.000 3.003 27 C HA 0.320 4.780 4.460 0.001 0.000 0.241 27 C C -1.294 173.594 174.990 -0.171 0.000 1.224 27 C CA -1.000 57.854 59.018 -0.273 0.000 1.560 27 C CB -0.097 27.371 27.740 -0.454 0.000 1.768 27 C HN 0.215 nan 8.230 nan 0.000 0.440 28 P HA -0.168 nan 4.420 nan 0.000 0.221 28 P C 1.591 178.859 177.300 -0.054 0.000 1.145 28 P CA 1.412 64.463 63.100 -0.081 0.000 0.795 28 P CB 0.155 31.817 31.700 -0.063 0.000 0.775 29 E N -0.212 119.959 120.200 -0.049 0.000 2.489 29 E HA -0.010 4.340 4.350 0.001 0.000 0.193 29 E C 0.331 176.904 176.600 -0.045 0.000 1.057 29 E CA 0.204 56.585 56.400 -0.031 0.000 0.866 29 E CB -0.299 29.396 29.700 -0.007 0.000 0.916 29 E HN 0.270 nan 8.360 nan 0.000 0.500 30 I N 1.949 122.474 120.570 -0.074 0.000 2.377 30 I HA 0.286 4.457 4.170 0.001 0.000 0.293 30 I C 0.457 176.548 176.117 -0.044 0.000 0.987 30 I CA -0.883 60.373 61.300 -0.074 0.000 1.185 30 I CB 1.632 39.562 38.000 -0.117 0.000 1.341 30 I HN -0.155 nan 8.210 nan 0.000 0.455 31 R N 5.779 126.270 120.500 -0.014 0.000 2.265 31 R HA 0.521 4.861 4.340 0.001 0.000 0.314 31 R C -1.429 174.878 176.300 0.013 0.000 1.053 31 R CA -0.353 55.770 56.100 0.037 0.000 0.931 31 R CB 1.065 31.394 30.300 0.048 0.000 1.024 31 R HN 0.448 nan 8.270 nan 0.000 0.457 32 V N 4.090 124.013 119.914 0.015 0.000 2.378 32 V HA 0.286 4.406 4.120 0.001 0.000 0.288 32 V C -0.349 175.712 176.094 -0.056 0.000 1.016 32 V CA -0.656 61.616 62.300 -0.046 0.000 0.840 32 V CB 1.850 33.606 31.823 -0.112 0.000 0.994 32 V HN 0.773 nan 8.190 nan 0.000 0.431 33 T N 4.429 118.947 114.554 -0.060 0.000 2.809 33 T HA 0.463 4.814 4.350 0.001 0.000 0.296 33 T C -0.239 174.374 174.700 -0.145 0.000 1.015 33 T CA -0.359 61.694 62.100 -0.078 0.000 0.954 33 T CB 1.431 70.279 68.868 -0.034 0.000 0.950 33 T HN 0.318 nan 8.240 nan 0.000 0.450 34 V N 5.074 124.811 119.914 -0.294 0.000 2.383 34 V HA 0.536 4.657 4.120 0.001 0.000 0.275 34 V C 0.382 176.424 176.094 -0.086 0.000 1.036 34 V CA -0.621 61.531 62.300 -0.247 0.000 0.889 34 V CB 0.961 32.503 31.823 -0.467 0.000 0.985 34 V HN 0.772 nan 8.190 nan 0.000 0.459 35 V N 1.494 121.392 119.914 -0.027 0.000 2.864 35 V HA 0.860 4.980 4.120 0.001 0.000 0.314 35 V C -0.900 175.216 176.094 0.037 0.000 1.073 35 V CA -0.547 61.766 62.300 0.022 0.000 0.956 35 V CB 2.249 34.082 31.823 0.015 0.000 1.023 35 V HN 0.806 nan 8.190 nan 0.000 0.435 36 D N 1.085 121.519 120.400 0.057 0.000 2.717 36 D HA 0.237 4.877 4.640 0.001 0.000 0.223 36 D C 0.078 176.410 176.300 0.052 0.000 1.240 36 D CA -0.308 53.726 54.000 0.056 0.000 0.801 36 D CB 3.094 43.947 40.800 0.088 0.000 1.556 36 D HN 0.480 nan 8.370 nan 0.000 0.462 37 V N 2.781 122.716 119.914 0.035 0.000 2.667 37 V HA -0.057 4.064 4.120 0.001 0.000 0.252 37 V C 0.868 176.985 176.094 0.038 0.000 1.065 37 V CA 1.088 63.407 62.300 0.032 0.000 1.083 37 V CB -0.372 31.463 31.823 0.021 0.000 0.692 37 V HN 0.477 nan 8.190 nan 0.000 0.468 38 N N 1.482 120.207 118.700 0.042 0.000 2.434 38 N HA -0.048 4.693 4.740 0.001 0.000 0.273 38 N C 1.116 176.664 175.510 0.064 0.000 1.210 38 N CA 0.600 53.678 53.050 0.046 0.000 0.992 38 N CB 0.714 39.228 38.487 0.045 0.000 1.355 38 N HN 0.618 nan 8.380 nan 0.000 0.495 39 E N 1.787 122.019 120.200 0.053 0.000 2.118 39 E HA -0.210 4.140 4.350 0.001 0.000 0.195 39 E C 1.435 178.068 176.600 0.056 0.000 0.992 39 E CA 1.223 57.658 56.400 0.058 0.000 0.804 39 E CB 0.052 29.779 29.700 0.044 0.000 0.741 39 E HN 0.569 nan 8.360 nan 0.000 0.458 40 S N -0.000 115.723 115.700 0.040 0.000 2.370 40 S HA -0.219 4.251 4.470 0.001 0.000 0.226 40 S C 2.080 176.695 174.600 0.026 0.000 1.033 40 S CA 1.519 59.734 58.200 0.024 0.000 1.011 40 S CB -0.273 62.933 63.200 0.011 0.000 0.852 40 S HN 0.318 nan 8.310 nan 0.000 0.457 41 R N 0.083 120.614 120.500 0.052 0.000 2.073 41 R HA 0.013 4.354 4.340 0.001 0.000 0.229 41 R C 2.154 178.560 176.300 0.178 0.000 1.120 41 R CA 1.391 57.536 56.100 0.075 0.000 0.967 41 R CB -0.328 30.047 30.300 0.125 0.000 0.862 41 R HN 0.405 nan 8.270 nan 0.000 0.436 42 I N 2.186 122.882 120.570 0.210 0.000 2.163 42 I HA -0.293 3.878 4.170 0.001 0.000 0.243 42 I C 1.714 177.926 176.117 0.159 0.000 1.085 42 I CA 1.398 62.846 61.300 0.247 0.000 1.347 42 I CB -1.459 36.657 38.000 0.193 0.000 1.044 42 I HN 0.251 nan 8.210 nan 0.000 0.408 43 N N 1.263 120.018 118.700 0.091 0.000 2.104 43 N HA -0.140 4.601 4.740 0.001 0.000 0.190 43 N C 1.920 177.431 175.510 0.002 0.000 1.024 43 N CA 1.686 54.766 53.050 0.050 0.000 0.853 43 N CB -0.323 38.183 38.487 0.031 0.000 1.008 43 N HN 0.395 nan 8.380 nan 0.000 0.424 44 A N 0.066 122.860 122.820 -0.043 0.000 1.902 44 A HA -0.119 4.201 4.320 0.001 0.000 0.217 44 A C 2.093 179.547 177.584 -0.217 0.000 1.181 44 A CA 1.076 53.026 52.037 -0.145 0.000 0.623 44 A CB -1.166 17.704 19.000 -0.216 0.000 0.818 44 A HN 0.421 nan 8.150 nan 0.000 0.443 45 W N 0.358 121.486 121.300 -0.287 0.000 2.350 45 W HA -0.108 4.553 4.660 0.000 0.000 0.289 45 W C 1.652 177.852 176.519 -0.531 0.000 1.215 45 W CA 1.046 58.023 57.345 -0.613 0.000 1.236 45 W CB -0.087 28.645 29.460 -1.214 0.000 1.130 45 W HN 0.306 nan 8.180 nan 0.000 0.541 46 N N -0.081 118.591 118.700 -0.047 0.000 2.398 46 N HA -0.023 4.717 4.740 0.001 0.000 0.188 46 N C 0.670 176.183 175.510 0.006 0.000 1.122 46 N CA 0.798 53.865 53.050 0.028 0.000 0.866 46 N CB -0.104 38.444 38.487 0.102 0.000 0.970 46 N HN 0.043 nan 8.380 nan 0.000 0.462 47 S N 0.335 116.011 115.700 -0.039 0.000 2.738 47 S HA 0.448 4.919 4.470 0.001 0.000 0.284 47 S C -1.813 172.760 174.600 -0.046 0.000 1.146 47 S CA -0.982 57.195 58.200 -0.039 0.000 0.997 47 S CB 1.906 65.072 63.200 -0.058 0.000 1.081 47 S HN -0.124 nan 8.310 nan 0.000 0.553 48 P HA 0.181 nan 4.420 nan 0.000 0.249 48 P C -0.284 176.984 177.300 -0.053 0.000 1.229 48 P CA 0.428 63.506 63.100 -0.035 0.000 0.788 48 P CB -0.253 31.433 31.700 -0.022 0.000 1.072 49 T N 1.571 116.078 114.554 -0.078 0.000 2.963 49 T HA 0.368 4.718 4.350 0.001 0.000 0.343 49 T C 0.301 174.899 174.700 -0.170 0.000 1.146 49 T CA -0.494 61.547 62.100 -0.098 0.000 1.016 49 T CB 0.408 69.226 68.868 -0.083 0.000 1.046 49 T HN -0.106 nan 8.240 nan 0.000 0.496 50 L N 4.558 125.653 121.223 -0.213 0.000 2.467 50 L HA 0.206 4.546 4.340 0.001 0.000 0.270 50 L C -0.657 175.945 176.870 -0.448 0.000 1.205 50 L CA -1.605 52.981 54.840 -0.424 0.000 0.828 50 L CB 0.526 42.322 42.059 -0.439 0.000 1.101 50 L HN 0.337 nan 8.230 nan 0.000 0.479 51 P HA 0.015 nan 4.420 nan 0.000 0.229 51 P C 0.010 177.117 177.300 -0.323 0.000 1.160 51 P CA 0.981 63.806 63.100 -0.458 0.000 0.777 51 P CB 0.432 31.816 31.700 -0.527 0.000 0.814 52 I N -0.024 120.307 120.570 -0.399 0.000 2.433 52 I HA 0.207 4.377 4.170 0.001 0.000 0.292 52 I C -0.457 175.612 176.117 -0.081 0.000 1.001 52 I CA -1.902 59.300 61.300 -0.163 0.000 1.119 52 I CB 0.940 38.891 38.000 -0.081 0.000 1.289 52 I HN -0.136 nan 8.210 nan 0.000 0.438 53 Y N 6.181 126.430 120.300 -0.085 0.000 2.367 53 Y HA 0.457 5.008 4.550 0.001 0.000 0.342 53 Y C -0.274 175.626 175.900 0.001 0.000 0.979 53 Y CA -0.042 58.027 58.100 -0.052 0.000 1.161 53 Y CB 0.634 39.068 38.460 -0.042 0.000 1.155 53 Y HN 0.468 nan 8.280 nan 0.000 0.503 54 E N 7.846 127.556 120.200 -0.816 0.000 2.278 54 E HA 0.289 4.639 4.350 0.001 0.000 0.272 54 E C -2.847 173.324 176.600 -0.715 0.000 0.890 54 E CA -2.285 53.729 56.400 -0.643 0.000 0.770 54 E CB 2.028 31.611 29.700 -0.194 0.000 1.212 54 E HN 0.469 nan 8.360 nan 0.000 0.415 55 P HA 0.044 nan 4.420 nan 0.000 0.262 55 P C 0.833 178.046 177.300 -0.145 0.000 1.182 55 P CA 1.093 64.038 63.100 -0.258 0.000 0.761 55 P CB 0.455 32.099 31.700 -0.094 0.000 0.795 56 G N 2.274 111.021 108.800 -0.087 0.000 2.225 56 G HA2 -0.341 3.619 3.960 0.001 0.000 0.254 56 G HA3 -0.341 3.619 3.960 0.001 0.000 0.254 56 G C 0.722 175.574 174.900 -0.079 0.000 0.988 56 G CA 0.352 45.412 45.100 -0.067 0.000 0.625 56 G HN 0.554 nan 8.290 nan 0.000 0.527 57 L N 1.263 122.434 121.223 -0.088 0.000 2.027 57 L HA 0.278 4.619 4.340 0.001 0.000 0.206 57 L C 2.611 179.474 176.870 -0.012 0.000 1.074 57 L CA 3.154 57.969 54.840 -0.042 0.000 0.745 57 L CB -0.663 41.380 42.059 -0.027 0.000 0.898 57 L HN 0.395 nan 8.230 nan 0.000 0.433 58 K N -0.531 119.860 120.400 -0.015 0.000 2.020 58 K HA -0.272 4.048 4.320 0.001 0.000 0.212 58 K C 1.909 178.503 176.600 -0.011 0.000 1.050 58 K CA 2.128 58.417 56.287 0.002 0.000 0.929 58 K CB -0.074 32.435 32.500 0.016 0.000 0.714 58 K HN 0.327 nan 8.250 nan 0.000 0.443 59 E N 0.296 120.476 120.200 -0.033 0.000 2.058 59 E HA -0.167 4.183 4.350 0.001 0.000 0.194 59 E C 1.987 178.519 176.600 -0.113 0.000 0.997 59 E CA 1.387 57.753 56.400 -0.056 0.000 0.801 59 E CB -0.326 29.338 29.700 -0.060 0.000 0.746 59 E HN 0.112 nan 8.360 nan 0.000 0.450 60 V N 0.282 120.092 119.914 -0.173 0.000 2.255 60 V HA -0.260 3.860 4.120 0.001 0.000 0.247 60 V C 2.270 178.285 176.094 -0.132 0.000 1.051 60 V CA 1.645 63.766 62.300 -0.298 0.000 1.018 60 V CB -0.584 31.072 31.823 -0.279 0.000 0.641 60 V HN 0.135 nan 8.190 nan 0.000 0.445 61 V N -0.265 119.640 119.914 -0.015 0.000 2.295 61 V HA -0.268 3.852 4.120 0.001 0.000 0.246 61 V C 2.395 178.519 176.094 0.049 0.000 1.049 61 V CA 2.126 64.475 62.300 0.082 0.000 1.024 61 V CB -0.669 31.271 31.823 0.195 0.000 0.648 61 V HN 0.610 nan 8.190 nan 0.000 0.447 62 E N 0.471 120.684 120.200 0.021 0.000 2.204 62 E HA -0.159 4.192 4.350 0.001 0.000 0.194 62 E C 2.270 178.873 176.600 0.004 0.000 0.989 62 E CA 1.338 57.747 56.400 0.014 0.000 0.824 62 E CB -0.159 29.546 29.700 0.008 0.000 0.756 62 E HN 0.759 nan 8.360 nan 0.000 0.477 63 S N -0.180 115.518 115.700 -0.003 0.000 2.481 63 S HA -0.090 4.380 4.470 0.001 0.000 0.231 63 S C 2.001 176.621 174.600 0.032 0.000 0.996 63 S CA 0.820 59.036 58.200 0.027 0.000 0.942 63 S CB -0.181 63.057 63.200 0.064 0.000 0.768 63 S HN 0.493 nan 8.310 nan 0.000 0.520 64 C N -0.827 118.475 119.300 0.002 0.000 4.154 64 C HA 0.502 4.963 4.460 0.001 0.000 0.359 64 C C 0.657 175.561 174.990 -0.143 0.000 1.702 64 C CA -0.980 58.008 59.018 -0.050 0.000 1.900 64 C CB -1.265 26.458 27.740 -0.028 0.000 3.051 64 C HN 0.471 nan 8.230 nan 0.000 0.670 65 R N 1.600 122.043 120.500 -0.095 0.000 2.484 65 R HA 0.428 4.768 4.340 0.001 0.000 0.293 65 R C 1.498 177.661 176.300 -0.228 0.000 1.023 65 R CA 1.805 57.820 56.100 -0.142 0.000 1.037 65 R CB -0.066 30.268 30.300 0.057 0.000 0.951 65 R HN 1.204 nan 8.270 nan 0.000 0.418 66 G N 3.404 111.892 108.800 -0.520 0.000 2.241 66 G HA2 -0.318 3.642 3.960 0.001 0.000 0.244 66 G HA3 -0.318 3.642 3.960 0.001 0.000 0.244 66 G C 0.646 175.388 174.900 -0.264 0.000 0.998 66 G CA 0.555 45.441 45.100 -0.356 0.000 0.621 66 G HN 0.638 nan 8.290 nan 0.000 0.519 67 K N 0.080 120.300 120.400 -0.300 0.000 2.107 67 K HA 0.122 4.443 4.320 0.001 0.000 0.211 67 K C 1.844 178.381 176.600 -0.104 0.000 1.024 67 K CA 1.069 57.284 56.287 -0.119 0.000 0.953 67 K CB -0.173 32.278 32.500 -0.081 0.000 0.831 67 K HN 0.405 nan 8.250 nan 0.000 0.454 68 N N 0.392 118.969 118.700 -0.205 0.000 2.143 68 N HA 0.042 4.782 4.740 0.001 0.000 0.222 68 N C -0.412 174.966 175.510 -0.219 0.000 1.264 68 N CA -0.168 52.839 53.050 -0.073 0.000 0.897 68 N CB 0.319 38.786 38.487 -0.034 0.000 1.092 68 N HN 0.027 nan 8.380 nan 0.000 0.516 69 L N 0.805 121.693 121.223 -0.558 0.000 2.322 69 L HA 0.673 5.013 4.340 0.001 0.000 0.281 69 L C -1.696 174.633 176.870 -0.903 0.000 1.014 69 L CA -0.636 53.883 54.840 -0.535 0.000 0.815 69 L CB 0.756 42.596 42.059 -0.365 0.000 1.247 69 L HN -0.058 nan 8.230 nan 0.000 0.421 70 F N 4.523 124.258 119.950 -0.358 0.000 2.578 70 F HA 0.576 5.103 4.527 0.001 0.000 0.311 70 F C -0.928 174.587 175.800 -0.474 0.000 1.094 70 F CA -0.388 57.464 58.000 -0.246 0.000 0.923 70 F CB 1.888 40.814 39.000 -0.123 0.000 1.230 70 F HN 0.188 nan 8.300 nan 0.000 0.450 71 F N 1.424 121.451 119.950 0.129 0.000 2.493 71 F HA 0.656 5.184 4.527 0.001 0.000 0.329 71 F C 0.076 175.927 175.800 0.085 0.000 1.126 71 F CA -0.647 57.379 58.000 0.043 0.000 0.937 71 F CB 2.140 41.157 39.000 0.028 0.000 1.146 71 F HN 0.381 nan 8.300 nan 0.000 0.442 72 S N 0.267 116.086 115.700 0.199 0.000 2.579 72 S HA 0.425 4.895 4.470 0.001 0.000 0.272 72 S C 0.337 174.997 174.600 0.099 0.000 1.141 72 S CA -0.147 58.131 58.200 0.131 0.000 0.843 72 S CB 1.500 64.745 63.200 0.074 0.000 1.122 72 S HN 0.738 nan 8.310 nan 0.000 0.468 73 T N 0.099 114.701 114.554 0.079 0.000 3.107 73 T HA 0.208 4.558 4.350 0.001 0.000 0.249 73 T C 0.486 175.209 174.700 0.039 0.000 1.096 73 T CA 0.022 62.159 62.100 0.061 0.000 1.012 73 T CB -0.473 68.429 68.868 0.057 0.000 0.977 73 T HN 0.400 nan 8.240 nan 0.000 0.527 74 N N 1.590 120.308 118.700 0.030 0.000 2.968 74 N HA 0.267 5.007 4.740 0.001 0.000 0.271 74 N C 0.813 176.327 175.510 0.007 0.000 1.174 74 N CA -0.453 52.605 53.050 0.013 0.000 1.096 74 N CB -0.517 37.971 38.487 0.001 0.000 1.403 74 N HN 0.439 nan 8.380 nan 0.000 0.522 75 I N 0.494 121.072 120.570 0.013 0.000 2.179 75 I HA -0.248 3.922 4.170 0.001 0.000 0.242 75 I C 1.356 177.474 176.117 0.001 0.000 1.088 75 I CA 0.915 62.221 61.300 0.011 0.000 1.357 75 I CB 0.044 38.055 38.000 0.019 0.000 1.051 75 I HN 0.281 nan 8.210 nan 0.000 0.409 76 D N 0.824 121.224 120.400 0.001 0.000 2.117 76 D HA -0.183 4.457 4.640 0.001 0.000 0.197 76 D C 1.802 178.093 176.300 -0.015 0.000 0.987 76 D CA 1.292 55.289 54.000 -0.005 0.000 0.829 76 D CB -0.364 40.435 40.800 -0.002 0.000 0.961 76 D HN 0.285 nan 8.370 nan 0.000 0.460 77 D N 0.186 120.575 120.400 -0.019 0.000 2.144 77 D HA -0.034 4.607 4.640 0.001 0.000 0.200 77 D C 2.025 178.303 176.300 -0.037 0.000 0.978 77 D CA 1.028 55.010 54.000 -0.030 0.000 0.833 77 D CB -0.203 40.576 40.800 -0.035 0.000 0.961 77 D HN 0.104 nan 8.370 nan 0.000 0.470 78 A N 0.712 123.511 122.820 -0.034 0.000 1.908 78 A HA -0.156 4.165 4.320 0.001 0.000 0.218 78 A C 2.362 179.926 177.584 -0.035 0.000 1.181 78 A CA 0.956 52.971 52.037 -0.038 0.000 0.627 78 A CB -0.686 18.297 19.000 -0.029 0.000 0.818 78 A HN 0.205 nan 8.150 nan 0.000 0.445 79 I N -0.691 119.863 120.570 -0.028 0.000 2.202 79 I HA -0.268 3.902 4.170 0.001 0.000 0.242 79 I C 2.516 178.607 176.117 -0.043 0.000 1.091 79 I CA 1.587 62.867 61.300 -0.034 0.000 1.368 79 I CB -0.311 37.673 38.000 -0.026 0.000 1.058 79 I HN 0.280 nan 8.210 nan 0.000 0.410 80 K N 0.748 121.125 120.400 -0.038 0.000 2.044 80 K HA -0.236 4.085 4.320 0.001 0.000 0.210 80 K C 1.970 178.550 176.600 -0.035 0.000 1.049 80 K CA 1.834 58.098 56.287 -0.038 0.000 0.927 80 K CB -0.186 32.295 32.500 -0.033 0.000 0.713 80 K HN 0.383 nan 8.250 nan 0.000 0.443 81 E N 0.299 120.478 120.200 -0.035 0.000 2.274 81 E HA -0.020 4.330 4.350 0.001 0.000 0.194 81 E C 0.245 176.832 176.600 -0.020 0.000 0.996 81 E CA -0.015 56.367 56.400 -0.030 0.000 0.840 81 E CB 0.137 29.811 29.700 -0.043 0.000 0.772 81 E HN 0.249 nan 8.360 nan 0.000 0.491 82 A N 1.475 124.278 122.820 -0.029 0.000 2.425 82 A HA -0.007 4.313 4.320 0.001 0.000 0.249 82 A C 0.438 178.021 177.584 -0.001 0.000 1.084 82 A CA -0.241 51.779 52.037 -0.027 0.000 0.781 82 A CB 0.388 19.358 19.000 -0.049 0.000 1.019 82 A HN -0.006 nan 8.150 nan 0.000 0.490 83 D N 0.166 120.589 120.400 0.039 0.000 2.183 83 D HA 0.034 4.675 4.640 0.001 0.000 0.205 83 D C 0.236 176.562 176.300 0.043 0.000 0.962 83 D CA 0.862 54.951 54.000 0.148 0.000 0.849 83 D CB 0.221 41.187 40.800 0.276 0.000 0.978 83 D HN 0.338 nan 8.370 nan 0.000 0.488 84 L N 1.399 122.593 121.223 -0.048 0.000 2.410 84 L HA 0.380 4.720 4.340 0.001 0.000 0.270 84 L C -1.489 175.246 176.870 -0.226 0.000 0.983 84 L CA -0.603 54.133 54.840 -0.173 0.000 0.822 84 L CB 2.110 44.027 42.059 -0.236 0.000 1.285 84 L HN -0.353 nan 8.230 nan 0.000 0.409 85 V N 5.562 125.337 119.914 -0.231 0.000 2.409 85 V HA 0.413 4.533 4.120 0.001 0.000 0.291 85 V C -0.359 175.638 176.094 -0.162 0.000 1.020 85 V CA -0.517 61.694 62.300 -0.149 0.000 0.848 85 V CB 1.511 33.294 31.823 -0.067 0.000 0.990 85 V HN 0.521 nan 8.190 nan 0.000 0.430 86 F N 4.671 124.615 119.950 -0.010 0.000 2.396 86 F HA 0.532 5.060 4.527 0.000 0.000 0.343 86 F C 0.439 176.236 175.800 -0.005 0.000 1.104 86 F CA -0.666 57.330 58.000 -0.006 0.000 1.161 86 F CB 1.081 40.070 39.000 -0.018 0.000 1.146 86 F HN 0.267 nan 8.300 nan 0.000 0.522 87 I N 2.494 123.196 120.570 0.219 0.000 2.312 87 I HA 0.197 4.367 4.170 0.001 0.000 0.290 87 I C 0.318 176.488 176.117 0.089 0.000 1.008 87 I CA -0.074 61.299 61.300 0.122 0.000 1.226 87 I CB 1.340 39.392 38.000 0.086 0.000 1.371 87 I HN 0.522 nan 8.210 nan 0.000 0.468 88 S N 6.306 122.037 115.700 0.052 0.000 2.794 88 S HA 0.280 4.751 4.470 0.001 0.000 0.244 88 S C -0.304 174.298 174.600 0.002 0.000 1.045 88 S CA -0.557 57.645 58.200 0.003 0.000 1.114 88 S CB -0.060 63.115 63.200 -0.043 0.000 1.085 88 S HN 0.421 nan 8.310 nan 0.000 0.488 89 V N 0.642 120.567 119.914 0.018 0.000 2.837 89 V HA 0.680 4.800 4.120 0.001 0.000 0.310 89 V C 0.032 176.143 176.094 0.028 0.000 1.059 89 V CA -1.165 61.138 62.300 0.006 0.000 1.004 89 V CB 0.830 32.668 31.823 0.025 0.000 1.045 89 V HN 0.436 nan 8.190 nan 0.000 0.465 90 N N 1.881 120.587 118.700 0.011 0.000 2.453 90 N HA 0.269 5.009 4.740 0.001 0.000 0.253 90 N C 0.245 175.849 175.510 0.155 0.000 1.252 90 N CA 0.435 53.522 53.050 0.061 0.000 0.917 90 N CB 0.795 39.307 38.487 0.041 0.000 1.117 90 N HN 1.051 nan 8.380 nan 0.000 0.442 91 T N -2.453 112.162 114.554 0.101 0.000 3.327 91 T HA 0.314 4.665 4.350 0.001 0.000 0.373 91 T C -2.647 172.080 174.700 0.046 0.000 1.589 91 T CA -1.780 60.369 62.100 0.082 0.000 1.497 91 T CB 0.867 69.754 68.868 0.031 0.000 1.032 91 T HN 0.239 nan 8.240 nan 0.000 0.640 92 P HA 0.168 nan 4.420 nan 0.000 0.270 92 P C 0.021 177.297 177.300 -0.041 0.000 1.223 92 P CA 0.002 63.115 63.100 0.022 0.000 0.785 92 P CB 0.436 32.167 31.700 0.050 0.000 0.923 93 T N 2.077 116.599 114.554 -0.053 0.000 2.919 93 T HA 0.092 4.442 4.350 0.001 0.000 0.302 93 T C 0.574 175.189 174.700 -0.141 0.000 1.031 93 T CA -0.265 61.782 62.100 -0.088 0.000 1.127 93 T CB 0.056 68.886 68.868 -0.062 0.000 0.952 93 T HN 0.248 nan 8.240 nan 0.000 0.540 94 K N 1.902 122.185 120.400 -0.194 0.000 2.448 94 K HA 0.097 4.417 4.320 0.001 0.000 0.278 94 K C 1.374 177.815 176.600 -0.265 0.000 1.009 94 K CA 0.012 56.129 56.287 -0.284 0.000 0.995 94 K CB 0.369 32.699 32.500 -0.284 0.000 0.917 94 K HN 0.768 nan 8.250 nan 0.000 0.481 95 T N -0.767 113.551 114.554 -0.393 0.000 3.092 95 T HA 0.122 4.473 4.350 0.001 0.000 0.258 95 T C -0.329 174.290 174.700 -0.135 0.000 1.031 95 T CA -0.236 61.724 62.100 -0.232 0.000 0.925 95 T CB -0.264 68.508 68.868 -0.160 0.000 1.036 95 T HN 0.582 nan 8.240 nan 0.000 0.544 96 Y N -2.272 118.012 120.300 -0.026 0.000 2.677 96 Y HA 0.675 5.226 4.550 0.001 0.000 0.334 96 Y C 0.363 176.247 175.900 -0.027 0.000 1.196 96 Y CA -1.539 56.550 58.100 -0.019 0.000 1.059 96 Y CB 0.692 39.145 38.460 -0.011 0.000 1.315 96 Y HN 0.431 nan 8.280 nan 0.000 0.455 97 G N 0.922 109.880 108.800 0.264 0.000 2.632 97 G HA2 -0.054 3.906 3.960 0.001 0.000 0.224 97 G HA3 -0.054 3.906 3.960 0.001 0.000 0.224 97 G C -0.822 174.127 174.900 0.082 0.000 1.341 97 G CA -0.562 44.639 45.100 0.168 0.000 0.880 97 G HN 0.766 nan 8.290 nan 0.000 0.566 98 M N 1.641 121.285 119.600 0.073 0.000 2.303 98 M HA 0.382 4.863 4.480 0.001 0.000 0.350 98 M C 1.639 177.929 176.300 -0.015 0.000 1.518 98 M CA 1.427 56.777 55.300 0.083 0.000 1.070 98 M CB -0.776 31.900 32.600 0.126 0.000 1.910 98 M HN 2.534 nan 8.290 nan 0.000 0.458 99 G N 2.918 111.715 108.800 -0.004 0.000 2.136 99 G HA2 -0.254 3.706 3.960 0.001 0.000 0.242 99 G HA3 -0.254 3.706 3.960 0.001 0.000 0.242 99 G C 0.298 175.063 174.900 -0.227 0.000 0.989 99 G CA 0.288 45.213 45.100 -0.292 0.000 0.682 99 G HN 0.746 nan 8.290 nan 0.000 0.522 100 K N 0.376 120.724 120.400 -0.086 0.000 2.511 100 K HA 0.285 4.605 4.320 0.001 0.000 0.277 100 K C 1.675 178.242 176.600 -0.054 0.000 1.025 100 K CA 1.509 57.760 56.287 -0.061 0.000 1.112 100 K CB -0.513 31.995 32.500 0.012 0.000 0.859 100 K HN 1.613 nan 8.250 nan 0.000 0.485 101 G N 3.810 112.567 108.800 -0.071 0.000 2.179 101 G HA2 -0.299 3.662 3.960 0.001 0.000 0.260 101 G HA3 -0.299 3.662 3.960 0.001 0.000 0.260 101 G C 0.664 175.545 174.900 -0.032 0.000 0.977 101 G CA 0.611 45.690 45.100 -0.035 0.000 0.641 101 G HN 0.764 nan 8.290 nan 0.000 0.533 102 R N -0.693 119.760 120.500 -0.079 0.000 2.871 102 R HA 0.506 4.847 4.340 0.001 0.000 0.176 102 R C 1.279 177.497 176.300 -0.136 0.000 0.830 102 R CA 0.304 56.372 56.100 -0.052 0.000 1.160 102 R CB 0.026 30.343 30.300 0.029 0.000 1.614 102 R HN 0.682 nan 8.270 nan 0.000 0.596 103 A N 1.957 124.552 122.820 -0.374 0.000 2.425 103 A HA 0.605 4.925 4.320 0.001 0.000 0.249 103 A C 0.152 177.593 177.584 -0.239 0.000 1.084 103 A CA -0.043 51.693 52.037 -0.502 0.000 0.781 103 A CB 0.304 18.670 19.000 -1.055 0.000 1.019 103 A HN 0.366 nan 8.150 nan 0.000 0.490 104 A N 1.786 124.523 122.820 -0.138 0.000 2.388 104 A HA 0.462 4.783 4.320 0.001 0.000 0.257 104 A C -0.009 177.512 177.584 -0.105 0.000 1.095 104 A CA -0.272 51.713 52.037 -0.087 0.000 0.791 104 A CB 0.156 19.136 19.000 -0.034 0.000 1.029 104 A HN 0.796 nan 8.150 nan 0.000 0.489 105 D N 2.429 122.766 120.400 -0.106 0.000 2.359 105 D HA 0.291 4.931 4.640 0.001 0.000 0.230 105 D C 0.451 176.688 176.300 -0.105 0.000 1.118 105 D CA -0.143 53.779 54.000 -0.131 0.000 0.844 105 D CB 0.795 41.488 40.800 -0.179 0.000 1.059 105 D HN 0.436 nan 8.370 nan 0.000 0.493 106 L N 4.157 125.326 121.223 -0.090 0.000 2.627 106 L HA -0.008 4.332 4.340 0.001 0.000 0.233 106 L C 2.343 179.157 176.870 -0.094 0.000 1.144 106 L CA 0.039 54.840 54.840 -0.064 0.000 0.892 106 L CB -0.109 41.925 42.059 -0.042 0.000 1.039 106 L HN 0.422 nan 8.230 nan 0.000 0.442 107 K N -0.381 119.904 120.400 -0.193 0.000 2.063 107 K HA -0.229 4.091 4.320 0.001 0.000 0.208 107 K C 1.613 178.094 176.600 -0.199 0.000 1.048 107 K CA 1.646 57.784 56.287 -0.248 0.000 0.928 107 K CB -0.490 31.777 32.500 -0.388 0.000 0.713 107 K HN 0.149 nan 8.250 nan 0.000 0.442 108 Y N 1.666 121.962 120.300 -0.005 0.000 2.263 108 Y HA -0.002 4.549 4.550 0.001 0.000 0.292 108 Y C 2.376 178.276 175.900 0.001 0.000 1.130 108 Y CA 0.179 58.281 58.100 0.003 0.000 1.179 108 Y CB -0.221 38.242 38.460 0.005 0.000 0.998 108 Y HN -0.030 nan 8.280 nan 0.000 0.532 109 I N 0.246 120.887 120.570 0.118 0.000 2.226 109 I HA -0.285 3.886 4.170 0.001 0.000 0.245 109 I C 2.383 178.513 176.117 0.021 0.000 1.100 109 I CA 1.715 63.049 61.300 0.055 0.000 1.374 109 I CB -0.956 37.053 38.000 0.014 0.000 1.057 109 I HN 0.346 nan 8.210 nan 0.000 0.413 110 E N 1.297 121.497 120.200 0.001 0.000 2.051 110 E HA -0.208 4.142 4.350 0.001 0.000 0.192 110 E C 2.320 178.932 176.600 0.021 0.000 0.991 110 E CA 1.453 57.845 56.400 -0.012 0.000 0.799 110 E CB 0.044 29.729 29.700 -0.026 0.000 0.748 110 E HN 0.413 nan 8.360 nan 0.000 0.449 111 A N 0.631 123.479 122.820 0.046 0.000 1.908 111 A HA -0.231 4.090 4.320 0.001 0.000 0.218 111 A C 2.520 180.152 177.584 0.080 0.000 1.181 111 A CA 1.583 53.663 52.037 0.071 0.000 0.627 111 A CB -1.080 17.986 19.000 0.110 0.000 0.818 111 A HN 0.549 nan 8.150 nan 0.000 0.445 112 C N -1.196 118.157 119.300 0.088 0.000 2.413 112 C HA 0.018 4.478 4.460 0.001 0.000 0.276 112 C C 3.357 178.411 174.990 0.105 0.000 1.236 112 C CA 0.895 59.966 59.018 0.087 0.000 1.735 112 C CB -1.392 26.398 27.740 0.083 0.000 2.031 112 C HN 0.714 nan 8.230 nan 0.000 0.474 113 A N 0.518 123.391 122.820 0.089 0.000 1.883 113 A HA -0.217 4.103 4.320 0.001 0.000 0.217 113 A C 2.210 179.933 177.584 0.232 0.000 1.186 113 A CA 1.655 53.780 52.037 0.148 0.000 0.624 113 A CB -0.573 18.370 19.000 -0.095 0.000 0.822 113 A HN 0.682 nan 8.150 nan 0.000 0.444 114 R N -1.193 119.380 120.500 0.121 0.000 2.081 114 R HA -0.132 4.208 4.340 0.001 0.000 0.235 114 R C 2.519 178.876 176.300 0.095 0.000 1.131 114 R CA 1.649 57.814 56.100 0.108 0.000 0.960 114 R CB -0.284 30.055 30.300 0.065 0.000 0.856 114 R HN 0.573 nan 8.270 nan 0.000 0.436 115 R N 0.946 121.496 120.500 0.084 0.000 2.075 115 R HA -0.064 4.277 4.340 0.001 0.000 0.232 115 R C 2.145 178.473 176.300 0.047 0.000 1.126 115 R CA 1.213 57.348 56.100 0.058 0.000 0.963 115 R CB -0.170 30.162 30.300 0.054 0.000 0.858 115 R HN 0.156 nan 8.270 nan 0.000 0.435 116 I N -0.319 120.296 120.570 0.075 0.000 2.179 116 I HA -0.277 3.894 4.170 0.001 0.000 0.242 116 I C 2.345 178.427 176.117 -0.058 0.000 1.088 116 I CA 1.205 62.519 61.300 0.023 0.000 1.357 116 I CB -0.329 37.716 38.000 0.076 0.000 1.051 116 I HN 0.128 nan 8.210 nan 0.000 0.409 117 V N 0.303 120.208 119.914 -0.015 0.000 2.427 117 V HA -0.314 3.806 4.120 0.001 0.000 0.248 117 V C 2.395 178.458 176.094 -0.053 0.000 1.051 117 V CA 2.108 64.349 62.300 -0.098 0.000 1.048 117 V CB -0.313 31.524 31.823 0.023 0.000 0.666 117 V HN 0.516 nan 8.190 nan 0.000 0.456 118 Q N -0.207 119.589 119.800 -0.007 0.000 2.124 118 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 118 Q C 1.486 177.472 176.000 -0.022 0.000 0.977 118 Q CA 1.798 57.597 55.803 -0.007 0.000 0.850 118 Q CB -0.063 28.682 28.738 0.011 0.000 0.901 118 Q HN 0.687 nan 8.270 nan 0.000 0.429 119 N N 0.056 118.738 118.700 -0.029 0.000 2.268 119 N HA 0.088 4.829 4.740 0.001 0.000 0.204 119 N C -0.806 174.670 175.510 -0.056 0.000 1.124 119 N CA 0.044 53.074 53.050 -0.034 0.000 0.838 119 N CB 0.982 39.455 38.487 -0.024 0.000 0.994 119 N HN -0.043 nan 8.380 nan 0.000 0.489 120 S N 0.473 116.123 115.700 -0.083 0.000 2.503 120 S HA 0.471 4.941 4.470 0.001 0.000 0.301 120 S C -0.358 174.184 174.600 -0.097 0.000 1.087 120 S CA -0.772 57.362 58.200 -0.109 0.000 1.042 120 S CB 2.032 65.122 63.200 -0.183 0.000 1.043 120 S HN 0.144 nan 8.310 nan 0.000 0.489 121 N N 0.368 119.019 118.700 -0.081 0.000 2.357 121 N HA 0.662 5.403 4.740 0.001 0.000 0.284 121 N C 0.370 175.847 175.510 -0.055 0.000 1.236 121 N CA 0.141 53.153 53.050 -0.064 0.000 0.774 121 N CB 1.990 40.453 38.487 -0.040 0.000 1.534 121 N HN 0.871 nan 8.380 nan 0.000 0.478 122 G N 0.611 109.388 108.800 -0.039 0.000 2.552 122 G HA2 -0.316 3.645 3.960 0.001 0.000 0.265 122 G HA3 -0.316 3.645 3.960 0.001 0.000 0.265 122 G C -0.857 174.041 174.900 -0.004 0.000 1.234 122 G CA 0.043 45.140 45.100 -0.004 0.000 0.944 122 G HN 0.589 nan 8.290 nan 0.000 0.568 123 Y N 2.604 122.833 120.300 -0.118 0.000 2.326 123 Y HA 0.677 5.228 4.550 0.001 0.000 0.337 123 Y C 0.466 176.253 175.900 -0.189 0.000 1.023 123 Y CA -0.239 57.751 58.100 -0.184 0.000 1.143 123 Y CB 0.818 39.125 38.460 -0.255 0.000 1.183 123 Y HN 0.572 nan 8.280 nan 0.000 0.485 124 K N 6.645 126.640 120.400 -0.674 0.000 2.508 124 K HA 0.512 4.832 4.320 0.001 0.000 0.260 124 K C -1.631 174.534 176.600 -0.724 0.000 0.949 124 K CA -0.927 55.027 56.287 -0.555 0.000 0.834 124 K CB 2.609 34.927 32.500 -0.304 0.000 1.365 124 K HN 0.589 nan 8.250 nan 0.000 0.437 125 I N 2.135 122.422 120.570 -0.471 0.000 2.321 125 I HA 0.239 4.409 4.170 0.001 0.000 0.291 125 I C -0.586 175.404 176.117 -0.212 0.000 0.998 125 I CA -1.036 60.065 61.300 -0.332 0.000 1.227 125 I CB 1.625 39.505 38.000 -0.201 0.000 1.368 125 I HN 0.133 nan 8.210 nan 0.000 0.466 126 V N 5.315 125.154 119.914 -0.126 0.000 2.398 126 V HA 0.430 4.551 4.120 0.001 0.000 0.286 126 V C -0.020 176.064 176.094 -0.017 0.000 1.026 126 V CA -0.319 61.962 62.300 -0.031 0.000 0.868 126 V CB 1.670 33.583 31.823 0.151 0.000 0.982 126 V HN 0.721 nan 8.190 nan 0.000 0.443 127 T N 4.266 118.807 114.554 -0.020 0.000 2.840 127 T HA 0.348 4.698 4.350 0.001 0.000 0.287 127 T C -0.392 174.402 174.700 0.156 0.000 0.991 127 T CA -0.596 61.535 62.100 0.051 0.000 0.964 127 T CB 1.036 69.928 68.868 0.040 0.000 0.954 127 T HN 0.739 nan 8.240 nan 0.000 0.438 128 E N 2.377 122.632 120.200 0.093 0.000 2.265 128 E HA 0.164 4.515 4.350 0.001 0.000 0.272 128 E C 0.655 177.307 176.600 0.086 0.000 1.067 128 E CA -0.258 56.184 56.400 0.070 0.000 0.900 128 E CB 1.100 30.803 29.700 0.004 0.000 1.017 128 E HN 0.414 nan 8.360 nan 0.000 0.431 129 K N 1.814 122.259 120.400 0.075 0.000 2.365 129 K HA 0.019 4.339 4.320 0.001 0.000 0.195 129 K C 0.303 176.854 176.600 -0.082 0.000 1.079 129 K CA 0.122 56.395 56.287 -0.022 0.000 0.979 129 K CB 0.530 32.949 32.500 -0.135 0.000 0.929 129 K HN 0.472 nan 8.250 nan 0.000 0.523 130 S N 0.444 116.115 115.700 -0.049 0.000 2.593 130 S HA 0.432 4.903 4.470 0.001 0.000 0.269 130 S C 0.171 174.728 174.600 -0.071 0.000 1.334 130 S CA -0.602 57.563 58.200 -0.057 0.000 1.015 130 S CB 1.285 64.476 63.200 -0.016 0.000 0.912 130 S HN 0.252 nan 8.310 nan 0.000 0.541 131 A N 1.493 124.267 122.820 -0.077 0.000 2.476 131 A HA 0.500 4.820 4.320 0.001 0.000 0.275 131 A C 0.381 177.938 177.584 -0.045 0.000 1.133 131 A CA -0.506 51.482 52.037 -0.081 0.000 0.797 131 A CB -1.204 17.749 19.000 -0.078 0.000 1.081 131 A HN 1.456 nan 8.150 nan 0.000 0.510 132 V N 0.999 120.887 119.914 -0.043 0.000 2.919 132 V HA 0.830 4.951 4.120 0.001 0.000 0.316 132 V C -2.566 173.523 176.094 -0.010 0.000 1.077 132 V CA -2.448 59.839 62.300 -0.021 0.000 0.977 132 V CB 1.704 33.513 31.823 -0.023 0.000 1.039 132 V HN 0.704 nan 8.190 nan 0.000 0.441 133 P HA 0.277 nan 4.420 nan 0.000 0.274 133 P C -0.244 177.082 177.300 0.044 0.000 1.237 133 P CA -0.208 62.910 63.100 0.030 0.000 0.793 133 P CB 1.164 32.891 31.700 0.045 0.000 0.977 134 V N 4.087 124.043 119.914 0.069 0.000 2.673 134 V HA -0.007 4.113 4.120 0.001 0.000 0.303 134 V C 1.559 177.733 176.094 0.133 0.000 1.046 134 V CA 0.504 62.871 62.300 0.112 0.000 1.126 134 V CB -0.773 31.129 31.823 0.131 0.000 0.934 134 V HN 0.720 nan 8.190 nan 0.000 0.487 135 R N 1.307 121.904 120.500 0.161 0.000 3.584 135 R HA -0.212 4.128 4.340 0.001 0.000 0.488 135 R C 1.507 177.828 176.300 0.035 0.000 0.869 135 R CA 0.804 56.990 56.100 0.144 0.000 1.325 135 R CB -2.120 28.287 30.300 0.177 0.000 2.015 135 R HN 0.870 nan 8.270 nan 0.000 0.489 136 A N 1.024 123.847 122.820 0.004 0.000 1.917 136 A HA -0.079 4.241 4.320 0.001 0.000 0.219 136 A C 2.334 179.865 177.584 -0.088 0.000 1.182 136 A CA 2.229 54.245 52.037 -0.035 0.000 0.633 136 A CB -0.549 18.432 19.000 -0.031 0.000 0.819 136 A HN 0.567 nan 8.150 nan 0.000 0.448 137 A N -0.752 121.993 122.820 -0.124 0.000 1.969 137 A HA -0.123 4.197 4.320 0.001 0.000 0.218 137 A C 1.899 179.368 177.584 -0.192 0.000 1.169 137 A CA 1.550 53.478 52.037 -0.182 0.000 0.635 137 A CB -0.460 18.401 19.000 -0.233 0.000 0.810 137 A HN 0.651 nan 8.150 nan 0.000 0.445 138 E N -0.098 120.014 120.200 -0.146 0.000 2.077 138 E HA -0.132 4.218 4.350 0.001 0.000 0.193 138 E C 2.268 178.817 176.600 -0.086 0.000 0.989 138 E CA 1.406 57.758 56.400 -0.080 0.000 0.800 138 E CB -0.081 29.647 29.700 0.047 0.000 0.746 138 E HN 0.618 nan 8.360 nan 0.000 0.452 139 S N 0.602 116.250 115.700 -0.087 0.000 2.368 139 S HA -0.110 4.360 4.470 0.001 0.000 0.224 139 S C 2.017 176.503 174.600 -0.190 0.000 1.029 139 S CA 0.723 58.864 58.200 -0.098 0.000 0.988 139 S CB -0.155 63.003 63.200 -0.070 0.000 0.838 139 S HN 0.211 nan 8.310 nan 0.000 0.462 140 I N 1.292 121.699 120.570 -0.271 0.000 2.208 140 I HA -0.231 3.940 4.170 0.001 0.000 0.245 140 I C 2.698 178.410 176.117 -0.675 0.000 1.097 140 I CA 1.274 62.261 61.300 -0.523 0.000 1.363 140 I CB -0.266 37.432 38.000 -0.503 0.000 1.051 140 I HN 0.163 nan 8.210 nan 0.000 0.413 141 R N 1.252 121.526 120.500 -0.377 0.000 2.081 141 R HA -0.108 4.233 4.340 0.001 0.000 0.235 141 R C 2.356 178.585 176.300 -0.118 0.000 1.131 141 R CA 1.446 57.418 56.100 -0.214 0.000 0.960 141 R CB -0.273 29.956 30.300 -0.120 0.000 0.856 141 R HN 0.193 nan 8.270 nan 0.000 0.436 142 R N 0.052 120.485 120.500 -0.111 0.000 2.081 142 R HA -0.062 4.278 4.340 0.001 0.000 0.235 142 R C 2.357 178.637 176.300 -0.033 0.000 1.131 142 R CA 1.668 57.740 56.100 -0.046 0.000 0.960 142 R CB -0.549 29.729 30.300 -0.036 0.000 0.856 142 R HN 0.340 nan 8.270 nan 0.000 0.436 143 I N 0.297 120.811 120.570 -0.093 0.000 2.179 143 I HA -0.268 3.903 4.170 0.001 0.000 0.242 143 I C 2.042 178.230 176.117 0.119 0.000 1.088 143 I CA 1.198 62.480 61.300 -0.031 0.000 1.357 143 I CB -0.298 37.643 38.000 -0.099 0.000 1.051 143 I HN -0.030 nan 8.210 nan 0.000 0.409 144 F N 1.136 121.071 119.950 -0.024 0.000 2.102 144 F HA -0.212 4.315 4.527 0.001 0.000 0.298 144 F C 2.384 178.169 175.800 -0.025 0.000 1.105 144 F CA 1.059 59.040 58.000 -0.031 0.000 1.239 144 F CB -1.295 37.676 39.000 -0.047 0.000 0.991 144 F HN 0.138 nan 8.300 nan 0.000 0.474 145 D N -0.039 120.461 120.400 0.167 0.000 2.178 145 D HA -0.093 4.548 4.640 0.001 0.000 0.201 145 D C 2.272 178.610 176.300 0.063 0.000 0.980 145 D CA 1.358 55.410 54.000 0.087 0.000 0.842 145 D CB -0.427 40.405 40.800 0.055 0.000 0.948 145 D HN 0.228 nan 8.370 nan 0.000 0.472 146 A N 0.193 123.050 122.820 0.062 0.000 2.119 146 A HA -0.027 4.294 4.320 0.001 0.000 0.216 146 A C 1.234 178.846 177.584 0.046 0.000 1.152 146 A CA 0.557 52.620 52.037 0.044 0.000 0.708 146 A CB 0.071 19.092 19.000 0.034 0.000 0.805 146 A HN 0.091 nan 8.150 nan 0.000 0.460 147 N N 0.032 118.770 118.700 0.063 0.000 2.553 147 N HA 0.066 4.807 4.740 0.001 0.000 0.298 147 N C -0.321 175.207 175.510 0.031 0.000 1.596 147 N CA 0.051 53.130 53.050 0.049 0.000 0.910 147 N CB 0.741 39.267 38.487 0.065 0.000 1.336 147 N HN 0.247 nan 8.380 nan 0.000 0.497 148 T N 0.628 115.196 114.554 0.024 0.000 2.813 148 T HA 0.270 4.620 4.350 0.001 0.000 0.297 148 T C -0.028 174.666 174.700 -0.010 0.000 1.036 148 T CA 0.407 62.507 62.100 0.001 0.000 1.044 148 T CB 0.852 69.724 68.868 0.006 0.000 0.993 148 T HN 0.122 nan 8.240 nan 0.000 0.535 149 K N 2.424 122.809 120.400 -0.024 0.000 2.482 149 K HA 0.488 4.808 4.320 0.001 0.000 0.257 149 K C -2.800 173.786 176.600 -0.022 0.000 0.969 149 K CA -2.062 54.212 56.287 -0.023 0.000 0.842 149 K CB 1.594 34.075 32.500 -0.032 0.000 1.359 149 K HN 0.320 nan 8.250 nan 0.000 0.441 150 P HA 0.029 nan 4.420 nan 0.000 0.264 150 P C -0.659 176.630 177.300 -0.018 0.000 1.193 150 P CA 0.319 63.411 63.100 -0.014 0.000 0.763 150 P CB 0.251 31.944 31.700 -0.011 0.000 0.810 151 N N -0.907 117.784 118.700 -0.016 0.000 2.828 151 N HA -0.196 4.544 4.740 0.001 0.000 0.248 151 N C -0.256 175.240 175.510 -0.023 0.000 1.044 151 N CA 0.550 53.592 53.050 -0.014 0.000 0.851 151 N CB -1.386 37.094 38.487 -0.011 0.000 1.136 151 N HN 0.296 nan 8.380 nan 0.000 0.572 152 L N 1.808 123.008 121.223 -0.040 0.000 2.313 152 L HA 0.439 4.779 4.340 0.001 0.000 0.282 152 L C 0.176 177.000 176.870 -0.076 0.000 1.092 152 L CA -0.058 54.738 54.840 -0.074 0.000 0.831 152 L CB 0.754 42.755 42.059 -0.096 0.000 1.159 152 L HN 0.088 nan 8.230 nan 0.000 0.442 153 N N 5.466 124.109 118.700 -0.094 0.000 2.648 153 N HA 0.313 5.053 4.740 0.001 0.000 0.261 153 N C -1.764 173.605 175.510 -0.236 0.000 1.138 153 N CA -0.303 52.695 53.050 -0.086 0.000 0.804 153 N CB 0.409 38.923 38.487 0.044 0.000 1.237 153 N HN 0.594 nan 8.380 nan 0.000 0.532 154 L N 2.166 123.229 121.223 -0.267 0.000 2.264 154 L HA 0.456 4.796 4.340 0.001 0.000 0.289 154 L C 0.120 176.871 176.870 -0.199 0.000 1.044 154 L CA -0.709 53.914 54.840 -0.362 0.000 0.807 154 L CB 1.304 42.992 42.059 -0.618 0.000 1.192 154 L HN 0.230 nan 8.230 nan 0.000 0.425 155 Q N 3.188 122.827 119.800 -0.267 0.000 2.256 155 Q HA 0.472 4.812 4.340 0.001 0.000 0.257 155 Q C -0.744 175.220 176.000 -0.061 0.000 0.936 155 Q CA -0.593 55.126 55.803 -0.139 0.000 0.903 155 Q CB 2.886 31.516 28.738 -0.181 0.000 1.263 155 Q HN 0.321 nan 8.270 nan 0.000 0.440 156 V N 4.378 124.282 119.914 -0.016 0.000 2.370 156 V HA 0.491 4.611 4.120 0.001 0.000 0.283 156 V C 0.066 176.125 176.094 -0.058 0.000 1.023 156 V CA -0.471 61.820 62.300 -0.016 0.000 0.857 156 V CB 1.215 33.016 31.823 -0.037 0.000 0.985 156 V HN 0.568 nan 8.190 nan 0.000 0.443 157 L N 3.022 124.220 121.223 -0.043 0.000 2.301 157 L HA 0.710 5.050 4.340 0.001 0.000 0.264 157 L C -0.018 176.839 176.870 -0.023 0.000 1.016 157 L CA -0.531 54.288 54.840 -0.034 0.000 0.821 157 L CB 2.346 44.404 42.059 -0.001 0.000 1.346 157 L HN 0.628 nan 8.230 nan 0.000 0.429 158 S N 1.057 116.745 115.700 -0.020 0.000 2.473 158 S HA 0.410 4.880 4.470 0.001 0.000 0.307 158 S C -0.781 173.840 174.600 0.035 0.000 1.094 158 S CA -0.591 57.605 58.200 -0.006 0.000 1.070 158 S CB 0.842 64.016 63.200 -0.043 0.000 1.019 158 S HN 0.737 nan 8.310 nan 0.000 0.480 159 N N 4.870 123.605 118.700 0.059 0.000 2.722 159 N HA 0.315 5.056 4.740 0.001 0.000 0.242 159 N C -3.106 172.401 175.510 -0.004 0.000 1.398 159 N CA -1.316 51.781 53.050 0.078 0.000 0.755 159 N CB 1.191 39.820 38.487 0.236 0.000 1.268 159 N HN 0.338 nan 8.380 nan 0.000 0.522 160 P HA 0.031 nan 4.420 nan 0.000 0.272 160 P C -0.723 176.348 177.300 -0.381 0.000 1.230 160 P CA 0.040 62.981 63.100 -0.266 0.000 0.788 160 P CB 0.686 32.151 31.700 -0.391 0.000 0.949 161 E N 2.280 122.210 120.200 -0.450 0.000 2.249 161 E HA 0.173 4.524 4.350 0.001 0.000 0.280 161 E C -1.478 174.765 176.600 -0.595 0.000 1.016 161 E CA -0.286 55.889 56.400 -0.374 0.000 0.830 161 E CB 0.241 29.770 29.700 -0.285 0.000 1.081 161 E HN 0.261 nan 8.360 nan 0.000 0.395 162 F N 4.906 124.822 119.950 -0.056 0.000 2.449 162 F HA 0.357 4.884 4.527 0.001 0.000 0.329 162 F C -0.409 175.385 175.800 -0.011 0.000 1.245 162 F CA -0.492 57.489 58.000 -0.031 0.000 1.193 162 F CB 0.588 39.567 39.000 -0.034 0.000 1.425 162 F HN 0.198 nan 8.300 nan 0.000 0.544 163 L N 1.675 122.948 121.223 0.082 0.000 2.346 163 L HA 0.923 5.264 4.340 0.001 0.000 0.274 163 L C -0.126 176.875 176.870 0.219 0.000 1.007 163 L CA -1.125 53.772 54.840 0.095 0.000 0.818 163 L CB 2.028 44.029 42.059 -0.095 0.000 1.284 163 L HN 0.378 nan 8.230 nan 0.000 0.424 164 A N 1.005 123.970 122.820 0.242 0.000 2.355 164 A HA 0.721 5.041 4.320 0.001 0.000 0.324 164 A C -0.053 177.690 177.584 0.265 0.000 1.117 164 A CA -0.349 51.840 52.037 0.253 0.000 0.785 164 A CB 1.261 20.382 19.000 0.201 0.000 1.254 164 A HN 0.775 nan 8.150 nan 0.000 0.453 165 E N -0.218 120.083 120.200 0.168 0.000 2.415 165 E HA 0.424 4.774 4.350 0.001 0.000 0.263 165 E C 1.313 177.961 176.600 0.079 0.000 0.995 165 E CA 0.452 56.893 56.400 0.068 0.000 0.915 165 E CB -0.149 29.522 29.700 -0.049 0.000 0.951 165 E HN 2.599 nan 8.360 nan 0.000 0.449 166 G N 1.274 110.111 108.800 0.062 0.000 2.241 166 G HA2 -0.280 3.680 3.960 0.001 0.000 0.244 166 G HA3 -0.280 3.680 3.960 0.001 0.000 0.244 166 G C 1.090 176.009 174.900 0.031 0.000 0.998 166 G CA 1.165 46.283 45.100 0.030 0.000 0.621 166 G HN 1.891 nan 8.290 nan 0.000 0.519 167 T N -2.565 112.030 114.554 0.068 0.000 3.170 167 T HA 0.693 5.044 4.350 0.001 0.000 0.288 167 T C 2.020 176.766 174.700 0.076 0.000 0.992 167 T CA 1.292 63.432 62.100 0.066 0.000 0.909 167 T CB 0.688 69.606 68.868 0.082 0.000 1.133 167 T HN 1.358 nan 8.240 nan 0.000 0.530 168 A N 2.432 125.305 122.820 0.089 0.000 1.892 168 A HA 0.012 4.332 4.320 0.001 0.000 0.218 168 A C 2.146 179.760 177.584 0.050 0.000 1.188 168 A CA 1.405 53.491 52.037 0.083 0.000 0.631 168 A CB -0.632 18.430 19.000 0.103 0.000 0.822 168 A HN 0.489 nan 8.150 nan 0.000 0.447 169 I N -0.432 120.153 120.570 0.025 0.000 2.233 169 I HA -0.150 4.020 4.170 0.001 0.000 0.243 169 I C 2.310 178.451 176.117 0.040 0.000 1.093 169 I CA 1.416 62.724 61.300 0.013 0.000 1.380 169 I CB -1.296 36.689 38.000 -0.025 0.000 1.067 169 I HN 0.351 nan 8.210 nan 0.000 0.413 170 K N 0.685 121.111 120.400 0.043 0.000 2.032 170 K HA -0.216 4.105 4.320 0.001 0.000 0.209 170 K C 1.707 178.360 176.600 0.089 0.000 1.048 170 K CA 1.702 58.026 56.287 0.062 0.000 0.927 170 K CB -0.096 32.437 32.500 0.054 0.000 0.712 170 K HN 0.282 nan 8.250 nan 0.000 0.441 171 D N 0.750 121.203 120.400 0.089 0.000 2.149 171 D HA -0.152 4.488 4.640 0.001 0.000 0.198 171 D C 1.933 178.318 176.300 0.141 0.000 0.990 171 D CA 1.034 55.097 54.000 0.105 0.000 0.839 171 D CB -0.072 40.791 40.800 0.105 0.000 0.948 171 D HN 0.176 nan 8.370 nan 0.000 0.460 172 L N 0.238 121.551 121.223 0.150 0.000 2.131 172 L HA -0.049 4.291 4.340 0.001 0.000 0.206 172 L C 2.334 179.439 176.870 0.392 0.000 1.087 172 L CA 0.875 55.859 54.840 0.239 0.000 0.767 172 L CB -0.022 42.130 42.059 0.155 0.000 0.917 172 L HN -0.107 nan 8.230 nan 0.000 0.441 173 K N -0.389 120.167 120.400 0.260 0.000 2.167 173 K HA -0.065 4.255 4.320 0.001 0.000 0.203 173 K C 0.501 177.315 176.600 0.356 0.000 1.052 173 K CA 0.705 57.174 56.287 0.303 0.000 0.956 173 K CB 0.071 32.652 32.500 0.136 0.000 0.735 173 K HN 0.057 nan 8.250 nan 0.000 0.451 174 N N 0.732 119.566 118.700 0.224 0.000 2.733 174 N HA 0.139 4.879 4.740 0.001 0.000 0.271 174 N C -2.916 172.652 175.510 0.097 0.000 1.720 174 N CA -1.924 51.215 53.050 0.149 0.000 0.803 174 N CB 0.837 39.388 38.487 0.107 0.000 1.208 174 N HN -0.131 nan 8.380 nan 0.000 0.498 175 P HA 0.281 nan 4.420 nan 0.000 0.278 175 P C -0.000 177.286 177.300 -0.022 0.000 1.238 175 P CA -0.155 62.967 63.100 0.038 0.000 0.794 175 P CB 1.529 33.247 31.700 0.030 0.000 0.955 176 D N 0.832 121.200 120.400 -0.054 0.000 2.117 176 D HA -0.104 4.537 4.640 0.001 0.000 0.197 176 D C 1.046 177.265 176.300 -0.134 0.000 0.987 176 D CA 1.767 55.710 54.000 -0.095 0.000 0.829 176 D CB 0.154 40.877 40.800 -0.129 0.000 0.961 176 D HN 0.457 nan 8.370 nan 0.000 0.460 177 R N -0.915 119.480 120.500 -0.174 0.000 2.690 177 R HA 0.450 4.790 4.340 0.001 0.000 0.269 177 R C -1.829 174.368 176.300 -0.173 0.000 1.037 177 R CA -0.753 55.237 56.100 -0.184 0.000 0.877 177 R CB 0.646 30.818 30.300 -0.214 0.000 1.255 177 R HN -0.163 nan 8.270 nan 0.000 0.467 178 V N 1.927 121.724 119.914 -0.195 0.000 2.513 178 V HA 0.523 4.644 4.120 0.001 0.000 0.299 178 V C -0.715 175.279 176.094 -0.166 0.000 1.035 178 V CA -0.936 61.215 62.300 -0.249 0.000 0.889 178 V CB 1.517 33.016 31.823 -0.540 0.000 0.988 178 V HN 0.636 nan 8.190 nan 0.000 0.440 179 L N 6.817 128.005 121.223 -0.059 0.000 2.349 179 L HA 0.705 5.046 4.340 0.001 0.000 0.278 179 L C -0.845 176.022 176.870 -0.005 0.000 0.996 179 L CA 0.050 54.896 54.840 0.011 0.000 0.825 179 L CB 1.237 43.401 42.059 0.174 0.000 1.243 179 L HN 0.564 nan 8.230 nan 0.000 0.412 180 I N 4.583 125.146 120.570 -0.011 0.000 2.478 180 I HA 0.597 4.767 4.170 0.001 0.000 0.287 180 I C 0.185 176.309 176.117 0.012 0.000 1.042 180 I CA -0.589 60.718 61.300 0.012 0.000 1.067 180 I CB 2.124 40.139 38.000 0.025 0.000 1.233 180 I HN 0.747 nan 8.210 nan 0.000 0.431 181 G N 3.488 112.293 108.800 0.007 0.000 2.415 181 G HA2 0.784 4.744 3.960 0.001 0.000 0.327 181 G HA3 0.784 4.744 3.960 0.001 0.000 0.327 181 G C -0.631 174.247 174.900 -0.036 0.000 1.182 181 G CA -0.664 44.428 45.100 -0.013 0.000 0.924 181 G HN 0.824 nan 8.290 nan 0.000 0.470 182 G N 0.662 109.438 108.800 -0.042 0.000 2.684 182 G HA2 0.518 4.479 3.960 0.001 0.000 0.290 182 G HA3 0.518 4.479 3.960 0.001 0.000 0.290 182 G C -1.362 173.499 174.900 -0.065 0.000 1.425 182 G CA -0.793 44.271 45.100 -0.060 0.000 0.822 182 G HN 0.464 nan 8.290 nan 0.000 0.482 183 D N -0.098 120.256 120.400 -0.076 0.000 2.400 183 D HA 0.226 4.866 4.640 0.001 0.000 0.238 183 D C 0.189 176.489 176.300 0.001 0.000 1.157 183 D CA 0.383 54.353 54.000 -0.050 0.000 0.889 183 D CB 1.526 42.298 40.800 -0.046 0.000 1.199 183 D HN 0.321 nan 8.370 nan 0.000 0.436 184 E N 0.382 120.600 120.200 0.031 0.000 2.232 184 E HA 0.178 4.529 4.350 0.001 0.000 0.296 184 E C -0.555 176.065 176.600 0.034 0.000 1.372 184 E CA -0.323 56.101 56.400 0.039 0.000 1.527 184 E CB -0.191 29.544 29.700 0.058 0.000 1.424 184 E HN 0.401 nan 8.360 nan 0.000 0.485 185 T N -2.688 111.880 114.554 0.023 0.000 2.901 185 T HA 0.429 4.779 4.350 0.001 0.000 0.293 185 T C -2.036 172.675 174.700 0.018 0.000 1.084 185 T CA -2.199 59.914 62.100 0.021 0.000 1.008 185 T CB 1.684 70.563 68.868 0.019 0.000 1.170 185 T HN -0.216 nan 8.240 nan 0.000 0.509 186 P HA -0.076 nan 4.420 nan 0.000 0.216 186 P C 1.506 178.815 177.300 0.016 0.000 1.153 186 P CA 0.965 64.073 63.100 0.014 0.000 0.858 186 P CB 0.162 31.867 31.700 0.009 0.000 0.789 187 E N -0.793 119.419 120.200 0.019 0.000 2.107 187 E HA -0.059 4.292 4.350 0.001 0.000 0.191 187 E C 2.262 178.884 176.600 0.037 0.000 0.982 187 E CA 1.323 57.743 56.400 0.033 0.000 0.809 187 E CB -1.005 28.721 29.700 0.044 0.000 0.756 187 E HN 0.213 nan 8.360 nan 0.000 0.459 188 G N 1.265 110.078 108.800 0.020 0.000 2.440 188 G HA2 -0.266 3.694 3.960 0.001 0.000 0.218 188 G HA3 -0.266 3.694 3.960 0.001 0.000 0.218 188 G C 1.528 176.441 174.900 0.021 0.000 1.154 188 G CA 0.470 45.576 45.100 0.010 0.000 0.767 188 G HN 0.167 nan 8.290 nan 0.000 0.552 189 Q N 0.116 119.930 119.800 0.023 0.000 2.167 189 Q HA 0.048 4.389 4.340 0.001 0.000 0.202 189 Q C 2.696 178.720 176.000 0.040 0.000 0.970 189 Q CA 0.713 56.533 55.803 0.028 0.000 0.855 189 Q CB -0.252 28.500 28.738 0.023 0.000 0.911 189 Q HN 0.484 nan 8.270 nan 0.000 0.438 190 R N 0.217 120.743 120.500 0.043 0.000 2.075 190 R HA -0.035 4.305 4.340 0.001 0.000 0.232 190 R C 2.285 178.642 176.300 0.095 0.000 1.126 190 R CA 1.142 57.277 56.100 0.058 0.000 0.963 190 R CB -0.350 29.970 30.300 0.034 0.000 0.858 190 R HN 0.215 nan 8.270 nan 0.000 0.435 191 A N 0.653 123.529 122.820 0.094 0.000 1.883 191 A HA -0.151 4.169 4.320 0.001 0.000 0.217 191 A C 2.337 179.973 177.584 0.086 0.000 1.186 191 A CA 1.620 53.716 52.037 0.098 0.000 0.624 191 A CB -0.741 18.282 19.000 0.039 0.000 0.822 191 A HN 0.127 nan 8.150 nan 0.000 0.444 192 V N 0.156 120.106 119.914 0.061 0.000 2.287 192 V HA -0.303 3.817 4.120 0.001 0.000 0.248 192 V C 2.773 178.915 176.094 0.080 0.000 1.053 192 V CA 2.199 64.535 62.300 0.060 0.000 1.027 192 V CB -0.782 31.064 31.823 0.039 0.000 0.646 192 V HN 0.568 nan 8.190 nan 0.000 0.447 193 Q N -0.339 119.507 119.800 0.077 0.000 2.124 193 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 193 Q C 2.426 178.490 176.000 0.107 0.000 0.977 193 Q CA 1.834 57.684 55.803 0.078 0.000 0.850 193 Q CB -0.741 28.035 28.738 0.063 0.000 0.901 193 Q HN 0.670 nan 8.270 nan 0.000 0.429 194 A N 0.741 123.648 122.820 0.145 0.000 1.902 194 A HA -0.162 4.158 4.320 0.001 0.000 0.217 194 A C 2.110 179.786 177.584 0.153 0.000 1.181 194 A CA 1.361 53.510 52.037 0.187 0.000 0.623 194 A CB -0.563 18.638 19.000 0.335 0.000 0.818 194 A HN 0.328 nan 8.150 nan 0.000 0.443 195 L N -0.542 120.770 121.223 0.148 0.000 2.109 195 L HA -0.076 4.265 4.340 0.001 0.000 0.207 195 L C 2.422 179.436 176.870 0.240 0.000 1.086 195 L CA 1.696 56.637 54.840 0.168 0.000 0.760 195 L CB -0.797 41.370 42.059 0.179 0.000 0.910 195 L HN 0.460 nan 8.230 nan 0.000 0.437 196 C N -0.288 119.125 119.300 0.189 0.000 2.398 196 C HA -0.213 4.247 4.460 0.001 0.000 0.276 196 C C 3.000 178.083 174.990 0.155 0.000 1.222 196 C CA 0.872 59.990 59.018 0.167 0.000 1.746 196 C CB -1.626 26.163 27.740 0.082 0.000 2.039 196 C HN 0.710 nan 8.230 nan 0.000 0.470 197 A N -0.016 122.879 122.820 0.125 0.000 1.972 197 A HA -0.093 4.227 4.320 0.001 0.000 0.219 197 A C 2.262 179.976 177.584 0.216 0.000 1.169 197 A CA 2.094 54.195 52.037 0.107 0.000 0.635 197 A CB -0.640 18.409 19.000 0.081 0.000 0.810 197 A HN 0.397 nan 8.150 nan 0.000 0.446 198 V N -1.534 118.501 119.914 0.201 0.000 2.261 198 V HA -0.300 3.820 4.120 0.001 0.000 0.246 198 V C 2.334 178.547 176.094 0.198 0.000 1.047 198 V CA 2.085 64.492 62.300 0.178 0.000 1.015 198 V CB -1.083 30.715 31.823 -0.042 0.000 0.642 198 V HN 0.693 nan 8.190 nan 0.000 0.446 199 Y N 0.407 120.741 120.300 0.056 0.000 2.293 199 Y HA -0.156 4.394 4.550 0.001 0.000 0.291 199 Y C 2.536 178.228 175.900 -0.347 0.000 1.137 199 Y CA 1.370 59.251 58.100 -0.365 0.000 1.202 199 Y CB -0.210 38.035 38.460 -0.358 0.000 0.990 199 Y HN 0.323 nan 8.280 nan 0.000 0.537 200 E N -0.818 119.410 120.200 0.046 0.000 2.401 200 E HA -0.201 4.149 4.350 0.001 0.000 0.199 200 E C 1.307 177.917 176.600 0.018 0.000 1.023 200 E CA 0.729 57.118 56.400 -0.018 0.000 0.859 200 E CB -0.183 29.499 29.700 -0.030 0.000 0.780 200 E HN 0.667 nan 8.360 nan 0.000 0.523 201 H N -1.152 117.982 119.070 0.108 0.000 2.457 201 H HA -0.163 4.393 4.556 0.001 0.000 0.297 201 H C 1.342 176.871 175.328 0.335 0.000 1.092 201 H CA 1.850 58.029 56.048 0.219 0.000 1.309 201 H CB -0.083 29.858 29.762 0.298 0.000 1.382 201 H HN 0.519 nan 8.280 nan 0.000 0.535 202 W N -2.333 119.062 121.300 0.160 0.000 1.857 202 W HA 0.426 5.087 4.660 0.001 0.000 0.244 202 W C -1.430 175.151 176.519 0.102 0.000 0.859 202 W CA -0.154 57.257 57.345 0.111 0.000 1.112 202 W CB 0.437 29.961 29.460 0.107 0.000 0.967 202 W HN -0.298 nan 8.180 nan 0.000 0.524 203 V N 3.775 123.424 119.914 -0.441 0.000 2.435 203 V HA 0.466 4.587 4.120 0.001 0.000 0.290 203 V C -1.977 174.012 176.094 -0.175 0.000 1.030 203 V CA -2.074 59.998 62.300 -0.380 0.000 0.881 203 V CB 1.345 32.836 31.823 -0.554 0.000 0.983 203 V HN -0.262 nan 8.190 nan 0.000 0.445 204 P HA 0.207 nan 4.420 nan 0.000 0.269 204 P C 0.518 177.771 177.300 -0.079 0.000 1.209 204 P CA -0.398 62.662 63.100 -0.066 0.000 0.776 204 P CB 0.711 32.386 31.700 -0.043 0.000 0.876 205 R N 3.446 123.910 120.500 -0.059 0.000 2.127 205 R HA -0.185 4.156 4.340 0.001 0.000 0.238 205 R C 1.780 178.046 176.300 -0.058 0.000 1.134 205 R CA 1.777 57.844 56.100 -0.056 0.000 0.975 205 R CB -0.784 29.492 30.300 -0.039 0.000 0.865 205 R HN 0.552 nan 8.270 nan 0.000 0.447 206 E N 0.202 120.370 120.200 -0.053 0.000 2.347 206 E HA -0.170 4.180 4.350 0.001 0.000 0.196 206 E C 0.711 177.271 176.600 -0.067 0.000 1.008 206 E CA 1.071 57.440 56.400 -0.051 0.000 0.852 206 E CB -0.087 29.588 29.700 -0.041 0.000 0.783 206 E HN 0.332 nan 8.360 nan 0.000 0.505 207 K N 0.558 120.909 120.400 -0.082 0.000 2.374 207 K HA 0.296 4.617 4.320 0.001 0.000 0.196 207 K C 0.297 176.819 176.600 -0.131 0.000 1.023 207 K CA -0.050 56.175 56.287 -0.103 0.000 1.103 207 K CB 0.479 32.916 32.500 -0.105 0.000 0.848 207 K HN 0.124 nan 8.250 nan 0.000 0.528 208 I N 2.280 122.778 120.570 -0.120 0.000 2.307 208 I HA 0.153 4.323 4.170 0.001 0.000 0.289 208 I C -0.871 175.189 176.117 -0.094 0.000 1.021 208 I CA -0.988 60.231 61.300 -0.133 0.000 1.224 208 I CB 1.037 38.965 38.000 -0.120 0.000 1.376 208 I HN -0.100 nan 8.210 nan 0.000 0.470 209 L N 7.765 128.932 121.223 -0.094 0.000 2.287 209 L HA 0.502 4.843 4.340 0.001 0.000 0.287 209 L C 0.276 177.121 176.870 -0.042 0.000 1.022 209 L CA 0.134 54.936 54.840 -0.064 0.000 0.814 209 L CB 1.539 43.556 42.059 -0.070 0.000 1.217 209 L HN 0.660 nan 8.230 nan 0.000 0.420 210 T N 1.016 115.556 114.554 -0.025 0.000 2.824 210 T HA 0.866 5.216 4.350 0.001 0.000 0.280 210 T C 0.022 174.722 174.700 0.001 0.000 0.995 210 T CA -0.038 62.057 62.100 -0.008 0.000 1.009 210 T CB 1.528 70.395 68.868 -0.000 0.000 0.955 210 T HN 0.799 nan 8.240 nan 0.000 0.452 211 T N -0.262 114.299 114.554 0.011 0.000 2.696 211 T HA 0.583 4.934 4.350 0.001 0.000 0.291 211 T C -0.400 174.318 174.700 0.031 0.000 1.095 211 T CA -1.025 61.090 62.100 0.025 0.000 1.026 211 T CB 0.846 69.733 68.868 0.031 0.000 1.390 211 T HN 0.852 nan 8.240 nan 0.000 0.513 212 N N -0.340 118.396 118.700 0.061 0.000 2.424 212 N HA 0.272 5.012 4.740 0.001 0.000 0.257 212 N C 1.056 176.580 175.510 0.023 0.000 1.250 212 N CA 0.065 53.155 53.050 0.065 0.000 0.946 212 N CB -0.064 38.530 38.487 0.178 0.000 1.175 212 N HN 0.612 nan 8.380 nan 0.000 0.477 213 T N -0.952 113.531 114.554 -0.117 0.000 2.746 213 T HA -0.101 4.250 4.350 0.001 0.000 0.267 213 T C 1.068 175.681 174.700 -0.144 0.000 1.039 213 T CA 1.042 63.008 62.100 -0.223 0.000 1.142 213 T CB -0.320 68.267 68.868 -0.469 0.000 0.866 213 T HN 0.505 nan 8.240 nan 0.000 0.444 214 W N 1.558 122.858 121.300 0.001 0.000 2.388 214 W HA 0.015 4.676 4.660 0.001 0.000 0.294 214 W C 2.723 179.242 176.519 0.001 0.000 1.212 214 W CA 0.361 57.706 57.345 -0.001 0.000 1.271 214 W CB -1.023 28.437 29.460 -0.000 0.000 1.126 214 W HN 0.273 nan 8.180 nan 0.000 0.535 215 S N 0.300 116.150 115.700 0.251 0.000 2.368 215 S HA -0.197 4.274 4.470 0.001 0.000 0.225 215 S C 2.025 176.681 174.600 0.092 0.000 1.030 215 S CA 1.709 59.993 58.200 0.141 0.000 0.999 215 S CB -0.563 62.701 63.200 0.106 0.000 0.844 215 S HN 0.220 nan 8.310 nan 0.000 0.459 216 S N 1.303 117.045 115.700 0.071 0.000 2.345 216 S HA -0.143 4.327 4.470 0.001 0.000 0.220 216 S C 1.821 176.445 174.600 0.040 0.000 1.031 216 S CA 1.266 59.495 58.200 0.048 0.000 0.996 216 S CB -0.352 62.859 63.200 0.019 0.000 0.882 216 S HN 0.557 nan 8.310 nan 0.000 0.445 217 E N 0.322 120.541 120.200 0.031 0.000 2.085 217 E HA -0.153 4.198 4.350 0.001 0.000 0.194 217 E C 2.073 178.695 176.600 0.035 0.000 0.994 217 E CA 1.322 57.733 56.400 0.019 0.000 0.801 217 E CB -0.291 29.425 29.700 0.026 0.000 0.743 217 E HN 0.394 nan 8.360 nan 0.000 0.453 218 L N 0.919 122.182 121.223 0.067 0.000 2.093 218 L HA -0.109 4.232 4.340 0.001 0.000 0.208 218 L C 2.112 179.002 176.870 0.032 0.000 1.085 218 L CA 1.642 56.513 54.840 0.052 0.000 0.755 218 L CB -0.388 41.714 42.059 0.072 0.000 0.904 218 L HN -0.088 nan 8.230 nan 0.000 0.435 219 S N -0.348 115.381 115.700 0.048 0.000 2.383 219 S HA -0.232 4.238 4.470 0.001 0.000 0.229 219 S C 1.918 176.579 174.600 0.102 0.000 1.030 219 S CA 1.535 59.768 58.200 0.054 0.000 1.002 219 S CB -0.318 62.930 63.200 0.080 0.000 0.829 219 S HN 0.399 nan 8.310 nan 0.000 0.467 220 K N 1.897 122.348 120.400 0.086 0.000 2.002 220 K HA 0.029 4.349 4.320 0.001 0.000 0.209 220 K C 1.855 178.471 176.600 0.026 0.000 1.048 220 K CA 1.371 57.680 56.287 0.036 0.000 0.930 220 K CB -0.780 31.639 32.500 -0.135 0.000 0.714 220 K HN 0.310 nan 8.250 nan 0.000 0.438 221 L N 0.073 121.292 121.223 -0.007 0.000 2.012 221 L HA -0.167 4.173 4.340 0.001 0.000 0.210 221 L C 2.528 179.370 176.870 -0.046 0.000 1.073 221 L CA 1.493 56.315 54.840 -0.029 0.000 0.748 221 L CB -0.770 41.262 42.059 -0.045 0.000 0.891 221 L HN 0.328 nan 8.230 nan 0.000 0.431 222 A N -0.092 122.703 122.820 -0.042 0.000 1.933 222 A HA -0.141 4.180 4.320 0.001 0.000 0.218 222 A C 2.519 180.133 177.584 0.050 0.000 1.175 222 A CA 1.663 53.681 52.037 -0.032 0.000 0.628 222 A CB -0.612 18.381 19.000 -0.011 0.000 0.814 222 A HN 0.423 nan 8.150 nan 0.000 0.444 223 A N 0.192 123.023 122.820 0.018 0.000 1.902 223 A HA -0.175 4.145 4.320 0.001 0.000 0.217 223 A C 1.915 179.556 177.584 0.096 0.000 1.181 223 A CA 1.749 53.796 52.037 0.016 0.000 0.623 223 A CB -0.539 18.503 19.000 0.071 0.000 0.818 223 A HN 0.517 nan 8.150 nan 0.000 0.443 224 N N 0.213 118.990 118.700 0.128 0.000 2.331 224 N HA -0.009 4.731 4.740 0.001 0.000 0.180 224 N C 1.793 177.380 175.510 0.128 0.000 1.019 224 N CA 1.261 54.442 53.050 0.218 0.000 0.881 224 N CB -0.447 38.186 38.487 0.242 0.000 0.972 224 N HN 0.461 nan 8.380 nan 0.000 0.435 225 A N 0.124 122.964 122.820 0.032 0.000 1.898 225 A HA -0.056 4.264 4.320 0.001 0.000 0.216 225 A C 1.908 179.545 177.584 0.088 0.000 1.181 225 A CA 0.868 52.859 52.037 -0.077 0.000 0.620 225 A CB -0.743 17.937 19.000 -0.533 0.000 0.819 225 A HN 0.143 nan 8.150 nan 0.000 0.442 226 F N -0.013 119.920 119.950 -0.028 0.000 2.146 226 F HA -0.061 4.467 4.527 0.001 0.000 0.298 226 F C 2.109 177.880 175.800 -0.047 0.000 1.096 226 F CA 1.188 59.233 58.000 0.075 0.000 1.275 226 F CB -0.433 38.595 39.000 0.048 0.000 1.008 226 F HN 0.091 nan 8.300 nan 0.000 0.480 227 L N -0.797 120.429 121.223 0.004 0.000 2.027 227 L HA -0.196 4.144 4.340 0.001 0.000 0.206 227 L C 2.687 179.367 176.870 -0.316 0.000 1.074 227 L CA 1.238 55.910 54.840 -0.280 0.000 0.745 227 L CB -1.027 40.722 42.059 -0.518 0.000 0.898 227 L HN 0.108 nan 8.230 nan 0.000 0.433 228 A N -0.673 121.848 122.820 -0.498 0.000 1.972 228 A HA -0.273 4.047 4.320 0.001 0.000 0.219 228 A C 2.254 179.694 177.584 -0.240 0.000 1.169 228 A CA 1.726 53.333 52.037 -0.717 0.000 0.635 228 A CB -0.543 17.942 19.000 -0.859 0.000 0.810 228 A HN 0.506 nan 8.150 nan 0.000 0.446 229 Q N -0.395 119.370 119.800 -0.058 0.000 2.124 229 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 229 Q C 2.187 178.193 176.000 0.010 0.000 0.977 229 Q CA 1.473 57.288 55.803 0.019 0.000 0.850 229 Q CB -0.086 28.677 28.738 0.042 0.000 0.901 229 Q HN 0.686 nan 8.270 nan 0.000 0.429 230 R N -0.191 120.324 120.500 0.024 0.000 2.096 230 R HA -0.098 4.242 4.340 0.001 0.000 0.235 230 R C 2.222 178.564 176.300 0.070 0.000 1.127 230 R CA 1.459 57.596 56.100 0.061 0.000 0.968 230 R CB -0.199 30.168 30.300 0.112 0.000 0.861 230 R HN 0.339 nan 8.270 nan 0.000 0.440 231 I N -0.049 120.565 120.570 0.073 0.000 2.233 231 I HA -0.221 3.949 4.170 0.001 0.000 0.243 231 I C 2.110 178.298 176.117 0.118 0.000 1.093 231 I CA 1.187 62.542 61.300 0.091 0.000 1.380 231 I CB -0.163 37.904 38.000 0.111 0.000 1.067 231 I HN 0.035 nan 8.210 nan 0.000 0.413 232 S N 0.104 115.899 115.700 0.157 0.000 2.399 232 S HA -0.146 4.325 4.470 0.001 0.000 0.231 232 S C 2.206 176.843 174.600 0.062 0.000 1.022 232 S CA 1.421 59.702 58.200 0.135 0.000 0.983 232 S CB -0.153 63.146 63.200 0.165 0.000 0.803 232 S HN 0.351 nan 8.310 nan 0.000 0.480 233 S N 1.252 116.974 115.700 0.036 0.000 2.355 233 S HA 0.023 4.493 4.470 0.001 0.000 0.222 233 S C 1.801 176.415 174.600 0.023 0.000 1.031 233 S CA 0.772 58.978 58.200 0.010 0.000 0.993 233 S CB -0.285 62.912 63.200 -0.006 0.000 0.859 233 S HN 0.376 nan 8.310 nan 0.000 0.453 234 I N 2.690 123.279 120.570 0.031 0.000 2.394 234 I HA -0.088 4.083 4.170 0.001 0.000 0.251 234 I C 1.585 177.718 176.117 0.026 0.000 1.136 234 I CA 0.978 62.294 61.300 0.026 0.000 1.425 234 I CB -0.378 37.637 38.000 0.025 0.000 1.079 234 I HN 0.119 nan 8.210 nan 0.000 0.425 235 N N 0.123 118.843 118.700 0.033 0.000 2.166 235 N HA -0.163 4.577 4.740 0.001 0.000 0.186 235 N C 2.136 177.677 175.510 0.052 0.000 1.019 235 N CA 1.591 54.658 53.050 0.028 0.000 0.856 235 N CB -0.511 37.991 38.487 0.026 0.000 0.993 235 N HN 0.535 nan 8.380 nan 0.000 0.426 236 S N 0.683 116.420 115.700 0.062 0.000 2.382 236 S HA -0.052 4.418 4.470 0.001 0.000 0.228 236 S C 1.913 176.549 174.600 0.060 0.000 1.027 236 S CA 0.582 58.829 58.200 0.078 0.000 0.991 236 S CB -0.319 62.905 63.200 0.039 0.000 0.823 236 S HN 0.073 nan 8.310 nan 0.000 0.469 237 I N 3.476 124.068 120.570 0.037 0.000 2.361 237 I HA -0.117 4.053 4.170 0.001 0.000 0.251 237 I C 2.991 179.128 176.117 0.033 0.000 1.133 237 I CA 1.493 62.810 61.300 0.029 0.000 1.413 237 I CB -1.964 36.048 38.000 0.019 0.000 1.073 237 I HN 0.632 nan 8.210 nan 0.000 0.424 238 S N 1.577 117.296 115.700 0.032 0.000 2.383 238 S HA -0.159 4.311 4.470 0.001 0.000 0.229 238 S C 2.278 176.902 174.600 0.040 0.000 1.030 238 S CA 1.174 59.390 58.200 0.028 0.000 1.002 238 S CB -0.591 62.616 63.200 0.012 0.000 0.829 238 S HN 0.393 nan 8.310 nan 0.000 0.467 239 A N 1.688 124.544 122.820 0.061 0.000 1.902 239 A HA 0.086 4.407 4.320 0.001 0.000 0.217 239 A C 2.254 179.881 177.584 0.073 0.000 1.181 239 A CA 1.574 53.662 52.037 0.085 0.000 0.623 239 A CB -0.957 18.152 19.000 0.180 0.000 0.818 239 A HN 0.519 nan 8.150 nan 0.000 0.443 240 L N -0.336 120.924 121.223 0.062 0.000 2.083 240 L HA -0.159 4.181 4.340 0.001 0.000 0.209 240 L C 2.504 179.395 176.870 0.036 0.000 1.083 240 L CA 1.765 56.631 54.840 0.044 0.000 0.752 240 L CB -0.757 41.322 42.059 0.033 0.000 0.899 240 L HN 0.506 nan 8.230 nan 0.000 0.433 241 C N -0.575 118.746 119.300 0.034 0.000 2.429 241 C HA -0.137 4.324 4.460 0.001 0.000 0.277 241 C C 2.540 177.551 174.990 0.035 0.000 1.262 241 C CA 0.767 59.803 59.018 0.029 0.000 1.733 241 C CB -0.839 26.916 27.740 0.025 0.000 2.010 241 C HN 0.560 nan 8.230 nan 0.000 0.483 242 E N 0.873 121.098 120.200 0.042 0.000 2.153 242 E HA -0.152 4.199 4.350 0.001 0.000 0.194 242 E C 2.188 178.815 176.600 0.045 0.000 0.988 242 E CA 1.378 57.807 56.400 0.048 0.000 0.811 242 E CB -0.176 29.557 29.700 0.055 0.000 0.746 242 E HN 0.699 nan 8.360 nan 0.000 0.466 243 A N 0.540 123.385 122.820 0.042 0.000 2.072 243 A HA -0.053 4.267 4.320 0.001 0.000 0.216 243 A C 2.191 179.794 177.584 0.031 0.000 1.156 243 A CA 1.415 53.474 52.037 0.038 0.000 0.701 243 A CB -0.171 18.853 19.000 0.040 0.000 0.816 243 A HN 0.341 nan 8.150 nan 0.000 0.458 244 T N -6.293 108.278 114.554 0.028 0.000 2.978 244 T HA 0.445 4.796 4.350 0.001 0.000 0.248 244 T C 1.445 176.157 174.700 0.022 0.000 1.018 244 T CA 1.164 63.278 62.100 0.023 0.000 1.026 244 T CB 0.493 69.373 68.868 0.019 0.000 1.032 244 T HN 1.511 nan 8.240 nan 0.000 0.485 245 G N 1.527 110.341 108.800 0.024 0.000 2.201 245 G HA2 0.059 4.020 3.960 0.001 0.000 0.212 245 G HA3 0.059 4.020 3.960 0.001 0.000 0.212 245 G C 0.399 175.309 174.900 0.017 0.000 0.994 245 G CA -0.082 45.031 45.100 0.021 0.000 0.644 245 G HN 1.090 nan 8.290 nan 0.000 0.508 246 A N 0.086 122.915 122.820 0.016 0.000 2.386 246 A HA 0.500 4.820 4.320 0.001 0.000 0.246 246 A C 0.171 177.762 177.584 0.011 0.000 1.089 246 A CA 0.808 52.852 52.037 0.012 0.000 0.790 246 A CB 0.360 19.367 19.000 0.012 0.000 1.042 246 A HN 0.441 nan 8.150 nan 0.000 0.497 247 D N 1.199 121.602 120.400 0.005 0.000 2.391 247 D HA 0.228 4.868 4.640 0.001 0.000 0.245 247 D C 0.729 177.029 176.300 -0.001 0.000 1.069 247 D CA -0.461 53.539 54.000 -0.000 0.000 0.831 247 D CB 1.912 42.704 40.800 -0.013 0.000 1.204 247 D HN 0.189 nan 8.370 nan 0.000 0.503 248 V N 4.511 124.426 119.914 0.002 0.000 2.594 248 V HA -0.154 3.966 4.120 0.001 0.000 0.253 248 V C 1.879 177.971 176.094 -0.003 0.000 1.069 248 V CA 1.664 63.966 62.300 0.003 0.000 1.082 248 V CB -0.157 31.669 31.823 0.005 0.000 0.680 248 V HN 0.528 nan 8.190 nan 0.000 0.469 249 E N -0.198 119.995 120.200 -0.011 0.000 2.107 249 E HA -0.176 4.174 4.350 0.001 0.000 0.191 249 E C 2.134 178.727 176.600 -0.010 0.000 0.982 249 E CA 1.204 57.596 56.400 -0.014 0.000 0.809 249 E CB -0.080 29.604 29.700 -0.025 0.000 0.756 249 E HN 0.747 nan 8.360 nan 0.000 0.459 250 E N 0.417 120.610 120.200 -0.011 0.000 2.051 250 E HA -0.128 4.222 4.350 0.001 0.000 0.192 250 E C 2.228 178.828 176.600 -0.000 0.000 0.991 250 E CA 1.147 57.543 56.400 -0.006 0.000 0.799 250 E CB 0.039 29.735 29.700 -0.007 0.000 0.748 250 E HN 0.015 nan 8.360 nan 0.000 0.449 251 V N 1.344 121.259 119.914 0.002 0.000 2.343 251 V HA -0.257 3.863 4.120 0.001 0.000 0.247 251 V C 2.307 178.405 176.094 0.008 0.000 1.051 251 V CA 1.792 64.095 62.300 0.005 0.000 1.036 251 V CB -0.681 31.146 31.823 0.007 0.000 0.654 251 V HN 0.318 nan 8.190 nan 0.000 0.451 252 A N -0.157 122.667 122.820 0.007 0.000 1.933 252 A HA -0.214 4.107 4.320 0.001 0.000 0.218 252 A C 2.399 179.990 177.584 0.012 0.000 1.175 252 A CA 2.445 54.489 52.037 0.011 0.000 0.628 252 A CB -0.925 18.079 19.000 0.007 0.000 0.814 252 A HN 0.509 nan 8.150 nan 0.000 0.444 253 T N 0.358 114.916 114.554 0.007 0.000 2.746 253 T HA -0.018 4.332 4.350 0.001 0.000 0.267 253 T C 2.236 176.942 174.700 0.010 0.000 1.039 253 T CA 1.586 63.690 62.100 0.008 0.000 1.142 253 T CB -0.463 68.408 68.868 0.003 0.000 0.866 253 T HN 0.594 nan 8.240 nan 0.000 0.444 254 A N 1.087 123.912 122.820 0.008 0.000 1.902 254 A HA -0.008 4.312 4.320 0.001 0.000 0.217 254 A C 2.310 179.901 177.584 0.012 0.000 1.181 254 A CA 1.188 53.231 52.037 0.009 0.000 0.623 254 A CB -0.778 18.227 19.000 0.007 0.000 0.818 254 A HN 0.509 nan 8.150 nan 0.000 0.443 255 I N -0.429 120.149 120.570 0.014 0.000 2.179 255 I HA -0.188 3.982 4.170 0.001 0.000 0.242 255 I C 2.624 178.753 176.117 0.021 0.000 1.088 255 I CA 1.235 62.545 61.300 0.017 0.000 1.357 255 I CB -0.558 37.454 38.000 0.020 0.000 1.051 255 I HN 0.404 nan 8.210 nan 0.000 0.409 256 G N 0.192 109.006 108.800 0.023 0.000 2.509 256 G HA2 -0.157 3.804 3.960 0.001 0.000 0.218 256 G HA3 -0.157 3.804 3.960 0.001 0.000 0.218 256 G C 1.647 176.561 174.900 0.024 0.000 1.124 256 G CA 0.166 45.283 45.100 0.028 0.000 0.776 256 G HN 0.263 nan 8.290 nan 0.000 0.547 257 M N 0.451 120.062 119.600 0.019 0.000 2.492 257 M HA 0.064 4.544 4.480 0.001 0.000 0.262 257 M C 0.618 176.927 176.300 0.015 0.000 1.090 257 M CA 0.229 55.538 55.300 0.016 0.000 1.110 257 M CB 0.151 32.759 32.600 0.013 0.000 1.407 257 M HN -0.002 nan 8.290 nan 0.000 0.470 258 D N 1.445 121.855 120.400 0.017 0.000 2.382 258 D HA -0.022 4.618 4.640 0.001 0.000 0.259 258 D C 0.622 176.933 176.300 0.018 0.000 1.224 258 D CA 0.464 54.474 54.000 0.016 0.000 0.894 258 D CB 0.884 41.694 40.800 0.017 0.000 1.127 258 D HN 0.312 nan 8.370 nan 0.000 0.487 259 Q N 2.814 122.623 119.800 0.015 0.000 2.364 259 Q HA -0.115 4.226 4.340 0.001 0.000 0.207 259 Q C 1.599 177.609 176.000 0.016 0.000 0.970 259 Q CA 0.838 56.650 55.803 0.015 0.000 0.888 259 Q CB 0.316 29.061 28.738 0.011 0.000 0.951 259 Q HN 0.461 nan 8.270 nan 0.000 0.469 260 R N -0.295 120.216 120.500 0.017 0.000 2.148 260 R HA -0.004 4.337 4.340 0.001 0.000 0.223 260 R C 1.795 178.112 176.300 0.028 0.000 1.088 260 R CA 0.823 56.934 56.100 0.020 0.000 0.985 260 R CB 0.082 30.394 30.300 0.020 0.000 0.880 260 R HN 0.254 nan 8.270 nan 0.000 0.451 261 I N -0.415 120.174 120.570 0.031 0.000 2.556 261 I HA 0.128 4.298 4.170 0.001 0.000 0.251 261 I C 0.999 177.141 176.117 0.041 0.000 1.105 261 I CA 0.567 61.891 61.300 0.039 0.000 1.436 261 I CB -0.139 37.883 38.000 0.037 0.000 1.139 261 I HN 0.269 nan 8.210 nan 0.000 0.438 262 G N 2.219 111.040 108.800 0.035 0.000 2.758 262 G HA2 -0.245 3.715 3.960 0.001 0.000 0.686 262 G HA3 -0.245 3.715 3.960 0.001 0.000 0.686 262 G C -0.087 174.842 174.900 0.048 0.000 1.389 262 G CA 0.028 45.150 45.100 0.037 0.000 0.845 262 G HN 0.473 nan 8.290 nan 0.000 0.572 263 N N -0.788 117.942 118.700 0.050 0.000 2.230 263 N HA 0.143 4.883 4.740 0.001 0.000 0.202 263 N C 0.291 175.847 175.510 0.077 0.000 1.119 263 N CA 0.098 53.180 53.050 0.053 0.000 0.851 263 N CB 0.505 39.015 38.487 0.038 0.000 0.990 263 N HN 0.510 nan 8.380 nan 0.000 0.497 264 K N 0.376 120.842 120.400 0.110 0.000 2.118 264 K HA 0.252 4.572 4.320 0.001 0.000 0.267 264 K C -0.113 176.666 176.600 0.298 0.000 0.991 264 K CA -0.794 55.608 56.287 0.191 0.000 0.916 264 K CB 0.407 33.036 32.500 0.215 0.000 1.041 264 K HN 0.165 nan 8.250 nan 0.000 0.455 265 F N 0.498 120.454 119.950 0.010 0.000 3.080 265 F HA -0.248 4.279 4.527 0.001 0.000 0.292 265 F C 0.209 176.005 175.800 -0.007 0.000 0.891 265 F CA 0.146 58.143 58.000 -0.004 0.000 1.086 265 F CB -1.027 37.960 39.000 -0.022 0.000 1.095 265 F HN 0.399 nan 8.300 nan 0.000 0.633 266 L N 0.002 121.267 121.223 0.069 0.000 3.255 266 L HA 0.207 4.547 4.340 0.001 0.000 0.293 266 L C 0.313 177.183 176.870 -0.001 0.000 1.302 266 L CA -0.259 54.606 54.840 0.042 0.000 0.977 266 L CB 0.638 42.727 42.059 0.050 0.000 1.390 266 L HN -0.027 nan 8.230 nan 0.000 0.588 267 K N 1.851 122.226 120.400 -0.041 0.000 2.334 267 K HA 0.576 4.897 4.320 0.001 0.000 0.265 267 K C 0.127 176.698 176.600 -0.047 0.000 1.039 267 K CA -0.200 56.056 56.287 -0.052 0.000 0.920 267 K CB 1.235 33.684 32.500 -0.085 0.000 1.160 267 K HN 0.154 nan 8.250 nan 0.000 0.451 268 A N 3.227 126.029 122.820 -0.030 0.000 2.483 268 A HA 0.434 4.754 4.320 0.001 0.000 0.238 268 A C -0.154 177.398 177.584 -0.054 0.000 1.070 268 A CA 0.472 52.490 52.037 -0.030 0.000 0.770 268 A CB -0.074 18.913 19.000 -0.021 0.000 1.008 268 A HN 0.944 nan 8.150 nan 0.000 0.497 269 S N 0.141 115.798 115.700 -0.072 0.000 2.643 269 S HA 0.368 4.838 4.470 0.001 0.000 0.270 269 S C 0.439 174.927 174.600 -0.188 0.000 1.166 269 S CA 0.107 58.236 58.200 -0.118 0.000 0.815 269 S CB 0.832 63.982 63.200 -0.083 0.000 1.139 269 S HN 1.675 nan 8.310 nan 0.000 0.472 270 V N 0.572 120.308 119.914 -0.297 0.000 2.720 270 V HA 0.397 4.518 4.120 0.001 0.000 0.256 270 V C 0.942 176.902 176.094 -0.223 0.000 1.082 270 V CA 2.298 64.358 62.300 -0.401 0.000 1.101 270 V CB -0.376 31.091 31.823 -0.593 0.000 0.693 270 V HN 1.763 nan 8.190 nan 0.000 0.479 271 G N -0.880 107.831 108.800 -0.149 0.000 2.368 271 G HA2 0.270 4.230 3.960 0.001 0.000 0.301 271 G HA3 0.270 4.230 3.960 0.001 0.000 0.301 271 G C -0.807 174.060 174.900 -0.055 0.000 1.640 271 G CA -0.421 44.586 45.100 -0.155 0.000 0.941 271 G HN 0.673 nan 8.290 nan 0.000 0.695 272 F N 0.821 120.789 119.950 0.029 0.000 2.450 272 F HA 0.809 5.336 4.527 0.000 0.000 0.339 272 F C 0.708 176.604 175.800 0.161 0.000 1.146 272 F CA -0.241 57.827 58.000 0.114 0.000 1.267 272 F CB 0.898 39.965 39.000 0.112 0.000 1.178 272 F HN 0.827 nan 8.300 nan 0.000 0.585 273 G N -0.602 108.523 108.800 0.542 0.000 3.135 273 G HA2 0.703 4.663 3.960 0.001 0.000 0.278 273 G HA3 0.703 4.663 3.960 0.001 0.000 0.278 273 G C -0.489 174.394 174.900 -0.028 0.000 1.302 273 G CA -0.605 44.679 45.100 0.307 0.000 0.880 273 G HN 1.759 nan 8.290 nan 0.000 0.574 274 G N -1.674 106.730 108.800 -0.660 0.000 2.663 274 G HA2 0.295 4.255 3.960 0.001 0.000 0.686 274 G HA3 0.295 4.255 3.960 0.001 0.000 0.686 274 G C 0.734 175.324 174.900 -0.517 0.000 1.288 274 G CA 0.619 44.960 45.100 -1.266 0.000 0.836 274 G HN 1.964 nan 8.290 nan 0.000 0.584 275 S N -1.683 113.741 115.700 -0.459 0.000 2.631 275 S HA 0.244 4.714 4.470 0.001 0.000 0.217 275 S C 1.619 176.101 174.600 -0.197 0.000 0.958 275 S CA 1.441 59.499 58.200 -0.236 0.000 0.920 275 S CB -0.115 62.974 63.200 -0.184 0.000 0.776 275 S HN 1.041 nan 8.310 nan 0.000 0.517 276 C N -0.122 118.997 119.300 -0.302 0.000 2.341 276 C HA 0.437 4.897 4.460 0.001 0.000 0.372 276 C C 1.986 176.867 174.990 -0.182 0.000 1.430 276 C CA -0.248 58.593 59.018 -0.294 0.000 2.316 276 C CB -1.240 26.208 27.740 -0.487 0.000 2.416 276 C HN 0.531 nan 8.230 nan 0.000 0.583 277 F N 1.871 121.805 119.950 -0.027 0.000 2.051 277 F HA -0.159 4.369 4.527 0.000 0.000 0.296 277 F C 2.688 178.521 175.800 0.055 0.000 1.122 277 F CA 1.875 59.832 58.000 -0.072 0.000 1.201 277 F CB -1.400 37.392 39.000 -0.347 0.000 0.978 277 F HN 0.286 nan 8.300 nan 0.000 0.472 278 Q N 0.602 120.641 119.800 0.398 0.000 2.096 278 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 278 Q C 2.344 178.439 176.000 0.159 0.000 0.982 278 Q CA 1.975 57.968 55.803 0.315 0.000 0.850 278 Q CB -0.175 28.711 28.738 0.246 0.000 0.901 278 Q HN 0.390 nan 8.270 nan 0.000 0.422 279 K N -0.127 120.329 120.400 0.094 0.000 2.032 279 K HA -0.201 4.120 4.320 0.001 0.000 0.209 279 K C 1.491 178.116 176.600 0.042 0.000 1.048 279 K CA 1.929 58.243 56.287 0.045 0.000 0.927 279 K CB 0.002 32.505 32.500 0.005 0.000 0.712 279 K HN 0.247 nan 8.250 nan 0.000 0.441 280 D N 0.045 120.468 120.400 0.038 0.000 2.117 280 D HA -0.133 4.507 4.640 0.001 0.000 0.197 280 D C 1.906 178.220 176.300 0.024 0.000 0.987 280 D CA 0.975 54.989 54.000 0.022 0.000 0.829 280 D CB -0.173 40.638 40.800 0.017 0.000 0.961 280 D HN 0.028 nan 8.370 nan 0.000 0.460 281 V N 0.721 120.671 119.914 0.061 0.000 2.427 281 V HA -0.170 3.950 4.120 0.001 0.000 0.248 281 V C 2.478 178.629 176.094 0.095 0.000 1.051 281 V CA 1.064 63.401 62.300 0.062 0.000 1.048 281 V CB -0.359 31.550 31.823 0.143 0.000 0.666 281 V HN 0.206 nan 8.190 nan 0.000 0.456 282 L N 0.016 121.302 121.223 0.105 0.000 2.156 282 L HA -0.123 4.217 4.340 0.001 0.000 0.208 282 L C 2.440 179.377 176.870 0.112 0.000 1.095 282 L CA 1.463 56.370 54.840 0.111 0.000 0.770 282 L CB -0.711 41.402 42.059 0.090 0.000 0.914 282 L HN 0.453 nan 8.230 nan 0.000 0.439 283 N N 0.688 119.436 118.700 0.079 0.000 2.084 283 N HA -0.229 4.511 4.740 0.001 0.000 0.190 283 N C 2.011 177.590 175.510 0.114 0.000 1.030 283 N CA 1.233 54.337 53.050 0.091 0.000 0.849 283 N CB 0.059 38.573 38.487 0.045 0.000 1.012 283 N HN 0.140 nan 8.380 nan 0.000 0.423 284 L N 1.471 122.722 121.223 0.048 0.000 2.042 284 L HA -0.125 4.215 4.340 0.001 0.000 0.210 284 L C 2.271 179.186 176.870 0.075 0.000 1.076 284 L CA 1.271 56.115 54.840 0.006 0.000 0.749 284 L CB -0.652 41.319 42.059 -0.145 0.000 0.893 284 L HN 0.009 nan 8.230 nan 0.000 0.432 285 V N -1.276 118.715 119.914 0.128 0.000 2.343 285 V HA -0.323 3.797 4.120 0.001 0.000 0.247 285 V C 2.239 178.420 176.094 0.145 0.000 1.051 285 V CA 1.991 64.391 62.300 0.168 0.000 1.036 285 V CB -0.939 30.993 31.823 0.182 0.000 0.654 285 V HN 0.605 nan 8.190 nan 0.000 0.451 286 Y N 0.530 120.864 120.300 0.057 0.000 2.145 286 Y HA -0.234 4.317 4.550 0.000 0.000 0.286 286 Y C 2.248 178.173 175.900 0.042 0.000 1.145 286 Y CA 1.849 59.976 58.100 0.045 0.000 1.148 286 Y CB -0.351 38.128 38.460 0.032 0.000 0.981 286 Y HN 0.205 nan 8.280 nan 0.000 0.507 287 L N 0.011 121.264 121.223 0.050 0.000 2.013 287 L HA -0.279 4.062 4.340 0.001 0.000 0.212 287 L C 2.417 179.239 176.870 -0.080 0.000 1.073 287 L CA 2.209 57.032 54.840 -0.029 0.000 0.753 287 L CB -1.297 40.797 42.059 0.058 0.000 0.890 287 L HN 0.463 nan 8.230 nan 0.000 0.432 288 C N -0.172 119.119 119.300 -0.015 0.000 2.413 288 C HA -0.184 4.277 4.460 0.001 0.000 0.276 288 C C 2.540 177.497 174.990 -0.055 0.000 1.236 288 C CA 1.137 60.156 59.018 0.000 0.000 1.735 288 C CB -1.201 26.586 27.740 0.079 0.000 2.031 288 C HN 0.611 nan 8.230 nan 0.000 0.474 289 E N 0.945 121.086 120.200 -0.098 0.000 2.085 289 E HA -0.196 4.154 4.350 0.001 0.000 0.194 289 E C 2.305 178.796 176.600 -0.181 0.000 0.994 289 E CA 1.441 57.765 56.400 -0.127 0.000 0.801 289 E CB -0.279 29.341 29.700 -0.133 0.000 0.743 289 E HN 0.705 nan 8.360 nan 0.000 0.453 290 A N 0.583 123.221 122.820 -0.304 0.000 2.067 290 A HA -0.063 4.257 4.320 0.001 0.000 0.219 290 A C 1.858 179.363 177.584 -0.131 0.000 1.158 290 A CA 0.811 52.689 52.037 -0.266 0.000 0.661 290 A CB -0.110 18.668 19.000 -0.371 0.000 0.801 290 A HN 0.141 nan 8.150 nan 0.000 0.452 291 L N -0.748 120.414 121.223 -0.101 0.000 2.769 291 L HA 0.162 4.502 4.340 0.001 0.000 0.240 291 L C -0.325 176.516 176.870 -0.047 0.000 1.163 291 L CA -0.325 54.478 54.840 -0.062 0.000 0.962 291 L CB -0.164 41.865 42.059 -0.050 0.000 1.258 291 L HN 0.309 nan 8.230 nan 0.000 0.513 292 N N 1.346 120.017 118.700 -0.049 0.000 2.746 292 N HA -0.171 4.570 4.740 0.001 0.000 0.250 292 N C -0.468 175.029 175.510 -0.021 0.000 1.055 292 N CA 0.754 53.785 53.050 -0.032 0.000 0.699 292 N CB -1.326 37.144 38.487 -0.028 0.000 0.919 292 N HN 0.315 nan 8.380 nan 0.000 0.548 293 L N 0.310 121.525 121.223 -0.014 0.000 2.678 293 L HA 0.229 4.570 4.340 0.001 0.000 0.250 293 L C -1.282 175.601 176.870 0.021 0.000 1.455 293 L CA -1.204 53.639 54.840 0.005 0.000 0.823 293 L CB 1.273 43.341 42.059 0.015 0.000 1.107 293 L HN -0.077 nan 8.230 nan 0.000 0.514 294 P HA -0.124 nan 4.420 nan 0.000 0.221 294 P C 0.851 178.173 177.300 0.037 0.000 1.150 294 P CA 1.175 64.289 63.100 0.023 0.000 0.800 294 P CB 0.579 32.286 31.700 0.012 0.000 0.787 295 E N -0.112 120.104 120.200 0.026 0.000 2.106 295 E HA -0.086 4.264 4.350 0.001 0.000 0.192 295 E C 2.121 178.753 176.600 0.054 0.000 0.984 295 E CA 0.840 57.256 56.400 0.027 0.000 0.806 295 E CB -1.094 28.605 29.700 -0.001 0.000 0.750 295 E HN 0.063 nan 8.360 nan 0.000 0.458 296 V N 0.911 120.866 119.914 0.067 0.000 2.453 296 V HA -0.184 3.936 4.120 0.001 0.000 0.247 296 V C 2.206 178.452 176.094 0.253 0.000 1.048 296 V CA 1.522 63.904 62.300 0.136 0.000 1.049 296 V CB -0.791 31.125 31.823 0.155 0.000 0.672 296 V HN 0.334 nan 8.190 nan 0.000 0.457 297 A N 1.681 124.612 122.820 0.184 0.000 1.873 297 A HA -0.287 4.033 4.320 0.001 0.000 0.218 297 A C 2.375 180.063 177.584 0.174 0.000 1.193 297 A CA 2.419 54.568 52.037 0.188 0.000 0.629 297 A CB -0.585 18.479 19.000 0.107 0.000 0.826 297 A HN 0.686 nan 8.150 nan 0.000 0.447 298 R N -2.357 118.210 120.500 0.112 0.000 2.148 298 R HA -0.110 4.230 4.340 0.001 0.000 0.223 298 R C 2.012 178.333 176.300 0.034 0.000 1.088 298 R CA 1.553 57.693 56.100 0.068 0.000 0.985 298 R CB -0.669 29.655 30.300 0.039 0.000 0.880 298 R HN 0.521 nan 8.270 nan 0.000 0.451 299 Y N 0.568 120.806 120.300 -0.104 0.000 2.114 299 Y HA -0.177 4.373 4.550 0.000 0.000 0.284 299 Y C 1.383 177.072 175.900 -0.352 0.000 1.143 299 Y CA 1.748 59.677 58.100 -0.286 0.000 1.135 299 Y CB -0.298 37.904 38.460 -0.430 0.000 0.980 299 Y HN 0.054 nan 8.280 nan 0.000 0.499 300 W N 0.014 121.372 121.300 0.097 0.000 2.518 300 W HA -0.078 4.582 4.660 0.000 0.000 0.273 300 W C 2.509 179.020 176.519 -0.013 0.000 1.247 300 W CA 0.924 58.279 57.345 0.018 0.000 1.288 300 W CB -0.486 29.036 29.460 0.103 0.000 1.107 300 W HN 0.104 nan 8.180 nan 0.000 0.586 301 Q N 0.661 120.571 119.800 0.183 0.000 2.181 301 Q HA -0.240 4.101 4.340 0.001 0.000 0.205 301 Q C 2.060 178.091 176.000 0.052 0.000 0.980 301 Q CA 1.642 57.517 55.803 0.120 0.000 0.862 301 Q CB -0.478 28.312 28.738 0.088 0.000 0.905 301 Q HN 0.190 nan 8.270 nan 0.000 0.429 302 Q N -0.635 119.140 119.800 -0.043 0.000 2.234 302 Q HA -0.120 4.220 4.340 0.001 0.000 0.206 302 Q C 2.067 178.047 176.000 -0.033 0.000 0.980 302 Q CA 1.402 57.152 55.803 -0.088 0.000 0.869 302 Q CB -0.236 28.375 28.738 -0.212 0.000 0.912 302 Q HN 0.367 nan 8.270 nan 0.000 0.436 303 V N 0.927 120.858 119.914 0.029 0.000 2.295 303 V HA -0.244 3.876 4.120 0.001 0.000 0.246 303 V C 2.215 178.427 176.094 0.196 0.000 1.049 303 V CA 1.300 63.681 62.300 0.135 0.000 1.024 303 V CB -0.443 31.520 31.823 0.234 0.000 0.648 303 V HN 0.244 nan 8.190 nan 0.000 0.447 304 I N 0.182 120.855 120.570 0.172 0.000 2.286 304 I HA -0.124 4.047 4.170 0.001 0.000 0.245 304 I C 2.220 178.357 176.117 0.033 0.000 1.104 304 I CA 1.292 62.662 61.300 0.117 0.000 1.397 304 I CB -1.429 36.637 38.000 0.110 0.000 1.072 304 I HN 0.301 nan 8.210 nan 0.000 0.417 305 D N 0.259 120.679 120.400 0.034 0.000 2.144 305 D HA -0.210 4.431 4.640 0.001 0.000 0.199 305 D C 2.113 178.435 176.300 0.036 0.000 0.984 305 D CA 1.054 55.065 54.000 0.018 0.000 0.834 305 D CB -0.205 40.595 40.800 -0.001 0.000 0.955 305 D HN 0.180 nan 8.370 nan 0.000 0.465 306 M N 0.690 120.312 119.600 0.038 0.000 2.132 306 M HA -0.097 4.384 4.480 0.001 0.000 0.263 306 M C 1.550 177.901 176.300 0.084 0.000 1.065 306 M CA 1.420 56.772 55.300 0.086 0.000 1.122 306 M CB -0.567 32.069 32.600 0.060 0.000 1.365 306 M HN -0.154 nan 8.290 nan 0.000 0.411 307 N N 0.313 119.000 118.700 -0.022 0.000 2.120 307 N HA -0.172 4.568 4.740 0.001 0.000 0.188 307 N C 1.121 176.523 175.510 -0.180 0.000 1.024 307 N CA 1.870 54.802 53.050 -0.197 0.000 0.852 307 N CB -0.240 37.922 38.487 -0.542 0.000 1.003 307 N HN 0.400 nan 8.380 nan 0.000 0.424 308 D N -1.130 119.200 120.400 -0.118 0.000 2.144 308 D HA -0.161 4.479 4.640 0.001 0.000 0.200 308 D C 1.544 177.854 176.300 0.015 0.000 0.978 308 D CA 0.694 54.646 54.000 -0.081 0.000 0.833 308 D CB -0.445 40.328 40.800 -0.044 0.000 0.961 308 D HN 0.441 nan 8.370 nan 0.000 0.470 309 Y N 1.477 121.739 120.300 -0.065 0.000 2.200 309 Y HA -0.217 4.333 4.550 0.001 0.000 0.290 309 Y C 2.367 178.235 175.900 -0.053 0.000 1.137 309 Y CA 1.685 59.756 58.100 -0.048 0.000 1.163 309 Y CB -0.380 38.055 38.460 -0.040 0.000 0.988 309 Y HN -0.143 nan 8.280 nan 0.000 0.518 310 Q N 0.694 120.362 119.800 -0.219 0.000 2.061 310 Q HA -0.184 4.157 4.340 0.001 0.000 0.204 310 Q C 2.323 178.184 176.000 -0.231 0.000 0.984 310 Q CA 2.156 57.782 55.803 -0.294 0.000 0.846 310 Q CB -0.223 28.425 28.738 -0.151 0.000 0.902 310 Q HN 0.489 nan 8.270 nan 0.000 0.421 311 R N -0.488 119.920 120.500 -0.154 0.000 2.080 311 R HA -0.119 4.221 4.340 0.001 0.000 0.236 311 R C 2.542 178.771 176.300 -0.118 0.000 1.137 311 R CA 1.686 57.747 56.100 -0.064 0.000 0.943 311 R CB -0.370 29.928 30.300 -0.002 0.000 0.846 311 R HN 0.214 nan 8.270 nan 0.000 0.431 312 R N 1.175 121.558 120.500 -0.196 0.000 2.081 312 R HA -0.152 4.189 4.340 0.001 0.000 0.235 312 R C 2.405 178.466 176.300 -0.398 0.000 1.131 312 R CA 1.841 57.692 56.100 -0.415 0.000 0.960 312 R CB -0.054 30.131 30.300 -0.192 0.000 0.856 312 R HN 0.269 nan 8.270 nan 0.000 0.436 313 R N -1.050 119.239 120.500 -0.353 0.000 2.115 313 R HA -0.107 4.234 4.340 0.001 0.000 0.226 313 R C 2.051 178.228 176.300 -0.205 0.000 1.100 313 R CA 1.150 57.059 56.100 -0.318 0.000 0.980 313 R CB -0.812 29.197 30.300 -0.485 0.000 0.875 313 R HN 0.166 nan 8.270 nan 0.000 0.445 314 F N 2.515 122.277 119.950 -0.313 0.000 2.075 314 F HA -0.033 4.494 4.527 0.000 0.000 0.297 314 F C 2.501 178.104 175.800 -0.327 0.000 1.113 314 F CA 1.564 59.411 58.000 -0.255 0.000 1.218 314 F CB -0.502 38.388 39.000 -0.183 0.000 0.984 314 F HN 0.131 nan 8.300 nan 0.000 0.472 315 A N -0.869 121.762 122.820 -0.315 0.000 1.933 315 A HA -0.160 4.160 4.320 0.001 0.000 0.218 315 A C 2.358 179.658 177.584 -0.475 0.000 1.175 315 A CA 1.978 53.748 52.037 -0.446 0.000 0.628 315 A CB -1.203 17.504 19.000 -0.488 0.000 0.814 315 A HN 0.429 nan 8.150 nan 0.000 0.444 316 S N -0.723 114.727 115.700 -0.418 0.000 2.383 316 S HA -0.113 4.357 4.470 0.001 0.000 0.227 316 S C 2.052 176.454 174.600 -0.329 0.000 1.026 316 S CA 1.186 59.194 58.200 -0.319 0.000 0.981 316 S CB -0.255 62.803 63.200 -0.236 0.000 0.818 316 S HN 0.619 nan 8.310 nan 0.000 0.472 317 R N 0.673 120.945 120.500 -0.380 0.000 2.081 317 R HA -0.005 4.336 4.340 0.001 0.000 0.235 317 R C 2.151 178.080 176.300 -0.619 0.000 1.131 317 R CA 1.402 57.278 56.100 -0.374 0.000 0.960 317 R CB -0.514 29.614 30.300 -0.286 0.000 0.856 317 R HN 0.397 nan 8.270 nan 0.000 0.436 318 I N 0.543 120.500 120.570 -1.021 0.000 2.142 318 I HA -0.301 3.870 4.170 0.001 0.000 0.240 318 I C 2.248 177.972 176.117 -0.655 0.000 1.078 318 I CA 1.493 62.040 61.300 -1.256 0.000 1.343 318 I CB -0.290 37.007 38.000 -1.171 0.000 1.046 318 I HN 0.115 nan 8.210 nan 0.000 0.405 319 I N 0.450 120.739 120.570 -0.468 0.000 2.252 319 I HA -0.272 3.899 4.170 0.001 0.000 0.245 319 I C 2.065 178.026 176.117 -0.259 0.000 1.102 319 I CA 1.254 62.369 61.300 -0.308 0.000 1.385 319 I CB -0.484 37.385 38.000 -0.220 0.000 1.064 319 I HN 0.226 nan 8.210 nan 0.000 0.414 320 D N 0.582 120.837 120.400 -0.242 0.000 2.117 320 D HA -0.131 4.509 4.640 0.001 0.000 0.197 320 D C 2.385 178.567 176.300 -0.195 0.000 0.987 320 D CA 1.290 55.196 54.000 -0.157 0.000 0.829 320 D CB -0.133 40.601 40.800 -0.111 0.000 0.961 320 D HN 0.162 nan 8.370 nan 0.000 0.460 321 S N 0.191 115.700 115.700 -0.317 0.000 2.419 321 S HA -0.052 4.418 4.470 0.001 0.000 0.233 321 S C 1.713 175.872 174.600 -0.735 0.000 1.016 321 S CA 0.444 58.356 58.200 -0.480 0.000 0.974 321 S CB -0.041 62.748 63.200 -0.685 0.000 0.786 321 S HN 0.284 nan 8.310 nan 0.000 0.492 322 L N 0.968 121.820 121.223 -0.618 0.000 2.737 322 L HA 0.320 4.661 4.340 0.001 0.000 0.236 322 L C -0.365 176.231 176.870 -0.456 0.000 1.219 322 L CA -0.059 54.403 54.840 -0.630 0.000 1.021 322 L CB -0.761 41.059 42.059 -0.397 0.000 1.291 322 L HN 0.251 nan 8.230 nan 0.000 0.470 323 F N -0.997 118.913 119.950 -0.066 0.000 3.018 323 F HA -0.336 4.192 4.527 0.000 0.000 0.287 323 F C 1.137 176.906 175.800 -0.052 0.000 0.813 323 F CA 0.397 58.374 58.000 -0.038 0.000 1.209 323 F CB -2.020 36.974 39.000 -0.009 0.000 1.321 323 F HN 0.461 nan 8.300 nan 0.000 0.477 324 N N -0.040 118.677 118.700 0.028 0.000 2.741 324 N HA -0.218 4.522 4.740 0.001 0.000 0.251 324 N C -0.362 175.146 175.510 -0.003 0.000 1.112 324 N CA 1.589 54.636 53.050 -0.006 0.000 0.750 324 N CB -0.689 37.807 38.487 0.016 0.000 1.119 324 N HN 0.611 nan 8.380 nan 0.000 0.561 325 T N -1.306 113.243 114.554 -0.008 0.000 3.011 325 T HA 0.583 4.933 4.350 0.001 0.000 0.303 325 T C 0.239 174.889 174.700 -0.083 0.000 0.997 325 T CA -0.102 61.983 62.100 -0.024 0.000 1.007 325 T CB 1.029 69.905 68.868 0.014 0.000 1.017 325 T HN -0.014 nan 8.240 nan 0.000 0.443 326 V N 2.937 122.791 119.914 -0.100 0.000 3.330 326 V HA 0.252 4.373 4.120 0.001 0.000 0.309 326 V C 1.043 177.050 176.094 -0.145 0.000 1.481 326 V CA -0.407 61.805 62.300 -0.147 0.000 1.068 326 V CB 0.139 31.882 31.823 -0.133 0.000 0.935 326 V HN 0.892 nan 8.190 nan 0.000 0.453 327 T N 2.454 116.940 114.554 -0.113 0.000 2.871 327 T HA 0.089 4.439 4.350 0.001 0.000 0.296 327 T C 0.662 175.243 174.700 -0.197 0.000 0.998 327 T CA 0.810 62.834 62.100 -0.125 0.000 1.162 327 T CB -0.040 68.786 68.868 -0.071 0.000 0.947 327 T HN 0.570 nan 8.240 nan 0.000 0.536 328 D N 0.911 121.086 120.400 -0.375 0.000 3.077 328 D HA -0.144 4.496 4.640 0.001 0.000 0.217 328 D C 0.112 176.206 176.300 -0.343 0.000 1.162 328 D CA 1.154 54.784 54.000 -0.617 0.000 0.943 328 D CB -0.613 40.044 40.800 -0.238 0.000 1.122 328 D HN 0.594 nan 8.370 nan 0.000 0.413 329 K N 0.847 121.101 120.400 -0.244 0.000 2.258 329 K HA 0.222 4.542 4.320 0.001 0.000 0.284 329 K C 0.646 177.272 176.600 0.044 0.000 1.051 329 K CA -0.386 55.821 56.287 -0.132 0.000 0.923 329 K CB 1.661 33.938 32.500 -0.372 0.000 1.046 329 K HN -0.000 nan 8.250 nan 0.000 0.474 330 K N 4.596 125.126 120.400 0.217 0.000 2.339 330 K HA 0.232 4.553 4.320 0.001 0.000 0.286 330 K C -0.742 175.976 176.600 0.196 0.000 1.050 330 K CA -0.122 56.297 56.287 0.219 0.000 0.956 330 K CB 0.449 33.019 32.500 0.116 0.000 0.990 330 K HN 0.518 nan 8.250 nan 0.000 0.475 331 I N 3.185 123.863 120.570 0.181 0.000 2.533 331 I HA 0.259 4.429 4.170 0.001 0.000 0.290 331 I C -0.521 175.692 176.117 0.159 0.000 1.056 331 I CA -1.087 60.305 61.300 0.153 0.000 1.057 331 I CB 2.064 40.132 38.000 0.113 0.000 1.240 331 I HN 0.668 nan 8.210 nan 0.000 0.423 332 A N 7.664 130.561 122.820 0.128 0.000 2.309 332 A HA 0.598 4.918 4.320 0.001 0.000 0.290 332 A C -0.353 177.301 177.584 0.118 0.000 1.206 332 A CA -0.284 51.821 52.037 0.115 0.000 0.850 332 A CB 0.090 19.124 19.000 0.056 0.000 1.118 332 A HN 0.522 nan 8.150 nan 0.000 0.523 333 I N 4.343 124.999 120.570 0.145 0.000 2.307 333 I HA 0.190 4.360 4.170 0.001 0.000 0.289 333 I C -0.369 175.833 176.117 0.142 0.000 1.021 333 I CA -0.005 61.390 61.300 0.157 0.000 1.224 333 I CB 0.848 38.976 38.000 0.212 0.000 1.376 333 I HN 0.515 nan 8.210 nan 0.000 0.470 334 L N 6.116 127.363 121.223 0.041 0.000 2.270 334 L HA 0.583 4.924 4.340 0.001 0.000 0.286 334 L C 0.495 177.459 176.870 0.156 0.000 1.059 334 L CA -0.359 54.411 54.840 -0.116 0.000 0.839 334 L CB 0.977 42.588 42.059 -0.747 0.000 1.221 334 L HN 0.878 nan 8.230 nan 0.000 0.431 335 G N 2.266 111.341 108.800 0.457 0.000 3.434 335 G HA2 -0.225 3.735 3.960 0.001 0.000 0.686 335 G HA3 -0.225 3.735 3.960 0.001 0.000 0.686 335 G C -0.742 174.432 174.900 0.456 0.000 1.099 335 G CA -0.655 44.812 45.100 0.611 0.000 0.931 335 G HN 0.537 nan 8.290 nan 0.000 0.520 336 F N 2.205 122.301 119.950 0.244 0.000 2.752 336 F HA 0.637 5.164 4.527 0.001 0.000 0.310 336 F C 1.770 177.678 175.800 0.180 0.000 1.097 336 F CA 1.138 59.238 58.000 0.167 0.000 1.238 336 F CB 0.419 39.474 39.000 0.092 0.000 1.061 336 F HN 0.958 nan 8.300 nan 0.000 0.591 337 A N 0.468 123.488 122.820 0.333 0.000 2.386 337 A HA 0.172 4.492 4.320 0.001 0.000 0.246 337 A C 0.840 178.462 177.584 0.062 0.000 1.089 337 A CA 0.091 52.247 52.037 0.198 0.000 0.790 337 A CB -0.444 18.669 19.000 0.190 0.000 1.042 337 A HN 0.533 nan 8.150 nan 0.000 0.497 338 F N -0.143 119.804 119.950 -0.005 0.000 2.502 338 F HA 0.221 4.749 4.527 0.001 0.000 0.298 338 F C 0.621 176.400 175.800 -0.035 0.000 1.111 338 F CA 0.751 58.739 58.000 -0.019 0.000 1.445 338 F CB -0.211 38.795 39.000 0.010 0.000 1.081 338 F HN 0.598 nan 8.300 nan 0.000 0.558 339 K N 0.440 120.371 120.400 -0.781 0.000 2.571 339 K HA 0.334 4.654 4.320 0.001 0.000 0.289 339 K C -1.196 174.943 176.600 -0.769 0.000 1.028 339 K CA -1.199 54.656 56.287 -0.720 0.000 0.895 339 K CB 1.317 33.282 32.500 -0.892 0.000 1.534 339 K HN 0.139 nan 8.250 nan 0.000 0.421 340 K N 0.323 120.232 120.400 -0.818 0.000 2.230 340 K HA 0.115 4.436 4.320 0.001 0.000 0.253 340 K C -0.852 175.097 176.600 -1.084 0.000 1.008 340 K CA 0.167 55.653 56.287 -1.335 0.000 0.910 340 K CB 0.007 31.913 32.500 -0.991 0.000 0.994 340 K HN 0.668 nan 8.250 nan 0.000 0.495 341 D N -0.585 118.955 120.400 -1.433 0.000 2.800 341 D HA -0.154 4.486 4.640 0.001 0.000 0.232 341 D C -0.734 175.458 176.300 -0.179 0.000 1.137 341 D CA 1.733 55.461 54.000 -0.455 0.000 0.718 341 D CB -1.364 39.286 40.800 -0.249 0.000 1.084 341 D HN 0.772 nan 8.370 nan 0.000 0.432 342 T N -2.940 111.535 114.554 -0.132 0.000 2.802 342 T HA 0.589 4.940 4.350 0.001 0.000 0.311 342 T C 0.781 175.579 174.700 0.163 0.000 1.405 342 T CA 0.002 62.113 62.100 0.018 0.000 1.016 342 T CB 1.678 70.496 68.868 -0.083 0.000 1.352 342 T HN -0.043 nan 8.240 nan 0.000 0.498 343 G N 0.858 109.744 108.800 0.144 0.000 3.126 343 G HA2 0.192 4.152 3.960 0.001 0.000 0.224 343 G HA3 0.192 4.152 3.960 0.001 0.000 0.224 343 G C 0.149 175.141 174.900 0.154 0.000 1.142 343 G CA -0.120 45.073 45.100 0.155 0.000 0.759 343 G HN 0.674 nan 8.290 nan 0.000 0.550 344 D N 1.424 121.921 120.400 0.161 0.000 2.371 344 D HA 0.142 4.783 4.640 0.001 0.000 0.256 344 D C 1.589 178.071 176.300 0.303 0.000 1.193 344 D CA 0.289 54.418 54.000 0.215 0.000 0.881 344 D CB 1.284 42.254 40.800 0.283 0.000 1.143 344 D HN 0.126 nan 8.370 nan 0.000 0.473 345 T N 0.814 115.504 114.554 0.226 0.000 3.105 345 T HA 0.184 4.535 4.350 0.001 0.000 0.253 345 T C 0.908 175.680 174.700 0.121 0.000 1.047 345 T CA -0.453 61.772 62.100 0.207 0.000 0.944 345 T CB 0.030 69.051 68.868 0.254 0.000 1.016 345 T HN 0.212 nan 8.240 nan 0.000 0.544 346 R N 2.474 123.017 120.500 0.071 0.000 2.458 346 R HA 0.093 4.433 4.340 0.001 0.000 0.303 346 R C 0.157 176.422 176.300 -0.058 0.000 1.013 346 R CA 0.008 56.092 56.100 -0.027 0.000 1.026 346 R CB 0.033 30.278 30.300 -0.091 0.000 0.948 346 R HN 0.264 nan 8.270 nan 0.000 0.417 347 E N -0.305 119.909 120.200 0.022 0.000 2.805 347 E HA -0.235 4.115 4.350 0.001 0.000 0.266 347 E C -0.339 176.356 176.600 0.159 0.000 1.092 347 E CA 1.052 57.526 56.400 0.124 0.000 0.781 347 E CB -1.395 28.354 29.700 0.082 0.000 1.379 347 E HN 0.597 nan 8.360 nan 0.000 0.433 348 S N -0.238 115.518 115.700 0.093 0.000 2.537 348 S HA 0.130 4.601 4.470 0.001 0.000 0.286 348 S C 1.495 176.140 174.600 0.075 0.000 1.299 348 S CA 0.474 58.725 58.200 0.084 0.000 1.067 348 S CB 0.825 63.973 63.200 -0.086 0.000 0.864 348 S HN 0.223 nan 8.310 nan 0.000 0.494 349 S N 3.950 119.712 115.700 0.102 0.000 2.440 349 S HA -0.102 4.368 4.470 0.001 0.000 0.238 349 S C 2.057 176.697 174.600 0.067 0.000 1.010 349 S CA 1.467 59.739 58.200 0.121 0.000 0.972 349 S CB -0.278 62.940 63.200 0.030 0.000 0.774 349 S HN 0.785 nan 8.310 nan 0.000 0.501 350 S N 1.666 117.307 115.700 -0.098 0.000 2.382 350 S HA 0.018 4.488 4.470 0.001 0.000 0.228 350 S C 1.729 176.157 174.600 -0.287 0.000 1.027 350 S CA 0.840 58.925 58.200 -0.193 0.000 0.991 350 S CB -0.369 62.601 63.200 -0.384 0.000 0.823 350 S HN 0.469 nan 8.310 nan 0.000 0.469 351 I N 0.223 120.507 120.570 -0.476 0.000 2.163 351 I HA -0.248 3.922 4.170 0.001 0.000 0.243 351 I C 2.061 177.993 176.117 -0.309 0.000 1.085 351 I CA 1.598 62.660 61.300 -0.398 0.000 1.347 351 I CB -0.413 37.270 38.000 -0.528 0.000 1.044 351 I HN 0.285 nan 8.210 nan 0.000 0.408 352 Y N -0.009 120.263 120.300 -0.046 0.000 2.184 352 Y HA -0.159 4.391 4.550 0.001 0.000 0.290 352 Y C 2.467 178.443 175.900 0.125 0.000 1.129 352 Y CA 0.798 58.891 58.100 -0.012 0.000 1.144 352 Y CB -0.261 38.209 38.460 0.017 0.000 0.995 352 Y HN 0.015 nan 8.280 nan 0.000 0.513 353 I N -0.477 120.278 120.570 0.308 0.000 2.226 353 I HA -0.286 3.885 4.170 0.001 0.000 0.245 353 I C 2.283 178.531 176.117 0.217 0.000 1.100 353 I CA 1.363 62.851 61.300 0.313 0.000 1.374 353 I CB -1.494 36.659 38.000 0.255 0.000 1.057 353 I HN 0.125 nan 8.210 nan 0.000 0.413 354 S N 0.608 116.398 115.700 0.149 0.000 2.370 354 S HA -0.171 4.300 4.470 0.001 0.000 0.226 354 S C 1.917 176.562 174.600 0.075 0.000 1.033 354 S CA 1.171 59.450 58.200 0.132 0.000 1.011 354 S CB -0.157 63.163 63.200 0.201 0.000 0.852 354 S HN 0.456 nan 8.310 nan 0.000 0.457 355 K N -0.116 120.286 120.400 0.003 0.000 2.148 355 K HA -0.039 4.282 4.320 0.001 0.000 0.204 355 K C 1.772 178.335 176.600 -0.062 0.000 1.050 355 K CA 1.041 57.278 56.287 -0.083 0.000 0.942 355 K CB -0.248 32.130 32.500 -0.204 0.000 0.724 355 K HN 0.448 nan 8.250 nan 0.000 0.446 356 Y N 1.102 121.415 120.300 0.022 0.000 2.200 356 Y HA -0.152 4.399 4.550 0.001 0.000 0.290 356 Y C 2.118 178.008 175.900 -0.016 0.000 1.137 356 Y CA 0.826 58.929 58.100 0.005 0.000 1.163 356 Y CB -0.060 38.399 38.460 -0.002 0.000 0.988 356 Y HN -0.050 nan 8.280 nan 0.000 0.518 357 L N -1.067 120.242 121.223 0.143 0.000 2.156 357 L HA -0.209 4.132 4.340 0.001 0.000 0.208 357 L C 2.212 179.110 176.870 0.046 0.000 1.095 357 L CA 1.035 55.911 54.840 0.060 0.000 0.770 357 L CB -0.445 41.639 42.059 0.041 0.000 0.914 357 L HN 0.314 nan 8.230 nan 0.000 0.439 358 M N -0.406 119.224 119.600 0.050 0.000 2.159 358 M HA -0.221 4.259 4.480 0.001 0.000 0.263 358 M C 1.696 178.017 176.300 0.035 0.000 1.063 358 M CA 1.550 56.875 55.300 0.041 0.000 1.110 358 M CB -0.410 32.206 32.600 0.027 0.000 1.374 358 M HN 0.109 nan 8.290 nan 0.000 0.411 359 D N 0.369 120.789 120.400 0.033 0.000 2.309 359 D HA -0.129 4.511 4.640 0.001 0.000 0.212 359 D C 1.475 177.795 176.300 0.034 0.000 0.968 359 D CA 0.922 54.944 54.000 0.036 0.000 0.882 359 D CB 0.170 40.993 40.800 0.039 0.000 0.918 359 D HN 0.250 nan 8.370 nan 0.000 0.503 360 E N -1.102 119.113 120.200 0.025 0.000 2.481 360 E HA 0.205 4.556 4.350 0.001 0.000 0.198 360 E C 1.380 177.969 176.600 -0.020 0.000 1.027 360 E CA 0.520 56.919 56.400 -0.001 0.000 0.900 360 E CB 0.660 30.347 29.700 -0.022 0.000 0.993 360 E HN 0.285 nan 8.360 nan 0.000 0.482 361 G N 1.611 110.407 108.800 -0.005 0.000 2.141 361 G HA2 -0.300 3.660 3.960 0.001 0.000 0.242 361 G HA3 -0.300 3.660 3.960 0.001 0.000 0.242 361 G C 0.576 175.440 174.900 -0.060 0.000 0.982 361 G CA 0.155 45.243 45.100 -0.020 0.000 0.662 361 G HN 0.497 nan 8.290 nan 0.000 0.527 362 A N -0.135 122.667 122.820 -0.030 0.000 2.520 362 A HA 0.503 4.823 4.320 0.001 0.000 0.235 362 A C 0.293 177.931 177.584 0.089 0.000 1.065 362 A CA 0.409 52.431 52.037 -0.024 0.000 0.764 362 A CB 0.081 19.089 19.000 0.014 0.000 1.002 362 A HN 0.660 nan 8.150 nan 0.000 0.502 363 H N 1.494 120.611 119.070 0.078 0.000 2.787 363 H HA 0.335 4.891 4.556 0.001 0.000 0.275 363 H C -0.608 174.835 175.328 0.191 0.000 1.183 363 H CA -0.556 55.565 56.048 0.120 0.000 1.290 363 H CB 0.327 30.186 29.762 0.161 0.000 1.438 363 H HN 0.490 nan 8.280 nan 0.000 0.487 364 L N 4.281 125.646 121.223 0.236 0.000 2.331 364 L HA 0.183 4.524 4.340 0.001 0.000 0.278 364 L C 0.370 177.339 176.870 0.166 0.000 1.106 364 L CA -0.092 54.867 54.840 0.199 0.000 0.824 364 L CB 0.493 42.625 42.059 0.122 0.000 1.142 364 L HN 0.624 nan 8.230 nan 0.000 0.443 365 H N 5.005 124.123 119.070 0.080 0.000 2.587 365 H HA 0.464 5.020 4.556 0.001 0.000 0.325 365 H C -0.628 174.744 175.328 0.073 0.000 1.012 365 H CA -0.579 55.506 56.048 0.061 0.000 1.213 365 H CB 1.950 31.747 29.762 0.059 0.000 1.431 365 H HN 0.426 nan 8.280 nan 0.000 0.492 366 I N 4.026 124.668 120.570 0.119 0.000 2.378 366 I HA 0.145 4.315 4.170 0.001 0.000 0.291 366 I C -0.903 175.292 176.117 0.131 0.000 0.992 366 I CA -0.803 60.564 61.300 0.112 0.000 1.154 366 I CB 1.292 39.296 38.000 0.006 0.000 1.315 366 I HN 0.473 nan 8.210 nan 0.000 0.448 367 Y N 6.292 126.626 120.300 0.057 0.000 2.391 367 Y HA 0.526 5.077 4.550 0.001 0.000 0.341 367 Y C -1.291 174.674 175.900 0.108 0.000 0.965 367 Y CA -0.660 57.466 58.100 0.043 0.000 1.067 367 Y CB 1.474 39.946 38.460 0.019 0.000 1.199 367 Y HN 0.539 nan 8.280 nan 0.000 0.450 368 D N 7.639 127.494 120.400 -0.908 0.000 2.990 368 D HA 0.243 4.884 4.640 0.001 0.000 0.227 368 D C -2.401 173.229 176.300 -1.117 0.000 1.249 368 D CA -1.801 51.722 54.000 -0.794 0.000 0.891 368 D CB 3.189 43.890 40.800 -0.166 0.000 1.647 368 D HN 0.384 nan 8.370 nan 0.000 0.530 369 P HA -0.036 nan 4.420 nan 0.000 0.230 369 P C 0.809 177.777 177.300 -0.554 0.000 1.158 369 P CA 0.600 63.205 63.100 -0.824 0.000 0.769 369 P CB 0.693 31.839 31.700 -0.924 0.000 0.807 370 K N -1.193 118.934 120.400 -0.455 0.000 2.504 370 K HA 0.192 4.512 4.320 0.001 0.000 0.203 370 K C 0.703 177.270 176.600 -0.056 0.000 1.350 370 K CA 0.095 56.287 56.287 -0.157 0.000 0.953 370 K CB 0.019 32.547 32.500 0.047 0.000 1.243 370 K HN -0.102 nan 8.250 nan 0.000 0.534 371 V N 4.259 124.157 119.914 -0.026 0.000 2.529 371 V HA 0.227 4.347 4.120 0.001 0.000 0.292 371 V C -2.342 173.722 176.094 -0.050 0.000 1.028 371 V CA -1.415 60.899 62.300 0.023 0.000 1.074 371 V CB 0.565 32.456 31.823 0.113 0.000 0.958 371 V HN 0.319 nan 8.190 nan 0.000 0.481 372 P HA 0.140 nan 4.420 nan 0.000 0.268 372 P C 0.780 178.031 177.300 -0.083 0.000 1.204 372 P CA -0.358 62.708 63.100 -0.057 0.000 0.768 372 P CB 0.419 32.097 31.700 -0.037 0.000 0.842 373 R N 2.069 122.512 120.500 -0.095 0.000 2.159 373 R HA -0.209 4.132 4.340 0.001 0.000 0.237 373 R C 1.014 177.244 176.300 -0.116 0.000 1.131 373 R CA 1.597 57.625 56.100 -0.120 0.000 0.982 373 R CB -0.666 29.576 30.300 -0.097 0.000 0.868 373 R HN 0.296 nan 8.270 nan 0.000 0.453 374 E N 0.873 121.025 120.200 -0.080 0.000 2.106 374 E HA -0.201 4.149 4.350 0.001 0.000 0.192 374 E C 1.971 178.533 176.600 -0.063 0.000 0.984 374 E CA 1.364 57.725 56.400 -0.064 0.000 0.806 374 E CB -0.106 29.568 29.700 -0.043 0.000 0.750 374 E HN 0.347 nan 8.360 nan 0.000 0.458 375 Q N 0.347 120.114 119.800 -0.055 0.000 2.167 375 Q HA -0.038 4.302 4.340 0.001 0.000 0.202 375 Q C 1.798 177.764 176.000 -0.058 0.000 0.970 375 Q CA 1.192 56.980 55.803 -0.025 0.000 0.855 375 Q CB -0.100 28.648 28.738 0.017 0.000 0.911 375 Q HN 0.358 nan 8.270 nan 0.000 0.438 376 I N -0.988 119.467 120.570 -0.192 0.000 2.252 376 I HA -0.232 3.938 4.170 0.001 0.000 0.245 376 I C 1.958 177.915 176.117 -0.267 0.000 1.102 376 I CA 0.754 61.782 61.300 -0.452 0.000 1.385 376 I CB -0.262 37.313 38.000 -0.708 0.000 1.064 376 I HN 0.038 nan 8.210 nan 0.000 0.414 377 V N 0.455 120.262 119.914 -0.178 0.000 2.343 377 V HA -0.229 3.892 4.120 0.001 0.000 0.247 377 V C 2.446 178.500 176.094 -0.066 0.000 1.051 377 V CA 1.507 63.740 62.300 -0.112 0.000 1.036 377 V CB -0.369 31.401 31.823 -0.087 0.000 0.654 377 V HN 0.237 nan 8.190 nan 0.000 0.451 378 V N 0.099 119.985 119.914 -0.047 0.000 2.343 378 V HA -0.245 3.876 4.120 0.001 0.000 0.247 378 V C 2.257 178.346 176.094 -0.009 0.000 1.051 378 V CA 2.122 64.410 62.300 -0.019 0.000 1.036 378 V CB -0.668 31.151 31.823 -0.006 0.000 0.654 378 V HN 0.556 nan 8.190 nan 0.000 0.451 379 D N 0.109 120.520 120.400 0.017 0.000 2.144 379 D HA -0.060 4.581 4.640 0.001 0.000 0.200 379 D C 1.748 178.059 176.300 0.018 0.000 0.978 379 D CA 1.147 55.185 54.000 0.064 0.000 0.833 379 D CB -0.050 40.902 40.800 0.254 0.000 0.961 379 D HN 0.363 nan 8.370 nan 0.000 0.470 380 L N 0.105 121.330 121.223 0.003 0.000 2.629 380 L HA 0.140 4.481 4.340 0.001 0.000 0.230 380 L C 0.491 177.302 176.870 -0.098 0.000 1.151 380 L CA -0.038 54.777 54.840 -0.042 0.000 0.924 380 L CB 0.279 42.328 42.059 -0.016 0.000 1.137 380 L HN -0.248 nan 8.230 nan 0.000 0.457 381 S N -1.701 113.950 115.700 -0.081 0.000 2.617 381 S HA 0.366 4.836 4.470 0.001 0.000 0.283 381 S C -0.318 174.221 174.600 -0.102 0.000 1.189 381 S CA -0.561 57.601 58.200 -0.063 0.000 1.036 381 S CB 0.793 63.989 63.200 -0.005 0.000 1.014 381 S HN 0.194 nan 8.310 nan 0.000 0.522 382 H N 2.781 121.845 119.070 -0.010 0.000 2.928 382 H HA 0.176 4.732 4.556 0.001 0.000 0.338 382 H C -2.027 173.300 175.328 -0.001 0.000 1.047 382 H CA -0.622 55.422 56.048 -0.006 0.000 1.435 382 H CB -0.023 29.736 29.762 -0.004 0.000 1.428 382 H HN 0.306 nan 8.280 nan 0.000 0.590 383 P HA -0.004 nan 4.420 nan 0.000 0.267 383 P C 0.941 178.282 177.300 0.069 0.000 1.205 383 P CA 0.775 63.913 63.100 0.062 0.000 0.765 383 P CB 0.922 32.653 31.700 0.051 0.000 0.828 384 G N 0.813 109.644 108.800 0.051 0.000 2.234 384 G HA2 -0.265 3.695 3.960 0.001 0.000 0.260 384 G HA3 -0.265 3.695 3.960 0.001 0.000 0.260 384 G C 0.287 175.211 174.900 0.040 0.000 0.987 384 G CA 0.058 45.183 45.100 0.042 0.000 0.625 384 G HN 0.821 nan 8.290 nan 0.000 0.532 385 V N -0.541 119.407 119.914 0.057 0.000 2.498 385 V HA 0.860 4.980 4.120 0.001 0.000 0.279 385 V C 1.240 177.356 176.094 0.037 0.000 1.048 385 V CA 0.998 63.328 62.300 0.050 0.000 0.967 385 V CB 1.153 33.027 31.823 0.085 0.000 0.988 385 V HN 1.262 nan 8.190 nan 0.000 0.473 386 S N 3.071 118.785 115.700 0.023 0.000 2.527 386 S HA 0.516 4.987 4.470 0.001 0.000 0.227 386 S C 1.137 175.742 174.600 0.009 0.000 1.059 386 S CA 0.987 59.195 58.200 0.013 0.000 0.919 386 S CB 0.285 63.490 63.200 0.009 0.000 0.805 386 S HN 1.557 nan 8.310 nan 0.000 0.500 387 E N 1.827 122.033 120.200 0.010 0.000 3.170 387 E HA 0.394 4.745 4.350 0.001 0.000 0.212 387 E C -1.089 175.519 176.600 0.014 0.000 1.143 387 E CA -0.731 55.672 56.400 0.006 0.000 1.139 387 E CB -0.475 29.225 29.700 0.000 0.000 1.346 387 E HN 0.378 nan 8.360 nan 0.000 0.432 388 D N 1.280 121.698 120.400 0.029 0.000 2.346 388 D HA 0.008 4.648 4.640 0.001 0.000 0.260 388 D C -0.093 176.233 176.300 0.044 0.000 1.252 388 D CA -0.169 53.867 54.000 0.060 0.000 0.895 388 D CB 0.850 41.711 40.800 0.102 0.000 1.097 388 D HN 0.322 nan 8.370 nan 0.000 0.489 389 D N 2.861 123.280 120.400 0.032 0.000 2.144 389 D HA -0.174 4.466 4.640 0.001 0.000 0.199 389 D C 1.571 177.892 176.300 0.034 0.000 0.984 389 D CA 0.840 54.853 54.000 0.021 0.000 0.834 389 D CB 0.178 40.984 40.800 0.010 0.000 0.955 389 D HN 0.616 nan 8.370 nan 0.000 0.465 390 Q N 0.330 120.168 119.800 0.063 0.000 2.050 390 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 390 Q C 2.219 178.248 176.000 0.048 0.000 0.980 390 Q CA 1.016 56.863 55.803 0.073 0.000 0.840 390 Q CB 0.155 28.968 28.738 0.125 0.000 0.898 390 Q HN 0.102 nan 8.270 nan 0.000 0.424 391 V N 0.912 120.849 119.914 0.039 0.000 2.295 391 V HA -0.283 3.837 4.120 0.001 0.000 0.246 391 V C 2.396 178.478 176.094 -0.019 0.000 1.049 391 V CA 2.089 64.390 62.300 0.002 0.000 1.024 391 V CB -0.799 31.017 31.823 -0.011 0.000 0.648 391 V HN 0.505 nan 8.190 nan 0.000 0.447 392 S N 0.680 116.371 115.700 -0.016 0.000 2.423 392 S HA -0.150 4.320 4.470 0.001 0.000 0.231 392 S C 2.196 176.769 174.600 -0.044 0.000 1.014 392 S CA 1.344 59.522 58.200 -0.035 0.000 0.965 392 S CB -0.578 62.606 63.200 -0.027 0.000 0.785 392 S HN 0.629 nan 8.310 nan 0.000 0.495 393 R N 1.364 121.853 120.500 -0.018 0.000 2.119 393 R HA 0.439 4.780 4.340 0.001 0.000 0.222 393 R C 2.195 178.479 176.300 -0.027 0.000 1.088 393 R CA 1.325 57.415 56.100 -0.017 0.000 0.984 393 R CB -1.289 29.029 30.300 0.029 0.000 0.884 393 R HN 0.599 nan 8.270 nan 0.000 0.447 394 L N -0.448 120.784 121.223 0.015 0.000 2.470 394 L HA 0.290 4.631 4.340 0.001 0.000 0.219 394 L C -0.188 176.686 176.870 0.007 0.000 1.071 394 L CA 0.152 55.044 54.840 0.087 0.000 0.850 394 L CB 0.889 43.017 42.059 0.115 0.000 1.040 394 L HN 0.049 nan 8.230 nan 0.000 0.475 395 V N 0.297 120.177 119.914 -0.057 0.000 2.370 395 V HA 0.349 4.469 4.120 0.001 0.000 0.283 395 V C -0.236 175.748 176.094 -0.184 0.000 1.023 395 V CA -0.271 61.969 62.300 -0.099 0.000 0.857 395 V CB 1.493 33.271 31.823 -0.075 0.000 0.985 395 V HN 0.073 nan 8.190 nan 0.000 0.443 396 T N 6.051 120.428 114.554 -0.296 0.000 2.824 396 T HA 0.603 4.953 4.350 0.001 0.000 0.282 396 T C -0.238 174.318 174.700 -0.239 0.000 0.993 396 T CA -0.266 61.618 62.100 -0.360 0.000 0.967 396 T CB 1.295 69.709 68.868 -0.757 0.000 0.960 396 T HN 0.387 nan 8.240 nan 0.000 0.441 397 I N 2.860 123.341 120.570 -0.150 0.000 2.304 397 I HA 0.253 4.423 4.170 0.001 0.000 0.291 397 I C 0.510 176.619 176.117 -0.014 0.000 1.018 397 I CA -0.481 60.766 61.300 -0.089 0.000 1.260 397 I CB 1.060 38.993 38.000 -0.111 0.000 1.390 397 I HN 0.521 nan 8.210 nan 0.000 0.475 398 S N 5.589 121.328 115.700 0.066 0.000 2.565 398 S HA 0.208 4.678 4.470 0.001 0.000 0.274 398 S C 1.011 175.719 174.600 0.180 0.000 1.309 398 S CA -0.655 57.628 58.200 0.140 0.000 1.043 398 S CB 1.617 64.937 63.200 0.200 0.000 0.939 398 S HN 0.545 nan 8.310 nan 0.000 0.504 399 K N 0.934 121.416 120.400 0.137 0.000 2.243 399 K HA 0.007 4.327 4.320 0.001 0.000 0.201 399 K C 0.066 176.783 176.600 0.195 0.000 1.051 399 K CA 0.903 57.276 56.287 0.143 0.000 0.970 399 K CB 0.080 32.623 32.500 0.070 0.000 0.755 399 K HN 0.825 nan 8.250 nan 0.000 0.465 400 D N -2.322 118.111 120.400 0.056 0.000 2.570 400 D HA 0.113 4.753 4.640 0.001 0.000 0.244 400 D C -2.389 173.604 176.300 -0.510 0.000 1.178 400 D CA -1.833 51.997 54.000 -0.284 0.000 0.881 400 D CB 1.899 42.639 40.800 -0.099 0.000 1.453 400 D HN -0.330 nan 8.370 nan 0.000 0.447 401 P HA -0.113 nan 4.420 nan 0.000 0.226 401 P C 0.584 177.581 177.300 -0.504 0.000 1.153 401 P CA 0.939 63.601 63.100 -0.730 0.000 0.777 401 P CB -0.027 31.157 31.700 -0.860 0.000 0.794 402 Y N 0.400 120.579 120.300 -0.203 0.000 2.337 402 Y HA -0.041 4.509 4.550 0.001 0.000 0.293 402 Y C 2.788 178.635 175.900 -0.087 0.000 1.123 402 Y CA 0.783 58.807 58.100 -0.126 0.000 1.201 402 Y CB -0.881 37.512 38.460 -0.112 0.000 1.011 402 Y HN -0.040 nan 8.280 nan 0.000 0.545 403 E N 0.961 121.188 120.200 0.045 0.000 2.077 403 E HA -0.195 4.155 4.350 0.001 0.000 0.193 403 E C 2.332 178.935 176.600 0.005 0.000 0.989 403 E CA 1.177 57.599 56.400 0.037 0.000 0.800 403 E CB -0.177 29.561 29.700 0.063 0.000 0.746 403 E HN 0.385 nan 8.360 nan 0.000 0.452 404 A N 0.308 123.134 122.820 0.010 0.000 1.940 404 A HA -0.189 4.131 4.320 0.001 0.000 0.219 404 A C 2.525 180.083 177.584 -0.042 0.000 1.176 404 A CA 1.611 53.665 52.037 0.029 0.000 0.631 404 A CB -0.765 18.275 19.000 0.067 0.000 0.814 404 A HN 0.461 nan 8.150 nan 0.000 0.446 405 C N -0.061 119.214 119.300 -0.041 0.000 2.618 405 C HA 0.123 4.583 4.460 0.001 0.000 0.264 405 C C 0.827 175.810 174.990 -0.011 0.000 1.334 405 C CA -0.525 58.487 59.018 -0.010 0.000 1.731 405 C CB -1.265 26.480 27.740 0.008 0.000 1.852 405 C HN 0.555 nan 8.230 nan 0.000 0.566 406 D N 0.560 120.938 120.400 -0.035 0.000 2.346 406 D HA 0.350 4.990 4.640 0.001 0.000 0.260 406 D C 1.243 177.499 176.300 -0.074 0.000 1.252 406 D CA 1.389 55.367 54.000 -0.037 0.000 0.895 406 D CB 0.143 40.928 40.800 -0.025 0.000 1.097 406 D HN 0.488 nan 8.370 nan 0.000 0.489 407 G N 2.813 111.573 108.800 -0.066 0.000 2.155 407 G HA2 -0.176 3.785 3.960 0.001 0.000 0.257 407 G HA3 -0.176 3.785 3.960 0.001 0.000 0.257 407 G C 0.529 175.382 174.900 -0.079 0.000 0.983 407 G CA 0.376 45.427 45.100 -0.082 0.000 0.676 407 G HN 0.876 nan 8.290 nan 0.000 0.528 408 A N -0.698 122.094 122.820 -0.046 0.000 2.332 408 A HA 0.681 5.002 4.320 0.001 0.000 0.258 408 A C 1.060 178.649 177.584 0.010 0.000 1.087 408 A CA 0.440 52.497 52.037 0.033 0.000 0.802 408 A CB 0.304 19.342 19.000 0.065 0.000 1.042 408 A HN 0.459 nan 8.150 nan 0.000 0.489 409 H N 0.102 119.220 119.070 0.079 0.000 2.520 409 H HA 0.352 4.908 4.556 0.001 0.000 0.279 409 H C 0.582 176.042 175.328 0.220 0.000 0.990 409 H CA 1.170 57.293 56.048 0.126 0.000 1.288 409 H CB 0.532 30.355 29.762 0.103 0.000 1.446 409 H HN 0.745 nan 8.280 nan 0.000 0.538 410 A N 1.029 124.043 122.820 0.324 0.000 2.520 410 A HA 0.503 4.823 4.320 0.001 0.000 0.298 410 A C -1.122 176.604 177.584 0.236 0.000 1.051 410 A CA -0.510 51.728 52.037 0.335 0.000 0.690 410 A CB 1.843 21.051 19.000 0.348 0.000 1.281 410 A HN -0.021 nan 8.150 nan 0.000 0.402 411 V N 2.134 122.182 119.914 0.223 0.000 2.357 411 V HA 0.467 4.588 4.120 0.001 0.000 0.284 411 V C -0.475 175.725 176.094 0.178 0.000 1.018 411 V CA -0.518 61.868 62.300 0.143 0.000 0.841 411 V CB 1.349 33.221 31.823 0.082 0.000 0.991 411 V HN 0.647 nan 8.190 nan 0.000 0.437 412 V N 6.565 126.577 119.914 0.164 0.000 2.334 412 V HA 0.439 4.559 4.120 0.001 0.000 0.281 412 V C 0.057 176.247 176.094 0.161 0.000 1.016 412 V CA -0.373 62.055 62.300 0.214 0.000 0.832 412 V CB 1.479 33.408 31.823 0.177 0.000 0.999 412 V HN 0.698 nan 8.190 nan 0.000 0.439 413 I N 4.330 125.003 120.570 0.171 0.000 2.308 413 I HA 0.145 4.315 4.170 0.001 0.000 0.293 413 I C 0.781 177.009 176.117 0.185 0.000 1.078 413 I CA 0.093 61.462 61.300 0.115 0.000 1.292 413 I CB 0.691 38.758 38.000 0.112 0.000 1.423 413 I HN 0.685 nan 8.210 nan 0.000 0.493 414 C N 3.292 122.708 119.300 0.192 0.000 2.865 414 C HA 0.162 4.622 4.460 0.001 0.000 0.280 414 C C 1.038 176.111 174.990 0.138 0.000 1.255 414 C CA 0.252 59.359 59.018 0.148 0.000 1.705 414 C CB -0.346 27.484 27.740 0.151 0.000 2.080 414 C HN 0.711 nan 8.230 nan 0.000 0.591 415 T N 1.318 116.030 114.554 0.262 0.000 2.893 415 T HA 0.215 4.565 4.350 0.001 0.000 0.293 415 T C 0.200 175.039 174.700 0.232 0.000 1.027 415 T CA -0.237 61.977 62.100 0.190 0.000 0.988 415 T CB 1.452 70.457 68.868 0.229 0.000 1.043 415 T HN 0.315 nan 8.240 nan 0.000 0.461 416 E N 1.436 121.625 120.200 -0.020 0.000 2.330 416 E HA -0.018 4.332 4.350 0.001 0.000 0.210 416 E C -0.785 175.768 176.600 -0.078 0.000 1.256 416 E CA -0.548 55.855 56.400 0.005 0.000 1.346 416 E CB -0.328 29.332 29.700 -0.066 0.000 1.308 416 E HN 0.618 nan 8.360 nan 0.000 0.441 417 W N 1.570 122.779 121.300 -0.151 0.000 2.314 417 W HA -0.015 4.645 4.660 0.001 0.000 0.339 417 W C 1.234 177.568 176.519 -0.308 0.000 1.293 417 W CA -0.030 57.083 57.345 -0.387 0.000 1.288 417 W CB 0.551 29.487 29.460 -0.873 0.000 1.186 417 W HN 0.118 nan 8.180 nan 0.000 0.566 418 D N 2.781 123.211 120.400 0.050 0.000 2.219 418 D HA -0.193 4.448 4.640 0.001 0.000 0.205 418 D C 2.198 178.529 176.300 0.052 0.000 0.970 418 D CA 1.694 55.724 54.000 0.048 0.000 0.851 418 D CB -0.141 40.687 40.800 0.046 0.000 0.943 418 D HN 0.556 nan 8.370 nan 0.000 0.488 419 M N -1.191 118.401 119.600 -0.013 0.000 2.358 419 M HA -0.078 4.402 4.480 0.001 0.000 0.264 419 M C 1.449 177.825 176.300 0.126 0.000 1.064 419 M CA 1.173 56.474 55.300 0.000 0.000 1.093 419 M CB -0.497 32.061 32.600 -0.071 0.000 1.401 419 M HN -0.220 nan 8.290 nan 0.000 0.440 420 F N 2.537 122.579 119.950 0.153 0.000 2.365 420 F HA -0.017 4.511 4.527 0.001 0.000 0.300 420 F C 2.248 178.168 175.800 0.201 0.000 1.090 420 F CA 0.964 59.051 58.000 0.144 0.000 1.408 420 F CB -0.846 38.272 39.000 0.197 0.000 1.060 420 F HN 0.369 nan 8.300 nan 0.000 0.534 421 K N -0.342 120.261 120.400 0.338 0.000 2.418 421 K HA 0.003 4.324 4.320 0.001 0.000 0.195 421 K C 0.770 177.526 176.600 0.260 0.000 1.035 421 K CA 0.851 57.313 56.287 0.293 0.000 1.003 421 K CB -0.152 32.460 32.500 0.187 0.000 0.793 421 K HN 0.073 nan 8.250 nan 0.000 0.494 422 E N 1.299 121.615 120.200 0.192 0.000 2.474 422 E HA 0.143 4.493 4.350 0.001 0.000 0.195 422 E C 0.400 177.054 176.600 0.091 0.000 1.039 422 E CA -0.041 56.440 56.400 0.134 0.000 0.881 422 E CB 0.028 29.785 29.700 0.094 0.000 0.970 422 E HN 0.317 nan 8.360 nan 0.000 0.486 423 L N 1.614 122.840 121.223 0.005 0.000 2.467 423 L HA 0.050 4.390 4.340 0.001 0.000 0.270 423 L C 0.818 177.596 176.870 -0.154 0.000 1.205 423 L CA -0.218 54.502 54.840 -0.199 0.000 0.828 423 L CB 0.265 41.930 42.059 -0.657 0.000 1.101 423 L HN -0.158 nan 8.230 nan 0.000 0.479 424 D N 0.664 121.086 120.400 0.035 0.000 2.416 424 D HA 0.021 4.662 4.640 0.001 0.000 0.240 424 D C 0.537 176.887 176.300 0.083 0.000 1.250 424 D CA 0.261 54.316 54.000 0.092 0.000 0.967 424 D CB 0.239 41.089 40.800 0.084 0.000 1.059 424 D HN 0.281 nan 8.370 nan 0.000 0.512 425 Y N 1.542 121.960 120.300 0.198 0.000 2.395 425 Y HA -0.079 4.472 4.550 0.001 0.000 0.293 425 Y C 2.184 178.293 175.900 0.349 0.000 1.123 425 Y CA 0.587 58.846 58.100 0.265 0.000 1.227 425 Y CB 0.220 38.784 38.460 0.173 0.000 1.012 425 Y HN 0.366 nan 8.280 nan 0.000 0.552 426 E N 1.098 121.498 120.200 0.333 0.000 2.077 426 E HA -0.229 4.121 4.350 0.001 0.000 0.193 426 E C 2.286 178.997 176.600 0.184 0.000 0.989 426 E CA 1.398 57.927 56.400 0.215 0.000 0.800 426 E CB -0.150 29.623 29.700 0.121 0.000 0.746 426 E HN 0.304 nan 8.360 nan 0.000 0.452 427 R N 0.190 120.775 120.500 0.142 0.000 2.083 427 R HA -0.128 4.212 4.340 0.001 0.000 0.237 427 R C 2.393 178.775 176.300 0.136 0.000 1.137 427 R CA 1.836 57.986 56.100 0.083 0.000 0.951 427 R CB -0.467 29.829 30.300 -0.007 0.000 0.851 427 R HN 0.302 nan 8.270 nan 0.000 0.434 428 I N 0.278 120.991 120.570 0.238 0.000 2.208 428 I HA -0.323 3.848 4.170 0.001 0.000 0.245 428 I C 2.731 179.002 176.117 0.256 0.000 1.097 428 I CA 1.547 63.008 61.300 0.269 0.000 1.363 428 I CB -0.662 37.519 38.000 0.302 0.000 1.051 428 I HN 0.412 nan 8.210 nan 0.000 0.413 429 H N 2.093 121.276 119.070 0.189 0.000 2.352 429 H HA -0.193 4.363 4.556 0.001 0.000 0.299 429 H C 2.094 177.348 175.328 -0.123 0.000 1.097 429 H CA 1.773 57.730 56.048 -0.151 0.000 1.311 429 H CB 0.162 29.645 29.762 -0.466 0.000 1.377 429 H HN 0.298 nan 8.280 nan 0.000 0.504 430 K N 0.397 120.741 120.400 -0.094 0.000 2.147 430 K HA -0.088 4.232 4.320 0.001 0.000 0.205 430 K C 1.960 178.464 176.600 -0.160 0.000 1.049 430 K CA 1.134 57.337 56.287 -0.140 0.000 0.936 430 K CB 0.135 32.614 32.500 -0.035 0.000 0.722 430 K HN 0.202 nan 8.250 nan 0.000 0.446 431 K N -0.143 120.196 120.400 -0.101 0.000 2.387 431 K HA 0.188 4.508 4.320 0.001 0.000 0.198 431 K C 0.212 176.750 176.600 -0.104 0.000 1.022 431 K CA -0.131 56.105 56.287 -0.085 0.000 1.128 431 K CB 0.394 32.872 32.500 -0.038 0.000 0.853 431 K HN 0.060 nan 8.250 nan 0.000 0.523 432 M N 1.146 120.656 119.600 -0.150 0.000 2.342 432 M HA 0.245 4.725 4.480 0.001 0.000 0.332 432 M C -0.068 176.106 176.300 -0.210 0.000 1.166 432 M CA -0.604 54.611 55.300 -0.141 0.000 1.086 432 M CB 1.080 33.635 32.600 -0.076 0.000 1.541 432 M HN -0.044 nan 8.290 nan 0.000 0.462 433 L N 2.460 123.543 121.223 -0.232 0.000 2.452 433 L HA 0.216 4.556 4.340 0.001 0.000 0.267 433 L C 0.042 176.791 176.870 -0.201 0.000 1.188 433 L CA -0.219 54.459 54.840 -0.271 0.000 0.821 433 L CB 0.313 42.066 42.059 -0.509 0.000 1.102 433 L HN 0.499 nan 8.230 nan 0.000 0.470 434 K N 2.597 122.912 120.400 -0.142 0.000 2.259 434 K HA 0.508 4.828 4.320 0.001 0.000 0.252 434 K C -2.245 174.356 176.600 0.000 0.000 0.936 434 K CA -1.744 54.482 56.287 -0.101 0.000 0.810 434 K CB 1.017 33.447 32.500 -0.116 0.000 1.143 434 K HN 0.380 nan 8.250 nan 0.000 0.427 435 P HA 0.223 nan 4.420 nan 0.000 0.271 435 P C -1.032 176.144 177.300 -0.207 0.000 1.216 435 P CA -0.461 62.545 63.100 -0.156 0.000 0.776 435 P CB 0.721 32.284 31.700 -0.228 0.000 0.881 436 A N 3.400 126.058 122.820 -0.270 0.000 2.253 436 A HA 0.548 4.868 4.320 0.001 0.000 0.316 436 A C -0.595 176.903 177.584 -0.144 0.000 1.327 436 A CA -0.586 51.392 52.037 -0.097 0.000 0.917 436 A CB -0.268 18.692 19.000 -0.066 0.000 1.162 436 A HN 0.421 nan 8.150 nan 0.000 0.535 437 F N 1.662 121.668 119.950 0.093 0.000 2.399 437 F HA 0.575 5.102 4.527 0.001 0.000 0.334 437 F C 0.329 176.064 175.800 -0.108 0.000 1.097 437 F CA -0.394 57.550 58.000 -0.094 0.000 1.076 437 F CB 1.660 40.541 39.000 -0.199 0.000 1.162 437 F HN 0.345 nan 8.300 nan 0.000 0.495 438 I N 3.432 123.904 120.570 -0.164 0.000 2.382 438 I HA 0.266 4.437 4.170 0.001 0.000 0.286 438 I C -1.222 174.699 176.117 -0.326 0.000 1.002 438 I CA -0.476 60.696 61.300 -0.214 0.000 1.135 438 I CB 1.164 38.921 38.000 -0.406 0.000 1.288 438 I HN 0.364 nan 8.210 nan 0.000 0.448 439 F N 4.249 124.229 119.950 0.050 0.000 2.332 439 F HA 0.232 4.759 4.527 0.001 0.000 0.368 439 F C 0.413 176.347 175.800 0.223 0.000 1.110 439 F CA -0.692 57.362 58.000 0.089 0.000 1.087 439 F CB 0.693 39.644 39.000 -0.082 0.000 1.235 439 F HN 0.363 nan 8.300 nan 0.000 0.470 440 D N 2.861 123.456 120.400 0.325 0.000 2.441 440 D HA 0.175 4.815 4.640 0.001 0.000 0.221 440 D C 1.189 177.624 176.300 0.225 0.000 1.156 440 D CA -0.163 53.974 54.000 0.228 0.000 0.896 440 D CB 1.253 42.133 40.800 0.133 0.000 1.028 440 D HN 0.690 nan 8.370 nan 0.000 0.509 441 G N 3.354 112.242 108.800 0.147 0.000 2.848 441 G HA2 -0.099 3.862 3.960 0.001 0.000 0.208 441 G HA3 -0.099 3.862 3.960 0.001 0.000 0.208 441 G C 1.093 175.880 174.900 -0.187 0.000 1.152 441 G CA -0.034 44.891 45.100 -0.292 0.000 0.789 441 G HN 0.377 nan 8.290 nan 0.000 0.531 442 R N -0.625 119.854 120.500 -0.036 0.000 2.538 442 R HA 0.163 4.503 4.340 0.001 0.000 0.372 442 R C 0.459 176.762 176.300 0.004 0.000 0.950 442 R CA -0.524 55.562 56.100 -0.024 0.000 1.168 442 R CB 0.400 30.707 30.300 0.012 0.000 1.542 442 R HN 0.099 nan 8.270 nan 0.000 0.536 443 R N -0.137 120.380 120.500 0.028 0.000 3.863 443 R HA -0.131 4.209 4.340 0.001 0.000 0.313 443 R C 0.955 177.280 176.300 0.041 0.000 1.202 443 R CA 0.834 56.953 56.100 0.032 0.000 0.852 443 R CB -2.893 27.406 30.300 -0.002 0.000 1.292 443 R HN 0.173 nan 8.270 nan 0.000 0.519 444 V N 0.212 120.168 119.914 0.070 0.000 3.041 444 V HA -0.002 4.118 4.120 0.001 0.000 0.260 444 V C 1.732 177.882 176.094 0.093 0.000 1.105 444 V CA 1.531 63.883 62.300 0.086 0.000 1.125 444 V CB -0.018 31.889 31.823 0.138 0.000 0.730 444 V HN 0.362 nan 8.190 nan 0.000 0.479 445 L N -0.077 121.201 121.223 0.092 0.000 2.818 445 L HA 0.318 4.658 4.340 0.001 0.000 0.243 445 L C -0.059 176.884 176.870 0.121 0.000 1.185 445 L CA -0.397 54.491 54.840 0.080 0.000 0.988 445 L CB -0.072 41.984 42.059 -0.005 0.000 1.292 445 L HN 0.220 nan 8.230 nan 0.000 0.519 446 D N 1.296 121.723 120.400 0.045 0.000 2.488 446 D HA 0.252 4.893 4.640 0.001 0.000 0.238 446 D C 1.346 177.626 176.300 -0.033 0.000 1.138 446 D CA 1.466 55.418 54.000 -0.079 0.000 0.873 446 D CB 1.005 41.744 40.800 -0.101 0.000 1.183 446 D HN 0.305 nan 8.370 nan 0.000 0.458 447 G N 1.722 110.484 108.800 -0.063 0.000 2.184 447 G HA2 -0.282 3.678 3.960 0.001 0.000 0.264 447 G HA3 -0.282 3.678 3.960 0.001 0.000 0.264 447 G C 0.848 175.772 174.900 0.039 0.000 0.975 447 G CA 0.163 45.258 45.100 -0.008 0.000 0.642 447 G HN 0.505 nan 8.290 nan 0.000 0.536 448 L N 0.121 121.388 121.223 0.074 0.000 2.607 448 L HA 0.240 4.581 4.340 0.001 0.000 0.228 448 L C 2.167 179.080 176.870 0.072 0.000 1.123 448 L CA -0.019 54.852 54.840 0.052 0.000 0.890 448 L CB -0.429 41.627 42.059 -0.006 0.000 1.103 448 L HN 0.373 nan 8.230 nan 0.000 0.468 449 H N 0.494 119.528 119.070 -0.060 0.000 2.321 449 H HA -0.137 4.419 4.556 0.001 0.000 0.300 449 H C 1.683 176.985 175.328 -0.044 0.000 1.087 449 H CA 1.408 57.419 56.048 -0.062 0.000 1.319 449 H CB 0.408 30.143 29.762 -0.045 0.000 1.379 449 H HN 0.393 nan 8.280 nan 0.000 0.501 450 N N 0.860 119.620 118.700 0.099 0.000 2.104 450 N HA -0.162 4.578 4.740 0.001 0.000 0.190 450 N C 1.922 177.440 175.510 0.015 0.000 1.024 450 N CA 1.485 54.561 53.050 0.043 0.000 0.853 450 N CB -0.307 38.200 38.487 0.033 0.000 1.008 450 N HN 0.685 nan 8.380 nan 0.000 0.424 451 E N 0.549 120.759 120.200 0.017 0.000 2.285 451 E HA -0.033 4.317 4.350 0.001 0.000 0.194 451 E C 1.847 178.455 176.600 0.014 0.000 0.997 451 E CA 0.348 56.756 56.400 0.013 0.000 0.845 451 E CB -0.265 29.451 29.700 0.027 0.000 0.782 451 E HN 0.283 nan 8.360 nan 0.000 0.491 452 L N 0.704 121.920 121.223 -0.011 0.000 2.109 452 L HA -0.106 4.234 4.340 0.001 0.000 0.207 452 L C 2.708 179.616 176.870 0.063 0.000 1.086 452 L CA 1.092 55.952 54.840 0.034 0.000 0.760 452 L CB -0.350 41.588 42.059 -0.202 0.000 0.910 452 L HN 0.154 nan 8.230 nan 0.000 0.437 453 Q N -0.566 119.219 119.800 -0.026 0.000 2.124 453 Q HA -0.175 4.165 4.340 0.001 0.000 0.202 453 Q C 2.168 178.124 176.000 -0.072 0.000 0.977 453 Q CA 1.975 57.750 55.803 -0.046 0.000 0.850 453 Q CB -0.262 28.451 28.738 -0.041 0.000 0.901 453 Q HN 0.463 nan 8.270 nan 0.000 0.429 454 T N 1.339 115.859 114.554 -0.056 0.000 2.737 454 T HA -0.077 4.274 4.350 0.001 0.000 0.265 454 T C 1.872 176.492 174.700 -0.134 0.000 1.038 454 T CA 0.842 62.899 62.100 -0.072 0.000 1.144 454 T CB -0.172 68.673 68.868 -0.038 0.000 0.866 454 T HN 0.199 nan 8.240 nan 0.000 0.434 455 I N 0.609 121.091 120.570 -0.147 0.000 2.423 455 I HA -0.096 4.074 4.170 0.001 0.000 0.254 455 I C 1.971 177.661 176.117 -0.712 0.000 1.151 455 I CA 1.353 62.465 61.300 -0.314 0.000 1.421 455 I CB -0.306 37.586 38.000 -0.180 0.000 1.079 455 I HN 0.539 nan 8.210 nan 0.000 0.431 456 G N -0.302 108.176 108.800 -0.537 0.000 2.164 456 G HA2 -0.182 3.778 3.960 0.001 0.000 0.154 456 G HA3 -0.182 3.778 3.960 0.001 0.000 0.154 456 G C 0.070 174.729 174.900 -0.401 0.000 1.014 456 G CA -0.778 44.013 45.100 -0.516 0.000 0.683 456 G HN 0.153 nan 8.290 nan 0.000 0.500 457 F N 1.541 121.355 119.950 -0.226 0.000 2.399 457 F HA 0.464 4.992 4.527 0.001 0.000 0.342 457 F C 1.254 176.900 175.800 -0.258 0.000 1.106 457 F CA -0.155 57.731 58.000 -0.190 0.000 1.196 457 F CB 0.895 39.777 39.000 -0.197 0.000 1.163 457 F HN -0.008 nan 8.300 nan 0.000 0.547 458 Q N 3.326 123.026 119.800 -0.166 0.000 2.344 458 Q HA 0.271 4.612 4.340 0.001 0.000 0.253 458 Q C -0.826 175.042 176.000 -0.220 0.000 1.050 458 Q CA -0.536 55.121 55.803 -0.242 0.000 0.912 458 Q CB 1.159 29.634 28.738 -0.440 0.000 1.258 458 Q HN 0.418 nan 8.270 nan 0.000 0.443 459 I N 2.626 123.058 120.570 -0.230 0.000 2.336 459 I HA 0.227 4.397 4.170 0.001 0.000 0.292 459 I C -0.793 175.153 176.117 -0.285 0.000 0.991 459 I CA -0.068 61.020 61.300 -0.354 0.000 1.227 459 I CB 0.942 38.608 38.000 -0.557 0.000 1.366 459 I HN 0.492 nan 8.210 nan 0.000 0.466 460 E N 4.482 124.531 120.200 -0.252 0.000 2.317 460 E HA 0.565 4.916 4.350 0.001 0.000 0.270 460 E C -1.128 175.536 176.600 0.107 0.000 0.885 460 E CA -0.855 55.511 56.400 -0.056 0.000 0.760 460 E CB 2.364 32.015 29.700 -0.081 0.000 1.227 460 E HN 0.624 nan 8.360 nan 0.000 0.434 461 T N 0.934 115.610 114.554 0.202 0.000 2.787 461 T HA 0.448 4.798 4.350 0.001 0.000 0.297 461 T C -1.039 173.783 174.700 0.202 0.000 1.221 461 T CA -0.591 61.650 62.100 0.236 0.000 1.006 461 T CB 0.931 69.928 68.868 0.215 0.000 1.328 461 T HN 0.354 nan 8.240 nan 0.000 0.509 462 I N 2.349 123.007 120.570 0.146 0.000 2.533 462 I HA 0.379 4.549 4.170 0.001 0.000 0.284 462 I C 1.412 177.558 176.117 0.049 0.000 1.109 462 I CA 1.376 62.720 61.300 0.074 0.000 1.412 462 I CB 0.724 38.704 38.000 -0.033 0.000 1.396 462 I HN 1.040 nan 8.210 nan 0.000 0.543 463 G N 4.643 113.473 108.800 0.049 0.000 2.149 463 G HA2 -0.256 3.704 3.960 0.001 0.000 0.235 463 G HA3 -0.256 3.704 3.960 0.001 0.000 0.235 463 G C 0.016 174.937 174.900 0.036 0.000 1.018 463 G CA -0.267 44.853 45.100 0.034 0.000 0.728 463 G HN 0.599 nan 8.290 nan 0.000 0.508 464 K N 0.121 120.554 120.400 0.056 0.000 2.507 464 K HA 0.414 4.735 4.320 0.001 0.000 0.251 464 K C 0.146 176.787 176.600 0.068 0.000 0.943 464 K CA -0.913 55.407 56.287 0.054 0.000 0.794 464 K CB 1.212 33.749 32.500 0.063 0.000 1.188 464 K HN 0.148 nan 8.250 nan 0.000 0.428 465 K N 3.190 123.622 120.400 0.054 0.000 2.448 465 K HA 0.047 4.367 4.320 0.001 0.000 0.278 465 K C 0.077 176.716 176.600 0.065 0.000 1.009 465 K CA -0.300 56.020 56.287 0.056 0.000 0.995 465 K CB 0.631 33.156 32.500 0.043 0.000 0.917 465 K HN 0.320 nan 8.250 nan 0.000 0.481 466 V N 0.000 119.956 119.914 0.069 0.000 2.409 466 V HA 0.000 4.120 4.120 0.001 0.000 0.244 466 V CA 0.000 62.343 62.300 0.072 0.000 1.235 466 V CB 0.000 31.870 31.823 0.079 0.000 1.184 466 V HN 0.000 nan 8.190 nan 0.000 0.556