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 3h3o_1_O DATA FIRST_RESID 3 DATA SEQUENCE EKNYVMAIDQ GTTSSRAIIF DRNGKKIGSS QKEFPQYFPK SGWVEHNANE DATA SEQUENCE IWNSVQSVIA GAFIESGIRP EAIAGIGITN QRETTVVWDK TTGQPIANAI DATA SEQUENCE VWQSRQSSPI ADQLKVDGHT EMIHEKTGLV IDAYFSATKV RWLLDNIEGA DATA SEQUENCE QEKADNGELL FGTIDSWLVW KLTDGQVHVT DYSNASRTML YNIHKLEWDQ DATA SEQUENCE EILDLLNIPS SMLPEVKSNS EVYGHTRSYR FYGSEVPIAG MAGDQQAALF DATA SEQUENCE GQMAFEKGMI KNTYGTGAFI VMNTGEEPQL SDNDLLTTIG YGINGKVYYA DATA SEQUENCE LEGSIFVAGS AIQWLRDGLR MIETSPQSEE LAAKAKGDNE VYVVPAFTGL DATA SEQUENCE GAPYWDSEAR GAVFGLTRGT TKEDFVRATL QAVAYQSKDV IDTMKKDSGI DATA SEQUENCE DIPLLKVDGG AAKNDLLMQF QADILDIDVQ RAANLETTAL GAAYLAGLAV DATA SEQUENCE GFWKDLDELK SMAEEGQMFT PEMPAEERDN LYEGWKQAVA ATQTFKFK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.627 176.600 0.045 0.000 1.382 3 E CA 0.000 56.417 56.400 0.028 0.000 0.976 3 E CB 0.000 29.719 29.700 0.032 0.000 0.812 4 K N 0.793 121.218 120.400 0.042 0.000 2.057 4 K HA 0.153 4.472 4.320 -0.001 0.000 0.197 4 K C 0.559 177.153 176.600 -0.009 0.000 1.055 4 K CA 0.819 57.149 56.287 0.072 0.000 1.028 4 K CB -0.099 32.464 32.500 0.105 0.000 1.289 4 K HN 0.460 nan 8.250 nan 0.000 0.462 5 N N -2.131 116.591 118.700 0.036 0.000 2.997 5 N HA -0.172 4.568 4.740 -0.001 0.000 0.214 5 N C -0.999 174.313 175.510 -0.331 0.000 0.904 5 N CA 0.989 53.909 53.050 -0.216 0.000 1.021 5 N CB -0.992 37.128 38.487 -0.612 0.000 1.040 5 N HN 0.292 nan 8.380 nan 0.000 0.573 6 Y N -0.312 120.121 120.300 0.222 0.000 2.562 6 Y HA 0.639 5.188 4.550 -0.002 0.000 0.345 6 Y C 0.066 175.736 175.900 -0.383 0.000 1.045 6 Y CA -1.134 56.959 58.100 -0.011 0.000 1.028 6 Y CB 1.777 40.285 38.460 0.080 0.000 1.297 6 Y HN -0.060 nan 8.280 nan 0.000 0.463 7 V N 0.195 119.974 119.914 -0.224 0.000 2.789 7 V HA 0.702 4.821 4.120 -0.001 0.000 0.311 7 V C -0.756 175.352 176.094 0.023 0.000 1.073 7 V CA -1.051 61.104 62.300 -0.243 0.000 0.921 7 V CB 1.958 33.514 31.823 -0.445 0.000 1.009 7 V HN 0.898 nan 8.190 nan 0.000 0.426 8 M N 3.961 123.574 119.600 0.023 0.000 2.363 8 M HA 0.883 5.363 4.480 -0.001 0.000 0.343 8 M C -0.322 176.018 176.300 0.067 0.000 1.165 8 M CA -0.464 54.852 55.300 0.026 0.000 1.046 8 M CB 1.728 34.333 32.600 0.009 0.000 1.648 8 M HN 1.159 nan 8.290 nan 0.000 0.452 9 A N 6.015 128.882 122.820 0.078 0.000 2.335 9 A HA 0.715 5.034 4.320 -0.001 0.000 0.304 9 A C -1.235 176.380 177.584 0.052 0.000 1.118 9 A CA -0.702 51.400 52.037 0.108 0.000 0.757 9 A CB 0.695 19.830 19.000 0.226 0.000 1.188 9 A HN 0.889 nan 8.150 nan 0.000 0.460 10 I N 2.126 122.728 120.570 0.053 0.000 2.339 10 I HA 0.301 4.470 4.170 -0.001 0.000 0.290 10 I C -0.814 175.340 176.117 0.061 0.000 0.994 10 I CA -0.390 60.938 61.300 0.046 0.000 1.191 10 I CB 1.853 39.889 38.000 0.062 0.000 1.343 10 I HN 0.608 nan 8.210 nan 0.000 0.458 11 D N 6.250 126.687 120.400 0.062 0.000 2.461 11 D HA 0.081 4.721 4.640 -0.001 0.000 0.240 11 D C -0.494 175.865 176.300 0.099 0.000 1.094 11 D CA -0.403 53.645 54.000 0.079 0.000 0.868 11 D CB 1.042 41.891 40.800 0.081 0.000 1.062 11 D HN 0.243 nan 8.370 nan 0.000 0.530 12 Q N 3.173 123.039 119.800 0.109 0.000 2.441 12 Q HA 0.419 4.758 4.340 -0.001 0.000 0.234 12 Q C 0.003 176.120 176.000 0.195 0.000 1.078 12 Q CA -0.457 55.425 55.803 0.131 0.000 0.907 12 Q CB 0.770 29.573 28.738 0.107 0.000 1.269 12 Q HN 0.644 nan 8.270 nan 0.000 0.502 13 G N 1.857 110.812 108.800 0.260 0.000 2.525 13 G HA2 0.217 4.176 3.960 -0.001 0.000 0.287 13 G HA3 0.217 4.176 3.960 -0.001 0.000 0.287 13 G C 0.715 175.904 174.900 0.481 0.000 1.350 13 G CA -0.082 45.209 45.100 0.318 0.000 1.039 13 G HN 0.544 nan 8.290 nan 0.000 0.513 14 T N -0.233 114.608 114.554 0.478 0.000 2.737 14 T HA -0.120 4.229 4.350 -0.001 0.000 0.265 14 T C 2.434 177.322 174.700 0.312 0.000 1.038 14 T CA 2.230 64.674 62.100 0.573 0.000 1.144 14 T CB -0.340 68.910 68.868 0.636 0.000 0.866 14 T HN 0.691 nan 8.240 nan 0.000 0.434 15 T N -1.084 113.512 114.554 0.070 0.000 3.010 15 T HA 0.405 4.754 4.350 -0.001 0.000 0.257 15 T C 0.580 174.968 174.700 -0.521 0.000 1.020 15 T CA 0.092 61.974 62.100 -0.364 0.000 0.938 15 T CB 0.153 68.939 68.868 -0.138 0.000 1.049 15 T HN 0.440 nan 8.240 nan 0.000 0.522 16 S N -0.258 115.450 115.700 0.013 0.000 2.636 16 S HA 0.727 5.196 4.470 -0.001 0.000 0.268 16 S C -1.378 173.459 174.600 0.395 0.000 1.159 16 S CA -0.822 57.512 58.200 0.223 0.000 0.815 16 S CB 1.685 64.933 63.200 0.081 0.000 1.130 16 S HN 0.149 nan 8.310 nan 0.000 0.471 17 S N 0.671 116.538 115.700 0.278 0.000 2.568 17 S HA 0.866 5.335 4.470 -0.001 0.000 0.293 17 S C -0.981 173.670 174.600 0.085 0.000 1.089 17 S CA -1.093 57.205 58.200 0.164 0.000 0.945 17 S CB 1.346 64.604 63.200 0.097 0.000 1.077 17 S HN 0.846 nan 8.310 nan 0.000 0.485 18 R N 0.158 120.691 120.500 0.054 0.000 2.651 18 R HA 0.852 5.191 4.340 -0.001 0.000 0.278 18 R C -1.555 174.732 176.300 -0.021 0.000 1.010 18 R CA -1.087 55.018 56.100 0.009 0.000 0.896 18 R CB 1.614 31.924 30.300 0.017 0.000 1.211 18 R HN 0.587 nan 8.270 nan 0.000 0.456 19 A N 3.526 126.299 122.820 -0.078 0.000 2.365 19 A HA 0.805 5.125 4.320 -0.001 0.000 0.318 19 A C -0.716 176.755 177.584 -0.188 0.000 1.091 19 A CA -0.947 51.017 52.037 -0.122 0.000 0.763 19 A CB 1.248 20.143 19.000 -0.175 0.000 1.248 19 A HN 0.705 nan 8.150 nan 0.000 0.442 20 I N 2.093 122.532 120.570 -0.219 0.000 2.619 20 I HA 0.379 4.548 4.170 -0.001 0.000 0.292 20 I C -1.026 174.835 176.117 -0.426 0.000 1.100 20 I CA -0.357 60.712 61.300 -0.384 0.000 1.043 20 I CB 2.211 39.906 38.000 -0.508 0.000 1.239 20 I HN 0.513 nan 8.210 nan 0.000 0.420 21 I N 5.195 125.480 120.570 -0.476 0.000 2.354 21 I HA 0.411 4.580 4.170 -0.001 0.000 0.292 21 I C -0.939 174.992 176.117 -0.309 0.000 0.989 21 I CA -0.330 60.780 61.300 -0.316 0.000 1.188 21 I CB 1.169 38.972 38.000 -0.327 0.000 1.342 21 I HN 0.295 nan 8.210 nan 0.000 0.457 22 F N 3.621 123.634 119.950 0.104 0.000 2.556 22 F HA 0.398 4.924 4.527 -0.002 0.000 0.327 22 F C 0.184 176.229 175.800 0.408 0.000 1.059 22 F CA -0.649 57.490 58.000 0.232 0.000 0.953 22 F CB 1.428 40.594 39.000 0.276 0.000 1.227 22 F HN 0.470 nan 8.300 nan 0.000 0.478 23 D N -0.566 120.258 120.400 0.706 0.000 2.506 23 D HA 0.342 4.981 4.640 -0.001 0.000 0.254 23 D C 0.937 177.613 176.300 0.626 0.000 1.089 23 D CA -0.722 53.661 54.000 0.638 0.000 1.050 23 D CB 0.668 41.770 40.800 0.505 0.000 1.221 23 D HN 0.302 nan 8.370 nan 0.000 0.589 24 R N -0.537 120.155 120.500 0.319 0.000 2.154 24 R HA -0.104 4.235 4.340 -0.001 0.000 0.248 24 R C 0.929 177.472 176.300 0.405 0.000 1.155 24 R CA 1.556 57.678 56.100 0.037 0.000 0.979 24 R CB -0.446 29.698 30.300 -0.260 0.000 0.869 24 R HN 0.433 nan 8.270 nan 0.000 0.452 25 N N -0.770 118.136 118.700 0.343 0.000 2.398 25 N HA 0.064 4.804 4.740 -0.001 0.000 0.188 25 N C 0.420 176.129 175.510 0.331 0.000 1.122 25 N CA 1.007 54.235 53.050 0.297 0.000 0.866 25 N CB 0.899 39.503 38.487 0.195 0.000 0.970 25 N HN 0.442 nan 8.380 nan 0.000 0.462 26 G N 1.540 110.632 108.800 0.488 0.000 2.147 26 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.244 26 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.244 26 G C 0.069 175.220 174.900 0.419 0.000 1.005 26 G CA 0.154 45.470 45.100 0.360 0.000 0.713 26 G HN 0.409 nan 8.290 nan 0.000 0.515 27 K N 0.728 121.409 120.400 0.469 0.000 2.258 27 K HA 0.386 4.705 4.320 -0.001 0.000 0.284 27 K C 0.756 177.610 176.600 0.424 0.000 1.051 27 K CA -0.721 55.800 56.287 0.391 0.000 0.923 27 K CB 0.411 33.069 32.500 0.264 0.000 1.046 27 K HN 0.183 nan 8.250 nan 0.000 0.474 28 K N 6.025 126.597 120.400 0.285 0.000 2.419 28 K HA -0.002 4.317 4.320 -0.001 0.000 0.282 28 K C 0.542 177.115 176.600 -0.044 0.000 1.056 28 K CA -0.200 56.049 56.287 -0.063 0.000 1.035 28 K CB 0.403 32.862 32.500 -0.070 0.000 0.921 28 K HN 0.588 nan 8.250 nan 0.000 0.472 29 I N 2.813 123.315 120.570 -0.114 0.000 3.265 29 I HA 0.158 4.327 4.170 -0.001 0.000 0.282 29 I C 1.090 177.118 176.117 -0.149 0.000 1.207 29 I CA 0.550 61.796 61.300 -0.089 0.000 1.449 29 I CB -0.116 37.812 38.000 -0.120 0.000 1.121 29 I HN 0.789 nan 8.210 nan 0.000 0.442 30 G N 0.231 108.899 108.800 -0.221 0.000 2.667 30 G HA2 0.541 4.500 3.960 -0.001 0.000 0.294 30 G HA3 0.541 4.500 3.960 -0.001 0.000 0.294 30 G C -1.196 173.551 174.900 -0.255 0.000 1.467 30 G CA 0.013 44.987 45.100 -0.209 0.000 0.852 30 G HN 0.163 nan 8.290 nan 0.000 0.521 31 S N -1.305 114.276 115.700 -0.200 0.000 2.615 31 S HA 0.895 5.364 4.470 -0.001 0.000 0.269 31 S C -0.964 173.550 174.600 -0.143 0.000 1.161 31 S CA -0.380 57.705 58.200 -0.192 0.000 0.817 31 S CB 1.847 64.947 63.200 -0.166 0.000 1.131 31 S HN 1.944 nan 8.310 nan 0.000 0.467 32 S N 0.023 115.649 115.700 -0.123 0.000 2.563 32 S HA 0.520 4.989 4.470 -0.001 0.000 0.279 32 S C -1.909 172.656 174.600 -0.059 0.000 1.155 32 S CA -0.428 57.718 58.200 -0.089 0.000 0.928 32 S CB 1.619 64.754 63.200 -0.108 0.000 1.107 32 S HN 0.935 nan 8.310 nan 0.000 0.462 33 Q N 2.834 122.616 119.800 -0.030 0.000 2.365 33 Q HA 0.698 5.038 4.340 -0.001 0.000 0.269 33 Q C -1.577 174.430 176.000 0.011 0.000 1.061 33 Q CA -0.693 55.110 55.803 -0.000 0.000 0.816 33 Q CB 1.569 30.313 28.738 0.010 0.000 1.325 33 Q HN 0.655 nan 8.270 nan 0.000 0.446 34 K N 2.448 122.873 120.400 0.041 0.000 2.543 34 K HA 0.284 4.603 4.320 -0.001 0.000 0.255 34 K C -1.335 175.327 176.600 0.104 0.000 0.934 34 K CA -0.459 55.859 56.287 0.052 0.000 0.810 34 K CB 1.708 34.231 32.500 0.038 0.000 1.315 34 K HN 0.688 nan 8.250 nan 0.000 0.433 35 E N 3.037 123.270 120.200 0.054 0.000 2.318 35 E HA 0.332 4.681 4.350 -0.001 0.000 0.265 35 E C -0.582 176.058 176.600 0.067 0.000 1.069 35 E CA -0.602 55.793 56.400 -0.008 0.000 0.893 35 E CB 0.754 30.400 29.700 -0.089 0.000 1.076 35 E HN 0.384 nan 8.360 nan 0.000 0.414 36 F N -1.880 118.024 119.950 -0.077 0.000 2.603 36 F HA 0.596 5.123 4.527 -0.000 0.000 0.317 36 F C -2.808 172.889 175.800 -0.172 0.000 1.066 36 F CA -3.384 54.554 58.000 -0.104 0.000 0.941 36 F CB 0.028 38.963 39.000 -0.108 0.000 1.291 36 F HN 0.136 nan 8.300 nan 0.000 0.472 37 P HA 0.121 nan 4.420 nan 0.000 0.266 37 P C -1.190 175.783 177.300 -0.544 0.000 1.195 37 P CA -0.034 62.859 63.100 -0.346 0.000 0.768 37 P CB 0.516 32.014 31.700 -0.337 0.000 0.838 38 Q N 1.931 121.342 119.800 -0.648 0.000 2.333 38 Q HA 0.399 4.738 4.340 -0.001 0.000 0.267 38 Q C -1.012 174.382 176.000 -1.010 0.000 1.012 38 Q CA -0.423 55.015 55.803 -0.609 0.000 0.824 38 Q CB 1.597 30.106 28.738 -0.383 0.000 1.290 38 Q HN 0.443 nan 8.270 nan 0.000 0.449 39 Y N 1.296 121.254 120.300 -0.571 0.000 2.364 39 Y HA 0.461 5.010 4.550 -0.002 0.000 0.340 39 Y C -0.377 175.090 175.900 -0.721 0.000 0.975 39 Y CA -0.978 56.821 58.100 -0.502 0.000 1.089 39 Y CB 1.160 39.526 38.460 -0.157 0.000 1.192 39 Y HN 0.405 nan 8.280 nan 0.000 0.454 40 F N 3.772 123.825 119.950 0.171 0.000 2.550 40 F HA 0.414 4.940 4.527 -0.001 0.000 0.348 40 F C -1.819 174.004 175.800 0.038 0.000 1.219 40 F CA -2.140 55.913 58.000 0.089 0.000 1.203 40 F CB 0.628 39.640 39.000 0.020 0.000 1.436 40 F HN 0.376 nan 8.300 nan 0.000 0.541 41 P HA -0.138 nan 4.420 nan 0.000 0.214 41 P C -0.173 176.976 177.300 -0.252 0.000 1.169 41 P CA 1.661 64.735 63.100 -0.044 0.000 0.908 41 P CB 0.303 31.996 31.700 -0.013 0.000 0.791 42 K N -1.537 118.545 120.400 -0.530 0.000 2.395 42 K HA 0.443 4.762 4.320 -0.001 0.000 0.247 42 K C -0.258 176.137 176.600 -0.342 0.000 0.973 42 K CA -0.803 55.106 56.287 -0.629 0.000 0.828 42 K CB 1.835 33.609 32.500 -1.210 0.000 1.272 42 K HN -0.247 nan 8.250 nan 0.000 0.439 43 S N -0.037 115.546 115.700 -0.195 0.000 2.558 43 S HA 0.191 4.660 4.470 -0.001 0.000 0.291 43 S C 1.235 175.870 174.600 0.059 0.000 1.306 43 S CA 1.715 59.875 58.200 -0.067 0.000 1.056 43 S CB -0.195 62.961 63.200 -0.074 0.000 0.836 43 S HN 0.852 nan 8.310 nan 0.000 0.504 44 G N 3.406 112.254 108.800 0.080 0.000 2.267 44 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.257 44 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.257 44 G C -0.112 174.946 174.900 0.263 0.000 0.998 44 G CA 0.378 45.560 45.100 0.136 0.000 0.620 44 G HN 0.610 nan 8.290 nan 0.000 0.529 45 W N -0.006 121.275 121.300 -0.032 0.000 2.313 45 W HA 0.674 5.333 4.660 -0.002 0.000 0.328 45 W C 0.097 176.619 176.519 0.006 0.000 1.197 45 W CA -0.909 56.397 57.345 -0.064 0.000 1.235 45 W CB 1.422 30.839 29.460 -0.071 0.000 1.158 45 W HN 0.259 nan 8.180 nan 0.000 0.578 46 V N 2.628 122.597 119.914 0.091 0.000 2.655 46 V HA 0.351 4.470 4.120 -0.001 0.000 0.301 46 V C -0.508 175.471 176.094 -0.192 0.000 1.082 46 V CA -1.231 61.031 62.300 -0.062 0.000 0.899 46 V CB 1.507 33.257 31.823 -0.122 0.000 1.014 46 V HN 0.522 nan 8.190 nan 0.000 0.429 47 E N 2.487 122.589 120.200 -0.163 0.000 2.369 47 E HA 0.674 5.023 4.350 -0.001 0.000 0.270 47 E C -1.443 175.230 176.600 0.122 0.000 0.909 47 E CA -0.982 55.371 56.400 -0.078 0.000 0.775 47 E CB 3.091 32.820 29.700 0.048 0.000 1.270 47 E HN 0.795 nan 8.360 nan 0.000 0.445 48 H N 0.192 119.352 119.070 0.151 0.000 2.821 48 H HA 0.276 4.831 4.556 -0.002 0.000 0.373 48 H C -0.756 174.696 175.328 0.207 0.000 1.165 48 H CA -1.115 55.075 56.048 0.237 0.000 1.154 48 H CB 1.911 31.802 29.762 0.214 0.000 1.765 48 H HN 0.261 nan 8.280 nan 0.000 0.549 49 N N 1.438 120.380 118.700 0.403 0.000 2.439 49 N HA 0.097 4.837 4.740 -0.001 0.000 0.249 49 N C 0.569 176.160 175.510 0.135 0.000 1.003 49 N CA -0.028 53.156 53.050 0.223 0.000 0.942 49 N CB 1.498 40.142 38.487 0.262 0.000 1.115 49 N HN 0.786 nan 8.380 nan 0.000 0.505 50 A N 4.479 127.297 122.820 -0.004 0.000 2.024 50 A HA -0.188 4.131 4.320 -0.001 0.000 0.220 50 A C 1.794 179.537 177.584 0.265 0.000 1.164 50 A CA 1.181 53.156 52.037 -0.104 0.000 0.643 50 A CB -0.231 18.312 19.000 -0.760 0.000 0.806 50 A HN 0.750 nan 8.150 nan 0.000 0.451 51 N N 0.073 118.936 118.700 0.272 0.000 2.188 51 N HA -0.117 4.622 4.740 -0.001 0.000 0.184 51 N C 1.570 177.268 175.510 0.313 0.000 1.018 51 N CA 1.506 54.796 53.050 0.400 0.000 0.858 51 N CB -0.368 38.295 38.487 0.293 0.000 0.989 51 N HN 0.679 nan 8.380 nan 0.000 0.426 52 E N 0.532 120.854 120.200 0.204 0.000 2.208 52 E HA -0.017 4.333 4.350 -0.001 0.000 0.193 52 E C 1.923 178.540 176.600 0.029 0.000 0.988 52 E CA 0.344 56.827 56.400 0.138 0.000 0.828 52 E CB 0.070 29.877 29.700 0.177 0.000 0.763 52 E HN 0.362 nan 8.360 nan 0.000 0.478 53 I N 0.835 121.382 120.570 -0.038 0.000 2.252 53 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 53 I C 2.385 178.517 176.117 0.026 0.000 1.102 53 I CA 0.989 62.110 61.300 -0.299 0.000 1.385 53 I CB -0.275 37.566 38.000 -0.265 0.000 1.064 53 I HN 0.379 nan 8.210 nan 0.000 0.414 54 W N 2.361 123.695 121.300 0.057 0.000 2.335 54 W HA -0.283 4.376 4.660 -0.002 0.000 0.311 54 W C 2.125 178.642 176.519 -0.004 0.000 1.213 54 W CA 1.415 58.777 57.345 0.029 0.000 1.274 54 W CB -0.254 29.236 29.460 0.049 0.000 1.148 54 W HN 0.171 nan 8.180 nan 0.000 0.498 55 N N 0.727 119.335 118.700 -0.152 0.000 2.205 55 N HA -0.201 4.538 4.740 -0.001 0.000 0.186 55 N C 1.964 177.340 175.510 -0.223 0.000 1.015 55 N CA 2.339 55.221 53.050 -0.279 0.000 0.862 55 N CB -0.959 37.480 38.487 -0.080 0.000 0.986 55 N HN 0.249 nan 8.380 nan 0.000 0.429 56 S N -0.509 115.114 115.700 -0.127 0.000 2.402 56 S HA -0.023 4.446 4.470 -0.001 0.000 0.229 56 S C 2.027 176.560 174.600 -0.113 0.000 1.021 56 S CA 0.716 58.873 58.200 -0.071 0.000 0.974 56 S CB -0.551 62.650 63.200 0.001 0.000 0.800 56 S HN 0.041 nan 8.310 nan 0.000 0.484 57 V N 2.098 121.909 119.914 -0.171 0.000 2.453 57 V HA -0.125 3.994 4.120 -0.001 0.000 0.247 57 V C 2.852 178.781 176.094 -0.274 0.000 1.048 57 V CA 1.817 64.023 62.300 -0.157 0.000 1.049 57 V CB -0.856 30.939 31.823 -0.046 0.000 0.672 57 V HN 0.541 nan 8.190 nan 0.000 0.457 58 Q N -0.189 119.304 119.800 -0.512 0.000 2.079 58 Q HA -0.154 4.185 4.340 -0.001 0.000 0.200 58 Q C 2.504 178.361 176.000 -0.238 0.000 0.974 58 Q CA 1.835 57.359 55.803 -0.465 0.000 0.840 58 Q CB -0.279 28.085 28.738 -0.623 0.000 0.898 58 Q HN 0.585 nan 8.270 nan 0.000 0.430 59 S N 0.983 116.563 115.700 -0.200 0.000 2.353 59 S HA -0.154 4.315 4.470 -0.001 0.000 0.222 59 S C 2.256 176.792 174.600 -0.108 0.000 1.035 59 S CA 1.719 59.850 58.200 -0.115 0.000 1.025 59 S CB -0.486 62.666 63.200 -0.080 0.000 0.902 59 S HN 0.466 nan 8.310 nan 0.000 0.440 60 V N 0.100 119.948 119.914 -0.110 0.000 2.809 60 V HA 0.021 4.140 4.120 -0.001 0.000 0.256 60 V C 1.794 177.780 176.094 -0.179 0.000 1.080 60 V CA 1.186 63.417 62.300 -0.115 0.000 1.102 60 V CB -0.932 30.844 31.823 -0.078 0.000 0.705 60 V HN 0.422 nan 8.190 nan 0.000 0.475 61 I N 1.001 121.455 120.570 -0.193 0.000 2.286 61 I HA -0.084 4.085 4.170 -0.001 0.000 0.245 61 I C 2.900 178.780 176.117 -0.395 0.000 1.104 61 I CA 1.462 62.593 61.300 -0.282 0.000 1.397 61 I CB -0.520 37.380 38.000 -0.168 0.000 1.072 61 I HN 0.373 nan 8.210 nan 0.000 0.417 62 A N 0.823 123.489 122.820 -0.257 0.000 1.873 62 A HA -0.105 4.215 4.320 -0.001 0.000 0.215 62 A C 2.403 179.870 177.584 -0.195 0.000 1.186 62 A CA 1.747 53.633 52.037 -0.251 0.000 0.616 62 A CB -1.449 17.602 19.000 0.086 0.000 0.823 62 A HN 0.441 nan 8.150 nan 0.000 0.442 63 G N -0.776 107.942 108.800 -0.138 0.000 2.479 63 G HA2 0.042 4.001 3.960 -0.001 0.000 0.220 63 G HA3 0.042 4.001 3.960 -0.001 0.000 0.220 63 G C 1.521 176.323 174.900 -0.164 0.000 1.115 63 G CA 1.361 46.395 45.100 -0.110 0.000 0.757 63 G HN 0.779 nan 8.290 nan 0.000 0.560 64 A N 0.124 122.777 122.820 -0.278 0.000 1.935 64 A HA 0.330 4.649 4.320 -0.001 0.000 0.214 64 A C 2.033 179.399 177.584 -0.364 0.000 1.178 64 A CA 0.739 52.568 52.037 -0.346 0.000 0.640 64 A CB -0.319 18.406 19.000 -0.459 0.000 0.825 64 A HN 0.219 nan 8.150 nan 0.000 0.447 65 F N 0.477 120.212 119.950 -0.359 0.000 2.113 65 F HA -0.085 4.442 4.527 -0.001 0.000 0.297 65 F C 2.165 177.843 175.800 -0.202 0.000 1.103 65 F CA 1.099 58.889 58.000 -0.351 0.000 1.248 65 F CB -0.561 38.053 39.000 -0.644 0.000 0.999 65 F HN 0.107 nan 8.300 nan 0.000 0.475 66 I N 0.044 120.634 120.570 0.034 0.000 2.163 66 I HA -0.324 3.845 4.170 -0.001 0.000 0.243 66 I C 2.413 178.526 176.117 -0.006 0.000 1.085 66 I CA 2.029 63.352 61.300 0.039 0.000 1.347 66 I CB -0.622 37.399 38.000 0.036 0.000 1.044 66 I HN 0.192 nan 8.210 nan 0.000 0.408 67 E N 1.018 121.189 120.200 -0.049 0.000 2.338 67 E HA -0.190 4.159 4.350 -0.001 0.000 0.197 67 E C 2.007 178.569 176.600 -0.063 0.000 1.007 67 E CA 1.438 57.803 56.400 -0.057 0.000 0.849 67 E CB 0.086 29.738 29.700 -0.080 0.000 0.774 67 E HN 0.558 nan 8.360 nan 0.000 0.506 68 S N -1.530 114.124 115.700 -0.077 0.000 2.497 68 S HA 0.269 4.739 4.470 -0.001 0.000 0.221 68 S C 1.800 176.365 174.600 -0.057 0.000 1.037 68 S CA 0.352 58.495 58.200 -0.095 0.000 0.920 68 S CB 0.422 63.519 63.200 -0.172 0.000 0.800 68 S HN 0.518 nan 8.310 nan 0.000 0.505 69 G N 0.935 109.729 108.800 -0.010 0.000 2.179 69 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.260 69 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.260 69 G C -0.034 174.875 174.900 0.015 0.000 0.977 69 G CA 0.290 45.397 45.100 0.010 0.000 0.641 69 G HN 0.521 nan 8.290 nan 0.000 0.533 70 I N 1.042 121.608 120.570 -0.007 0.000 2.634 70 I HA 0.336 4.505 4.170 -0.001 0.000 0.284 70 I C 1.228 177.399 176.117 0.091 0.000 1.124 70 I CA -0.113 61.184 61.300 -0.006 0.000 1.417 70 I CB 0.735 38.615 38.000 -0.199 0.000 1.396 70 I HN 0.160 nan 8.210 nan 0.000 0.571 71 R N 7.343 127.884 120.500 0.068 0.000 2.404 71 R HA 0.296 4.635 4.340 -0.001 0.000 0.291 71 R C -1.461 174.810 176.300 -0.049 0.000 1.025 71 R CA -1.509 54.576 56.100 -0.025 0.000 0.991 71 R CB 1.040 31.343 30.300 0.005 0.000 1.053 71 R HN 0.370 nan 8.270 nan 0.000 0.479 72 P HA -0.206 nan 4.420 nan 0.000 0.218 72 P C 0.286 177.658 177.300 0.120 0.000 1.146 72 P CA 1.393 64.348 63.100 -0.241 0.000 0.813 72 P CB 0.185 31.590 31.700 -0.491 0.000 0.778 73 E N 0.009 120.249 120.200 0.066 0.000 2.516 73 E HA 0.014 4.363 4.350 -0.001 0.000 0.199 73 E C 1.394 178.073 176.600 0.132 0.000 1.069 73 E CA 0.637 57.096 56.400 0.099 0.000 0.876 73 E CB -0.638 29.094 29.700 0.054 0.000 0.843 73 E HN 0.214 nan 8.360 nan 0.000 0.530 74 A N 1.220 124.150 122.820 0.183 0.000 2.379 74 A HA 0.230 4.549 4.320 -0.001 0.000 0.236 74 A C 0.632 178.387 177.584 0.285 0.000 1.272 74 A CA -0.353 51.826 52.037 0.236 0.000 0.886 74 A CB 0.060 19.256 19.000 0.326 0.000 0.962 74 A HN 0.054 nan 8.150 nan 0.000 0.504 75 I N 0.686 121.415 120.570 0.264 0.000 2.312 75 I HA 0.249 4.418 4.170 -0.001 0.000 0.291 75 I C 1.413 177.587 176.117 0.095 0.000 1.031 75 I CA -0.029 61.408 61.300 0.229 0.000 1.293 75 I CB 0.653 38.867 38.000 0.357 0.000 1.403 75 I HN 0.226 nan 8.210 nan 0.000 0.484 76 A N 5.351 128.161 122.820 -0.016 0.000 1.970 76 A HA 0.405 4.724 4.320 -0.001 0.000 0.216 76 A C 1.073 178.601 177.584 -0.093 0.000 1.170 76 A CA 1.102 53.103 52.037 -0.060 0.000 0.645 76 A CB -0.072 18.856 19.000 -0.120 0.000 0.816 76 A HN 0.813 nan 8.150 nan 0.000 0.447 77 G N -1.886 106.828 108.800 -0.145 0.000 2.576 77 G HA2 0.516 4.475 3.960 -0.001 0.000 0.290 77 G HA3 0.516 4.475 3.960 -0.001 0.000 0.290 77 G C -1.469 173.365 174.900 -0.110 0.000 1.442 77 G CA -0.633 44.391 45.100 -0.126 0.000 0.792 77 G HN 0.134 nan 8.290 nan 0.000 0.491 78 I N 0.492 120.996 120.570 -0.109 0.000 2.465 78 I HA 0.611 4.780 4.170 -0.001 0.000 0.291 78 I C 0.499 176.608 176.117 -0.013 0.000 1.014 78 I CA -0.816 60.438 61.300 -0.077 0.000 1.093 78 I CB 2.406 40.306 38.000 -0.167 0.000 1.267 78 I HN 0.653 nan 8.210 nan 0.000 0.431 79 G N 6.605 115.424 108.800 0.032 0.000 2.452 79 G HA2 0.810 4.770 3.960 -0.001 0.000 0.324 79 G HA3 0.810 4.770 3.960 -0.001 0.000 0.324 79 G C -1.014 173.922 174.900 0.059 0.000 1.214 79 G CA -0.425 44.712 45.100 0.061 0.000 0.947 79 G HN 0.465 nan 8.290 nan 0.000 0.478 80 I N 1.546 122.152 120.570 0.059 0.000 2.498 80 I HA 0.483 4.652 4.170 -0.001 0.000 0.290 80 I C 0.017 176.158 176.117 0.039 0.000 1.032 80 I CA -0.697 60.633 61.300 0.049 0.000 1.073 80 I CB 2.723 40.745 38.000 0.037 0.000 1.251 80 I HN 0.616 nan 8.210 nan 0.000 0.426 81 T N 2.111 116.694 114.554 0.047 0.000 2.906 81 T HA 0.694 5.043 4.350 -0.001 0.000 0.295 81 T C -0.941 173.794 174.700 0.058 0.000 1.061 81 T CA -0.856 61.268 62.100 0.041 0.000 1.000 81 T CB 2.289 71.181 68.868 0.039 0.000 1.103 81 T HN 0.686 nan 8.240 nan 0.000 0.486 82 N N 0.248 118.979 118.700 0.052 0.000 2.825 82 N HA 0.212 4.951 4.740 -0.001 0.000 0.253 82 N C -1.281 174.269 175.510 0.066 0.000 1.426 82 N CA -0.970 52.129 53.050 0.082 0.000 0.851 82 N CB 1.471 40.013 38.487 0.091 0.000 1.470 82 N HN 0.935 nan 8.380 nan 0.000 0.517 83 Q N -0.026 119.853 119.800 0.131 0.000 2.300 83 Q HA 0.233 4.572 4.340 -0.001 0.000 0.280 83 Q C 0.290 176.334 176.000 0.073 0.000 1.033 83 Q CA -0.008 55.868 55.803 0.122 0.000 0.903 83 Q CB 1.261 30.227 28.738 0.380 0.000 1.195 83 Q HN 0.498 nan 8.270 nan 0.000 0.386 84 R N 1.815 122.269 120.500 -0.075 0.000 2.193 84 R HA -0.087 4.252 4.340 -0.001 0.000 0.213 84 R C 0.587 176.913 176.300 0.043 0.000 1.055 84 R CA 1.164 57.239 56.100 -0.041 0.000 0.995 84 R CB 0.296 30.516 30.300 -0.134 0.000 0.893 84 R HN 0.685 nan 8.270 nan 0.000 0.459 85 E N -0.882 119.386 120.200 0.112 0.000 2.485 85 E HA 0.081 4.430 4.350 -0.001 0.000 0.213 85 E C -0.266 176.468 176.600 0.224 0.000 0.923 85 E CA 0.110 56.601 56.400 0.152 0.000 1.054 85 E CB 0.755 30.481 29.700 0.044 0.000 1.077 85 E HN -0.021 nan 8.360 nan 0.000 0.509 86 T N 2.012 116.731 114.554 0.275 0.000 2.819 86 T HA 0.026 4.376 4.350 -0.001 0.000 0.282 86 T C 0.039 174.844 174.700 0.175 0.000 1.013 86 T CA 0.723 62.954 62.100 0.218 0.000 1.159 86 T CB 0.275 69.300 68.868 0.263 0.000 1.007 86 T HN -0.033 nan 8.240 nan 0.000 0.514 87 T N 3.312 117.953 114.554 0.145 0.000 2.823 87 T HA 0.611 4.960 4.350 -0.001 0.000 0.279 87 T C -0.562 174.200 174.700 0.104 0.000 0.998 87 T CA -0.668 61.549 62.100 0.196 0.000 0.994 87 T CB 1.772 70.804 68.868 0.274 0.000 0.960 87 T HN 0.504 nan 8.240 nan 0.000 0.448 88 V N 3.460 123.431 119.914 0.094 0.000 2.760 88 V HA 0.804 4.923 4.120 -0.001 0.000 0.309 88 V C -1.461 174.717 176.094 0.141 0.000 1.077 88 V CA -0.509 61.796 62.300 0.009 0.000 0.910 88 V CB 1.964 33.619 31.823 -0.281 0.000 1.008 88 V HN 0.723 nan 8.190 nan 0.000 0.424 89 V N 6.898 126.871 119.914 0.098 0.000 2.656 89 V HA 0.747 4.866 4.120 -0.001 0.000 0.307 89 V C -0.698 175.442 176.094 0.076 0.000 1.051 89 V CA -0.353 61.957 62.300 0.017 0.000 0.893 89 V CB 1.637 33.456 31.823 -0.007 0.000 0.999 89 V HN 1.128 nan 8.190 nan 0.000 0.426 90 W N 2.086 123.259 121.300 -0.212 0.000 3.047 90 W HA 0.748 5.406 4.660 -0.003 0.000 0.341 90 W C -1.131 175.288 176.519 -0.167 0.000 1.225 90 W CA -0.987 56.243 57.345 -0.191 0.000 1.150 90 W CB 0.855 30.194 29.460 -0.200 0.000 1.470 90 W HN 0.463 nan 8.180 nan 0.000 0.578 91 D N 1.672 122.162 120.400 0.150 0.000 2.317 91 D HA 0.069 4.708 4.640 -0.001 0.000 0.252 91 D C 1.233 177.630 176.300 0.162 0.000 1.174 91 D CA -0.101 53.940 54.000 0.069 0.000 0.866 91 D CB 1.571 42.439 40.800 0.113 0.000 1.127 91 D HN 0.584 nan 8.370 nan 0.000 0.467 92 K N 1.688 122.093 120.400 0.009 0.000 2.211 92 K HA -0.090 4.229 4.320 -0.001 0.000 0.203 92 K C 1.123 177.935 176.600 0.354 0.000 1.050 92 K CA 0.880 57.255 56.287 0.146 0.000 0.945 92 K CB -0.049 32.469 32.500 0.030 0.000 0.732 92 K HN 0.255 nan 8.250 nan 0.000 0.451 93 T N 1.551 116.232 114.554 0.211 0.000 2.612 93 T HA -0.132 4.217 4.350 -0.001 0.000 0.251 93 T C 2.013 176.838 174.700 0.209 0.000 1.090 93 T CA 2.263 64.475 62.100 0.186 0.000 1.198 93 T CB -0.598 68.337 68.868 0.111 0.000 0.878 93 T HN 0.605 nan 8.240 nan 0.000 0.401 94 T N -0.382 114.277 114.554 0.174 0.000 2.977 94 T HA 0.126 4.475 4.350 -0.001 0.000 0.271 94 T C 1.817 176.654 174.700 0.228 0.000 1.105 94 T CA 1.327 63.528 62.100 0.167 0.000 1.116 94 T CB -0.848 68.099 68.868 0.132 0.000 0.878 94 T HN 0.742 nan 8.240 nan 0.000 0.509 95 G N 0.493 109.496 108.800 0.338 0.000 2.155 95 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.257 95 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.257 95 G C -0.082 175.028 174.900 0.350 0.000 0.983 95 G CA 0.125 45.492 45.100 0.445 0.000 0.676 95 G HN 0.649 nan 8.290 nan 0.000 0.528 96 Q N 0.234 120.205 119.800 0.286 0.000 2.235 96 Q HA 0.447 4.786 4.340 -0.001 0.000 0.250 96 Q C -2.321 173.804 176.000 0.208 0.000 0.909 96 Q CA -1.864 54.075 55.803 0.227 0.000 0.910 96 Q CB 1.486 30.318 28.738 0.157 0.000 1.223 96 Q HN 0.210 nan 8.270 nan 0.000 0.432 97 P HA 0.126 nan 4.420 nan 0.000 0.275 97 P C 0.632 177.962 177.300 0.051 0.000 1.228 97 P CA -0.037 63.078 63.100 0.025 0.000 0.786 97 P CB 0.406 32.014 31.700 -0.153 0.000 0.927 98 I N -0.767 119.829 120.570 0.044 0.000 3.428 98 I HA 0.439 4.608 4.170 -0.001 0.000 0.286 98 I C 0.486 176.625 176.117 0.037 0.000 1.287 98 I CA 0.403 61.724 61.300 0.036 0.000 1.396 98 I CB -0.170 37.841 38.000 0.019 0.000 1.062 98 I HN 0.243 nan 8.210 nan 0.000 0.471 99 A N 0.377 123.216 122.820 0.032 0.000 2.402 99 A HA 0.345 4.664 4.320 -0.001 0.000 0.295 99 A C -1.086 176.511 177.584 0.022 0.000 1.001 99 A CA -0.844 51.220 52.037 0.045 0.000 0.592 99 A CB -0.057 19.000 19.000 0.096 0.000 1.404 99 A HN 0.145 nan 8.150 nan 0.000 0.493 100 N N 0.481 119.200 118.700 0.032 0.000 2.381 100 N HA 0.437 5.177 4.740 -0.001 0.000 0.241 100 N C 0.352 175.867 175.510 0.008 0.000 1.279 100 N CA 0.909 53.972 53.050 0.022 0.000 0.896 100 N CB 0.759 39.267 38.487 0.035 0.000 1.118 100 N HN 1.086 nan 8.380 nan 0.000 0.438 101 A N 1.596 124.416 122.820 -0.000 0.000 2.354 101 A HA 0.418 4.737 4.320 -0.001 0.000 0.269 101 A C 0.374 177.927 177.584 -0.052 0.000 1.109 101 A CA -0.422 51.601 52.037 -0.024 0.000 0.800 101 A CB 0.055 19.040 19.000 -0.024 0.000 1.045 101 A HN 0.634 nan 8.150 nan 0.000 0.489 102 I N 2.795 123.317 120.570 -0.080 0.000 2.325 102 I HA 0.200 4.369 4.170 -0.001 0.000 0.291 102 I C -0.043 175.986 176.117 -0.146 0.000 1.019 102 I CA -0.489 60.704 61.300 -0.178 0.000 1.302 102 I CB 1.278 39.135 38.000 -0.239 0.000 1.401 102 I HN 0.336 nan 8.210 nan 0.000 0.485 103 V N 6.218 125.980 119.914 -0.253 0.000 3.003 103 V HA -0.010 4.109 4.120 -0.001 0.000 0.305 103 V C 1.204 177.222 176.094 -0.126 0.000 1.078 103 V CA -0.365 61.782 62.300 -0.254 0.000 1.083 103 V CB 0.917 32.414 31.823 -0.543 0.000 1.039 103 V HN 0.942 nan 8.190 nan 0.000 0.481 104 W N 0.842 122.162 121.300 0.034 0.000 2.421 104 W HA -0.133 4.526 4.660 -0.002 0.000 0.270 104 W C 1.321 177.899 176.519 0.098 0.000 1.233 104 W CA 0.867 58.295 57.345 0.139 0.000 1.226 104 W CB -0.722 28.914 29.460 0.293 0.000 1.121 104 W HN 0.660 nan 8.180 nan 0.000 0.579 105 Q N 1.245 120.618 119.800 -0.712 0.000 2.172 105 Q HA -0.058 4.281 4.340 -0.001 0.000 0.200 105 Q C 1.363 177.144 176.000 -0.366 0.000 0.964 105 Q CA 0.802 56.167 55.803 -0.729 0.000 0.855 105 Q CB -0.197 28.005 28.738 -0.894 0.000 0.918 105 Q HN 0.035 nan 8.270 nan 0.000 0.444 106 S N 0.396 115.916 115.700 -0.299 0.000 2.552 106 S HA 0.006 4.475 4.470 -0.001 0.000 0.289 106 S C 0.750 175.199 174.600 -0.252 0.000 1.304 106 S CA -0.186 57.861 58.200 -0.254 0.000 1.063 106 S CB 0.424 63.429 63.200 -0.325 0.000 0.848 106 S HN 0.189 nan 8.310 nan 0.000 0.499 107 R N 2.782 123.147 120.500 -0.226 0.000 2.432 107 R HA 0.062 4.401 4.340 -0.001 0.000 0.260 107 R C 1.935 178.055 176.300 -0.300 0.000 0.935 107 R CA 0.160 56.147 56.100 -0.188 0.000 1.080 107 R CB -0.494 29.759 30.300 -0.078 0.000 1.155 107 R HN 0.896 nan 8.270 nan 0.000 0.531 108 Q N 0.589 119.983 119.800 -0.677 0.000 2.297 108 Q HA -0.097 4.242 4.340 -0.001 0.000 0.208 108 Q C 0.887 176.471 176.000 -0.693 0.000 0.981 108 Q CA 1.910 57.032 55.803 -1.134 0.000 0.876 108 Q CB -0.120 27.130 28.738 -2.479 0.000 0.921 108 Q HN 0.153 nan 8.270 nan 0.000 0.446 109 S N -1.082 114.334 115.700 -0.473 0.000 2.597 109 S HA 0.216 4.686 4.470 -0.001 0.000 0.224 109 S C 1.406 175.994 174.600 -0.020 0.000 0.955 109 S CA 0.004 58.108 58.200 -0.160 0.000 0.933 109 S CB 0.579 63.702 63.200 -0.129 0.000 0.788 109 S HN 0.263 nan 8.310 nan 0.000 0.488 110 S N 3.510 119.187 115.700 -0.038 0.000 2.374 110 S HA -0.009 4.460 4.470 -0.001 0.000 0.227 110 S C -0.781 173.860 174.600 0.069 0.000 1.037 110 S CA 1.625 59.840 58.200 0.026 0.000 1.024 110 S CB -1.220 61.996 63.200 0.027 0.000 0.861 110 S HN 0.497 nan 8.310 nan 0.000 0.456 111 P HA -0.064 nan 4.420 nan 0.000 0.215 111 P C 1.261 178.617 177.300 0.093 0.000 1.153 111 P CA 0.975 64.135 63.100 0.099 0.000 0.853 111 P CB -0.099 31.674 31.700 0.121 0.000 0.788 112 I N -0.851 119.779 120.570 0.101 0.000 2.226 112 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 112 I C 2.285 178.453 176.117 0.085 0.000 1.100 112 I CA 1.574 62.927 61.300 0.089 0.000 1.374 112 I CB -0.837 37.223 38.000 0.099 0.000 1.057 112 I HN -0.073 nan 8.210 nan 0.000 0.413 113 A N 0.370 123.243 122.820 0.089 0.000 1.930 113 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 113 A C 1.971 179.616 177.584 0.102 0.000 1.175 113 A CA 1.745 53.843 52.037 0.101 0.000 0.627 113 A CB -0.504 18.561 19.000 0.110 0.000 0.815 113 A HN 0.341 nan 8.150 nan 0.000 0.443 114 D N -0.832 119.624 120.400 0.093 0.000 2.144 114 D HA -0.161 4.478 4.640 -0.001 0.000 0.199 114 D C 2.056 178.406 176.300 0.083 0.000 0.984 114 D CA 1.714 55.767 54.000 0.088 0.000 0.834 114 D CB -0.240 40.610 40.800 0.083 0.000 0.955 114 D HN 0.509 nan 8.370 nan 0.000 0.465 115 Q N 0.562 120.411 119.800 0.082 0.000 2.124 115 Q HA -0.049 4.291 4.340 -0.001 0.000 0.202 115 Q C 2.224 178.285 176.000 0.101 0.000 0.977 115 Q CA 0.901 56.751 55.803 0.079 0.000 0.850 115 Q CB -0.311 28.470 28.738 0.072 0.000 0.901 115 Q HN 0.306 nan 8.270 nan 0.000 0.429 116 L N 0.096 121.392 121.223 0.123 0.000 2.093 116 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 116 L C 2.095 179.064 176.870 0.164 0.000 1.085 116 L CA 1.583 56.536 54.840 0.190 0.000 0.755 116 L CB -0.508 41.644 42.059 0.156 0.000 0.904 116 L HN 0.242 nan 8.230 nan 0.000 0.435 117 K N -0.536 119.931 120.400 0.112 0.000 2.217 117 K HA -0.039 4.280 4.320 -0.001 0.000 0.202 117 K C 1.663 178.288 176.600 0.042 0.000 1.051 117 K CA 0.879 57.214 56.287 0.079 0.000 0.952 117 K CB -0.941 31.608 32.500 0.081 0.000 0.736 117 K HN -0.051 nan 8.250 nan 0.000 0.453 118 V N 2.337 122.279 119.914 0.046 0.000 2.358 118 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 118 V C 0.801 176.887 176.094 -0.012 0.000 1.047 118 V CA 1.994 64.308 62.300 0.024 0.000 1.035 118 V CB -0.455 31.389 31.823 0.036 0.000 0.658 118 V HN 0.389 nan 8.190 nan 0.000 0.452 119 D N 0.571 120.960 120.400 -0.018 0.000 2.332 119 D HA 0.155 4.794 4.640 -0.001 0.000 0.244 119 D C 1.403 177.506 176.300 -0.329 0.000 1.136 119 D CA 0.892 54.825 54.000 -0.112 0.000 0.884 119 D CB -0.537 40.249 40.800 -0.023 0.000 0.906 119 D HN 0.487 nan 8.370 nan 0.000 0.520 120 G N 1.619 110.302 108.800 -0.195 0.000 2.372 120 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.297 120 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.297 120 G C 0.492 175.224 174.900 -0.281 0.000 1.005 120 G CA -0.064 44.920 45.100 -0.193 0.000 1.173 120 G HN 0.463 nan 8.290 nan 0.000 0.511 121 H N -0.571 118.514 119.070 0.027 0.000 2.652 121 H HA 0.126 4.682 4.556 -0.001 0.000 0.274 121 H C 2.407 177.754 175.328 0.032 0.000 1.021 121 H CA 0.773 56.837 56.048 0.027 0.000 1.187 121 H CB 0.318 30.096 29.762 0.027 0.000 1.505 121 H HN 0.414 nan 8.280 nan 0.000 0.530 122 T N 1.426 116.047 114.554 0.112 0.000 2.607 122 T HA -0.179 4.171 4.350 -0.001 0.000 0.267 122 T C 1.752 176.507 174.700 0.092 0.000 1.049 122 T CA 1.814 63.964 62.100 0.083 0.000 1.162 122 T CB 0.086 68.977 68.868 0.039 0.000 0.863 122 T HN 0.345 nan 8.240 nan 0.000 0.424 123 E N 0.750 120.996 120.200 0.077 0.000 2.160 123 E HA -0.056 4.293 4.350 -0.001 0.000 0.195 123 E C 2.010 178.675 176.600 0.110 0.000 0.991 123 E CA 0.711 57.170 56.400 0.098 0.000 0.810 123 E CB -0.384 29.353 29.700 0.061 0.000 0.742 123 E HN 0.456 nan 8.360 nan 0.000 0.466 124 M N 0.092 119.750 119.600 0.097 0.000 2.064 124 M HA -0.145 4.335 4.480 -0.001 0.000 0.260 124 M C 1.682 178.021 176.300 0.064 0.000 1.073 124 M CA 1.458 56.805 55.300 0.079 0.000 1.124 124 M CB -0.050 32.614 32.600 0.107 0.000 1.326 124 M HN 0.076 nan 8.290 nan 0.000 0.410 125 I N 0.297 120.914 120.570 0.078 0.000 2.151 125 I HA -0.328 3.841 4.170 -0.001 0.000 0.243 125 I C 2.529 178.674 176.117 0.047 0.000 1.080 125 I CA 1.925 63.253 61.300 0.046 0.000 1.339 125 I CB -2.118 35.912 38.000 0.050 0.000 1.039 125 I HN 0.491 nan 8.210 nan 0.000 0.409 126 H N 1.214 120.272 119.070 -0.019 0.000 2.319 126 H HA -0.230 4.326 4.556 -0.001 0.000 0.299 126 H C 2.148 177.477 175.328 0.001 0.000 1.092 126 H CA 2.416 58.446 56.048 -0.031 0.000 1.302 126 H CB -0.099 29.645 29.762 -0.030 0.000 1.373 126 H HN 0.293 nan 8.280 nan 0.000 0.497 127 E N 0.640 120.783 120.200 -0.096 0.000 2.038 127 E HA -0.174 4.175 4.350 -0.001 0.000 0.195 127 E C 2.096 178.676 176.600 -0.034 0.000 1.000 127 E CA 1.950 58.270 56.400 -0.133 0.000 0.803 127 E CB -0.100 29.565 29.700 -0.059 0.000 0.750 127 E HN 0.568 nan 8.360 nan 0.000 0.448 128 K N -0.978 119.419 120.400 -0.005 0.000 2.025 128 K HA -0.056 4.264 4.320 -0.001 0.000 0.207 128 K C 2.293 178.881 176.600 -0.021 0.000 1.049 128 K CA 1.834 58.140 56.287 0.030 0.000 0.933 128 K CB -0.222 32.277 32.500 -0.002 0.000 0.714 128 K HN 0.394 nan 8.250 nan 0.000 0.438 129 T N -3.670 110.846 114.554 -0.064 0.000 3.014 129 T HA 0.208 4.557 4.350 -0.001 0.000 0.250 129 T C 1.442 176.059 174.700 -0.138 0.000 1.060 129 T CA 0.505 62.546 62.100 -0.099 0.000 1.040 129 T CB 0.681 69.493 68.868 -0.093 0.000 0.971 129 T HN 0.355 nan 8.240 nan 0.000 0.497 130 G N 1.243 109.950 108.800 -0.155 0.000 2.179 130 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.260 130 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.260 130 G C -0.064 174.826 174.900 -0.017 0.000 0.977 130 G CA 0.421 45.434 45.100 -0.145 0.000 0.641 130 G HN 0.646 nan 8.290 nan 0.000 0.533 131 L N -0.242 120.933 121.223 -0.081 0.000 2.347 131 L HA 0.882 5.221 4.340 -0.001 0.000 0.268 131 L C 1.041 177.867 176.870 -0.073 0.000 1.019 131 L CA -1.190 53.532 54.840 -0.196 0.000 0.806 131 L CB 1.430 43.060 42.059 -0.715 0.000 1.339 131 L HN 0.268 nan 8.230 nan 0.000 0.463 132 V N -1.744 118.103 119.914 -0.111 0.000 2.975 132 V HA 0.514 4.633 4.120 -0.001 0.000 0.318 132 V C -0.148 176.032 176.094 0.143 0.000 1.077 132 V CA -0.806 61.458 62.300 -0.059 0.000 1.000 132 V CB 1.848 33.499 31.823 -0.287 0.000 1.066 132 V HN 0.498 nan 8.190 nan 0.000 0.452 133 I N 2.596 123.244 120.570 0.130 0.000 2.396 133 I HA 0.523 4.692 4.170 -0.001 0.000 0.289 133 I C -0.315 175.952 176.117 0.251 0.000 1.056 133 I CA 0.686 62.104 61.300 0.197 0.000 1.365 133 I CB 0.565 38.649 38.000 0.140 0.000 1.407 133 I HN 0.918 nan 8.210 nan 0.000 0.509 134 D N 3.778 124.377 120.400 0.332 0.000 2.648 134 D HA 0.409 5.048 4.640 -0.001 0.000 0.244 134 D C 0.265 176.671 176.300 0.177 0.000 1.244 134 D CA -0.440 53.709 54.000 0.248 0.000 0.772 134 D CB 1.614 42.590 40.800 0.292 0.000 1.379 134 D HN 0.415 nan 8.370 nan 0.000 0.428 135 A N 1.396 124.271 122.820 0.091 0.000 2.172 135 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 135 A C 1.647 179.245 177.584 0.023 0.000 1.154 135 A CA 1.086 53.142 52.037 0.030 0.000 0.701 135 A CB -0.782 18.195 19.000 -0.037 0.000 0.789 135 A HN 0.625 nan 8.150 nan 0.000 0.465 136 Y N 0.330 120.499 120.300 -0.218 0.000 2.128 136 Y HA -0.112 4.437 4.550 -0.001 0.000 0.284 136 Y C 0.332 176.052 175.900 -0.300 0.000 1.154 136 Y CA 0.173 58.066 58.100 -0.345 0.000 1.149 136 Y CB -0.686 37.425 38.460 -0.582 0.000 0.976 136 Y HN 0.237 nan 8.280 nan 0.000 0.505 137 F N -0.422 119.581 119.950 0.088 0.000 2.378 137 F HA 0.225 4.751 4.527 -0.002 0.000 0.319 137 F C 1.953 177.766 175.800 0.021 0.000 1.155 137 F CA 0.184 58.154 58.000 -0.050 0.000 1.157 137 F CB 0.176 39.158 39.000 -0.031 0.000 1.252 137 F HN -0.314 nan 8.300 nan 0.000 0.550 138 S N 0.614 116.456 115.700 0.237 0.000 2.382 138 S HA -0.208 4.261 4.470 -0.001 0.000 0.228 138 S C 2.260 176.875 174.600 0.024 0.000 1.027 138 S CA 1.110 59.406 58.200 0.159 0.000 0.991 138 S CB -0.603 62.758 63.200 0.267 0.000 0.823 138 S HN 0.720 nan 8.310 nan 0.000 0.469 139 A N 2.015 124.847 122.820 0.020 0.000 1.881 139 A HA -0.254 4.065 4.320 -0.001 0.000 0.219 139 A C 2.475 180.037 177.584 -0.036 0.000 1.215 139 A CA 2.693 54.696 52.037 -0.058 0.000 0.648 139 A CB -1.756 17.245 19.000 0.002 0.000 0.832 139 A HN 0.664 nan 8.150 nan 0.000 0.455 140 T N -2.542 112.033 114.554 0.036 0.000 3.035 140 T HA -0.008 4.341 4.350 -0.001 0.000 0.268 140 T C 1.611 176.342 174.700 0.053 0.000 1.109 140 T CA 1.428 63.555 62.100 0.045 0.000 1.119 140 T CB -0.205 68.705 68.868 0.071 0.000 0.900 140 T HN 0.586 nan 8.240 nan 0.000 0.503 141 K N 0.730 121.147 120.400 0.028 0.000 2.116 141 K HA 0.096 4.415 4.320 -0.001 0.000 0.203 141 K C 2.261 178.906 176.600 0.075 0.000 1.052 141 K CA 0.878 57.181 56.287 0.027 0.000 0.952 141 K CB -0.238 32.266 32.500 0.006 0.000 0.729 141 K HN 0.208 nan 8.250 nan 0.000 0.446 142 V N 1.360 121.265 119.914 -0.015 0.000 2.453 142 V HA -0.184 3.935 4.120 -0.001 0.000 0.247 142 V C 2.299 178.377 176.094 -0.028 0.000 1.048 142 V CA 1.519 63.781 62.300 -0.063 0.000 1.049 142 V CB -0.426 31.220 31.823 -0.295 0.000 0.672 142 V HN 0.204 nan 8.190 nan 0.000 0.457 143 R N -0.380 120.107 120.500 -0.021 0.000 2.081 143 R HA -0.217 4.122 4.340 -0.001 0.000 0.235 143 R C 1.941 178.255 176.300 0.024 0.000 1.131 143 R CA 1.983 58.073 56.100 -0.016 0.000 0.960 143 R CB -0.927 29.369 30.300 -0.006 0.000 0.856 143 R HN 0.591 nan 8.270 nan 0.000 0.436 144 W N 0.443 121.689 121.300 -0.089 0.000 2.333 144 W HA -0.179 4.480 4.660 -0.002 0.000 0.316 144 W C 1.650 178.121 176.519 -0.081 0.000 1.215 144 W CA 1.950 59.239 57.345 -0.094 0.000 1.278 144 W CB -0.346 29.032 29.460 -0.137 0.000 1.154 144 W HN 0.123 nan 8.180 nan 0.000 0.486 145 L N -0.011 121.368 121.223 0.261 0.000 2.083 145 L HA -0.258 4.081 4.340 -0.001 0.000 0.209 145 L C 2.429 179.253 176.870 -0.076 0.000 1.083 145 L CA 1.151 56.071 54.840 0.133 0.000 0.752 145 L CB -0.885 41.278 42.059 0.172 0.000 0.899 145 L HN 0.085 nan 8.230 nan 0.000 0.433 146 L N -0.873 120.302 121.223 -0.081 0.000 2.156 146 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 146 L C 2.046 178.823 176.870 -0.155 0.000 1.095 146 L CA 0.815 55.591 54.840 -0.107 0.000 0.770 146 L CB -0.523 41.480 42.059 -0.093 0.000 0.914 146 L HN 0.242 nan 8.230 nan 0.000 0.439 147 D N -0.027 120.244 120.400 -0.215 0.000 2.123 147 D HA -0.112 4.527 4.640 -0.001 0.000 0.200 147 D C 1.793 177.895 176.300 -0.330 0.000 0.976 147 D CA 1.028 54.876 54.000 -0.253 0.000 0.831 147 D CB -0.063 40.565 40.800 -0.286 0.000 0.974 147 D HN 0.274 nan 8.370 nan 0.000 0.469 148 N N -0.017 118.366 118.700 -0.529 0.000 2.325 148 N HA 0.014 4.753 4.740 -0.001 0.000 0.182 148 N C 0.023 175.343 175.510 -0.317 0.000 1.088 148 N CA 0.105 52.825 53.050 -0.549 0.000 0.879 148 N CB 1.473 39.280 38.487 -1.133 0.000 0.983 148 N HN 0.141 nan 8.380 nan 0.000 0.471 149 I N 2.330 122.766 120.570 -0.224 0.000 2.312 149 I HA 0.176 4.345 4.170 -0.001 0.000 0.290 149 I C 0.056 176.121 176.117 -0.085 0.000 1.008 149 I CA -0.778 60.458 61.300 -0.106 0.000 1.226 149 I CB 0.674 38.643 38.000 -0.052 0.000 1.371 149 I HN -0.188 nan 8.210 nan 0.000 0.468 150 E N 4.193 124.355 120.200 -0.063 0.000 2.480 150 E HA 0.327 4.676 4.350 -0.001 0.000 0.258 150 E C 1.229 177.805 176.600 -0.040 0.000 0.984 150 E CA 0.966 57.336 56.400 -0.050 0.000 0.930 150 E CB 0.158 29.837 29.700 -0.035 0.000 0.936 150 E HN 0.867 nan 8.360 nan 0.000 0.466 151 G N 2.267 111.041 108.800 -0.043 0.000 2.234 151 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.260 151 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.260 151 G C 1.211 176.085 174.900 -0.043 0.000 0.987 151 G CA 0.666 45.745 45.100 -0.036 0.000 0.625 151 G HN 0.705 nan 8.290 nan 0.000 0.532 152 A N 0.009 122.798 122.820 -0.051 0.000 1.851 152 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 152 A C 2.201 179.746 177.584 -0.066 0.000 1.195 152 A CA 2.715 54.717 52.037 -0.058 0.000 0.622 152 A CB -0.611 18.351 19.000 -0.063 0.000 0.831 152 A HN 0.958 nan 8.150 nan 0.000 0.444 153 Q N -0.167 119.591 119.800 -0.070 0.000 2.112 153 Q HA -0.235 4.104 4.340 -0.001 0.000 0.206 153 Q C 1.963 177.927 176.000 -0.060 0.000 0.987 153 Q CA 2.491 58.252 55.803 -0.070 0.000 0.858 153 Q CB -0.334 28.363 28.738 -0.069 0.000 0.905 153 Q HN 0.790 nan 8.270 nan 0.000 0.420 154 E N -0.393 119.776 120.200 -0.051 0.000 2.072 154 E HA -0.190 4.159 4.350 -0.001 0.000 0.191 154 E C 1.640 178.214 176.600 -0.043 0.000 0.985 154 E CA 1.173 57.547 56.400 -0.043 0.000 0.801 154 E CB 0.018 29.697 29.700 -0.035 0.000 0.750 154 E HN 0.329 nan 8.360 nan 0.000 0.452 155 K N 0.006 120.379 120.400 -0.046 0.000 2.147 155 K HA -0.085 4.234 4.320 -0.001 0.000 0.205 155 K C 2.045 178.607 176.600 -0.064 0.000 1.049 155 K CA 0.963 57.222 56.287 -0.047 0.000 0.936 155 K CB -0.017 32.456 32.500 -0.044 0.000 0.722 155 K HN 0.129 nan 8.250 nan 0.000 0.446 156 A N 1.648 124.424 122.820 -0.075 0.000 1.898 156 A HA -0.129 4.191 4.320 -0.001 0.000 0.214 156 A C 1.653 179.190 177.584 -0.078 0.000 1.183 156 A CA 1.262 53.243 52.037 -0.092 0.000 0.622 156 A CB -0.170 18.768 19.000 -0.103 0.000 0.824 156 A HN 0.126 nan 8.150 nan 0.000 0.444 157 D N -0.017 120.345 120.400 -0.065 0.000 2.178 157 D HA -0.113 4.526 4.640 -0.001 0.000 0.201 157 D C 0.959 177.232 176.300 -0.044 0.000 0.980 157 D CA 1.140 55.107 54.000 -0.054 0.000 0.842 157 D CB -0.268 40.504 40.800 -0.046 0.000 0.948 157 D HN 0.400 nan 8.370 nan 0.000 0.472 158 N N -0.540 118.135 118.700 -0.042 0.000 2.461 158 N HA 0.098 4.837 4.740 -0.001 0.000 0.188 158 N C 0.887 176.377 175.510 -0.034 0.000 1.134 158 N CA 0.637 53.668 53.050 -0.032 0.000 0.878 158 N CB 0.546 39.017 38.487 -0.027 0.000 0.972 158 N HN 0.160 nan 8.380 nan 0.000 0.456 159 G N 0.260 109.030 108.800 -0.049 0.000 2.147 159 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.244 159 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.244 159 G C 0.642 175.505 174.900 -0.062 0.000 1.005 159 G CA 0.357 45.425 45.100 -0.054 0.000 0.713 159 G HN 0.464 nan 8.290 nan 0.000 0.515 160 E N -0.965 119.193 120.200 -0.070 0.000 2.415 160 E HA 0.291 4.640 4.350 -0.001 0.000 0.197 160 E C 1.120 177.642 176.600 -0.131 0.000 1.007 160 E CA 0.081 56.440 56.400 -0.069 0.000 0.890 160 E CB 0.348 30.024 29.700 -0.041 0.000 0.891 160 E HN 0.548 nan 8.360 nan 0.000 0.496 161 L N 1.628 122.746 121.223 -0.176 0.000 2.331 161 L HA 0.476 4.815 4.340 -0.001 0.000 0.275 161 L C -0.439 176.171 176.870 -0.433 0.000 1.022 161 L CA -0.680 53.992 54.840 -0.281 0.000 0.812 161 L CB 1.388 43.324 42.059 -0.205 0.000 1.257 161 L HN -0.052 nan 8.230 nan 0.000 0.435 162 L N 2.189 122.940 121.223 -0.787 0.000 2.362 162 L HA 0.501 4.841 4.340 -0.001 0.000 0.271 162 L C -0.790 175.460 176.870 -1.033 0.000 1.002 162 L CA -0.564 53.653 54.840 -1.040 0.000 0.818 162 L CB 2.286 43.294 42.059 -1.752 0.000 1.298 162 L HN 0.376 nan 8.230 nan 0.000 0.420 163 F N 1.339 120.883 119.950 -0.677 0.000 2.425 163 F HA 0.871 5.397 4.527 -0.001 0.000 0.331 163 F C 0.059 175.746 175.800 -0.188 0.000 1.085 163 F CA -0.597 57.160 58.000 -0.405 0.000 1.028 163 F CB 1.928 40.773 39.000 -0.259 0.000 1.177 163 F HN 0.370 nan 8.300 nan 0.000 0.487 164 G N 2.140 110.237 108.800 -1.172 0.000 2.702 164 G HA2 0.467 4.426 3.960 -0.001 0.000 0.296 164 G HA3 0.467 4.426 3.960 -0.001 0.000 0.296 164 G C -1.265 173.342 174.900 -0.487 0.000 1.463 164 G CA -0.394 44.267 45.100 -0.732 0.000 0.890 164 G HN 0.891 nan 8.290 nan 0.000 0.534 165 T N -0.203 114.165 114.554 -0.310 0.000 2.824 165 T HA 0.404 4.753 4.350 -0.001 0.000 0.277 165 T C 1.653 176.393 174.700 0.068 0.000 0.975 165 T CA -0.754 61.325 62.100 -0.034 0.000 0.966 165 T CB 0.873 69.765 68.868 0.039 0.000 1.054 165 T HN 0.205 nan 8.240 nan 0.000 0.533 166 I N 2.068 122.708 120.570 0.115 0.000 2.248 166 I HA -0.177 3.992 4.170 -0.001 0.000 0.248 166 I C 2.441 178.653 176.117 0.158 0.000 1.107 166 I CA 1.589 62.992 61.300 0.173 0.000 1.373 166 I CB -1.464 36.640 38.000 0.174 0.000 1.055 166 I HN 0.845 nan 8.210 nan 0.000 0.418 167 D N -0.356 120.095 120.400 0.084 0.000 2.144 167 D HA -0.177 4.462 4.640 -0.001 0.000 0.199 167 D C 2.099 178.412 176.300 0.022 0.000 0.984 167 D CA 1.508 55.526 54.000 0.030 0.000 0.834 167 D CB -0.456 40.327 40.800 -0.027 0.000 0.955 167 D HN 0.262 nan 8.370 nan 0.000 0.465 168 S N -0.733 115.001 115.700 0.057 0.000 2.387 168 S HA -0.114 4.355 4.470 -0.001 0.000 0.226 168 S C 1.630 176.377 174.600 0.245 0.000 1.026 168 S CA 0.869 59.145 58.200 0.126 0.000 0.972 168 S CB -0.831 62.447 63.200 0.131 0.000 0.814 168 S HN 0.572 nan 8.310 nan 0.000 0.477 169 W N 1.762 123.034 121.300 -0.047 0.000 2.355 169 W HA -0.139 4.521 4.660 -0.000 0.000 0.309 169 W C 1.528 177.900 176.519 -0.245 0.000 1.206 169 W CA 1.020 58.163 57.345 -0.338 0.000 1.284 169 W CB -0.402 28.857 29.460 -0.335 0.000 1.145 169 W HN 0.317 nan 8.180 nan 0.000 0.502 170 L N 0.471 121.593 121.223 -0.169 0.000 2.017 170 L HA -0.253 4.086 4.340 -0.001 0.000 0.208 170 L C 2.400 179.114 176.870 -0.259 0.000 1.073 170 L CA 1.231 55.912 54.840 -0.264 0.000 0.745 170 L CB -1.355 40.712 42.059 0.012 0.000 0.894 170 L HN -0.174 nan 8.230 nan 0.000 0.432 171 V N -0.682 119.165 119.914 -0.112 0.000 2.515 171 V HA -0.286 3.834 4.120 -0.001 0.000 0.250 171 V C 2.078 178.117 176.094 -0.091 0.000 1.058 171 V CA 1.632 63.882 62.300 -0.084 0.000 1.064 171 V CB -0.668 31.122 31.823 -0.056 0.000 0.675 171 V HN 0.666 nan 8.190 nan 0.000 0.461 172 W N 1.115 122.254 121.300 -0.269 0.000 2.402 172 W HA -0.121 4.541 4.660 0.002 0.000 0.286 172 W C 2.113 178.323 176.519 -0.516 0.000 1.221 172 W CA 1.325 58.505 57.345 -0.274 0.000 1.257 172 W CB -0.151 29.180 29.460 -0.216 0.000 1.120 172 W HN 0.173 nan 8.180 nan 0.000 0.551 173 K N 0.904 120.903 120.400 -0.668 0.000 2.031 173 K HA -0.079 4.241 4.320 -0.001 0.000 0.205 173 K C 2.212 178.392 176.600 -0.700 0.000 1.049 173 K CA 1.198 56.839 56.287 -1.078 0.000 0.939 173 K CB -1.107 30.126 32.500 -2.111 0.000 0.717 173 K HN 0.298 nan 8.250 nan 0.000 0.438 174 L N 1.195 122.155 121.223 -0.439 0.000 2.127 174 L HA -0.147 4.192 4.340 -0.001 0.000 0.211 174 L C 2.044 178.795 176.870 -0.198 0.000 1.089 174 L CA 1.694 56.448 54.840 -0.145 0.000 0.757 174 L CB -0.633 41.395 42.059 -0.050 0.000 0.899 174 L HN 0.282 nan 8.230 nan 0.000 0.434 175 T N -5.256 109.135 114.554 -0.271 0.000 3.145 175 T HA 0.032 4.381 4.350 -0.001 0.000 0.255 175 T C 0.626 175.111 174.700 -0.358 0.000 1.039 175 T CA -0.276 61.669 62.100 -0.259 0.000 0.928 175 T CB -0.073 68.681 68.868 -0.190 0.000 1.029 175 T HN 0.223 nan 8.240 nan 0.000 0.554 176 D N 1.667 121.800 120.400 -0.445 0.000 2.735 176 D HA -0.176 4.463 4.640 -0.001 0.000 0.235 176 D C 1.257 177.141 176.300 -0.693 0.000 1.175 176 D CA 1.525 55.249 54.000 -0.460 0.000 0.683 176 D CB -1.636 39.065 40.800 -0.164 0.000 1.008 176 D HN 0.993 nan 8.370 nan 0.000 0.416 177 G N 0.347 108.335 108.800 -1.353 0.000 2.168 177 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.263 177 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.263 177 G C 0.939 175.293 174.900 -0.909 0.000 0.977 177 G CA 0.795 44.685 45.100 -2.017 0.000 0.659 177 G HN 0.503 nan 8.290 nan 0.000 0.533 178 Q N -0.870 118.642 119.800 -0.479 0.000 2.269 178 Q HA 0.231 4.570 4.340 -0.001 0.000 0.201 178 Q C 1.027 176.999 176.000 -0.047 0.000 0.946 178 Q CA 1.087 56.776 55.803 -0.190 0.000 0.877 178 Q CB 0.493 29.155 28.738 -0.128 0.000 0.963 178 Q HN 0.542 nan 8.270 nan 0.000 0.472 179 V N 1.182 121.086 119.914 -0.018 0.000 2.483 179 V HA 0.175 4.294 4.120 -0.001 0.000 0.297 179 V C -1.121 175.161 176.094 0.314 0.000 1.027 179 V CA -0.846 61.526 62.300 0.120 0.000 0.855 179 V CB 1.501 33.358 31.823 0.057 0.000 0.995 179 V HN 0.127 nan 8.190 nan 0.000 0.424 180 H N 3.855 123.075 119.070 0.249 0.000 2.725 180 H HA 0.787 5.342 4.556 -0.001 0.000 0.283 180 H C -1.046 174.374 175.328 0.153 0.000 1.110 180 H CA -0.252 55.978 56.048 0.303 0.000 1.289 180 H CB 1.307 31.272 29.762 0.339 0.000 1.400 180 H HN 0.483 nan 8.280 nan 0.000 0.493 181 V N 3.987 123.844 119.914 -0.094 0.000 3.159 181 V HA 0.719 4.839 4.120 -0.001 0.000 0.308 181 V C -0.961 174.984 176.094 -0.248 0.000 1.190 181 V CA -0.234 61.947 62.300 -0.199 0.000 1.037 181 V CB 2.567 34.296 31.823 -0.156 0.000 1.060 181 V HN 0.813 nan 8.190 nan 0.000 0.437 182 T N 1.547 115.945 114.554 -0.259 0.000 2.843 182 T HA 0.486 4.835 4.350 -0.001 0.000 0.302 182 T C -1.961 172.542 174.700 -0.328 0.000 1.232 182 T CA -0.376 61.573 62.100 -0.252 0.000 1.009 182 T CB 1.694 70.489 68.868 -0.122 0.000 1.254 182 T HN 0.995 nan 8.240 nan 0.000 0.504 183 D N 1.217 121.434 120.400 -0.304 0.000 2.384 183 D HA 0.243 4.882 4.640 -0.001 0.000 0.250 183 D C 0.640 176.766 176.300 -0.290 0.000 1.029 183 D CA -0.536 53.276 54.000 -0.314 0.000 0.990 183 D CB 0.771 41.459 40.800 -0.188 0.000 1.175 183 D HN 0.454 nan 8.370 nan 0.000 0.532 184 Y N 0.823 120.994 120.300 -0.215 0.000 2.069 184 Y HA -0.309 4.241 4.550 -0.001 0.000 0.278 184 Y C 3.036 178.790 175.900 -0.243 0.000 1.175 184 Y CA 2.076 60.007 58.100 -0.281 0.000 1.134 184 Y CB -1.171 37.189 38.460 -0.165 0.000 0.965 184 Y HN 0.564 nan 8.280 nan 0.000 0.498 185 S N -0.036 115.691 115.700 0.046 0.000 2.374 185 S HA -0.244 4.225 4.470 -0.001 0.000 0.227 185 S C 1.889 176.474 174.600 -0.026 0.000 1.037 185 S CA 1.636 59.844 58.200 0.013 0.000 1.024 185 S CB -0.672 62.555 63.200 0.044 0.000 0.861 185 S HN 0.491 nan 8.310 nan 0.000 0.456 186 N N 2.142 120.811 118.700 -0.052 0.000 2.216 186 N HA 0.102 4.841 4.740 -0.001 0.000 0.183 186 N C 2.082 177.574 175.510 -0.029 0.000 1.017 186 N CA 1.280 54.312 53.050 -0.031 0.000 0.861 186 N CB -0.727 37.739 38.487 -0.035 0.000 0.986 186 N HN 0.614 nan 8.380 nan 0.000 0.428 187 A N 1.222 123.936 122.820 -0.177 0.000 1.883 187 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 187 A C 2.374 179.854 177.584 -0.175 0.000 1.186 187 A CA 2.187 54.025 52.037 -0.332 0.000 0.624 187 A CB -0.891 17.409 19.000 -1.166 0.000 0.822 187 A HN 0.464 nan 8.150 nan 0.000 0.444 188 S N -0.782 114.829 115.700 -0.148 0.000 2.440 188 S HA -0.126 4.343 4.470 -0.001 0.000 0.238 188 S C 1.667 176.274 174.600 0.011 0.000 1.010 188 S CA 1.097 59.309 58.200 0.021 0.000 0.972 188 S CB -0.327 62.882 63.200 0.015 0.000 0.774 188 S HN 0.498 nan 8.310 nan 0.000 0.501 189 R N 1.257 121.774 120.500 0.028 0.000 2.317 189 R HA 0.130 4.469 4.340 -0.001 0.000 0.208 189 R C 1.981 178.357 176.300 0.128 0.000 0.914 189 R CA 1.066 57.197 56.100 0.051 0.000 1.060 189 R CB -0.641 29.701 30.300 0.070 0.000 1.015 189 R HN 0.818 nan 8.270 nan 0.000 0.498 190 T N -2.917 111.743 114.554 0.177 0.000 3.043 190 T HA 0.027 4.376 4.350 -0.001 0.000 0.263 190 T C 1.349 176.138 174.700 0.147 0.000 1.094 190 T CA 0.466 62.714 62.100 0.246 0.000 1.127 190 T CB 0.075 69.187 68.868 0.407 0.000 0.905 190 T HN 0.228 nan 8.240 nan 0.000 0.490 191 M N -0.457 119.178 119.600 0.058 0.000 2.939 191 M HA -0.150 4.329 4.480 -0.001 0.000 0.202 191 M C -0.364 175.977 176.300 0.069 0.000 0.592 191 M CA 0.624 55.907 55.300 -0.028 0.000 0.749 191 M CB -1.496 31.072 32.600 -0.055 0.000 2.692 191 M HN 0.399 nan 8.290 nan 0.000 0.382 192 L N -0.611 120.732 121.223 0.201 0.000 2.966 192 L HA 0.303 4.642 4.340 -0.001 0.000 0.262 192 L C -0.028 177.144 176.870 0.504 0.000 1.165 192 L CA -0.270 54.727 54.840 0.263 0.000 0.978 192 L CB 0.529 42.698 42.059 0.183 0.000 1.337 192 L HN 0.348 nan 8.230 nan 0.000 0.563 193 Y N 1.041 121.476 120.300 0.226 0.000 2.377 193 Y HA 0.374 4.924 4.550 -0.001 0.000 0.339 193 Y C 0.097 175.982 175.900 -0.026 0.000 1.011 193 Y CA -1.160 56.977 58.100 0.063 0.000 1.093 193 Y CB 1.251 39.621 38.460 -0.150 0.000 1.201 193 Y HN -0.107 nan 8.280 nan 0.000 0.455 194 N N 6.770 125.170 118.700 -0.499 0.000 2.439 194 N HA 0.062 4.801 4.740 -0.001 0.000 0.243 194 N C 0.922 176.150 175.510 -0.470 0.000 1.088 194 N CA 0.002 52.838 53.050 -0.357 0.000 0.940 194 N CB 0.328 38.650 38.487 -0.275 0.000 1.180 194 N HN 0.905 nan 8.380 nan 0.000 0.505 195 I N 0.715 121.115 120.570 -0.284 0.000 3.241 195 I HA -0.072 4.097 4.170 -0.001 0.000 0.280 195 I C 0.185 176.127 176.117 -0.291 0.000 1.320 195 I CA 0.843 62.007 61.300 -0.225 0.000 1.413 195 I CB -0.220 37.693 38.000 -0.145 0.000 1.060 195 I HN 0.394 nan 8.210 nan 0.000 0.500 196 H N 1.131 120.146 119.070 -0.091 0.000 2.506 196 H HA 0.231 4.787 4.556 -0.001 0.000 0.289 196 H C 1.490 176.758 175.328 -0.101 0.000 1.009 196 H CA 0.404 56.403 56.048 -0.081 0.000 1.303 196 H CB 0.306 29.995 29.762 -0.121 0.000 1.453 196 H HN 0.220 nan 8.280 nan 0.000 0.526 197 K N 1.006 121.380 120.400 -0.043 0.000 2.374 197 K HA 0.185 4.504 4.320 -0.001 0.000 0.196 197 K C -0.302 176.206 176.600 -0.154 0.000 1.023 197 K CA 0.055 56.293 56.287 -0.083 0.000 1.103 197 K CB 0.869 33.318 32.500 -0.085 0.000 0.848 197 K HN 0.112 nan 8.250 nan 0.000 0.528 198 L N 2.428 123.494 121.223 -0.262 0.000 3.713 198 L HA -0.292 4.047 4.340 -0.001 0.000 0.499 198 L C -0.462 176.187 176.870 -0.368 0.000 1.281 198 L CA 0.725 55.389 54.840 -0.294 0.000 0.796 198 L CB -1.914 40.110 42.059 -0.059 0.000 1.535 198 L HN 0.464 nan 8.230 nan 0.000 0.851 199 E N -1.613 118.115 120.200 -0.787 0.000 2.407 199 E HA 0.372 4.722 4.350 -0.001 0.000 0.279 199 E C -0.994 175.289 176.600 -0.530 0.000 1.012 199 E CA -1.146 54.977 56.400 -0.462 0.000 0.800 199 E CB 0.665 30.273 29.700 -0.154 0.000 1.276 199 E HN 0.157 nan 8.360 nan 0.000 0.452 200 W N 1.461 122.759 121.300 -0.002 0.000 2.223 200 W HA 0.147 4.806 4.660 -0.002 0.000 0.334 200 W C 0.267 176.761 176.519 -0.042 0.000 1.334 200 W CA 0.190 57.578 57.345 0.072 0.000 1.246 200 W CB 0.525 30.062 29.460 0.128 0.000 1.184 200 W HN 0.553 nan 8.180 nan 0.000 0.563 201 D N 2.472 122.998 120.400 0.209 0.000 2.325 201 D HA -0.033 4.606 4.640 -0.001 0.000 0.251 201 D C 1.211 177.556 176.300 0.076 0.000 1.196 201 D CA 0.010 54.057 54.000 0.079 0.000 0.866 201 D CB 1.030 41.852 40.800 0.036 0.000 1.101 201 D HN 0.274 nan 8.370 nan 0.000 0.476 202 Q N 2.490 122.319 119.800 0.049 0.000 2.167 202 Q HA -0.147 4.193 4.340 -0.001 0.000 0.202 202 Q C 1.197 177.198 176.000 0.001 0.000 0.970 202 Q CA 1.214 57.033 55.803 0.027 0.000 0.855 202 Q CB 0.193 28.944 28.738 0.022 0.000 0.911 202 Q HN 0.701 nan 8.270 nan 0.000 0.438 203 E N 0.076 120.273 120.200 -0.004 0.000 2.047 203 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 203 E C 2.097 178.670 176.600 -0.045 0.000 0.987 203 E CA 0.871 57.258 56.400 -0.022 0.000 0.799 203 E CB -0.065 29.624 29.700 -0.017 0.000 0.752 203 E HN 0.326 nan 8.360 nan 0.000 0.449 204 I N 1.078 121.625 120.570 -0.037 0.000 2.315 204 I HA -0.262 3.908 4.170 -0.001 0.000 0.248 204 I C 2.387 178.465 176.117 -0.064 0.000 1.117 204 I CA 0.856 62.121 61.300 -0.058 0.000 1.404 204 I CB -0.269 37.716 38.000 -0.024 0.000 1.071 204 I HN 0.119 nan 8.210 nan 0.000 0.419 205 L N 0.518 121.714 121.223 -0.045 0.000 1.994 205 L HA -0.255 4.084 4.340 -0.001 0.000 0.208 205 L C 2.152 178.979 176.870 -0.073 0.000 1.071 205 L CA 1.610 56.407 54.840 -0.071 0.000 0.745 205 L CB -0.700 41.322 42.059 -0.061 0.000 0.892 205 L HN 0.221 nan 8.230 nan 0.000 0.431 206 D N -0.250 120.117 120.400 -0.055 0.000 2.178 206 D HA -0.177 4.462 4.640 -0.001 0.000 0.201 206 D C 1.904 178.168 176.300 -0.060 0.000 0.980 206 D CA 0.831 54.800 54.000 -0.050 0.000 0.842 206 D CB -0.095 40.684 40.800 -0.035 0.000 0.948 206 D HN 0.113 nan 8.370 nan 0.000 0.472 207 L N -0.229 120.946 121.223 -0.079 0.000 2.217 207 L HA 0.052 4.391 4.340 -0.001 0.000 0.211 207 L C 1.397 178.210 176.870 -0.096 0.000 1.107 207 L CA 1.429 56.204 54.840 -0.108 0.000 0.783 207 L CB -0.074 41.872 42.059 -0.187 0.000 0.919 207 L HN 0.041 nan 8.230 nan 0.000 0.442 208 L N -0.496 120.673 121.223 -0.090 0.000 2.640 208 L HA 0.184 4.524 4.340 -0.001 0.000 0.230 208 L C 0.582 177.404 176.870 -0.080 0.000 1.123 208 L CA 0.146 54.938 54.840 -0.081 0.000 0.900 208 L CB -0.251 41.754 42.059 -0.090 0.000 1.146 208 L HN 0.407 nan 8.230 nan 0.000 0.484 209 N N 1.484 120.139 118.700 -0.076 0.000 2.740 209 N HA -0.227 4.512 4.740 -0.001 0.000 0.248 209 N C -0.622 174.834 175.510 -0.090 0.000 1.062 209 N CA 0.471 53.478 53.050 -0.072 0.000 0.704 209 N CB -1.260 37.190 38.487 -0.061 0.000 0.968 209 N HN 0.346 nan 8.380 nan 0.000 0.547 210 I N 0.749 121.253 120.570 -0.110 0.000 2.328 210 I HA 0.323 4.492 4.170 -0.001 0.000 0.287 210 I C -1.913 174.123 176.117 -0.134 0.000 1.012 210 I CA -2.050 59.164 61.300 -0.143 0.000 1.195 210 I CB 1.352 39.231 38.000 -0.203 0.000 1.350 210 I HN 0.008 nan 8.210 nan 0.000 0.464 211 P HA 0.009 nan 4.420 nan 0.000 0.264 211 P C 0.832 178.057 177.300 -0.125 0.000 1.193 211 P CA 0.004 63.043 63.100 -0.102 0.000 0.763 211 P CB 0.698 32.344 31.700 -0.090 0.000 0.810 212 S N 1.654 117.292 115.700 -0.103 0.000 2.419 212 S HA -0.187 4.283 4.470 -0.001 0.000 0.233 212 S C 1.788 176.324 174.600 -0.107 0.000 1.016 212 S CA 1.344 59.472 58.200 -0.119 0.000 0.974 212 S CB -1.335 61.834 63.200 -0.050 0.000 0.786 212 S HN 0.523 nan 8.310 nan 0.000 0.492 213 S N 1.821 117.476 115.700 -0.074 0.000 2.465 213 S HA -0.016 4.454 4.470 -0.001 0.000 0.241 213 S C 1.709 176.262 174.600 -0.079 0.000 1.000 213 S CA 1.129 59.297 58.200 -0.054 0.000 0.964 213 S CB -0.816 62.355 63.200 -0.047 0.000 0.763 213 S HN 0.586 nan 8.310 nan 0.000 0.512 214 M N 0.721 120.247 119.600 -0.122 0.000 2.419 214 M HA 0.248 4.727 4.480 -0.001 0.000 0.264 214 M C 0.113 176.377 176.300 -0.059 0.000 1.082 214 M CA 0.450 55.664 55.300 -0.143 0.000 1.119 214 M CB -0.324 32.188 32.600 -0.148 0.000 1.398 214 M HN 0.273 nan 8.290 nan 0.000 0.453 215 L N 2.572 123.721 121.223 -0.123 0.000 2.380 215 L HA 0.230 4.569 4.340 -0.001 0.000 0.273 215 L C -1.965 174.915 176.870 0.017 0.000 1.138 215 L CA -1.851 52.870 54.840 -0.199 0.000 0.832 215 L CB -0.289 41.313 42.059 -0.761 0.000 1.124 215 L HN -0.092 nan 8.230 nan 0.000 0.454 216 P HA 0.123 nan 4.420 nan 0.000 0.278 216 P C -0.965 176.414 177.300 0.132 0.000 1.266 216 P CA -0.648 62.245 63.100 -0.345 0.000 0.807 216 P CB 0.934 32.132 31.700 -0.836 0.000 1.094 217 E N 0.097 120.319 120.200 0.037 0.000 2.313 217 E HA 0.261 4.610 4.350 -0.001 0.000 0.276 217 E C -0.915 175.683 176.600 -0.003 0.000 1.031 217 E CA -0.644 55.815 56.400 0.098 0.000 0.857 217 E CB 0.666 30.402 29.700 0.061 0.000 1.040 217 E HN 0.088 nan 8.360 nan 0.000 0.408 218 V N 5.484 125.363 119.914 -0.058 0.000 2.350 218 V HA 0.302 4.421 4.120 -0.001 0.000 0.276 218 V C 0.080 175.982 176.094 -0.320 0.000 1.028 218 V CA -0.357 61.785 62.300 -0.264 0.000 0.860 218 V CB 1.052 32.594 31.823 -0.468 0.000 0.990 218 V HN 0.673 nan 8.190 nan 0.000 0.453 219 K N 2.066 122.228 120.400 -0.396 0.000 2.331 219 K HA 0.639 4.958 4.320 -0.001 0.000 0.238 219 K C 0.272 176.480 176.600 -0.654 0.000 1.058 219 K CA -0.643 55.414 56.287 -0.384 0.000 0.871 219 K CB 1.896 34.369 32.500 -0.044 0.000 1.292 219 K HN 0.712 nan 8.250 nan 0.000 0.470 220 S N -0.302 115.156 115.700 -0.403 0.000 2.606 220 S HA 0.068 4.537 4.470 -0.001 0.000 0.257 220 S C 0.611 175.205 174.600 -0.010 0.000 1.327 220 S CA -0.308 57.751 58.200 -0.236 0.000 0.984 220 S CB 0.327 63.547 63.200 0.032 0.000 0.941 220 S HN 0.564 nan 8.310 nan 0.000 0.576 221 N N 0.030 118.772 118.700 0.069 0.000 2.422 221 N HA 0.030 4.769 4.740 -0.001 0.000 0.181 221 N C -0.132 175.402 175.510 0.040 0.000 1.080 221 N CA 0.428 53.523 53.050 0.076 0.000 0.893 221 N CB 0.347 38.851 38.487 0.028 0.000 0.973 221 N HN 0.557 nan 8.380 nan 0.000 0.456 222 S N 0.820 116.510 115.700 -0.018 0.000 2.524 222 S HA 0.247 4.716 4.470 -0.001 0.000 0.227 222 S C -1.218 173.281 174.600 -0.169 0.000 1.304 222 S CA -0.633 57.510 58.200 -0.095 0.000 1.185 222 S CB 0.081 63.236 63.200 -0.074 0.000 1.104 222 S HN 0.367 nan 8.310 nan 0.000 0.475 223 E N 1.115 121.081 120.200 -0.389 0.000 2.389 223 E HA 0.275 4.624 4.350 -0.001 0.000 0.281 223 E C -1.692 174.477 176.600 -0.718 0.000 1.111 223 E CA -1.126 55.025 56.400 -0.415 0.000 0.869 223 E CB 0.463 29.988 29.700 -0.292 0.000 1.259 223 E HN 0.171 nan 8.360 nan 0.000 0.434 224 V N 3.333 122.975 119.914 -0.454 0.000 2.421 224 V HA -0.005 4.114 4.120 -0.001 0.000 0.271 224 V C 0.149 175.990 176.094 -0.422 0.000 1.031 224 V CA 0.429 62.464 62.300 -0.441 0.000 1.032 224 V CB -0.888 30.768 31.823 -0.278 0.000 1.009 224 V HN 0.653 nan 8.190 nan 0.000 0.477 225 Y N 3.594 123.805 120.300 -0.149 0.000 2.475 225 Y HA 0.412 4.961 4.550 -0.002 0.000 0.289 225 Y C 1.560 177.378 175.900 -0.136 0.000 1.121 225 Y CA 0.638 58.666 58.100 -0.121 0.000 1.257 225 Y CB 0.387 38.785 38.460 -0.104 0.000 1.026 225 Y HN 0.790 nan 8.280 nan 0.000 0.555 226 G N -1.624 107.104 108.800 -0.121 0.000 2.344 226 G HA2 0.162 4.121 3.960 -0.001 0.000 0.282 226 G HA3 0.162 4.121 3.960 -0.001 0.000 0.282 226 G C -1.943 172.700 174.900 -0.427 0.000 1.281 226 G CA -0.994 43.993 45.100 -0.188 0.000 0.877 226 G HN 0.039 nan 8.290 nan 0.000 0.494 227 H N 0.080 119.118 119.070 -0.053 0.000 2.690 227 H HA 0.609 5.165 4.556 -0.001 0.000 0.368 227 H C 0.287 175.549 175.328 -0.109 0.000 1.150 227 H CA 0.242 56.240 56.048 -0.082 0.000 1.174 227 H CB 1.863 31.583 29.762 -0.069 0.000 1.684 227 H HN 0.853 nan 8.280 nan 0.000 0.538 228 T N 0.539 115.076 114.554 -0.028 0.000 2.802 228 T HA 0.226 4.575 4.350 -0.001 0.000 0.305 228 T C 0.652 175.299 174.700 -0.089 0.000 1.053 228 T CA -0.891 61.160 62.100 -0.082 0.000 1.058 228 T CB 0.860 69.669 68.868 -0.098 0.000 0.988 228 T HN 0.291 nan 8.240 nan 0.000 0.539 229 R N 1.598 121.976 120.500 -0.203 0.000 2.349 229 R HA 0.283 4.623 4.340 -0.001 0.000 0.299 229 R C 1.964 178.075 176.300 -0.316 0.000 1.027 229 R CA 0.086 55.954 56.100 -0.387 0.000 0.958 229 R CB 1.165 30.954 30.300 -0.851 0.000 1.047 229 R HN 1.033 nan 8.270 nan 0.000 0.468 230 S N 2.962 118.550 115.700 -0.188 0.000 2.372 230 S HA -0.280 4.189 4.470 -0.001 0.000 0.227 230 S C 1.717 176.327 174.600 0.017 0.000 1.044 230 S CA 1.973 60.162 58.200 -0.019 0.000 1.050 230 S CB -0.756 62.465 63.200 0.036 0.000 0.901 230 S HN 0.766 nan 8.310 nan 0.000 0.447 231 Y N 0.630 120.968 120.300 0.063 0.000 2.632 231 Y HA 0.433 4.983 4.550 -0.001 0.000 0.301 231 Y C 2.058 178.020 175.900 0.102 0.000 1.172 231 Y CA -0.180 57.953 58.100 0.054 0.000 1.328 231 Y CB -0.273 38.203 38.460 0.028 0.000 1.016 231 Y HN 0.061 nan 8.280 nan 0.000 0.529 232 R N -0.377 120.111 120.500 -0.019 0.000 2.335 232 R HA 0.187 4.526 4.340 -0.001 0.000 0.210 232 R C -0.633 175.853 176.300 0.310 0.000 0.892 232 R CA 0.029 56.222 56.100 0.155 0.000 1.048 232 R CB 0.036 30.345 30.300 0.015 0.000 1.067 232 R HN 0.430 nan 8.270 nan 0.000 0.524 233 F N 0.563 120.559 119.950 0.078 0.000 2.523 233 F HA 0.200 4.725 4.527 -0.003 0.000 0.322 233 F C -0.369 175.555 175.800 0.207 0.000 1.361 233 F CA -0.925 57.165 58.000 0.150 0.000 1.151 233 F CB 0.029 39.101 39.000 0.120 0.000 1.391 233 F HN 0.088 nan 8.300 nan 0.000 0.566 234 Y N 2.499 122.658 120.300 -0.235 0.000 3.305 234 Y HA -0.319 4.231 4.550 -0.001 0.000 0.214 234 Y C 1.240 176.988 175.900 -0.253 0.000 1.185 234 Y CA 1.169 59.077 58.100 -0.320 0.000 1.326 234 Y CB -0.778 37.324 38.460 -0.598 0.000 1.367 234 Y HN 0.821 nan 8.280 nan 0.000 0.588 235 G N -1.490 107.276 108.800 -0.056 0.000 2.284 235 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.216 235 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.216 235 G C 0.214 175.131 174.900 0.027 0.000 1.009 235 G CA 0.203 45.273 45.100 -0.051 0.000 0.625 235 G HN 1.344 nan 8.290 nan 0.000 0.501 236 S N -0.722 115.045 115.700 0.111 0.000 2.851 236 S HA 0.757 5.226 4.470 -0.001 0.000 0.317 236 S C -0.899 173.797 174.600 0.159 0.000 1.144 236 S CA -0.646 57.629 58.200 0.124 0.000 0.862 236 S CB 2.208 65.477 63.200 0.115 0.000 1.259 236 S HN 0.270 nan 8.310 nan 0.000 0.564 237 E N 0.568 120.822 120.200 0.090 0.000 2.055 237 E HA 0.575 4.924 4.350 -0.001 0.000 0.274 237 E C -1.353 175.287 176.600 0.068 0.000 0.949 237 E CA -0.576 55.854 56.400 0.050 0.000 0.775 237 E CB 1.600 31.287 29.700 -0.022 0.000 1.097 237 E HN 0.378 nan 8.360 nan 0.000 0.404 238 V N 4.974 124.898 119.914 0.017 0.000 2.628 238 V HA 0.384 4.504 4.120 -0.001 0.000 0.306 238 V C -2.193 173.877 176.094 -0.039 0.000 1.045 238 V CA -2.212 60.066 62.300 -0.036 0.000 0.905 238 V CB 1.919 33.588 31.823 -0.256 0.000 0.997 238 V HN 0.577 nan 8.190 nan 0.000 0.436 239 P HA 0.302 nan 4.420 nan 0.000 0.276 239 P C -0.739 176.435 177.300 -0.210 0.000 1.235 239 P CA 0.039 63.020 63.100 -0.198 0.000 0.772 239 P CB 0.781 32.392 31.700 -0.149 0.000 0.871 240 I N 3.089 123.530 120.570 -0.216 0.000 2.291 240 I HA 0.265 4.435 4.170 -0.001 0.000 0.292 240 I C 1.183 177.243 176.117 -0.095 0.000 1.064 240 I CA -0.145 61.100 61.300 -0.092 0.000 1.269 240 I CB 0.887 38.880 38.000 -0.012 0.000 1.418 240 I HN 0.367 nan 8.210 nan 0.000 0.485 241 A N 5.047 127.799 122.820 -0.112 0.000 2.571 241 A HA 0.665 4.984 4.320 -0.001 0.000 0.274 241 A C 0.618 178.097 177.584 -0.176 0.000 1.196 241 A CA -0.113 51.771 52.037 -0.256 0.000 0.957 241 A CB 0.369 19.253 19.000 -0.194 0.000 1.150 241 A HN 0.713 nan 8.150 nan 0.000 0.539 242 G N -0.282 108.570 108.800 0.087 0.000 2.766 242 G HA2 0.579 4.538 3.960 -0.001 0.000 0.297 242 G HA3 0.579 4.538 3.960 -0.001 0.000 0.297 242 G C -1.204 173.841 174.900 0.243 0.000 1.431 242 G CA -0.415 44.773 45.100 0.147 0.000 1.042 242 G HN 0.081 nan 8.290 nan 0.000 0.542 243 M N 0.593 120.311 119.600 0.196 0.000 2.413 243 M HA 0.727 5.207 4.480 -0.001 0.000 0.287 243 M C -0.583 175.717 176.300 0.000 0.000 1.186 243 M CA -0.523 54.803 55.300 0.045 0.000 0.927 243 M CB 2.797 35.317 32.600 -0.135 0.000 1.715 243 M HN 1.122 nan 8.290 nan 0.000 0.478 244 A N 1.132 123.944 122.820 -0.014 0.000 2.583 244 A HA 0.771 5.091 4.320 -0.001 0.000 0.292 244 A C -0.696 176.885 177.584 -0.005 0.000 1.045 244 A CA -0.464 51.567 52.037 -0.010 0.000 0.672 244 A CB 0.859 19.851 19.000 -0.014 0.000 1.283 244 A HN 0.965 nan 8.150 nan 0.000 0.419 245 G N 0.259 109.056 108.800 -0.005 0.000 2.544 245 G HA2 0.387 4.346 3.960 -0.001 0.000 0.242 245 G HA3 0.387 4.346 3.960 -0.001 0.000 0.242 245 G C 0.585 175.472 174.900 -0.021 0.000 1.247 245 G CA 0.552 45.640 45.100 -0.020 0.000 0.840 245 G HN 0.985 nan 8.290 nan 0.000 0.578 246 D N 0.855 121.234 120.400 -0.036 0.000 2.158 246 D HA -0.205 4.435 4.640 -0.001 0.000 0.197 246 D C 1.778 178.058 176.300 -0.034 0.000 0.995 246 D CA 1.353 55.338 54.000 -0.024 0.000 0.846 246 D CB -0.110 40.677 40.800 -0.023 0.000 0.941 246 D HN 0.357 nan 8.370 nan 0.000 0.456 247 Q N -0.110 119.634 119.800 -0.094 0.000 2.172 247 Q HA -0.032 4.307 4.340 -0.001 0.000 0.200 247 Q C 2.226 178.240 176.000 0.023 0.000 0.964 247 Q CA 1.018 56.785 55.803 -0.061 0.000 0.855 247 Q CB -0.303 28.340 28.738 -0.159 0.000 0.918 247 Q HN 0.471 nan 8.270 nan 0.000 0.444 248 Q N 0.202 120.026 119.800 0.040 0.000 2.187 248 Q HA 0.087 4.427 4.340 -0.001 0.000 0.199 248 Q C 1.887 177.965 176.000 0.130 0.000 0.957 248 Q CA 1.267 57.141 55.803 0.117 0.000 0.857 248 Q CB -0.167 28.648 28.738 0.128 0.000 0.929 248 Q HN 0.390 nan 8.270 nan 0.000 0.453 249 A N 0.326 123.189 122.820 0.072 0.000 2.014 249 A HA 0.034 4.354 4.320 -0.001 0.000 0.218 249 A C 2.145 179.783 177.584 0.090 0.000 1.163 249 A CA 1.329 53.409 52.037 0.071 0.000 0.652 249 A CB -0.587 18.433 19.000 0.034 0.000 0.808 249 A HN 0.354 nan 8.150 nan 0.000 0.449 250 A N -0.530 122.328 122.820 0.062 0.000 1.968 250 A HA 0.085 4.404 4.320 -0.001 0.000 0.217 250 A C 2.051 179.657 177.584 0.036 0.000 1.169 250 A CA 1.440 53.501 52.037 0.040 0.000 0.638 250 A CB -0.475 18.547 19.000 0.037 0.000 0.812 250 A HN 0.582 nan 8.150 nan 0.000 0.446 251 L N -1.831 119.437 121.223 0.075 0.000 2.056 251 L HA -0.036 4.304 4.340 -0.001 0.000 0.207 251 L C 2.138 179.014 176.870 0.010 0.000 1.078 251 L CA 1.923 56.804 54.840 0.067 0.000 0.749 251 L CB -0.643 41.514 42.059 0.163 0.000 0.901 251 L HN 0.373 nan 8.230 nan 0.000 0.433 252 F N 0.206 120.096 119.950 -0.101 0.000 2.186 252 F HA -0.005 4.522 4.527 -0.001 0.000 0.299 252 F C 2.225 177.959 175.800 -0.110 0.000 1.090 252 F CA 1.495 59.398 58.000 -0.162 0.000 1.307 252 F CB -0.728 38.185 39.000 -0.146 0.000 1.019 252 F HN 0.153 nan 8.300 nan 0.000 0.489 253 G N -1.247 107.569 108.800 0.027 0.000 2.534 253 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.217 253 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.217 253 G C 1.377 176.212 174.900 -0.108 0.000 1.128 253 G CA 0.181 45.249 45.100 -0.053 0.000 0.784 253 G HN 0.283 nan 8.290 nan 0.000 0.542 254 Q N -0.515 119.183 119.800 -0.169 0.000 2.360 254 Q HA 0.232 4.571 4.340 -0.001 0.000 0.202 254 Q C 1.106 176.894 176.000 -0.354 0.000 0.915 254 Q CA -0.153 55.542 55.803 -0.181 0.000 0.943 254 Q CB -0.016 28.646 28.738 -0.126 0.000 1.064 254 Q HN 0.570 nan 8.270 nan 0.000 0.511 255 M N -0.461 118.758 119.600 -0.635 0.000 2.461 255 M HA -0.235 4.244 4.480 -0.001 0.000 0.203 255 M C -0.024 175.530 176.300 -1.243 0.000 0.428 255 M CA 0.626 55.103 55.300 -1.370 0.000 0.509 255 M CB -1.648 30.485 32.600 -0.778 0.000 1.851 255 M HN 0.122 nan 8.290 nan 0.000 0.834 256 A N -0.272 122.076 122.820 -0.785 0.000 3.077 256 A HA 0.441 4.760 4.320 -0.001 0.000 0.255 256 A C 0.583 178.016 177.584 -0.251 0.000 1.728 256 A CA -0.327 51.486 52.037 -0.373 0.000 1.383 256 A CB -0.793 18.116 19.000 -0.150 0.000 1.097 256 A HN 0.502 nan 8.150 nan 0.000 0.634 257 F N 0.341 120.238 119.950 -0.087 0.000 2.558 257 F HA 0.076 4.602 4.527 -0.002 0.000 0.298 257 F C 1.127 176.920 175.800 -0.012 0.000 1.119 257 F CA 0.367 58.326 58.000 -0.068 0.000 1.451 257 F CB -0.121 38.769 39.000 -0.182 0.000 1.091 257 F HN 0.412 nan 8.300 nan 0.000 0.563 258 E N 0.240 120.529 120.200 0.147 0.000 2.235 258 E HA 0.214 4.563 4.350 -0.001 0.000 0.265 258 E C -0.327 176.342 176.600 0.115 0.000 0.940 258 E CA -1.125 55.354 56.400 0.133 0.000 0.819 258 E CB 1.696 31.456 29.700 0.100 0.000 1.206 258 E HN -0.088 nan 8.360 nan 0.000 0.409 259 K N 0.341 120.817 120.400 0.127 0.000 2.524 259 K HA -0.021 4.298 4.320 -0.001 0.000 0.279 259 K C 0.774 177.417 176.600 0.073 0.000 0.993 259 K CA 1.374 57.726 56.287 0.108 0.000 1.030 259 K CB 0.037 32.599 32.500 0.103 0.000 0.891 259 K HN 0.775 nan 8.250 nan 0.000 0.488 260 G N 3.242 112.081 108.800 0.065 0.000 2.253 260 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.251 260 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.251 260 G C 0.172 175.092 174.900 0.034 0.000 0.998 260 G CA 0.248 45.375 45.100 0.045 0.000 0.621 260 G HN 0.571 nan 8.290 nan 0.000 0.524 261 M N 0.897 120.517 119.600 0.034 0.000 2.219 261 M HA 0.589 5.069 4.480 -0.001 0.000 0.353 261 M C 0.309 176.618 176.300 0.015 0.000 1.304 261 M CA 0.402 55.707 55.300 0.010 0.000 1.115 261 M CB 1.173 33.764 32.600 -0.014 0.000 1.664 261 M HN 0.347 nan 8.290 nan 0.000 0.459 262 I N 3.665 124.237 120.570 0.004 0.000 2.828 262 I HA 0.657 4.826 4.170 -0.001 0.000 0.302 262 I C -1.274 174.842 176.117 -0.003 0.000 1.101 262 I CA -0.747 60.559 61.300 0.010 0.000 1.031 262 I CB 2.053 40.061 38.000 0.013 0.000 1.231 262 I HN 0.710 nan 8.210 nan 0.000 0.427 263 K N 3.942 124.342 120.400 0.000 0.000 2.533 263 K HA 0.547 4.866 4.320 -0.001 0.000 0.272 263 K C -1.723 174.855 176.600 -0.037 0.000 0.985 263 K CA -0.763 55.517 56.287 -0.013 0.000 0.876 263 K CB 1.242 33.735 32.500 -0.012 0.000 1.452 263 K HN 0.386 nan 8.250 nan 0.000 0.439 264 N N -0.027 118.626 118.700 -0.078 0.000 2.295 264 N HA 0.478 5.217 4.740 -0.001 0.000 0.293 264 N C -1.577 173.762 175.510 -0.284 0.000 1.040 264 N CA -0.356 52.558 53.050 -0.226 0.000 0.840 264 N CB 2.252 40.544 38.487 -0.325 0.000 1.468 264 N HN 0.701 nan 8.380 nan 0.000 0.478 265 T N 3.322 117.706 114.554 -0.284 0.000 2.786 265 T HA 0.368 4.717 4.350 -0.001 0.000 0.283 265 T C -0.861 173.694 174.700 -0.241 0.000 0.992 265 T CA -0.230 61.783 62.100 -0.145 0.000 0.954 265 T CB 0.236 69.126 68.868 0.037 0.000 0.934 265 T HN 0.236 nan 8.240 nan 0.000 0.440 266 Y N 2.158 122.494 120.300 0.060 0.000 2.434 266 Y HA 0.614 5.163 4.550 -0.001 0.000 0.341 266 Y C 0.946 176.895 175.900 0.082 0.000 0.965 266 Y CA -0.357 57.769 58.100 0.042 0.000 1.205 266 Y CB 1.053 39.516 38.460 0.005 0.000 1.121 266 Y HN 0.890 nan 8.280 nan 0.000 0.507 267 G N 0.392 109.327 108.800 0.226 0.000 3.137 267 G HA2 0.118 4.077 3.960 -0.001 0.000 0.196 267 G HA3 0.118 4.077 3.960 -0.001 0.000 0.196 267 G C 0.685 175.733 174.900 0.246 0.000 1.135 267 G CA -0.277 44.961 45.100 0.229 0.000 0.803 267 G HN 0.298 nan 8.290 nan 0.000 0.619 268 T N 0.371 115.110 114.554 0.309 0.000 2.685 268 T HA 0.067 4.416 4.350 -0.001 0.000 0.268 268 T C 1.211 176.127 174.700 0.360 0.000 1.034 268 T CA 1.955 64.271 62.100 0.361 0.000 1.149 268 T CB -0.517 68.659 68.868 0.513 0.000 0.860 268 T HN 0.784 nan 8.240 nan 0.000 0.449 269 G N -0.714 108.308 108.800 0.369 0.000 3.013 269 G HA2 0.683 4.643 3.960 -0.001 0.000 0.278 269 G HA3 0.683 4.643 3.960 -0.001 0.000 0.278 269 G C -1.641 173.139 174.900 -0.200 0.000 1.353 269 G CA -0.327 44.813 45.100 0.067 0.000 1.043 269 G HN 0.427 nan 8.290 nan 0.000 0.523 270 A N -0.552 121.887 122.820 -0.635 0.000 2.343 270 A HA 0.782 5.101 4.320 -0.001 0.000 0.308 270 A C -1.664 175.371 177.584 -0.915 0.000 1.092 270 A CA -0.539 51.167 52.037 -0.551 0.000 0.751 270 A CB 0.728 19.510 19.000 -0.364 0.000 1.203 270 A HN 0.483 nan 8.150 nan 0.000 0.452 271 F N 2.377 122.218 119.950 -0.183 0.000 2.507 271 F HA 0.500 5.027 4.527 -0.001 0.000 0.328 271 F C -0.000 175.722 175.800 -0.129 0.000 1.136 271 F CA -0.468 57.457 58.000 -0.125 0.000 0.930 271 F CB 1.815 40.773 39.000 -0.070 0.000 1.166 271 F HN 0.368 nan 8.300 nan 0.000 0.436 272 I N 4.592 125.174 120.570 0.020 0.000 2.304 272 I HA 0.440 4.609 4.170 -0.001 0.000 0.291 272 I C -0.769 175.391 176.117 0.071 0.000 1.018 272 I CA -0.773 60.526 61.300 -0.002 0.000 1.260 272 I CB 1.119 39.095 38.000 -0.039 0.000 1.390 272 I HN 0.233 nan 8.210 nan 0.000 0.475 273 V N 7.398 127.352 119.914 0.067 0.000 2.540 273 V HA 0.464 4.584 4.120 -0.001 0.000 0.302 273 V C -0.238 175.900 176.094 0.073 0.000 1.035 273 V CA -0.603 61.751 62.300 0.090 0.000 0.873 273 V CB 2.033 33.918 31.823 0.103 0.000 0.992 273 V HN 0.719 nan 8.190 nan 0.000 0.428 274 M N 4.406 124.056 119.600 0.084 0.000 2.253 274 M HA 0.507 4.986 4.480 -0.001 0.000 0.314 274 M C -0.531 175.827 176.300 0.097 0.000 1.019 274 M CA -0.495 54.850 55.300 0.075 0.000 0.932 274 M CB 1.473 34.110 32.600 0.063 0.000 1.606 274 M HN 0.723 nan 8.290 nan 0.000 0.430 275 N N 2.307 121.069 118.700 0.102 0.000 2.483 275 N HA 0.083 4.822 4.740 -0.001 0.000 0.264 275 N C 0.278 175.862 175.510 0.123 0.000 1.197 275 N CA 0.658 53.785 53.050 0.129 0.000 0.927 275 N CB 1.077 39.651 38.487 0.145 0.000 1.065 275 N HN 0.810 nan 8.380 nan 0.000 0.461 276 T N 0.044 114.682 114.554 0.140 0.000 3.040 276 T HA 0.411 4.760 4.350 -0.001 0.000 0.266 276 T C 0.886 175.671 174.700 0.142 0.000 1.005 276 T CA 0.239 62.414 62.100 0.125 0.000 0.906 276 T CB -0.079 68.855 68.868 0.109 0.000 1.082 276 T HN 0.719 nan 8.240 nan 0.000 0.531 277 G N 2.015 110.933 108.800 0.198 0.000 2.627 277 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.214 277 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.214 277 G C 0.112 175.077 174.900 0.109 0.000 1.331 277 G CA -0.157 45.066 45.100 0.204 0.000 0.891 277 G HN 0.253 nan 8.290 nan 0.000 0.539 278 E N 0.982 121.160 120.200 -0.037 0.000 2.478 278 E HA 0.116 4.465 4.350 -0.001 0.000 0.198 278 E C 0.313 176.972 176.600 0.097 0.000 1.046 278 E CA 1.406 57.727 56.400 -0.131 0.000 0.870 278 E CB 0.007 29.572 29.700 -0.225 0.000 0.818 278 E HN 0.558 nan 8.360 nan 0.000 0.527 279 E N -0.940 119.313 120.200 0.088 0.000 2.308 279 E HA 0.166 4.515 4.350 -0.001 0.000 0.275 279 E C -2.306 174.225 176.600 -0.115 0.000 0.890 279 E CA -2.368 54.010 56.400 -0.038 0.000 0.754 279 E CB 1.203 30.872 29.700 -0.053 0.000 1.207 279 E HN -0.288 nan 8.360 nan 0.000 0.426 280 P HA -0.241 nan 4.420 nan 0.000 0.213 280 P C 0.087 177.326 177.300 -0.101 0.000 1.170 280 P CA 1.270 64.231 63.100 -0.231 0.000 0.893 280 P CB 0.134 31.637 31.700 -0.329 0.000 0.784 281 Q N -0.248 119.487 119.800 -0.108 0.000 2.443 281 Q HA -0.147 4.192 4.340 -0.001 0.000 0.337 281 Q C -0.625 175.354 176.000 -0.035 0.000 1.401 281 Q CA 0.490 56.255 55.803 -0.063 0.000 0.943 281 Q CB -1.978 26.733 28.738 -0.044 0.000 1.177 281 Q HN 0.453 nan 8.270 nan 0.000 0.394 282 L N -2.738 118.466 121.223 -0.032 0.000 3.118 282 L HA 0.656 4.995 4.340 -0.001 0.000 0.269 282 L C -0.869 176.004 176.870 0.006 0.000 0.984 282 L CA -0.660 54.176 54.840 -0.007 0.000 1.013 282 L CB 0.709 42.773 42.059 0.007 0.000 1.521 282 L HN 0.232 nan 8.230 nan 0.000 0.400 283 S N -0.595 115.118 115.700 0.022 0.000 2.586 283 S HA 0.535 5.004 4.470 -0.001 0.000 0.274 283 S C -0.201 174.435 174.600 0.060 0.000 1.281 283 S CA 0.178 58.404 58.200 0.043 0.000 1.035 283 S CB 1.151 64.373 63.200 0.037 0.000 0.962 283 S HN 0.831 nan 8.310 nan 0.000 0.512 284 D N 0.108 120.564 120.400 0.095 0.000 2.788 284 D HA 0.095 4.735 4.640 -0.001 0.000 0.289 284 D C -0.172 176.181 176.300 0.089 0.000 1.340 284 D CA -0.648 53.415 54.000 0.106 0.000 0.831 284 D CB -0.994 39.893 40.800 0.145 0.000 1.103 284 D HN 0.507 nan 8.370 nan 0.000 0.476 285 N N 1.803 120.539 118.700 0.060 0.000 2.365 285 N HA -0.072 4.667 4.740 -0.001 0.000 0.265 285 N C 0.079 175.630 175.510 0.068 0.000 1.288 285 N CA 0.949 54.019 53.050 0.034 0.000 0.869 285 N CB 0.178 38.683 38.487 0.031 0.000 1.071 285 N HN 0.092 nan 8.380 nan 0.000 0.480 286 D N 0.343 120.789 120.400 0.076 0.000 3.028 286 D HA -0.207 4.432 4.640 -0.001 0.000 0.207 286 D C -0.505 176.022 176.300 0.379 0.000 1.100 286 D CA 0.995 55.127 54.000 0.219 0.000 0.995 286 D CB -1.345 39.551 40.800 0.161 0.000 1.108 286 D HN 0.396 nan 8.370 nan 0.000 0.421 287 L N -0.623 120.748 121.223 0.246 0.000 2.277 287 L HA 0.633 4.972 4.340 -0.001 0.000 0.254 287 L C 0.194 177.202 176.870 0.231 0.000 1.044 287 L CA -1.176 53.851 54.840 0.312 0.000 0.842 287 L CB 1.547 43.729 42.059 0.206 0.000 1.422 287 L HN -0.210 nan 8.230 nan 0.000 0.422 288 L N -0.185 121.205 121.223 0.278 0.000 2.331 288 L HA 0.594 4.934 4.340 -0.001 0.000 0.275 288 L C -0.569 176.401 176.870 0.167 0.000 1.022 288 L CA -0.440 54.526 54.840 0.210 0.000 0.812 288 L CB 1.987 44.224 42.059 0.296 0.000 1.257 288 L HN 0.498 nan 8.230 nan 0.000 0.435 289 T N 0.763 115.385 114.554 0.114 0.000 2.792 289 T HA 0.624 4.973 4.350 -0.001 0.000 0.280 289 T C -0.082 174.658 174.700 0.068 0.000 0.990 289 T CA -0.577 61.573 62.100 0.083 0.000 0.960 289 T CB 1.532 70.413 68.868 0.021 0.000 0.939 289 T HN 0.815 nan 8.240 nan 0.000 0.439 290 T N 0.125 114.746 114.554 0.111 0.000 2.778 290 T HA 0.723 5.072 4.350 -0.001 0.000 0.293 290 T C -0.525 174.247 174.700 0.119 0.000 1.144 290 T CA -0.917 61.239 62.100 0.093 0.000 1.010 290 T CB 0.822 69.737 68.868 0.079 0.000 1.325 290 T HN 0.416 nan 8.240 nan 0.000 0.515 291 I N 1.388 121.969 120.570 0.018 0.000 2.365 291 I HA 0.430 4.599 4.170 -0.001 0.000 0.291 291 I C 1.571 177.651 176.117 -0.062 0.000 1.004 291 I CA -0.445 60.771 61.300 -0.140 0.000 1.311 291 I CB 1.482 39.361 38.000 -0.202 0.000 1.401 291 I HN 1.027 nan 8.210 nan 0.000 0.491 292 G N 6.087 114.817 108.800 -0.116 0.000 2.417 292 G HA2 0.014 3.973 3.960 -0.001 0.000 0.212 292 G HA3 0.014 3.973 3.960 -0.001 0.000 0.212 292 G C -0.209 174.777 174.900 0.145 0.000 1.187 292 G CA 0.732 45.844 45.100 0.020 0.000 0.804 292 G HN 0.686 nan 8.290 nan 0.000 0.534 293 Y N -3.618 116.716 120.300 0.057 0.000 2.717 293 Y HA 0.558 5.107 4.550 -0.002 0.000 0.345 293 Y C -0.508 175.472 175.900 0.133 0.000 1.187 293 Y CA -1.529 56.611 58.100 0.067 0.000 1.128 293 Y CB 0.484 38.940 38.460 -0.005 0.000 1.360 293 Y HN 0.293 nan 8.280 nan 0.000 0.467 294 G N 1.926 110.953 108.800 0.378 0.000 2.557 294 G HA2 0.703 4.662 3.960 -0.001 0.000 0.310 294 G HA3 0.703 4.662 3.960 -0.001 0.000 0.310 294 G C -1.243 173.865 174.900 0.347 0.000 1.328 294 G CA -0.811 44.506 45.100 0.361 0.000 0.945 294 G HN 1.310 nan 8.290 nan 0.000 0.494 295 I N -0.826 119.951 120.570 0.345 0.000 2.908 295 I HA 0.530 4.699 4.170 -0.001 0.000 0.300 295 I C -0.304 175.951 176.117 0.230 0.000 1.385 295 I CA -1.225 60.221 61.300 0.243 0.000 1.004 295 I CB 2.331 40.459 38.000 0.213 0.000 1.309 295 I HN 0.417 nan 8.210 nan 0.000 0.449 296 N N 3.052 121.838 118.700 0.144 0.000 2.725 296 N HA -0.195 4.544 4.740 -0.001 0.000 0.249 296 N C 0.975 176.547 175.510 0.102 0.000 1.103 296 N CA 1.621 54.740 53.050 0.115 0.000 0.707 296 N CB -1.340 37.226 38.487 0.132 0.000 1.043 296 N HN 1.644 nan 8.380 nan 0.000 0.553 297 G N -1.766 107.092 108.800 0.097 0.000 2.184 297 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.264 297 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.264 297 G C 0.180 175.103 174.900 0.039 0.000 0.975 297 G CA 1.181 46.322 45.100 0.068 0.000 0.642 297 G HN 0.468 nan 8.290 nan 0.000 0.536 298 K N -0.700 119.731 120.400 0.052 0.000 2.280 298 K HA 0.825 5.144 4.320 -0.001 0.000 0.234 298 K C -0.450 176.063 176.600 -0.144 0.000 1.028 298 K CA -0.848 55.388 56.287 -0.085 0.000 0.882 298 K CB 2.403 34.810 32.500 -0.155 0.000 1.194 298 K HN 0.230 nan 8.250 nan 0.000 0.458 299 V N 1.852 121.521 119.914 -0.408 0.000 2.569 299 V HA 0.307 4.426 4.120 -0.001 0.000 0.301 299 V C -1.553 174.101 176.094 -0.733 0.000 1.044 299 V CA -0.870 61.124 62.300 -0.510 0.000 0.874 299 V CB 1.142 32.584 31.823 -0.636 0.000 1.002 299 V HN 0.553 nan 8.190 nan 0.000 0.424 300 Y N 3.997 123.959 120.300 -0.563 0.000 2.341 300 Y HA 0.642 5.191 4.550 -0.002 0.000 0.337 300 Y C -0.122 175.434 175.900 -0.574 0.000 1.014 300 Y CA -0.522 57.274 58.100 -0.507 0.000 1.111 300 Y CB 1.305 39.382 38.460 -0.639 0.000 1.194 300 Y HN 0.533 nan 8.280 nan 0.000 0.462 301 Y N 1.305 121.555 120.300 -0.085 0.000 2.458 301 Y HA 0.742 5.292 4.550 -0.001 0.000 0.322 301 Y C 0.248 176.143 175.900 -0.009 0.000 1.259 301 Y CA -0.846 57.213 58.100 -0.068 0.000 1.302 301 Y CB 1.318 39.736 38.460 -0.071 0.000 1.314 301 Y HN 0.619 nan 8.280 nan 0.000 0.509 302 A N 1.134 124.066 122.820 0.185 0.000 2.566 302 A HA 0.735 5.054 4.320 -0.001 0.000 0.292 302 A C -2.004 175.663 177.584 0.138 0.000 1.112 302 A CA -0.792 51.330 52.037 0.142 0.000 0.707 302 A CB 1.452 20.526 19.000 0.124 0.000 1.302 302 A HN 0.716 nan 8.150 nan 0.000 0.409 303 L N 1.082 122.379 121.223 0.123 0.000 2.313 303 L HA 0.579 4.918 4.340 -0.001 0.000 0.283 303 L C -0.306 176.646 176.870 0.137 0.000 1.013 303 L CA -0.216 54.697 54.840 0.122 0.000 0.816 303 L CB 1.475 43.594 42.059 0.100 0.000 1.236 303 L HN 0.917 nan 8.230 nan 0.000 0.419 304 E N 2.560 122.865 120.200 0.175 0.000 2.248 304 E HA 0.566 4.915 4.350 -0.001 0.000 0.267 304 E C -0.980 175.769 176.600 0.247 0.000 0.877 304 E CA -0.703 55.821 56.400 0.206 0.000 0.759 304 E CB 2.309 32.156 29.700 0.245 0.000 1.182 304 E HN 0.702 nan 8.360 nan 0.000 0.418 305 G N 1.775 110.684 108.800 0.181 0.000 2.487 305 G HA2 0.415 4.374 3.960 -0.001 0.000 0.314 305 G HA3 0.415 4.374 3.960 -0.001 0.000 0.314 305 G C -0.932 173.989 174.900 0.035 0.000 1.267 305 G CA -0.443 44.726 45.100 0.115 0.000 0.937 305 G HN 0.331 nan 8.290 nan 0.000 0.481 306 S N 1.654 117.320 115.700 -0.057 0.000 2.437 306 S HA 0.506 4.975 4.470 -0.001 0.000 0.305 306 S C -0.084 174.010 174.600 -0.842 0.000 1.109 306 S CA -0.458 57.568 58.200 -0.289 0.000 1.099 306 S CB 1.291 64.509 63.200 0.031 0.000 1.004 306 S HN 0.499 nan 8.310 nan 0.000 0.475 307 I N 3.971 124.007 120.570 -0.890 0.000 2.428 307 I HA 0.233 4.402 4.170 -0.001 0.000 0.279 307 I C 0.009 175.717 176.117 -0.682 0.000 1.040 307 I CA -0.504 60.354 61.300 -0.738 0.000 1.171 307 I CB 0.561 38.289 38.000 -0.453 0.000 1.312 307 I HN 0.558 nan 8.210 nan 0.000 0.470 308 F N 4.436 124.242 119.950 -0.239 0.000 2.161 308 F HA -0.105 4.421 4.527 -0.001 0.000 0.300 308 F C 1.209 177.062 175.800 0.088 0.000 1.089 308 F CA 0.788 58.794 58.000 0.011 0.000 1.282 308 F CB -0.473 38.554 39.000 0.045 0.000 1.010 308 F HN 0.105 nan 8.300 nan 0.000 0.485 309 V N -0.317 119.672 119.914 0.125 0.000 2.357 309 V HA 0.726 4.845 4.120 -0.001 0.000 0.284 309 V C 0.254 176.358 176.094 0.017 0.000 1.018 309 V CA 0.022 62.372 62.300 0.084 0.000 0.841 309 V CB 0.684 32.478 31.823 -0.047 0.000 0.991 309 V HN 0.245 nan 8.190 nan 0.000 0.437 310 A N 4.269 127.137 122.820 0.080 0.000 1.758 310 A HA 0.564 4.883 4.320 -0.001 0.000 0.172 310 A C 1.849 179.505 177.584 0.119 0.000 1.924 310 A CA 0.716 52.798 52.037 0.075 0.000 1.449 310 A CB -0.677 18.373 19.000 0.084 0.000 1.075 310 A HN 0.800 nan 8.150 nan 0.000 0.777 311 G N 0.597 109.487 108.800 0.151 0.000 2.443 311 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.219 311 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.219 311 G C 1.734 176.741 174.900 0.178 0.000 1.131 311 G CA 2.056 47.246 45.100 0.151 0.000 0.775 311 G HN 1.118 nan 8.290 nan 0.000 0.547 312 S N 0.731 116.557 115.700 0.210 0.000 2.447 312 S HA 0.229 4.698 4.470 -0.001 0.000 0.233 312 S C 2.473 177.266 174.600 0.322 0.000 1.006 312 S CA 1.251 59.593 58.200 0.236 0.000 0.957 312 S CB -0.176 63.165 63.200 0.236 0.000 0.773 312 S HN 0.500 nan 8.310 nan 0.000 0.507 313 A N 2.218 125.227 122.820 0.315 0.000 1.929 313 A HA 0.145 4.465 4.320 -0.001 0.000 0.216 313 A C 2.169 180.018 177.584 0.443 0.000 1.176 313 A CA 1.196 53.502 52.037 0.447 0.000 0.628 313 A CB -0.564 18.563 19.000 0.212 0.000 0.816 313 A HN 0.526 nan 8.150 nan 0.000 0.444 314 I N 0.100 120.825 120.570 0.258 0.000 2.315 314 I HA -0.225 3.944 4.170 -0.001 0.000 0.248 314 I C 2.565 178.780 176.117 0.162 0.000 1.117 314 I CA 1.777 63.183 61.300 0.177 0.000 1.404 314 I CB -1.377 36.687 38.000 0.107 0.000 1.071 314 I HN 0.595 nan 8.210 nan 0.000 0.419 315 Q N -0.154 119.757 119.800 0.185 0.000 2.167 315 Q HA -0.251 4.089 4.340 -0.001 0.000 0.202 315 Q C 2.308 178.404 176.000 0.161 0.000 0.970 315 Q CA 1.544 57.431 55.803 0.141 0.000 0.855 315 Q CB -0.258 28.563 28.738 0.137 0.000 0.911 315 Q HN 0.542 nan 8.270 nan 0.000 0.438 316 W N 0.750 122.074 121.300 0.040 0.000 2.418 316 W HA -0.074 4.585 4.660 -0.002 0.000 0.292 316 W C 1.211 177.737 176.519 0.011 0.000 1.213 316 W CA 1.058 58.391 57.345 -0.019 0.000 1.283 316 W CB -0.210 29.244 29.460 -0.010 0.000 1.119 316 W HN 0.120 nan 8.180 nan 0.000 0.542 317 L N 0.495 121.655 121.223 -0.104 0.000 2.201 317 L HA -0.105 4.235 4.340 -0.001 0.000 0.212 317 L C 2.754 179.488 176.870 -0.228 0.000 1.105 317 L CA 1.531 56.182 54.840 -0.314 0.000 0.775 317 L CB -0.767 41.254 42.059 -0.064 0.000 0.913 317 L HN -0.001 nan 8.230 nan 0.000 0.440 318 R N -0.301 120.134 120.500 -0.109 0.000 2.090 318 R HA -0.076 4.263 4.340 -0.001 0.000 0.219 318 R C 1.444 177.684 176.300 -0.099 0.000 1.100 318 R CA 1.179 57.228 56.100 -0.084 0.000 0.991 318 R CB 0.228 30.511 30.300 -0.028 0.000 0.893 318 R HN 0.287 nan 8.270 nan 0.000 0.443 319 D N -1.284 119.061 120.400 -0.091 0.000 2.379 319 D HA 0.065 4.704 4.640 -0.001 0.000 0.218 319 D C 1.376 177.600 176.300 -0.127 0.000 1.006 319 D CA 0.900 54.850 54.000 -0.083 0.000 0.893 319 D CB 0.390 41.168 40.800 -0.036 0.000 1.019 319 D HN 0.376 nan 8.370 nan 0.000 0.503 320 G N 1.176 109.850 108.800 -0.209 0.000 2.624 320 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.216 320 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.216 320 G C 1.619 176.307 174.900 -0.353 0.000 1.274 320 G CA -0.036 44.913 45.100 -0.252 0.000 0.856 320 G HN 0.107 nan 8.290 nan 0.000 0.555 321 L N -0.988 119.844 121.223 -0.652 0.000 2.156 321 L HA 0.178 4.517 4.340 -0.001 0.000 0.208 321 L C 1.449 178.122 176.870 -0.328 0.000 1.095 321 L CA 0.602 55.147 54.840 -0.492 0.000 0.770 321 L CB -0.169 41.479 42.059 -0.684 0.000 0.914 321 L HN 0.267 nan 8.230 nan 0.000 0.439 322 R N -1.193 119.121 120.500 -0.311 0.000 3.527 322 R HA -0.169 4.170 4.340 -0.001 0.000 0.288 322 R C 1.077 177.274 176.300 -0.171 0.000 1.146 322 R CA 0.230 56.211 56.100 -0.198 0.000 0.778 322 R CB -1.721 28.490 30.300 -0.149 0.000 1.289 322 R HN 0.347 nan 8.270 nan 0.000 0.454 323 M N 0.090 119.573 119.600 -0.195 0.000 2.419 323 M HA 0.068 4.547 4.480 -0.001 0.000 0.264 323 M C 1.202 177.447 176.300 -0.091 0.000 1.082 323 M CA 1.209 56.422 55.300 -0.145 0.000 1.119 323 M CB 0.083 32.593 32.600 -0.149 0.000 1.398 323 M HN 0.289 nan 8.290 nan 0.000 0.453 324 I N -3.458 117.062 120.570 -0.084 0.000 2.646 324 I HA 0.340 4.509 4.170 -0.001 0.000 0.299 324 I C 0.341 176.428 176.117 -0.051 0.000 1.036 324 I CA -0.794 60.474 61.300 -0.053 0.000 1.074 324 I CB 1.968 39.948 38.000 -0.033 0.000 1.258 324 I HN -0.015 nan 8.210 nan 0.000 0.430 325 E N 2.147 122.324 120.200 -0.038 0.000 2.086 325 E HA 0.014 4.363 4.350 -0.001 0.000 0.190 325 E C 0.066 176.651 176.600 -0.025 0.000 0.975 325 E CA 1.230 57.610 56.400 -0.033 0.000 0.813 325 E CB 0.227 29.911 29.700 -0.027 0.000 0.768 325 E HN 0.862 nan 8.360 nan 0.000 0.457 326 T N -2.461 112.082 114.554 -0.018 0.000 2.916 326 T HA 0.277 4.626 4.350 -0.001 0.000 0.298 326 T C 0.639 175.337 174.700 -0.004 0.000 1.031 326 T CA -0.747 61.347 62.100 -0.010 0.000 0.993 326 T CB 1.892 70.756 68.868 -0.007 0.000 1.045 326 T HN -0.231 nan 8.240 nan 0.000 0.454 327 S N 2.141 117.844 115.700 0.005 0.000 2.400 327 S HA -0.087 4.382 4.470 -0.001 0.000 0.234 327 S C -0.890 173.715 174.600 0.008 0.000 1.049 327 S CA 1.791 60.000 58.200 0.015 0.000 1.039 327 S CB -1.329 61.888 63.200 0.028 0.000 0.856 327 S HN 0.685 nan 8.310 nan 0.000 0.465 328 P HA -0.048 nan 4.420 nan 0.000 0.223 328 P C 1.373 178.669 177.300 -0.006 0.000 1.151 328 P CA 0.710 63.810 63.100 -0.000 0.000 0.787 328 P CB -0.008 31.692 31.700 0.001 0.000 0.788 329 Q N 0.349 120.145 119.800 -0.007 0.000 2.226 329 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 329 Q C 2.036 178.029 176.000 -0.012 0.000 0.975 329 Q CA 1.833 57.629 55.803 -0.011 0.000 0.866 329 Q CB -0.335 28.395 28.738 -0.013 0.000 0.915 329 Q HN 0.280 nan 8.270 nan 0.000 0.440 330 S N 0.094 115.789 115.700 -0.009 0.000 2.374 330 S HA -0.284 4.185 4.470 -0.001 0.000 0.227 330 S C 1.771 176.356 174.600 -0.026 0.000 1.037 330 S CA 1.511 59.704 58.200 -0.010 0.000 1.024 330 S CB -0.424 62.775 63.200 -0.002 0.000 0.861 330 S HN 0.589 nan 8.310 nan 0.000 0.456 331 E N 1.365 121.547 120.200 -0.029 0.000 2.051 331 E HA -0.222 4.127 4.350 -0.001 0.000 0.192 331 E C 2.220 178.800 176.600 -0.034 0.000 0.991 331 E CA 1.297 57.673 56.400 -0.041 0.000 0.799 331 E CB -0.382 29.296 29.700 -0.036 0.000 0.748 331 E HN 0.775 nan 8.360 nan 0.000 0.449 332 E N -0.192 119.994 120.200 -0.023 0.000 2.058 332 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 332 E C 2.067 178.655 176.600 -0.020 0.000 0.997 332 E CA 1.059 57.448 56.400 -0.019 0.000 0.801 332 E CB 0.045 29.737 29.700 -0.014 0.000 0.746 332 E HN 0.252 nan 8.360 nan 0.000 0.450 333 L N 0.748 121.960 121.223 -0.019 0.000 1.976 333 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 333 L C 2.650 179.506 176.870 -0.023 0.000 1.071 333 L CA 1.970 56.800 54.840 -0.015 0.000 0.746 333 L CB -1.822 40.233 42.059 -0.007 0.000 0.890 333 L HN 0.212 nan 8.230 nan 0.000 0.432 334 A N -0.200 122.598 122.820 -0.037 0.000 1.958 334 A HA -0.238 4.081 4.320 -0.001 0.000 0.221 334 A C 2.489 180.037 177.584 -0.060 0.000 1.178 334 A CA 2.200 54.200 52.037 -0.061 0.000 0.642 334 A CB -0.747 18.196 19.000 -0.095 0.000 0.816 334 A HN 0.450 nan 8.150 nan 0.000 0.453 335 A N -0.372 122.420 122.820 -0.047 0.000 1.933 335 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 335 A C 2.002 179.572 177.584 -0.025 0.000 1.175 335 A CA 1.690 53.705 52.037 -0.036 0.000 0.628 335 A CB -0.367 18.618 19.000 -0.026 0.000 0.814 335 A HN 0.574 nan 8.150 nan 0.000 0.444 336 K N 0.150 120.538 120.400 -0.021 0.000 2.487 336 K HA 0.269 4.589 4.320 -0.001 0.000 0.192 336 K C 0.668 177.261 176.600 -0.012 0.000 1.027 336 K CA 0.217 56.496 56.287 -0.013 0.000 1.054 336 K CB -0.226 32.268 32.500 -0.011 0.000 0.824 336 K HN 0.437 nan 8.250 nan 0.000 0.510 337 A N 1.977 124.786 122.820 -0.018 0.000 2.566 337 A HA -0.064 4.255 4.320 -0.001 0.000 0.245 337 A C 0.521 178.099 177.584 -0.009 0.000 1.056 337 A CA 0.506 52.534 52.037 -0.015 0.000 0.757 337 A CB 0.149 19.131 19.000 -0.031 0.000 0.979 337 A HN 0.252 nan 8.150 nan 0.000 0.508 338 K N 2.468 122.867 120.400 -0.002 0.000 2.358 338 K HA 0.128 4.447 4.320 -0.001 0.000 0.200 338 K C 1.244 177.847 176.600 0.005 0.000 1.030 338 K CA 0.412 56.701 56.287 0.002 0.000 1.097 338 K CB 0.600 33.102 32.500 0.004 0.000 0.862 338 K HN 0.843 nan 8.250 nan 0.000 0.534 339 G N 1.829 110.631 108.800 0.004 0.000 2.631 339 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.271 339 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.271 339 G C 0.056 174.960 174.900 0.007 0.000 1.302 339 G CA -0.160 44.944 45.100 0.006 0.000 1.002 339 G HN 0.259 nan 8.290 nan 0.000 0.519 340 D N -1.729 118.678 120.400 0.011 0.000 2.559 340 D HA 0.058 4.697 4.640 -0.001 0.000 0.234 340 D C 0.429 176.741 176.300 0.019 0.000 1.226 340 D CA -0.849 53.164 54.000 0.021 0.000 0.830 340 D CB -0.350 40.467 40.800 0.029 0.000 1.028 340 D HN 0.224 nan 8.370 nan 0.000 0.492 341 N N 1.345 120.039 118.700 -0.011 0.000 2.727 341 N HA -0.178 4.561 4.740 -0.001 0.000 0.251 341 N C 0.131 175.581 175.510 -0.099 0.000 1.040 341 N CA 1.018 54.039 53.050 -0.048 0.000 0.712 341 N CB -1.003 37.502 38.487 0.029 0.000 0.912 341 N HN 0.784 nan 8.380 nan 0.000 0.545 342 E N -2.496 117.646 120.200 -0.097 0.000 2.526 342 E HA 0.158 4.507 4.350 -0.001 0.000 0.208 342 E C 0.158 176.688 176.600 -0.117 0.000 0.997 342 E CA -0.168 56.198 56.400 -0.057 0.000 0.961 342 E CB 0.571 30.297 29.700 0.043 0.000 1.030 342 E HN 0.055 nan 8.360 nan 0.000 0.483 343 V N 2.001 121.790 119.914 -0.208 0.000 2.439 343 V HA 0.252 4.372 4.120 -0.001 0.000 0.282 343 V C -1.085 174.832 176.094 -0.296 0.000 1.039 343 V CA -0.419 61.813 62.300 -0.112 0.000 0.913 343 V CB 0.205 32.015 31.823 -0.021 0.000 0.983 343 V HN 0.140 nan 8.190 nan 0.000 0.460 344 Y N 2.823 123.219 120.300 0.159 0.000 2.409 344 Y HA 0.656 5.205 4.550 -0.001 0.000 0.343 344 Y C -0.085 175.916 175.900 0.168 0.000 0.973 344 Y CA -0.849 57.368 58.100 0.195 0.000 1.064 344 Y CB 2.206 40.776 38.460 0.183 0.000 1.207 344 Y HN 0.334 nan 8.280 nan 0.000 0.452 345 V N 4.071 124.159 119.914 0.289 0.000 2.495 345 V HA 0.500 4.619 4.120 -0.001 0.000 0.298 345 V C -0.822 175.420 176.094 0.248 0.000 1.031 345 V CA -0.910 61.466 62.300 0.127 0.000 0.871 345 V CB 1.816 33.579 31.823 -0.100 0.000 0.988 345 V HN 0.519 nan 8.190 nan 0.000 0.432 346 V N 6.889 126.865 119.914 0.103 0.000 2.289 346 V HA 0.310 4.430 4.120 -0.001 0.000 0.272 346 V C -2.009 174.005 176.094 -0.133 0.000 1.026 346 V CA -1.251 61.066 62.300 0.030 0.000 0.807 346 V CB 1.713 33.453 31.823 -0.138 0.000 1.044 346 V HN 0.792 nan 8.190 nan 0.000 0.443 347 P HA 0.155 nan 4.420 nan 0.000 0.228 347 P C 0.425 177.269 177.300 -0.760 0.000 1.748 347 P CA 0.005 62.675 63.100 -0.717 0.000 0.909 347 P CB 0.363 31.640 31.700 -0.706 0.000 1.882 348 A N 0.548 123.107 122.820 -0.435 0.000 3.077 348 A HA 0.162 4.482 4.320 -0.001 0.000 0.255 348 A C 0.932 178.391 177.584 -0.208 0.000 1.728 348 A CA -0.445 51.439 52.037 -0.254 0.000 1.383 348 A CB -1.369 17.539 19.000 -0.155 0.000 1.097 348 A HN 0.074 nan 8.150 nan 0.000 0.634 349 F N 0.659 120.492 119.950 -0.195 0.000 2.154 349 F HA -0.154 4.372 4.527 -0.002 0.000 0.301 349 F C 2.504 178.172 175.800 -0.220 0.000 1.087 349 F CA 2.108 59.947 58.000 -0.269 0.000 1.274 349 F CB -0.776 38.041 39.000 -0.305 0.000 1.009 349 F HN 0.519 nan 8.300 nan 0.000 0.485 350 T N -2.628 111.942 114.554 0.026 0.000 3.228 350 T HA 0.614 4.963 4.350 -0.001 0.000 0.278 350 T C 0.490 175.169 174.700 -0.034 0.000 1.014 350 T CA 0.125 62.197 62.100 -0.047 0.000 0.904 350 T CB -0.095 68.706 68.868 -0.112 0.000 1.110 350 T HN 0.532 nan 8.240 nan 0.000 0.541 351 G N 1.100 109.898 108.800 -0.004 0.000 2.459 351 G HA2 0.098 4.058 3.960 -0.001 0.000 0.685 351 G HA3 0.098 4.058 3.960 -0.001 0.000 0.685 351 G C -1.180 173.778 174.900 0.096 0.000 1.303 351 G CA -1.145 43.981 45.100 0.044 0.000 0.907 351 G HN 0.479 nan 8.290 nan 0.000 0.632 352 L N 1.553 122.818 121.223 0.070 0.000 2.331 352 L HA 0.557 4.896 4.340 -0.001 0.000 0.278 352 L C 1.679 178.541 176.870 -0.013 0.000 1.106 352 L CA 0.325 55.181 54.840 0.028 0.000 0.824 352 L CB 0.904 42.955 42.059 -0.013 0.000 1.142 352 L HN 0.974 nan 8.230 nan 0.000 0.443 353 G N 1.922 110.561 108.800 -0.269 0.000 2.666 353 G HA2 0.503 4.462 3.960 -0.001 0.000 0.207 353 G HA3 0.503 4.462 3.960 -0.001 0.000 0.207 353 G C -0.234 174.057 174.900 -1.014 0.000 1.481 353 G CA -0.147 44.405 45.100 -0.914 0.000 1.071 353 G HN 0.761 nan 8.290 nan 0.000 0.572 354 A N 0.529 122.619 122.820 -1.218 0.000 2.462 354 A HA 0.492 4.812 4.320 -0.001 0.000 0.243 354 A C -1.360 175.952 177.584 -0.452 0.000 1.076 354 A CA -0.678 50.883 52.037 -0.794 0.000 0.773 354 A CB 0.446 19.247 19.000 -0.332 0.000 1.010 354 A HN 0.411 nan 8.150 nan 0.000 0.493 355 P HA 0.137 nan 4.420 nan 0.000 0.259 355 P C -0.227 176.920 177.300 -0.254 0.000 1.530 355 P CA 0.320 63.250 63.100 -0.283 0.000 1.022 355 P CB 0.009 31.584 31.700 -0.209 0.000 1.514 356 Y N -1.618 118.624 120.300 -0.097 0.000 2.301 356 Y HA 0.110 4.659 4.550 -0.001 0.000 0.295 356 Y C 0.736 176.725 175.900 0.147 0.000 1.119 356 Y CA 0.169 58.277 58.100 0.013 0.000 1.162 356 Y CB -1.082 37.353 38.460 -0.042 0.000 1.046 356 Y HN -0.122 nan 8.280 nan 0.000 0.538 357 W N 1.876 123.312 121.300 0.228 0.000 6.880 357 W HA -0.227 4.432 4.660 -0.002 0.000 0.423 357 W C -0.614 176.018 176.519 0.187 0.000 1.695 357 W CA 0.518 57.988 57.345 0.209 0.000 1.126 357 W CB -1.119 28.448 29.460 0.179 0.000 2.925 357 W HN 0.080 nan 8.180 nan 0.000 1.530 358 D N 0.067 120.645 120.400 0.296 0.000 2.446 358 D HA 0.312 4.951 4.640 -0.001 0.000 0.251 358 D C 1.067 177.471 176.300 0.174 0.000 1.137 358 D CA 0.174 54.302 54.000 0.214 0.000 0.890 358 D CB 0.819 41.708 40.800 0.149 0.000 1.071 358 D HN -0.014 nan 8.370 nan 0.000 0.528 359 S N 2.334 118.144 115.700 0.183 0.000 2.515 359 S HA -0.082 4.387 4.470 -0.001 0.000 0.231 359 S C 1.043 175.707 174.600 0.107 0.000 0.987 359 S CA 0.464 58.746 58.200 0.136 0.000 0.936 359 S CB -0.123 63.159 63.200 0.137 0.000 0.766 359 S HN 0.547 nan 8.310 nan 0.000 0.528 360 E N 1.077 121.353 120.200 0.127 0.000 2.479 360 E HA 0.362 4.711 4.350 -0.001 0.000 0.193 360 E C 0.625 177.337 176.600 0.186 0.000 1.049 360 E CA 0.071 56.566 56.400 0.157 0.000 0.870 360 E CB 0.279 30.076 29.700 0.162 0.000 0.944 360 E HN 0.673 nan 8.360 nan 0.000 0.492 361 A N 1.546 124.429 122.820 0.105 0.000 2.302 361 A HA 0.502 4.821 4.320 -0.001 0.000 0.285 361 A C 0.147 177.687 177.584 -0.074 0.000 1.105 361 A CA -0.408 51.666 52.037 0.060 0.000 0.816 361 A CB 0.665 19.667 19.000 0.004 0.000 1.067 361 A HN -0.031 nan 8.150 nan 0.000 0.489 362 R N 0.033 120.427 120.500 -0.177 0.000 2.855 362 R HA 0.497 4.836 4.340 -0.001 0.000 0.266 362 R C 0.252 176.404 176.300 -0.246 0.000 1.034 362 R CA -0.296 55.591 56.100 -0.356 0.000 0.944 362 R CB 1.171 30.928 30.300 -0.905 0.000 1.219 362 R HN 0.971 nan 8.270 nan 0.000 0.474 363 G N 0.155 108.828 108.800 -0.213 0.000 2.321 363 G HA2 0.377 4.336 3.960 -0.001 0.000 0.237 363 G HA3 0.377 4.336 3.960 -0.001 0.000 0.237 363 G C -0.571 174.242 174.900 -0.145 0.000 1.282 363 G CA 0.322 45.304 45.100 -0.196 0.000 0.886 363 G HN 0.591 nan 8.290 nan 0.000 0.528 364 A N 1.253 124.000 122.820 -0.121 0.000 2.556 364 A HA 0.818 5.137 4.320 -0.001 0.000 0.294 364 A C -1.012 176.477 177.584 -0.159 0.000 1.091 364 A CA -0.563 51.378 52.037 -0.159 0.000 0.704 364 A CB 2.115 21.027 19.000 -0.146 0.000 1.300 364 A HN 1.233 nan 8.150 nan 0.000 0.406 365 V N 0.633 120.347 119.914 -0.333 0.000 2.760 365 V HA 0.697 4.816 4.120 -0.001 0.000 0.309 365 V C -1.342 174.482 176.094 -0.450 0.000 1.077 365 V CA -0.313 61.891 62.300 -0.160 0.000 0.910 365 V CB 1.437 33.320 31.823 0.101 0.000 1.008 365 V HN 0.757 nan 8.190 nan 0.000 0.424 366 F N 0.882 120.907 119.950 0.125 0.000 2.603 366 F HA 0.765 5.291 4.527 -0.001 0.000 0.317 366 F C 1.011 176.898 175.800 0.145 0.000 1.066 366 F CA 0.059 58.131 58.000 0.120 0.000 0.941 366 F CB 2.206 41.260 39.000 0.089 0.000 1.291 366 F HN 0.745 nan 8.300 nan 0.000 0.472 367 G N 1.464 110.458 108.800 0.324 0.000 2.147 367 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.244 367 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.244 367 G C -0.297 174.690 174.900 0.145 0.000 1.005 367 G CA -0.372 44.859 45.100 0.218 0.000 0.713 367 G HN 0.535 nan 8.290 nan 0.000 0.515 368 L N 1.103 122.404 121.223 0.130 0.000 2.456 368 L HA 0.583 4.922 4.340 -0.001 0.000 0.272 368 L C 1.209 178.125 176.870 0.076 0.000 1.189 368 L CA 0.666 55.568 54.840 0.102 0.000 0.846 368 L CB 0.880 42.995 42.059 0.095 0.000 1.111 368 L HN 0.484 nan 8.230 nan 0.000 0.475 369 T N -1.326 113.265 114.554 0.062 0.000 2.865 369 T HA 0.392 4.741 4.350 -0.001 0.000 0.294 369 T C 0.419 175.140 174.700 0.035 0.000 1.119 369 T CA -1.019 61.109 62.100 0.047 0.000 1.007 369 T CB 1.534 70.428 68.868 0.044 0.000 1.225 369 T HN 0.630 nan 8.240 nan 0.000 0.515 370 R N 0.099 120.615 120.500 0.026 0.000 2.328 370 R HA 0.266 4.605 4.340 -0.001 0.000 0.207 370 R C 1.664 177.973 176.300 0.015 0.000 1.056 370 R CA 1.367 57.477 56.100 0.017 0.000 1.016 370 R CB -0.854 29.453 30.300 0.012 0.000 0.872 370 R HN 0.724 nan 8.270 nan 0.000 0.471 371 G N -0.415 108.398 108.800 0.021 0.000 2.838 371 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.210 371 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.210 371 G C -0.125 174.789 174.900 0.024 0.000 1.153 371 G CA -0.171 44.941 45.100 0.019 0.000 0.778 371 G HN 0.319 nan 8.290 nan 0.000 0.539 372 T N 2.128 116.702 114.554 0.034 0.000 2.829 372 T HA 0.364 4.713 4.350 -0.001 0.000 0.293 372 T C 0.822 175.545 174.700 0.038 0.000 0.970 372 T CA 0.592 62.721 62.100 0.048 0.000 1.168 372 T CB 0.798 69.711 68.868 0.075 0.000 0.911 372 T HN 0.375 nan 8.240 nan 0.000 0.535 373 T N 0.540 115.119 114.554 0.041 0.000 2.937 373 T HA 0.447 4.796 4.350 -0.001 0.000 0.283 373 T C 1.361 176.090 174.700 0.048 0.000 1.012 373 T CA -1.105 61.010 62.100 0.026 0.000 0.997 373 T CB 1.586 70.463 68.868 0.015 0.000 1.136 373 T HN 0.437 nan 8.240 nan 0.000 0.551 374 K N 0.113 120.524 120.400 0.018 0.000 2.026 374 K HA -0.176 4.143 4.320 -0.001 0.000 0.208 374 K C 1.863 178.510 176.600 0.078 0.000 1.048 374 K CA 1.797 58.103 56.287 0.031 0.000 0.929 374 K CB -0.288 32.202 32.500 -0.017 0.000 0.713 374 K HN 0.633 nan 8.250 nan 0.000 0.439 375 E N 1.192 121.416 120.200 0.040 0.000 2.118 375 E HA -0.185 4.164 4.350 -0.001 0.000 0.195 375 E C 1.718 178.340 176.600 0.035 0.000 0.992 375 E CA 1.514 57.930 56.400 0.027 0.000 0.804 375 E CB -0.168 29.535 29.700 0.007 0.000 0.741 375 E HN 0.368 nan 8.360 nan 0.000 0.458 376 D N -0.616 119.816 120.400 0.053 0.000 2.117 376 D HA -0.136 4.503 4.640 -0.001 0.000 0.198 376 D C 1.774 178.117 176.300 0.071 0.000 0.982 376 D CA 0.730 54.756 54.000 0.044 0.000 0.828 376 D CB -0.281 40.552 40.800 0.055 0.000 0.967 376 D HN 0.164 nan 8.370 nan 0.000 0.464 377 F N 1.495 121.436 119.950 -0.014 0.000 2.113 377 F HA -0.186 4.340 4.527 -0.001 0.000 0.297 377 F C 2.288 178.094 175.800 0.010 0.000 1.103 377 F CA 0.925 58.930 58.000 0.008 0.000 1.248 377 F CB -0.187 38.819 39.000 0.009 0.000 0.999 377 F HN -0.252 nan 8.300 nan 0.000 0.475 378 V N 1.038 121.067 119.914 0.192 0.000 2.332 378 V HA -0.323 3.796 4.120 -0.001 0.000 0.248 378 V C 2.555 178.622 176.094 -0.045 0.000 1.055 378 V CA 2.316 64.664 62.300 0.080 0.000 1.038 378 V CB -0.813 31.051 31.823 0.069 0.000 0.651 378 V HN 0.328 nan 8.190 nan 0.000 0.450 379 R N 0.273 120.734 120.500 -0.064 0.000 2.091 379 R HA -0.178 4.161 4.340 -0.001 0.000 0.238 379 R C 2.287 178.473 176.300 -0.190 0.000 1.136 379 R CA 1.744 57.762 56.100 -0.136 0.000 0.959 379 R CB -0.472 29.750 30.300 -0.130 0.000 0.856 379 R HN 0.480 nan 8.270 nan 0.000 0.437 380 A N -0.031 122.684 122.820 -0.174 0.000 1.933 380 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 380 A C 2.136 179.644 177.584 -0.127 0.000 1.175 380 A CA 2.010 53.952 52.037 -0.158 0.000 0.628 380 A CB -0.821 18.075 19.000 -0.174 0.000 0.814 380 A HN 0.491 nan 8.150 nan 0.000 0.444 381 T N 0.492 114.935 114.554 -0.185 0.000 2.746 381 T HA -0.088 4.261 4.350 -0.001 0.000 0.267 381 T C 1.805 176.461 174.700 -0.073 0.000 1.039 381 T CA 1.450 63.486 62.100 -0.106 0.000 1.142 381 T CB -0.371 68.460 68.868 -0.061 0.000 0.866 381 T HN 0.370 nan 8.240 nan 0.000 0.444 382 L N 0.812 121.964 121.223 -0.118 0.000 2.083 382 L HA -0.129 4.210 4.340 -0.001 0.000 0.209 382 L C 2.866 179.596 176.870 -0.232 0.000 1.083 382 L CA 1.331 56.079 54.840 -0.153 0.000 0.752 382 L CB -0.578 41.373 42.059 -0.180 0.000 0.899 382 L HN 0.349 nan 8.230 nan 0.000 0.433 383 Q N -0.359 119.242 119.800 -0.332 0.000 2.297 383 Q HA -0.099 4.240 4.340 -0.001 0.000 0.204 383 Q C 2.411 178.236 176.000 -0.293 0.000 0.962 383 Q CA 0.997 56.497 55.803 -0.506 0.000 0.879 383 Q CB -0.223 28.017 28.738 -0.830 0.000 0.947 383 Q HN 0.525 nan 8.270 nan 0.000 0.462 384 A N 1.074 123.844 122.820 -0.083 0.000 1.927 384 A HA -0.219 4.100 4.320 -0.001 0.000 0.220 384 A C 2.315 179.787 177.584 -0.187 0.000 1.185 384 A CA 1.832 53.844 52.037 -0.041 0.000 0.639 384 A CB -1.072 18.006 19.000 0.131 0.000 0.820 384 A HN 0.301 nan 8.150 nan 0.000 0.451 385 V N -0.394 119.457 119.914 -0.104 0.000 2.343 385 V HA -0.158 3.961 4.120 -0.001 0.000 0.247 385 V C 2.780 178.833 176.094 -0.069 0.000 1.051 385 V CA 2.393 64.662 62.300 -0.051 0.000 1.036 385 V CB -0.819 31.027 31.823 0.039 0.000 0.654 385 V HN 0.644 nan 8.190 nan 0.000 0.451 386 A N -1.242 121.505 122.820 -0.121 0.000 1.902 386 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 386 A C 2.018 179.467 177.584 -0.224 0.000 1.181 386 A CA 2.127 54.089 52.037 -0.125 0.000 0.623 386 A CB -0.819 18.167 19.000 -0.024 0.000 0.818 386 A HN 0.661 nan 8.150 nan 0.000 0.443 387 Y N -0.527 119.578 120.300 -0.325 0.000 2.133 387 Y HA -0.185 4.364 4.550 -0.001 0.000 0.287 387 Y C 2.674 178.284 175.900 -0.484 0.000 1.134 387 Y CA 1.602 59.321 58.100 -0.635 0.000 1.133 387 Y CB -0.835 36.589 38.460 -1.727 0.000 0.987 387 Y HN 0.427 nan 8.280 nan 0.000 0.502 388 Q N -0.470 119.170 119.800 -0.266 0.000 2.226 388 Q HA -0.157 4.182 4.340 -0.001 0.000 0.204 388 Q C 2.259 178.275 176.000 0.027 0.000 0.975 388 Q CA 1.438 57.301 55.803 0.100 0.000 0.866 388 Q CB -0.075 28.769 28.738 0.177 0.000 0.915 388 Q HN 0.376 nan 8.270 nan 0.000 0.440 389 S N 0.429 116.103 115.700 -0.043 0.000 2.368 389 S HA -0.160 4.309 4.470 -0.001 0.000 0.225 389 S C 1.677 176.251 174.600 -0.045 0.000 1.030 389 S CA 1.339 59.508 58.200 -0.052 0.000 0.999 389 S CB -0.131 63.050 63.200 -0.033 0.000 0.844 389 S HN 0.346 nan 8.310 nan 0.000 0.459 390 K N 0.988 121.356 120.400 -0.052 0.000 2.148 390 K HA -0.141 4.178 4.320 -0.001 0.000 0.204 390 K C 1.266 177.861 176.600 -0.007 0.000 1.050 390 K CA 1.517 57.744 56.287 -0.100 0.000 0.942 390 K CB -0.102 32.245 32.500 -0.255 0.000 0.724 390 K HN 0.160 nan 8.250 nan 0.000 0.446 391 D N 0.368 120.852 120.400 0.139 0.000 2.097 391 D HA -0.151 4.488 4.640 -0.001 0.000 0.195 391 D C 1.965 178.279 176.300 0.023 0.000 0.989 391 D CA 1.157 55.261 54.000 0.174 0.000 0.827 391 D CB -0.202 40.736 40.800 0.230 0.000 0.966 391 D HN 0.046 nan 8.370 nan 0.000 0.456 392 V N 1.680 121.586 119.914 -0.014 0.000 2.307 392 V HA -0.206 3.913 4.120 -0.001 0.000 0.245 392 V C 2.495 178.579 176.094 -0.017 0.000 1.045 392 V CA 0.950 63.228 62.300 -0.036 0.000 1.024 392 V CB -0.260 31.530 31.823 -0.055 0.000 0.651 392 V HN 0.159 nan 8.190 nan 0.000 0.449 393 I N 0.229 120.784 120.570 -0.025 0.000 2.163 393 I HA -0.236 3.933 4.170 -0.001 0.000 0.243 393 I C 2.314 178.420 176.117 -0.017 0.000 1.085 393 I CA 1.771 63.056 61.300 -0.024 0.000 1.347 393 I CB -1.390 36.583 38.000 -0.044 0.000 1.044 393 I HN 0.357 nan 8.210 nan 0.000 0.408 394 D N 0.497 120.884 120.400 -0.021 0.000 2.178 394 D HA -0.126 4.513 4.640 -0.001 0.000 0.201 394 D C 2.132 178.437 176.300 0.009 0.000 0.980 394 D CA 1.409 55.405 54.000 -0.007 0.000 0.842 394 D CB 0.018 40.822 40.800 0.007 0.000 0.948 394 D HN 0.323 nan 8.370 nan 0.000 0.472 395 T N 0.498 115.057 114.554 0.008 0.000 2.812 395 T HA -0.031 4.318 4.350 -0.001 0.000 0.264 395 T C 2.128 176.843 174.700 0.025 0.000 1.042 395 T CA 0.616 62.725 62.100 0.014 0.000 1.140 395 T CB -0.012 68.858 68.868 0.004 0.000 0.870 395 T HN 0.128 nan 8.240 nan 0.000 0.445 396 M N 0.526 120.141 119.600 0.025 0.000 2.213 396 M HA -0.080 4.400 4.480 -0.001 0.000 0.263 396 M C 2.340 178.655 176.300 0.025 0.000 1.062 396 M CA 1.421 56.741 55.300 0.032 0.000 1.105 396 M CB -0.220 32.399 32.600 0.031 0.000 1.385 396 M HN 0.065 nan 8.290 nan 0.000 0.417 397 K N 0.801 121.210 120.400 0.015 0.000 2.001 397 K HA -0.155 4.164 4.320 -0.001 0.000 0.208 397 K C 2.001 178.611 176.600 0.016 0.000 1.048 397 K CA 1.351 57.645 56.287 0.012 0.000 0.932 397 K CB -0.097 32.404 32.500 0.003 0.000 0.715 397 K HN 0.069 nan 8.250 nan 0.000 0.437 398 K N 0.269 120.679 120.400 0.018 0.000 2.103 398 K HA -0.214 4.105 4.320 -0.001 0.000 0.207 398 K C 1.024 177.638 176.600 0.022 0.000 1.048 398 K CA 2.219 58.518 56.287 0.020 0.000 0.930 398 K CB -0.092 32.421 32.500 0.023 0.000 0.716 398 K HN 0.143 nan 8.250 nan 0.000 0.444 399 D N -0.315 120.101 120.400 0.027 0.000 2.120 399 D HA -0.096 4.543 4.640 -0.001 0.000 0.202 399 D C 2.046 178.363 176.300 0.028 0.000 0.972 399 D CA 1.687 55.706 54.000 0.031 0.000 0.837 399 D CB 0.005 40.831 40.800 0.043 0.000 0.989 399 D HN 0.344 nan 8.370 nan 0.000 0.469 400 S N -1.481 114.235 115.700 0.027 0.000 2.439 400 S HA 0.229 4.699 4.470 -0.001 0.000 0.224 400 S C 1.950 176.561 174.600 0.019 0.000 1.029 400 S CA 1.030 59.245 58.200 0.025 0.000 0.946 400 S CB 0.438 63.656 63.200 0.030 0.000 0.797 400 S HN 0.319 nan 8.310 nan 0.000 0.504 401 G N 0.804 109.614 108.800 0.017 0.000 2.253 401 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.251 401 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.251 401 G C -0.015 174.892 174.900 0.013 0.000 0.998 401 G CA 0.182 45.290 45.100 0.014 0.000 0.621 401 G HN 0.535 nan 8.290 nan 0.000 0.524 402 I N 2.230 122.809 120.570 0.016 0.000 2.754 402 I HA 0.358 4.527 4.170 -0.001 0.000 0.285 402 I C 0.518 176.641 176.117 0.011 0.000 1.166 402 I CA -0.352 60.957 61.300 0.015 0.000 1.417 402 I CB 0.580 38.593 38.000 0.021 0.000 1.382 402 I HN 0.046 nan 8.210 nan 0.000 0.588 403 D N 5.105 125.510 120.400 0.008 0.000 2.348 403 D HA 0.519 5.158 4.640 -0.001 0.000 0.249 403 D C -0.309 175.992 176.300 0.002 0.000 1.110 403 D CA 0.110 54.112 54.000 0.003 0.000 0.967 403 D CB 1.052 41.852 40.800 0.001 0.000 1.139 403 D HN 0.230 nan 8.370 nan 0.000 0.466 404 I N 2.325 122.892 120.570 -0.004 0.000 2.641 404 I HA 0.146 4.315 4.170 -0.001 0.000 0.275 404 I C -1.718 174.392 176.117 -0.011 0.000 1.129 404 I CA -1.187 60.109 61.300 -0.006 0.000 1.094 404 I CB 2.241 40.236 38.000 -0.009 0.000 1.232 404 I HN 0.200 nan 8.210 nan 0.000 0.503 405 P HA 0.056 nan 4.420 nan 0.000 0.226 405 P C 0.093 177.389 177.300 -0.007 0.000 1.161 405 P CA 0.510 63.605 63.100 -0.009 0.000 0.804 405 P CB 1.176 32.872 31.700 -0.006 0.000 0.829 406 L N 0.225 121.446 121.223 -0.004 0.000 2.410 406 L HA 0.576 4.915 4.340 -0.001 0.000 0.270 406 L C -1.386 175.485 176.870 0.002 0.000 0.983 406 L CA -1.190 53.651 54.840 0.001 0.000 0.822 406 L CB 2.076 44.135 42.059 -0.001 0.000 1.285 406 L HN -0.243 nan 8.230 nan 0.000 0.409 407 L N 5.003 126.232 121.223 0.010 0.000 2.325 407 L HA 0.583 4.922 4.340 -0.001 0.000 0.281 407 L C -0.916 175.971 176.870 0.028 0.000 1.004 407 L CA -0.276 54.571 54.840 0.012 0.000 0.823 407 L CB 1.104 43.169 42.059 0.010 0.000 1.236 407 L HN 0.469 nan 8.230 nan 0.000 0.415 408 K N 4.542 124.952 120.400 0.017 0.000 2.205 408 K HA 0.651 4.970 4.320 -0.001 0.000 0.279 408 K C -0.737 175.891 176.600 0.047 0.000 1.027 408 K CA -0.418 55.885 56.287 0.027 0.000 0.932 408 K CB 2.003 34.499 32.500 -0.006 0.000 1.032 408 K HN 0.552 nan 8.250 nan 0.000 0.466 409 V N -1.069 118.897 119.914 0.088 0.000 2.962 409 V HA 0.726 4.845 4.120 -0.001 0.000 0.313 409 V C -0.947 175.231 176.094 0.141 0.000 1.099 409 V CA -0.956 61.431 62.300 0.144 0.000 0.971 409 V CB 2.029 34.019 31.823 0.278 0.000 1.028 409 V HN 0.933 nan 8.190 nan 0.000 0.430 410 D N 0.138 120.637 120.400 0.165 0.000 2.692 410 D HA 0.814 5.453 4.640 -0.001 0.000 0.303 410 D C -0.061 176.354 176.300 0.190 0.000 1.278 410 D CA 0.011 54.096 54.000 0.142 0.000 0.852 410 D CB 1.149 41.997 40.800 0.080 0.000 1.375 410 D HN 2.034 nan 8.370 nan 0.000 0.453 411 G N -2.175 106.715 108.800 0.150 0.000 2.629 411 G HA2 0.397 4.356 3.960 -0.001 0.000 0.686 411 G HA3 0.397 4.356 3.960 -0.001 0.000 0.686 411 G C 0.745 175.736 174.900 0.151 0.000 1.232 411 G CA 0.116 45.313 45.100 0.163 0.000 0.803 411 G HN 1.230 nan 8.290 nan 0.000 0.638 412 G N 0.381 109.260 108.800 0.132 0.000 2.529 412 G HA2 0.164 4.123 3.960 -0.001 0.000 0.219 412 G HA3 0.164 4.123 3.960 -0.001 0.000 0.219 412 G C 2.132 177.078 174.900 0.077 0.000 1.177 412 G CA 2.788 47.947 45.100 0.099 0.000 0.773 412 G HN 2.172 nan 8.290 nan 0.000 0.573 413 A N 0.560 123.438 122.820 0.096 0.000 2.259 413 A HA 0.445 4.764 4.320 -0.001 0.000 0.212 413 A C 2.385 179.907 177.584 -0.103 0.000 1.178 413 A CA 1.618 53.661 52.037 0.011 0.000 0.734 413 A CB -0.358 18.663 19.000 0.035 0.000 0.774 413 A HN 0.837 nan 8.150 nan 0.000 0.481 414 A N -0.501 122.304 122.820 -0.025 0.000 2.238 414 A HA 0.095 4.414 4.320 -0.001 0.000 0.208 414 A C 1.950 179.507 177.584 -0.045 0.000 1.177 414 A CA 1.002 52.992 52.037 -0.079 0.000 0.804 414 A CB -0.256 18.793 19.000 0.081 0.000 0.823 414 A HN 0.323 nan 8.150 nan 0.000 0.482 415 K N 1.335 121.720 120.400 -0.024 0.000 2.057 415 K HA -0.119 4.200 4.320 -0.001 0.000 0.206 415 K C 0.339 176.925 176.600 -0.022 0.000 1.050 415 K CA 0.596 56.883 56.287 -0.000 0.000 0.935 415 K CB -0.450 32.054 32.500 0.008 0.000 0.715 415 K HN 0.438 nan 8.250 nan 0.000 0.439 416 N N 3.166 121.823 118.700 -0.072 0.000 2.412 416 N HA -0.084 4.655 4.740 -0.001 0.000 0.279 416 N C 0.097 175.533 175.510 -0.124 0.000 1.287 416 N CA 0.334 53.329 53.050 -0.093 0.000 0.948 416 N CB 0.387 38.795 38.487 -0.131 0.000 1.255 416 N HN 0.124 nan 8.380 nan 0.000 0.485 417 D N 3.725 124.103 120.400 -0.037 0.000 2.097 417 D HA -0.167 4.473 4.640 -0.001 0.000 0.195 417 D C 1.836 178.084 176.300 -0.086 0.000 0.989 417 D CA 0.992 55.000 54.000 0.014 0.000 0.827 417 D CB 0.305 41.212 40.800 0.178 0.000 0.966 417 D HN 0.549 nan 8.370 nan 0.000 0.456 418 L N 0.404 121.597 121.223 -0.051 0.000 2.079 418 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 418 L C 2.477 179.284 176.870 -0.105 0.000 1.081 418 L CA 0.529 55.337 54.840 -0.052 0.000 0.752 418 L CB -0.280 41.749 42.059 -0.050 0.000 0.896 418 L HN 0.077 nan 8.230 nan 0.000 0.433 419 L N -1.163 119.952 121.223 -0.178 0.000 2.095 419 L HA -0.120 4.219 4.340 -0.001 0.000 0.204 419 L C 2.415 179.118 176.870 -0.277 0.000 1.080 419 L CA 1.582 56.295 54.840 -0.211 0.000 0.759 419 L CB -0.331 41.567 42.059 -0.269 0.000 0.914 419 L HN 0.116 nan 8.230 nan 0.000 0.439 420 M N -0.788 118.523 119.600 -0.481 0.000 2.159 420 M HA -0.186 4.293 4.480 -0.001 0.000 0.263 420 M C 2.300 178.192 176.300 -0.680 0.000 1.063 420 M CA 1.511 56.372 55.300 -0.731 0.000 1.110 420 M CB -1.199 30.639 32.600 -1.271 0.000 1.374 420 M HN 0.408 nan 8.290 nan 0.000 0.411 421 Q N 0.051 119.531 119.800 -0.534 0.000 2.079 421 Q HA -0.144 4.196 4.340 -0.001 0.000 0.200 421 Q C 1.895 177.848 176.000 -0.079 0.000 0.974 421 Q CA 1.640 57.354 55.803 -0.149 0.000 0.840 421 Q CB -0.622 28.146 28.738 0.050 0.000 0.898 421 Q HN 0.431 nan 8.270 nan 0.000 0.430 422 F N 0.537 120.361 119.950 -0.211 0.000 2.171 422 F HA -0.173 4.353 4.527 -0.001 0.000 0.300 422 F C 2.210 177.878 175.800 -0.219 0.000 1.090 422 F CA 1.845 59.728 58.000 -0.195 0.000 1.293 422 F CB -0.312 38.552 39.000 -0.226 0.000 1.013 422 F HN 0.208 nan 8.300 nan 0.000 0.486 423 Q N 0.919 120.622 119.800 -0.161 0.000 2.061 423 Q HA -0.148 4.191 4.340 -0.001 0.000 0.204 423 Q C 2.223 178.078 176.000 -0.242 0.000 0.984 423 Q CA 2.262 57.934 55.803 -0.219 0.000 0.846 423 Q CB -0.776 27.865 28.738 -0.161 0.000 0.902 423 Q HN 0.442 nan 8.270 nan 0.000 0.421 424 A N 0.516 123.225 122.820 -0.185 0.000 1.877 424 A HA -0.214 4.105 4.320 -0.001 0.000 0.216 424 A C 1.917 179.408 177.584 -0.154 0.000 1.186 424 A CA 1.810 53.780 52.037 -0.112 0.000 0.620 424 A CB -0.904 18.093 19.000 -0.006 0.000 0.822 424 A HN 0.501 nan 8.150 nan 0.000 0.443 425 D N -0.052 120.226 120.400 -0.203 0.000 2.123 425 D HA -0.142 4.497 4.640 -0.001 0.000 0.196 425 D C 1.899 178.025 176.300 -0.290 0.000 0.992 425 D CA 1.165 55.033 54.000 -0.219 0.000 0.833 425 D CB -0.226 40.436 40.800 -0.229 0.000 0.954 425 D HN 0.316 nan 8.370 nan 0.000 0.455 426 I N 0.665 120.953 120.570 -0.470 0.000 2.286 426 I HA -0.151 4.018 4.170 -0.001 0.000 0.245 426 I C 2.506 178.441 176.117 -0.304 0.000 1.104 426 I CA 0.671 61.709 61.300 -0.436 0.000 1.397 426 I CB -0.782 36.827 38.000 -0.652 0.000 1.072 426 I HN 0.030 nan 8.210 nan 0.000 0.417 427 L N 0.004 121.067 121.223 -0.267 0.000 2.291 427 L HA -0.146 4.193 4.340 -0.001 0.000 0.214 427 L C 0.688 177.468 176.870 -0.150 0.000 1.120 427 L CA 0.789 55.508 54.840 -0.201 0.000 0.799 427 L CB -0.365 41.604 42.059 -0.151 0.000 0.925 427 L HN 0.296 nan 8.230 nan 0.000 0.446 428 D N -0.135 120.184 120.400 -0.135 0.000 2.800 428 D HA -0.214 4.425 4.640 -0.001 0.000 0.232 428 D C -0.376 175.885 176.300 -0.064 0.000 1.137 428 D CA 0.582 54.528 54.000 -0.090 0.000 0.718 428 D CB -0.920 39.831 40.800 -0.082 0.000 1.084 428 D HN 0.257 nan 8.370 nan 0.000 0.432 429 I N -0.371 120.163 120.570 -0.060 0.000 2.969 429 I HA 0.306 4.475 4.170 -0.001 0.000 0.307 429 I C 0.405 176.513 176.117 -0.014 0.000 1.149 429 I CA -1.180 60.098 61.300 -0.036 0.000 1.008 429 I CB 1.775 39.751 38.000 -0.041 0.000 1.232 429 I HN -0.159 nan 8.210 nan 0.000 0.435 430 D N 2.663 123.064 120.400 0.002 0.000 2.372 430 D HA 0.283 4.922 4.640 -0.001 0.000 0.243 430 D C -0.779 175.550 176.300 0.047 0.000 1.121 430 D CA 0.271 54.288 54.000 0.029 0.000 0.898 430 D CB 1.988 42.800 40.800 0.020 0.000 1.202 430 D HN 0.002 nan 8.370 nan 0.000 0.428 431 V N 2.522 122.498 119.914 0.104 0.000 2.462 431 V HA 0.120 4.239 4.120 -0.001 0.000 0.288 431 V C -0.128 176.096 176.094 0.216 0.000 1.020 431 V CA -0.670 61.707 62.300 0.129 0.000 0.857 431 V CB 1.597 33.475 31.823 0.092 0.000 1.013 431 V HN 0.417 nan 8.190 nan 0.000 0.431 432 Q N 4.991 124.874 119.800 0.138 0.000 2.360 432 Q HA 0.473 4.812 4.340 -0.001 0.000 0.254 432 Q C -0.047 176.038 176.000 0.141 0.000 0.975 432 Q CA -0.580 55.297 55.803 0.125 0.000 0.912 432 Q CB 1.154 29.923 28.738 0.051 0.000 1.212 432 Q HN 0.731 nan 8.270 nan 0.000 0.452 433 R N 2.363 122.985 120.500 0.203 0.000 2.490 433 R HA 0.504 4.843 4.340 -0.001 0.000 0.278 433 R C -0.872 175.490 176.300 0.105 0.000 1.069 433 R CA -0.035 56.172 56.100 0.179 0.000 1.080 433 R CB 0.951 31.415 30.300 0.274 0.000 1.030 433 R HN 0.682 nan 8.270 nan 0.000 0.491 434 A N 2.973 125.843 122.820 0.083 0.000 2.388 434 A HA 0.392 4.711 4.320 -0.001 0.000 0.257 434 A C 1.132 178.748 177.584 0.055 0.000 1.095 434 A CA 0.240 52.308 52.037 0.052 0.000 0.791 434 A CB 0.825 19.848 19.000 0.039 0.000 1.029 434 A HN 1.029 nan 8.150 nan 0.000 0.489 435 A N 2.402 125.246 122.820 0.040 0.000 1.903 435 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 435 A C 1.226 178.843 177.584 0.055 0.000 1.191 435 A CA 2.148 54.211 52.037 0.043 0.000 0.638 435 A CB -0.604 18.418 19.000 0.036 0.000 0.823 435 A HN 0.964 nan 8.150 nan 0.000 0.451 436 N N -0.172 118.563 118.700 0.058 0.000 2.469 436 N HA 0.412 5.151 4.740 -0.001 0.000 0.253 436 N C 0.306 175.857 175.510 0.069 0.000 0.970 436 N CA -0.281 52.813 53.050 0.074 0.000 0.940 436 N CB 0.525 39.071 38.487 0.097 0.000 1.128 436 N HN 0.223 nan 8.380 nan 0.000 0.503 437 L N 0.948 122.215 121.223 0.073 0.000 2.353 437 L HA -0.026 4.313 4.340 -0.001 0.000 0.220 437 L C 0.867 177.785 176.870 0.080 0.000 1.133 437 L CA 0.802 55.690 54.840 0.079 0.000 0.798 437 L CB -0.263 41.845 42.059 0.080 0.000 0.922 437 L HN 0.575 nan 8.230 nan 0.000 0.445 438 E N 0.622 120.872 120.200 0.083 0.000 2.232 438 E HA -0.014 4.335 4.350 -0.001 0.000 0.296 438 E C 1.298 177.942 176.600 0.073 0.000 1.372 438 E CA 0.043 56.496 56.400 0.089 0.000 1.527 438 E CB -0.146 29.617 29.700 0.105 0.000 1.424 438 E HN 0.261 nan 8.360 nan 0.000 0.485 439 T N -2.474 112.104 114.554 0.040 0.000 3.085 439 T HA -0.072 4.278 4.350 -0.001 0.000 0.263 439 T C 1.591 176.278 174.700 -0.022 0.000 1.127 439 T CA 1.054 63.145 62.100 -0.015 0.000 1.103 439 T CB -0.033 68.826 68.868 -0.015 0.000 0.921 439 T HN 0.142 nan 8.240 nan 0.000 0.510 440 T N 2.043 116.611 114.554 0.025 0.000 2.770 440 T HA 0.162 4.511 4.350 -0.001 0.000 0.263 440 T C 2.442 177.160 174.700 0.029 0.000 1.039 440 T CA 1.173 63.292 62.100 0.031 0.000 1.142 440 T CB -0.670 68.230 68.868 0.053 0.000 0.868 440 T HN 0.589 nan 8.240 nan 0.000 0.435 441 A N 0.948 123.807 122.820 0.066 0.000 1.969 441 A HA 0.063 4.382 4.320 -0.001 0.000 0.218 441 A C 2.179 179.809 177.584 0.076 0.000 1.169 441 A CA 0.944 53.053 52.037 0.121 0.000 0.635 441 A CB -0.636 18.480 19.000 0.192 0.000 0.810 441 A HN 0.397 nan 8.150 nan 0.000 0.445 442 L N -0.002 121.160 121.223 -0.100 0.000 2.093 442 L HA 0.036 4.375 4.340 -0.001 0.000 0.208 442 L C 2.357 178.775 176.870 -0.754 0.000 1.085 442 L CA 2.107 56.591 54.840 -0.594 0.000 0.755 442 L CB -0.960 40.737 42.059 -0.604 0.000 0.904 442 L HN 0.288 nan 8.230 nan 0.000 0.435 443 G N -1.094 107.508 108.800 -0.331 0.000 2.402 443 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.216 443 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.216 443 G C 1.618 176.537 174.900 0.032 0.000 1.162 443 G CA 0.737 45.809 45.100 -0.048 0.000 0.777 443 G HN 0.598 nan 8.290 nan 0.000 0.539 444 A N 1.194 124.011 122.820 -0.005 0.000 1.940 444 A HA 0.213 4.532 4.320 -0.001 0.000 0.219 444 A C 2.792 180.423 177.584 0.078 0.000 1.176 444 A CA 2.342 54.401 52.037 0.036 0.000 0.631 444 A CB -0.747 18.284 19.000 0.051 0.000 0.814 444 A HN 0.802 nan 8.150 nan 0.000 0.446 445 A N -1.467 121.384 122.820 0.052 0.000 1.930 445 A HA 0.001 4.320 4.320 -0.001 0.000 0.217 445 A C 2.074 179.898 177.584 0.399 0.000 1.175 445 A CA 1.443 53.585 52.037 0.174 0.000 0.627 445 A CB -0.669 18.403 19.000 0.120 0.000 0.815 445 A HN 0.533 nan 8.150 nan 0.000 0.443 446 Y N 0.154 120.568 120.300 0.190 0.000 2.114 446 Y HA -0.121 4.428 4.550 -0.002 0.000 0.284 446 Y C 2.272 178.352 175.900 0.302 0.000 1.143 446 Y CA 0.806 59.035 58.100 0.216 0.000 1.135 446 Y CB -1.208 37.354 38.460 0.169 0.000 0.980 446 Y HN 0.184 nan 8.280 nan 0.000 0.499 447 L N -0.623 120.791 121.223 0.319 0.000 2.081 447 L HA -0.280 4.059 4.340 -0.001 0.000 0.212 447 L C 2.593 179.528 176.870 0.108 0.000 1.080 447 L CA 1.441 56.316 54.840 0.059 0.000 0.754 447 L CB -0.864 41.109 42.059 -0.143 0.000 0.893 447 L HN 0.192 nan 8.230 nan 0.000 0.433 448 A N -0.026 122.883 122.820 0.148 0.000 1.930 448 A HA -0.009 4.310 4.320 -0.001 0.000 0.215 448 A C 2.420 180.080 177.584 0.127 0.000 1.176 448 A CA 1.316 53.404 52.037 0.085 0.000 0.632 448 A CB -1.088 17.945 19.000 0.054 0.000 0.819 448 A HN 0.415 nan 8.150 nan 0.000 0.445 449 G N 0.154 109.144 108.800 0.317 0.000 2.421 449 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.216 449 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.216 449 G C 1.554 176.665 174.900 0.350 0.000 1.171 449 G CA 1.081 46.389 45.100 0.347 0.000 0.775 449 G HN 0.413 nan 8.290 nan 0.000 0.543 450 L N 0.750 122.216 121.223 0.406 0.000 2.042 450 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 450 L C 3.402 180.344 176.870 0.120 0.000 1.076 450 L CA 1.083 56.074 54.840 0.251 0.000 0.749 450 L CB -0.433 41.749 42.059 0.204 0.000 0.893 450 L HN 0.317 nan 8.230 nan 0.000 0.432 451 A N -0.195 122.666 122.820 0.068 0.000 2.019 451 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 451 A C 1.960 179.534 177.584 -0.018 0.000 1.164 451 A CA 1.809 53.837 52.037 -0.016 0.000 0.644 451 A CB -0.552 18.389 19.000 -0.097 0.000 0.805 451 A HN 0.385 nan 8.150 nan 0.000 0.449 452 V N -5.004 114.918 119.914 0.014 0.000 3.528 452 V HA 0.586 4.705 4.120 -0.001 0.000 0.294 452 V C 1.218 177.334 176.094 0.038 0.000 1.404 452 V CA 0.580 62.886 62.300 0.009 0.000 1.065 452 V CB -0.617 31.202 31.823 -0.007 0.000 0.904 452 V HN 1.401 nan 8.190 nan 0.000 0.435 453 G N 0.225 109.060 108.800 0.059 0.000 2.157 453 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.248 453 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.248 453 G C 0.380 175.292 174.900 0.019 0.000 0.979 453 G CA 0.479 45.605 45.100 0.044 0.000 0.650 453 G HN 0.562 nan 8.290 nan 0.000 0.529 454 F N 0.184 120.022 119.950 -0.187 0.000 2.269 454 F HA 0.274 4.800 4.527 -0.001 0.000 0.301 454 F C 0.982 176.422 175.800 -0.600 0.000 1.082 454 F CA 1.209 58.936 58.000 -0.456 0.000 1.360 454 F CB 0.140 38.739 39.000 -0.669 0.000 1.041 454 F HN 0.262 nan 8.300 nan 0.000 0.512 455 W N 0.335 121.696 121.300 0.101 0.000 3.022 455 W HA 0.268 4.928 4.660 -0.001 0.000 0.335 455 W C 0.934 177.442 176.519 -0.017 0.000 1.133 455 W CA -1.212 56.129 57.345 -0.007 0.000 1.219 455 W CB 1.318 30.787 29.460 0.015 0.000 1.409 455 W HN -0.324 nan 8.180 nan 0.000 0.507 456 K N 0.404 120.898 120.400 0.157 0.000 2.031 456 K HA -0.133 4.186 4.320 -0.001 0.000 0.205 456 K C 0.160 176.789 176.600 0.049 0.000 1.049 456 K CA 1.767 58.097 56.287 0.071 0.000 0.939 456 K CB 0.332 32.849 32.500 0.028 0.000 0.717 456 K HN 0.545 nan 8.250 nan 0.000 0.438 457 D N -2.754 117.657 120.400 0.018 0.000 2.692 457 D HA 0.016 4.656 4.640 -0.001 0.000 0.303 457 D C 0.727 176.934 176.300 -0.154 0.000 1.278 457 D CA -0.657 53.312 54.000 -0.052 0.000 0.852 457 D CB 0.083 40.848 40.800 -0.058 0.000 1.375 457 D HN -0.091 nan 8.370 nan 0.000 0.453 458 L N -0.127 120.936 121.223 -0.267 0.000 2.191 458 L HA -0.109 4.230 4.340 -0.001 0.000 0.212 458 L C 1.306 177.972 176.870 -0.341 0.000 1.103 458 L CA 1.365 55.910 54.840 -0.491 0.000 0.769 458 L CB -0.488 41.095 42.059 -0.794 0.000 0.908 458 L HN 0.404 nan 8.230 nan 0.000 0.438 459 D N 0.010 120.284 120.400 -0.210 0.000 2.144 459 D HA -0.212 4.427 4.640 -0.001 0.000 0.200 459 D C 1.998 178.223 176.300 -0.125 0.000 0.978 459 D CA 1.107 55.026 54.000 -0.136 0.000 0.833 459 D CB 0.056 40.802 40.800 -0.089 0.000 0.961 459 D HN 0.439 nan 8.370 nan 0.000 0.470 460 E N 0.493 120.620 120.200 -0.121 0.000 2.204 460 E HA -0.108 4.241 4.350 -0.001 0.000 0.194 460 E C 2.316 178.801 176.600 -0.191 0.000 0.989 460 E CA 0.277 56.620 56.400 -0.094 0.000 0.824 460 E CB 0.102 29.795 29.700 -0.012 0.000 0.756 460 E HN 0.249 nan 8.360 nan 0.000 0.477 461 L N 0.385 121.412 121.223 -0.326 0.000 2.044 461 L HA -0.122 4.217 4.340 -0.001 0.000 0.205 461 L C 2.512 179.188 176.870 -0.322 0.000 1.075 461 L CA 1.036 55.559 54.840 -0.527 0.000 0.747 461 L CB -0.273 41.334 42.059 -0.754 0.000 0.903 461 L HN -0.023 nan 8.230 nan 0.000 0.435 462 K N -0.302 119.985 120.400 -0.189 0.000 2.360 462 K HA -0.108 4.211 4.320 -0.001 0.000 0.201 462 K C 2.215 178.758 176.600 -0.095 0.000 1.046 462 K CA 1.022 57.250 56.287 -0.098 0.000 0.945 462 K CB -0.030 32.448 32.500 -0.037 0.000 0.750 462 K HN 0.215 nan 8.250 nan 0.000 0.464 463 S N 1.782 117.418 115.700 -0.106 0.000 2.335 463 S HA -0.124 4.345 4.470 -0.001 0.000 0.216 463 S C 1.611 176.172 174.600 -0.065 0.000 1.032 463 S CA 1.442 59.599 58.200 -0.071 0.000 1.000 463 S CB -0.151 63.013 63.200 -0.060 0.000 0.928 463 S HN 0.438 nan 8.310 nan 0.000 0.434 464 M N 1.392 120.940 119.600 -0.086 0.000 2.766 464 M HA 0.356 4.835 4.480 -0.001 0.000 0.208 464 M C 0.189 176.457 176.300 -0.053 0.000 1.152 464 M CA -0.174 55.093 55.300 -0.055 0.000 1.013 464 M CB -0.829 31.741 32.600 -0.049 0.000 1.813 464 M HN 0.065 nan 8.290 nan 0.000 0.478 465 A N 1.103 123.888 122.820 -0.059 0.000 2.409 465 A HA 0.261 4.580 4.320 -0.001 0.000 0.262 465 A C 0.718 178.287 177.584 -0.025 0.000 1.113 465 A CA -0.438 51.569 52.037 -0.049 0.000 0.790 465 A CB 0.440 19.404 19.000 -0.060 0.000 1.046 465 A HN 0.672 nan 8.150 nan 0.000 0.496 466 E N 0.866 121.059 120.200 -0.013 0.000 2.079 466 E HA 0.095 4.444 4.350 -0.001 0.000 0.191 466 E C -0.406 176.189 176.600 -0.007 0.000 0.961 466 E CA 0.616 57.015 56.400 -0.002 0.000 0.823 466 E CB 0.154 29.863 29.700 0.014 0.000 0.789 466 E HN 0.880 nan 8.360 nan 0.000 0.459 467 E N -0.365 119.829 120.200 -0.009 0.000 7.497 467 E HA -0.093 4.256 4.350 -0.001 0.000 0.252 467 E C -0.502 176.094 176.600 -0.006 0.000 0.836 467 E CA -0.052 56.341 56.400 -0.012 0.000 1.569 467 E CB -0.780 28.909 29.700 -0.018 0.000 0.905 467 E HN 0.279 nan 8.360 nan 0.000 0.263 468 G N 3.260 112.062 108.800 0.003 0.000 2.510 468 G HA2 0.275 4.234 3.960 -0.001 0.000 0.280 468 G HA3 0.275 4.234 3.960 -0.001 0.000 0.280 468 G C -0.236 174.653 174.900 -0.019 0.000 1.386 468 G CA -0.195 44.911 45.100 0.009 0.000 1.047 468 G HN 0.556 nan 8.290 nan 0.000 0.527 469 Q N -0.809 118.972 119.800 -0.032 0.000 2.337 469 Q HA 0.297 4.636 4.340 -0.001 0.000 0.270 469 Q C -0.243 175.638 176.000 -0.199 0.000 1.002 469 Q CA -0.211 55.500 55.803 -0.153 0.000 0.888 469 Q CB 0.664 29.264 28.738 -0.230 0.000 1.222 469 Q HN 0.386 nan 8.270 nan 0.000 0.400 470 M N 3.384 122.814 119.600 -0.284 0.000 2.409 470 M HA 0.450 4.929 4.480 -0.001 0.000 0.329 470 M C -1.789 174.245 176.300 -0.444 0.000 1.180 470 M CA 0.109 55.288 55.300 -0.202 0.000 1.053 470 M CB 0.830 33.359 32.600 -0.118 0.000 1.586 470 M HN 0.510 nan 8.290 nan 0.000 0.461 471 F N 1.729 121.669 119.950 -0.016 0.000 2.536 471 F HA 0.506 5.032 4.527 -0.002 0.000 0.322 471 F C -0.331 175.453 175.800 -0.027 0.000 1.144 471 F CA -0.507 57.480 58.000 -0.021 0.000 0.924 471 F CB 2.164 41.150 39.000 -0.024 0.000 1.181 471 F HN 0.452 nan 8.300 nan 0.000 0.438 472 T N 4.202 118.822 114.554 0.111 0.000 2.888 472 T HA 0.448 4.798 4.350 -0.001 0.000 0.284 472 T C -2.697 172.031 174.700 0.046 0.000 1.017 472 T CA -1.788 60.344 62.100 0.054 0.000 1.022 472 T CB 1.834 70.709 68.868 0.012 0.000 1.013 472 T HN 0.112 nan 8.240 nan 0.000 0.465 473 P HA 0.168 nan 4.420 nan 0.000 0.268 473 P C -0.028 177.270 177.300 -0.004 0.000 1.204 473 P CA -0.008 63.086 63.100 -0.011 0.000 0.768 473 P CB 0.220 31.902 31.700 -0.030 0.000 0.842 474 E N 2.189 122.386 120.200 -0.005 0.000 3.956 474 E HA 0.265 4.614 4.350 -0.001 0.000 0.177 474 E C -0.809 175.791 176.600 0.001 0.000 1.028 474 E CA -0.367 56.035 56.400 0.003 0.000 1.463 474 E CB 0.100 29.809 29.700 0.015 0.000 1.145 474 E HN 0.288 nan 8.360 nan 0.000 0.423 475 M N 1.837 121.429 119.600 -0.013 0.000 2.326 475 M HA 0.503 4.983 4.480 -0.001 0.000 0.306 475 M C -2.699 173.598 176.300 -0.006 0.000 1.054 475 M CA -1.839 53.455 55.300 -0.010 0.000 0.922 475 M CB 1.838 34.417 32.600 -0.036 0.000 1.632 475 M HN -0.117 nan 8.290 nan 0.000 0.436 476 P HA 0.067 nan 4.420 nan 0.000 0.267 476 P C -0.232 177.074 177.300 0.010 0.000 1.201 476 P CA 0.131 63.237 63.100 0.011 0.000 0.775 476 P CB 0.578 32.290 31.700 0.020 0.000 0.854 477 A N 2.103 124.929 122.820 0.009 0.000 1.933 477 A HA -0.214 4.105 4.320 -0.001 0.000 0.218 477 A C 2.111 179.711 177.584 0.026 0.000 1.175 477 A CA 1.717 53.761 52.037 0.011 0.000 0.628 477 A CB -0.981 18.024 19.000 0.009 0.000 0.814 477 A HN 0.713 nan 8.150 nan 0.000 0.444 478 E N -0.418 119.801 120.200 0.031 0.000 2.072 478 E HA -0.234 4.115 4.350 -0.001 0.000 0.191 478 E C 2.032 178.668 176.600 0.059 0.000 0.985 478 E CA 1.271 57.697 56.400 0.043 0.000 0.801 478 E CB -0.125 29.598 29.700 0.038 0.000 0.750 478 E HN 0.771 nan 8.360 nan 0.000 0.452 479 E N 0.646 120.880 120.200 0.057 0.000 2.051 479 E HA -0.250 4.099 4.350 -0.001 0.000 0.192 479 E C 2.309 178.968 176.600 0.098 0.000 0.991 479 E CA 1.060 57.506 56.400 0.077 0.000 0.799 479 E CB -0.097 29.642 29.700 0.066 0.000 0.748 479 E HN 0.106 nan 8.360 nan 0.000 0.449 480 R N 0.557 121.095 120.500 0.064 0.000 2.083 480 R HA -0.186 4.154 4.340 -0.001 0.000 0.237 480 R C 1.708 178.086 176.300 0.131 0.000 1.137 480 R CA 2.207 58.343 56.100 0.059 0.000 0.951 480 R CB -0.262 30.030 30.300 -0.013 0.000 0.851 480 R HN 0.208 nan 8.270 nan 0.000 0.434 481 D N 0.077 120.543 120.400 0.110 0.000 2.218 481 D HA -0.135 4.504 4.640 -0.001 0.000 0.204 481 D C 1.400 177.797 176.300 0.162 0.000 0.976 481 D CA 0.815 54.901 54.000 0.143 0.000 0.853 481 D CB -0.250 40.607 40.800 0.095 0.000 0.939 481 D HN 0.318 nan 8.370 nan 0.000 0.481 482 N N 0.734 119.521 118.700 0.146 0.000 2.092 482 N HA -0.021 4.718 4.740 -0.001 0.000 0.189 482 N C 2.234 177.870 175.510 0.210 0.000 1.040 482 N CA 0.312 53.449 53.050 0.145 0.000 0.845 482 N CB -0.462 38.102 38.487 0.128 0.000 1.017 482 N HN 0.181 nan 8.380 nan 0.000 0.426 483 L N -0.068 121.325 121.223 0.283 0.000 2.021 483 L HA -0.263 4.076 4.340 -0.001 0.000 0.215 483 L C 2.351 179.478 176.870 0.429 0.000 1.074 483 L CA 1.583 56.689 54.840 0.443 0.000 0.760 483 L CB -0.611 41.756 42.059 0.513 0.000 0.889 483 L HN 0.227 nan 8.230 nan 0.000 0.433 484 Y N 0.756 121.211 120.300 0.257 0.000 2.293 484 Y HA -0.245 4.304 4.550 -0.001 0.000 0.291 484 Y C 2.527 178.467 175.900 0.067 0.000 1.137 484 Y CA 1.704 59.909 58.100 0.175 0.000 1.202 484 Y CB -0.074 38.488 38.460 0.169 0.000 0.990 484 Y HN 0.179 nan 8.280 nan 0.000 0.537 485 E N -0.208 119.986 120.200 -0.009 0.000 2.106 485 E HA -0.059 4.290 4.350 -0.001 0.000 0.192 485 E C 2.443 178.884 176.600 -0.264 0.000 0.984 485 E CA 1.447 57.763 56.400 -0.139 0.000 0.806 485 E CB -0.907 28.780 29.700 -0.021 0.000 0.750 485 E HN 0.466 nan 8.360 nan 0.000 0.458 486 G N 0.770 109.434 108.800 -0.228 0.000 2.418 486 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 486 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.217 486 G C 1.471 175.710 174.900 -1.102 0.000 1.158 486 G CA 0.751 45.551 45.100 -0.498 0.000 0.771 486 G HN 0.449 nan 8.290 nan 0.000 0.545 487 W N 1.755 122.286 121.300 -1.282 0.000 2.333 487 W HA -0.107 4.552 4.660 -0.002 0.000 0.316 487 W C 2.217 178.272 176.519 -0.773 0.000 1.215 487 W CA 1.680 58.324 57.345 -1.169 0.000 1.278 487 W CB -0.191 28.608 29.460 -1.100 0.000 1.154 487 W HN 0.212 nan 8.180 nan 0.000 0.486 488 K N 0.240 120.233 120.400 -0.680 0.000 2.103 488 K HA -0.245 4.074 4.320 -0.001 0.000 0.207 488 K C 2.189 178.435 176.600 -0.591 0.000 1.048 488 K CA 2.114 58.049 56.287 -0.586 0.000 0.930 488 K CB -0.486 31.766 32.500 -0.413 0.000 0.716 488 K HN 0.310 nan 8.250 nan 0.000 0.444 489 Q N -0.286 119.169 119.800 -0.576 0.000 2.230 489 Q HA -0.032 4.307 4.340 -0.001 0.000 0.202 489 Q C 2.128 177.690 176.000 -0.729 0.000 0.963 489 Q CA 1.012 56.498 55.803 -0.528 0.000 0.866 489 Q CB 0.026 28.520 28.738 -0.408 0.000 0.931 489 Q HN 0.351 nan 8.270 nan 0.000 0.452 490 A N 0.273 122.534 122.820 -0.932 0.000 1.897 490 A HA -0.094 4.225 4.320 -0.001 0.000 0.215 490 A C 2.256 179.232 177.584 -1.013 0.000 1.181 490 A CA 0.981 52.322 52.037 -1.160 0.000 0.620 490 A CB -0.452 18.026 19.000 -0.870 0.000 0.821 490 A HN 0.188 nan 8.150 nan 0.000 0.443 491 V N -0.115 119.195 119.914 -1.006 0.000 2.427 491 V HA -0.197 3.923 4.120 -0.001 0.000 0.248 491 V C 3.005 178.735 176.094 -0.606 0.000 1.051 491 V CA 1.729 63.495 62.300 -0.891 0.000 1.048 491 V CB -1.079 30.064 31.823 -1.134 0.000 0.666 491 V HN 0.594 nan 8.190 nan 0.000 0.456 492 A N 0.070 122.568 122.820 -0.535 0.000 1.933 492 A HA -0.071 4.248 4.320 -0.001 0.000 0.218 492 A C 2.387 179.799 177.584 -0.286 0.000 1.175 492 A CA 1.937 53.767 52.037 -0.346 0.000 0.628 492 A CB -0.640 18.180 19.000 -0.300 0.000 0.814 492 A HN 0.551 nan 8.150 nan 0.000 0.444 493 A N -1.184 121.394 122.820 -0.403 0.000 1.968 493 A HA -0.002 4.317 4.320 -0.001 0.000 0.217 493 A C 2.236 179.826 177.584 0.010 0.000 1.169 493 A CA 2.026 53.904 52.037 -0.266 0.000 0.638 493 A CB -0.995 17.652 19.000 -0.589 0.000 0.812 493 A HN 0.412 nan 8.150 nan 0.000 0.446 494 T N 0.073 114.608 114.554 -0.030 0.000 2.821 494 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 494 T C 1.911 176.653 174.700 0.069 0.000 1.046 494 T CA 1.608 63.791 62.100 0.138 0.000 1.139 494 T CB -0.207 68.666 68.868 0.008 0.000 0.871 494 T HN 0.612 nan 8.240 nan 0.000 0.454 495 Q N 0.645 120.415 119.800 -0.050 0.000 2.369 495 Q HA -0.053 4.286 4.340 -0.001 0.000 0.206 495 Q C 2.543 178.570 176.000 0.045 0.000 0.963 495 Q CA 1.307 57.099 55.803 -0.018 0.000 0.894 495 Q CB -0.196 28.490 28.738 -0.086 0.000 0.965 495 Q HN 0.687 nan 8.270 nan 0.000 0.475 496 T N -2.067 112.518 114.554 0.052 0.000 2.985 496 T HA -0.067 4.283 4.350 -0.001 0.000 0.266 496 T C 0.427 175.192 174.700 0.107 0.000 1.076 496 T CA 0.105 62.234 62.100 0.049 0.000 1.135 496 T CB -0.035 68.839 68.868 0.009 0.000 0.890 496 T HN 0.043 nan 8.240 nan 0.000 0.480 497 F N 3.566 123.514 119.950 -0.002 0.000 2.377 497 F HA 0.526 5.052 4.527 -0.001 0.000 0.360 497 F C -0.149 175.616 175.800 -0.060 0.000 1.147 497 F CA -2.288 55.675 58.000 -0.061 0.000 1.170 497 F CB -0.077 38.928 39.000 0.008 0.000 1.339 497 F HN -0.002 nan 8.300 nan 0.000 0.552 498 K N 6.218 126.779 120.400 0.269 0.000 2.234 498 K HA 0.336 4.655 4.320 -0.001 0.000 0.277 498 K C -1.114 175.513 176.600 0.046 0.000 1.038 498 K CA -0.318 56.071 56.287 0.170 0.000 0.888 498 K CB 1.075 33.640 32.500 0.109 0.000 1.091 498 K HN 0.334 nan 8.250 nan 0.000 0.467 499 F N 3.130 123.143 119.950 0.104 0.000 2.391 499 F HA 0.294 4.820 4.527 -0.001 0.000 0.359 499 F C 0.958 176.797 175.800 0.065 0.000 1.122 499 F CA 0.366 58.407 58.000 0.067 0.000 1.120 499 F CB 0.783 39.760 39.000 -0.039 0.000 1.142 499 F HN 0.665 nan 8.300 nan 0.000 0.483 500 K N 0.000 120.509 120.400 0.182 0.000 2.780 500 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 500 K CA 0.000 56.367 56.287 0.134 0.000 0.838 500 K CB 0.000 32.586 32.500 0.143 0.000 1.064 500 K HN 0.000 nan 8.250 nan 0.000 0.543