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 2zxc_1_B DATA FIRST_RESID 2 DATA SEQUENCE DLPYRFGLGK ADITGEAAEV GMMGYSSLEQ KTAGIHMRQW ARAFVIEEAA DATA SEQUENCE SGRRLVYVNT DLGMIFQAVH LKVLARLKAK YPGVYDENNV MLAATHTHSG DATA SEQUENCE PGGFSHYAMY NLSVLGFQEK TFNAIVDGIV RSIERAQARL QPGRLFYGSG DATA SEQUENCE ELRNASRNRS LLSHLKNPDI AGYEDGIDPQ MSVLSFVDAN GELAGAISWF DATA SEQUENCE PVHSTSMTNA NHLISPDNKG YASYHWEHDV SRKSGFVAAF AQTNAGNLSP DATA SEQUENCE NLNLKPGSGP FDNEFDNTRE IGLRQFAKAY EIAGQAQEEV LGELDSRFRF DATA SEQUENCE VDFTRLPIRP EFTDGQPRQL CTAAIGTSLA AGSTEDGPGP LGLEEGNNPF DATA SEQUENCE LSALGGLLTG VPPQELVQCQ AEKTILADTG NKKPYPWTPT VLPIQMFRIG DATA SEQUENCE QLELLGAPAE FTVMAGVRIR RAVQAASEAA GIRHVVFNGY ANAYASYVTT DATA SEQUENCE REEYAAQEYE GGSTLYGPWT QAAYQQLFVD MAVALRERLP VETSAIAPDL DATA SEQUENCE SCCQMNFQTG VVADDPYIGK SFGDVLQQPR ESYRIGDKVT VAFVTGHPKN DATA SEQUENCE DLRTEKTFLE VVNIGKDGKQ TPVTVATDND WDTQYRWERV GISASKATIS DATA SEQUENCE WSIPPGTEPG HYYIRHYGNA KNFWTQKISE IGGSTRSFEV LGT 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.280 176.300 -0.033 0.000 2.045 2 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 2 D CB 0.000 40.792 40.800 -0.013 0.000 0.688 3 L N 3.442 124.649 121.223 -0.026 0.000 2.380 3 L HA 0.318 4.684 4.340 0.044 0.000 0.273 3 L C -1.059 175.762 176.870 -0.082 0.000 1.138 3 L CA -1.133 53.690 54.840 -0.027 0.000 0.832 3 L CB 1.027 43.096 42.059 0.017 0.000 1.124 3 L HN 0.301 nan 8.230 nan 0.000 0.454 4 P HA -0.135 nan 4.420 nan 0.000 0.217 4 P C -0.235 176.763 177.300 -0.503 0.000 1.150 4 P CA 1.508 64.360 63.100 -0.414 0.000 0.832 4 P CB 0.233 31.575 31.700 -0.597 0.000 0.787 5 Y N -1.120 119.202 120.300 0.036 0.000 2.693 5 Y HA 0.611 5.184 4.550 0.038 0.000 0.331 5 Y C 0.921 176.857 175.900 0.060 0.000 1.092 5 Y CA -1.255 56.887 58.100 0.071 0.000 1.131 5 Y CB 1.310 39.852 38.460 0.136 0.000 1.318 5 Y HN -0.370 nan 8.280 nan 0.000 0.510 6 R N 1.088 121.754 120.500 0.277 0.000 2.698 6 R HA 0.595 4.961 4.340 0.044 0.000 0.275 6 R C -1.987 174.404 176.300 0.152 0.000 1.001 6 R CA -0.779 55.341 56.100 0.033 0.000 0.896 6 R CB 2.271 32.559 30.300 -0.020 0.000 1.218 6 R HN 0.686 nan 8.270 nan 0.000 0.462 7 F N -1.737 118.289 119.950 0.126 0.000 2.613 7 F HA 0.845 5.398 4.527 0.043 0.000 0.310 7 F C -0.465 175.310 175.800 -0.042 0.000 1.085 7 F CA -1.358 56.689 58.000 0.079 0.000 0.945 7 F CB 2.116 41.232 39.000 0.194 0.000 1.298 7 F HN 0.575 nan 8.300 nan 0.000 0.455 8 G N 2.133 110.993 108.800 0.101 0.000 2.643 8 G HA2 0.640 4.626 3.960 0.044 0.000 0.305 8 G HA3 0.640 4.626 3.960 0.044 0.000 0.305 8 G C -1.976 172.827 174.900 -0.162 0.000 1.387 8 G CA -0.983 44.094 45.100 -0.037 0.000 0.982 8 G HN 0.783 nan 8.290 nan 0.000 0.501 9 L N 2.249 123.329 121.223 -0.238 0.000 2.305 9 L HA 0.747 5.114 4.340 0.044 0.000 0.284 9 L C 0.605 177.245 176.870 -0.384 0.000 1.013 9 L CA -0.729 53.810 54.840 -0.500 0.000 0.819 9 L CB 1.928 43.664 42.059 -0.538 0.000 1.227 9 L HN 0.630 nan 8.230 nan 0.000 0.417 10 G N 2.274 110.822 108.800 -0.419 0.000 2.519 10 G HA2 0.657 4.643 3.960 0.044 0.000 0.307 10 G HA3 0.657 4.643 3.960 0.044 0.000 0.307 10 G C -1.722 173.036 174.900 -0.238 0.000 1.266 10 G CA -0.483 44.461 45.100 -0.260 0.000 0.970 10 G HN 0.461 nan 8.290 nan 0.000 0.481 11 K N -0.212 120.111 120.400 -0.128 0.000 2.501 11 K HA 0.706 5.052 4.320 0.044 0.000 0.252 11 K C -1.246 175.418 176.600 0.107 0.000 0.934 11 K CA -0.673 55.596 56.287 -0.031 0.000 0.797 11 K CB 2.193 34.624 32.500 -0.115 0.000 1.270 11 K HN 0.876 nan 8.250 nan 0.000 0.431 12 A N 2.626 125.587 122.820 0.235 0.000 2.549 12 A HA 0.332 4.678 4.320 0.044 0.000 0.297 12 A C -1.585 176.118 177.584 0.198 0.000 1.061 12 A CA -0.769 51.403 52.037 0.224 0.000 0.690 12 A CB 1.518 20.547 19.000 0.049 0.000 1.287 12 A HN 0.751 nan 8.150 nan 0.000 0.402 13 D N 1.339 121.700 120.400 -0.065 0.000 2.425 13 D HA 0.292 4.958 4.640 0.044 0.000 0.247 13 D C 0.690 176.755 176.300 -0.391 0.000 1.147 13 D CA 0.321 53.955 54.000 -0.610 0.000 0.879 13 D CB 0.480 40.923 40.800 -0.594 0.000 1.179 13 D HN 0.570 nan 8.370 nan 0.000 0.456 14 I N -0.192 120.110 120.570 -0.447 0.000 3.994 14 I HA 0.193 4.390 4.170 0.044 0.000 0.323 14 I C 0.056 175.981 176.117 -0.320 0.000 1.501 14 I CA -0.629 60.482 61.300 -0.315 0.000 1.112 14 I CB 0.388 38.237 38.000 -0.253 0.000 1.254 14 I HN -0.023 nan 8.210 nan 0.000 0.495 15 T N 2.488 116.827 114.554 -0.358 0.000 2.902 15 T HA 0.380 4.756 4.350 0.044 0.000 0.301 15 T C 0.839 175.431 174.700 -0.180 0.000 1.012 15 T CA 0.488 62.434 62.100 -0.256 0.000 1.151 15 T CB 1.233 69.959 68.868 -0.236 0.000 0.946 15 T HN 0.552 nan 8.240 nan 0.000 0.542 16 G N 1.702 110.417 108.800 -0.141 0.000 2.606 16 G HA2 0.391 4.377 3.960 0.044 0.000 0.262 16 G HA3 0.391 4.377 3.960 0.044 0.000 0.262 16 G C -0.588 174.285 174.900 -0.044 0.000 1.394 16 G CA -0.870 44.166 45.100 -0.107 0.000 1.044 16 G HN 0.719 nan 8.290 nan 0.000 0.553 17 E N 0.176 120.354 120.200 -0.036 0.000 2.491 17 E HA 0.256 4.633 4.350 0.044 0.000 0.250 17 E C 1.118 177.715 176.600 -0.005 0.000 1.061 17 E CA 0.142 56.532 56.400 -0.016 0.000 0.942 17 E CB 1.085 30.764 29.700 -0.034 0.000 0.957 17 E HN 0.467 nan 8.360 nan 0.000 0.480 18 A N 3.610 126.431 122.820 0.002 0.000 2.168 18 A HA 0.170 4.516 4.320 0.044 0.000 0.215 18 A C 0.790 178.324 177.584 -0.084 0.000 1.152 18 A CA 1.024 53.053 52.037 -0.013 0.000 0.716 18 A CB 0.259 19.254 19.000 -0.009 0.000 0.794 18 A HN 0.546 nan 8.150 nan 0.000 0.465 19 A N -1.069 121.661 122.820 -0.150 0.000 2.488 19 A HA 0.587 4.933 4.320 0.044 0.000 0.298 19 A C -0.063 177.459 177.584 -0.104 0.000 1.044 19 A CA -0.183 51.704 52.037 -0.251 0.000 0.693 19 A CB 0.589 19.068 19.000 -0.868 0.000 1.272 19 A HN 0.402 nan 8.150 nan 0.000 0.402 20 E N -0.647 119.535 120.200 -0.029 0.000 2.442 20 E HA -0.154 4.222 4.350 0.044 0.000 0.256 20 E C -0.545 176.078 176.600 0.037 0.000 1.095 20 E CA 0.997 57.425 56.400 0.045 0.000 0.747 20 E CB -1.572 28.189 29.700 0.103 0.000 1.310 20 E HN 1.346 nan 8.360 nan 0.000 0.396 21 V N -0.495 119.444 119.914 0.043 0.000 2.612 21 V HA 0.631 4.777 4.120 0.044 0.000 0.301 21 V C 0.558 176.697 176.094 0.076 0.000 1.059 21 V CA 0.160 62.485 62.300 0.041 0.000 0.886 21 V CB 1.667 33.502 31.823 0.020 0.000 1.007 21 V HN 0.310 nan 8.190 nan 0.000 0.426 22 G N 6.248 115.098 108.800 0.082 0.000 2.287 22 G HA2 0.227 4.213 3.960 0.044 0.000 0.235 22 G HA3 0.227 4.213 3.960 0.044 0.000 0.235 22 G C -0.140 174.832 174.900 0.119 0.000 1.258 22 G CA -0.049 45.116 45.100 0.109 0.000 0.884 22 G HN 0.834 nan 8.290 nan 0.000 0.518 23 M N 1.312 120.992 119.600 0.134 0.000 2.250 23 M HA 0.298 4.804 4.480 0.044 0.000 0.344 23 M C 0.455 176.816 176.300 0.101 0.000 1.150 23 M CA -0.404 54.968 55.300 0.121 0.000 1.147 23 M CB 1.454 34.129 32.600 0.124 0.000 1.498 23 M HN 0.508 nan 8.290 nan 0.000 0.461 24 M N 2.436 122.081 119.600 0.074 0.000 2.108 24 M HA 0.460 4.966 4.480 0.044 0.000 0.354 24 M C 0.368 176.540 176.300 -0.214 0.000 1.229 24 M CA 0.617 55.926 55.300 0.015 0.000 1.081 24 M CB 0.125 32.796 32.600 0.118 0.000 1.606 24 M HN 0.796 nan 8.290 nan 0.000 0.467 25 G N 3.584 112.247 108.800 -0.229 0.000 3.180 25 G HA2 -0.218 3.768 3.960 0.044 0.000 0.197 25 G HA3 -0.218 3.768 3.960 0.044 0.000 0.197 25 G C 0.581 175.435 174.900 -0.076 0.000 1.149 25 G CA -0.016 44.752 45.100 -0.553 0.000 0.847 25 G HN 0.647 nan 8.290 nan 0.000 0.469 26 Y N 1.817 122.225 120.300 0.181 0.000 2.466 26 Y HA 0.395 4.971 4.550 0.044 0.000 0.272 26 Y C 1.872 177.864 175.900 0.153 0.000 1.169 26 Y CA 0.503 58.715 58.100 0.187 0.000 1.285 26 Y CB 0.631 39.167 38.460 0.126 0.000 1.078 26 Y HN 0.211 nan 8.280 nan 0.000 0.523 27 S N 0.592 116.454 115.700 0.270 0.000 3.533 27 S HA -0.222 4.274 4.470 0.044 0.000 0.347 27 S C 0.310 175.027 174.600 0.195 0.000 1.101 27 S CA 0.808 59.142 58.200 0.224 0.000 1.009 27 S CB -1.406 61.940 63.200 0.243 0.000 0.916 27 S HN 0.407 nan 8.310 nan 0.000 0.496 28 S N 0.575 116.395 115.700 0.201 0.000 2.475 28 S HA 0.503 4.999 4.470 0.044 0.000 0.281 28 S C 1.075 175.759 174.600 0.139 0.000 1.198 28 S CA -0.916 57.378 58.200 0.156 0.000 1.063 28 S CB 0.743 64.031 63.200 0.146 0.000 0.972 28 S HN 0.358 nan 8.310 nan 0.000 0.486 29 L N 4.465 125.758 121.223 0.116 0.000 2.083 29 L HA -0.028 4.338 4.340 0.044 0.000 0.209 29 L C 2.537 179.474 176.870 0.113 0.000 1.083 29 L CA 2.055 56.959 54.840 0.106 0.000 0.752 29 L CB -1.060 41.051 42.059 0.087 0.000 0.899 29 L HN 0.939 nan 8.230 nan 0.000 0.433 30 E N 0.276 120.546 120.200 0.117 0.000 2.072 30 E HA -0.267 4.109 4.350 0.044 0.000 0.191 30 E C 1.150 177.881 176.600 0.218 0.000 0.985 30 E CA 0.467 56.951 56.400 0.141 0.000 0.801 30 E CB -0.195 29.583 29.700 0.129 0.000 0.750 30 E HN 0.526 nan 8.360 nan 0.000 0.452 31 Q N 1.796 121.720 119.800 0.206 0.000 2.580 31 Q HA 0.020 4.386 4.340 0.044 0.000 0.232 31 Q C -0.867 175.293 176.000 0.267 0.000 1.326 31 Q CA 0.200 56.145 55.803 0.238 0.000 0.887 31 Q CB -0.005 28.810 28.738 0.128 0.000 1.617 31 Q HN 0.060 nan 8.270 nan 0.000 0.554 32 K N 1.364 121.966 120.400 0.338 0.000 2.118 32 K HA 0.268 4.614 4.320 0.044 0.000 0.254 32 K C 0.014 176.763 176.600 0.248 0.000 0.961 32 K CA -0.586 55.831 56.287 0.217 0.000 0.876 32 K CB 1.242 33.821 32.500 0.132 0.000 1.077 32 K HN 0.463 nan 8.250 nan 0.000 0.440 33 T N -1.461 113.184 114.554 0.152 0.000 2.940 33 T HA 0.236 4.612 4.350 0.044 0.000 0.309 33 T C 0.527 175.281 174.700 0.091 0.000 1.056 33 T CA -0.545 61.630 62.100 0.125 0.000 1.137 33 T CB 0.860 69.767 68.868 0.066 0.000 0.976 33 T HN 0.627 nan 8.240 nan 0.000 0.547 34 A N 1.668 124.548 122.820 0.100 0.000 2.573 34 A HA 0.773 5.119 4.320 0.044 0.000 0.269 34 A C 0.741 178.314 177.584 -0.018 0.000 0.901 34 A CA 0.025 52.110 52.037 0.079 0.000 1.066 34 A CB -0.128 18.902 19.000 0.050 0.000 1.221 34 A HN 1.871 nan 8.150 nan 0.000 0.483 35 G N -0.576 108.196 108.800 -0.046 0.000 2.350 35 G HA2 0.354 4.341 3.960 0.044 0.000 0.282 35 G HA3 0.354 4.341 3.960 0.044 0.000 0.282 35 G C -1.638 173.312 174.900 0.082 0.000 1.314 35 G CA -0.431 44.584 45.100 -0.142 0.000 0.915 35 G HN 0.532 nan 8.290 nan 0.000 0.499 36 I N 0.067 120.757 120.570 0.201 0.000 2.619 36 I HA 0.408 4.604 4.170 0.044 0.000 0.292 36 I C 0.832 177.105 176.117 0.260 0.000 1.100 36 I CA -0.752 60.694 61.300 0.242 0.000 1.043 36 I CB 2.435 40.610 38.000 0.291 0.000 1.239 36 I HN 0.886 nan 8.210 nan 0.000 0.420 37 H N 6.190 125.323 119.070 0.104 0.000 2.355 37 H HA 0.416 4.998 4.556 0.044 0.000 0.312 37 H C -0.042 175.318 175.328 0.054 0.000 1.051 37 H CA 0.237 56.316 56.048 0.053 0.000 1.389 37 H CB 0.916 30.713 29.762 0.059 0.000 1.455 37 H HN 0.385 nan 8.280 nan 0.000 0.575 38 M N 1.065 120.698 119.600 0.055 0.000 2.550 38 M HA 0.346 4.853 4.480 0.044 0.000 0.292 38 M C -0.689 175.675 176.300 0.107 0.000 1.221 38 M CA -0.729 54.580 55.300 0.014 0.000 0.873 38 M CB 3.363 35.893 32.600 -0.116 0.000 1.727 38 M HN 0.166 nan 8.290 nan 0.000 0.459 39 R N 0.846 121.448 120.500 0.169 0.000 2.649 39 R HA 0.350 4.716 4.340 0.044 0.000 0.270 39 R C -0.565 175.681 176.300 -0.090 0.000 1.105 39 R CA -0.442 55.650 56.100 -0.014 0.000 1.193 39 R CB 0.646 30.823 30.300 -0.205 0.000 1.120 39 R HN 0.594 nan 8.270 nan 0.000 0.561 40 Q N 0.682 120.276 119.800 -0.343 0.000 2.271 40 Q HA 0.258 4.624 4.340 0.044 0.000 0.258 40 Q C -1.257 174.432 176.000 -0.518 0.000 0.936 40 Q CA -0.254 55.409 55.803 -0.234 0.000 0.909 40 Q CB 1.371 30.003 28.738 -0.176 0.000 1.253 40 Q HN 0.370 nan 8.270 nan 0.000 0.440 41 W N 0.525 121.825 121.300 -0.000 0.000 2.781 41 W HA 0.677 5.364 4.660 0.045 0.000 0.345 41 W C -0.683 175.822 176.519 -0.024 0.000 1.085 41 W CA -0.866 56.472 57.345 -0.011 0.000 1.198 41 W CB 1.453 30.924 29.460 0.018 0.000 1.423 41 W HN 0.593 nan 8.180 nan 0.000 0.532 42 A N 2.400 125.335 122.820 0.192 0.000 2.276 42 A HA 0.814 5.160 4.320 0.044 0.000 0.316 42 A C -0.515 177.127 177.584 0.097 0.000 1.229 42 A CA -0.887 51.198 52.037 0.080 0.000 0.851 42 A CB 0.478 19.476 19.000 -0.003 0.000 1.165 42 A HN 0.719 nan 8.150 nan 0.000 0.513 43 R N 1.902 122.452 120.500 0.085 0.000 2.320 43 R HA 0.550 4.916 4.340 0.044 0.000 0.319 43 R C -0.387 175.938 176.300 0.042 0.000 0.969 43 R CA -0.197 55.927 56.100 0.040 0.000 0.857 43 R CB 1.890 32.295 30.300 0.175 0.000 1.160 43 R HN 0.781 nan 8.270 nan 0.000 0.491 44 A N 3.459 126.174 122.820 -0.175 0.000 2.301 44 A HA 0.694 5.041 4.320 0.044 0.000 0.312 44 A C -0.960 176.396 177.584 -0.381 0.000 1.182 44 A CA -0.397 51.572 52.037 -0.112 0.000 0.826 44 A CB 0.403 19.329 19.000 -0.124 0.000 1.134 44 A HN 0.580 nan 8.150 nan 0.000 0.501 45 F N 2.071 122.002 119.950 -0.031 0.000 2.500 45 F HA 0.403 4.956 4.527 0.043 0.000 0.349 45 F C -0.132 175.688 175.800 0.032 0.000 1.127 45 F CA -0.714 57.231 58.000 -0.091 0.000 0.998 45 F CB 1.830 40.777 39.000 -0.089 0.000 1.237 45 F HN 0.250 nan 8.300 nan 0.000 0.439 46 V N 5.176 125.152 119.914 0.104 0.000 2.432 46 V HA 0.424 4.570 4.120 0.044 0.000 0.275 46 V C 0.183 176.397 176.094 0.200 0.000 1.043 46 V CA -0.536 61.852 62.300 0.146 0.000 0.925 46 V CB 1.451 33.325 31.823 0.085 0.000 0.985 46 V HN 0.513 nan 8.190 nan 0.000 0.466 47 I N 4.517 125.216 120.570 0.215 0.000 2.436 47 I HA 0.499 4.696 4.170 0.044 0.000 0.289 47 I C -0.117 176.098 176.117 0.163 0.000 1.010 47 I CA -0.409 61.032 61.300 0.234 0.000 1.098 47 I CB 1.837 39.966 38.000 0.215 0.000 1.266 47 I HN 0.576 nan 8.210 nan 0.000 0.434 48 E N 5.025 125.334 120.200 0.183 0.000 2.199 48 E HA 0.293 4.669 4.350 0.044 0.000 0.269 48 E C -0.974 175.757 176.600 0.218 0.000 0.899 48 E CA -0.752 55.732 56.400 0.141 0.000 0.772 48 E CB 2.660 32.408 29.700 0.079 0.000 1.155 48 E HN 0.482 nan 8.360 nan 0.000 0.408 49 E N 1.733 122.032 120.200 0.166 0.000 2.089 49 E HA 0.196 4.572 4.350 0.044 0.000 0.284 49 E C 0.376 176.997 176.600 0.035 0.000 1.023 49 E CA -0.185 56.304 56.400 0.148 0.000 0.819 49 E CB 1.118 30.880 29.700 0.105 0.000 1.076 49 E HN 0.705 nan 8.360 nan 0.000 0.396 50 A N 4.496 127.308 122.820 -0.014 0.000 1.908 50 A HA -0.220 4.126 4.320 0.044 0.000 0.218 50 A C 2.114 179.668 177.584 -0.049 0.000 1.181 50 A CA 1.874 53.889 52.037 -0.037 0.000 0.627 50 A CB -0.453 18.509 19.000 -0.063 0.000 0.818 50 A HN 0.724 nan 8.150 nan 0.000 0.445 51 A N -0.583 122.191 122.820 -0.076 0.000 1.908 51 A HA -0.034 4.312 4.320 0.044 0.000 0.218 51 A C 2.223 179.784 177.584 -0.037 0.000 1.181 51 A CA 2.202 54.201 52.037 -0.063 0.000 0.627 51 A CB -0.606 18.345 19.000 -0.081 0.000 0.818 51 A HN 0.523 nan 8.150 nan 0.000 0.445 52 S N -2.503 113.182 115.700 -0.025 0.000 3.224 52 S HA 0.522 5.018 4.470 0.044 0.000 0.171 52 S C 1.410 176.001 174.600 -0.014 0.000 0.846 52 S CA 0.269 58.460 58.200 -0.015 0.000 1.328 52 S CB -0.128 63.070 63.200 -0.004 0.000 0.614 52 S HN 1.026 nan 8.310 nan 0.000 0.578 53 G N -0.290 108.504 108.800 -0.010 0.000 4.476 53 G HA2 0.121 4.108 3.960 0.044 0.000 0.169 53 G HA3 0.121 4.108 3.960 0.044 0.000 0.169 53 G C -0.157 174.733 174.900 -0.018 0.000 0.802 53 G CA -0.631 44.459 45.100 -0.016 0.000 0.782 53 G HN 0.226 nan 8.290 nan 0.000 0.461 54 R N 0.888 121.382 120.500 -0.010 0.000 2.638 54 R HA 0.347 4.713 4.340 0.044 0.000 0.268 54 R C 0.244 176.540 176.300 -0.008 0.000 1.006 54 R CA 0.524 56.615 56.100 -0.015 0.000 1.088 54 R CB 0.417 30.713 30.300 -0.006 0.000 0.950 54 R HN 0.248 nan 8.270 nan 0.000 0.419 55 R N 3.227 123.709 120.500 -0.029 0.000 2.744 55 R HA 0.496 4.862 4.340 0.044 0.000 0.279 55 R C -1.368 174.918 176.300 -0.024 0.000 0.977 55 R CA -0.642 55.456 56.100 -0.004 0.000 0.906 55 R CB 1.210 31.498 30.300 -0.019 0.000 1.197 55 R HN 0.445 nan 8.270 nan 0.000 0.463 56 L N 3.164 124.381 121.223 -0.010 0.000 2.388 56 L HA 0.640 5.007 4.340 0.044 0.000 0.264 56 L C -1.074 175.861 176.870 0.109 0.000 0.998 56 L CA -1.240 53.523 54.840 -0.128 0.000 0.817 56 L CB 2.515 44.364 42.059 -0.350 0.000 1.338 56 L HN 0.333 nan 8.230 nan 0.000 0.414 57 V N 1.681 121.721 119.914 0.210 0.000 2.577 57 V HA 0.381 4.527 4.120 0.044 0.000 0.303 57 V C -1.448 174.934 176.094 0.479 0.000 1.042 57 V CA -0.696 61.768 62.300 0.274 0.000 0.872 57 V CB 1.879 33.734 31.823 0.052 0.000 0.998 57 V HN 0.573 nan 8.190 nan 0.000 0.423 58 Y N 4.617 125.113 120.300 0.328 0.000 2.350 58 Y HA 0.778 5.357 4.550 0.047 0.000 0.338 58 Y C -0.964 175.083 175.900 0.245 0.000 0.961 58 Y CA -0.715 57.563 58.100 0.296 0.000 1.100 58 Y CB 1.993 40.633 38.460 0.301 0.000 1.179 58 Y HN 0.414 nan 8.280 nan 0.000 0.454 59 V N 5.982 125.621 119.914 -0.458 0.000 2.483 59 V HA 0.329 4.475 4.120 0.044 0.000 0.297 59 V C -0.911 174.873 176.094 -0.516 0.000 1.027 59 V CA -0.912 61.204 62.300 -0.305 0.000 0.855 59 V CB 1.541 33.276 31.823 -0.146 0.000 0.995 59 V HN 0.793 nan 8.190 nan 0.000 0.424 60 N N 2.851 121.381 118.700 -0.282 0.000 2.400 60 N HA 0.660 5.426 4.740 0.044 0.000 0.288 60 N C -0.323 175.179 175.510 -0.013 0.000 1.024 60 N CA -0.194 52.761 53.050 -0.158 0.000 0.894 60 N CB 1.731 40.229 38.487 0.018 0.000 1.173 60 N HN 0.865 nan 8.380 nan 0.000 0.487 61 T N -0.453 114.092 114.554 -0.016 0.000 2.885 61 T HA 0.369 4.745 4.350 0.044 0.000 0.285 61 T C -0.536 174.180 174.700 0.028 0.000 1.019 61 T CA -0.948 61.156 62.100 0.006 0.000 1.010 61 T CB 1.075 69.919 68.868 -0.040 0.000 1.022 61 T HN 0.263 nan 8.240 nan 0.000 0.466 62 D N 2.897 123.325 120.400 0.047 0.000 2.688 62 D HA 0.337 5.004 4.640 0.044 0.000 0.228 62 D C -0.094 176.199 176.300 -0.012 0.000 1.116 62 D CA 0.210 54.243 54.000 0.055 0.000 1.023 62 D CB -0.279 40.586 40.800 0.109 0.000 1.100 62 D HN 0.467 nan 8.370 nan 0.000 0.487 63 L N -1.428 119.781 121.223 -0.024 0.000 2.303 63 L HA 0.441 4.807 4.340 0.044 0.000 0.256 63 L C 1.800 178.650 176.870 -0.034 0.000 1.034 63 L CA -1.139 53.683 54.840 -0.031 0.000 0.832 63 L CB 1.673 43.708 42.059 -0.040 0.000 1.403 63 L HN 0.067 nan 8.230 nan 0.000 0.419 64 G N 0.795 109.582 108.800 -0.021 0.000 2.443 64 G HA2 0.089 4.075 3.960 0.044 0.000 0.219 64 G HA3 0.089 4.075 3.960 0.044 0.000 0.219 64 G C 0.376 175.169 174.900 -0.179 0.000 1.131 64 G CA 0.980 45.970 45.100 -0.182 0.000 0.775 64 G HN 0.509 nan 8.290 nan 0.000 0.547 65 M N -1.012 118.453 119.600 -0.225 0.000 3.122 65 M HA 0.276 4.783 4.480 0.044 0.000 0.267 65 M C -2.072 174.062 176.300 -0.276 0.000 0.971 65 M CA -1.207 53.904 55.300 -0.315 0.000 0.788 65 M CB 1.070 33.256 32.600 -0.691 0.000 1.611 65 M HN 0.116 nan 8.290 nan 0.000 0.560 66 I N 0.441 120.915 120.570 -0.160 0.000 2.371 66 I HA 0.555 4.751 4.170 0.044 0.000 0.282 66 I C -1.184 174.951 176.117 0.030 0.000 1.031 66 I CA -0.399 60.909 61.300 0.012 0.000 1.180 66 I CB -0.293 37.763 38.000 0.093 0.000 1.336 66 I HN 0.651 nan 8.210 nan 0.000 0.467 67 F N 3.522 123.616 119.950 0.241 0.000 2.485 67 F HA 0.131 4.685 4.527 0.045 0.000 0.327 67 F C 2.083 178.049 175.800 0.277 0.000 1.203 67 F CA -0.011 58.117 58.000 0.214 0.000 1.295 67 F CB 0.570 39.661 39.000 0.151 0.000 1.191 67 F HN 0.585 nan 8.300 nan 0.000 0.588 68 Q N 1.417 121.525 119.800 0.513 0.000 2.135 68 Q HA -0.216 4.150 4.340 0.044 0.000 0.204 68 Q C 2.101 178.326 176.000 0.376 0.000 0.981 68 Q CA 1.760 57.823 55.803 0.434 0.000 0.856 68 Q CB -0.197 28.796 28.738 0.425 0.000 0.902 68 Q HN 0.830 nan 8.270 nan 0.000 0.425 69 A N -0.317 122.652 122.820 0.248 0.000 1.908 69 A HA -0.173 4.173 4.320 0.044 0.000 0.218 69 A C 2.194 180.020 177.584 0.402 0.000 1.181 69 A CA 1.696 53.736 52.037 0.005 0.000 0.627 69 A CB -0.792 17.721 19.000 -0.812 0.000 0.818 69 A HN 0.315 nan 8.150 nan 0.000 0.445 70 V N -0.317 119.924 119.914 0.545 0.000 2.307 70 V HA -0.269 3.877 4.120 0.044 0.000 0.245 70 V C 2.518 178.761 176.094 0.248 0.000 1.045 70 V CA 2.132 64.650 62.300 0.363 0.000 1.024 70 V CB -0.994 31.034 31.823 0.342 0.000 0.651 70 V HN 0.804 nan 8.190 nan 0.000 0.449 71 H N 0.065 119.269 119.070 0.223 0.000 2.290 71 H HA -0.165 4.417 4.556 0.043 0.000 0.298 71 H C 2.294 177.738 175.328 0.192 0.000 1.087 71 H CA 2.260 58.422 56.048 0.190 0.000 1.291 71 H CB -0.092 29.820 29.762 0.250 0.000 1.369 71 H HN 0.325 nan 8.280 nan 0.000 0.492 72 L N 0.344 121.730 121.223 0.272 0.000 2.042 72 L HA -0.197 4.170 4.340 0.044 0.000 0.210 72 L C 2.885 179.818 176.870 0.105 0.000 1.076 72 L CA 1.700 56.656 54.840 0.192 0.000 0.749 72 L CB -0.345 41.852 42.059 0.230 0.000 0.893 72 L HN 0.182 nan 8.230 nan 0.000 0.432 73 K N 0.199 120.688 120.400 0.149 0.000 2.001 73 K HA -0.144 4.202 4.320 0.044 0.000 0.208 73 K C 1.961 178.578 176.600 0.028 0.000 1.048 73 K CA 1.686 58.048 56.287 0.125 0.000 0.932 73 K CB -0.339 32.286 32.500 0.209 0.000 0.715 73 K HN 0.254 nan 8.250 nan 0.000 0.437 74 V N -0.708 119.193 119.914 -0.022 0.000 2.392 74 V HA -0.191 3.955 4.120 0.044 0.000 0.249 74 V C 2.061 178.112 176.094 -0.072 0.000 1.059 74 V CA 1.690 63.951 62.300 -0.064 0.000 1.051 74 V CB -0.697 31.073 31.823 -0.089 0.000 0.658 74 V HN 0.177 nan 8.190 nan 0.000 0.455 75 L N 0.693 121.843 121.223 -0.121 0.000 2.156 75 L HA 0.114 4.481 4.340 0.044 0.000 0.208 75 L C 2.904 179.763 176.870 -0.018 0.000 1.095 75 L CA 1.666 56.438 54.840 -0.113 0.000 0.770 75 L CB -0.797 41.120 42.059 -0.238 0.000 0.914 75 L HN 0.382 nan 8.230 nan 0.000 0.439 76 A N -0.365 122.460 122.820 0.008 0.000 1.902 76 A HA -0.197 4.149 4.320 0.044 0.000 0.217 76 A C 2.413 180.020 177.584 0.039 0.000 1.181 76 A CA 1.406 53.466 52.037 0.038 0.000 0.623 76 A CB -0.408 18.624 19.000 0.054 0.000 0.818 76 A HN 0.275 nan 8.150 nan 0.000 0.443 77 R N -0.554 119.966 120.500 0.033 0.000 2.073 77 R HA -0.039 4.328 4.340 0.044 0.000 0.234 77 R C 2.106 178.455 176.300 0.082 0.000 1.134 77 R CA 1.377 57.500 56.100 0.039 0.000 0.952 77 R CB -0.699 29.616 30.300 0.026 0.000 0.850 77 R HN 0.559 nan 8.270 nan 0.000 0.433 78 L N 0.730 122.017 121.223 0.107 0.000 2.093 78 L HA -0.153 4.213 4.340 0.044 0.000 0.208 78 L C 2.435 179.466 176.870 0.267 0.000 1.085 78 L CA 1.383 56.370 54.840 0.245 0.000 0.755 78 L CB -0.348 41.776 42.059 0.109 0.000 0.904 78 L HN 0.145 nan 8.230 nan 0.000 0.435 79 K N 0.092 120.579 120.400 0.144 0.000 2.097 79 K HA -0.077 4.269 4.320 0.044 0.000 0.205 79 K C 2.229 178.873 176.600 0.074 0.000 1.050 79 K CA 1.261 57.618 56.287 0.115 0.000 0.938 79 K CB -0.154 32.390 32.500 0.073 0.000 0.718 79 K HN 0.254 nan 8.250 nan 0.000 0.442 80 A N 1.568 124.414 122.820 0.044 0.000 1.929 80 A HA -0.142 4.204 4.320 0.044 0.000 0.216 80 A C 2.012 179.562 177.584 -0.057 0.000 1.176 80 A CA 1.369 53.406 52.037 0.001 0.000 0.628 80 A CB -0.159 18.841 19.000 -0.000 0.000 0.816 80 A HN 0.163 nan 8.150 nan 0.000 0.444 81 K N -2.144 118.197 120.400 -0.099 0.000 2.211 81 K HA 0.030 4.377 4.320 0.044 0.000 0.201 81 K C -0.543 175.692 176.600 -0.609 0.000 1.052 81 K CA 0.563 56.633 56.287 -0.360 0.000 0.973 81 K CB 0.079 32.316 32.500 -0.439 0.000 0.766 81 K HN 0.511 nan 8.250 nan 0.000 0.466 82 Y N 1.848 122.190 120.300 0.071 0.000 2.495 82 Y HA 0.296 4.873 4.550 0.045 0.000 0.362 82 Y C -2.456 173.454 175.900 0.017 0.000 0.956 82 Y CA -2.666 55.466 58.100 0.054 0.000 1.127 82 Y CB 0.761 39.308 38.460 0.145 0.000 1.173 82 Y HN 0.033 nan 8.280 nan 0.000 0.639 83 P HA 0.058 nan 4.420 nan 0.000 0.263 83 P C 1.027 178.343 177.300 0.026 0.000 1.195 83 P CA 1.546 64.673 63.100 0.045 0.000 0.762 83 P CB 1.415 33.124 31.700 0.014 0.000 0.799 84 G N 2.033 110.845 108.800 0.019 0.000 2.217 84 G HA2 -0.307 3.679 3.960 0.044 0.000 0.246 84 G HA3 -0.307 3.679 3.960 0.044 0.000 0.246 84 G C 0.582 175.449 174.900 -0.055 0.000 0.990 84 G CA 0.260 45.354 45.100 -0.009 0.000 0.627 84 G HN 0.591 nan 8.290 nan 0.000 0.522 85 V N -1.237 118.613 119.914 -0.106 0.000 3.212 85 V HA 0.629 4.775 4.120 0.044 0.000 0.244 85 V C 0.609 176.470 176.094 -0.389 0.000 1.151 85 V CA 0.851 62.967 62.300 -0.308 0.000 1.119 85 V CB 0.177 31.708 31.823 -0.487 0.000 0.838 85 V HN 0.449 nan 8.190 nan 0.000 0.470 86 Y N 1.468 121.790 120.300 0.037 0.000 2.462 86 Y HA 0.674 5.250 4.550 0.043 0.000 0.346 86 Y C -0.485 175.421 175.900 0.010 0.000 0.976 86 Y CA -0.532 57.577 58.100 0.014 0.000 1.044 86 Y CB 1.913 40.382 38.460 0.015 0.000 1.230 86 Y HN 0.556 nan 8.280 nan 0.000 0.455 87 D N -1.526 118.968 120.400 0.156 0.000 2.792 87 D HA 0.071 4.737 4.640 0.044 0.000 0.335 87 D C 0.223 176.483 176.300 -0.068 0.000 1.353 87 D CA -0.747 53.275 54.000 0.036 0.000 0.839 87 D CB 0.322 41.139 40.800 0.028 0.000 1.396 87 D HN 0.407 nan 8.370 nan 0.000 0.479 88 E N 0.291 120.347 120.200 -0.240 0.000 2.267 88 E HA -0.222 4.154 4.350 0.044 0.000 0.197 88 E C 0.752 177.051 176.600 -0.503 0.000 0.998 88 E CA 0.920 56.928 56.400 -0.655 0.000 0.830 88 E CB -0.554 28.323 29.700 -1.372 0.000 0.751 88 E HN 0.436 nan 8.360 nan 0.000 0.491 89 N N 2.048 120.672 118.700 -0.126 0.000 2.188 89 N HA -0.103 4.663 4.740 0.044 0.000 0.184 89 N C 0.994 176.637 175.510 0.223 0.000 1.018 89 N CA 1.456 54.578 53.050 0.120 0.000 0.858 89 N CB -0.170 38.382 38.487 0.108 0.000 0.989 89 N HN 0.422 nan 8.380 nan 0.000 0.426 90 N N -0.253 118.540 118.700 0.156 0.000 2.351 90 N HA 0.058 4.824 4.740 0.044 0.000 0.254 90 N C -1.066 174.638 175.510 0.322 0.000 1.241 90 N CA -0.136 52.987 53.050 0.122 0.000 0.883 90 N CB 0.219 38.696 38.487 -0.015 0.000 1.202 90 N HN -0.219 nan 8.380 nan 0.000 0.512 91 V N 1.416 121.569 119.914 0.398 0.000 2.443 91 V HA 0.434 4.580 4.120 0.044 0.000 0.293 91 V C -0.582 175.696 176.094 0.307 0.000 1.021 91 V CA -0.595 61.883 62.300 0.296 0.000 0.848 91 V CB 1.833 33.679 31.823 0.039 0.000 0.998 91 V HN 0.318 nan 8.190 nan 0.000 0.424 92 M N 6.397 126.158 119.600 0.268 0.000 2.243 92 M HA 0.658 5.165 4.480 0.044 0.000 0.324 92 M C -1.879 174.403 176.300 -0.031 0.000 1.031 92 M CA -0.549 54.774 55.300 0.039 0.000 0.949 92 M CB 1.477 33.932 32.600 -0.242 0.000 1.615 92 M HN 0.535 nan 8.290 nan 0.000 0.430 93 L N 4.763 125.986 121.223 -0.000 0.000 2.325 93 L HA 0.857 5.223 4.340 0.044 0.000 0.281 93 L C -0.482 176.351 176.870 -0.061 0.000 1.004 93 L CA -0.583 54.221 54.840 -0.060 0.000 0.823 93 L CB 1.549 43.644 42.059 0.060 0.000 1.236 93 L HN 0.818 nan 8.230 nan 0.000 0.415 94 A N 2.652 125.380 122.820 -0.153 0.000 2.387 94 A HA 1.011 5.357 4.320 0.044 0.000 0.303 94 A C -0.912 176.666 177.584 -0.010 0.000 1.145 94 A CA -0.453 51.568 52.037 -0.026 0.000 0.801 94 A CB 1.927 20.961 19.000 0.056 0.000 1.342 94 A HN 0.747 nan 8.150 nan 0.000 0.440 95 A N -0.773 122.079 122.820 0.055 0.000 2.454 95 A HA 0.643 4.989 4.320 0.044 0.000 0.302 95 A C 0.737 178.309 177.584 -0.019 0.000 1.079 95 A CA 0.264 52.307 52.037 0.010 0.000 0.731 95 A CB 0.700 19.692 19.000 -0.014 0.000 1.299 95 A HN 1.627 nan 8.150 nan 0.000 0.413 96 T N -1.919 112.625 114.554 -0.017 0.000 3.055 96 T HA 0.059 4.435 4.350 0.044 0.000 0.265 96 T C 0.732 175.370 174.700 -0.102 0.000 1.111 96 T CA 1.510 63.604 62.100 -0.009 0.000 1.118 96 T CB -0.376 68.532 68.868 0.067 0.000 0.909 96 T HN 1.686 nan 8.240 nan 0.000 0.501 97 H N 0.763 119.628 119.070 -0.342 0.000 2.931 97 H HA -0.146 4.436 4.556 0.044 0.000 0.290 97 H C 0.061 175.306 175.328 -0.138 0.000 1.264 97 H CA 0.368 56.144 56.048 -0.453 0.000 1.140 97 H CB -2.103 27.075 29.762 -0.974 0.000 1.343 97 H HN 0.574 nan 8.280 nan 0.000 0.403 98 T N -0.667 113.840 114.554 -0.078 0.000 2.919 98 T HA 0.180 4.557 4.350 0.044 0.000 0.302 98 T C 1.028 175.683 174.700 -0.076 0.000 1.031 98 T CA 0.037 62.129 62.100 -0.014 0.000 1.127 98 T CB 0.490 69.366 68.868 0.014 0.000 0.952 98 T HN 0.484 nan 8.240 nan 0.000 0.540 99 H N 2.089 120.976 119.070 -0.305 0.000 2.505 99 H HA 0.381 4.963 4.556 0.043 0.000 0.289 99 H C 0.890 176.071 175.328 -0.245 0.000 1.052 99 H CA -0.229 55.547 56.048 -0.454 0.000 1.156 99 H CB 0.467 29.618 29.762 -1.018 0.000 1.507 99 H HN 0.403 nan 8.280 nan 0.000 0.548 100 S N 0.189 115.887 115.700 -0.003 0.000 2.581 100 S HA 0.419 4.915 4.470 0.044 0.000 0.245 100 S C 0.768 175.393 174.600 0.041 0.000 1.115 100 S CA -0.267 57.959 58.200 0.043 0.000 1.093 100 S CB 0.627 63.864 63.200 0.062 0.000 0.853 100 S HN 0.498 nan 8.310 nan 0.000 0.479 101 G N 2.408 111.224 108.800 0.028 0.000 2.498 101 G HA2 0.656 4.642 3.960 0.044 0.000 0.312 101 G HA3 0.656 4.642 3.960 0.044 0.000 0.312 101 G C -3.281 171.666 174.900 0.079 0.000 1.230 101 G CA -2.048 43.072 45.100 0.034 0.000 0.968 101 G HN -0.020 nan 8.290 nan 0.000 0.481 102 P HA 0.223 nan 4.420 nan 0.000 0.271 102 P C 0.473 177.927 177.300 0.256 0.000 1.216 102 P CA 0.168 63.336 63.100 0.113 0.000 0.771 102 P CB 1.720 33.451 31.700 0.051 0.000 0.864 103 G N 0.960 109.922 108.800 0.269 0.000 2.543 103 G HA2 0.495 4.482 3.960 0.044 0.000 0.267 103 G HA3 0.495 4.482 3.960 0.044 0.000 0.267 103 G C 0.550 175.645 174.900 0.325 0.000 1.406 103 G CA -0.498 44.827 45.100 0.375 0.000 1.048 103 G HN 0.747 nan 8.290 nan 0.000 0.548 104 G N -2.205 106.702 108.800 0.178 0.000 2.130 104 G HA2 -0.125 3.861 3.960 0.044 0.000 0.216 104 G HA3 -0.125 3.861 3.960 0.044 0.000 0.216 104 G C 0.392 175.426 174.900 0.223 0.000 0.999 104 G CA 0.832 45.989 45.100 0.094 0.000 0.686 104 G HN 1.509 nan 8.290 nan 0.000 0.515 105 F N 0.555 120.644 119.950 0.233 0.000 2.708 105 F HA 0.756 5.309 4.527 0.043 0.000 0.300 105 F C 0.553 176.637 175.800 0.474 0.000 1.118 105 F CA -0.876 57.407 58.000 0.471 0.000 1.307 105 F CB -0.110 39.199 39.000 0.514 0.000 0.986 105 F HN 0.252 nan 8.300 nan 0.000 0.522 106 S N -0.602 114.998 115.700 -0.167 0.000 2.664 106 S HA 0.401 4.897 4.470 0.044 0.000 0.304 106 S C 0.201 174.724 174.600 -0.129 0.000 1.099 106 S CA -0.336 57.557 58.200 -0.512 0.000 1.003 106 S CB 0.881 63.124 63.200 -1.595 0.000 1.092 106 S HN 0.510 nan 8.310 nan 0.000 0.525 107 H N 0.110 119.027 119.070 -0.255 0.000 2.652 107 H HA 0.247 4.830 4.556 0.044 0.000 0.274 107 H C -0.809 174.201 175.328 -0.530 0.000 1.021 107 H CA -0.066 55.699 56.048 -0.472 0.000 1.187 107 H CB 0.462 29.874 29.762 -0.583 0.000 1.505 107 H HN 0.454 nan 8.280 nan 0.000 0.530 108 Y N 0.310 120.598 120.300 -0.021 0.000 2.341 108 Y HA 0.245 4.821 4.550 0.044 0.000 0.340 108 Y C 1.197 177.039 175.900 -0.096 0.000 0.997 108 Y CA -0.347 57.736 58.100 -0.029 0.000 1.149 108 Y CB 1.259 39.742 38.460 0.038 0.000 1.171 108 Y HN 0.109 nan 8.280 nan 0.000 0.494 109 A N 3.557 126.373 122.820 -0.006 0.000 1.927 109 A HA -0.335 4.011 4.320 0.044 0.000 0.220 109 A C 2.231 179.689 177.584 -0.210 0.000 1.185 109 A CA 2.402 54.354 52.037 -0.141 0.000 0.639 109 A CB -0.628 17.965 19.000 -0.679 0.000 0.820 109 A HN 0.957 nan 8.150 nan 0.000 0.451 110 M N -1.435 118.021 119.600 -0.240 0.000 2.106 110 M HA -0.201 4.305 4.480 0.044 0.000 0.259 110 M C 1.462 177.636 176.300 -0.211 0.000 1.068 110 M CA 1.860 57.006 55.300 -0.257 0.000 1.100 110 M CB -0.524 31.858 32.600 -0.362 0.000 1.351 110 M HN 0.447 nan 8.290 nan 0.000 0.404 111 Y N -0.949 119.392 120.300 0.068 0.000 2.511 111 Y HA 0.208 4.784 4.550 0.044 0.000 0.279 111 Y C 1.461 177.320 175.900 -0.069 0.000 1.157 111 Y CA 0.564 58.666 58.100 0.003 0.000 1.300 111 Y CB -0.911 37.457 38.460 -0.153 0.000 1.052 111 Y HN 0.459 nan 8.280 nan 0.000 0.529 112 N N -0.725 118.014 118.700 0.064 0.000 2.254 112 N HA 0.105 4.871 4.740 0.044 0.000 0.190 112 N C 1.404 177.013 175.510 0.166 0.000 1.107 112 N CA -0.067 53.017 53.050 0.056 0.000 0.869 112 N CB 0.261 38.748 38.487 0.001 0.000 0.983 112 N HN 0.186 nan 8.380 nan 0.000 0.487 113 L N 0.948 122.295 121.223 0.208 0.000 1.963 113 L HA -0.265 4.102 4.340 0.044 0.000 0.220 113 L C 2.512 179.499 176.870 0.195 0.000 1.076 113 L CA 1.726 56.695 54.840 0.216 0.000 0.772 113 L CB -0.720 41.358 42.059 0.032 0.000 0.892 113 L HN 0.325 nan 8.230 nan 0.000 0.435 114 S N -1.311 114.475 115.700 0.144 0.000 2.474 114 S HA -0.073 4.423 4.470 0.044 0.000 0.235 114 S C 1.526 176.194 174.600 0.113 0.000 0.997 114 S CA 0.883 59.161 58.200 0.130 0.000 0.949 114 S CB -0.382 62.902 63.200 0.140 0.000 0.766 114 S HN 0.244 nan 8.310 nan 0.000 0.517 115 V N 0.959 120.927 119.914 0.091 0.000 3.608 115 V HA 0.315 4.461 4.120 0.044 0.000 0.269 115 V C 1.084 177.175 176.094 -0.006 0.000 1.245 115 V CA 0.440 62.768 62.300 0.046 0.000 1.138 115 V CB -1.047 30.793 31.823 0.027 0.000 0.841 115 V HN 0.604 nan 8.190 nan 0.000 0.451 116 L N -0.505 120.722 121.223 0.006 0.000 4.613 116 L HA -0.169 4.197 4.340 0.044 0.000 0.409 116 L C 0.615 177.158 176.870 -0.545 0.000 1.100 116 L CA 0.167 54.986 54.840 -0.035 0.000 1.029 116 L CB -2.173 39.925 42.059 0.065 0.000 2.137 116 L HN 0.650 nan 8.230 nan 0.000 0.713 117 G N -0.620 107.645 108.800 -0.891 0.000 2.331 117 G HA2 -0.018 3.969 3.960 0.044 0.000 0.479 117 G HA3 -0.018 3.969 3.960 0.044 0.000 0.479 117 G C -0.936 173.742 174.900 -0.369 0.000 1.262 117 G CA -0.313 44.101 45.100 -1.143 0.000 1.029 117 G HN 0.115 nan 8.290 nan 0.000 0.487 118 F N 1.666 121.386 119.950 -0.384 0.000 2.472 118 F HA 0.562 5.115 4.527 0.043 0.000 0.364 118 F C 0.456 176.185 175.800 -0.119 0.000 1.090 118 F CA -0.456 57.426 58.000 -0.197 0.000 1.188 118 F CB 0.919 39.803 39.000 -0.192 0.000 1.105 118 F HN 0.245 nan 8.300 nan 0.000 0.536 119 Q N 6.348 125.792 119.800 -0.594 0.000 2.509 119 Q HA 0.049 4.415 4.340 0.044 0.000 0.236 119 Q C 0.924 176.486 176.000 -0.731 0.000 1.073 119 Q CA -0.084 55.431 55.803 -0.480 0.000 0.867 119 Q CB 1.164 29.785 28.738 -0.194 0.000 1.181 119 Q HN 0.903 nan 8.270 nan 0.000 0.526 120 E N 2.843 122.547 120.200 -0.826 0.000 2.097 120 E HA -0.250 4.126 4.350 0.044 0.000 0.196 120 E C 1.351 177.869 176.600 -0.136 0.000 1.000 120 E CA 1.344 57.435 56.400 -0.514 0.000 0.804 120 E CB 0.397 30.028 29.700 -0.114 0.000 0.740 120 E HN 0.387 nan 8.360 nan 0.000 0.454 121 K N -0.541 119.779 120.400 -0.133 0.000 2.057 121 K HA -0.129 4.218 4.320 0.044 0.000 0.207 121 K C 2.123 178.676 176.600 -0.077 0.000 1.049 121 K CA 1.787 58.026 56.287 -0.080 0.000 0.931 121 K CB -0.054 32.394 32.500 -0.087 0.000 0.714 121 K HN 0.113 nan 8.250 nan 0.000 0.440 122 T N 0.591 115.093 114.554 -0.087 0.000 2.777 122 T HA -0.127 4.249 4.350 0.044 0.000 0.266 122 T C 1.376 176.036 174.700 -0.067 0.000 1.040 122 T CA 1.254 63.304 62.100 -0.084 0.000 1.141 122 T CB -0.330 68.513 68.868 -0.041 0.000 0.868 122 T HN 0.293 nan 8.240 nan 0.000 0.444 123 F N 2.806 122.683 119.950 -0.123 0.000 2.095 123 F HA -0.191 4.363 4.527 0.044 0.000 0.298 123 F C 2.131 177.938 175.800 0.011 0.000 1.104 123 F CA 1.333 59.343 58.000 0.017 0.000 1.232 123 F CB -0.256 38.789 39.000 0.076 0.000 0.987 123 F HN 0.064 nan 8.300 nan 0.000 0.475 124 N N 0.735 119.399 118.700 -0.061 0.000 2.244 124 N HA -0.099 4.667 4.740 0.044 0.000 0.183 124 N C 1.945 177.339 175.510 -0.193 0.000 1.016 124 N CA 1.199 54.158 53.050 -0.151 0.000 0.866 124 N CB -0.615 37.885 38.487 0.022 0.000 0.980 124 N HN 0.451 nan 8.380 nan 0.000 0.430 125 A N 1.061 123.779 122.820 -0.171 0.000 1.930 125 A HA -0.021 4.325 4.320 0.044 0.000 0.217 125 A C 2.296 179.742 177.584 -0.230 0.000 1.175 125 A CA 0.705 52.635 52.037 -0.180 0.000 0.627 125 A CB -0.463 18.436 19.000 -0.169 0.000 0.815 125 A HN 0.169 nan 8.150 nan 0.000 0.443 126 I N 0.065 120.460 120.570 -0.292 0.000 2.202 126 I HA -0.210 3.987 4.170 0.044 0.000 0.242 126 I C 2.600 178.546 176.117 -0.285 0.000 1.091 126 I CA 1.535 62.643 61.300 -0.320 0.000 1.368 126 I CB -0.314 37.437 38.000 -0.415 0.000 1.058 126 I HN 0.340 nan 8.210 nan 0.000 0.410 127 V N -0.969 118.723 119.914 -0.370 0.000 2.358 127 V HA -0.234 3.913 4.120 0.044 0.000 0.246 127 V C 1.927 177.910 176.094 -0.186 0.000 1.047 127 V CA 2.017 64.141 62.300 -0.293 0.000 1.035 127 V CB -0.772 30.825 31.823 -0.377 0.000 0.658 127 V HN 0.294 nan 8.190 nan 0.000 0.452 128 D N 1.636 121.932 120.400 -0.174 0.000 2.117 128 D HA -0.052 4.615 4.640 0.044 0.000 0.197 128 D C 2.266 178.502 176.300 -0.106 0.000 0.987 128 D CA 1.947 55.878 54.000 -0.115 0.000 0.829 128 D CB -0.799 39.939 40.800 -0.103 0.000 0.961 128 D HN 0.591 nan 8.370 nan 0.000 0.460 129 G N 0.788 109.509 108.800 -0.132 0.000 2.408 129 G HA2 -0.179 3.807 3.960 0.044 0.000 0.217 129 G HA3 -0.179 3.807 3.960 0.044 0.000 0.217 129 G C 1.809 176.653 174.900 -0.092 0.000 1.150 129 G CA 0.213 45.244 45.100 -0.115 0.000 0.776 129 G HN 0.247 nan 8.290 nan 0.000 0.542 130 I N 0.343 120.847 120.570 -0.110 0.000 2.179 130 I HA -0.153 4.043 4.170 0.044 0.000 0.242 130 I C 2.778 178.838 176.117 -0.095 0.000 1.088 130 I CA 0.587 61.828 61.300 -0.098 0.000 1.357 130 I CB -0.295 37.642 38.000 -0.105 0.000 1.051 130 I HN 0.019 nan 8.210 nan 0.000 0.409 131 V N 0.794 120.655 119.914 -0.090 0.000 2.343 131 V HA -0.298 3.848 4.120 0.044 0.000 0.247 131 V C 2.620 178.681 176.094 -0.055 0.000 1.051 131 V CA 1.918 64.175 62.300 -0.071 0.000 1.036 131 V CB -0.789 31.014 31.823 -0.033 0.000 0.654 131 V HN 0.398 nan 8.190 nan 0.000 0.451 132 R N 0.646 121.117 120.500 -0.048 0.000 2.081 132 R HA -0.174 4.193 4.340 0.044 0.000 0.235 132 R C 2.636 178.909 176.300 -0.044 0.000 1.131 132 R CA 1.839 57.919 56.100 -0.033 0.000 0.960 132 R CB -0.336 29.945 30.300 -0.032 0.000 0.856 132 R HN 0.695 nan 8.270 nan 0.000 0.436 133 S N 0.094 115.762 115.700 -0.053 0.000 2.382 133 S HA -0.126 4.371 4.470 0.044 0.000 0.228 133 S C 2.002 176.540 174.600 -0.104 0.000 1.027 133 S CA 1.184 59.346 58.200 -0.064 0.000 0.991 133 S CB -0.412 62.757 63.200 -0.051 0.000 0.823 133 S HN 0.362 nan 8.310 nan 0.000 0.469 134 I N 1.820 122.316 120.570 -0.123 0.000 2.315 134 I HA -0.118 4.079 4.170 0.044 0.000 0.248 134 I C 2.752 178.774 176.117 -0.158 0.000 1.117 134 I CA 1.418 62.614 61.300 -0.174 0.000 1.404 134 I CB -0.373 37.461 38.000 -0.277 0.000 1.071 134 I HN 0.389 nan 8.210 nan 0.000 0.419 135 E N 0.628 120.760 120.200 -0.114 0.000 2.107 135 E HA -0.163 4.213 4.350 0.044 0.000 0.191 135 E C 2.301 178.867 176.600 -0.056 0.000 0.982 135 E CA 0.788 57.145 56.400 -0.073 0.000 0.809 135 E CB -0.014 29.696 29.700 0.017 0.000 0.756 135 E HN 0.424 nan 8.360 nan 0.000 0.459 136 R N 0.489 120.952 120.500 -0.061 0.000 2.115 136 R HA -0.022 4.345 4.340 0.044 0.000 0.226 136 R C 2.317 178.561 176.300 -0.092 0.000 1.100 136 R CA 0.988 57.049 56.100 -0.065 0.000 0.980 136 R CB -0.167 30.096 30.300 -0.063 0.000 0.875 136 R HN 0.087 nan 8.270 nan 0.000 0.445 137 A N 1.843 124.592 122.820 -0.118 0.000 1.873 137 A HA -0.226 4.120 4.320 0.044 0.000 0.215 137 A C 2.173 179.702 177.584 -0.091 0.000 1.186 137 A CA 1.441 53.393 52.037 -0.142 0.000 0.616 137 A CB -0.523 18.372 19.000 -0.175 0.000 0.823 137 A HN 0.476 nan 8.150 nan 0.000 0.442 138 Q N -0.627 119.134 119.800 -0.066 0.000 2.170 138 Q HA 0.005 4.371 4.340 0.044 0.000 0.203 138 Q C 1.892 177.866 176.000 -0.043 0.000 0.976 138 Q CA 1.506 57.288 55.803 -0.035 0.000 0.858 138 Q CB -0.504 28.224 28.738 -0.018 0.000 0.907 138 Q HN 0.478 nan 8.270 nan 0.000 0.433 139 A N 1.336 124.128 122.820 -0.047 0.000 2.121 139 A HA -0.038 4.308 4.320 0.044 0.000 0.218 139 A C 1.686 179.240 177.584 -0.050 0.000 1.154 139 A CA 0.764 52.779 52.037 -0.037 0.000 0.679 139 A CB -0.131 18.852 19.000 -0.029 0.000 0.795 139 A HN 0.330 nan 8.150 nan 0.000 0.458 140 R N -0.742 119.718 120.500 -0.067 0.000 2.552 140 R HA 0.340 4.706 4.340 0.044 0.000 0.314 140 R C -0.700 175.539 176.300 -0.100 0.000 1.041 140 R CA -0.348 55.705 56.100 -0.079 0.000 1.076 140 R CB 0.028 30.276 30.300 -0.087 0.000 1.290 140 R HN 0.356 nan 8.270 nan 0.000 0.563 141 L N 3.132 124.299 121.223 -0.092 0.000 2.584 141 L HA -0.068 4.299 4.340 0.044 0.000 0.272 141 L C 0.426 177.192 176.870 -0.173 0.000 1.195 141 L CA 0.800 55.569 54.840 -0.119 0.000 0.920 141 L CB 0.169 42.186 42.059 -0.071 0.000 1.173 141 L HN 0.263 nan 8.230 nan 0.000 0.489 142 Q N 5.668 125.278 119.800 -0.317 0.000 2.421 142 Q HA 0.606 4.972 4.340 0.044 0.000 0.280 142 Q C -2.850 172.888 176.000 -0.437 0.000 1.085 142 Q CA -2.221 53.383 55.803 -0.331 0.000 0.807 142 Q CB 2.582 31.124 28.738 -0.327 0.000 1.405 142 Q HN 0.216 nan 8.270 nan 0.000 0.419 143 P HA 0.347 nan 4.420 nan 0.000 0.272 143 P C -0.298 176.904 177.300 -0.164 0.000 1.223 143 P CA 0.457 63.462 63.100 -0.158 0.000 0.784 143 P CB 1.122 32.780 31.700 -0.070 0.000 0.923 144 G N 1.180 109.999 108.800 0.031 0.000 2.340 144 G HA2 0.445 4.432 3.960 0.044 0.000 0.299 144 G HA3 0.445 4.432 3.960 0.044 0.000 0.299 144 G C -1.678 173.447 174.900 0.375 0.000 1.291 144 G CA -0.862 44.410 45.100 0.285 0.000 0.841 144 G HN 0.455 nan 8.290 nan 0.000 0.500 145 R N -1.021 119.719 120.500 0.399 0.000 2.740 145 R HA 0.692 5.058 4.340 0.044 0.000 0.282 145 R C -1.374 174.974 176.300 0.080 0.000 0.969 145 R CA -0.790 55.429 56.100 0.199 0.000 0.918 145 R CB 2.128 32.453 30.300 0.041 0.000 1.175 145 R HN 0.264 nan 8.270 nan 0.000 0.464 146 L N 2.532 123.685 121.223 -0.117 0.000 2.307 146 L HA 0.509 4.875 4.340 0.044 0.000 0.284 146 L C -1.043 175.585 176.870 -0.403 0.000 1.023 146 L CA -0.061 54.588 54.840 -0.317 0.000 0.810 146 L CB 1.003 42.788 42.059 -0.458 0.000 1.231 146 L HN 0.461 nan 8.230 nan 0.000 0.423 147 F N 2.637 122.486 119.950 -0.169 0.000 2.532 147 F HA 0.475 5.011 4.527 0.015 0.000 0.321 147 F C -0.599 175.163 175.800 -0.063 0.000 1.089 147 F CA -0.653 57.305 58.000 -0.070 0.000 0.926 147 F CB 1.745 40.708 39.000 -0.063 0.000 1.168 147 F HN 0.320 nan 8.300 nan 0.000 0.459 148 Y N 1.302 121.640 120.300 0.063 0.000 2.429 148 Y HA 0.817 5.387 4.550 0.034 0.000 0.342 148 Y C -0.488 175.389 175.900 -0.038 0.000 1.004 148 Y CA -0.924 57.153 58.100 -0.039 0.000 1.075 148 Y CB 1.886 40.279 38.460 -0.112 0.000 1.214 148 Y HN 0.666 nan 8.280 nan 0.000 0.455 149 G N 2.043 110.314 108.800 -0.881 0.000 2.677 149 G HA2 0.575 4.561 3.960 0.044 0.000 0.291 149 G HA3 0.575 4.561 3.960 0.044 0.000 0.291 149 G C -1.836 172.620 174.900 -0.740 0.000 1.435 149 G CA -0.593 44.147 45.100 -0.600 0.000 0.826 149 G HN 1.091 nan 8.290 nan 0.000 0.491 150 S N -1.312 114.171 115.700 -0.361 0.000 2.570 150 S HA 0.945 5.441 4.470 0.044 0.000 0.270 150 S C -0.188 174.364 174.600 -0.080 0.000 1.149 150 S CA -0.004 58.073 58.200 -0.206 0.000 0.837 150 S CB 1.873 65.002 63.200 -0.117 0.000 1.124 150 S HN 2.163 nan 8.310 nan 0.000 0.465 151 G N 0.089 108.872 108.800 -0.029 0.000 2.663 151 G HA2 0.647 4.633 3.960 0.044 0.000 0.299 151 G HA3 0.647 4.633 3.960 0.044 0.000 0.299 151 G C -2.055 172.863 174.900 0.030 0.000 1.372 151 G CA -0.812 44.282 45.100 -0.011 0.000 0.781 151 G HN 0.744 nan 8.290 nan 0.000 0.491 152 E N -0.256 119.958 120.200 0.023 0.000 2.199 152 E HA 0.488 4.864 4.350 0.044 0.000 0.269 152 E C -1.230 175.384 176.600 0.024 0.000 0.899 152 E CA -0.613 55.820 56.400 0.055 0.000 0.772 152 E CB 2.874 32.604 29.700 0.049 0.000 1.155 152 E HN 0.228 nan 8.360 nan 0.000 0.408 153 L N 4.039 125.296 121.223 0.057 0.000 2.377 153 L HA 0.398 4.764 4.340 0.044 0.000 0.270 153 L C 0.217 177.161 176.870 0.124 0.000 0.991 153 L CA -0.220 54.598 54.840 -0.035 0.000 0.851 153 L CB 0.560 42.378 42.059 -0.402 0.000 1.218 153 L HN 0.541 nan 8.230 nan 0.000 0.420 154 R N 1.529 122.079 120.500 0.083 0.000 2.397 154 R HA 0.090 4.456 4.340 0.044 0.000 0.241 154 R C 0.954 177.306 176.300 0.087 0.000 0.914 154 R CA 0.042 56.208 56.100 0.109 0.000 1.071 154 R CB 0.330 30.672 30.300 0.069 0.000 1.116 154 R HN 0.500 nan 8.270 nan 0.000 0.524 155 N N 0.320 119.052 118.700 0.054 0.000 2.280 155 N HA 0.055 4.821 4.740 0.044 0.000 0.192 155 N C 0.496 176.027 175.510 0.035 0.000 1.109 155 N CA 0.251 53.318 53.050 0.028 0.000 0.855 155 N CB 0.692 39.175 38.487 -0.007 0.000 0.974 155 N HN 0.128 nan 8.380 nan 0.000 0.482 156 A N -0.556 122.322 122.820 0.097 0.000 2.589 156 A HA 0.486 4.833 4.320 0.044 0.000 0.283 156 A C -0.115 177.619 177.584 0.250 0.000 1.187 156 A CA 0.003 52.121 52.037 0.136 0.000 0.957 156 A CB -0.162 18.878 19.000 0.068 0.000 1.175 156 A HN 0.285 nan 8.150 nan 0.000 0.532 157 S N -0.261 115.567 115.700 0.214 0.000 2.615 157 S HA 0.760 5.257 4.470 0.044 0.000 0.268 157 S C -0.898 173.762 174.600 0.100 0.000 1.146 157 S CA -0.865 57.435 58.200 0.168 0.000 0.818 157 S CB 1.176 64.488 63.200 0.187 0.000 1.111 157 S HN 0.960 nan 8.310 nan 0.000 0.465 158 R N 0.581 121.119 120.500 0.064 0.000 2.668 158 R HA 0.542 4.909 4.340 0.044 0.000 0.272 158 R C -1.586 174.722 176.300 0.014 0.000 1.019 158 R CA -0.823 55.297 56.100 0.034 0.000 0.894 158 R CB 1.110 31.425 30.300 0.024 0.000 1.228 158 R HN 0.586 nan 8.270 nan 0.000 0.460 159 N N 2.058 120.750 118.700 -0.012 0.000 2.470 159 N HA 0.031 4.797 4.740 0.044 0.000 0.268 159 N C 0.371 175.875 175.510 -0.010 0.000 1.136 159 N CA -0.230 52.800 53.050 -0.033 0.000 0.961 159 N CB 1.051 39.475 38.487 -0.106 0.000 1.067 159 N HN 0.790 nan 8.380 nan 0.000 0.468 160 R N 1.230 121.727 120.500 -0.004 0.000 2.297 160 R HA 0.156 4.522 4.340 0.044 0.000 0.197 160 R C -0.229 176.070 176.300 -0.000 0.000 0.943 160 R CA 0.119 56.210 56.100 -0.014 0.000 1.038 160 R CB 0.204 30.477 30.300 -0.045 0.000 0.957 160 R HN 0.202 nan 8.270 nan 0.000 0.484 161 S N 1.028 116.741 115.700 0.022 0.000 2.399 161 S HA 0.235 4.732 4.470 0.044 0.000 0.198 161 S C 0.609 175.252 174.600 0.071 0.000 1.294 161 S CA -0.576 57.649 58.200 0.041 0.000 1.237 161 S CB 0.754 63.986 63.200 0.053 0.000 1.286 161 S HN 0.196 nan 8.310 nan 0.000 0.404 162 L N 1.065 122.325 121.223 0.062 0.000 2.042 162 L HA -0.137 4.229 4.340 0.044 0.000 0.210 162 L C 2.258 179.197 176.870 0.114 0.000 1.076 162 L CA 1.557 56.457 54.840 0.100 0.000 0.749 162 L CB -0.221 41.879 42.059 0.069 0.000 0.893 162 L HN 0.555 nan 8.230 nan 0.000 0.432 163 L N -0.913 120.351 121.223 0.069 0.000 2.013 163 L HA -0.289 4.077 4.340 0.044 0.000 0.212 163 L C 2.547 179.448 176.870 0.051 0.000 1.073 163 L CA 2.061 56.931 54.840 0.050 0.000 0.753 163 L CB -0.165 41.911 42.059 0.028 0.000 0.890 163 L HN 0.171 nan 8.230 nan 0.000 0.432 164 S N -1.485 114.250 115.700 0.059 0.000 2.357 164 S HA -0.240 4.256 4.470 0.044 0.000 0.221 164 S C 1.842 176.483 174.600 0.068 0.000 1.031 164 S CA 1.207 59.436 58.200 0.049 0.000 0.982 164 S CB -0.586 62.641 63.200 0.045 0.000 0.853 164 S HN 0.698 nan 8.310 nan 0.000 0.458 165 H N 1.827 120.911 119.070 0.023 0.000 2.353 165 H HA 0.023 4.605 4.556 0.043 0.000 0.298 165 H C 1.537 176.885 175.328 0.033 0.000 1.103 165 H CA 1.478 57.543 56.048 0.029 0.000 1.293 165 H CB -0.406 29.379 29.762 0.038 0.000 1.372 165 H HN 0.273 nan 8.280 nan 0.000 0.501 166 L N 0.151 121.378 121.223 0.007 0.000 2.622 166 L HA -0.055 4.312 4.340 0.044 0.000 0.233 166 L C 1.826 178.667 176.870 -0.048 0.000 1.156 166 L CA 0.369 55.189 54.840 -0.034 0.000 0.866 166 L CB -0.216 41.870 42.059 0.044 0.000 0.980 166 L HN 0.192 nan 8.230 nan 0.000 0.448 167 K N -0.070 120.302 120.400 -0.047 0.000 2.296 167 K HA 0.072 4.418 4.320 0.044 0.000 0.200 167 K C 0.380 176.953 176.600 -0.045 0.000 1.048 167 K CA 0.231 56.500 56.287 -0.031 0.000 0.966 167 K CB -0.124 32.367 32.500 -0.015 0.000 0.754 167 K HN 0.346 nan 8.250 nan 0.000 0.466 168 N N 2.639 121.283 118.700 -0.094 0.000 2.470 168 N HA 0.032 4.798 4.740 0.044 0.000 0.268 168 N C -1.723 173.749 175.510 -0.063 0.000 1.136 168 N CA -0.865 52.133 53.050 -0.085 0.000 0.961 168 N CB 1.164 39.564 38.487 -0.144 0.000 1.067 168 N HN 0.010 nan 8.380 nan 0.000 0.468 169 P HA -0.016 nan 4.420 nan 0.000 0.240 169 P C -0.109 177.194 177.300 0.005 0.000 1.190 169 P CA 0.747 63.843 63.100 -0.006 0.000 0.781 169 P CB 0.345 32.049 31.700 0.006 0.000 0.931 170 D N 0.609 121.012 120.400 0.006 0.000 2.738 170 D HA 0.040 4.706 4.640 0.044 0.000 0.246 170 D C 0.943 177.283 176.300 0.065 0.000 1.270 170 D CA -0.610 53.410 54.000 0.033 0.000 0.833 170 D CB -1.043 39.777 40.800 0.034 0.000 1.040 170 D HN 0.317 nan 8.370 nan 0.000 0.487 171 I N -2.893 117.713 120.570 0.060 0.000 3.838 171 I HA 0.463 4.659 4.170 0.044 0.000 0.320 171 I C 0.390 176.636 176.117 0.215 0.000 1.429 171 I CA -0.892 60.502 61.300 0.158 0.000 1.223 171 I CB -0.084 37.942 38.000 0.044 0.000 1.147 171 I HN -0.078 nan 8.210 nan 0.000 0.410 172 A N 1.713 124.618 122.820 0.142 0.000 2.537 172 A HA 0.439 4.785 4.320 0.044 0.000 0.260 172 A C 1.488 179.066 177.584 -0.011 0.000 1.082 172 A CA 0.717 52.794 52.037 0.066 0.000 0.765 172 A CB -0.643 18.384 19.000 0.045 0.000 1.019 172 A HN 1.215 nan 8.150 nan 0.000 0.507 173 G N 1.273 110.000 108.800 -0.121 0.000 2.176 173 G HA2 -0.244 3.742 3.960 0.044 0.000 0.232 173 G HA3 -0.244 3.742 3.960 0.044 0.000 0.232 173 G C 0.029 174.514 174.900 -0.692 0.000 0.986 173 G CA 0.627 45.481 45.100 -0.410 0.000 0.643 173 G HN 1.066 nan 8.290 nan 0.000 0.522 174 Y N -0.146 120.219 120.300 0.109 0.000 2.750 174 Y HA 0.417 4.993 4.550 0.044 0.000 0.247 174 Y C 1.498 177.541 175.900 0.239 0.000 1.098 174 Y CA -0.067 58.135 58.100 0.170 0.000 1.120 174 Y CB 0.436 39.039 38.460 0.240 0.000 1.210 174 Y HN 0.175 nan 8.280 nan 0.000 0.601 175 E N 0.790 121.118 120.200 0.214 0.000 2.160 175 E HA -0.202 4.175 4.350 0.044 0.000 0.195 175 E C 1.389 178.098 176.600 0.182 0.000 0.991 175 E CA 1.840 58.347 56.400 0.178 0.000 0.810 175 E CB -0.071 29.684 29.700 0.093 0.000 0.742 175 E HN 0.552 nan 8.360 nan 0.000 0.466 176 D N -1.376 119.108 120.400 0.141 0.000 2.328 176 D HA 0.092 4.759 4.640 0.044 0.000 0.226 176 D C 1.204 177.540 176.300 0.060 0.000 1.066 176 D CA 0.610 54.667 54.000 0.096 0.000 0.861 176 D CB 0.016 40.856 40.800 0.067 0.000 0.912 176 D HN 0.194 nan 8.370 nan 0.000 0.521 177 G N 0.125 108.948 108.800 0.038 0.000 2.179 177 G HA2 -0.277 3.709 3.960 0.044 0.000 0.260 177 G HA3 -0.277 3.709 3.960 0.044 0.000 0.260 177 G C 0.154 174.894 174.900 -0.267 0.000 0.977 177 G CA 0.278 45.148 45.100 -0.382 0.000 0.641 177 G HN 0.452 nan 8.290 nan 0.000 0.533 178 I N 0.904 121.464 120.570 -0.016 0.000 2.437 178 I HA 0.379 4.575 4.170 0.044 0.000 0.298 178 I C -0.582 175.653 176.117 0.196 0.000 0.984 178 I CA -0.738 60.597 61.300 0.058 0.000 1.214 178 I CB 1.660 39.715 38.000 0.091 0.000 1.365 178 I HN 0.028 nan 8.210 nan 0.000 0.469 179 D N 8.058 128.556 120.400 0.162 0.000 2.485 179 D HA 0.227 4.893 4.640 0.044 0.000 0.229 179 D C -1.640 174.789 176.300 0.214 0.000 1.101 179 D CA -2.321 51.847 54.000 0.280 0.000 0.906 179 D CB 1.287 42.161 40.800 0.123 0.000 1.019 179 D HN 0.208 nan 8.370 nan 0.000 0.516 180 P HA -0.096 nan 4.420 nan 0.000 0.233 180 P C 0.370 177.882 177.300 0.353 0.000 1.167 180 P CA 0.248 63.534 63.100 0.310 0.000 0.770 180 P CB 0.335 32.139 31.700 0.174 0.000 0.837 181 Q N 0.694 120.671 119.800 0.294 0.000 2.297 181 Q HA 0.320 4.686 4.340 0.044 0.000 0.267 181 Q C -0.470 175.752 176.000 0.370 0.000 1.006 181 Q CA -0.124 55.840 55.803 0.268 0.000 0.896 181 Q CB 0.287 29.151 28.738 0.209 0.000 1.186 181 Q HN 0.048 nan 8.270 nan 0.000 0.392 182 M N 3.240 123.020 119.600 0.301 0.000 2.311 182 M HA 0.432 4.939 4.480 0.044 0.000 0.325 182 M C -1.472 174.916 176.300 0.147 0.000 1.061 182 M CA -0.327 55.159 55.300 0.311 0.000 0.957 182 M CB 1.934 34.648 32.600 0.189 0.000 1.646 182 M HN 0.564 nan 8.290 nan 0.000 0.434 183 S N 2.989 118.803 115.700 0.189 0.000 2.537 183 S HA 0.802 5.298 4.470 0.044 0.000 0.301 183 S C -1.147 173.519 174.600 0.110 0.000 1.092 183 S CA -0.701 57.521 58.200 0.035 0.000 1.048 183 S CB 2.068 65.341 63.200 0.122 0.000 1.053 183 S HN 0.598 nan 8.310 nan 0.000 0.501 184 V N 3.206 123.037 119.914 -0.138 0.000 2.623 184 V HA 0.453 4.599 4.120 0.044 0.000 0.304 184 V C -1.185 174.854 176.094 -0.091 0.000 1.054 184 V CA -0.692 61.565 62.300 -0.071 0.000 0.882 184 V CB 1.697 33.457 31.823 -0.105 0.000 1.002 184 V HN 0.699 nan 8.190 nan 0.000 0.424 185 L N 5.784 127.011 121.223 0.007 0.000 2.276 185 L HA 0.701 5.067 4.340 0.044 0.000 0.286 185 L C 0.353 177.032 176.870 -0.318 0.000 1.024 185 L CA 0.256 55.035 54.840 -0.103 0.000 0.826 185 L CB 1.425 43.488 42.059 0.007 0.000 1.211 185 L HN 0.778 nan 8.230 nan 0.000 0.422 186 S N 3.499 119.022 115.700 -0.295 0.000 2.565 186 S HA 0.718 5.214 4.470 0.044 0.000 0.290 186 S C -0.587 173.728 174.600 -0.476 0.000 1.150 186 S CA -0.548 57.509 58.200 -0.239 0.000 1.058 186 S CB 0.972 64.141 63.200 -0.052 0.000 1.032 186 S HN 0.342 nan 8.310 nan 0.000 0.510 187 F N 1.065 120.831 119.950 -0.307 0.000 2.402 187 F HA 0.521 5.079 4.527 0.052 0.000 0.355 187 F C -0.393 175.195 175.800 -0.353 0.000 1.123 187 F CA -0.968 56.644 58.000 -0.647 0.000 1.021 187 F CB 1.724 39.900 39.000 -1.373 0.000 1.160 187 F HN 0.344 nan 8.300 nan 0.000 0.451 188 V N 3.165 123.145 119.914 0.111 0.000 2.384 188 V HA 0.269 4.415 4.120 0.044 0.000 0.287 188 V C -0.310 176.095 176.094 0.519 0.000 1.020 188 V CA -1.029 61.456 62.300 0.309 0.000 0.850 188 V CB 1.318 33.347 31.823 0.343 0.000 0.987 188 V HN 0.729 nan 8.190 nan 0.000 0.436 189 D N 4.488 125.175 120.400 0.478 0.000 2.372 189 D HA 0.251 4.918 4.640 0.044 0.000 0.243 189 D C 1.322 177.754 176.300 0.220 0.000 1.297 189 D CA 0.134 54.354 54.000 0.368 0.000 0.958 189 D CB 0.855 41.799 40.800 0.240 0.000 1.114 189 D HN 0.511 nan 8.370 nan 0.000 0.496 190 A N -0.212 122.680 122.820 0.120 0.000 2.178 190 A HA -0.165 4.181 4.320 0.044 0.000 0.218 190 A C 1.426 179.063 177.584 0.087 0.000 1.157 190 A CA 0.861 52.951 52.037 0.088 0.000 0.689 190 A CB -0.680 18.343 19.000 0.039 0.000 0.787 190 A HN 0.528 nan 8.150 nan 0.000 0.465 191 N N -0.729 118.028 118.700 0.095 0.000 2.270 191 N HA 0.158 4.924 4.740 0.044 0.000 0.198 191 N C 1.014 176.579 175.510 0.092 0.000 1.117 191 N CA 0.882 53.980 53.050 0.080 0.000 0.845 191 N CB 0.436 38.964 38.487 0.067 0.000 0.980 191 N HN 0.571 nan 8.380 nan 0.000 0.486 192 G N 1.362 110.236 108.800 0.125 0.000 2.176 192 G HA2 -0.283 3.703 3.960 0.044 0.000 0.252 192 G HA3 -0.283 3.703 3.960 0.044 0.000 0.252 192 G C -0.138 174.827 174.900 0.108 0.000 1.024 192 G CA 0.208 45.383 45.100 0.125 0.000 0.755 192 G HN 0.459 nan 8.290 nan 0.000 0.507 193 E N -0.468 119.811 120.200 0.131 0.000 2.179 193 E HA 0.564 4.940 4.350 0.044 0.000 0.275 193 E C 0.553 177.254 176.600 0.168 0.000 0.945 193 E CA -1.050 55.425 56.400 0.125 0.000 0.792 193 E CB 0.781 30.551 29.700 0.116 0.000 1.125 193 E HN 0.205 nan 8.360 nan 0.000 0.397 194 L N 4.013 125.337 121.223 0.167 0.000 2.562 194 L HA 0.079 4.445 4.340 0.044 0.000 0.271 194 L C 0.544 177.597 176.870 0.304 0.000 1.167 194 L CA 0.218 55.191 54.840 0.222 0.000 0.917 194 L CB 0.567 42.790 42.059 0.274 0.000 1.187 194 L HN 0.840 nan 8.230 nan 0.000 0.482 195 A N 3.954 126.875 122.820 0.168 0.000 2.063 195 A HA 0.504 4.850 4.320 0.044 0.000 0.211 195 A C 0.777 178.118 177.584 -0.405 0.000 1.177 195 A CA 0.747 52.834 52.037 0.083 0.000 0.759 195 A CB 0.211 19.350 19.000 0.232 0.000 0.857 195 A HN 0.822 nan 8.150 nan 0.000 0.468 196 G N -2.805 105.657 108.800 -0.562 0.000 2.441 196 G HA2 0.664 4.650 3.960 0.044 0.000 0.294 196 G HA3 0.664 4.650 3.960 0.044 0.000 0.294 196 G C -1.304 173.349 174.900 -0.412 0.000 1.393 196 G CA 0.172 44.677 45.100 -0.992 0.000 0.796 196 G HN 1.393 nan 8.290 nan 0.000 0.494 197 A N -0.983 121.622 122.820 -0.358 0.000 2.597 197 A HA 0.780 5.126 4.320 0.044 0.000 0.292 197 A C -1.698 175.686 177.584 -0.333 0.000 1.057 197 A CA -0.540 51.386 52.037 -0.186 0.000 0.674 197 A CB 0.979 19.808 19.000 -0.286 0.000 1.278 197 A HN 1.112 nan 8.150 nan 0.000 0.416 198 I N 1.303 121.593 120.570 -0.466 0.000 2.466 198 I HA 0.516 4.713 4.170 0.044 0.000 0.289 198 I C 0.137 175.739 176.117 -0.857 0.000 1.026 198 I CA -0.532 60.243 61.300 -0.875 0.000 1.078 198 I CB 2.130 39.345 38.000 -1.310 0.000 1.249 198 I HN 0.572 nan 8.210 nan 0.000 0.429 199 S N 6.578 121.754 115.700 -0.874 0.000 2.454 199 S HA 0.532 5.029 4.470 0.044 0.000 0.306 199 S C -1.425 172.913 174.600 -0.437 0.000 1.100 199 S CA -0.506 57.362 58.200 -0.554 0.000 1.087 199 S CB 0.991 63.787 63.200 -0.674 0.000 1.019 199 S HN 0.524 nan 8.310 nan 0.000 0.480 200 W N 5.483 126.785 121.300 0.003 0.000 2.361 200 W HA 0.538 5.221 4.660 0.038 0.000 0.314 200 W C -1.053 175.614 176.519 0.246 0.000 1.041 200 W CA -0.988 56.417 57.345 0.100 0.000 1.241 200 W CB 1.350 30.835 29.460 0.040 0.000 1.279 200 W HN 0.689 nan 8.180 nan 0.000 0.436 201 F N 6.491 126.615 119.950 0.291 0.000 2.623 201 F HA 0.405 4.958 4.527 0.043 0.000 0.323 201 F C -2.483 173.462 175.800 0.242 0.000 1.158 201 F CA -2.083 56.063 58.000 0.244 0.000 1.030 201 F CB 2.267 41.400 39.000 0.222 0.000 1.280 201 F HN -0.052 nan 8.300 nan 0.000 0.474 202 P HA 0.377 nan 4.420 nan 0.000 0.287 202 P C -1.471 175.582 177.300 -0.412 0.000 1.294 202 P CA -0.198 62.724 63.100 -0.297 0.000 0.776 202 P CB 2.070 33.682 31.700 -0.146 0.000 0.889 203 V N 4.330 124.217 119.914 -0.046 0.000 2.881 203 V HA 0.134 4.281 4.120 0.044 0.000 0.275 203 V C -1.085 175.126 176.094 0.195 0.000 1.518 203 V CA -0.569 61.789 62.300 0.096 0.000 0.936 203 V CB 1.185 33.112 31.823 0.173 0.000 1.165 203 V HN 0.577 nan 8.190 nan 0.000 0.447 204 H N 3.117 122.276 119.070 0.149 0.000 3.064 204 H HA 0.223 4.805 4.556 0.044 0.000 0.329 204 H C 0.866 176.229 175.328 0.060 0.000 1.020 204 H CA 1.536 57.677 56.048 0.156 0.000 1.402 204 H CB 0.972 30.802 29.762 0.113 0.000 1.379 204 H HN 0.653 nan 8.280 nan 0.000 0.594 205 S N 2.369 118.102 115.700 0.055 0.000 3.965 205 S HA 0.059 4.555 4.470 0.044 0.000 0.195 205 S C 0.359 174.943 174.600 -0.027 0.000 1.449 205 S CA -0.032 58.192 58.200 0.040 0.000 0.965 205 S CB -0.369 62.854 63.200 0.039 0.000 1.459 205 S HN 0.784 nan 8.310 nan 0.000 0.476 206 T N -2.582 111.949 114.554 -0.038 0.000 3.331 206 T HA 0.224 4.600 4.350 0.044 0.000 0.282 206 T C 1.234 175.944 174.700 0.017 0.000 1.010 206 T CA -0.486 61.567 62.100 -0.079 0.000 0.928 206 T CB 0.248 69.009 68.868 -0.179 0.000 1.154 206 T HN 0.153 nan 8.240 nan 0.000 0.516 207 S N 1.806 117.517 115.700 0.018 0.000 2.383 207 S HA 0.144 4.640 4.470 0.044 0.000 0.227 207 S C 1.001 175.584 174.600 -0.029 0.000 1.026 207 S CA 0.579 58.777 58.200 -0.002 0.000 0.981 207 S CB -0.254 62.950 63.200 0.006 0.000 0.818 207 S HN 0.481 nan 8.310 nan 0.000 0.472 208 M N 3.197 122.789 119.600 -0.014 0.000 2.143 208 M HA 0.187 4.694 4.480 0.044 0.000 0.348 208 M C 0.753 177.077 176.300 0.039 0.000 1.375 208 M CA -0.159 55.098 55.300 -0.071 0.000 1.124 208 M CB 0.023 32.581 32.600 -0.070 0.000 1.669 208 M HN 0.272 nan 8.290 nan 0.000 0.469 209 T N -0.130 114.381 114.554 -0.072 0.000 2.698 209 T HA 0.151 4.527 4.350 0.044 0.000 0.295 209 T C 1.140 175.698 174.700 -0.237 0.000 1.007 209 T CA -0.330 61.665 62.100 -0.176 0.000 0.980 209 T CB 0.333 69.071 68.868 -0.217 0.000 1.036 209 T HN 0.784 nan 8.240 nan 0.000 0.526 210 N N -0.181 118.128 118.700 -0.650 0.000 2.521 210 N HA 0.081 4.847 4.740 0.044 0.000 0.188 210 N C 1.545 176.888 175.510 -0.279 0.000 1.146 210 N CA 0.150 52.889 53.050 -0.518 0.000 0.893 210 N CB -0.070 37.990 38.487 -0.713 0.000 0.975 210 N HN 0.648 nan 8.380 nan 0.000 0.451 211 A N 0.716 123.379 122.820 -0.263 0.000 2.220 211 A HA 0.034 4.380 4.320 0.044 0.000 0.211 211 A C 0.671 178.054 177.584 -0.336 0.000 1.176 211 A CA -0.206 51.690 52.037 -0.236 0.000 0.834 211 A CB -0.258 18.664 19.000 -0.130 0.000 0.868 211 A HN 0.408 nan 8.150 nan 0.000 0.488 212 N N -0.547 117.977 118.700 -0.293 0.000 2.529 212 N HA 0.275 5.041 4.740 0.044 0.000 0.278 212 N C 0.040 175.345 175.510 -0.342 0.000 1.146 212 N CA 0.139 53.050 53.050 -0.231 0.000 0.980 212 N CB 0.384 38.771 38.487 -0.167 0.000 1.124 212 N HN 0.305 nan 8.380 nan 0.000 0.458 213 H N 1.230 120.325 119.070 0.042 0.000 3.058 213 H HA 0.337 4.920 4.556 0.044 0.000 0.266 213 H C -0.603 174.757 175.328 0.052 0.000 1.135 213 H CA -0.321 55.759 56.048 0.053 0.000 1.174 213 H CB 0.447 30.237 29.762 0.045 0.000 1.581 213 H HN 0.244 nan 8.280 nan 0.000 0.553 214 L N 1.737 123.043 121.223 0.137 0.000 2.292 214 L HA 0.299 4.665 4.340 0.044 0.000 0.284 214 L C 0.035 176.981 176.870 0.126 0.000 1.065 214 L CA -0.610 54.309 54.840 0.131 0.000 0.806 214 L CB 1.616 43.768 42.059 0.155 0.000 1.175 214 L HN 0.129 nan 8.230 nan 0.000 0.431 215 I N 2.285 122.928 120.570 0.121 0.000 2.775 215 I HA -0.005 4.191 4.170 0.044 0.000 0.290 215 I C 0.620 176.811 176.117 0.122 0.000 1.203 215 I CA 0.961 62.321 61.300 0.100 0.000 1.433 215 I CB 0.832 38.879 38.000 0.078 0.000 1.354 215 I HN 0.617 nan 8.210 nan 0.000 0.579 216 S N 7.096 122.855 115.700 0.098 0.000 2.535 216 S HA 0.441 4.938 4.470 0.044 0.000 0.272 216 S C -2.337 172.323 174.600 0.099 0.000 1.149 216 S CA -1.008 57.260 58.200 0.114 0.000 0.888 216 S CB 2.142 65.429 63.200 0.145 0.000 1.110 216 S HN 0.435 nan 8.310 nan 0.000 0.463 217 P HA 0.162 nan 4.420 nan 0.000 0.257 217 P C 0.362 177.744 177.300 0.137 0.000 1.281 217 P CA 0.317 63.496 63.100 0.131 0.000 0.826 217 P CB -0.466 31.345 31.700 0.185 0.000 1.237 218 D N 1.084 121.572 120.400 0.147 0.000 3.831 218 D HA -0.237 4.429 4.640 0.044 0.000 0.276 218 D C 0.953 177.353 176.300 0.167 0.000 2.100 218 D CA 1.718 55.803 54.000 0.142 0.000 1.140 218 D CB -0.839 40.015 40.800 0.089 0.000 0.949 218 D HN 0.164 nan 8.370 nan 0.000 1.144 219 N N 0.613 119.386 118.700 0.123 0.000 2.104 219 N HA -0.175 4.591 4.740 0.044 0.000 0.190 219 N C 1.590 177.153 175.510 0.088 0.000 1.024 219 N CA 2.364 55.477 53.050 0.105 0.000 0.853 219 N CB -0.242 38.288 38.487 0.071 0.000 1.008 219 N HN 0.352 nan 8.380 nan 0.000 0.424 220 K N -0.401 120.060 120.400 0.101 0.000 2.148 220 K HA 0.034 4.381 4.320 0.044 0.000 0.204 220 K C 2.232 178.885 176.600 0.088 0.000 1.050 220 K CA 1.113 57.455 56.287 0.091 0.000 0.942 220 K CB -0.411 32.211 32.500 0.203 0.000 0.724 220 K HN 0.429 nan 8.250 nan 0.000 0.446 221 G N 0.362 109.250 108.800 0.147 0.000 2.408 221 G HA2 -0.286 3.700 3.960 0.044 0.000 0.217 221 G HA3 -0.286 3.700 3.960 0.044 0.000 0.217 221 G C 1.390 176.390 174.900 0.167 0.000 1.150 221 G CA 0.564 45.776 45.100 0.186 0.000 0.776 221 G HN 0.321 nan 8.290 nan 0.000 0.542 222 Y N 1.808 122.132 120.300 0.040 0.000 2.242 222 Y HA 0.085 4.661 4.550 0.044 0.000 0.291 222 Y C 2.908 178.775 175.900 -0.054 0.000 1.137 222 Y CA 1.297 59.383 58.100 -0.023 0.000 1.181 222 Y CB -0.123 38.212 38.460 -0.207 0.000 0.989 222 Y HN 0.248 nan 8.280 nan 0.000 0.527 223 A N -0.603 122.068 122.820 -0.249 0.000 1.908 223 A HA -0.203 4.143 4.320 0.044 0.000 0.218 223 A C 2.388 179.808 177.584 -0.273 0.000 1.181 223 A CA 2.100 53.821 52.037 -0.527 0.000 0.627 223 A CB -1.182 17.047 19.000 -1.284 0.000 0.818 223 A HN 0.499 nan 8.150 nan 0.000 0.445 224 S N -1.789 113.894 115.700 -0.027 0.000 2.348 224 S HA -0.180 4.316 4.470 0.044 0.000 0.221 224 S C 1.851 176.580 174.600 0.215 0.000 1.033 224 S CA 1.540 59.957 58.200 0.362 0.000 1.010 224 S CB -0.633 62.776 63.200 0.347 0.000 0.891 224 S HN 0.695 nan 8.310 nan 0.000 0.442 225 Y N 1.695 121.961 120.300 -0.056 0.000 2.128 225 Y HA -0.303 4.274 4.550 0.044 0.000 0.284 225 Y C 2.471 178.254 175.900 -0.195 0.000 1.154 225 Y CA 2.415 60.442 58.100 -0.121 0.000 1.149 225 Y CB -0.670 37.705 38.460 -0.143 0.000 0.976 225 Y HN 0.403 nan 8.280 nan 0.000 0.505 226 H N -0.947 117.816 119.070 -0.512 0.000 2.352 226 H HA -0.250 4.332 4.556 0.043 0.000 0.299 226 H C 1.947 176.954 175.328 -0.536 0.000 1.097 226 H CA 2.375 57.999 56.048 -0.706 0.000 1.311 226 H CB -0.699 28.433 29.762 -1.051 0.000 1.377 226 H HN 0.566 nan 8.280 nan 0.000 0.504 227 W N 1.740 122.727 121.300 -0.522 0.000 2.408 227 W HA -0.058 4.624 4.660 0.037 0.000 0.311 227 W C 2.062 178.456 176.519 -0.209 0.000 1.190 227 W CA 1.685 58.887 57.345 -0.238 0.000 1.321 227 W CB -0.498 29.220 29.460 0.431 0.000 1.143 227 W HN 0.386 nan 8.180 nan 0.000 0.501 228 E N -1.738 118.560 120.200 0.164 0.000 2.028 228 E HA -0.255 4.121 4.350 0.044 0.000 0.191 228 E C 2.231 178.737 176.600 -0.156 0.000 0.988 228 E CA 1.588 58.015 56.400 0.046 0.000 0.799 228 E CB -0.676 29.041 29.700 0.029 0.000 0.755 228 E HN 0.214 nan 8.360 nan 0.000 0.447 229 H N 0.343 119.142 119.070 -0.451 0.000 2.399 229 H HA -0.020 4.562 4.556 0.044 0.000 0.300 229 H C 1.062 176.127 175.328 -0.439 0.000 1.048 229 H CA 1.189 56.913 56.048 -0.539 0.000 1.370 229 H CB 0.522 29.654 29.762 -1.051 0.000 1.428 229 H HN 0.088 nan 8.280 nan 0.000 0.534 230 D N -0.196 119.971 120.400 -0.389 0.000 2.262 230 D HA -0.013 4.653 4.640 0.044 0.000 0.212 230 D C 2.248 178.293 176.300 -0.426 0.000 0.964 230 D CA 0.482 54.261 54.000 -0.369 0.000 0.875 230 D CB 0.354 40.902 40.800 -0.421 0.000 0.996 230 D HN 0.202 nan 8.370 nan 0.000 0.497 231 V N 0.313 119.927 119.914 -0.500 0.000 2.398 231 V HA 0.006 4.152 4.120 0.044 0.000 0.236 231 V C 1.151 177.137 176.094 -0.180 0.000 1.054 231 V CA 0.266 62.364 62.300 -0.337 0.000 1.060 231 V CB -0.319 31.293 31.823 -0.352 0.000 0.707 231 V HN 0.065 nan 8.190 nan 0.000 0.480 232 S N 0.882 116.480 115.700 -0.170 0.000 2.544 232 S HA 0.002 4.499 4.470 0.044 0.000 0.290 232 S C 0.902 175.372 174.600 -0.217 0.000 1.276 232 S CA -0.160 57.855 58.200 -0.308 0.000 1.075 232 S CB 0.058 62.755 63.200 -0.839 0.000 0.849 232 S HN 0.291 nan 8.310 nan 0.000 0.494 233 R N 2.762 123.174 120.500 -0.147 0.000 2.427 233 R HA 0.227 4.593 4.340 0.044 0.000 0.262 233 R C 0.029 176.289 176.300 -0.067 0.000 0.943 233 R CA 0.071 56.110 56.100 -0.102 0.000 1.081 233 R CB -0.257 30.001 30.300 -0.069 0.000 1.166 233 R HN 0.635 nan 8.270 nan 0.000 0.534 234 K N 0.995 121.357 120.400 -0.063 0.000 2.235 234 K HA 0.178 4.524 4.320 0.044 0.000 0.266 234 K C 0.740 177.374 176.600 0.057 0.000 0.980 234 K CA 0.164 56.459 56.287 0.013 0.000 0.849 234 K CB 1.095 33.634 32.500 0.065 0.000 1.098 234 K HN 0.102 nan 8.250 nan 0.000 0.445 235 S N 2.880 118.600 115.700 0.034 0.000 4.103 235 S HA -0.316 4.180 4.470 0.044 0.000 0.538 235 S C 0.909 175.516 174.600 0.012 0.000 1.351 235 S CA 1.060 59.273 58.200 0.023 0.000 3.695 235 S CB -1.796 61.426 63.200 0.035 0.000 1.942 235 S HN 1.000 nan 8.310 nan 0.000 0.539 236 G N 0.598 109.399 108.800 0.003 0.000 4.403 236 G HA2 0.516 4.502 3.960 0.044 0.000 0.297 236 G HA3 0.516 4.502 3.960 0.044 0.000 0.297 236 G C -0.451 174.415 174.900 -0.055 0.000 1.325 236 G CA -0.522 44.551 45.100 -0.045 0.000 1.378 236 G HN 0.616 nan 8.290 nan 0.000 0.595 237 F N 1.913 121.777 119.950 -0.142 0.000 2.538 237 F HA 0.423 4.974 4.527 0.040 0.000 0.371 237 F C -0.087 175.580 175.800 -0.223 0.000 1.087 237 F CA 0.202 58.096 58.000 -0.177 0.000 1.250 237 F CB 1.082 39.979 39.000 -0.172 0.000 1.110 237 F HN 0.028 nan 8.300 nan 0.000 0.570 238 V N 5.893 125.360 119.914 -0.744 0.000 2.482 238 V HA 0.650 4.796 4.120 0.044 0.000 0.295 238 V C -0.534 175.232 176.094 -0.547 0.000 1.026 238 V CA -0.723 61.268 62.300 -0.514 0.000 0.856 238 V CB 1.260 32.738 31.823 -0.574 0.000 1.001 238 V HN 0.969 nan 8.190 nan 0.000 0.424 239 A N 4.056 126.732 122.820 -0.241 0.000 2.311 239 A HA 0.929 5.275 4.320 0.044 0.000 0.306 239 A C -0.027 177.645 177.584 0.147 0.000 1.189 239 A CA -0.269 51.686 52.037 -0.137 0.000 0.791 239 A CB 1.207 20.218 19.000 0.018 0.000 1.172 239 A HN 1.263 nan 8.150 nan 0.000 0.481 240 A N 1.971 124.807 122.820 0.026 0.000 2.317 240 A HA 0.797 5.143 4.320 0.044 0.000 0.327 240 A C -1.153 176.290 177.584 -0.235 0.000 1.178 240 A CA -0.353 51.712 52.037 0.048 0.000 0.817 240 A CB 0.295 19.313 19.000 0.030 0.000 1.189 240 A HN 0.693 nan 8.150 nan 0.000 0.489 241 F N 2.005 121.974 119.950 0.032 0.000 2.311 241 F HA 0.548 5.103 4.527 0.045 0.000 0.371 241 F C 0.816 176.615 175.800 -0.002 0.000 1.083 241 F CA -0.195 57.823 58.000 0.030 0.000 1.113 241 F CB 1.326 40.412 39.000 0.143 0.000 1.349 241 F HN 0.726 nan 8.300 nan 0.000 0.470 242 A N 2.941 125.700 122.820 -0.102 0.000 2.257 242 A HA 0.688 5.035 4.320 0.044 0.000 0.289 242 A C -0.075 177.611 177.584 0.170 0.000 1.095 242 A CA -0.594 51.428 52.037 -0.025 0.000 0.836 242 A CB 0.738 19.562 19.000 -0.292 0.000 1.111 242 A HN 0.562 nan 8.150 nan 0.000 0.497 243 Q N -0.832 119.130 119.800 0.270 0.000 2.204 243 Q HA 0.504 4.870 4.340 0.044 0.000 0.254 243 Q C 0.497 176.746 176.000 0.415 0.000 0.981 243 Q CA 0.212 56.207 55.803 0.320 0.000 0.897 243 Q CB 1.726 30.655 28.738 0.318 0.000 1.273 243 Q HN 0.992 nan 8.270 nan 0.000 0.464 244 T N -2.764 111.993 114.554 0.338 0.000 2.638 244 T HA 0.182 4.558 4.350 0.044 0.000 0.169 244 T C 0.136 175.037 174.700 0.334 0.000 0.790 244 T CA -0.417 61.877 62.100 0.323 0.000 1.151 244 T CB -0.138 68.865 68.868 0.225 0.000 2.581 244 T HN 0.662 nan 8.240 nan 0.000 0.391 245 N N 1.601 120.409 118.700 0.180 0.000 2.816 245 N HA 0.544 5.311 4.740 0.044 0.000 0.236 245 N C -0.022 175.569 175.510 0.135 0.000 1.076 245 N CA -0.505 52.616 53.050 0.118 0.000 0.902 245 N CB 1.605 40.021 38.487 -0.118 0.000 1.149 245 N HN 0.627 nan 8.380 nan 0.000 0.506 246 A N 1.099 124.066 122.820 0.245 0.000 2.423 246 A HA 0.343 4.689 4.320 0.044 0.000 0.246 246 A C 1.875 179.728 177.584 0.448 0.000 1.278 246 A CA -0.008 52.204 52.037 0.293 0.000 0.903 246 A CB -0.159 19.027 19.000 0.311 0.000 0.997 246 A HN 0.653 nan 8.150 nan 0.000 0.510 247 G N 1.988 111.016 108.800 0.381 0.000 2.547 247 G HA2 -0.326 3.660 3.960 0.044 0.000 0.221 247 G HA3 -0.326 3.660 3.960 0.044 0.000 0.221 247 G C 0.954 176.181 174.900 0.546 0.000 1.140 247 G CA 1.370 46.795 45.100 0.541 0.000 0.760 247 G HN 0.738 nan 8.290 nan 0.000 0.583 248 N N -0.650 118.236 118.700 0.310 0.000 2.235 248 N HA 0.225 4.992 4.740 0.044 0.000 0.231 248 N C -0.195 175.385 175.510 0.116 0.000 1.177 248 N CA -0.257 52.902 53.050 0.182 0.000 0.874 248 N CB -0.031 38.527 38.487 0.118 0.000 1.097 248 N HN 0.247 nan 8.380 nan 0.000 0.518 249 L N 0.467 121.803 121.223 0.188 0.000 2.287 249 L HA 0.464 4.831 4.340 0.044 0.000 0.287 249 L C 0.097 177.067 176.870 0.167 0.000 1.022 249 L CA -0.681 54.238 54.840 0.132 0.000 0.814 249 L CB 1.692 43.806 42.059 0.092 0.000 1.217 249 L HN 0.051 nan 8.230 nan 0.000 0.420 250 S N 4.013 119.762 115.700 0.081 0.000 2.537 250 S HA 0.573 5.070 4.470 0.044 0.000 0.301 250 S C -1.868 172.780 174.600 0.081 0.000 1.092 250 S CA -1.544 56.694 58.200 0.063 0.000 1.048 250 S CB 1.732 64.925 63.200 -0.011 0.000 1.053 250 S HN 0.458 nan 8.310 nan 0.000 0.501 251 P HA 0.071 nan 4.420 nan 0.000 0.239 251 P C -0.450 176.866 177.300 0.026 0.000 1.188 251 P CA 0.136 63.283 63.100 0.079 0.000 0.794 251 P CB -0.034 31.716 31.700 0.084 0.000 0.937 252 N N 1.597 120.301 118.700 0.007 0.000 2.434 252 N HA 0.024 4.790 4.740 0.044 0.000 0.273 252 N C 1.122 176.623 175.510 -0.015 0.000 1.210 252 N CA -0.013 53.026 53.050 -0.019 0.000 0.992 252 N CB 0.397 38.865 38.487 -0.031 0.000 1.355 252 N HN -0.019 nan 8.380 nan 0.000 0.495 253 L N 2.040 123.252 121.223 -0.019 0.000 2.187 253 L HA -0.154 4.212 4.340 0.044 0.000 0.213 253 L C 1.505 178.371 176.870 -0.008 0.000 1.100 253 L CA 1.530 56.365 54.840 -0.009 0.000 0.765 253 L CB -0.717 41.334 42.059 -0.015 0.000 0.904 253 L HN 0.520 nan 8.230 nan 0.000 0.437 254 N N -1.320 117.372 118.700 -0.014 0.000 2.418 254 N HA 0.458 5.224 4.740 0.044 0.000 0.199 254 N C 0.222 175.723 175.510 -0.015 0.000 1.044 254 N CA 0.887 53.931 53.050 -0.009 0.000 0.943 254 N CB 0.451 38.934 38.487 -0.007 0.000 1.154 254 N HN 0.035 nan 8.380 nan 0.000 0.467 255 L N 0.686 121.895 121.223 -0.024 0.000 5.612 255 L HA 0.180 4.547 4.340 0.044 0.000 0.236 255 L C -0.654 176.190 176.870 -0.044 0.000 1.224 255 L CA -0.952 53.867 54.840 -0.034 0.000 0.848 255 L CB -0.931 41.109 42.059 -0.032 0.000 1.504 255 L HN 0.247 nan 8.230 nan 0.000 0.316 256 K N 2.624 122.992 120.400 -0.054 0.000 6.088 256 K HA -0.110 4.236 4.320 0.044 0.000 0.624 256 K C -1.582 174.980 176.600 -0.063 0.000 1.685 256 K CA 0.879 57.123 56.287 -0.071 0.000 1.516 256 K CB -0.446 31.994 32.500 -0.100 0.000 1.815 256 K HN 1.597 nan 8.250 nan 0.000 0.319 257 P HA -0.178 nan 4.420 nan 0.000 0.014 257 P C -0.780 176.506 177.300 -0.023 0.000 0.519 257 P CA 2.074 65.147 63.100 -0.046 0.000 1.035 257 P CB -0.677 30.984 31.700 -0.065 0.000 1.908 258 G N -0.253 108.528 108.800 -0.033 0.000 2.770 258 G HA2 0.407 4.393 3.960 0.044 0.000 0.298 258 G HA3 0.407 4.393 3.960 0.044 0.000 0.298 258 G C 0.478 175.344 174.900 -0.057 0.000 1.534 258 G CA 0.069 45.150 45.100 -0.031 0.000 1.046 258 G HN 0.200 nan 8.290 nan 0.000 0.548 259 S N 0.758 116.397 115.700 -0.101 0.000 2.303 259 S HA 0.502 4.998 4.470 0.044 0.000 0.170 259 S C 1.385 175.901 174.600 -0.140 0.000 1.226 259 S CA 1.020 59.146 58.200 -0.123 0.000 1.750 259 S CB 0.137 63.227 63.200 -0.185 0.000 0.714 259 S HN 1.283 nan 8.310 nan 0.000 0.383 260 G N 1.849 110.498 108.800 -0.251 0.000 4.220 260 G HA2 0.470 4.456 3.960 0.044 0.000 0.256 260 G HA3 0.470 4.456 3.960 0.044 0.000 0.256 260 G C -2.792 171.943 174.900 -0.276 0.000 1.520 260 G CA -0.505 44.476 45.100 -0.199 0.000 0.608 260 G HN 0.357 nan 8.290 nan 0.000 0.415 261 P HA 0.779 nan 4.420 nan 0.000 0.300 261 P C -0.140 176.827 177.300 -0.555 0.000 1.234 261 P CA -0.738 62.231 63.100 -0.219 0.000 0.763 261 P CB 1.466 33.211 31.700 0.075 0.000 1.921 262 F N -1.508 118.445 119.950 0.004 0.000 2.183 262 F HA -0.136 4.417 4.527 0.044 0.000 0.318 262 F C 0.333 176.138 175.800 0.009 0.000 0.908 262 F CA -0.326 57.678 58.000 0.007 0.000 0.912 262 F CB -1.220 37.788 39.000 0.013 0.000 4.135 262 F HN 0.288 nan 8.300 nan 0.000 0.137 263 D N -0.168 120.373 120.400 0.235 0.000 2.402 263 D HA 0.156 4.822 4.640 0.044 0.000 0.216 263 D C -0.332 176.033 176.300 0.109 0.000 1.128 263 D CA 0.244 54.317 54.000 0.121 0.000 0.833 263 D CB 0.414 41.265 40.800 0.085 0.000 0.971 263 D HN 0.503 nan 8.370 nan 0.000 0.503 264 N N 0.827 119.619 118.700 0.154 0.000 2.295 264 N HA 0.036 4.803 4.740 0.044 0.000 0.293 264 N C 1.014 176.596 175.510 0.121 0.000 1.040 264 N CA -0.589 52.551 53.050 0.150 0.000 0.840 264 N CB 2.107 40.718 38.487 0.207 0.000 1.468 264 N HN -0.037 nan 8.380 nan 0.000 0.478 265 E N 2.137 122.366 120.200 0.047 0.000 2.118 265 E HA -0.228 4.148 4.350 0.044 0.000 0.195 265 E C 0.564 177.138 176.600 -0.043 0.000 0.992 265 E CA 1.298 57.660 56.400 -0.063 0.000 0.804 265 E CB -0.305 29.274 29.700 -0.201 0.000 0.741 265 E HN 0.581 nan 8.360 nan 0.000 0.458 266 F N 2.304 122.309 119.950 0.090 0.000 2.113 266 F HA -0.111 4.442 4.527 0.043 0.000 0.297 266 F C 2.143 178.116 175.800 0.289 0.000 1.103 266 F CA 1.450 59.561 58.000 0.185 0.000 1.248 266 F CB -0.172 38.853 39.000 0.041 0.000 0.999 266 F HN -0.065 nan 8.300 nan 0.000 0.475 267 D N 0.043 120.686 120.400 0.404 0.000 2.117 267 D HA -0.170 4.497 4.640 0.044 0.000 0.197 267 D C 1.742 178.083 176.300 0.067 0.000 0.987 267 D CA 1.250 55.453 54.000 0.337 0.000 0.829 267 D CB -0.751 40.394 40.800 0.575 0.000 0.961 267 D HN 0.416 nan 8.370 nan 0.000 0.460 268 N N -0.090 118.611 118.700 0.001 0.000 2.084 268 N HA -0.112 4.654 4.740 0.044 0.000 0.190 268 N C 1.720 177.177 175.510 -0.090 0.000 1.030 268 N CA 1.345 54.316 53.050 -0.133 0.000 0.849 268 N CB -0.016 38.422 38.487 -0.082 0.000 1.012 268 N HN 0.059 nan 8.380 nan 0.000 0.423 269 T N 0.880 115.441 114.554 0.011 0.000 2.652 269 T HA -0.189 4.187 4.350 0.044 0.000 0.267 269 T C 1.864 176.473 174.700 -0.151 0.000 1.039 269 T CA 1.130 63.253 62.100 0.038 0.000 1.153 269 T CB -0.204 68.810 68.868 0.244 0.000 0.863 269 T HN 0.260 nan 8.240 nan 0.000 0.428 270 R N 0.738 121.030 120.500 -0.346 0.000 2.073 270 R HA -0.140 4.226 4.340 0.044 0.000 0.234 270 R C 2.455 178.437 176.300 -0.531 0.000 1.134 270 R CA 1.789 57.289 56.100 -1.000 0.000 0.952 270 R CB -0.200 29.479 30.300 -1.035 0.000 0.850 270 R HN 0.237 nan 8.270 nan 0.000 0.433 271 E N 0.452 120.470 120.200 -0.304 0.000 2.077 271 E HA -0.148 4.229 4.350 0.044 0.000 0.193 271 E C 1.706 178.207 176.600 -0.165 0.000 0.989 271 E CA 1.326 57.589 56.400 -0.228 0.000 0.800 271 E CB -0.158 29.339 29.700 -0.338 0.000 0.746 271 E HN 0.352 nan 8.360 nan 0.000 0.452 272 I N 0.193 120.679 120.570 -0.141 0.000 2.315 272 I HA -0.062 4.135 4.170 0.044 0.000 0.248 272 I C 2.188 178.283 176.117 -0.037 0.000 1.117 272 I CA 1.432 62.694 61.300 -0.064 0.000 1.404 272 I CB -0.786 37.205 38.000 -0.014 0.000 1.071 272 I HN 0.246 nan 8.210 nan 0.000 0.419 273 G N 0.085 108.865 108.800 -0.033 0.000 2.402 273 G HA2 -0.201 3.785 3.960 0.044 0.000 0.216 273 G HA3 -0.201 3.785 3.960 0.044 0.000 0.216 273 G C 1.628 176.530 174.900 0.004 0.000 1.162 273 G CA 0.354 45.464 45.100 0.017 0.000 0.777 273 G HN 0.234 nan 8.290 nan 0.000 0.539 274 L N 0.795 122.019 121.223 0.002 0.000 2.012 274 L HA 0.024 4.391 4.340 0.044 0.000 0.210 274 L C 2.956 179.839 176.870 0.023 0.000 1.073 274 L CA 1.564 56.393 54.840 -0.018 0.000 0.748 274 L CB -0.831 41.163 42.059 -0.108 0.000 0.891 274 L HN 0.182 nan 8.230 nan 0.000 0.431 275 R N -1.229 119.247 120.500 -0.040 0.000 2.096 275 R HA -0.170 4.197 4.340 0.044 0.000 0.235 275 R C 2.165 178.404 176.300 -0.101 0.000 1.127 275 R CA 1.452 57.510 56.100 -0.070 0.000 0.968 275 R CB -0.286 29.962 30.300 -0.085 0.000 0.861 275 R HN 0.555 nan 8.270 nan 0.000 0.440 276 Q N -0.354 119.394 119.800 -0.086 0.000 2.079 276 Q HA -0.164 4.203 4.340 0.044 0.000 0.200 276 Q C 1.900 177.964 176.000 0.106 0.000 0.974 276 Q CA 1.433 57.200 55.803 -0.060 0.000 0.840 276 Q CB -0.195 28.549 28.738 0.009 0.000 0.898 276 Q HN 0.295 nan 8.270 nan 0.000 0.430 277 F N 1.454 121.349 119.950 -0.091 0.000 2.102 277 F HA -0.185 4.371 4.527 0.049 0.000 0.298 277 F C 2.140 177.889 175.800 -0.085 0.000 1.105 277 F CA 1.384 59.370 58.000 -0.024 0.000 1.239 277 F CB -0.521 38.397 39.000 -0.136 0.000 0.991 277 F HN -0.008 nan 8.300 nan 0.000 0.474 278 A N 0.404 123.000 122.820 -0.373 0.000 1.892 278 A HA -0.290 4.056 4.320 0.044 0.000 0.218 278 A C 2.215 179.591 177.584 -0.347 0.000 1.188 278 A CA 2.259 54.030 52.037 -0.443 0.000 0.631 278 A CB -0.995 17.912 19.000 -0.156 0.000 0.822 278 A HN 0.467 nan 8.150 nan 0.000 0.447 279 K N -0.152 120.115 120.400 -0.222 0.000 2.026 279 K HA -0.017 4.329 4.320 0.044 0.000 0.208 279 K C 2.023 178.528 176.600 -0.158 0.000 1.048 279 K CA 1.672 57.858 56.287 -0.167 0.000 0.929 279 K CB -0.498 31.903 32.500 -0.166 0.000 0.713 279 K HN 0.341 nan 8.250 nan 0.000 0.439 280 A N -0.469 122.272 122.820 -0.132 0.000 1.933 280 A HA -0.159 4.187 4.320 0.044 0.000 0.218 280 A C 2.182 179.652 177.584 -0.191 0.000 1.175 280 A CA 1.525 53.520 52.037 -0.069 0.000 0.628 280 A CB -0.937 18.143 19.000 0.134 0.000 0.814 280 A HN 0.560 nan 8.150 nan 0.000 0.444 281 Y N 0.334 120.197 120.300 -0.727 0.000 2.200 281 Y HA -0.184 4.397 4.550 0.053 0.000 0.290 281 Y C 2.447 178.127 175.900 -0.365 0.000 1.137 281 Y CA 2.197 59.808 58.100 -0.815 0.000 1.163 281 Y CB -0.123 37.510 38.460 -1.378 0.000 0.988 281 Y HN 0.504 nan 8.280 nan 0.000 0.518 282 E N 0.280 120.371 120.200 -0.180 0.000 2.051 282 E HA -0.227 4.149 4.350 0.044 0.000 0.192 282 E C 2.146 178.655 176.600 -0.152 0.000 0.991 282 E CA 1.868 58.188 56.400 -0.133 0.000 0.799 282 E CB -0.345 29.297 29.700 -0.097 0.000 0.748 282 E HN 0.623 nan 8.360 nan 0.000 0.449 283 I N 1.059 121.546 120.570 -0.139 0.000 2.226 283 I HA -0.255 3.941 4.170 0.044 0.000 0.245 283 I C 2.648 178.685 176.117 -0.133 0.000 1.100 283 I CA 1.031 62.255 61.300 -0.126 0.000 1.374 283 I CB -0.360 37.569 38.000 -0.118 0.000 1.057 283 I HN 0.171 nan 8.210 nan 0.000 0.413 284 A N 0.887 123.640 122.820 -0.112 0.000 1.933 284 A HA -0.124 4.222 4.320 0.044 0.000 0.218 284 A C 2.417 179.900 177.584 -0.168 0.000 1.175 284 A CA 1.828 53.816 52.037 -0.081 0.000 0.628 284 A CB -1.366 17.692 19.000 0.095 0.000 0.814 284 A HN 0.467 nan 8.150 nan 0.000 0.444 285 G N -0.975 107.682 108.800 -0.238 0.000 2.471 285 G HA2 -0.151 3.836 3.960 0.044 0.000 0.219 285 G HA3 -0.151 3.836 3.960 0.044 0.000 0.219 285 G C 1.483 176.265 174.900 -0.197 0.000 1.125 285 G CA 0.859 45.812 45.100 -0.245 0.000 0.775 285 G HN 0.673 nan 8.290 nan 0.000 0.548 286 Q N -0.306 119.392 119.800 -0.170 0.000 2.389 286 Q HA 0.375 4.741 4.340 0.044 0.000 0.204 286 Q C 1.659 177.555 176.000 -0.173 0.000 0.944 286 Q CA 0.232 55.951 55.803 -0.140 0.000 0.908 286 Q CB 0.057 28.735 28.738 -0.100 0.000 1.002 286 Q HN 0.415 nan 8.270 nan 0.000 0.493 287 A N 1.548 124.222 122.820 -0.243 0.000 2.462 287 A HA -0.349 3.997 4.320 0.044 0.000 0.294 287 A C 1.083 178.608 177.584 -0.097 0.000 1.461 287 A CA 1.018 52.830 52.037 -0.375 0.000 0.765 287 A CB -1.575 16.872 19.000 -0.923 0.000 1.071 287 A HN 0.571 nan 8.150 nan 0.000 0.401 288 Q N -0.242 119.554 119.800 -0.008 0.000 2.062 288 Q HA -0.179 4.187 4.340 0.044 0.000 0.209 288 Q C 1.029 177.131 176.000 0.170 0.000 0.996 288 Q CA 1.887 57.728 55.803 0.063 0.000 0.859 288 Q CB 0.099 28.855 28.738 0.031 0.000 0.920 288 Q HN 0.979 nan 8.270 nan 0.000 0.415 289 E N 0.438 120.799 120.200 0.268 0.000 2.281 289 E HA 0.151 4.527 4.350 0.044 0.000 0.266 289 E C -1.575 175.192 176.600 0.278 0.000 0.893 289 E CA -0.238 56.327 56.400 0.275 0.000 0.798 289 E CB 1.469 31.330 29.700 0.268 0.000 1.245 289 E HN 0.123 nan 8.360 nan 0.000 0.410 290 E N 3.129 123.426 120.200 0.163 0.000 2.392 290 E HA 0.143 4.520 4.350 0.044 0.000 0.264 290 E C -0.820 175.708 176.600 -0.120 0.000 1.024 290 E CA -0.453 55.792 56.400 -0.257 0.000 0.903 290 E CB 0.972 30.416 29.700 -0.426 0.000 0.963 290 E HN 0.248 nan 8.360 nan 0.000 0.432 291 V N 6.175 125.993 119.914 -0.159 0.000 2.498 291 V HA 0.333 4.479 4.120 0.044 0.000 0.279 291 V C 0.187 176.355 176.094 0.123 0.000 1.048 291 V CA -0.200 62.083 62.300 -0.027 0.000 0.967 291 V CB 0.478 32.237 31.823 -0.106 0.000 0.988 291 V HN 0.582 nan 8.190 nan 0.000 0.473 292 L N 3.832 125.132 121.223 0.128 0.000 2.466 292 L HA 0.945 5.311 4.340 0.044 0.000 0.258 292 L C 0.107 177.044 176.870 0.111 0.000 0.973 292 L CA -0.310 54.605 54.840 0.125 0.000 0.826 292 L CB 2.420 44.483 42.059 0.007 0.000 1.372 292 L HN 0.929 nan 8.230 nan 0.000 0.409 293 G N 0.992 109.838 108.800 0.077 0.000 2.381 293 G HA2 0.016 4.002 3.960 0.044 0.000 0.672 293 G HA3 0.016 4.002 3.960 0.044 0.000 0.672 293 G C -1.070 173.892 174.900 0.102 0.000 1.324 293 G CA -0.490 44.644 45.100 0.057 0.000 0.975 293 G HN 0.860 nan 8.290 nan 0.000 0.593 294 E N -0.999 119.238 120.200 0.061 0.000 2.428 294 E HA 0.507 4.883 4.350 0.044 0.000 0.257 294 E C -0.509 176.153 176.600 0.104 0.000 1.197 294 E CA -0.438 56.004 56.400 0.069 0.000 0.974 294 E CB 0.915 30.634 29.700 0.033 0.000 0.976 294 E HN 0.450 nan 8.360 nan 0.000 0.463 295 L N 1.449 122.725 121.223 0.088 0.000 2.329 295 L HA 0.505 4.872 4.340 0.044 0.000 0.279 295 L C -0.756 176.122 176.870 0.013 0.000 1.014 295 L CA -0.081 54.793 54.840 0.056 0.000 0.814 295 L CB 1.611 43.707 42.059 0.062 0.000 1.257 295 L HN 0.721 nan 8.230 nan 0.000 0.424 296 D N 0.382 120.778 120.400 -0.008 0.000 2.665 296 D HA 0.747 5.413 4.640 0.044 0.000 0.287 296 D C -1.642 174.661 176.300 0.005 0.000 1.266 296 D CA 0.016 54.017 54.000 0.001 0.000 0.830 296 D CB 2.332 43.150 40.800 0.031 0.000 1.356 296 D HN 0.522 nan 8.370 nan 0.000 0.437 297 S N 0.372 116.104 115.700 0.054 0.000 2.595 297 S HA 0.834 5.331 4.470 0.044 0.000 0.270 297 S C -1.594 173.112 174.600 0.178 0.000 1.145 297 S CA -0.982 57.314 58.200 0.160 0.000 0.825 297 S CB 2.262 65.521 63.200 0.099 0.000 1.107 297 S HN 0.424 nan 8.310 nan 0.000 0.461 298 R N 0.359 121.008 120.500 0.248 0.000 2.668 298 R HA 0.717 5.084 4.340 0.044 0.000 0.272 298 R C -1.941 174.520 176.300 0.268 0.000 1.019 298 R CA -0.564 55.657 56.100 0.202 0.000 0.894 298 R CB 1.646 32.022 30.300 0.126 0.000 1.228 298 R HN 0.864 nan 8.270 nan 0.000 0.460 299 F N 1.631 121.610 119.950 0.049 0.000 2.641 299 F HA 0.652 5.204 4.527 0.043 0.000 0.308 299 F C -1.437 174.327 175.800 -0.059 0.000 1.105 299 F CA -0.655 57.338 58.000 -0.013 0.000 0.964 299 F CB 1.792 40.795 39.000 0.005 0.000 1.294 299 F HN 0.578 nan 8.300 nan 0.000 0.442 300 R N 4.147 124.059 120.500 -0.979 0.000 2.633 300 R HA 0.427 4.793 4.340 0.044 0.000 0.256 300 R C -2.517 173.341 176.300 -0.737 0.000 1.131 300 R CA -0.679 55.083 56.100 -0.563 0.000 0.994 300 R CB 0.415 30.598 30.300 -0.196 0.000 1.261 300 R HN 0.450 nan 8.270 nan 0.000 0.446 301 F N 2.725 122.517 119.950 -0.264 0.000 2.438 301 F HA 0.377 4.930 4.527 0.045 0.000 0.356 301 F C 0.122 175.868 175.800 -0.090 0.000 1.099 301 F CA -0.152 57.765 58.000 -0.139 0.000 1.185 301 F CB 1.744 40.789 39.000 0.075 0.000 1.115 301 F HN 0.245 nan 8.300 nan 0.000 0.526 302 V N 3.267 123.256 119.914 0.124 0.000 2.448 302 V HA 0.182 4.328 4.120 0.044 0.000 0.295 302 V C -0.529 175.676 176.094 0.184 0.000 1.025 302 V CA -1.027 61.338 62.300 0.108 0.000 0.859 302 V CB 1.710 33.585 31.823 0.086 0.000 0.988 302 V HN 0.537 nan 8.190 nan 0.000 0.431 303 D N 3.248 123.719 120.400 0.118 0.000 2.336 303 D HA 0.219 4.886 4.640 0.044 0.000 0.249 303 D C 0.497 176.876 176.300 0.131 0.000 1.213 303 D CA -0.091 53.974 54.000 0.107 0.000 0.870 303 D CB 0.688 41.520 40.800 0.055 0.000 1.076 303 D HN 0.324 nan 8.370 nan 0.000 0.483 304 F N 1.553 121.366 119.950 -0.228 0.000 2.502 304 F HA -0.004 4.549 4.527 0.043 0.000 0.298 304 F C 1.494 177.163 175.800 -0.219 0.000 1.111 304 F CA 0.372 58.163 58.000 -0.348 0.000 1.445 304 F CB -0.720 37.846 39.000 -0.722 0.000 1.081 304 F HN 0.232 nan 8.300 nan 0.000 0.558 305 T N 3.033 117.620 114.554 0.054 0.000 2.708 305 T HA -0.004 4.373 4.350 0.044 0.000 0.271 305 T C 0.758 175.459 174.700 0.003 0.000 0.985 305 T CA 0.062 62.191 62.100 0.048 0.000 1.229 305 T CB -0.415 68.487 68.868 0.056 0.000 0.934 305 T HN 0.269 nan 8.240 nan 0.000 0.522 306 R N 0.218 120.719 120.500 0.001 0.000 3.525 306 R HA -0.154 4.212 4.340 0.044 0.000 0.276 306 R C 0.150 176.407 176.300 -0.072 0.000 1.116 306 R CA -0.019 56.067 56.100 -0.023 0.000 0.745 306 R CB -1.857 28.438 30.300 -0.009 0.000 1.185 306 R HN 0.620 nan 8.270 nan 0.000 0.454 307 L N 1.826 122.967 121.223 -0.137 0.000 2.462 307 L HA 0.166 4.532 4.340 0.044 0.000 0.272 307 L C -1.789 174.971 176.870 -0.184 0.000 1.166 307 L CA -1.447 53.268 54.840 -0.208 0.000 0.880 307 L CB 0.649 42.465 42.059 -0.407 0.000 1.142 307 L HN -0.150 nan 8.230 nan 0.000 0.473 308 P HA 0.205 nan 4.420 nan 0.000 0.276 308 P C -0.996 176.212 177.300 -0.155 0.000 1.243 308 P CA 0.264 63.287 63.100 -0.128 0.000 0.768 308 P CB 0.503 32.144 31.700 -0.098 0.000 0.856 309 I N 3.827 124.309 120.570 -0.147 0.000 2.355 309 I HA 0.339 4.535 4.170 0.044 0.000 0.288 309 I C 0.875 176.936 176.117 -0.092 0.000 0.999 309 I CA -0.903 60.309 61.300 -0.146 0.000 1.163 309 I CB 1.169 39.071 38.000 -0.164 0.000 1.316 309 I HN 0.125 nan 8.210 nan 0.000 0.454 310 R N 7.129 127.632 120.500 0.004 0.000 2.679 310 R HA 0.086 4.453 4.340 0.044 0.000 0.268 310 R C -1.298 175.009 176.300 0.011 0.000 1.044 310 R CA -1.130 54.996 56.100 0.043 0.000 1.105 310 R CB 0.288 30.671 30.300 0.138 0.000 0.989 310 R HN 0.425 nan 8.270 nan 0.000 0.447 311 P HA -0.244 nan 4.420 nan 0.000 0.218 311 P C 0.691 177.902 177.300 -0.148 0.000 1.146 311 P CA 1.468 64.487 63.100 -0.135 0.000 0.813 311 P CB 0.101 31.732 31.700 -0.115 0.000 0.778 312 E N -0.371 119.732 120.200 -0.161 0.000 2.409 312 E HA -0.123 4.253 4.350 0.044 0.000 0.198 312 E C 1.175 177.520 176.600 -0.425 0.000 1.024 312 E CA 0.814 57.030 56.400 -0.307 0.000 0.861 312 E CB -0.901 28.552 29.700 -0.411 0.000 0.788 312 E HN 0.316 nan 8.360 nan 0.000 0.521 313 F N 1.591 121.482 119.950 -0.099 0.000 2.721 313 F HA 0.106 4.658 4.527 0.043 0.000 0.301 313 F C 1.895 177.635 175.800 -0.100 0.000 1.096 313 F CA 0.561 58.526 58.000 -0.058 0.000 1.308 313 F CB 0.508 39.487 39.000 -0.035 0.000 1.086 313 F HN 0.048 nan 8.300 nan 0.000 0.587 314 T N -2.578 111.875 114.554 -0.169 0.000 2.235 314 T HA 0.112 4.488 4.350 0.044 0.000 0.194 314 T C 0.778 175.257 174.700 -0.367 0.000 0.754 314 T CA 0.368 62.065 62.100 -0.671 0.000 1.547 314 T CB -0.258 67.874 68.868 -1.226 0.000 3.195 314 T HN 0.026 nan 8.240 nan 0.000 0.408 315 D N -0.718 119.429 120.400 -0.421 0.000 2.462 315 D HA 0.379 5.046 4.640 0.044 0.000 0.221 315 D C 1.325 177.566 176.300 -0.100 0.000 1.173 315 D CA 0.273 54.216 54.000 -0.096 0.000 0.831 315 D CB -0.034 40.800 40.800 0.058 0.000 1.001 315 D HN 1.103 nan 8.370 nan 0.000 0.499 316 G N -0.273 108.435 108.800 -0.154 0.000 2.201 316 G HA2 -0.206 3.780 3.960 0.044 0.000 0.212 316 G HA3 -0.206 3.780 3.960 0.044 0.000 0.212 316 G C -0.090 174.738 174.900 -0.120 0.000 0.994 316 G CA -0.416 44.615 45.100 -0.114 0.000 0.644 316 G HN 0.289 nan 8.290 nan 0.000 0.508 317 Q N 0.308 120.010 119.800 -0.164 0.000 2.365 317 Q HA 0.496 4.862 4.340 0.044 0.000 0.269 317 Q C -2.772 173.109 176.000 -0.199 0.000 1.061 317 Q CA -1.887 53.829 55.803 -0.146 0.000 0.816 317 Q CB 2.436 31.108 28.738 -0.109 0.000 1.325 317 Q HN 0.131 nan 8.270 nan 0.000 0.446 318 P HA 0.123 nan 4.420 nan 0.000 0.266 318 P C -0.530 176.661 177.300 -0.181 0.000 1.195 318 P CA 0.143 63.153 63.100 -0.149 0.000 0.768 318 P CB 0.688 32.330 31.700 -0.095 0.000 0.838 319 R N 1.864 122.239 120.500 -0.208 0.000 2.799 319 R HA 0.498 4.865 4.340 0.044 0.000 0.270 319 R C -0.629 175.601 176.300 -0.117 0.000 1.010 319 R CA -0.860 55.126 56.100 -0.189 0.000 0.916 319 R CB 1.416 31.486 30.300 -0.383 0.000 1.228 319 R HN 0.498 nan 8.270 nan 0.000 0.469 320 Q N 0.903 120.672 119.800 -0.052 0.000 2.323 320 Q HA 0.373 4.740 4.340 0.044 0.000 0.271 320 Q C -0.695 175.308 176.000 0.004 0.000 1.048 320 Q CA -1.214 54.563 55.803 -0.043 0.000 0.792 320 Q CB 2.627 31.346 28.738 -0.032 0.000 1.280 320 Q HN 0.183 nan 8.270 nan 0.000 0.441 321 L N 1.753 122.959 121.223 -0.029 0.000 2.506 321 L HA 0.001 4.367 4.340 0.044 0.000 0.281 321 L C -0.243 176.674 176.870 0.078 0.000 1.228 321 L CA 0.461 55.315 54.840 0.023 0.000 0.850 321 L CB 0.245 42.253 42.059 -0.085 0.000 1.110 321 L HN 0.784 nan 8.230 nan 0.000 0.496 322 C N 0.877 120.256 119.300 0.132 0.000 2.480 322 C HA 0.574 5.060 4.460 0.044 0.000 0.358 322 C C 0.780 175.882 174.990 0.187 0.000 1.309 322 C CA -0.913 58.178 59.018 0.122 0.000 2.465 322 C CB 0.369 28.167 27.740 0.096 0.000 2.379 322 C HN 0.895 nan 8.230 nan 0.000 0.642 323 T N 0.011 114.644 114.554 0.133 0.000 2.899 323 T HA 0.510 4.887 4.350 0.044 0.000 0.295 323 T C 0.212 174.975 174.700 0.105 0.000 1.033 323 T CA -0.301 61.892 62.100 0.156 0.000 1.084 323 T CB 0.493 69.410 68.868 0.082 0.000 0.979 323 T HN 1.123 nan 8.240 nan 0.000 0.532 324 A N 1.265 124.130 122.820 0.075 0.000 2.565 324 A HA 0.517 4.863 4.320 0.044 0.000 0.237 324 A C 0.601 178.119 177.584 -0.111 0.000 1.053 324 A CA 0.018 51.964 52.037 -0.151 0.000 0.755 324 A CB -0.996 17.897 19.000 -0.178 0.000 0.980 324 A HN 1.780 nan 8.150 nan 0.000 0.506 325 A N 2.187 124.926 122.820 -0.134 0.000 2.594 325 A HA 0.637 4.983 4.320 0.044 0.000 0.296 325 A C -0.844 176.692 177.584 -0.080 0.000 1.061 325 A CA -0.468 51.516 52.037 -0.089 0.000 0.689 325 A CB 0.863 19.831 19.000 -0.053 0.000 1.280 325 A HN 0.793 nan 8.150 nan 0.000 0.406 326 I N 1.780 122.312 120.570 -0.064 0.000 2.433 326 I HA 0.576 4.772 4.170 0.044 0.000 0.292 326 I C 0.822 176.905 176.117 -0.057 0.000 1.001 326 I CA -0.570 60.697 61.300 -0.055 0.000 1.119 326 I CB 2.165 40.154 38.000 -0.018 0.000 1.289 326 I HN 0.809 nan 8.210 nan 0.000 0.438 327 G N 2.862 111.612 108.800 -0.083 0.000 2.491 327 G HA2 0.558 4.544 3.960 0.044 0.000 0.327 327 G HA3 0.558 4.544 3.960 0.044 0.000 0.327 327 G C -0.175 174.682 174.900 -0.072 0.000 1.189 327 G CA -0.403 44.647 45.100 -0.083 0.000 0.956 327 G HN 0.588 nan 8.290 nan 0.000 0.491 328 T N -1.964 112.557 114.554 -0.054 0.000 2.860 328 T HA 0.526 4.903 4.350 0.044 0.000 0.299 328 T C 0.306 174.981 174.700 -0.040 0.000 1.045 328 T CA -0.203 61.879 62.100 -0.029 0.000 1.071 328 T CB 1.459 70.316 68.868 -0.019 0.000 0.985 328 T HN 0.671 nan 8.240 nan 0.000 0.537 329 S N 0.317 116.016 115.700 -0.002 0.000 2.588 329 S HA 0.605 5.101 4.470 0.044 0.000 0.275 329 S C -0.993 173.626 174.600 0.032 0.000 1.130 329 S CA -0.981 57.225 58.200 0.011 0.000 0.855 329 S CB 1.359 64.598 63.200 0.065 0.000 1.116 329 S HN 0.851 nan 8.310 nan 0.000 0.472 330 L N 2.734 123.972 121.223 0.023 0.000 2.439 330 L HA 0.886 5.252 4.340 0.044 0.000 0.259 330 L C -0.414 176.470 176.870 0.023 0.000 1.129 330 L CA 0.254 55.104 54.840 0.017 0.000 0.803 330 L CB 1.423 43.483 42.059 0.003 0.000 1.161 330 L HN 0.834 nan 8.230 nan 0.000 0.462 331 A N 2.472 125.296 122.820 0.008 0.000 2.522 331 A HA 0.580 4.926 4.320 0.044 0.000 0.290 331 A C 0.199 177.777 177.584 -0.010 0.000 1.047 331 A CA 0.001 52.035 52.037 -0.005 0.000 0.935 331 A CB 0.267 19.261 19.000 -0.010 0.000 1.451 331 A HN 1.065 nan 8.150 nan 0.000 0.398 332 A N 1.226 124.038 122.820 -0.014 0.000 2.131 332 A HA 0.435 4.781 4.320 0.044 0.000 0.220 332 A C 1.317 178.890 177.584 -0.018 0.000 1.158 332 A CA 1.642 53.671 52.037 -0.013 0.000 0.665 332 A CB -0.052 18.939 19.000 -0.014 0.000 0.795 332 A HN 2.502 nan 8.150 nan 0.000 0.460 333 G N -0.830 107.955 108.800 -0.025 0.000 2.174 333 G HA2 0.455 4.442 3.960 0.044 0.000 0.312 333 G HA3 0.455 4.442 3.960 0.044 0.000 0.312 333 G C -0.364 174.508 174.900 -0.046 0.000 1.663 333 G CA -0.144 44.937 45.100 -0.032 0.000 0.920 333 G HN 0.897 nan 8.290 nan 0.000 0.664 334 S N 1.379 117.052 115.700 -0.045 0.000 2.574 334 S HA 0.071 4.567 4.470 0.044 0.000 0.302 334 S C 1.123 175.658 174.600 -0.107 0.000 1.270 334 S CA 0.899 59.063 58.200 -0.061 0.000 1.040 334 S CB 1.335 64.509 63.200 -0.044 0.000 0.767 334 S HN 0.749 nan 8.310 nan 0.000 0.494 335 T N 1.342 115.798 114.554 -0.163 0.000 3.039 335 T HA 0.068 4.445 4.350 0.044 0.000 0.250 335 T C 1.633 176.211 174.700 -0.203 0.000 1.052 335 T CA 0.842 62.827 62.100 -0.193 0.000 1.125 335 T CB -0.150 68.629 68.868 -0.148 0.000 0.908 335 T HN 0.920 nan 8.240 nan 0.000 0.473 336 E N -0.448 119.605 120.200 -0.245 0.000 2.434 336 E HA 0.178 4.554 4.350 0.044 0.000 0.207 336 E C 1.372 177.902 176.600 -0.116 0.000 0.929 336 E CA 0.356 56.654 56.400 -0.170 0.000 1.001 336 E CB 0.347 29.940 29.700 -0.177 0.000 1.016 336 E HN 0.130 nan 8.360 nan 0.000 0.502 337 D N -0.222 120.136 120.400 -0.070 0.000 2.267 337 D HA 0.191 4.857 4.640 0.044 0.000 0.297 337 D C 0.363 176.449 176.300 -0.357 0.000 1.087 337 D CA 1.054 54.916 54.000 -0.231 0.000 0.864 337 D CB 1.421 42.023 40.800 -0.329 0.000 1.557 337 D HN 0.247 nan 8.370 nan 0.000 0.523 338 G N 1.391 110.117 108.800 -0.123 0.000 2.690 338 G HA2 -0.162 3.825 3.960 0.044 0.000 0.686 338 G HA3 -0.162 3.825 3.960 0.044 0.000 0.686 338 G C -2.662 172.247 174.900 0.015 0.000 1.277 338 G CA -0.395 44.662 45.100 -0.071 0.000 0.799 338 G HN -0.031 nan 8.290 nan 0.000 0.613 339 P HA 0.202 nan 4.420 nan 0.000 0.214 339 P C 1.908 179.271 177.300 0.105 0.000 1.144 339 P CA 2.589 65.723 63.100 0.056 0.000 0.884 339 P CB 0.078 31.813 31.700 0.058 0.000 0.784 340 G N -0.427 108.467 108.800 0.157 0.000 5.059 340 G HA2 -0.288 3.699 3.960 0.044 0.000 0.336 340 G HA3 -0.288 3.699 3.960 0.044 0.000 0.336 340 G C -1.036 173.997 174.900 0.222 0.000 1.364 340 G CA 1.025 46.251 45.100 0.211 0.000 1.020 340 G HN 0.166 nan 8.290 nan 0.000 0.807 341 P HA 0.020 nan 4.420 nan 0.000 0.213 341 P C 1.946 179.334 177.300 0.148 0.000 1.170 341 P CA 2.295 65.532 63.100 0.228 0.000 0.902 341 P CB -0.094 31.774 31.700 0.281 0.000 0.789 342 L N -2.286 119.007 121.223 0.116 0.000 2.672 342 L HA 0.378 4.745 4.340 0.044 0.000 0.236 342 L C 1.802 178.720 176.870 0.081 0.000 1.092 342 L CA 1.680 56.571 54.840 0.085 0.000 0.887 342 L CB -1.683 40.413 42.059 0.061 0.000 1.168 342 L HN 0.009 nan 8.230 nan 0.000 0.502 343 G N 1.486 110.340 108.800 0.089 0.000 2.532 343 G HA2 -0.218 3.769 3.960 0.044 0.000 0.222 343 G HA3 -0.218 3.769 3.960 0.044 0.000 0.222 343 G C 0.711 175.656 174.900 0.075 0.000 1.102 343 G CA 0.345 45.492 45.100 0.078 0.000 0.742 343 G HN 0.315 nan 8.290 nan 0.000 0.577 344 L N 1.442 122.716 121.223 0.085 0.000 2.485 344 L HA 0.240 4.606 4.340 0.044 0.000 0.279 344 L C 1.289 178.192 176.870 0.055 0.000 1.124 344 L CA -0.114 54.771 54.840 0.074 0.000 0.888 344 L CB 0.992 43.098 42.059 0.078 0.000 1.217 344 L HN 0.101 nan 8.230 nan 0.000 0.464 345 E N 2.344 122.572 120.200 0.047 0.000 2.149 345 E HA -0.318 4.058 4.350 0.044 0.000 0.215 345 E C 0.958 177.574 176.600 0.026 0.000 1.055 345 E CA 2.130 58.551 56.400 0.035 0.000 0.870 345 E CB -0.178 29.541 29.700 0.032 0.000 0.764 345 E HN 0.750 nan 8.360 nan 0.000 0.463 346 E N -4.118 116.093 120.200 0.018 0.000 4.202 346 E HA -0.226 4.150 4.350 0.044 0.000 0.388 346 E C 1.371 177.966 176.600 -0.008 0.000 0.580 346 E CA 0.821 57.221 56.400 0.000 0.000 1.386 346 E CB -1.942 27.764 29.700 0.009 0.000 1.836 346 E HN 0.418 nan 8.360 nan 0.000 0.378 347 G N 1.184 109.987 108.800 0.004 0.000 2.492 347 G HA2 -0.078 3.908 3.960 0.044 0.000 0.214 347 G HA3 -0.078 3.908 3.960 0.044 0.000 0.214 347 G C 1.103 176.006 174.900 0.005 0.000 1.147 347 G CA 0.745 45.846 45.100 0.003 0.000 0.809 347 G HN 0.340 nan 8.290 nan 0.000 0.533 348 N N 0.468 119.175 118.700 0.012 0.000 2.204 348 N HA 0.037 4.803 4.740 0.044 0.000 0.219 348 N C -0.389 175.133 175.510 0.020 0.000 1.151 348 N CA -0.224 52.838 53.050 0.021 0.000 0.867 348 N CB 0.567 39.073 38.487 0.032 0.000 1.043 348 N HN 0.034 nan 8.380 nan 0.000 0.516 349 N N 2.625 121.324 118.700 -0.001 0.000 2.707 349 N HA 0.177 4.943 4.740 0.044 0.000 0.235 349 N C -1.705 173.748 175.510 -0.096 0.000 1.028 349 N CA -1.787 51.256 53.050 -0.011 0.000 0.906 349 N CB 1.474 39.959 38.487 -0.003 0.000 1.131 349 N HN 0.004 nan 8.380 nan 0.000 0.509 350 P HA -0.120 nan 4.420 nan 0.000 0.220 350 P C 1.304 178.120 177.300 -0.807 0.000 1.148 350 P CA 0.588 63.478 63.100 -0.349 0.000 0.803 350 P CB 0.141 31.737 31.700 -0.174 0.000 0.782 351 F N 0.797 120.298 119.950 -0.749 0.000 2.128 351 F HA -0.046 4.507 4.527 0.044 0.000 0.295 351 F C 2.292 177.844 175.800 -0.414 0.000 1.100 351 F CA 0.748 58.345 58.000 -0.671 0.000 1.260 351 F CB -1.156 37.737 39.000 -0.178 0.000 1.009 351 F HN -0.281 nan 8.300 nan 0.000 0.476 352 L N -0.686 120.300 121.223 -0.395 0.000 2.042 352 L HA -0.241 4.125 4.340 0.044 0.000 0.210 352 L C 2.722 179.412 176.870 -0.300 0.000 1.076 352 L CA 1.855 56.443 54.840 -0.421 0.000 0.749 352 L CB -0.701 41.242 42.059 -0.194 0.000 0.893 352 L HN 0.348 nan 8.230 nan 0.000 0.432 353 S N -0.521 115.034 115.700 -0.241 0.000 2.368 353 S HA -0.196 4.300 4.470 0.044 0.000 0.225 353 S C 2.065 176.563 174.600 -0.169 0.000 1.030 353 S CA 1.268 59.370 58.200 -0.164 0.000 0.999 353 S CB -0.193 62.921 63.200 -0.144 0.000 0.844 353 S HN 0.560 nan 8.310 nan 0.000 0.459 354 A N 1.087 123.740 122.820 -0.278 0.000 2.019 354 A HA 0.098 4.444 4.320 0.044 0.000 0.219 354 A C 2.170 179.694 177.584 -0.100 0.000 1.164 354 A CA 1.261 53.203 52.037 -0.159 0.000 0.644 354 A CB -0.649 18.255 19.000 -0.160 0.000 0.805 354 A HN 0.601 nan 8.150 nan 0.000 0.449 355 L N -2.219 118.876 121.223 -0.214 0.000 2.217 355 L HA 0.104 4.471 4.340 0.044 0.000 0.211 355 L C 1.982 178.917 176.870 0.108 0.000 1.107 355 L CA 0.967 55.743 54.840 -0.107 0.000 0.783 355 L CB -0.116 41.704 42.059 -0.398 0.000 0.919 355 L HN 0.597 nan 8.230 nan 0.000 0.442 356 G N -2.339 106.497 108.800 0.060 0.000 2.551 356 G HA2 -0.049 3.938 3.960 0.044 0.000 0.186 356 G HA3 -0.049 3.938 3.960 0.044 0.000 0.186 356 G C 0.807 175.752 174.900 0.075 0.000 1.002 356 G CA -0.275 44.873 45.100 0.080 0.000 0.723 356 G HN 0.447 nan 8.290 nan 0.000 0.481 357 G N -0.754 108.118 108.800 0.120 0.000 2.255 357 G HA2 0.094 4.081 3.960 0.044 0.000 0.196 357 G HA3 0.094 4.081 3.960 0.044 0.000 0.196 357 G C 0.863 175.847 174.900 0.140 0.000 0.998 357 G CA 0.990 46.145 45.100 0.092 0.000 0.656 357 G HN 1.848 nan 8.290 nan 0.000 0.490 358 L N -2.313 119.060 121.223 0.249 0.000 3.558 358 L HA -0.107 4.260 4.340 0.044 0.000 0.422 358 L C -0.105 176.753 176.870 -0.019 0.000 0.740 358 L CA 1.724 56.667 54.840 0.173 0.000 2.578 358 L CB -0.698 41.472 42.059 0.186 0.000 1.116 358 L HN 0.729 nan 8.230 nan 0.000 0.626 359 L N -0.287 120.913 121.223 -0.039 0.000 2.680 359 L HA 0.467 4.833 4.340 0.044 0.000 0.260 359 L C 0.473 177.307 176.870 -0.061 0.000 0.975 359 L CA 0.756 55.558 54.840 -0.063 0.000 0.920 359 L CB 1.455 43.496 42.059 -0.030 0.000 1.234 359 L HN 0.204 nan 8.230 nan 0.000 0.429 360 T N -1.109 113.389 114.554 -0.093 0.000 3.511 360 T HA 0.275 4.651 4.350 0.044 0.000 0.220 360 T C 0.840 175.494 174.700 -0.077 0.000 0.962 360 T CA 0.452 62.508 62.100 -0.074 0.000 1.099 360 T CB -0.222 68.599 68.868 -0.078 0.000 1.197 360 T HN 0.447 nan 8.240 nan 0.000 0.343 361 G N 3.311 112.049 108.800 -0.104 0.000 2.354 361 G HA2 0.450 4.436 3.960 0.044 0.000 0.266 361 G HA3 0.450 4.436 3.960 0.044 0.000 0.266 361 G C 0.162 175.013 174.900 -0.082 0.000 1.242 361 G CA -0.018 45.028 45.100 -0.090 0.000 0.923 361 G HN 1.032 nan 8.290 nan 0.000 0.476 362 V N 4.186 124.065 119.914 -0.059 0.000 2.450 362 V HA 0.263 4.410 4.120 0.044 0.000 0.281 362 V C -1.796 174.267 176.094 -0.050 0.000 1.019 362 V CA -1.739 60.531 62.300 -0.050 0.000 1.062 362 V CB 0.309 32.111 31.823 -0.036 0.000 0.979 362 V HN 0.529 nan 8.190 nan 0.000 0.477 363 P HA 0.175 nan 4.420 nan 0.000 0.260 363 P C -2.481 174.800 177.300 -0.032 0.000 1.172 363 P CA -0.331 62.740 63.100 -0.048 0.000 0.760 363 P CB -0.232 31.440 31.700 -0.046 0.000 0.773 364 P HA -0.090 nan 4.420 nan 0.000 0.266 364 P C 0.919 178.213 177.300 -0.010 0.000 1.193 364 P CA 0.014 63.103 63.100 -0.017 0.000 0.770 364 P CB 0.454 32.145 31.700 -0.014 0.000 0.836 365 Q N 2.455 122.251 119.800 -0.007 0.000 2.291 365 Q HA -0.220 4.146 4.340 0.044 0.000 0.206 365 Q C 0.829 176.832 176.000 0.005 0.000 0.976 365 Q CA 1.932 57.733 55.803 -0.002 0.000 0.875 365 Q CB -0.056 28.682 28.738 -0.001 0.000 0.927 365 Q HN 0.439 nan 8.270 nan 0.000 0.450 366 E N 0.849 121.052 120.200 0.005 0.000 2.106 366 E HA -0.078 4.299 4.350 0.044 0.000 0.192 366 E C 1.966 178.577 176.600 0.018 0.000 0.984 366 E CA 0.753 57.161 56.400 0.012 0.000 0.806 366 E CB -0.303 29.403 29.700 0.011 0.000 0.750 366 E HN 0.250 nan 8.360 nan 0.000 0.458 367 L N 0.478 121.709 121.223 0.012 0.000 2.005 367 L HA -0.140 4.226 4.340 0.044 0.000 0.207 367 L C 2.066 178.948 176.870 0.019 0.000 1.072 367 L CA 1.199 56.048 54.840 0.016 0.000 0.744 367 L CB -0.254 41.806 42.059 0.001 0.000 0.895 367 L HN 0.101 nan 8.230 nan 0.000 0.433 368 V N 0.228 120.148 119.914 0.010 0.000 2.282 368 V HA -0.381 3.766 4.120 0.044 0.000 0.249 368 V C 2.513 178.622 176.094 0.025 0.000 1.057 368 V CA 2.338 64.645 62.300 0.011 0.000 1.032 368 V CB -0.690 31.134 31.823 0.002 0.000 0.645 368 V HN 0.597 nan 8.190 nan 0.000 0.447 369 Q N -1.031 118.785 119.800 0.026 0.000 2.079 369 Q HA -0.238 4.128 4.340 0.044 0.000 0.200 369 Q C 2.353 178.384 176.000 0.052 0.000 0.974 369 Q CA 2.306 58.130 55.803 0.035 0.000 0.840 369 Q CB -0.465 28.291 28.738 0.030 0.000 0.898 369 Q HN 0.674 nan 8.270 nan 0.000 0.430 370 C N 0.700 120.032 119.300 0.053 0.000 2.425 370 C HA -0.056 4.430 4.460 0.044 0.000 0.277 370 C C 2.404 177.436 174.990 0.070 0.000 1.280 370 C CA 0.775 59.834 59.018 0.069 0.000 1.744 370 C CB -0.734 27.044 27.740 0.063 0.000 1.989 370 C HN 0.559 nan 8.230 nan 0.000 0.491 371 Q N 0.341 120.184 119.800 0.072 0.000 2.515 371 Q HA 0.167 4.533 4.340 0.044 0.000 0.212 371 Q C 1.534 177.637 176.000 0.172 0.000 0.970 371 Q CA 0.903 56.775 55.803 0.115 0.000 0.941 371 Q CB -0.347 28.448 28.738 0.096 0.000 0.998 371 Q HN 0.799 nan 8.270 nan 0.000 0.518 372 A N 1.897 124.783 122.820 0.109 0.000 5.308 372 A HA -0.335 4.011 4.320 0.044 0.000 0.321 372 A C 1.297 178.929 177.584 0.081 0.000 1.849 372 A CA 1.794 53.894 52.037 0.105 0.000 0.713 372 A CB -1.550 17.521 19.000 0.119 0.000 1.360 372 A HN 0.500 nan 8.150 nan 0.000 0.384 373 E N 1.354 121.600 120.200 0.077 0.000 2.472 373 E HA -0.063 4.313 4.350 0.044 0.000 0.200 373 E C 0.837 177.379 176.600 -0.096 0.000 1.046 373 E CA 1.181 57.567 56.400 -0.023 0.000 0.871 373 E CB -0.421 29.249 29.700 -0.051 0.000 0.806 373 E HN 0.690 nan 8.360 nan 0.000 0.533 374 K N 2.232 122.566 120.400 -0.110 0.000 2.401 374 K HA 0.043 4.389 4.320 0.044 0.000 0.278 374 K C -0.418 176.136 176.600 -0.077 0.000 1.018 374 K CA 0.243 56.436 56.287 -0.156 0.000 0.981 374 K CB 0.479 32.906 32.500 -0.121 0.000 0.933 374 K HN 0.003 nan 8.250 nan 0.000 0.477 375 T N 3.031 117.535 114.554 -0.083 0.000 2.929 375 T HA 0.334 4.710 4.350 0.044 0.000 0.331 375 T C 0.518 175.187 174.700 -0.052 0.000 1.120 375 T CA -0.781 61.287 62.100 -0.054 0.000 0.973 375 T CB -0.255 68.585 68.868 -0.048 0.000 1.036 375 T HN 0.444 nan 8.240 nan 0.000 0.502 376 I N 4.108 124.652 120.570 -0.043 0.000 2.741 376 I HA -0.033 4.164 4.170 0.044 0.000 0.288 376 I C 1.172 177.264 176.117 -0.041 0.000 1.192 376 I CA -0.182 61.092 61.300 -0.043 0.000 1.426 376 I CB 0.718 38.694 38.000 -0.039 0.000 1.367 376 I HN 0.557 nan 8.210 nan 0.000 0.563 377 L N 7.458 128.657 121.223 -0.040 0.000 2.349 377 L HA 0.451 4.817 4.340 0.044 0.000 0.200 377 L C 0.729 177.575 176.870 -0.040 0.000 1.064 377 L CA 0.951 55.774 54.840 -0.028 0.000 0.821 377 L CB 0.167 42.220 42.059 -0.010 0.000 1.027 377 L HN 0.655 nan 8.230 nan 0.000 0.476 378 A N -0.222 122.567 122.820 -0.052 0.000 2.353 378 A HA 0.456 4.803 4.320 0.044 0.000 0.299 378 A C -1.458 176.047 177.584 -0.132 0.000 1.089 378 A CA -0.485 51.495 52.037 -0.096 0.000 0.736 378 A CB 0.572 19.540 19.000 -0.054 0.000 1.195 378 A HN 0.143 nan 8.150 nan 0.000 0.447 379 D N 3.341 123.631 120.400 -0.183 0.000 2.483 379 D HA 0.160 4.827 4.640 0.044 0.000 0.220 379 D C 1.476 177.613 176.300 -0.271 0.000 1.173 379 D CA 0.586 54.479 54.000 -0.177 0.000 0.964 379 D CB 0.625 41.334 40.800 -0.153 0.000 1.046 379 D HN 0.532 nan 8.370 nan 0.000 0.517 380 T N -0.381 114.040 114.554 -0.221 0.000 2.985 380 T HA 0.008 4.384 4.350 0.044 0.000 0.266 380 T C 1.944 176.554 174.700 -0.150 0.000 1.076 380 T CA 0.731 62.687 62.100 -0.239 0.000 1.135 380 T CB -0.123 68.706 68.868 -0.065 0.000 0.890 380 T HN 0.254 nan 8.240 nan 0.000 0.480 381 G N 1.382 110.130 108.800 -0.087 0.000 2.443 381 G HA2 -0.099 3.887 3.960 0.044 0.000 0.219 381 G HA3 -0.099 3.887 3.960 0.044 0.000 0.219 381 G C 1.390 176.275 174.900 -0.025 0.000 1.131 381 G CA 0.409 45.501 45.100 -0.013 0.000 0.775 381 G HN 0.645 nan 8.290 nan 0.000 0.547 382 N N -0.355 118.293 118.700 -0.087 0.000 2.280 382 N HA 0.105 4.871 4.740 0.044 0.000 0.192 382 N C 0.278 175.711 175.510 -0.128 0.000 1.109 382 N CA -0.324 52.676 53.050 -0.084 0.000 0.855 382 N CB 0.438 38.874 38.487 -0.084 0.000 0.974 382 N HN -0.022 nan 8.380 nan 0.000 0.482 383 K N 1.574 121.845 120.400 -0.214 0.000 2.469 383 K HA 0.091 4.438 4.320 0.044 0.000 0.274 383 K C 0.139 176.693 176.600 -0.076 0.000 0.983 383 K CA 0.608 56.729 56.287 -0.278 0.000 0.974 383 K CB 0.545 32.654 32.500 -0.651 0.000 0.913 383 K HN -0.046 nan 8.250 nan 0.000 0.493 384 K N 1.781 122.158 120.400 -0.039 0.000 2.385 384 K HA 0.309 4.656 4.320 0.044 0.000 0.248 384 K C -1.750 174.878 176.600 0.048 0.000 0.955 384 K CA -1.822 54.456 56.287 -0.014 0.000 0.816 384 K CB 1.073 33.545 32.500 -0.047 0.000 1.250 384 K HN 0.181 nan 8.250 nan 0.000 0.434 385 P HA 0.040 nan 4.420 nan 0.000 0.229 385 P C -0.664 176.442 177.300 -0.323 0.000 1.160 385 P CA 0.878 63.869 63.100 -0.182 0.000 0.777 385 P CB 0.198 31.752 31.700 -0.243 0.000 0.814 386 Y N -0.491 119.869 120.300 0.101 0.000 2.462 386 Y HA 0.379 4.956 4.550 0.044 0.000 0.346 386 Y C -2.306 173.720 175.900 0.210 0.000 0.976 386 Y CA -3.207 54.973 58.100 0.133 0.000 1.044 386 Y CB 1.412 39.938 38.460 0.108 0.000 1.230 386 Y HN -0.220 nan 8.280 nan 0.000 0.455 387 P HA -0.057 nan 4.420 nan 0.000 0.271 387 P C -0.008 177.592 177.300 0.500 0.000 1.218 387 P CA -0.013 63.262 63.100 0.293 0.000 0.780 387 P CB 0.946 32.785 31.700 0.232 0.000 0.901 388 W N 1.202 122.569 121.300 0.111 0.000 2.937 388 W HA 0.035 4.721 4.660 0.043 0.000 0.245 388 W C 0.974 177.506 176.519 0.021 0.000 1.306 388 W CA 0.365 57.754 57.345 0.074 0.000 1.470 388 W CB -1.135 28.302 29.460 -0.039 0.000 1.132 388 W HN 0.302 nan 8.180 nan 0.000 0.675 389 T N -2.593 112.058 114.554 0.161 0.000 2.906 389 T HA 0.499 4.875 4.350 0.044 0.000 0.295 389 T C -2.642 171.762 174.700 -0.493 0.000 1.075 389 T CA -2.445 59.559 62.100 -0.162 0.000 1.005 389 T CB 2.700 71.510 68.868 -0.097 0.000 1.136 389 T HN -0.393 nan 8.240 nan 0.000 0.498 390 P HA 0.172 nan 4.420 nan 0.000 0.270 390 P C 0.482 177.684 177.300 -0.163 0.000 1.223 390 P CA -0.091 62.546 63.100 -0.771 0.000 0.785 390 P CB 0.788 32.210 31.700 -0.464 0.000 0.923 391 T N -2.731 111.776 114.554 -0.079 0.000 2.980 391 T HA 0.151 4.528 4.350 0.044 0.000 0.252 391 T C 0.476 175.140 174.700 -0.061 0.000 0.962 391 T CA 0.042 62.145 62.100 0.006 0.000 0.932 391 T CB -0.139 68.785 68.868 0.092 0.000 1.188 391 T HN 0.144 nan 8.240 nan 0.000 0.500 392 V N 2.962 122.852 119.914 -0.040 0.000 2.347 392 V HA 0.604 4.751 4.120 0.044 0.000 0.280 392 V C -0.648 175.429 176.094 -0.027 0.000 1.021 392 V CA -0.800 61.491 62.300 -0.015 0.000 0.847 392 V CB 1.227 33.046 31.823 -0.007 0.000 0.990 392 V HN 0.395 nan 8.190 nan 0.000 0.444 393 L N 7.224 128.386 121.223 -0.102 0.000 2.354 393 L HA 0.639 5.005 4.340 0.044 0.000 0.269 393 L C -2.496 174.376 176.870 0.002 0.000 1.005 393 L CA -1.938 52.831 54.840 -0.118 0.000 0.819 393 L CB 3.196 44.904 42.059 -0.586 0.000 1.311 393 L HN 0.392 nan 8.230 nan 0.000 0.423 394 P HA 0.288 nan 4.420 nan 0.000 0.285 394 P C -1.270 175.797 177.300 -0.389 0.000 1.259 394 P CA -0.242 62.593 63.100 -0.441 0.000 0.794 394 P CB 1.677 33.140 31.700 -0.395 0.000 0.940 395 I N 3.219 123.432 120.570 -0.594 0.000 2.418 395 I HA 0.424 4.620 4.170 0.044 0.000 0.287 395 I C 0.166 176.026 176.117 -0.429 0.000 1.008 395 I CA -0.441 60.561 61.300 -0.496 0.000 1.104 395 I CB 1.621 39.261 38.000 -0.600 0.000 1.264 395 I HN 0.475 nan 8.210 nan 0.000 0.438 396 Q N 6.478 126.205 119.800 -0.122 0.000 2.345 396 Q HA 0.712 5.078 4.340 0.044 0.000 0.275 396 Q C -1.894 174.190 176.000 0.140 0.000 1.063 396 Q CA -0.684 55.144 55.803 0.041 0.000 0.819 396 Q CB 3.209 32.021 28.738 0.123 0.000 1.356 396 Q HN 0.636 nan 8.270 nan 0.000 0.418 397 M N 2.860 122.568 119.600 0.179 0.000 2.386 397 M HA 0.502 5.008 4.480 0.044 0.000 0.293 397 M C -1.650 174.883 176.300 0.388 0.000 1.120 397 M CA -0.572 54.839 55.300 0.185 0.000 0.909 397 M CB 1.790 34.504 32.600 0.191 0.000 1.661 397 M HN 0.489 nan 8.290 nan 0.000 0.452 398 F N 1.915 121.899 119.950 0.057 0.000 2.482 398 F HA 0.571 5.123 4.527 0.042 0.000 0.331 398 F C 0.038 175.845 175.800 0.011 0.000 1.115 398 F CA -1.074 56.958 58.000 0.053 0.000 0.955 398 F CB 1.639 40.678 39.000 0.065 0.000 1.136 398 F HN 0.463 nan 8.300 nan 0.000 0.452 399 R N 4.536 125.140 120.500 0.172 0.000 2.294 399 R HA 0.684 5.050 4.340 0.044 0.000 0.319 399 R C -1.414 174.914 176.300 0.047 0.000 0.984 399 R CA -0.277 55.870 56.100 0.078 0.000 0.861 399 R CB 0.664 30.996 30.300 0.053 0.000 1.104 399 R HN 0.712 nan 8.270 nan 0.000 0.451 400 I N 6.114 126.694 120.570 0.016 0.000 2.537 400 I HA 0.269 4.465 4.170 0.044 0.000 0.276 400 I C 0.786 176.887 176.117 -0.027 0.000 1.063 400 I CA -0.261 61.024 61.300 -0.024 0.000 1.144 400 I CB 1.355 39.319 38.000 -0.061 0.000 1.252 400 I HN 1.099 nan 8.210 nan 0.000 0.480 401 G N 5.217 114.046 108.800 0.048 0.000 2.561 401 G HA2 -0.310 3.676 3.960 0.044 0.000 0.289 401 G HA3 -0.310 3.676 3.960 0.044 0.000 0.289 401 G C 0.717 175.619 174.900 0.003 0.000 1.169 401 G CA 0.540 45.682 45.100 0.070 0.000 0.980 401 G HN 0.679 nan 8.290 nan 0.000 0.550 402 Q N 0.547 120.330 119.800 -0.028 0.000 2.365 402 Q HA 0.367 4.733 4.340 0.044 0.000 0.203 402 Q C 0.384 176.315 176.000 -0.116 0.000 0.929 402 Q CA 0.420 56.180 55.803 -0.072 0.000 0.948 402 Q CB 0.305 28.993 28.738 -0.084 0.000 1.043 402 Q HN 0.410 nan 8.270 nan 0.000 0.505 403 L N 1.531 122.691 121.223 -0.106 0.000 2.322 403 L HA 0.429 4.795 4.340 0.044 0.000 0.279 403 L C -0.215 176.595 176.870 -0.099 0.000 1.036 403 L CA -0.428 54.326 54.840 -0.143 0.000 0.807 403 L CB 1.759 43.717 42.059 -0.169 0.000 1.226 403 L HN 0.067 nan 8.230 nan 0.000 0.433 404 E N 2.481 122.609 120.200 -0.120 0.000 2.224 404 E HA 0.425 4.801 4.350 0.044 0.000 0.265 404 E C -1.500 175.008 176.600 -0.154 0.000 0.878 404 E CA -0.876 55.477 56.400 -0.080 0.000 0.759 404 E CB 2.650 32.316 29.700 -0.057 0.000 1.164 404 E HN 0.253 nan 8.360 nan 0.000 0.414 405 L N 4.631 125.782 121.223 -0.120 0.000 2.305 405 L HA 0.384 4.750 4.340 0.044 0.000 0.284 405 L C -1.718 175.016 176.870 -0.226 0.000 1.013 405 L CA -0.615 54.081 54.840 -0.240 0.000 0.819 405 L CB 0.774 42.718 42.059 -0.193 0.000 1.227 405 L HN 0.389 nan 8.230 nan 0.000 0.417 406 L N 4.957 125.964 121.223 -0.359 0.000 2.295 406 L HA 0.681 5.047 4.340 0.044 0.000 0.285 406 L C 0.710 177.284 176.870 -0.493 0.000 1.035 406 L CA -0.056 54.515 54.840 -0.449 0.000 0.806 406 L CB 1.540 43.083 42.059 -0.861 0.000 1.214 406 L HN 0.750 nan 8.230 nan 0.000 0.426 407 G N 2.356 111.005 108.800 -0.252 0.000 2.468 407 G HA2 0.634 4.620 3.960 0.044 0.000 0.320 407 G HA3 0.634 4.620 3.960 0.044 0.000 0.320 407 G C -0.685 174.152 174.900 -0.104 0.000 1.137 407 G CA -0.300 44.681 45.100 -0.199 0.000 0.984 407 G HN 0.764 nan 8.290 nan 0.000 0.462 408 A N 5.022 127.644 122.820 -0.330 0.000 2.271 408 A HA 0.769 5.115 4.320 0.044 0.000 0.317 408 A C -1.887 175.686 177.584 -0.019 0.000 1.245 408 A CA -1.769 50.179 52.037 -0.148 0.000 0.857 408 A CB 1.635 20.174 19.000 -0.769 0.000 1.175 408 A HN 0.440 nan 8.150 nan 0.000 0.512 409 P HA 0.331 nan 4.420 nan 0.000 0.237 409 P C -0.120 177.157 177.300 -0.040 0.000 1.723 409 P CA 0.869 63.994 63.100 0.043 0.000 0.882 409 P CB -0.163 31.566 31.700 0.047 0.000 1.810 410 A N 0.006 122.775 122.820 -0.084 0.000 2.511 410 A HA 0.468 4.815 4.320 0.044 0.000 0.293 410 A C -1.352 175.914 177.584 -0.531 0.000 1.098 410 A CA -0.742 51.056 52.037 -0.398 0.000 0.643 410 A CB 0.826 19.533 19.000 -0.489 0.000 1.302 410 A HN 0.068 nan 8.150 nan 0.000 0.446 411 E N 0.236 119.983 120.200 -0.756 0.000 2.146 411 E HA 0.524 4.900 4.350 0.044 0.000 0.282 411 E C -1.735 174.628 176.600 -0.396 0.000 0.989 411 E CA -0.013 55.948 56.400 -0.732 0.000 0.799 411 E CB 1.055 30.227 29.700 -0.880 0.000 1.088 411 E HN 0.347 nan 8.360 nan 0.000 0.397 412 F N 1.427 121.256 119.950 -0.202 0.000 2.436 412 F HA 0.168 4.722 4.527 0.045 0.000 0.340 412 F C 1.143 176.930 175.800 -0.022 0.000 1.113 412 F CA -0.893 57.050 58.000 -0.095 0.000 1.022 412 F CB 1.473 40.368 39.000 -0.174 0.000 1.128 412 F HN 0.261 nan 8.300 nan 0.000 0.466 413 T N -0.684 113.960 114.554 0.150 0.000 2.802 413 T HA 0.168 4.545 4.350 0.044 0.000 0.305 413 T C 1.353 176.085 174.700 0.053 0.000 1.053 413 T CA -0.774 61.407 62.100 0.136 0.000 1.058 413 T CB 0.765 69.711 68.868 0.130 0.000 0.988 413 T HN 0.341 nan 8.240 nan 0.000 0.539 414 V N 1.200 121.129 119.914 0.024 0.000 2.231 414 V HA -0.229 3.917 4.120 0.044 0.000 0.250 414 V C 2.797 178.789 176.094 -0.169 0.000 1.058 414 V CA 2.105 64.350 62.300 -0.092 0.000 1.022 414 V CB -0.839 30.921 31.823 -0.105 0.000 0.640 414 V HN 0.809 nan 8.190 nan 0.000 0.445 415 M N -0.506 119.055 119.600 -0.065 0.000 2.229 415 M HA -0.048 4.458 4.480 0.044 0.000 0.264 415 M C 2.355 178.602 176.300 -0.090 0.000 1.063 415 M CA 1.899 57.130 55.300 -0.115 0.000 1.114 415 M CB -1.704 30.856 32.600 -0.067 0.000 1.387 415 M HN 0.428 nan 8.290 nan 0.000 0.420 416 A N 0.286 123.090 122.820 -0.027 0.000 1.908 416 A HA -0.039 4.308 4.320 0.044 0.000 0.218 416 A C 2.450 179.974 177.584 -0.102 0.000 1.181 416 A CA 2.087 54.143 52.037 0.032 0.000 0.627 416 A CB -1.374 17.701 19.000 0.125 0.000 0.818 416 A HN 0.504 nan 8.150 nan 0.000 0.445 417 G N -0.947 107.662 108.800 -0.318 0.000 2.396 417 G HA2 0.015 4.002 3.960 0.044 0.000 0.214 417 G HA3 0.015 4.002 3.960 0.044 0.000 0.214 417 G C 1.488 176.026 174.900 -0.604 0.000 1.166 417 G CA 0.990 45.550 45.100 -0.900 0.000 0.793 417 G HN 0.289 nan 8.290 nan 0.000 0.533 418 V N 0.939 120.629 119.914 -0.374 0.000 2.287 418 V HA -0.235 3.912 4.120 0.044 0.000 0.248 418 V C 2.946 178.946 176.094 -0.157 0.000 1.053 418 V CA 2.160 64.304 62.300 -0.260 0.000 1.027 418 V CB -0.508 31.120 31.823 -0.325 0.000 0.646 418 V HN 0.317 nan 8.190 nan 0.000 0.447 419 R N -0.481 119.947 120.500 -0.120 0.000 2.091 419 R HA -0.126 4.240 4.340 0.044 0.000 0.238 419 R C 2.256 178.547 176.300 -0.015 0.000 1.136 419 R CA 1.780 57.863 56.100 -0.030 0.000 0.959 419 R CB -0.454 29.858 30.300 0.021 0.000 0.856 419 R HN 0.451 nan 8.270 nan 0.000 0.437 420 I N 0.329 120.851 120.570 -0.080 0.000 2.226 420 I HA -0.278 3.919 4.170 0.044 0.000 0.245 420 I C 2.562 178.643 176.117 -0.060 0.000 1.100 420 I CA 1.279 62.553 61.300 -0.043 0.000 1.374 420 I CB -0.230 37.685 38.000 -0.141 0.000 1.057 420 I HN 0.161 nan 8.210 nan 0.000 0.413 421 R N 0.479 120.897 120.500 -0.136 0.000 2.073 421 R HA -0.140 4.226 4.340 0.044 0.000 0.234 421 R C 2.485 178.770 176.300 -0.026 0.000 1.134 421 R CA 1.394 57.446 56.100 -0.080 0.000 0.952 421 R CB -0.301 29.942 30.300 -0.095 0.000 0.850 421 R HN 0.370 nan 8.270 nan 0.000 0.433 422 R N 0.138 120.631 120.500 -0.012 0.000 2.081 422 R HA -0.081 4.285 4.340 0.044 0.000 0.235 422 R C 2.357 178.673 176.300 0.027 0.000 1.131 422 R CA 1.372 57.480 56.100 0.014 0.000 0.960 422 R CB -0.407 29.908 30.300 0.025 0.000 0.856 422 R HN 0.208 nan 8.270 nan 0.000 0.436 423 A N 0.777 123.626 122.820 0.048 0.000 1.877 423 A HA -0.121 4.225 4.320 0.044 0.000 0.216 423 A C 2.382 180.015 177.584 0.083 0.000 1.186 423 A CA 1.486 53.575 52.037 0.088 0.000 0.620 423 A CB -0.538 18.559 19.000 0.161 0.000 0.822 423 A HN 0.122 nan 8.150 nan 0.000 0.443 424 V N -0.149 119.805 119.914 0.066 0.000 2.358 424 V HA -0.245 3.902 4.120 0.044 0.000 0.246 424 V C 2.725 178.833 176.094 0.023 0.000 1.047 424 V CA 2.263 64.597 62.300 0.057 0.000 1.035 424 V CB -0.698 31.145 31.823 0.033 0.000 0.658 424 V HN 0.731 nan 8.190 nan 0.000 0.452 425 Q N 1.000 120.801 119.800 0.002 0.000 2.084 425 Q HA -0.148 4.218 4.340 0.044 0.000 0.202 425 Q C 2.089 178.082 176.000 -0.011 0.000 0.978 425 Q CA 2.290 58.082 55.803 -0.019 0.000 0.844 425 Q CB -0.598 28.124 28.738 -0.026 0.000 0.898 425 Q HN 0.570 nan 8.270 nan 0.000 0.426 426 A N 0.165 122.988 122.820 0.006 0.000 1.902 426 A HA -0.005 4.341 4.320 0.044 0.000 0.217 426 A C 2.251 179.841 177.584 0.010 0.000 1.181 426 A CA 1.822 53.863 52.037 0.006 0.000 0.623 426 A CB -1.050 17.959 19.000 0.014 0.000 0.818 426 A HN 0.536 nan 8.150 nan 0.000 0.443 427 A N -1.183 121.652 122.820 0.026 0.000 2.067 427 A HA 0.122 4.468 4.320 0.044 0.000 0.217 427 A C 2.127 179.723 177.584 0.019 0.000 1.156 427 A CA 1.589 53.645 52.037 0.032 0.000 0.683 427 A CB -0.305 18.730 19.000 0.059 0.000 0.808 427 A HN 0.402 nan 8.150 nan 0.000 0.455 428 S N -0.731 114.974 115.700 0.008 0.000 2.535 428 S HA 0.054 4.550 4.470 0.044 0.000 0.214 428 S C 1.421 176.008 174.600 -0.022 0.000 0.980 428 S CA 0.086 58.284 58.200 -0.003 0.000 0.907 428 S CB 0.080 63.275 63.200 -0.009 0.000 0.790 428 S HN 0.640 nan 8.310 nan 0.000 0.510 429 E N 2.065 122.250 120.200 -0.026 0.000 2.070 429 E HA -0.207 4.169 4.350 0.044 0.000 0.197 429 E C 2.196 178.777 176.600 -0.032 0.000 1.004 429 E CA 1.312 57.690 56.400 -0.038 0.000 0.805 429 E CB -0.188 29.492 29.700 -0.033 0.000 0.744 429 E HN 0.542 nan 8.360 nan 0.000 0.451 430 A N 0.781 123.590 122.820 -0.019 0.000 2.070 430 A HA -0.039 4.307 4.320 0.044 0.000 0.220 430 A C 2.186 179.761 177.584 -0.015 0.000 1.159 430 A CA 1.423 53.451 52.037 -0.016 0.000 0.656 430 A CB -0.267 18.728 19.000 -0.008 0.000 0.800 430 A HN 0.291 nan 8.150 nan 0.000 0.453 431 A N -1.987 120.824 122.820 -0.015 0.000 2.169 431 A HA 0.411 4.757 4.320 0.044 0.000 0.212 431 A C 1.731 179.303 177.584 -0.020 0.000 1.153 431 A CA 1.268 53.298 52.037 -0.012 0.000 0.756 431 A CB -0.616 18.382 19.000 -0.004 0.000 0.813 431 A HN 1.795 nan 8.150 nan 0.000 0.471 432 G N -1.240 107.540 108.800 -0.034 0.000 2.148 432 G HA2 -0.138 3.848 3.960 0.044 0.000 0.203 432 G HA3 -0.138 3.848 3.960 0.044 0.000 0.203 432 G C -0.115 174.744 174.900 -0.069 0.000 0.993 432 G CA -0.060 45.013 45.100 -0.046 0.000 0.661 432 G HN 0.242 nan 8.290 nan 0.000 0.518 433 I N 0.935 121.460 120.570 -0.074 0.000 2.416 433 I HA 0.395 4.592 4.170 0.044 0.000 0.288 433 I C 1.253 177.266 176.117 -0.173 0.000 1.051 433 I CA -0.177 61.058 61.300 -0.107 0.000 1.375 433 I CB 1.248 39.201 38.000 -0.078 0.000 1.407 433 I HN 0.029 nan 8.210 nan 0.000 0.516 434 R N 4.406 124.735 120.500 -0.285 0.000 2.419 434 R HA 0.205 4.572 4.340 0.044 0.000 0.235 434 R C -0.348 175.446 176.300 -0.843 0.000 0.899 434 R CA 0.143 55.935 56.100 -0.513 0.000 1.048 434 R CB 0.434 30.384 30.300 -0.584 0.000 1.182 434 R HN 0.568 nan 8.270 nan 0.000 0.544 435 H N -0.446 118.472 119.070 -0.253 0.000 2.966 435 H HA 0.297 4.877 4.556 0.039 0.000 0.347 435 H C -0.990 174.191 175.328 -0.246 0.000 1.048 435 H CA -0.578 55.288 56.048 -0.302 0.000 1.295 435 H CB 2.454 31.811 29.762 -0.675 0.000 1.744 435 H HN -0.297 nan 8.280 nan 0.000 0.513 436 V N 4.134 124.011 119.914 -0.062 0.000 2.311 436 V HA 0.160 4.306 4.120 0.044 0.000 0.275 436 V C 0.297 176.309 176.094 -0.137 0.000 1.022 436 V CA -0.723 61.514 62.300 -0.105 0.000 0.830 436 V CB 1.378 33.156 31.823 -0.075 0.000 1.012 436 V HN 0.433 nan 8.190 nan 0.000 0.452 437 V N 5.949 125.703 119.914 -0.267 0.000 2.364 437 V HA 0.337 4.483 4.120 0.044 0.000 0.272 437 V C -0.281 175.584 176.094 -0.381 0.000 1.036 437 V CA -0.364 61.681 62.300 -0.425 0.000 0.880 437 V CB 1.083 32.352 31.823 -0.924 0.000 0.991 437 V HN 0.710 nan 8.190 nan 0.000 0.460 438 F N 5.514 125.229 119.950 -0.391 0.000 2.371 438 F HA 0.453 5.006 4.527 0.042 0.000 0.363 438 F C 0.471 176.108 175.800 -0.273 0.000 1.122 438 F CA -0.184 57.580 58.000 -0.393 0.000 1.129 438 F CB 0.587 39.352 39.000 -0.391 0.000 1.173 438 F HN 0.471 nan 8.300 nan 0.000 0.489 439 N N 4.852 123.212 118.700 -0.567 0.000 2.546 439 N HA 0.293 5.059 4.740 0.044 0.000 0.238 439 N C 0.038 175.348 175.510 -0.334 0.000 0.984 439 N CA -0.080 52.869 53.050 -0.168 0.000 0.935 439 N CB 1.250 39.794 38.487 0.095 0.000 1.122 439 N HN 0.831 nan 8.380 nan 0.000 0.510 440 G N 1.164 109.884 108.800 -0.133 0.000 2.621 440 G HA2 0.241 4.227 3.960 0.044 0.000 0.271 440 G HA3 0.241 4.227 3.960 0.044 0.000 0.271 440 G C -0.614 174.300 174.900 0.023 0.000 1.236 440 G CA -0.144 44.856 45.100 -0.166 0.000 0.958 440 G HN 0.646 nan 8.290 nan 0.000 0.512 441 Y N -3.066 117.244 120.300 0.016 0.000 3.477 441 Y HA -0.104 4.472 4.550 0.043 0.000 0.216 441 Y C 0.874 176.771 175.900 -0.006 0.000 1.296 441 Y CA 0.388 58.486 58.100 -0.004 0.000 1.535 441 Y CB -2.031 36.396 38.460 -0.055 0.000 1.482 441 Y HN 0.883 nan 8.280 nan 0.000 0.597 442 A N -0.142 122.717 122.820 0.064 0.000 2.343 442 A HA 0.719 5.065 4.320 0.044 0.000 0.316 442 A C 0.888 178.480 177.584 0.013 0.000 1.104 442 A CA -0.024 52.033 52.037 0.034 0.000 0.768 442 A CB 0.802 19.796 19.000 -0.010 0.000 1.213 442 A HN 0.584 nan 8.150 nan 0.000 0.456 443 N N -0.681 118.033 118.700 0.022 0.000 2.927 443 N HA -0.284 4.482 4.740 0.044 0.000 0.220 443 N C 0.231 175.733 175.510 -0.013 0.000 0.845 443 N CA 1.576 54.587 53.050 -0.066 0.000 1.089 443 N CB -0.751 37.595 38.487 -0.235 0.000 0.994 443 N HN 1.678 nan 8.380 nan 0.000 0.616 444 A N -1.073 121.787 122.820 0.066 0.000 2.511 444 A HA 0.658 5.004 4.320 0.044 0.000 0.293 444 A C -2.243 175.435 177.584 0.157 0.000 1.098 444 A CA -0.434 51.699 52.037 0.159 0.000 0.643 444 A CB 0.879 19.967 19.000 0.147 0.000 1.302 444 A HN 0.287 nan 8.150 nan 0.000 0.446 445 Y N -0.076 120.253 120.300 0.049 0.000 2.332 445 Y HA 0.593 5.169 4.550 0.043 0.000 0.325 445 Y C -0.115 175.776 175.900 -0.015 0.000 1.054 445 Y CA 0.004 58.057 58.100 -0.079 0.000 1.119 445 Y CB 1.804 40.097 38.460 -0.278 0.000 1.168 445 Y HN 1.236 nan 8.280 nan 0.000 0.439 446 A N 4.367 126.865 122.820 -0.537 0.000 3.105 446 A HA 0.631 4.977 4.320 0.044 0.000 0.297 446 A C 0.589 177.915 177.584 -0.429 0.000 0.977 446 A CA 0.366 52.249 52.037 -0.256 0.000 1.020 446 A CB -0.553 18.452 19.000 0.009 0.000 1.098 446 A HN 0.962 nan 8.150 nan 0.000 0.497 447 S N -1.274 113.847 115.700 -0.966 0.000 3.762 447 S HA -0.238 4.259 4.470 0.044 0.000 0.627 447 S C -0.028 174.256 174.600 -0.527 0.000 2.389 447 S CA 1.468 59.349 58.200 -0.531 0.000 3.978 447 S CB -1.061 62.169 63.200 0.050 0.000 0.234 447 S HN 0.785 nan 8.310 nan 0.000 0.960 448 Y N 0.608 120.792 120.300 -0.194 0.000 2.419 448 Y HA 0.639 5.215 4.550 0.044 0.000 0.328 448 Y C 0.285 176.027 175.900 -0.264 0.000 1.162 448 Y CA -0.707 57.273 58.100 -0.201 0.000 1.174 448 Y CB 1.257 39.668 38.460 -0.080 0.000 1.228 448 Y HN 0.414 nan 8.280 nan 0.000 0.473 449 V N 1.920 121.676 119.914 -0.263 0.000 2.444 449 V HA 0.479 4.625 4.120 0.044 0.000 0.294 449 V C -0.283 175.747 176.094 -0.107 0.000 1.022 449 V CA -0.616 61.477 62.300 -0.344 0.000 0.850 449 V CB 1.697 32.846 31.823 -1.125 0.000 0.992 449 V HN 0.845 nan 8.190 nan 0.000 0.426 450 T N 2.781 117.348 114.554 0.022 0.000 2.907 450 T HA 0.576 4.953 4.350 0.044 0.000 0.292 450 T C 0.152 174.894 174.700 0.071 0.000 1.043 450 T CA -0.220 61.923 62.100 0.073 0.000 1.003 450 T CB 1.646 70.581 68.868 0.111 0.000 1.084 450 T HN 0.952 nan 8.240 nan 0.000 0.483 451 T N 1.250 115.842 114.554 0.062 0.000 2.813 451 T HA 0.258 4.635 4.350 0.044 0.000 0.297 451 T C 1.410 176.113 174.700 0.006 0.000 1.036 451 T CA -0.515 61.612 62.100 0.046 0.000 1.044 451 T CB 0.702 69.591 68.868 0.035 0.000 0.993 451 T HN 0.558 nan 8.240 nan 0.000 0.535 452 R N 1.102 121.564 120.500 -0.063 0.000 2.113 452 R HA -0.165 4.201 4.340 0.044 0.000 0.244 452 R C 2.089 178.337 176.300 -0.086 0.000 1.142 452 R CA 2.223 58.185 56.100 -0.230 0.000 0.953 452 R CB -1.070 29.018 30.300 -0.353 0.000 0.860 452 R HN 0.892 nan 8.270 nan 0.000 0.438 453 E N 0.131 120.315 120.200 -0.028 0.000 2.077 453 E HA -0.167 4.209 4.350 0.044 0.000 0.193 453 E C 1.958 178.563 176.600 0.008 0.000 0.989 453 E CA 1.854 58.250 56.400 -0.007 0.000 0.800 453 E CB -0.116 29.581 29.700 -0.004 0.000 0.746 453 E HN 0.549 nan 8.360 nan 0.000 0.452 454 E N -0.329 119.884 120.200 0.022 0.000 2.106 454 E HA -0.201 4.175 4.350 0.044 0.000 0.192 454 E C 1.801 178.417 176.600 0.027 0.000 0.984 454 E CA 0.868 57.284 56.400 0.027 0.000 0.806 454 E CB -0.213 29.515 29.700 0.046 0.000 0.750 454 E HN 0.329 nan 8.360 nan 0.000 0.458 455 Y N 1.358 121.605 120.300 -0.088 0.000 2.224 455 Y HA -0.220 4.357 4.550 0.044 0.000 0.289 455 Y C 2.266 178.100 175.900 -0.110 0.000 1.146 455 Y CA 1.303 59.336 58.100 -0.112 0.000 1.182 455 Y CB -0.162 38.200 38.460 -0.163 0.000 0.983 455 Y HN 0.004 nan 8.280 nan 0.000 0.524 456 A N 0.130 122.979 122.820 0.048 0.000 2.019 456 A HA -0.090 4.256 4.320 0.044 0.000 0.219 456 A C 2.267 179.804 177.584 -0.077 0.000 1.164 456 A CA 1.594 53.624 52.037 -0.011 0.000 0.644 456 A CB -1.220 17.782 19.000 0.003 0.000 0.805 456 A HN 0.563 nan 8.150 nan 0.000 0.449 457 A N -2.340 120.434 122.820 -0.075 0.000 2.123 457 A HA 0.153 4.500 4.320 0.044 0.000 0.214 457 A C 0.981 178.496 177.584 -0.115 0.000 1.152 457 A CA 0.784 52.778 52.037 -0.072 0.000 0.728 457 A CB -0.152 18.825 19.000 -0.038 0.000 0.814 457 A HN 0.391 nan 8.150 nan 0.000 0.464 458 Q N 0.306 119.986 119.800 -0.200 0.000 2.435 458 Q HA -0.190 4.176 4.340 0.044 0.000 0.312 458 Q C -0.207 175.699 176.000 -0.156 0.000 1.333 458 Q CA 1.106 56.756 55.803 -0.254 0.000 0.883 458 Q CB -1.653 26.926 28.738 -0.265 0.000 1.170 458 Q HN 0.863 nan 8.270 nan 0.000 0.443 459 E N -1.229 118.906 120.200 -0.109 0.000 2.622 459 E HA 0.056 4.432 4.350 0.044 0.000 0.255 459 E C 0.896 177.457 176.600 -0.064 0.000 1.313 459 E CA -0.418 55.954 56.400 -0.048 0.000 1.011 459 E CB 0.138 29.834 29.700 -0.008 0.000 1.173 459 E HN 0.247 nan 8.360 nan 0.000 0.601 460 Y N 1.382 121.606 120.300 -0.127 0.000 2.062 460 Y HA -0.335 4.241 4.550 0.043 0.000 0.276 460 Y C 1.854 177.592 175.900 -0.270 0.000 1.189 460 Y CA 2.511 60.509 58.100 -0.170 0.000 1.130 460 Y CB -0.047 38.313 38.460 -0.166 0.000 0.959 460 Y HN 0.524 nan 8.280 nan 0.000 0.499 461 E N -0.419 119.590 120.200 -0.319 0.000 2.153 461 E HA -0.078 4.299 4.350 0.044 0.000 0.194 461 E C 2.440 178.878 176.600 -0.269 0.000 0.988 461 E CA 1.162 57.288 56.400 -0.457 0.000 0.811 461 E CB -0.832 28.793 29.700 -0.124 0.000 0.746 461 E HN 0.619 nan 8.360 nan 0.000 0.466 462 G N 0.305 108.977 108.800 -0.213 0.000 2.404 462 G HA2 -0.191 3.795 3.960 0.044 0.000 0.215 462 G HA3 -0.191 3.795 3.960 0.044 0.000 0.215 462 G C 1.675 176.384 174.900 -0.319 0.000 1.174 462 G CA 0.606 45.567 45.100 -0.232 0.000 0.780 462 G HN 0.425 nan 8.290 nan 0.000 0.537 463 G N 0.158 108.759 108.800 -0.332 0.000 2.479 463 G HA2 -0.047 3.939 3.960 0.044 0.000 0.220 463 G HA3 -0.047 3.939 3.960 0.044 0.000 0.220 463 G C 1.597 176.356 174.900 -0.235 0.000 1.115 463 G CA 1.245 46.174 45.100 -0.285 0.000 0.757 463 G HN 0.420 nan 8.290 nan 0.000 0.560 464 S N 0.057 115.581 115.700 -0.293 0.000 2.582 464 S HA 0.170 4.666 4.470 0.044 0.000 0.234 464 S C 0.468 175.061 174.600 -0.013 0.000 0.961 464 S CA -0.231 57.873 58.200 -0.160 0.000 0.953 464 S CB 0.583 63.638 63.200 -0.241 0.000 0.800 464 S HN 0.168 nan 8.310 nan 0.000 0.471 465 T N 3.493 118.056 114.554 0.015 0.000 3.162 465 T HA 0.303 4.679 4.350 0.044 0.000 0.316 465 T C 1.483 176.208 174.700 0.042 0.000 1.182 465 T CA -0.189 61.968 62.100 0.096 0.000 1.015 465 T CB 0.078 69.095 68.868 0.250 0.000 1.089 465 T HN 0.232 nan 8.240 nan 0.000 0.646 466 L N 1.684 122.811 121.223 -0.159 0.000 2.010 466 L HA -0.201 4.165 4.340 0.044 0.000 0.219 466 L C 1.464 178.065 176.870 -0.448 0.000 1.077 466 L CA 1.835 56.413 54.840 -0.437 0.000 0.773 466 L CB -0.603 40.908 42.059 -0.913 0.000 0.892 466 L HN 0.668 nan 8.230 nan 0.000 0.436 467 Y N 0.057 120.415 120.300 0.097 0.000 2.470 467 Y HA 0.414 4.991 4.550 0.044 0.000 0.302 467 Y C 1.294 177.196 175.900 0.005 0.000 1.194 467 Y CA 0.195 58.340 58.100 0.075 0.000 1.271 467 Y CB -0.652 37.890 38.460 0.138 0.000 1.092 467 Y HN 0.282 nan 8.280 nan 0.000 0.513 468 G N 0.572 109.383 108.800 0.018 0.000 2.592 468 G HA2 -0.182 3.804 3.960 0.044 0.000 0.684 468 G HA3 -0.182 3.804 3.960 0.044 0.000 0.684 468 G C -1.974 172.434 174.900 -0.819 0.000 1.291 468 G CA -0.559 44.422 45.100 -0.198 0.000 0.891 468 G HN -0.002 nan 8.290 nan 0.000 0.544 469 P HA -0.073 nan 4.420 nan 0.000 0.221 469 P C 0.842 177.461 177.300 -1.137 0.000 1.145 469 P CA 1.862 63.914 63.100 -1.746 0.000 0.795 469 P CB -0.012 30.901 31.700 -1.312 0.000 0.775 470 W N -0.255 120.877 121.300 -0.279 0.000 3.194 470 W HA 0.220 4.906 4.660 0.043 0.000 0.408 470 W C 1.704 178.177 176.519 -0.075 0.000 1.072 470 W CA -0.215 57.054 57.345 -0.127 0.000 1.953 470 W CB -0.549 28.855 29.460 -0.094 0.000 1.091 470 W HN -0.169 nan 8.180 nan 0.000 0.699 471 T N 0.070 114.659 114.554 0.058 0.000 2.746 471 T HA -0.256 4.121 4.350 0.044 0.000 0.267 471 T C 2.007 176.887 174.700 0.300 0.000 1.039 471 T CA 1.351 63.562 62.100 0.184 0.000 1.142 471 T CB -0.089 68.933 68.868 0.256 0.000 0.866 471 T HN 0.137 nan 8.240 nan 0.000 0.444 472 Q N 1.046 120.995 119.800 0.248 0.000 2.050 472 Q HA -0.050 4.316 4.340 0.044 0.000 0.202 472 Q C 2.545 178.737 176.000 0.320 0.000 0.980 472 Q CA 1.833 57.827 55.803 0.318 0.000 0.840 472 Q CB -0.514 28.343 28.738 0.198 0.000 0.898 472 Q HN 0.519 nan 8.270 nan 0.000 0.424 473 A N 0.781 123.775 122.820 0.289 0.000 1.933 473 A HA -0.104 4.242 4.320 0.044 0.000 0.218 473 A C 2.326 179.928 177.584 0.031 0.000 1.175 473 A CA 2.035 54.230 52.037 0.263 0.000 0.628 473 A CB -0.824 18.418 19.000 0.403 0.000 0.814 473 A HN 0.498 nan 8.150 nan 0.000 0.444 474 A N -1.315 121.495 122.820 -0.017 0.000 1.877 474 A HA -0.095 4.251 4.320 0.044 0.000 0.216 474 A C 2.093 179.519 177.584 -0.263 0.000 1.186 474 A CA 1.628 53.501 52.037 -0.274 0.000 0.620 474 A CB -0.864 17.862 19.000 -0.457 0.000 0.822 474 A HN 0.556 nan 8.150 nan 0.000 0.443 475 Y N -0.276 120.023 120.300 -0.001 0.000 2.181 475 Y HA -0.238 4.339 4.550 0.044 0.000 0.288 475 Y C 2.723 178.731 175.900 0.179 0.000 1.146 475 Y CA 1.921 60.127 58.100 0.177 0.000 1.164 475 Y CB -0.470 38.309 38.460 0.531 0.000 0.982 475 Y HN 0.501 nan 8.280 nan 0.000 0.515 476 Q N 0.026 119.992 119.800 0.278 0.000 2.124 476 Q HA -0.276 4.090 4.340 0.044 0.000 0.202 476 Q C 2.329 178.232 176.000 -0.162 0.000 0.977 476 Q CA 1.717 57.626 55.803 0.175 0.000 0.850 476 Q CB -0.118 28.755 28.738 0.225 0.000 0.901 476 Q HN 0.582 nan 8.270 nan 0.000 0.429 477 Q N -0.103 119.310 119.800 -0.645 0.000 2.079 477 Q HA -0.148 4.218 4.340 0.044 0.000 0.200 477 Q C 2.073 177.816 176.000 -0.430 0.000 0.974 477 Q CA 1.091 56.252 55.803 -1.070 0.000 0.840 477 Q CB 0.007 28.059 28.738 -1.143 0.000 0.898 477 Q HN 0.462 nan 8.270 nan 0.000 0.430 478 L N -0.441 120.589 121.223 -0.322 0.000 2.046 478 L HA -0.156 4.210 4.340 0.044 0.000 0.208 478 L C 2.180 178.905 176.870 -0.242 0.000 1.077 478 L CA 1.028 55.685 54.840 -0.305 0.000 0.747 478 L CB -0.396 41.426 42.059 -0.395 0.000 0.896 478 L HN 0.216 nan 8.230 nan 0.000 0.432 479 F N -0.975 118.961 119.950 -0.024 0.000 2.259 479 F HA -0.127 4.427 4.527 0.045 0.000 0.298 479 F C 2.303 178.107 175.800 0.007 0.000 1.088 479 F CA 0.805 58.809 58.000 0.005 0.000 1.358 479 F CB -0.621 38.408 39.000 0.048 0.000 1.040 479 F HN -0.234 nan 8.300 nan 0.000 0.505 480 V N -0.123 119.896 119.914 0.174 0.000 2.307 480 V HA -0.263 3.884 4.120 0.044 0.000 0.245 480 V C 1.932 178.086 176.094 0.100 0.000 1.045 480 V CA 2.035 64.430 62.300 0.157 0.000 1.024 480 V CB -0.488 31.478 31.823 0.238 0.000 0.651 480 V HN 0.160 nan 8.190 nan 0.000 0.449 481 D N -0.633 119.790 120.400 0.039 0.000 2.182 481 D HA -0.212 4.454 4.640 0.044 0.000 0.201 481 D C 1.979 178.288 176.300 0.014 0.000 0.986 481 D CA 1.440 55.450 54.000 0.015 0.000 0.847 481 D CB -0.238 40.538 40.800 -0.040 0.000 0.942 481 D HN 0.389 nan 8.370 nan 0.000 0.467 482 M N 0.021 119.627 119.600 0.009 0.000 2.200 482 M HA -0.070 4.436 4.480 0.044 0.000 0.265 482 M C 1.929 178.267 176.300 0.064 0.000 1.066 482 M CA 1.249 56.562 55.300 0.023 0.000 1.127 482 M CB 0.176 32.780 32.600 0.007 0.000 1.379 482 M HN 0.005 nan 8.290 nan 0.000 0.420 483 A N -0.107 122.767 122.820 0.089 0.000 1.898 483 A HA -0.120 4.226 4.320 0.044 0.000 0.216 483 A C 2.044 179.663 177.584 0.058 0.000 1.181 483 A CA 1.829 53.915 52.037 0.081 0.000 0.620 483 A CB -1.350 17.704 19.000 0.091 0.000 0.819 483 A HN 0.556 nan 8.150 nan 0.000 0.442 484 V N -2.334 117.613 119.914 0.056 0.000 2.515 484 V HA -0.044 4.102 4.120 0.044 0.000 0.250 484 V C 2.500 178.615 176.094 0.035 0.000 1.058 484 V CA 1.773 64.099 62.300 0.043 0.000 1.064 484 V CB -1.498 30.352 31.823 0.045 0.000 0.675 484 V HN 0.496 nan 8.190 nan 0.000 0.461 485 A N 0.661 123.502 122.820 0.035 0.000 1.902 485 A HA -0.041 4.305 4.320 0.044 0.000 0.217 485 A C 2.269 179.874 177.584 0.036 0.000 1.181 485 A CA 2.137 54.193 52.037 0.031 0.000 0.623 485 A CB -0.661 18.356 19.000 0.029 0.000 0.818 485 A HN 0.566 nan 8.150 nan 0.000 0.443 486 L N -1.148 120.101 121.223 0.043 0.000 2.017 486 L HA -0.178 4.189 4.340 0.044 0.000 0.208 486 L C 2.825 179.714 176.870 0.032 0.000 1.073 486 L CA 1.765 56.631 54.840 0.044 0.000 0.745 486 L CB -0.407 41.685 42.059 0.055 0.000 0.894 486 L HN 0.469 nan 8.230 nan 0.000 0.432 487 R N 0.073 120.590 120.500 0.029 0.000 2.091 487 R HA -0.173 4.194 4.340 0.044 0.000 0.238 487 R C 1.729 178.039 176.300 0.017 0.000 1.136 487 R CA 1.481 57.593 56.100 0.020 0.000 0.959 487 R CB 0.016 30.327 30.300 0.019 0.000 0.856 487 R HN 0.318 nan 8.270 nan 0.000 0.437 488 E N 0.534 120.745 120.200 0.019 0.000 2.489 488 E HA -0.008 4.368 4.350 0.044 0.000 0.193 488 E C -0.123 176.487 176.600 0.017 0.000 1.057 488 E CA 0.050 56.459 56.400 0.016 0.000 0.866 488 E CB 0.215 29.925 29.700 0.016 0.000 0.916 488 E HN 0.269 nan 8.360 nan 0.000 0.500 489 R N 0.219 120.731 120.500 0.021 0.000 3.336 489 R HA -0.172 4.195 4.340 0.044 0.000 0.260 489 R C -0.412 175.901 176.300 0.022 0.000 1.032 489 R CA 0.430 56.543 56.100 0.021 0.000 0.693 489 R CB -2.403 27.907 30.300 0.017 0.000 1.134 489 R HN 0.148 nan 8.270 nan 0.000 0.433 490 L N 0.578 121.815 121.223 0.025 0.000 2.323 490 L HA 0.634 5.000 4.340 0.044 0.000 0.265 490 L C -1.734 175.154 176.870 0.030 0.000 1.012 490 L CA -2.398 52.456 54.840 0.024 0.000 0.820 490 L CB 1.770 43.841 42.059 0.020 0.000 1.334 490 L HN -0.126 nan 8.230 nan 0.000 0.427 491 P HA 0.092 nan 4.420 nan 0.000 0.274 491 P C -0.494 176.825 177.300 0.033 0.000 1.231 491 P CA -0.177 62.945 63.100 0.038 0.000 0.790 491 P CB 1.658 33.381 31.700 0.038 0.000 0.951 492 V N 2.185 122.121 119.914 0.037 0.000 3.170 492 V HA 0.094 4.240 4.120 0.044 0.000 0.309 492 V C 0.951 177.056 176.094 0.018 0.000 1.071 492 V CA -0.562 61.750 62.300 0.019 0.000 1.063 492 V CB 0.847 32.677 31.823 0.012 0.000 1.123 492 V HN 0.678 nan 8.190 nan 0.000 0.464 493 E N 1.528 121.728 120.200 0.001 0.000 2.415 493 E HA -0.021 4.355 4.350 0.044 0.000 0.262 493 E C 0.023 176.638 176.600 0.026 0.000 1.038 493 E CA -0.145 56.259 56.400 0.007 0.000 0.921 493 E CB -0.048 29.645 29.700 -0.010 0.000 0.950 493 E HN 0.539 nan 8.360 nan 0.000 0.438 494 T N 2.175 116.752 114.554 0.038 0.000 2.849 494 T HA -0.022 4.354 4.350 0.044 0.000 0.289 494 T C 0.001 174.748 174.700 0.078 0.000 1.010 494 T CA 0.317 62.454 62.100 0.062 0.000 1.161 494 T CB -0.003 68.897 68.868 0.053 0.000 0.989 494 T HN 0.414 nan 8.240 nan 0.000 0.523 495 S N 3.226 119.002 115.700 0.126 0.000 2.562 495 S HA 0.458 4.955 4.470 0.044 0.000 0.281 495 S C 0.605 175.313 174.600 0.181 0.000 1.333 495 S CA -0.567 57.744 58.200 0.183 0.000 1.052 495 S CB 0.625 64.017 63.200 0.320 0.000 0.884 495 S HN 0.923 nan 8.310 nan 0.000 0.506 496 A N 3.424 126.354 122.820 0.182 0.000 2.280 496 A HA 0.550 4.896 4.320 0.044 0.000 0.268 496 A C 0.032 177.687 177.584 0.118 0.000 1.111 496 A CA -0.500 51.612 52.037 0.124 0.000 0.814 496 A CB 0.127 19.184 19.000 0.096 0.000 1.093 496 A HN 0.680 nan 8.150 nan 0.000 0.498 497 I N 0.811 121.404 120.570 0.038 0.000 2.342 497 I HA 0.356 4.552 4.170 0.044 0.000 0.291 497 I C 0.824 176.848 176.117 -0.156 0.000 1.010 497 I CA -0.136 61.144 61.300 -0.033 0.000 1.308 497 I CB 0.518 38.519 38.000 0.003 0.000 1.400 497 I HN 0.634 nan 8.210 nan 0.000 0.488 498 A N 8.937 131.518 122.820 -0.399 0.000 2.354 498 A HA 0.566 4.912 4.320 0.044 0.000 0.281 498 A C -2.172 175.312 177.584 -0.167 0.000 1.174 498 A CA -1.126 50.636 52.037 -0.457 0.000 0.828 498 A CB -0.508 17.894 19.000 -0.997 0.000 1.099 498 A HN 0.494 nan 8.150 nan 0.000 0.516 499 P HA 0.063 nan 4.420 nan 0.000 0.264 499 P C -0.710 176.570 177.300 -0.033 0.000 1.193 499 P CA 0.221 63.321 63.100 -0.000 0.000 0.763 499 P CB 0.513 32.255 31.700 0.069 0.000 0.810 500 D N 3.197 123.573 120.400 -0.040 0.000 2.396 500 D HA 0.112 4.778 4.640 0.044 0.000 0.225 500 D C 0.292 176.501 176.300 -0.151 0.000 1.121 500 D CA -0.123 53.849 54.000 -0.047 0.000 0.853 500 D CB 0.347 41.137 40.800 -0.017 0.000 1.043 500 D HN 0.253 nan 8.370 nan 0.000 0.500 501 L N 2.868 123.945 121.223 -0.243 0.000 2.741 501 L HA 0.105 4.471 4.340 0.044 0.000 0.237 501 L C 2.038 178.485 176.870 -0.704 0.000 1.178 501 L CA -0.254 54.268 54.840 -0.530 0.000 0.973 501 L CB 0.045 41.664 42.059 -0.734 0.000 1.255 501 L HN 0.275 nan 8.230 nan 0.000 0.498 502 S N 0.570 115.973 115.700 -0.495 0.000 2.402 502 S HA -0.220 4.276 4.470 0.044 0.000 0.233 502 S C 2.226 176.566 174.600 -0.434 0.000 1.030 502 S CA 1.938 59.826 58.200 -0.519 0.000 1.003 502 S CB -0.180 62.931 63.200 -0.148 0.000 0.813 502 S HN 0.790 nan 8.310 nan 0.000 0.477 503 C N -0.015 119.109 119.300 -0.294 0.000 2.446 503 C HA 0.103 4.589 4.460 0.044 0.000 0.277 503 C C 1.634 176.509 174.990 -0.192 0.000 1.275 503 C CA -0.275 58.631 59.018 -0.186 0.000 1.727 503 C CB -1.723 25.959 27.740 -0.097 0.000 2.010 503 C HN 0.579 nan 8.230 nan 0.000 0.486 504 C N 2.181 121.331 119.300 -0.249 0.000 2.626 504 C HA 0.421 4.907 4.460 0.044 0.000 0.356 504 C C -0.257 174.590 174.990 -0.239 0.000 1.398 504 C CA -0.365 58.554 59.018 -0.166 0.000 1.678 504 C CB -1.641 26.095 27.740 -0.006 0.000 2.430 504 C HN 0.559 nan 8.230 nan 0.000 0.561 505 Q N 1.307 120.913 119.800 -0.323 0.000 2.290 505 Q HA 0.557 4.923 4.340 0.044 0.000 0.259 505 Q C -0.260 175.678 176.000 -0.103 0.000 0.941 505 Q CA 0.268 55.878 55.803 -0.322 0.000 0.912 505 Q CB 1.803 30.128 28.738 -0.689 0.000 1.244 505 Q HN 0.642 nan 8.270 nan 0.000 0.441 506 M N 1.822 121.428 119.600 0.010 0.000 2.573 506 M HA 0.412 4.919 4.480 0.044 0.000 0.309 506 M C -0.115 176.130 176.300 -0.091 0.000 1.202 506 M CA -0.713 54.613 55.300 0.044 0.000 0.975 506 M CB 1.324 34.132 32.600 0.346 0.000 1.600 506 M HN 0.450 nan 8.290 nan 0.000 0.479 507 N N 0.378 118.956 118.700 -0.203 0.000 2.503 507 N HA 0.335 5.101 4.740 0.044 0.000 0.287 507 N C -1.543 173.755 175.510 -0.353 0.000 1.096 507 N CA -0.294 52.614 53.050 -0.237 0.000 0.936 507 N CB 0.870 39.257 38.487 -0.167 0.000 1.570 507 N HN 0.485 nan 8.380 nan 0.000 0.504 508 F N 0.382 120.256 119.950 -0.127 0.000 2.661 508 F HA 0.339 4.892 4.527 0.044 0.000 0.306 508 F C 0.758 176.536 175.800 -0.037 0.000 1.094 508 F CA -0.306 57.675 58.000 -0.032 0.000 1.254 508 F CB 0.445 39.472 39.000 0.046 0.000 1.040 508 F HN 0.430 nan 8.300 nan 0.000 0.562 509 Q N 1.511 121.330 119.800 0.030 0.000 2.294 509 Q HA 0.256 4.622 4.340 0.044 0.000 0.257 509 Q C -0.028 175.954 176.000 -0.029 0.000 0.955 509 Q CA -0.027 55.781 55.803 0.009 0.000 0.936 509 Q CB 0.777 29.500 28.738 -0.025 0.000 1.188 509 Q HN 0.110 nan 8.270 nan 0.000 0.420 510 T N 2.980 117.528 114.554 -0.010 0.000 2.900 510 T HA 0.478 4.855 4.350 0.044 0.000 0.307 510 T C 0.470 175.124 174.700 -0.077 0.000 1.065 510 T CA 0.087 62.166 62.100 -0.034 0.000 1.105 510 T CB 0.890 69.754 68.868 -0.006 0.000 0.979 510 T HN 0.770 nan 8.240 nan 0.000 0.544 511 G N 0.424 109.163 108.800 -0.101 0.000 2.695 511 G HA2 0.508 4.494 3.960 0.044 0.000 0.213 511 G HA3 0.508 4.494 3.960 0.044 0.000 0.213 511 G C -0.549 174.227 174.900 -0.207 0.000 1.406 511 G CA -0.684 44.319 45.100 -0.163 0.000 1.049 511 G HN 0.656 nan 8.290 nan 0.000 0.573 512 V N 0.734 120.499 119.914 -0.249 0.000 2.432 512 V HA 0.161 4.307 4.120 0.044 0.000 0.271 512 V C 1.180 177.232 176.094 -0.070 0.000 1.046 512 V CA -0.372 61.791 62.300 -0.228 0.000 0.945 512 V CB 1.049 32.723 31.823 -0.247 0.000 0.992 512 V HN 0.423 nan 8.190 nan 0.000 0.471 513 V N 3.850 123.761 119.914 -0.005 0.000 2.331 513 V HA 0.361 4.507 4.120 0.044 0.000 0.242 513 V C 0.857 177.030 176.094 0.132 0.000 1.034 513 V CA 1.623 63.962 62.300 0.066 0.000 1.027 513 V CB 0.024 31.879 31.823 0.053 0.000 0.667 513 V HN 1.002 nan 8.190 nan 0.000 0.457 514 A N -1.143 121.737 122.820 0.099 0.000 2.590 514 A HA 0.561 4.907 4.320 0.044 0.000 0.294 514 A C -2.035 175.635 177.584 0.144 0.000 1.046 514 A CA -0.671 51.439 52.037 0.121 0.000 0.684 514 A CB 1.108 20.162 19.000 0.089 0.000 1.279 514 A HN 0.167 nan 8.150 nan 0.000 0.415 515 D N 0.946 121.464 120.400 0.196 0.000 2.350 515 D HA 0.614 5.280 4.640 0.044 0.000 0.245 515 D C -1.404 175.162 176.300 0.444 0.000 1.036 515 D CA -0.014 54.174 54.000 0.314 0.000 0.848 515 D CB 2.043 43.001 40.800 0.263 0.000 1.307 515 D HN 0.511 nan 8.370 nan 0.000 0.469 516 D N 0.797 121.459 120.400 0.437 0.000 2.732 516 D HA 0.355 5.022 4.640 0.044 0.000 0.229 516 D C -2.478 173.855 176.300 0.054 0.000 1.152 516 D CA -1.307 52.846 54.000 0.255 0.000 0.854 516 D CB 3.117 43.980 40.800 0.104 0.000 1.590 516 D HN -0.079 nan 8.370 nan 0.000 0.468 517 P HA 0.157 nan 4.420 nan 0.000 0.279 517 P C -0.373 176.896 177.300 -0.052 0.000 1.282 517 P CA -0.199 62.598 63.100 -0.504 0.000 0.788 517 P CB 0.581 31.838 31.700 -0.737 0.000 1.139 518 Y N -0.255 119.968 120.300 -0.128 0.000 2.550 518 Y HA -0.006 4.570 4.550 0.044 0.000 0.343 518 Y C 1.165 177.019 175.900 -0.077 0.000 1.245 518 Y CA -0.367 57.691 58.100 -0.070 0.000 1.462 518 Y CB 0.117 38.547 38.460 -0.050 0.000 1.340 518 Y HN 0.105 nan 8.280 nan 0.000 0.604 519 I N 2.956 123.563 120.570 0.062 0.000 2.742 519 I HA -0.087 4.109 4.170 0.044 0.000 0.287 519 I C 1.258 177.401 176.117 0.043 0.000 1.186 519 I CA 1.089 62.405 61.300 0.027 0.000 1.417 519 I CB -0.542 37.461 38.000 0.006 0.000 1.377 519 I HN 0.977 nan 8.210 nan 0.000 0.556 520 G N 5.376 114.187 108.800 0.018 0.000 2.176 520 G HA2 -0.217 3.769 3.960 0.044 0.000 0.253 520 G HA3 -0.217 3.769 3.960 0.044 0.000 0.253 520 G C 0.473 175.376 174.900 0.006 0.000 0.979 520 G CA -0.074 45.033 45.100 0.013 0.000 0.641 520 G HN 0.506 nan 8.290 nan 0.000 0.530 521 K N 0.102 120.504 120.400 0.003 0.000 2.316 521 K HA 0.833 5.179 4.320 0.044 0.000 0.234 521 K C 0.243 176.803 176.600 -0.067 0.000 1.054 521 K CA 0.092 56.368 56.287 -0.018 0.000 0.879 521 K CB 1.595 34.089 32.500 -0.010 0.000 1.252 521 K HN 0.675 nan 8.250 nan 0.000 0.471 522 S N -0.447 115.216 115.700 -0.063 0.000 2.599 522 S HA 0.611 5.108 4.470 0.044 0.000 0.287 522 S C -0.461 174.117 174.600 -0.036 0.000 1.105 522 S CA -0.839 57.302 58.200 -0.099 0.000 0.899 522 S CB 0.472 63.676 63.200 0.006 0.000 1.100 522 S HN 0.269 nan 8.310 nan 0.000 0.482 523 F N 1.668 121.700 119.950 0.137 0.000 2.602 523 F HA 0.436 4.989 4.527 0.044 0.000 0.367 523 F C 1.935 177.832 175.800 0.160 0.000 1.126 523 F CA 1.549 59.647 58.000 0.164 0.000 1.321 523 F CB -0.232 38.864 39.000 0.159 0.000 1.094 523 F HN 1.157 nan 8.300 nan 0.000 0.594 524 G N 1.400 110.454 108.800 0.423 0.000 2.217 524 G HA2 -0.275 3.711 3.960 0.044 0.000 0.246 524 G HA3 -0.275 3.711 3.960 0.044 0.000 0.246 524 G C -0.056 175.072 174.900 0.380 0.000 0.990 524 G CA -0.113 45.205 45.100 0.364 0.000 0.627 524 G HN 0.604 nan 8.290 nan 0.000 0.522 525 D N 0.294 120.838 120.400 0.240 0.000 2.423 525 D HA 0.417 5.083 4.640 0.044 0.000 0.238 525 D C 0.713 177.049 176.300 0.061 0.000 1.142 525 D CA 0.111 54.182 54.000 0.119 0.000 0.884 525 D CB 1.412 42.223 40.800 0.018 0.000 1.199 525 D HN 0.206 nan 8.370 nan 0.000 0.438 526 V N 4.058 123.927 119.914 -0.075 0.000 2.389 526 V HA 0.062 4.208 4.120 0.044 0.000 0.264 526 V C 1.357 177.282 176.094 -0.282 0.000 1.049 526 V CA -0.160 61.941 62.300 -0.331 0.000 0.932 526 V CB 0.755 32.383 31.823 -0.326 0.000 1.011 526 V HN 0.496 nan 8.190 nan 0.000 0.475 527 L N 3.040 124.062 121.223 -0.334 0.000 2.240 527 L HA 0.150 4.516 4.340 0.044 0.000 0.211 527 L C 1.134 177.868 176.870 -0.228 0.000 1.106 527 L CA 0.991 55.655 54.840 -0.293 0.000 0.793 527 L CB 0.069 41.913 42.059 -0.358 0.000 0.927 527 L HN 0.664 nan 8.230 nan 0.000 0.446 528 Q N 0.438 120.084 119.800 -0.257 0.000 2.295 528 Q HA 0.214 4.581 4.340 0.044 0.000 0.259 528 Q C -1.133 174.750 176.000 -0.195 0.000 0.966 528 Q CA -0.493 55.198 55.803 -0.186 0.000 0.763 528 Q CB 1.485 30.133 28.738 -0.149 0.000 1.283 528 Q HN 0.079 nan 8.270 nan 0.000 0.445 529 Q N 3.513 123.236 119.800 -0.129 0.000 2.306 529 Q HA 0.426 4.792 4.340 0.044 0.000 0.241 529 Q C -2.124 173.856 176.000 -0.033 0.000 0.948 529 Q CA -1.514 54.242 55.803 -0.079 0.000 0.886 529 Q CB 1.007 29.726 28.738 -0.033 0.000 1.227 529 Q HN 0.545 nan 8.270 nan 0.000 0.457 530 P HA 0.145 nan 4.420 nan 0.000 0.274 530 P C -0.348 177.009 177.300 0.096 0.000 1.246 530 P CA -0.215 62.907 63.100 0.038 0.000 0.795 530 P CB 1.003 32.625 31.700 -0.130 0.000 1.006 531 R N 0.312 120.854 120.500 0.071 0.000 2.801 531 R HA 0.045 4.412 4.340 0.044 0.000 0.273 531 R C 1.639 177.897 176.300 -0.069 0.000 1.080 531 R CA -0.294 55.715 56.100 -0.152 0.000 1.197 531 R CB 0.036 30.039 30.300 -0.496 0.000 1.109 531 R HN 0.585 nan 8.270 nan 0.000 0.535 532 E N 0.547 120.701 120.200 -0.076 0.000 2.058 532 E HA -0.160 4.216 4.350 0.044 0.000 0.194 532 E C -0.167 176.463 176.600 0.049 0.000 0.997 532 E CA 1.508 57.919 56.400 0.019 0.000 0.801 532 E CB 0.244 29.941 29.700 -0.005 0.000 0.746 532 E HN 0.588 nan 8.360 nan 0.000 0.450 533 S N -2.125 113.511 115.700 -0.107 0.000 2.570 533 S HA 0.544 5.041 4.470 0.044 0.000 0.270 533 S C -1.236 173.213 174.600 -0.253 0.000 1.149 533 S CA -1.041 57.147 58.200 -0.021 0.000 0.837 533 S CB 1.138 64.340 63.200 0.003 0.000 1.124 533 S HN 0.161 nan 8.310 nan 0.000 0.465 534 Y N -0.267 120.099 120.300 0.110 0.000 2.581 534 Y HA 0.668 5.244 4.550 0.044 0.000 0.345 534 Y C 0.392 176.301 175.900 0.015 0.000 1.036 534 Y CA -1.079 57.048 58.100 0.045 0.000 1.042 534 Y CB 1.863 40.348 38.460 0.041 0.000 1.289 534 Y HN 0.630 nan 8.280 nan 0.000 0.471 535 R N 1.119 121.706 120.500 0.145 0.000 2.720 535 R HA 0.580 4.947 4.340 0.044 0.000 0.272 535 R C -1.030 175.272 176.300 0.004 0.000 0.991 535 R CA -1.126 55.007 56.100 0.055 0.000 1.010 535 R CB 1.730 32.043 30.300 0.022 0.000 1.141 535 R HN 0.590 nan 8.270 nan 0.000 0.494 536 I N 1.496 122.050 120.570 -0.026 0.000 2.668 536 I HA -0.032 4.164 4.170 0.044 0.000 0.285 536 I C 1.225 177.291 176.117 -0.085 0.000 1.168 536 I CA 1.460 62.711 61.300 -0.082 0.000 1.424 536 I CB 0.580 38.550 38.000 -0.050 0.000 1.377 536 I HN 1.070 nan 8.210 nan 0.000 0.560 537 G N 3.957 112.674 108.800 -0.139 0.000 2.253 537 G HA2 -0.187 3.799 3.960 0.044 0.000 0.209 537 G HA3 -0.187 3.799 3.960 0.044 0.000 0.209 537 G C -0.063 174.765 174.900 -0.121 0.000 0.997 537 G CA -0.567 44.465 45.100 -0.113 0.000 0.640 537 G HN 0.540 nan 8.290 nan 0.000 0.496 538 D N 0.585 120.914 120.400 -0.119 0.000 2.329 538 D HA 0.511 5.177 4.640 0.044 0.000 0.246 538 D C 0.296 176.479 176.300 -0.195 0.000 1.111 538 D CA 0.058 54.011 54.000 -0.079 0.000 0.941 538 D CB 1.258 42.106 40.800 0.080 0.000 1.169 538 D HN 0.329 nan 8.370 nan 0.000 0.441 539 K N 0.967 121.274 120.400 -0.154 0.000 2.293 539 K HA 0.377 4.723 4.320 0.044 0.000 0.267 539 K C -1.247 175.197 176.600 -0.260 0.000 1.010 539 K CA -0.647 55.507 56.287 -0.221 0.000 0.875 539 K CB 0.807 33.209 32.500 -0.162 0.000 1.106 539 K HN 0.099 nan 8.250 nan 0.000 0.450 540 V N 4.042 123.698 119.914 -0.431 0.000 2.432 540 V HA 0.216 4.363 4.120 0.044 0.000 0.271 540 V C -0.170 175.774 176.094 -0.251 0.000 1.046 540 V CA -0.329 61.603 62.300 -0.613 0.000 0.945 540 V CB 1.296 32.600 31.823 -0.864 0.000 0.992 540 V HN 0.808 nan 8.190 nan 0.000 0.471 541 T N 4.777 119.231 114.554 -0.166 0.000 2.812 541 T HA 0.680 5.056 4.350 0.044 0.000 0.282 541 T C -0.471 174.180 174.700 -0.082 0.000 0.990 541 T CA -0.365 61.682 62.100 -0.089 0.000 0.960 541 T CB 1.744 70.570 68.868 -0.070 0.000 0.948 541 T HN 0.359 nan 8.240 nan 0.000 0.438 542 V N 1.668 121.550 119.914 -0.054 0.000 3.040 542 V HA 0.961 5.107 4.120 0.044 0.000 0.312 542 V C -0.740 175.304 176.094 -0.083 0.000 1.115 542 V CA -0.852 61.395 62.300 -0.089 0.000 0.998 542 V CB 2.214 34.008 31.823 -0.049 0.000 1.042 542 V HN 1.087 nan 8.190 nan 0.000 0.433 543 A N 2.387 125.065 122.820 -0.236 0.000 2.475 543 A HA 0.966 5.312 4.320 0.044 0.000 0.301 543 A C -1.624 175.737 177.584 -0.371 0.000 1.059 543 A CA -0.366 51.570 52.037 -0.170 0.000 0.710 543 A CB 1.453 20.370 19.000 -0.138 0.000 1.288 543 A HN 0.586 nan 8.150 nan 0.000 0.408 544 F N 0.253 120.140 119.950 -0.106 0.000 2.603 544 F HA 0.544 5.098 4.527 0.044 0.000 0.317 544 F C 0.112 175.886 175.800 -0.043 0.000 1.066 544 F CA -0.947 57.015 58.000 -0.064 0.000 0.941 544 F CB 2.238 41.229 39.000 -0.014 0.000 1.291 544 F HN 0.325 nan 8.300 nan 0.000 0.472 545 V N 1.767 121.813 119.914 0.220 0.000 2.488 545 V HA 0.446 4.592 4.120 0.044 0.000 0.277 545 V C -0.075 176.302 176.094 0.472 0.000 1.046 545 V CA 0.223 62.662 62.300 0.231 0.000 0.986 545 V CB 0.804 32.709 31.823 0.137 0.000 0.989 545 V HN 0.901 nan 8.190 nan 0.000 0.475 546 T N 2.843 117.713 114.554 0.526 0.000 2.669 546 T HA 0.744 5.120 4.350 0.044 0.000 0.283 546 T C 0.086 175.126 174.700 0.566 0.000 1.019 546 T CA -0.246 62.206 62.100 0.587 0.000 1.039 546 T CB 1.875 71.094 68.868 0.585 0.000 1.374 546 T HN 0.852 nan 8.240 nan 0.000 0.523 547 G N -0.774 108.251 108.800 0.375 0.000 2.600 547 G HA2 0.506 4.492 3.960 0.044 0.000 0.303 547 G HA3 0.506 4.492 3.960 0.044 0.000 0.303 547 G C -1.106 174.038 174.900 0.407 0.000 1.253 547 G CA -0.486 44.771 45.100 0.262 0.000 0.974 547 G HN 0.710 nan 8.290 nan 0.000 0.483 548 H N 1.864 121.080 119.070 0.244 0.000 3.145 548 H HA 0.065 4.647 4.556 0.044 0.000 0.288 548 H C -1.139 174.112 175.328 -0.129 0.000 0.969 548 H CA -1.147 54.876 56.048 -0.041 0.000 1.444 548 H CB 1.821 31.533 29.762 -0.083 0.000 1.500 548 H HN 0.164 nan 8.280 nan 0.000 0.552 549 P HA -0.151 nan 4.420 nan 0.000 0.223 549 P C 1.263 178.643 177.300 0.135 0.000 1.144 549 P CA 0.987 64.138 63.100 0.085 0.000 0.783 549 P CB 0.346 31.930 31.700 -0.193 0.000 0.771 550 K N 0.378 120.884 120.400 0.176 0.000 2.280 550 K HA -0.080 4.266 4.320 0.044 0.000 0.202 550 K C 1.899 178.472 176.600 -0.045 0.000 1.047 550 K CA 0.950 57.235 56.287 -0.003 0.000 0.942 550 K CB -0.431 31.904 32.500 -0.275 0.000 0.739 550 K HN -0.051 nan 8.250 nan 0.000 0.457 551 N N 0.668 119.365 118.700 -0.004 0.000 2.244 551 N HA -0.121 4.645 4.740 0.044 0.000 0.183 551 N C -0.342 175.157 175.510 -0.018 0.000 1.016 551 N CA 1.032 54.067 53.050 -0.024 0.000 0.866 551 N CB 0.069 38.554 38.487 -0.003 0.000 0.980 551 N HN 0.272 nan 8.380 nan 0.000 0.430 552 D N -0.646 119.765 120.400 0.018 0.000 2.861 552 D HA 0.089 4.756 4.640 0.044 0.000 0.216 552 D C 0.277 176.581 176.300 0.008 0.000 1.323 552 D CA -0.478 53.508 54.000 -0.022 0.000 0.917 552 D CB 1.186 41.946 40.800 -0.067 0.000 1.582 552 D HN -0.291 nan 8.370 nan 0.000 0.576 553 L N 3.046 124.251 121.223 -0.031 0.000 2.362 553 L HA 0.137 4.503 4.340 0.044 0.000 0.219 553 L C 1.341 178.128 176.870 -0.140 0.000 1.134 553 L CA 0.954 55.785 54.840 -0.015 0.000 0.807 553 L CB -0.687 41.334 42.059 -0.064 0.000 0.927 553 L HN 0.581 nan 8.230 nan 0.000 0.447 554 R N -0.426 119.922 120.500 -0.253 0.000 3.336 554 R HA -0.150 4.216 4.340 0.044 0.000 0.260 554 R C -0.078 176.047 176.300 -0.292 0.000 1.032 554 R CA 0.570 56.437 56.100 -0.388 0.000 0.693 554 R CB -2.818 27.003 30.300 -0.799 0.000 1.134 554 R HN 0.247 nan 8.270 nan 0.000 0.433 555 T N 2.076 116.502 114.554 -0.213 0.000 2.867 555 T HA 0.013 4.389 4.350 0.044 0.000 0.297 555 T C 1.049 175.644 174.700 -0.174 0.000 0.989 555 T CA 0.077 62.059 62.100 -0.196 0.000 1.159 555 T CB 0.638 69.407 68.868 -0.164 0.000 0.928 555 T HN 0.304 nan 8.240 nan 0.000 0.538 556 E N 0.252 120.354 120.200 -0.164 0.000 3.496 556 E HA -0.172 4.205 4.350 0.044 0.000 0.300 556 E C 0.217 176.763 176.600 -0.089 0.000 0.877 556 E CA 1.317 57.675 56.400 -0.070 0.000 1.050 556 E CB -1.000 28.672 29.700 -0.047 0.000 1.532 556 E HN 0.735 nan 8.360 nan 0.000 0.447 557 K N -0.996 119.303 120.400 -0.169 0.000 1.884 557 K HA 0.665 5.011 4.320 0.044 0.000 0.250 557 K C 0.050 176.494 176.600 -0.261 0.000 1.009 557 K CA -0.180 55.960 56.287 -0.244 0.000 0.925 557 K CB 1.557 33.855 32.500 -0.336 0.000 1.839 557 K HN -0.014 nan 8.250 nan 0.000 0.735 558 T N -0.927 113.391 114.554 -0.393 0.000 2.840 558 T HA 0.386 4.762 4.350 0.044 0.000 0.317 558 T C -1.012 173.444 174.700 -0.407 0.000 1.401 558 T CA -0.598 61.319 62.100 -0.305 0.000 1.028 558 T CB 0.474 69.263 68.868 -0.131 0.000 1.317 558 T HN 0.341 nan 8.240 nan 0.000 0.495 559 F N 2.646 122.490 119.950 -0.176 0.000 2.743 559 F HA 0.419 4.972 4.527 0.043 0.000 0.297 559 F C 0.771 176.596 175.800 0.042 0.000 1.131 559 F CA -0.038 57.833 58.000 -0.214 0.000 1.426 559 F CB 0.451 38.998 39.000 -0.755 0.000 1.116 559 F HN 0.382 nan 8.300 nan 0.000 0.583 560 L N -2.119 119.234 121.223 0.216 0.000 2.622 560 L HA 0.644 5.010 4.340 0.044 0.000 0.258 560 L C -1.428 175.534 176.870 0.154 0.000 0.996 560 L CA -0.743 54.232 54.840 0.225 0.000 0.858 560 L CB 1.930 44.124 42.059 0.226 0.000 1.449 560 L HN -0.118 nan 8.230 nan 0.000 0.411 561 E N 0.895 121.166 120.200 0.120 0.000 2.304 561 E HA 0.561 4.937 4.350 0.044 0.000 0.277 561 E C -1.451 175.098 176.600 -0.084 0.000 0.898 561 E CA -0.790 55.627 56.400 0.028 0.000 0.764 561 E CB 3.302 33.053 29.700 0.085 0.000 1.216 561 E HN 0.440 nan 8.360 nan 0.000 0.419 562 V N 3.210 123.000 119.914 -0.206 0.000 2.364 562 V HA 0.245 4.391 4.120 0.044 0.000 0.272 562 V C -0.196 175.723 176.094 -0.291 0.000 1.036 562 V CA -0.563 61.521 62.300 -0.359 0.000 0.880 562 V CB 1.247 32.552 31.823 -0.862 0.000 0.991 562 V HN 0.407 nan 8.190 nan 0.000 0.460 563 V N 4.507 124.203 119.914 -0.363 0.000 2.459 563 V HA 0.414 4.560 4.120 0.044 0.000 0.295 563 V C -0.028 175.880 176.094 -0.311 0.000 1.029 563 V CA -0.821 61.221 62.300 -0.429 0.000 0.874 563 V CB 1.933 33.196 31.823 -0.934 0.000 0.985 563 V HN 0.928 nan 8.190 nan 0.000 0.438 564 N N 4.002 122.535 118.700 -0.278 0.000 2.425 564 N HA 0.425 5.192 4.740 0.044 0.000 0.268 564 N C 0.149 175.475 175.510 -0.308 0.000 0.991 564 N CA -0.617 52.093 53.050 -0.567 0.000 0.931 564 N CB 1.002 39.218 38.487 -0.452 0.000 1.130 564 N HN 0.700 nan 8.380 nan 0.000 0.493 565 I N 0.789 121.202 120.570 -0.261 0.000 3.877 565 I HA 0.604 4.800 4.170 0.044 0.000 0.332 565 I C 0.681 176.745 176.117 -0.088 0.000 1.525 565 I CA -0.547 60.708 61.300 -0.075 0.000 1.146 565 I CB -0.386 37.652 38.000 0.064 0.000 1.137 565 I HN 0.599 nan 8.210 nan 0.000 0.424 566 G N 1.727 110.440 108.800 -0.144 0.000 2.661 566 G HA2 -0.198 3.789 3.960 0.044 0.000 0.685 566 G HA3 -0.198 3.789 3.960 0.044 0.000 0.685 566 G C -0.025 174.875 174.900 0.001 0.000 1.298 566 G CA -0.220 44.837 45.100 -0.072 0.000 0.855 566 G HN 0.245 nan 8.290 nan 0.000 0.560 567 K N -0.103 120.317 120.400 0.034 0.000 2.283 567 K HA 0.021 4.367 4.320 0.044 0.000 0.202 567 K C 0.432 177.118 176.600 0.145 0.000 1.048 567 K CA 1.789 58.138 56.287 0.104 0.000 0.948 567 K CB -0.073 32.467 32.500 0.067 0.000 0.742 567 K HN 0.695 nan 8.250 nan 0.000 0.458 568 D N -2.340 118.070 120.400 0.016 0.000 2.336 568 D HA 0.169 4.835 4.640 0.044 0.000 0.248 568 D C 0.473 176.668 176.300 -0.175 0.000 1.326 568 D CA -0.615 53.312 54.000 -0.123 0.000 0.973 568 D CB 1.112 41.871 40.800 -0.069 0.000 1.255 568 D HN 0.001 nan 8.370 nan 0.000 0.558 569 G N 2.420 111.026 108.800 -0.322 0.000 5.446 569 G HA2 -0.431 3.555 3.960 0.044 0.000 0.244 569 G HA3 -0.431 3.555 3.960 0.044 0.000 0.244 569 G C 0.979 175.821 174.900 -0.098 0.000 0.946 569 G CA 1.353 46.330 45.100 -0.204 0.000 0.502 569 G HN 0.554 nan 8.290 nan 0.000 0.925 570 K N -0.076 120.279 120.400 -0.076 0.000 2.896 570 K HA 0.229 4.575 4.320 0.044 0.000 0.210 570 K C 0.256 176.839 176.600 -0.030 0.000 1.116 570 K CA -0.286 55.974 56.287 -0.046 0.000 1.050 570 K CB 0.257 32.730 32.500 -0.044 0.000 0.812 570 K HN 0.136 nan 8.250 nan 0.000 0.462 571 Q N 0.540 120.323 119.800 -0.029 0.000 2.230 571 Q HA 0.188 4.554 4.340 0.044 0.000 0.253 571 Q C -0.433 175.559 176.000 -0.012 0.000 0.919 571 Q CA -0.302 55.488 55.803 -0.023 0.000 0.908 571 Q CB 1.364 30.082 28.738 -0.032 0.000 1.245 571 Q HN 0.140 nan 8.270 nan 0.000 0.437 572 T N 5.362 119.912 114.554 -0.007 0.000 2.765 572 T HA 0.018 4.394 4.350 0.044 0.000 0.275 572 T C -2.077 172.625 174.700 0.003 0.000 1.007 572 T CA -0.432 61.670 62.100 0.003 0.000 1.175 572 T CB -0.346 68.523 68.868 0.001 0.000 0.993 572 T HN 0.351 nan 8.240 nan 0.000 0.510 573 P HA 0.152 nan 4.420 nan 0.000 0.263 573 P C -0.882 176.410 177.300 -0.013 0.000 1.195 573 P CA -0.109 63.007 63.100 0.026 0.000 0.762 573 P CB 0.496 32.266 31.700 0.117 0.000 0.799 574 V N 4.299 124.181 119.914 -0.053 0.000 2.483 574 V HA 0.175 4.321 4.120 0.044 0.000 0.297 574 V C 0.485 176.544 176.094 -0.058 0.000 1.027 574 V CA -0.445 61.829 62.300 -0.043 0.000 0.855 574 V CB 1.895 33.701 31.823 -0.029 0.000 0.995 574 V HN 0.486 nan 8.190 nan 0.000 0.424 575 T N 4.288 118.815 114.554 -0.045 0.000 2.817 575 T HA 0.165 4.541 4.350 0.044 0.000 0.295 575 T C 1.025 175.719 174.700 -0.010 0.000 0.958 575 T CA 0.249 62.319 62.100 -0.049 0.000 1.157 575 T CB 0.990 69.841 68.868 -0.029 0.000 0.898 575 T HN 0.777 nan 8.240 nan 0.000 0.536 576 V N 0.377 120.281 119.914 -0.017 0.000 3.645 576 V HA 0.751 4.897 4.120 0.044 0.000 0.275 576 V C 0.500 176.622 176.094 0.047 0.000 1.356 576 V CA 0.152 62.484 62.300 0.054 0.000 1.051 576 V CB -0.461 31.450 31.823 0.147 0.000 0.828 576 V HN 0.910 nan 8.190 nan 0.000 0.441 577 A N -0.896 121.886 122.820 -0.063 0.000 2.574 577 A HA 0.826 5.172 4.320 0.044 0.000 0.297 577 A C -0.559 177.012 177.584 -0.022 0.000 1.062 577 A CA -0.088 51.926 52.037 -0.039 0.000 0.686 577 A CB 1.975 20.828 19.000 -0.246 0.000 1.285 577 A HN 0.146 nan 8.150 nan 0.000 0.403 578 T N -0.622 113.968 114.554 0.059 0.000 2.838 578 T HA 0.456 4.833 4.350 0.044 0.000 0.292 578 T C 0.321 175.090 174.700 0.115 0.000 1.113 578 T CA 0.467 62.612 62.100 0.075 0.000 1.008 578 T CB 1.344 70.269 68.868 0.093 0.000 1.259 578 T HN 0.840 nan 8.240 nan 0.000 0.520 579 D N 0.573 121.051 120.400 0.130 0.000 2.378 579 D HA -0.054 4.613 4.640 0.044 0.000 0.222 579 D C 1.241 177.649 176.300 0.179 0.000 0.980 579 D CA 0.783 54.888 54.000 0.174 0.000 0.907 579 D CB -0.159 40.766 40.800 0.208 0.000 0.899 579 D HN 0.386 nan 8.370 nan 0.000 0.527 580 N N 0.232 119.046 118.700 0.190 0.000 2.415 580 N HA -0.077 4.690 4.740 0.044 0.000 0.176 580 N C -0.334 175.226 175.510 0.082 0.000 1.042 580 N CA 0.117 53.303 53.050 0.225 0.000 0.902 580 N CB 0.094 38.826 38.487 0.409 0.000 0.986 580 N HN -0.001 nan 8.380 nan 0.000 0.447 581 D N -0.346 120.109 120.400 0.091 0.000 2.399 581 D HA -0.114 4.552 4.640 0.044 0.000 0.241 581 D C 0.789 177.053 176.300 -0.060 0.000 1.133 581 D CA -0.233 53.770 54.000 0.005 0.000 0.890 581 D CB 0.437 41.336 40.800 0.165 0.000 1.201 581 D HN 0.333 nan 8.370 nan 0.000 0.432 582 W N 2.390 123.456 121.300 -0.390 0.000 2.374 582 W HA -0.159 4.529 4.660 0.046 0.000 0.288 582 W C 0.535 177.177 176.519 0.204 0.000 1.218 582 W CA 0.849 58.114 57.345 -0.133 0.000 1.245 582 W CB 0.224 29.688 29.460 0.007 0.000 1.126 582 W HN 0.350 nan 8.180 nan 0.000 0.545 583 D N 0.310 120.906 120.400 0.326 0.000 2.371 583 D HA -0.055 4.612 4.640 0.044 0.000 0.221 583 D C 0.972 177.443 176.300 0.284 0.000 0.986 583 D CA 1.145 55.320 54.000 0.291 0.000 0.899 583 D CB 0.117 41.177 40.800 0.434 0.000 0.902 583 D HN 0.105 nan 8.370 nan 0.000 0.530 584 T N -2.465 112.227 114.554 0.230 0.000 2.930 584 T HA 0.652 5.028 4.350 0.044 0.000 0.290 584 T C -0.430 174.349 174.700 0.132 0.000 1.052 584 T CA -0.908 61.314 62.100 0.204 0.000 1.017 584 T CB 2.850 71.834 68.868 0.194 0.000 1.137 584 T HN -0.196 nan 8.240 nan 0.000 0.511 585 Q N 0.417 120.276 119.800 0.100 0.000 2.309 585 Q HA 0.393 4.759 4.340 0.044 0.000 0.273 585 Q C -2.174 173.916 176.000 0.150 0.000 1.040 585 Q CA -0.918 54.926 55.803 0.069 0.000 0.834 585 Q CB 2.937 31.599 28.738 -0.125 0.000 1.345 585 Q HN 0.819 nan 8.270 nan 0.000 0.414 586 Y N 2.134 122.465 120.300 0.052 0.000 2.328 586 Y HA 0.579 5.155 4.550 0.044 0.000 0.336 586 Y C -1.361 174.546 175.900 0.011 0.000 0.960 586 Y CA -0.672 57.454 58.100 0.044 0.000 1.134 586 Y CB 1.237 39.735 38.460 0.063 0.000 1.166 586 Y HN 0.582 nan 8.280 nan 0.000 0.464 587 R N 5.692 125.845 120.500 -0.579 0.000 2.599 587 R HA 0.405 4.771 4.340 0.044 0.000 0.295 587 R C -2.171 173.779 176.300 -0.583 0.000 0.963 587 R CA -0.694 55.095 56.100 -0.518 0.000 0.883 587 R CB 1.240 31.403 30.300 -0.228 0.000 1.171 587 R HN 0.861 nan 8.270 nan 0.000 0.450 588 W N 4.755 125.671 121.300 -0.640 0.000 2.666 588 W HA 0.341 5.027 4.660 0.044 0.000 0.334 588 W C -1.218 175.143 176.519 -0.264 0.000 1.051 588 W CA -0.344 56.741 57.345 -0.434 0.000 1.224 588 W CB 1.277 30.486 29.460 -0.419 0.000 1.405 588 W HN 0.598 nan 8.180 nan 0.000 0.513 589 E N 4.405 123.955 120.200 -1.082 0.000 2.343 589 E HA 0.396 4.772 4.350 0.044 0.000 0.278 589 E C -1.371 174.387 176.600 -1.404 0.000 0.910 589 E CA -1.198 54.606 56.400 -0.994 0.000 0.757 589 E CB 1.645 31.062 29.700 -0.471 0.000 1.218 589 E HN 0.408 nan 8.360 nan 0.000 0.435 590 R N 1.690 121.539 120.500 -1.085 0.000 2.389 590 R HA 0.361 4.727 4.340 0.044 0.000 0.295 590 R C -0.922 175.135 176.300 -0.405 0.000 1.075 590 R CA -0.227 55.472 56.100 -0.669 0.000 1.005 590 R CB 1.100 31.247 30.300 -0.256 0.000 0.987 590 R HN 0.489 nan 8.270 nan 0.000 0.452 591 V N 4.087 123.795 119.914 -0.342 0.000 2.709 591 V HA 0.880 5.027 4.120 0.044 0.000 0.308 591 V C 0.351 176.267 176.094 -0.297 0.000 1.062 591 V CA 0.412 62.512 62.300 -0.333 0.000 0.901 591 V CB 1.042 32.581 31.823 -0.473 0.000 1.003 591 V HN 1.191 nan 8.190 nan 0.000 0.425 592 G N 4.999 113.653 108.800 -0.243 0.000 2.575 592 G HA2 -0.216 3.770 3.960 0.044 0.000 0.267 592 G HA3 -0.216 3.770 3.960 0.044 0.000 0.267 592 G C 0.344 175.174 174.900 -0.116 0.000 1.264 592 G CA 0.264 45.255 45.100 -0.181 0.000 0.935 592 G HN 1.108 nan 8.290 nan 0.000 0.568 593 I N 0.959 121.478 120.570 -0.085 0.000 2.339 593 I HA 0.066 4.263 4.170 0.044 0.000 0.245 593 I C 2.588 178.696 176.117 -0.015 0.000 1.096 593 I CA 2.609 63.880 61.300 -0.047 0.000 1.408 593 I CB -0.987 36.985 38.000 -0.047 0.000 1.092 593 I HN 0.897 nan 8.210 nan 0.000 0.423 594 S N -0.687 115.008 115.700 -0.008 0.000 2.846 594 S HA 0.595 5.091 4.470 0.044 0.000 0.249 594 S C 0.493 175.159 174.600 0.110 0.000 1.028 594 S CA -0.454 57.782 58.200 0.060 0.000 1.043 594 S CB 0.275 63.502 63.200 0.045 0.000 0.990 594 S HN 0.208 nan 8.310 nan 0.000 0.564 595 A N 1.800 124.631 122.820 0.019 0.000 2.248 595 A HA 0.950 5.296 4.320 0.044 0.000 0.316 595 A C 0.200 177.790 177.584 0.011 0.000 1.101 595 A CA -0.334 51.726 52.037 0.038 0.000 0.875 595 A CB 1.097 19.993 19.000 -0.174 0.000 1.207 595 A HN 1.105 nan 8.150 nan 0.000 0.504 596 S N -0.490 115.262 115.700 0.087 0.000 2.565 596 S HA 0.641 5.137 4.470 0.044 0.000 0.269 596 S C -1.187 173.434 174.600 0.035 0.000 1.153 596 S CA -0.901 57.225 58.200 -0.124 0.000 0.835 596 S CB 1.548 64.739 63.200 -0.015 0.000 1.122 596 S HN 0.868 nan 8.310 nan 0.000 0.462 597 K N 0.576 120.844 120.400 -0.220 0.000 2.378 597 K HA 0.713 5.059 4.320 0.044 0.000 0.252 597 K C -1.250 175.279 176.600 -0.119 0.000 0.931 597 K CA -0.755 55.512 56.287 -0.032 0.000 0.794 597 K CB 1.984 34.493 32.500 0.015 0.000 1.181 597 K HN 0.967 nan 8.250 nan 0.000 0.425 598 A N 3.105 125.935 122.820 0.016 0.000 2.253 598 A HA 0.398 4.745 4.320 0.044 0.000 0.316 598 A C -0.683 176.909 177.584 0.014 0.000 1.327 598 A CA -0.433 51.609 52.037 0.009 0.000 0.917 598 A CB 0.592 19.507 19.000 -0.143 0.000 1.162 598 A HN 0.623 nan 8.150 nan 0.000 0.535 599 T N 3.809 118.334 114.554 -0.049 0.000 2.758 599 T HA 0.534 4.911 4.350 0.044 0.000 0.285 599 T C -0.195 174.530 174.700 0.041 0.000 0.981 599 T CA 0.141 62.231 62.100 -0.016 0.000 0.965 599 T CB 0.249 69.070 68.868 -0.078 0.000 0.927 599 T HN 0.470 nan 8.240 nan 0.000 0.448 600 I N 3.339 123.981 120.570 0.120 0.000 2.433 600 I HA 0.461 4.657 4.170 0.044 0.000 0.292 600 I C 0.319 176.495 176.117 0.097 0.000 1.001 600 I CA -0.678 60.721 61.300 0.165 0.000 1.119 600 I CB 1.805 39.967 38.000 0.271 0.000 1.289 600 I HN 0.626 nan 8.210 nan 0.000 0.438 601 S N 4.295 120.040 115.700 0.075 0.000 2.566 601 S HA 0.675 5.172 4.470 0.044 0.000 0.298 601 S C -1.547 173.138 174.600 0.142 0.000 1.083 601 S CA -0.735 57.487 58.200 0.038 0.000 0.978 601 S CB 2.318 65.484 63.200 -0.056 0.000 1.073 601 S HN 0.627 nan 8.310 nan 0.000 0.491 602 W N 1.770 122.993 121.300 -0.128 0.000 2.884 602 W HA 0.588 5.274 4.660 0.043 0.000 0.336 602 W C -1.428 175.007 176.519 -0.139 0.000 1.038 602 W CA -0.672 56.612 57.345 -0.103 0.000 1.247 602 W CB 1.719 31.138 29.460 -0.068 0.000 1.351 602 W HN 0.645 nan 8.180 nan 0.000 0.446 603 S N 6.820 122.329 115.700 -0.319 0.000 2.409 603 S HA 0.355 4.851 4.470 0.044 0.000 0.308 603 S C 0.249 174.380 174.600 -0.782 0.000 1.080 603 S CA -0.494 57.444 58.200 -0.437 0.000 1.081 603 S CB -0.217 62.854 63.200 -0.215 0.000 1.009 603 S HN 0.367 nan 8.310 nan 0.000 0.502 604 I N 6.664 126.583 120.570 -1.085 0.000 2.828 604 I HA 0.026 4.222 4.170 0.044 0.000 0.292 604 I C -1.672 174.142 176.117 -0.505 0.000 1.206 604 I CA -0.808 59.780 61.300 -1.187 0.000 1.420 604 I CB 0.070 37.527 38.000 -0.906 0.000 1.368 604 I HN 0.306 nan 8.210 nan 0.000 0.556 605 P HA 0.400 nan 4.420 nan 0.000 0.285 605 P C -2.675 174.610 177.300 -0.025 0.000 1.269 605 P CA -2.437 60.624 63.100 -0.065 0.000 0.844 605 P CB 0.783 32.533 31.700 0.083 0.000 1.094 606 P HA 0.111 nan 4.420 nan 0.000 0.266 606 P C 0.990 178.316 177.300 0.044 0.000 1.195 606 P CA 1.426 64.535 63.100 0.016 0.000 0.768 606 P CB -0.155 31.557 31.700 0.019 0.000 0.838 607 G N 1.088 109.916 108.800 0.046 0.000 2.194 607 G HA2 -0.207 3.779 3.960 0.044 0.000 0.236 607 G HA3 -0.207 3.779 3.960 0.044 0.000 0.236 607 G C 0.266 175.222 174.900 0.094 0.000 0.987 607 G CA -0.082 45.056 45.100 0.064 0.000 0.635 607 G HN 0.589 nan 8.290 nan 0.000 0.520 608 T N 2.733 117.344 114.554 0.095 0.000 2.853 608 T HA 0.371 4.747 4.350 0.044 0.000 0.298 608 T C 0.348 175.152 174.700 0.173 0.000 0.978 608 T CA 0.017 62.205 62.100 0.147 0.000 1.152 608 T CB 1.007 69.919 68.868 0.073 0.000 0.914 608 T HN 0.283 nan 8.240 nan 0.000 0.539 609 E N 4.660 125.008 120.200 0.247 0.000 2.406 609 E HA 0.066 4.442 4.350 0.044 0.000 0.258 609 E C -2.146 174.622 176.600 0.280 0.000 1.043 609 E CA -1.446 55.088 56.400 0.223 0.000 0.929 609 E CB 0.270 30.091 29.700 0.202 0.000 0.969 609 E HN 0.380 nan 8.360 nan 0.000 0.462 610 P HA 0.082 nan 4.420 nan 0.000 0.266 610 P C 0.134 177.550 177.300 0.193 0.000 1.195 610 P CA 0.361 63.571 63.100 0.183 0.000 0.768 610 P CB 0.840 32.607 31.700 0.111 0.000 0.838 611 G N 1.397 110.320 108.800 0.206 0.000 2.368 611 G HA2 0.111 4.097 3.960 0.044 0.000 0.269 611 G HA3 0.111 4.097 3.960 0.044 0.000 0.269 611 G C -1.803 173.105 174.900 0.014 0.000 1.291 611 G CA -0.659 44.516 45.100 0.125 0.000 0.903 611 G HN 0.476 nan 8.290 nan 0.000 0.483 612 H N -0.520 118.501 119.070 -0.081 0.000 2.467 612 H HA 0.742 5.324 4.556 0.044 0.000 0.326 612 H C -0.940 174.181 175.328 -0.346 0.000 1.094 612 H CA 0.078 56.068 56.048 -0.097 0.000 1.253 612 H CB 1.200 30.932 29.762 -0.050 0.000 1.439 612 H HN 0.489 nan 8.280 nan 0.000 0.479 613 Y N 1.387 121.481 120.300 -0.344 0.000 2.605 613 Y HA 0.415 4.991 4.550 0.044 0.000 0.343 613 Y C -0.900 174.734 175.900 -0.443 0.000 1.036 613 Y CA -1.175 56.636 58.100 -0.483 0.000 1.065 613 Y CB 1.822 39.844 38.460 -0.731 0.000 1.288 613 Y HN 0.661 nan 8.280 nan 0.000 0.481 614 Y N -1.153 119.140 120.300 -0.012 0.000 2.581 614 Y HA 0.793 5.370 4.550 0.044 0.000 0.337 614 Y C -1.962 174.129 175.900 0.319 0.000 1.108 614 Y CA -1.764 56.495 58.100 0.265 0.000 1.033 614 Y CB 1.075 39.645 38.460 0.182 0.000 1.318 614 Y HN 0.443 nan 8.280 nan 0.000 0.459 615 I N 3.681 124.575 120.570 0.541 0.000 2.377 615 I HA 0.515 4.711 4.170 0.044 0.000 0.293 615 I C -0.337 176.028 176.117 0.414 0.000 0.987 615 I CA -0.831 60.678 61.300 0.348 0.000 1.185 615 I CB 1.830 40.054 38.000 0.373 0.000 1.341 615 I HN 0.707 nan 8.210 nan 0.000 0.455 616 R N 4.266 124.876 120.500 0.183 0.000 2.589 616 R HA 0.475 4.841 4.340 0.044 0.000 0.293 616 R C -1.225 174.989 176.300 -0.142 0.000 0.963 616 R CA -0.653 55.475 56.100 0.046 0.000 0.905 616 R CB 1.348 31.635 30.300 -0.022 0.000 1.144 616 R HN 0.616 nan 8.270 nan 0.000 0.459 617 H N 2.502 121.192 119.070 -0.634 0.000 2.538 617 H HA 0.361 4.943 4.556 0.044 0.000 0.353 617 H C -1.810 173.193 175.328 -0.542 0.000 1.109 617 H CA -0.493 55.169 56.048 -0.644 0.000 1.192 617 H CB 0.810 29.774 29.762 -1.331 0.000 1.555 617 H HN 0.503 nan 8.280 nan 0.000 0.518 618 Y N 2.954 122.778 120.300 -0.794 0.000 2.376 618 Y HA 0.622 5.198 4.550 0.044 0.000 0.340 618 Y C 0.636 176.080 175.900 -0.761 0.000 0.965 618 Y CA -0.232 57.479 58.100 -0.648 0.000 1.078 618 Y CB 2.418 40.637 38.460 -0.403 0.000 1.193 618 Y HN 0.913 nan 8.280 nan 0.000 0.452 619 G N 1.629 110.211 108.800 -0.363 0.000 2.749 619 G HA2 0.622 4.608 3.960 0.044 0.000 0.300 619 G HA3 0.622 4.608 3.960 0.044 0.000 0.300 619 G C -1.867 173.008 174.900 -0.042 0.000 1.352 619 G CA -1.166 43.894 45.100 -0.067 0.000 0.789 619 G HN 0.523 nan 8.290 nan 0.000 0.509 620 N N -1.133 117.582 118.700 0.026 0.000 2.264 620 N HA 0.701 5.467 4.740 0.044 0.000 0.288 620 N C -0.853 174.598 175.510 -0.098 0.000 1.094 620 N CA -0.307 52.712 53.050 -0.051 0.000 0.817 620 N CB 2.473 40.941 38.487 -0.031 0.000 1.604 620 N HN 0.856 nan 8.380 nan 0.000 0.473 621 A N 0.869 123.556 122.820 -0.222 0.000 2.414 621 A HA 0.673 5.019 4.320 0.044 0.000 0.306 621 A C -1.018 176.475 177.584 -0.151 0.000 1.054 621 A CA -0.695 51.147 52.037 -0.325 0.000 0.724 621 A CB 1.263 19.627 19.000 -1.060 0.000 1.267 621 A HN 0.558 nan 8.150 nan 0.000 0.418 622 K N 2.114 122.484 120.400 -0.049 0.000 2.182 622 K HA 0.273 4.619 4.320 0.044 0.000 0.262 622 K C -0.872 175.769 176.600 0.068 0.000 0.957 622 K CA -0.563 55.727 56.287 0.006 0.000 0.842 622 K CB 0.871 33.374 32.500 0.004 0.000 1.099 622 K HN 0.809 nan 8.250 nan 0.000 0.438 623 N N 4.612 123.358 118.700 0.078 0.000 2.438 623 N HA 0.058 4.824 4.740 0.044 0.000 0.282 623 N C 0.521 176.062 175.510 0.050 0.000 1.037 623 N CA -0.230 52.893 53.050 0.123 0.000 0.942 623 N CB 0.661 39.254 38.487 0.175 0.000 1.136 623 N HN 0.600 nan 8.380 nan 0.000 0.481 624 F N 4.035 123.856 119.950 -0.215 0.000 2.095 624 F HA -0.091 4.462 4.527 0.044 0.000 0.298 624 F C 1.186 176.760 175.800 -0.376 0.000 1.104 624 F CA 1.585 59.339 58.000 -0.410 0.000 1.232 624 F CB -0.144 38.416 39.000 -0.735 0.000 0.987 624 F HN 0.637 nan 8.300 nan 0.000 0.475 625 W N -0.125 121.233 121.300 0.097 0.000 2.381 625 W HA -0.118 4.569 4.660 0.044 0.000 0.301 625 W C 2.700 179.183 176.519 -0.061 0.000 1.205 625 W CA 1.629 58.968 57.345 -0.009 0.000 1.285 625 W CB -1.283 28.228 29.460 0.085 0.000 1.133 625 W HN 0.088 nan 8.180 nan 0.000 0.521 626 T N -3.444 111.215 114.554 0.174 0.000 3.051 626 T HA 0.017 4.393 4.350 0.044 0.000 0.255 626 T C 1.177 175.880 174.700 0.005 0.000 1.085 626 T CA 0.639 62.793 62.100 0.090 0.000 1.109 626 T CB -0.027 68.905 68.868 0.107 0.000 0.921 626 T HN 0.070 nan 8.240 nan 0.000 0.488 627 Q N -0.632 119.143 119.800 -0.042 0.000 2.416 627 Q HA -0.133 4.233 4.340 0.044 0.000 0.235 627 Q C -0.369 175.613 176.000 -0.031 0.000 0.773 627 Q CA 0.953 56.711 55.803 -0.076 0.000 1.286 627 Q CB -1.648 27.027 28.738 -0.105 0.000 1.556 627 Q HN 0.567 nan 8.270 nan 0.000 0.650 628 K N 0.444 120.845 120.400 0.002 0.000 2.174 628 K HA 0.521 4.867 4.320 0.044 0.000 0.275 628 K C 0.210 176.812 176.600 0.004 0.000 1.015 628 K CA -0.111 56.180 56.287 0.007 0.000 0.933 628 K CB 0.678 33.195 32.500 0.028 0.000 1.025 628 K HN 0.091 nan 8.250 nan 0.000 0.463 629 I N 2.586 123.149 120.570 -0.012 0.000 2.328 629 I HA 0.209 4.406 4.170 0.044 0.000 0.287 629 I C -0.418 175.683 176.117 -0.027 0.000 1.012 629 I CA -0.381 60.903 61.300 -0.026 0.000 1.195 629 I CB 1.693 39.672 38.000 -0.035 0.000 1.350 629 I HN 0.475 nan 8.210 nan 0.000 0.464 630 S N 4.948 120.627 115.700 -0.036 0.000 2.593 630 S HA 0.380 4.876 4.470 0.044 0.000 0.297 630 S C -0.255 174.312 174.600 -0.054 0.000 1.112 630 S CA -0.866 57.317 58.200 -0.028 0.000 1.043 630 S CB 1.613 64.816 63.200 0.005 0.000 1.054 630 S HN 0.432 nan 8.310 nan 0.000 0.516 631 E N 1.529 121.709 120.200 -0.034 0.000 2.331 631 E HA 0.407 4.783 4.350 0.044 0.000 0.272 631 E C -0.363 176.220 176.600 -0.030 0.000 1.036 631 E CA -0.186 56.190 56.400 -0.039 0.000 0.864 631 E CB 0.903 30.591 29.700 -0.019 0.000 1.035 631 E HN 0.514 nan 8.360 nan 0.000 0.408 632 I N -1.774 118.765 120.570 -0.051 0.000 3.095 632 I HA 0.882 5.079 4.170 0.044 0.000 0.310 632 I C -0.060 176.003 176.117 -0.090 0.000 1.196 632 I CA -0.671 60.619 61.300 -0.018 0.000 0.985 632 I CB 2.524 40.526 38.000 0.004 0.000 1.250 632 I HN 0.469 nan 8.210 nan 0.000 0.446 633 G N 0.380 109.143 108.800 -0.061 0.000 2.349 633 G HA2 0.722 4.708 3.960 0.044 0.000 0.294 633 G HA3 0.722 4.708 3.960 0.044 0.000 0.294 633 G C -1.316 173.539 174.900 -0.075 0.000 1.380 633 G CA -0.213 44.755 45.100 -0.220 0.000 0.811 633 G HN 1.418 nan 8.290 nan 0.000 0.519 634 G N -1.373 107.337 108.800 -0.151 0.000 2.623 634 G HA2 0.695 4.681 3.960 0.044 0.000 0.290 634 G HA3 0.695 4.681 3.960 0.044 0.000 0.290 634 G C -1.353 173.652 174.900 0.175 0.000 1.437 634 G CA 0.069 45.242 45.100 0.122 0.000 0.798 634 G HN 1.213 nan 8.290 nan 0.000 0.488 635 S N -0.329 115.581 115.700 0.350 0.000 2.538 635 S HA 0.745 5.242 4.470 0.044 0.000 0.288 635 S C 0.382 175.215 174.600 0.389 0.000 1.108 635 S CA -0.347 58.092 58.200 0.399 0.000 0.971 635 S CB 1.746 65.086 63.200 0.233 0.000 1.041 635 S HN 1.201 nan 8.310 nan 0.000 0.483 636 T N 0.321 115.146 114.554 0.451 0.000 2.754 636 T HA 0.452 4.828 4.350 0.044 0.000 0.286 636 T C 0.506 175.336 174.700 0.216 0.000 0.997 636 T CA -0.843 61.405 62.100 0.247 0.000 0.982 636 T CB 0.254 69.271 68.868 0.248 0.000 1.027 636 T HN 0.757 nan 8.240 nan 0.000 0.529 637 R N 0.362 120.961 120.500 0.165 0.000 2.738 637 R HA 0.459 4.826 4.340 0.044 0.000 0.275 637 R C 0.200 176.668 176.300 0.281 0.000 1.121 637 R CA -0.676 55.509 56.100 0.141 0.000 1.207 637 R CB -0.002 30.368 30.300 0.116 0.000 1.141 637 R HN 0.769 nan 8.270 nan 0.000 0.571 638 S N 0.165 116.009 115.700 0.241 0.000 2.584 638 S HA 0.450 4.946 4.470 0.044 0.000 0.273 638 S C -0.232 174.619 174.600 0.418 0.000 1.311 638 S CA -0.932 57.463 58.200 0.324 0.000 1.034 638 S CB 0.401 63.743 63.200 0.237 0.000 0.939 638 S HN 0.510 nan 8.310 nan 0.000 0.513 639 F N -0.936 119.199 119.950 0.310 0.000 2.593 639 F HA 0.775 5.328 4.527 0.044 0.000 0.320 639 F C -0.360 175.555 175.800 0.191 0.000 1.060 639 F CA -1.418 56.744 58.000 0.269 0.000 0.940 639 F CB 1.151 40.385 39.000 0.390 0.000 1.268 639 F HN 0.707 nan 8.300 nan 0.000 0.475 640 E N 1.274 121.580 120.200 0.176 0.000 2.179 640 E HA 0.602 4.978 4.350 0.044 0.000 0.275 640 E C -1.792 174.912 176.600 0.173 0.000 0.945 640 E CA -0.912 55.430 56.400 -0.097 0.000 0.792 640 E CB 1.963 31.481 29.700 -0.303 0.000 1.125 640 E HN 0.656 nan 8.360 nan 0.000 0.397 641 V N 6.146 126.159 119.914 0.165 0.000 2.370 641 V HA 0.304 4.450 4.120 0.044 0.000 0.279 641 V C -0.124 176.045 176.094 0.125 0.000 1.029 641 V CA -0.575 61.843 62.300 0.197 0.000 0.870 641 V CB 0.905 32.836 31.823 0.180 0.000 0.984 641 V HN 0.617 nan 8.190 nan 0.000 0.451 642 L N 4.086 125.367 121.223 0.096 0.000 2.334 642 L HA 0.733 5.099 4.340 0.044 0.000 0.275 642 L C 1.006 177.909 176.870 0.054 0.000 1.036 642 L CA -0.453 54.427 54.840 0.066 0.000 0.807 642 L CB 1.220 43.308 42.059 0.047 0.000 1.231 642 L HN 0.696 nan 8.230 nan 0.000 0.438 643 G N 0.351 109.182 108.800 0.050 0.000 2.569 643 G HA2 0.464 4.450 3.960 0.044 0.000 0.249 643 G HA3 0.464 4.450 3.960 0.044 0.000 0.249 643 G C -0.459 174.457 174.900 0.027 0.000 1.216 643 G CA 0.050 45.174 45.100 0.040 0.000 0.845 643 G HN 0.538 nan 8.290 nan 0.000 0.568 644 T N 0.000 114.565 114.554 0.019 0.000 3.816 644 T HA 0.000 4.376 4.350 0.044 0.000 0.228 644 T CA 0.000 62.107 62.100 0.011 0.000 1.349 644 T CB 0.000 68.871 68.868 0.006 0.000 0.612 644 T HN 0.000 nan 8.240 nan 0.000 0.658