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 3d47_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENIMTLPKI KHVRAWFIGG ATAEKGAGGG DYHDQGGNHW IDDHIATPMS DATA SEQUENCE KYRDYEQSRQ SFGINVLGTL IVEVEAENRQ TGFAVSTAGE MGCFIVEKHL DATA SEQUENCE NRFIEGKCVS DIKLIHDQML GATMYYSGSG GLVMNTISCV DLALWDLFGK DATA SEQUENCE VVGLPVYKLL GGAVRDEIQF YATGARPDLA KEMGFIGGKM PTHWGPHDGD DATA SEQUENCE AGIRKDAAMV ADMREKCGPD FWLMLDCWMS QDVNYATKLA HACAPFNLKW DATA SEQUENCE IEECLPPQQY EGYRELKRNA PAGMMVTSGE HHGTLQSFRT LAETGIDIMQ DATA SEQUENCE PDVGWCGGLT TLVEIAALAK SRGQLVVPHG SSVYSHHAVI TFTNTPFSEF DATA SEQUENCE LMTSPDCSTL RPQFDPILLD EPVPVNGRIH KSVLDKPGFG VELNRDCHLK DATA SEQUENCE RPYSH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.004 0.000 1.140 1 M CA 0.000 55.303 55.300 0.004 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 E N 1.711 121.913 120.200 0.004 0.000 2.409 2 E HA 0.211 4.560 4.350 -0.001 0.000 0.257 2 E C -0.545 176.058 176.600 0.005 0.000 1.150 2 E CA -0.454 55.948 56.400 0.004 0.000 0.942 2 E CB 0.565 30.267 29.700 0.003 0.000 0.979 2 E HN 0.402 nan 8.360 nan 0.000 0.447 3 N N 1.762 120.465 118.700 0.005 0.000 2.530 3 N HA 0.128 4.867 4.740 -0.001 0.000 0.273 3 N C 0.245 175.760 175.510 0.008 0.000 1.173 3 N CA -0.179 52.875 53.050 0.006 0.000 0.967 3 N CB 0.702 39.193 38.487 0.006 0.000 1.109 3 N HN 0.404 nan 8.380 nan 0.000 0.453 4 I N -1.347 119.229 120.570 0.011 0.000 3.112 4 I HA 0.111 4.280 4.170 -0.001 0.000 0.284 4 I C 1.011 177.135 176.117 0.013 0.000 1.227 4 I CA -0.572 60.736 61.300 0.014 0.000 1.369 4 I CB 0.489 38.502 38.000 0.020 0.000 1.376 4 I HN 0.406 nan 8.210 nan 0.000 0.608 5 M N 4.056 123.664 119.600 0.013 0.000 2.252 5 M HA 0.107 4.587 4.480 -0.001 0.000 0.333 5 M C 0.183 176.495 176.300 0.020 0.000 1.111 5 M CA 0.091 55.397 55.300 0.010 0.000 1.140 5 M CB 0.535 33.136 32.600 0.002 0.000 1.538 5 M HN 0.900 nan 8.290 nan 0.000 0.448 6 T N 4.169 118.733 114.554 0.016 0.000 2.832 6 T HA 0.517 4.866 4.350 -0.001 0.000 0.296 6 T C -0.376 174.342 174.700 0.030 0.000 0.968 6 T CA -0.790 61.322 62.100 0.020 0.000 1.107 6 T CB 0.377 69.254 68.868 0.014 0.000 0.916 6 T HN 0.648 nan 8.240 nan 0.000 0.517 7 L N 5.259 126.506 121.223 0.040 0.000 2.341 7 L HA 0.536 4.875 4.340 -0.001 0.000 0.278 7 L C -1.743 175.151 176.870 0.040 0.000 1.005 7 L CA -2.272 52.603 54.840 0.058 0.000 0.818 7 L CB 2.085 44.201 42.059 0.094 0.000 1.259 7 L HN 0.597 nan 8.230 nan 0.000 0.418 8 P HA 0.326 nan 4.420 nan 0.000 0.278 8 P C -1.084 176.226 177.300 0.017 0.000 1.266 8 P CA -0.679 62.436 63.100 0.025 0.000 0.807 8 P CB 1.407 33.123 31.700 0.028 0.000 1.094 9 K N 0.134 120.535 120.400 0.001 0.000 2.090 9 K HA 0.483 4.802 4.320 -0.001 0.000 0.249 9 K C 0.017 176.608 176.600 -0.014 0.000 0.995 9 K CA -0.734 55.546 56.287 -0.011 0.000 0.914 9 K CB 0.220 32.708 32.500 -0.021 0.000 1.057 9 K HN 0.369 nan 8.250 nan 0.000 0.462 10 I N 2.504 123.064 120.570 -0.018 0.000 2.371 10 I HA 0.091 4.260 4.170 -0.001 0.000 0.290 10 I C 1.322 177.406 176.117 -0.054 0.000 1.028 10 I CA 0.050 61.342 61.300 -0.013 0.000 1.345 10 I CB 1.182 39.184 38.000 0.003 0.000 1.407 10 I HN 0.623 nan 8.210 nan 0.000 0.501 11 K N 5.156 125.493 120.400 -0.105 0.000 2.190 11 K HA 0.136 4.455 4.320 -0.001 0.000 0.202 11 K C 0.178 176.543 176.600 -0.392 0.000 1.045 11 K CA 0.626 56.733 56.287 -0.300 0.000 0.976 11 K CB 0.475 32.718 32.500 -0.428 0.000 0.849 11 K HN 0.559 nan 8.250 nan 0.000 0.468 12 H N -0.867 118.235 119.070 0.054 0.000 2.895 12 H HA 0.355 4.910 4.556 -0.002 0.000 0.373 12 H C -1.575 173.804 175.328 0.086 0.000 1.174 12 H CA -0.853 55.234 56.048 0.065 0.000 1.144 12 H CB 1.858 31.639 29.762 0.032 0.000 1.793 12 H HN -0.064 nan 8.280 nan 0.000 0.551 13 V N 2.451 122.518 119.914 0.254 0.000 2.588 13 V HA 0.576 4.695 4.120 -0.001 0.000 0.304 13 V C -0.949 175.223 176.094 0.131 0.000 1.042 13 V CA -0.509 61.890 62.300 0.166 0.000 0.877 13 V CB 1.793 33.681 31.823 0.109 0.000 0.996 13 V HN 0.708 nan 8.190 nan 0.000 0.425 14 R N 4.339 124.845 120.500 0.009 0.000 2.744 14 R HA 0.877 5.216 4.340 -0.001 0.000 0.279 14 R C -1.128 174.969 176.300 -0.338 0.000 0.977 14 R CA -0.560 55.383 56.100 -0.263 0.000 0.906 14 R CB 2.356 32.317 30.300 -0.565 0.000 1.197 14 R HN 0.851 nan 8.270 nan 0.000 0.463 15 A N 2.204 124.761 122.820 -0.437 0.000 2.371 15 A HA 0.764 5.083 4.320 -0.001 0.000 0.311 15 A C -1.454 175.961 177.584 -0.282 0.000 1.068 15 A CA -0.611 51.315 52.037 -0.184 0.000 0.744 15 A CB 1.346 20.356 19.000 0.018 0.000 1.239 15 A HN 0.590 nan 8.150 nan 0.000 0.435 16 W N 0.644 122.042 121.300 0.164 0.000 2.992 16 W HA 0.678 5.337 4.660 -0.001 0.000 0.342 16 W C -1.042 175.615 176.519 0.231 0.000 1.176 16 W CA -0.501 56.927 57.345 0.138 0.000 1.118 16 W CB 2.064 31.542 29.460 0.030 0.000 1.457 16 W HN 0.808 nan 8.180 nan 0.000 0.573 17 F N 0.829 120.967 119.950 0.314 0.000 2.645 17 F HA 0.812 5.338 4.527 -0.001 0.000 0.310 17 F C -1.207 174.683 175.800 0.149 0.000 1.102 17 F CA -1.496 56.620 58.000 0.193 0.000 0.952 17 F CB 0.997 40.087 39.000 0.150 0.000 1.326 17 F HN 0.234 nan 8.300 nan 0.000 0.456 18 I N -0.221 120.490 120.570 0.235 0.000 2.994 18 I HA 0.979 5.149 4.170 -0.001 0.000 0.306 18 I C 0.180 176.460 176.117 0.272 0.000 1.195 18 I CA -0.839 60.522 61.300 0.101 0.000 1.001 18 I CB 1.753 39.776 38.000 0.040 0.000 1.244 18 I HN 1.449 nan 8.210 nan 0.000 0.437 19 G N 1.871 110.797 108.800 0.209 0.000 2.697 19 G HA2 0.360 4.320 3.960 -0.001 0.000 0.240 19 G HA3 0.360 4.320 3.960 -0.001 0.000 0.240 19 G C 0.322 175.370 174.900 0.246 0.000 1.346 19 G CA 0.093 45.309 45.100 0.192 0.000 0.887 19 G HN 2.885 nan 8.290 nan 0.000 0.569 20 G N -2.763 106.126 108.800 0.147 0.000 2.756 20 G HA2 0.391 4.350 3.960 -0.001 0.000 0.678 20 G HA3 0.391 4.350 3.960 -0.001 0.000 0.678 20 G C 1.193 176.139 174.900 0.078 0.000 1.349 20 G CA 1.199 46.356 45.100 0.096 0.000 0.847 20 G HN 2.486 nan 8.290 nan 0.000 0.548 21 A N -0.953 121.884 122.820 0.028 0.000 2.125 21 A HA 0.258 4.577 4.320 -0.001 0.000 0.219 21 A C 2.302 179.911 177.584 0.042 0.000 1.156 21 A CA 2.972 55.022 52.037 0.022 0.000 0.671 21 A CB -0.576 18.421 19.000 -0.005 0.000 0.794 21 A HN 2.350 nan 8.150 nan 0.000 0.459 22 T N -4.616 109.977 114.554 0.065 0.000 3.134 22 T HA 0.701 5.050 4.350 -0.001 0.000 0.260 22 T C 0.414 175.264 174.700 0.251 0.000 1.027 22 T CA 0.503 62.674 62.100 0.119 0.000 0.913 22 T CB 0.180 69.087 68.868 0.064 0.000 1.046 22 T HN 0.662 nan 8.240 nan 0.000 0.553 23 A N 1.143 124.112 122.820 0.248 0.000 4.015 23 A HA 0.706 5.025 4.320 -0.001 0.000 0.233 23 A C -1.259 176.402 177.584 0.128 0.000 0.909 23 A CA -0.912 51.256 52.037 0.219 0.000 0.683 23 A CB 0.486 19.672 19.000 0.311 0.000 1.540 23 A HN 0.330 nan 8.150 nan 0.000 0.809 24 E N 1.742 122.008 120.200 0.110 0.000 2.105 24 E HA 0.195 4.544 4.350 -0.001 0.000 0.285 24 E C -0.582 176.066 176.600 0.080 0.000 1.055 24 E CA -0.546 55.904 56.400 0.083 0.000 0.843 24 E CB 0.839 30.590 29.700 0.085 0.000 1.067 24 E HN 0.351 nan 8.360 nan 0.000 0.398 25 K N 1.800 122.237 120.400 0.061 0.000 2.451 25 K HA -0.018 4.301 4.320 -0.001 0.000 0.280 25 K C 0.624 177.250 176.600 0.044 0.000 1.020 25 K CA 0.975 57.291 56.287 0.047 0.000 1.008 25 K CB 0.540 33.058 32.500 0.030 0.000 0.917 25 K HN 0.810 nan 8.250 nan 0.000 0.478 26 G N 2.763 111.586 108.800 0.038 0.000 2.132 26 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.228 26 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.228 26 G C 0.729 175.658 174.900 0.049 0.000 1.000 26 G CA 0.516 45.637 45.100 0.034 0.000 0.693 26 G HN 0.776 nan 8.290 nan 0.000 0.515 27 A N -0.618 122.238 122.820 0.061 0.000 2.121 27 A HA 0.490 4.809 4.320 -0.001 0.000 0.218 27 A C 2.891 180.513 177.584 0.063 0.000 1.154 27 A CA 2.121 54.197 52.037 0.065 0.000 0.679 27 A CB -0.523 18.524 19.000 0.078 0.000 0.795 27 A HN 2.669 nan 8.150 nan 0.000 0.458 28 G N -1.458 107.380 108.800 0.063 0.000 2.536 28 G HA2 0.130 4.089 3.960 -0.001 0.000 0.280 28 G HA3 0.130 4.089 3.960 -0.001 0.000 0.280 28 G C 1.514 176.466 174.900 0.088 0.000 1.152 28 G CA 1.052 46.195 45.100 0.072 0.000 0.970 28 G HN 2.324 nan 8.290 nan 0.000 0.549 29 G N -1.233 107.636 108.800 0.115 0.000 2.583 29 G HA2 0.131 4.090 3.960 -0.001 0.000 0.292 29 G HA3 0.131 4.090 3.960 -0.001 0.000 0.292 29 G C 2.046 177.017 174.900 0.120 0.000 1.203 29 G CA 2.241 47.412 45.100 0.117 0.000 0.987 29 G HN 2.449 nan 8.290 nan 0.000 0.554 30 G N 0.065 108.819 108.800 -0.076 0.000 2.442 30 G HA2 0.014 3.973 3.960 -0.001 0.000 0.219 30 G HA3 0.014 3.973 3.960 -0.001 0.000 0.219 30 G C 0.784 175.625 174.900 -0.099 0.000 1.141 30 G CA 1.560 46.501 45.100 -0.265 0.000 0.763 30 G HN 0.908 nan 8.290 nan 0.000 0.554 31 D N -0.315 120.098 120.400 0.021 0.000 2.402 31 D HA 0.190 4.829 4.640 -0.001 0.000 0.235 31 D C 0.942 177.288 176.300 0.076 0.000 1.226 31 D CA -0.760 53.301 54.000 0.101 0.000 0.918 31 D CB 0.145 41.030 40.800 0.142 0.000 1.043 31 D HN 0.322 nan 8.370 nan 0.000 0.506 32 Y N 1.772 122.163 120.300 0.153 0.000 2.228 32 Y HA -0.215 4.334 4.550 -0.002 0.000 0.285 32 Y C 1.758 177.505 175.900 -0.255 0.000 1.178 32 Y CA 1.416 59.467 58.100 -0.082 0.000 1.202 32 Y CB -0.489 37.850 38.460 -0.202 0.000 0.974 32 Y HN 0.631 nan 8.280 nan 0.000 0.527 33 H N -1.973 117.212 119.070 0.192 0.000 2.539 33 H HA 0.052 4.607 4.556 -0.002 0.000 0.267 33 H C 0.244 175.519 175.328 -0.088 0.000 0.982 33 H CA 0.251 56.280 56.048 -0.031 0.000 1.146 33 H CB 0.110 29.853 29.762 -0.031 0.000 1.382 33 H HN 0.058 nan 8.280 nan 0.000 0.577 34 D N 1.860 122.295 120.400 0.058 0.000 2.619 34 D HA 0.024 4.664 4.640 -0.001 0.000 0.224 34 D C -0.255 176.032 176.300 -0.021 0.000 1.133 34 D CA -0.158 53.857 54.000 0.025 0.000 1.017 34 D CB -0.056 40.782 40.800 0.063 0.000 1.077 34 D HN 0.207 nan 8.370 nan 0.000 0.503 35 Q N 0.171 119.916 119.800 -0.092 0.000 2.333 35 Q HA 0.606 4.945 4.340 -0.001 0.000 0.266 35 Q C 0.731 176.706 176.000 -0.042 0.000 1.053 35 Q CA -1.034 54.699 55.803 -0.117 0.000 0.890 35 Q CB 0.985 29.476 28.738 -0.411 0.000 1.337 35 Q HN 0.326 nan 8.270 nan 0.000 0.474 36 G N -0.713 108.102 108.800 0.026 0.000 2.582 36 G HA2 0.495 4.454 3.960 -0.001 0.000 0.232 36 G HA3 0.495 4.454 3.960 -0.001 0.000 0.232 36 G C -0.056 174.873 174.900 0.049 0.000 1.458 36 G CA -0.018 45.108 45.100 0.045 0.000 1.062 36 G HN 0.488 nan 8.290 nan 0.000 0.566 37 G N -2.014 106.820 108.800 0.055 0.000 2.522 37 G HA2 0.373 4.332 3.960 -0.001 0.000 0.304 37 G HA3 0.373 4.332 3.960 -0.001 0.000 0.304 37 G C 0.219 175.167 174.900 0.079 0.000 1.210 37 G CA -0.110 45.021 45.100 0.052 0.000 0.960 37 G HN 0.671 nan 8.290 nan 0.000 0.497 38 N N -0.348 118.393 118.700 0.068 0.000 2.721 38 N HA -0.170 4.569 4.740 -0.001 0.000 0.249 38 N C -0.319 175.247 175.510 0.093 0.000 1.072 38 N CA 0.957 54.049 53.050 0.070 0.000 0.710 38 N CB -1.169 37.349 38.487 0.051 0.000 0.993 38 N HN 0.681 nan 8.380 nan 0.000 0.547 39 H N 0.375 119.450 119.070 0.009 0.000 2.467 39 H HA 0.081 4.636 4.556 -0.001 0.000 0.326 39 H C 1.466 176.775 175.328 -0.030 0.000 1.094 39 H CA -0.499 55.544 56.048 -0.008 0.000 1.253 39 H CB 0.454 30.161 29.762 -0.091 0.000 1.439 39 H HN 0.356 nan 8.280 nan 0.000 0.479 40 W N 5.508 126.864 121.300 0.093 0.000 2.331 40 W HA -0.150 4.509 4.660 -0.001 0.000 0.291 40 W C 0.862 177.511 176.519 0.218 0.000 1.214 40 W CA 0.494 57.919 57.345 0.133 0.000 1.228 40 W CB -0.807 28.690 29.460 0.062 0.000 1.135 40 W HN 0.544 nan 8.180 nan 0.000 0.537 41 I N 1.501 121.456 120.570 -1.025 0.000 3.083 41 I HA -0.186 3.983 4.170 -0.001 0.000 0.273 41 I C 0.845 176.645 176.117 -0.529 0.000 1.297 41 I CA 1.735 62.260 61.300 -1.292 0.000 1.452 41 I CB -0.404 36.827 38.000 -1.281 0.000 1.078 41 I HN -0.129 nan 8.210 nan 0.000 0.484 42 D N -0.407 119.834 120.400 -0.265 0.000 2.563 42 D HA 0.016 4.655 4.640 -0.001 0.000 0.237 42 D C -0.152 176.115 176.300 -0.055 0.000 1.282 42 D CA -0.151 53.740 54.000 -0.181 0.000 0.816 42 D CB 0.154 40.859 40.800 -0.158 0.000 1.066 42 D HN 0.024 nan 8.370 nan 0.000 0.501 43 D N 0.014 120.436 120.400 0.036 0.000 2.494 43 D HA 0.092 4.731 4.640 -0.001 0.000 0.217 43 D C -0.333 176.106 176.300 0.230 0.000 1.153 43 D CA -0.159 53.919 54.000 0.130 0.000 0.954 43 D CB -0.704 40.202 40.800 0.177 0.000 1.034 43 D HN 0.291 nan 8.370 nan 0.000 0.518 44 H N 2.332 121.414 119.070 0.020 0.000 2.626 44 H HA -0.179 4.376 4.556 -0.001 0.000 0.317 44 H C -0.419 174.940 175.328 0.052 0.000 1.140 44 H CA -0.074 55.967 56.048 -0.012 0.000 1.134 44 H CB -0.805 28.886 29.762 -0.118 0.000 1.486 44 H HN 0.305 nan 8.280 nan 0.000 0.417 45 I N 1.176 121.792 120.570 0.076 0.000 2.441 45 I HA 0.269 4.439 4.170 -0.001 0.000 0.287 45 I C 1.354 177.463 176.117 -0.014 0.000 1.049 45 I CA 0.310 61.596 61.300 -0.022 0.000 1.381 45 I CB 0.672 38.598 38.000 -0.122 0.000 1.409 45 I HN 0.468 nan 8.210 nan 0.000 0.523 46 A N 5.788 128.618 122.820 0.018 0.000 2.477 46 A HA 0.530 4.849 4.320 -0.001 0.000 0.246 46 A C 0.556 178.252 177.584 0.186 0.000 1.078 46 A CA 0.110 52.204 52.037 0.096 0.000 0.770 46 A CB 0.051 19.119 19.000 0.113 0.000 1.011 46 A HN 0.905 nan 8.150 nan 0.000 0.494 47 T N -0.902 113.774 114.554 0.204 0.000 2.731 47 T HA 0.606 4.955 4.350 -0.001 0.000 0.300 47 T C -2.728 172.052 174.700 0.133 0.000 1.283 47 T CA -1.126 61.158 62.100 0.306 0.000 1.005 47 T CB 1.251 70.344 68.868 0.375 0.000 1.420 47 T HN 0.124 nan 8.240 nan 0.000 0.503 48 P HA 0.136 nan 4.420 nan 0.000 0.230 48 P C 1.074 178.298 177.300 -0.126 0.000 1.158 48 P CA 0.692 63.749 63.100 -0.072 0.000 0.769 48 P CB 0.046 31.662 31.700 -0.139 0.000 0.807 49 M N -1.972 117.543 119.600 -0.141 0.000 2.337 49 M HA 0.100 4.579 4.480 -0.001 0.000 0.256 49 M C 1.534 177.867 176.300 0.054 0.000 1.075 49 M CA 0.704 55.958 55.300 -0.076 0.000 1.024 49 M CB -0.788 31.592 32.600 -0.367 0.000 1.429 49 M HN -0.040 nan 8.290 nan 0.000 0.497 50 S N 1.071 116.784 115.700 0.023 0.000 2.547 50 S HA -0.115 4.354 4.470 -0.001 0.000 0.235 50 S C 1.562 176.027 174.600 -0.225 0.000 0.980 50 S CA 0.627 58.838 58.200 0.018 0.000 0.941 50 S CB -0.636 62.610 63.200 0.077 0.000 0.763 50 S HN 0.638 nan 8.310 nan 0.000 0.532 51 K N -0.424 119.656 120.400 -0.533 0.000 2.432 51 K HA 0.016 4.335 4.320 -0.001 0.000 0.196 51 K C -0.601 175.637 176.600 -0.602 0.000 1.038 51 K CA 0.220 55.875 56.287 -1.054 0.000 0.986 51 K CB -0.297 31.681 32.500 -0.870 0.000 0.782 51 K HN 0.396 nan 8.250 nan 0.000 0.485 52 Y N 1.679 121.892 120.300 -0.146 0.000 2.341 52 Y HA 0.222 4.771 4.550 -0.002 0.000 0.340 52 Y C 1.340 177.208 175.900 -0.054 0.000 0.997 52 Y CA -1.460 56.618 58.100 -0.037 0.000 1.149 52 Y CB 1.568 40.104 38.460 0.127 0.000 1.171 52 Y HN -0.085 nan 8.280 nan 0.000 0.494 53 R N 1.341 121.894 120.500 0.088 0.000 2.113 53 R HA -0.209 4.131 4.340 -0.001 0.000 0.244 53 R C 1.002 177.259 176.300 -0.073 0.000 1.142 53 R CA 2.408 58.517 56.100 0.015 0.000 0.953 53 R CB -0.234 30.075 30.300 0.015 0.000 0.860 53 R HN 0.724 nan 8.270 nan 0.000 0.438 54 D N -1.270 119.003 120.400 -0.211 0.000 2.264 54 D HA -0.139 4.500 4.640 -0.001 0.000 0.208 54 D C 0.375 176.285 176.300 -0.651 0.000 0.966 54 D CA 1.122 54.815 54.000 -0.511 0.000 0.864 54 D CB 0.071 40.370 40.800 -0.835 0.000 0.933 54 D HN 0.412 nan 8.370 nan 0.000 0.499 55 Y N -0.156 120.195 120.300 0.085 0.000 2.706 55 Y HA 0.229 4.779 4.550 -0.001 0.000 0.255 55 Y C 1.723 177.664 175.900 0.069 0.000 1.163 55 Y CA -0.681 57.490 58.100 0.118 0.000 1.174 55 Y CB 0.132 38.720 38.460 0.212 0.000 1.200 55 Y HN -0.108 nan 8.280 nan 0.000 0.544 56 E N 0.588 120.816 120.200 0.048 0.000 2.051 56 E HA -0.215 4.134 4.350 -0.001 0.000 0.189 56 E C 1.932 178.351 176.600 -0.302 0.000 0.979 56 E CA 1.055 57.394 56.400 -0.102 0.000 0.803 56 E CB 0.327 29.964 29.700 -0.106 0.000 0.761 56 E HN 0.338 nan 8.360 nan 0.000 0.451 57 Q N 0.678 120.358 119.800 -0.200 0.000 2.123 57 Q HA 0.029 4.368 4.340 -0.001 0.000 0.199 57 Q C 0.118 176.066 176.000 -0.087 0.000 0.966 57 Q CA 0.819 56.522 55.803 -0.166 0.000 0.845 57 Q CB 0.291 29.014 28.738 -0.024 0.000 0.907 57 Q HN 0.076 nan 8.270 nan 0.000 0.439 58 S N -0.732 114.936 115.700 -0.053 0.000 2.561 58 S HA 0.424 4.893 4.470 -0.001 0.000 0.303 58 S C 0.090 174.609 174.600 -0.135 0.000 1.110 58 S CA -0.773 57.379 58.200 -0.080 0.000 1.034 58 S CB 0.862 64.025 63.200 -0.063 0.000 1.010 58 S HN 0.374 nan 8.310 nan 0.000 0.482 59 R N 2.648 122.967 120.500 -0.302 0.000 2.148 59 R HA -0.020 4.320 4.340 -0.001 0.000 0.223 59 R C 1.923 177.651 176.300 -0.953 0.000 1.088 59 R CA 1.071 56.731 56.100 -0.734 0.000 0.985 59 R CB -0.104 29.761 30.300 -0.726 0.000 0.880 59 R HN 0.717 nan 8.270 nan 0.000 0.451 60 Q N 0.371 119.877 119.800 -0.490 0.000 2.170 60 Q HA -0.146 4.193 4.340 -0.001 0.000 0.203 60 Q C 2.223 178.067 176.000 -0.261 0.000 0.976 60 Q CA 1.946 57.537 55.803 -0.353 0.000 0.858 60 Q CB -0.052 28.570 28.738 -0.194 0.000 0.907 60 Q HN 0.362 nan 8.270 nan 0.000 0.433 61 S N 0.762 116.374 115.700 -0.147 0.000 2.399 61 S HA -0.161 4.308 4.470 -0.001 0.000 0.231 61 S C 1.599 176.307 174.600 0.181 0.000 1.022 61 S CA 1.160 59.399 58.200 0.065 0.000 0.983 61 S CB -0.521 62.775 63.200 0.161 0.000 0.803 61 S HN 0.560 nan 8.310 nan 0.000 0.480 62 F N 0.794 120.769 119.950 0.042 0.000 2.765 62 F HA 0.625 5.151 4.527 -0.001 0.000 0.302 62 F C 1.270 176.966 175.800 -0.174 0.000 1.111 62 F CA -0.710 57.135 58.000 -0.259 0.000 1.359 62 F CB -0.634 38.094 39.000 -0.454 0.000 1.097 62 F HN 0.320 nan 8.300 nan 0.000 0.577 63 G N 1.621 110.300 108.800 -0.202 0.000 2.173 63 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.174 63 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.174 63 G C 0.694 175.513 174.900 -0.134 0.000 1.025 63 G CA 0.142 45.180 45.100 -0.103 0.000 0.706 63 G HN 0.569 nan 8.290 nan 0.000 0.499 64 I N 0.516 120.822 120.570 -0.440 0.000 2.916 64 I HA -0.063 4.106 4.170 -0.001 0.000 0.267 64 I C 1.710 177.767 176.117 -0.100 0.000 1.263 64 I CA 1.615 62.746 61.300 -0.281 0.000 1.471 64 I CB 0.066 37.697 38.000 -0.615 0.000 1.089 64 I HN 0.403 nan 8.210 nan 0.000 0.468 65 N N -0.019 118.621 118.700 -0.100 0.000 2.204 65 N HA -0.041 4.698 4.740 -0.001 0.000 0.219 65 N C 1.207 176.720 175.510 0.005 0.000 1.151 65 N CA 0.627 53.668 53.050 -0.016 0.000 0.867 65 N CB -0.515 37.949 38.487 -0.038 0.000 1.043 65 N HN 0.277 nan 8.380 nan 0.000 0.516 66 V N -1.765 118.146 119.914 -0.004 0.000 2.667 66 V HA 0.008 4.127 4.120 -0.001 0.000 0.252 66 V C 1.870 177.965 176.094 0.001 0.000 1.065 66 V CA 0.874 63.173 62.300 -0.002 0.000 1.083 66 V CB -0.744 31.073 31.823 -0.011 0.000 0.692 66 V HN 0.155 nan 8.190 nan 0.000 0.468 67 L N 1.015 122.247 121.223 0.015 0.000 2.068 67 L HA 0.452 4.791 4.340 -0.001 0.000 0.204 67 L C 1.757 178.651 176.870 0.040 0.000 1.076 67 L CA 1.047 55.893 54.840 0.010 0.000 0.753 67 L CB -1.262 40.808 42.059 0.019 0.000 0.910 67 L HN 0.656 nan 8.230 nan 0.000 0.439 68 G N -0.061 108.789 108.800 0.083 0.000 2.698 68 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.233 68 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.233 68 G C -0.229 174.755 174.900 0.139 0.000 1.352 68 G CA -0.323 44.853 45.100 0.126 0.000 0.879 68 G HN 0.123 nan 8.290 nan 0.000 0.567 69 T N 0.766 115.423 114.554 0.172 0.000 2.806 69 T HA 0.517 4.866 4.350 -0.001 0.000 0.290 69 T C 0.172 174.997 174.700 0.209 0.000 0.966 69 T CA 0.079 62.268 62.100 0.149 0.000 1.060 69 T CB 1.513 70.444 68.868 0.105 0.000 0.927 69 T HN 1.059 nan 8.240 nan 0.000 0.485 70 L N 4.462 125.783 121.223 0.165 0.000 2.309 70 L HA 0.726 5.065 4.340 -0.001 0.000 0.282 70 L C -1.277 175.706 176.870 0.189 0.000 1.036 70 L CA -0.407 54.554 54.840 0.201 0.000 0.806 70 L CB 0.633 42.785 42.059 0.154 0.000 1.220 70 L HN 0.553 nan 8.230 nan 0.000 0.429 71 I N 5.266 125.999 120.570 0.272 0.000 2.466 71 I HA 0.499 4.668 4.170 -0.001 0.000 0.289 71 I C -0.910 175.426 176.117 0.364 0.000 1.026 71 I CA -0.422 61.067 61.300 0.316 0.000 1.078 71 I CB 2.105 40.320 38.000 0.359 0.000 1.249 71 I HN 0.278 nan 8.210 nan 0.000 0.429 72 V N 5.587 125.692 119.914 0.318 0.000 2.487 72 V HA 0.474 4.593 4.120 -0.001 0.000 0.298 72 V C -0.366 175.945 176.094 0.362 0.000 1.028 72 V CA -0.620 61.844 62.300 0.273 0.000 0.860 72 V CB 1.816 33.739 31.823 0.166 0.000 0.991 72 V HN 0.725 nan 8.190 nan 0.000 0.427 73 E N 3.481 123.907 120.200 0.376 0.000 2.210 73 E HA 0.676 5.025 4.350 -0.001 0.000 0.266 73 E C -1.811 174.956 176.600 0.279 0.000 0.883 73 E CA -0.503 56.142 56.400 0.409 0.000 0.761 73 E CB 2.339 32.373 29.700 0.558 0.000 1.156 73 E HN 0.458 nan 8.360 nan 0.000 0.412 74 V N 3.996 124.062 119.914 0.253 0.000 2.459 74 V HA 0.322 4.441 4.120 -0.001 0.000 0.295 74 V C -0.336 175.871 176.094 0.189 0.000 1.029 74 V CA -0.634 61.781 62.300 0.192 0.000 0.874 74 V CB 1.583 33.498 31.823 0.153 0.000 0.985 74 V HN 0.714 nan 8.190 nan 0.000 0.438 75 E N 3.478 123.783 120.200 0.175 0.000 2.187 75 E HA 0.738 5.088 4.350 -0.001 0.000 0.268 75 E C -0.440 176.215 176.600 0.092 0.000 0.896 75 E CA -0.567 55.926 56.400 0.156 0.000 0.766 75 E CB 1.867 31.690 29.700 0.205 0.000 1.142 75 E HN 0.834 nan 8.360 nan 0.000 0.408 76 A N 3.586 126.452 122.820 0.076 0.000 2.252 76 A HA 0.232 4.551 4.320 -0.001 0.000 0.305 76 A C 0.597 178.192 177.584 0.018 0.000 1.097 76 A CA -0.404 51.657 52.037 0.040 0.000 0.849 76 A CB 0.598 19.630 19.000 0.053 0.000 1.142 76 A HN 0.892 nan 8.150 nan 0.000 0.499 77 E N 0.561 120.758 120.200 -0.005 0.000 2.472 77 E HA -0.143 4.206 4.350 -0.001 0.000 0.200 77 E C 0.391 176.997 176.600 0.011 0.000 1.046 77 E CA 0.854 57.246 56.400 -0.013 0.000 0.871 77 E CB -0.040 29.646 29.700 -0.024 0.000 0.806 77 E HN 0.702 nan 8.360 nan 0.000 0.533 78 N N 0.509 119.224 118.700 0.023 0.000 2.276 78 N HA -0.004 4.735 4.740 -0.001 0.000 0.212 78 N C 0.056 175.589 175.510 0.038 0.000 1.127 78 N CA -0.005 53.062 53.050 0.028 0.000 0.834 78 N CB 0.138 38.642 38.487 0.029 0.000 1.014 78 N HN 0.011 nan 8.380 nan 0.000 0.491 79 R N -1.709 118.819 120.500 0.047 0.000 3.922 79 R HA -0.191 4.148 4.340 -0.001 0.000 0.447 79 R C -0.420 175.923 176.300 0.072 0.000 1.035 79 R CA 1.112 57.248 56.100 0.062 0.000 1.289 79 R CB -1.747 28.584 30.300 0.052 0.000 1.906 79 R HN 0.477 nan 8.270 nan 0.000 0.540 80 Q N 0.903 120.745 119.800 0.070 0.000 2.354 80 Q HA 0.295 4.634 4.340 -0.001 0.000 0.244 80 Q C 0.467 176.533 176.000 0.110 0.000 0.969 80 Q CA 0.669 56.521 55.803 0.082 0.000 0.885 80 Q CB 1.319 30.100 28.738 0.072 0.000 1.241 80 Q HN 0.244 nan 8.270 nan 0.000 0.461 81 T N -2.176 112.458 114.554 0.133 0.000 2.916 81 T HA 0.810 5.159 4.350 -0.001 0.000 0.292 81 T C -0.300 174.536 174.700 0.226 0.000 1.055 81 T CA -0.852 61.355 62.100 0.178 0.000 1.009 81 T CB 1.933 70.911 68.868 0.183 0.000 1.118 81 T HN 0.629 nan 8.240 nan 0.000 0.497 82 G N 0.979 109.941 108.800 0.271 0.000 2.638 82 G HA2 0.732 4.691 3.960 -0.001 0.000 0.302 82 G HA3 0.732 4.691 3.960 -0.001 0.000 0.302 82 G C -1.385 173.761 174.900 0.411 0.000 1.365 82 G CA -1.100 44.187 45.100 0.313 0.000 0.987 82 G HN 1.049 nan 8.290 nan 0.000 0.495 83 F N 0.110 120.192 119.950 0.220 0.000 2.715 83 F HA 0.931 5.457 4.527 -0.002 0.000 0.318 83 F C -0.497 175.414 175.800 0.185 0.000 1.141 83 F CA -1.111 57.007 58.000 0.196 0.000 0.950 83 F CB 1.588 40.698 39.000 0.182 0.000 1.374 83 F HN 1.022 nan 8.300 nan 0.000 0.477 84 A N 0.824 123.607 122.820 -0.062 0.000 2.610 84 A HA 0.781 5.100 4.320 -0.001 0.000 0.291 84 A C -1.589 175.931 177.584 -0.106 0.000 1.086 84 A CA -0.240 51.572 52.037 -0.376 0.000 0.677 84 A CB 1.270 19.935 19.000 -0.558 0.000 1.278 84 A HN 2.099 nan 8.150 nan 0.000 0.414 85 V N -1.861 117.883 119.914 -0.283 0.000 3.001 85 V HA 1.018 5.137 4.120 -0.001 0.000 0.314 85 V C -0.209 175.705 176.094 -0.300 0.000 1.099 85 V CA 0.074 62.267 62.300 -0.179 0.000 0.989 85 V CB 1.335 33.045 31.823 -0.189 0.000 1.040 85 V HN 1.853 nan 8.190 nan 0.000 0.434 86 S N 0.683 116.307 115.700 -0.126 0.000 2.757 86 S HA 0.649 5.118 4.470 -0.001 0.000 0.285 86 S C -0.743 173.924 174.600 0.113 0.000 1.196 86 S CA -0.102 58.103 58.200 0.009 0.000 0.856 86 S CB 1.914 65.174 63.200 0.100 0.000 1.212 86 S HN 1.089 nan 8.310 nan 0.000 0.516 87 T N 1.848 116.560 114.554 0.263 0.000 2.753 87 T HA 0.735 5.084 4.350 -0.001 0.000 0.297 87 T C 0.421 175.178 174.700 0.095 0.000 0.981 87 T CA 0.320 62.534 62.100 0.190 0.000 0.956 87 T CB 0.903 69.918 68.868 0.245 0.000 0.936 87 T HN 0.977 nan 8.240 nan 0.000 0.463 88 A N 2.437 125.307 122.820 0.083 0.000 2.025 88 A HA 0.611 4.931 4.320 -0.001 0.000 0.162 88 A C 1.252 178.860 177.584 0.040 0.000 1.995 88 A CA 0.632 52.701 52.037 0.054 0.000 1.547 88 A CB -0.695 18.349 19.000 0.073 0.000 1.629 88 A HN 1.504 nan 8.150 nan 0.000 0.309 89 G N 0.420 109.268 108.800 0.080 0.000 2.596 89 G HA2 -0.410 3.549 3.960 -0.001 0.000 0.295 89 G HA3 -0.410 3.549 3.960 -0.001 0.000 0.295 89 G C 0.805 175.649 174.900 -0.093 0.000 1.240 89 G CA 1.387 46.505 45.100 0.031 0.000 0.985 89 G HN 0.946 nan 8.290 nan 0.000 0.555 90 E N -0.280 119.595 120.200 -0.541 0.000 2.097 90 E HA -0.145 4.204 4.350 -0.001 0.000 0.196 90 E C 2.843 179.465 176.600 0.036 0.000 1.000 90 E CA 1.954 58.080 56.400 -0.457 0.000 0.804 90 E CB -0.194 29.090 29.700 -0.693 0.000 0.740 90 E HN 0.564 nan 8.360 nan 0.000 0.454 91 M N -0.490 119.109 119.600 -0.002 0.000 2.175 91 M HA -0.060 4.419 4.480 -0.001 0.000 0.264 91 M C 2.382 178.766 176.300 0.139 0.000 1.063 91 M CA 1.352 56.693 55.300 0.068 0.000 1.119 91 M CB -0.260 32.330 32.600 -0.017 0.000 1.377 91 M HN 0.247 nan 8.290 nan 0.000 0.415 92 G N -0.178 108.689 108.800 0.111 0.000 2.442 92 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.219 92 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.219 92 G C 1.495 176.495 174.900 0.167 0.000 1.141 92 G CA 1.015 46.195 45.100 0.132 0.000 0.763 92 G HN 0.469 nan 8.290 nan 0.000 0.554 93 C N -0.319 119.114 119.300 0.222 0.000 2.425 93 C HA 0.026 4.485 4.460 -0.001 0.000 0.277 93 C C 2.396 177.501 174.990 0.191 0.000 1.280 93 C CA 0.622 59.799 59.018 0.266 0.000 1.744 93 C CB -1.223 26.765 27.740 0.415 0.000 1.989 93 C HN 0.485 nan 8.230 nan 0.000 0.491 94 F N 1.659 121.580 119.950 -0.048 0.000 2.069 94 F HA -0.140 4.386 4.527 -0.002 0.000 0.298 94 F C 2.177 177.837 175.800 -0.233 0.000 1.113 94 F CA 1.766 59.450 58.000 -0.526 0.000 1.214 94 F CB -0.357 38.341 39.000 -0.504 0.000 0.978 94 F HN 0.132 nan 8.300 nan 0.000 0.474 95 I N -0.478 120.230 120.570 0.231 0.000 2.208 95 I HA -0.327 3.842 4.170 -0.001 0.000 0.245 95 I C 2.219 178.372 176.117 0.061 0.000 1.097 95 I CA 1.334 62.768 61.300 0.223 0.000 1.363 95 I CB -0.654 37.505 38.000 0.265 0.000 1.051 95 I HN 0.057 nan 8.210 nan 0.000 0.413 96 V N 0.460 120.386 119.914 0.020 0.000 2.270 96 V HA -0.207 3.912 4.120 -0.001 0.000 0.245 96 V C 2.418 178.426 176.094 -0.144 0.000 1.043 96 V CA 1.739 64.022 62.300 -0.028 0.000 1.014 96 V CB -0.603 31.229 31.823 0.014 0.000 0.645 96 V HN 0.393 nan 8.190 nan 0.000 0.447 97 E N 0.052 120.149 120.200 -0.172 0.000 2.152 97 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 97 E C 1.841 178.199 176.600 -0.404 0.000 0.983 97 E CA 0.713 56.963 56.400 -0.250 0.000 0.818 97 E CB -0.049 29.622 29.700 -0.048 0.000 0.758 97 E HN 0.462 nan 8.360 nan 0.000 0.467 98 K N -0.813 119.296 120.400 -0.485 0.000 2.355 98 K HA 0.124 4.444 4.320 -0.001 0.000 0.198 98 K C 1.187 177.617 176.600 -0.283 0.000 1.039 98 K CA 0.253 56.221 56.287 -0.533 0.000 1.075 98 K CB 0.821 32.666 32.500 -1.092 0.000 0.870 98 K HN 0.330 nan 8.250 nan 0.000 0.540 99 H N -0.757 118.144 119.070 -0.281 0.000 1.985 99 H HA 0.227 4.782 4.556 -0.002 0.000 0.159 99 H C 1.564 176.823 175.328 -0.115 0.000 1.010 99 H CA -0.059 55.914 56.048 -0.124 0.000 1.075 99 H CB 0.411 30.210 29.762 0.062 0.000 0.963 99 H HN -0.149 nan 8.280 nan 0.000 0.330 100 L N 2.592 123.787 121.223 -0.047 0.000 2.265 100 L HA -0.179 4.160 4.340 -0.001 0.000 0.215 100 L C 2.219 179.037 176.870 -0.085 0.000 1.117 100 L CA 1.146 55.973 54.840 -0.022 0.000 0.782 100 L CB -0.634 41.431 42.059 0.010 0.000 0.914 100 L HN 0.534 nan 8.230 nan 0.000 0.441 101 N N 2.279 120.859 118.700 -0.200 0.000 2.205 101 N HA -0.279 4.460 4.740 -0.001 0.000 0.186 101 N C 1.795 177.165 175.510 -0.233 0.000 1.015 101 N CA 1.790 54.699 53.050 -0.235 0.000 0.862 101 N CB -0.553 37.624 38.487 -0.516 0.000 0.986 101 N HN 0.548 nan 8.380 nan 0.000 0.429 102 R N -0.512 119.754 120.500 -0.390 0.000 2.193 102 R HA -0.024 4.315 4.340 -0.001 0.000 0.229 102 R C 0.865 176.889 176.300 -0.460 0.000 1.110 102 R CA 1.061 56.886 56.100 -0.458 0.000 0.988 102 R CB -0.527 29.415 30.300 -0.597 0.000 0.871 102 R HN 0.171 nan 8.270 nan 0.000 0.458 103 F N 0.378 120.300 119.950 -0.047 0.000 2.714 103 F HA 0.322 4.847 4.527 -0.003 0.000 0.294 103 F C 1.822 177.596 175.800 -0.044 0.000 1.120 103 F CA -0.277 57.695 58.000 -0.047 0.000 1.398 103 F CB 0.055 39.014 39.000 -0.069 0.000 1.120 103 F HN -0.114 nan 8.300 nan 0.000 0.589 104 I N -0.462 120.159 120.570 0.084 0.000 2.364 104 I HA -0.034 4.135 4.170 -0.001 0.000 0.241 104 I C 0.599 176.730 176.117 0.024 0.000 1.082 104 I CA 0.387 61.718 61.300 0.052 0.000 1.401 104 I CB -0.317 37.709 38.000 0.044 0.000 1.126 104 I HN -0.129 nan 8.210 nan 0.000 0.429 105 E N 1.323 121.531 120.200 0.013 0.000 2.376 105 E HA 0.231 4.580 4.350 -0.001 0.000 0.266 105 E C 0.790 177.386 176.600 -0.007 0.000 1.009 105 E CA 0.715 57.122 56.400 0.011 0.000 0.902 105 E CB 0.494 30.219 29.700 0.041 0.000 0.972 105 E HN 0.511 nan 8.360 nan 0.000 0.439 106 G N 2.598 111.387 108.800 -0.018 0.000 2.213 106 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.236 106 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.236 106 G C 0.287 175.177 174.900 -0.017 0.000 0.991 106 G CA -0.268 44.819 45.100 -0.020 0.000 0.629 106 G HN 0.341 nan 8.290 nan 0.000 0.517 107 K N 0.192 120.582 120.400 -0.015 0.000 2.102 107 K HA 0.529 4.849 4.320 -0.001 0.000 0.244 107 K C 0.719 177.296 176.600 -0.038 0.000 1.021 107 K CA -0.199 56.073 56.287 -0.025 0.000 0.913 107 K CB 1.105 33.589 32.500 -0.027 0.000 1.062 107 K HN 0.372 nan 8.250 nan 0.000 0.485 108 C N 1.052 120.318 119.300 -0.055 0.000 2.534 108 C HA 0.113 4.572 4.460 -0.001 0.000 0.385 108 C C 2.297 177.229 174.990 -0.096 0.000 1.264 108 C CA -0.571 58.411 59.018 -0.059 0.000 2.342 108 C CB -0.214 27.486 27.740 -0.066 0.000 2.564 108 C HN 0.607 nan 8.230 nan 0.000 0.603 109 V N 3.116 122.994 119.914 -0.059 0.000 3.026 109 V HA -0.045 4.074 4.120 -0.001 0.000 0.265 109 V C 1.791 177.679 176.094 -0.345 0.000 1.121 109 V CA 2.266 64.524 62.300 -0.070 0.000 1.142 109 V CB -1.375 30.511 31.823 0.105 0.000 0.730 109 V HN 1.009 nan 8.190 nan 0.000 0.503 110 S N -0.939 114.489 115.700 -0.454 0.000 2.548 110 S HA 0.057 4.526 4.470 -0.001 0.000 0.215 110 S C 0.887 175.112 174.600 -0.624 0.000 0.976 110 S CA 0.258 57.896 58.200 -0.935 0.000 0.908 110 S CB -0.359 62.486 63.200 -0.591 0.000 0.781 110 S HN 0.563 nan 8.310 nan 0.000 0.519 111 D N 1.950 122.125 120.400 -0.375 0.000 2.841 111 D HA 0.274 4.913 4.640 -0.001 0.000 0.244 111 D C 1.150 177.289 176.300 -0.268 0.000 1.228 111 D CA -0.010 53.837 54.000 -0.255 0.000 0.872 111 D CB -0.205 40.508 40.800 -0.144 0.000 1.082 111 D HN 0.475 nan 8.370 nan 0.000 0.457 112 I N 0.185 120.496 120.570 -0.432 0.000 2.142 112 I HA -0.285 3.884 4.170 -0.001 0.000 0.240 112 I C 2.309 178.306 176.117 -0.200 0.000 1.078 112 I CA 1.088 62.134 61.300 -0.424 0.000 1.343 112 I CB -0.077 37.392 38.000 -0.886 0.000 1.046 112 I HN -0.049 nan 8.210 nan 0.000 0.405 113 K N 0.338 120.638 120.400 -0.165 0.000 2.147 113 K HA -0.197 4.123 4.320 -0.001 0.000 0.205 113 K C 2.079 178.687 176.600 0.014 0.000 1.049 113 K CA 1.194 57.468 56.287 -0.022 0.000 0.936 113 K CB -0.265 32.228 32.500 -0.012 0.000 0.722 113 K HN 0.150 nan 8.250 nan 0.000 0.446 114 L N 1.524 122.722 121.223 -0.042 0.000 2.005 114 L HA -0.126 4.214 4.340 -0.001 0.000 0.207 114 L C 1.903 178.756 176.870 -0.030 0.000 1.072 114 L CA 1.549 56.369 54.840 -0.034 0.000 0.744 114 L CB -0.287 41.743 42.059 -0.049 0.000 0.895 114 L HN 0.107 nan 8.230 nan 0.000 0.433 115 I N -0.931 119.622 120.570 -0.028 0.000 2.264 115 I HA -0.345 3.824 4.170 -0.001 0.000 0.248 115 I C 2.507 178.605 176.117 -0.031 0.000 1.111 115 I CA 1.559 62.850 61.300 -0.015 0.000 1.382 115 I CB -0.478 37.522 38.000 -0.001 0.000 1.060 115 I HN 0.459 nan 8.210 nan 0.000 0.418 116 H N 0.793 119.821 119.070 -0.071 0.000 2.290 116 H HA -0.255 4.300 4.556 -0.001 0.000 0.298 116 H C 1.910 177.186 175.328 -0.086 0.000 1.087 116 H CA 2.394 58.412 56.048 -0.050 0.000 1.291 116 H CB -0.143 29.622 29.762 0.004 0.000 1.369 116 H HN 0.287 nan 8.280 nan 0.000 0.492 117 D N -0.626 119.763 120.400 -0.018 0.000 2.117 117 D HA -0.156 4.483 4.640 -0.001 0.000 0.197 117 D C 2.083 178.252 176.300 -0.219 0.000 0.987 117 D CA 1.379 55.325 54.000 -0.090 0.000 0.829 117 D CB 0.004 40.786 40.800 -0.029 0.000 0.961 117 D HN 0.552 nan 8.370 nan 0.000 0.460 118 Q N -0.722 118.912 119.800 -0.278 0.000 2.119 118 Q HA -0.117 4.222 4.340 -0.001 0.000 0.201 118 Q C 2.353 177.891 176.000 -0.770 0.000 0.972 118 Q CA 0.953 56.439 55.803 -0.528 0.000 0.847 118 Q CB -0.107 28.293 28.738 -0.565 0.000 0.903 118 Q HN 0.455 nan 8.270 nan 0.000 0.433 119 M N 0.316 119.578 119.600 -0.563 0.000 2.086 119 M HA -0.167 4.312 4.480 -0.001 0.000 0.261 119 M C 2.197 178.258 176.300 -0.397 0.000 1.067 119 M CA 1.404 56.422 55.300 -0.470 0.000 1.116 119 M CB -0.346 32.079 32.600 -0.291 0.000 1.348 119 M HN 0.225 nan 8.290 nan 0.000 0.407 120 L N -0.466 120.534 121.223 -0.372 0.000 2.046 120 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 120 L C 2.710 179.452 176.870 -0.213 0.000 1.077 120 L CA 1.388 56.059 54.840 -0.281 0.000 0.747 120 L CB -1.228 40.680 42.059 -0.252 0.000 0.896 120 L HN 0.407 nan 8.230 nan 0.000 0.432 121 G N -0.616 108.053 108.800 -0.218 0.000 2.402 121 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.216 121 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.216 121 G C 1.699 176.549 174.900 -0.083 0.000 1.162 121 G CA 0.689 45.705 45.100 -0.139 0.000 0.777 121 G HN 0.456 nan 8.290 nan 0.000 0.539 122 A N 0.417 123.137 122.820 -0.166 0.000 2.066 122 A HA 0.135 4.455 4.320 -0.001 0.000 0.218 122 A C 2.389 180.127 177.584 0.258 0.000 1.157 122 A CA 2.190 54.273 52.037 0.077 0.000 0.670 122 A CB -0.435 18.584 19.000 0.030 0.000 0.804 122 A HN 0.507 nan 8.150 nan 0.000 0.453 123 T N -4.265 110.257 114.554 -0.054 0.000 3.054 123 T HA 0.185 4.534 4.350 -0.001 0.000 0.255 123 T C 1.570 176.003 174.700 -0.446 0.000 1.035 123 T CA 0.587 62.463 62.100 -0.374 0.000 0.941 123 T CB -0.278 68.228 68.868 -0.604 0.000 1.026 123 T HN 0.281 nan 8.240 nan 0.000 0.533 124 M N 1.572 121.086 119.600 -0.144 0.000 2.195 124 M HA -0.137 4.342 4.480 -0.001 0.000 0.260 124 M C 1.933 178.218 176.300 -0.025 0.000 1.066 124 M CA 1.901 57.151 55.300 -0.083 0.000 1.089 124 M CB -0.316 32.285 32.600 0.001 0.000 1.377 124 M HN 0.632 nan 8.290 nan 0.000 0.411 125 Y N -0.727 119.585 120.300 0.020 0.000 2.571 125 Y HA -0.130 4.421 4.550 0.001 0.000 0.294 125 Y C 1.155 177.153 175.900 0.163 0.000 1.141 125 Y CA 0.876 59.031 58.100 0.091 0.000 1.308 125 Y CB -0.971 37.566 38.460 0.127 0.000 1.002 125 Y HN 0.502 nan 8.280 nan 0.000 0.551 126 Y N -1.562 118.448 120.300 -0.482 0.000 2.666 126 Y HA 0.370 4.919 4.550 -0.002 0.000 0.260 126 Y C 1.637 177.412 175.900 -0.207 0.000 1.089 126 Y CA -0.273 57.614 58.100 -0.356 0.000 1.246 126 Y CB -0.564 37.575 38.460 -0.535 0.000 1.353 126 Y HN 0.065 nan 8.280 nan 0.000 0.558 127 S N 0.199 115.620 115.700 -0.464 0.000 2.436 127 S HA 0.194 4.663 4.470 -0.001 0.000 0.228 127 S C 1.947 176.463 174.600 -0.140 0.000 1.014 127 S CA 0.795 58.792 58.200 -0.339 0.000 0.950 127 S CB -0.848 62.150 63.200 -0.337 0.000 0.784 127 S HN 1.310 nan 8.310 nan 0.000 0.504 128 G N 1.629 110.373 108.800 -0.093 0.000 2.168 128 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.257 128 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.257 128 G C 0.579 175.456 174.900 -0.037 0.000 0.997 128 G CA 0.906 45.977 45.100 -0.048 0.000 0.708 128 G HN 1.939 nan 8.290 nan 0.000 0.520 129 S N -4.113 111.562 115.700 -0.040 0.000 3.358 129 S HA 0.221 4.690 4.470 -0.001 0.000 0.309 129 S C 1.733 176.345 174.600 0.021 0.000 1.247 129 S CA 1.755 59.953 58.200 -0.003 0.000 0.961 129 S CB -1.599 61.616 63.200 0.024 0.000 1.074 129 S HN 2.908 nan 8.310 nan 0.000 0.625 130 G N -1.477 107.321 108.800 -0.003 0.000 2.322 130 G HA2 0.705 4.664 3.960 -0.001 0.000 0.295 130 G HA3 0.705 4.664 3.960 -0.001 0.000 0.295 130 G C 0.288 175.177 174.900 -0.017 0.000 1.369 130 G CA 0.868 45.980 45.100 0.020 0.000 0.821 130 G HN 2.311 nan 8.290 nan 0.000 0.536 131 G N -1.059 107.730 108.800 -0.019 0.000 2.598 131 G HA2 0.121 4.080 3.960 -0.001 0.000 0.244 131 G HA3 0.121 4.080 3.960 -0.001 0.000 0.244 131 G C 1.205 176.063 174.900 -0.070 0.000 1.302 131 G CA 0.585 45.637 45.100 -0.080 0.000 0.903 131 G HN 2.209 nan 8.290 nan 0.000 0.575 132 L N 0.227 121.403 121.223 -0.078 0.000 2.040 132 L HA -0.197 4.143 4.340 -0.001 0.000 0.228 132 L C 3.087 179.956 176.870 -0.002 0.000 1.092 132 L CA 3.595 58.409 54.840 -0.042 0.000 0.805 132 L CB -0.990 41.052 42.059 -0.029 0.000 0.905 132 L HN 0.966 nan 8.230 nan 0.000 0.443 133 V N -0.993 118.918 119.914 -0.006 0.000 2.427 133 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 133 V C 2.462 178.539 176.094 -0.029 0.000 1.051 133 V CA 1.997 64.287 62.300 -0.016 0.000 1.048 133 V CB -0.628 31.129 31.823 -0.109 0.000 0.666 133 V HN 0.597 nan 8.190 nan 0.000 0.456 134 M N 0.869 120.460 119.600 -0.016 0.000 2.254 134 M HA -0.049 4.430 4.480 -0.001 0.000 0.265 134 M C 1.782 178.137 176.300 0.090 0.000 1.066 134 M CA 1.510 56.826 55.300 0.027 0.000 1.123 134 M CB -0.860 31.779 32.600 0.064 0.000 1.388 134 M HN 0.301 nan 8.290 nan 0.000 0.425 135 N N -0.620 118.139 118.700 0.098 0.000 2.120 135 N HA -0.118 4.621 4.740 -0.001 0.000 0.188 135 N C 1.559 177.147 175.510 0.131 0.000 1.024 135 N CA 2.022 55.173 53.050 0.169 0.000 0.852 135 N CB -0.843 37.700 38.487 0.093 0.000 1.003 135 N HN 0.409 nan 8.380 nan 0.000 0.424 136 T N 1.435 116.039 114.554 0.083 0.000 2.737 136 T HA 0.041 4.390 4.350 -0.001 0.000 0.265 136 T C 2.083 176.819 174.700 0.061 0.000 1.038 136 T CA 0.648 62.794 62.100 0.076 0.000 1.144 136 T CB -0.216 68.697 68.868 0.075 0.000 0.866 136 T HN 0.162 nan 8.240 nan 0.000 0.434 137 I N 1.302 121.893 120.570 0.036 0.000 2.208 137 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 137 I C 2.688 178.852 176.117 0.079 0.000 1.097 137 I CA 1.038 62.347 61.300 0.015 0.000 1.363 137 I CB -0.410 37.556 38.000 -0.056 0.000 1.051 137 I HN 0.194 nan 8.210 nan 0.000 0.413 138 S N -0.190 115.576 115.700 0.110 0.000 2.370 138 S HA -0.252 4.217 4.470 -0.001 0.000 0.226 138 S C 2.164 176.804 174.600 0.067 0.000 1.033 138 S CA 1.495 59.774 58.200 0.132 0.000 1.011 138 S CB -0.687 62.604 63.200 0.152 0.000 0.852 138 S HN 0.580 nan 8.310 nan 0.000 0.457 139 C N 1.343 120.669 119.300 0.044 0.000 2.429 139 C HA -0.019 4.440 4.460 -0.001 0.000 0.277 139 C C 2.631 177.633 174.990 0.020 0.000 1.262 139 C CA 0.698 59.705 59.018 -0.018 0.000 1.733 139 C CB -1.300 26.451 27.740 0.020 0.000 2.010 139 C HN 0.413 nan 8.230 nan 0.000 0.483 140 V N 0.687 120.641 119.914 0.067 0.000 2.295 140 V HA -0.200 3.919 4.120 -0.001 0.000 0.246 140 V C 2.167 178.332 176.094 0.118 0.000 1.049 140 V CA 2.620 64.972 62.300 0.087 0.000 1.024 140 V CB -0.868 31.000 31.823 0.074 0.000 0.648 140 V HN 0.599 nan 8.190 nan 0.000 0.447 141 D N -0.038 120.458 120.400 0.161 0.000 2.116 141 D HA -0.198 4.441 4.640 -0.001 0.000 0.193 141 D C 2.039 178.531 176.300 0.320 0.000 0.998 141 D CA 1.578 55.729 54.000 0.253 0.000 0.836 141 D CB -0.164 40.844 40.800 0.347 0.000 0.951 141 D HN 0.382 nan 8.370 nan 0.000 0.449 142 L N -0.077 121.267 121.223 0.203 0.000 2.093 142 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 142 L C 2.607 179.639 176.870 0.269 0.000 1.085 142 L CA 1.037 55.991 54.840 0.190 0.000 0.755 142 L CB -0.521 41.343 42.059 -0.324 0.000 0.904 142 L HN 0.106 nan 8.230 nan 0.000 0.435 143 A N 0.086 122.989 122.820 0.138 0.000 1.933 143 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 143 A C 2.252 179.965 177.584 0.215 0.000 1.175 143 A CA 1.326 53.468 52.037 0.175 0.000 0.628 143 A CB -0.592 18.506 19.000 0.163 0.000 0.814 143 A HN 0.355 nan 8.150 nan 0.000 0.444 144 L N -2.820 118.506 121.223 0.172 0.000 2.056 144 L HA -0.190 4.149 4.340 -0.001 0.000 0.207 144 L C 2.569 179.489 176.870 0.083 0.000 1.078 144 L CA 1.243 56.125 54.840 0.071 0.000 0.749 144 L CB -0.482 41.547 42.059 -0.050 0.000 0.901 144 L HN 0.597 nan 8.230 nan 0.000 0.433 145 W N 0.531 121.943 121.300 0.186 0.000 2.388 145 W HA -0.204 4.456 4.660 -0.001 0.000 0.294 145 W C 2.362 178.929 176.519 0.080 0.000 1.212 145 W CA 1.272 58.719 57.345 0.171 0.000 1.271 145 W CB -0.192 29.384 29.460 0.194 0.000 1.126 145 W HN 0.221 nan 8.180 nan 0.000 0.535 146 D N 0.027 120.666 120.400 0.397 0.000 2.097 146 D HA -0.200 4.439 4.640 -0.001 0.000 0.195 146 D C 2.040 178.443 176.300 0.172 0.000 0.989 146 D CA 1.317 55.463 54.000 0.243 0.000 0.827 146 D CB -0.303 40.733 40.800 0.395 0.000 0.966 146 D HN -0.005 nan 8.370 nan 0.000 0.456 147 L N -0.411 120.935 121.223 0.204 0.000 2.017 147 L HA -0.036 4.303 4.340 -0.001 0.000 0.208 147 L C 2.013 178.986 176.870 0.172 0.000 1.073 147 L CA 1.542 56.486 54.840 0.173 0.000 0.745 147 L CB -1.005 41.152 42.059 0.164 0.000 0.894 147 L HN 0.089 nan 8.230 nan 0.000 0.432 148 F N 0.616 120.562 119.950 -0.006 0.000 2.134 148 F HA -0.041 4.485 4.527 -0.000 0.000 0.299 148 F C 2.206 177.998 175.800 -0.013 0.000 1.097 148 F CA 1.516 59.490 58.000 -0.044 0.000 1.264 148 F CB -1.089 37.826 39.000 -0.141 0.000 1.001 148 F HN 0.144 nan 8.300 nan 0.000 0.479 149 G N -0.159 108.614 108.800 -0.045 0.000 2.408 149 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.217 149 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.217 149 G C 1.783 176.596 174.900 -0.145 0.000 1.150 149 G CA 0.679 45.669 45.100 -0.183 0.000 0.776 149 G HN 0.353 nan 8.290 nan 0.000 0.542 150 K N -0.122 120.248 120.400 -0.049 0.000 2.155 150 K HA 0.079 4.399 4.320 -0.001 0.000 0.203 150 K C 2.510 179.095 176.600 -0.026 0.000 1.052 150 K CA 0.563 56.842 56.287 -0.013 0.000 0.948 150 K CB -0.037 32.496 32.500 0.055 0.000 0.728 150 K HN 0.207 nan 8.250 nan 0.000 0.448 151 V N 0.745 120.640 119.914 -0.032 0.000 2.323 151 V HA -0.188 3.931 4.120 -0.001 0.000 0.244 151 V C 2.144 178.181 176.094 -0.094 0.000 1.041 151 V CA 1.384 63.667 62.300 -0.028 0.000 1.025 151 V CB -0.148 31.690 31.823 0.026 0.000 0.656 151 V HN 0.055 nan 8.190 nan 0.000 0.451 152 V N 0.282 120.067 119.914 -0.216 0.000 2.515 152 V HA 0.068 4.187 4.120 -0.001 0.000 0.250 152 V C 1.798 177.797 176.094 -0.159 0.000 1.058 152 V CA 1.653 63.804 62.300 -0.249 0.000 1.064 152 V CB -0.838 30.707 31.823 -0.464 0.000 0.675 152 V HN 0.823 nan 8.190 nan 0.000 0.461 153 G N -0.058 108.661 108.800 -0.135 0.000 2.142 153 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.225 153 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.225 153 G C -0.274 174.565 174.900 -0.101 0.000 1.015 153 G CA 0.158 45.205 45.100 -0.089 0.000 0.716 153 G HN 0.408 nan 8.290 nan 0.000 0.508 154 L N -0.575 120.563 121.223 -0.142 0.000 2.371 154 L HA 0.561 4.900 4.340 -0.001 0.000 0.262 154 L C -2.367 174.407 176.870 -0.160 0.000 1.006 154 L CA -2.622 52.126 54.840 -0.153 0.000 0.818 154 L CB 2.639 44.588 42.059 -0.184 0.000 1.354 154 L HN -0.145 nan 8.230 nan 0.000 0.415 155 P HA 0.080 nan 4.420 nan 0.000 0.275 155 P C 0.768 177.964 177.300 -0.172 0.000 1.228 155 P CA -0.373 62.673 63.100 -0.089 0.000 0.786 155 P CB 1.001 32.717 31.700 0.026 0.000 0.927 156 V N 2.368 122.114 119.914 -0.281 0.000 2.392 156 V HA -0.280 3.839 4.120 -0.001 0.000 0.249 156 V C 2.047 178.118 176.094 -0.037 0.000 1.059 156 V CA 2.149 64.279 62.300 -0.284 0.000 1.051 156 V CB -1.653 29.725 31.823 -0.742 0.000 0.658 156 V HN 0.660 nan 8.190 nan 0.000 0.455 157 Y N 1.084 121.481 120.300 0.162 0.000 2.274 157 Y HA -0.161 4.388 4.550 -0.001 0.000 0.290 157 Y C 2.218 178.108 175.900 -0.016 0.000 1.145 157 Y CA 1.509 59.629 58.100 0.033 0.000 1.203 157 Y CB -0.622 37.829 38.460 -0.015 0.000 0.984 157 Y HN 0.124 nan 8.280 nan 0.000 0.533 158 K N 0.651 120.702 120.400 -0.582 0.000 2.116 158 K HA 0.025 4.344 4.320 -0.001 0.000 0.203 158 K C 2.006 178.499 176.600 -0.177 0.000 1.052 158 K CA 1.292 57.312 56.287 -0.446 0.000 0.952 158 K CB -0.188 31.991 32.500 -0.536 0.000 0.729 158 K HN 0.375 nan 8.250 nan 0.000 0.446 159 L N 0.987 122.130 121.223 -0.133 0.000 2.131 159 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 159 L C 2.072 178.961 176.870 0.032 0.000 1.092 159 L CA 0.989 55.817 54.840 -0.021 0.000 0.759 159 L CB -0.375 41.715 42.059 0.052 0.000 0.903 159 L HN 0.169 nan 8.230 nan 0.000 0.435 160 L N -0.657 120.556 121.223 -0.017 0.000 2.478 160 L HA 0.045 4.385 4.340 -0.001 0.000 0.223 160 L C 1.397 178.283 176.870 0.026 0.000 1.140 160 L CA 0.815 55.648 54.840 -0.012 0.000 0.842 160 L CB -0.305 41.710 42.059 -0.075 0.000 0.953 160 L HN 0.523 nan 8.230 nan 0.000 0.452 161 G N -1.144 107.668 108.800 0.020 0.000 2.234 161 G HA2 0.099 4.059 3.960 -0.001 0.000 0.153 161 G HA3 0.099 4.059 3.960 -0.001 0.000 0.153 161 G C 0.487 175.410 174.900 0.039 0.000 1.013 161 G CA -0.357 44.762 45.100 0.032 0.000 0.712 161 G HN 0.673 nan 8.290 nan 0.000 0.491 162 G N -0.691 108.138 108.800 0.049 0.000 2.758 162 G HA2 0.441 4.400 3.960 -0.001 0.000 0.686 162 G HA3 0.441 4.400 3.960 -0.001 0.000 0.686 162 G C 0.326 175.329 174.900 0.170 0.000 1.389 162 G CA 0.716 45.887 45.100 0.118 0.000 0.845 162 G HN 2.088 nan 8.290 nan 0.000 0.572 163 A N -0.524 122.434 122.820 0.230 0.000 2.371 163 A HA 0.719 5.038 4.320 -0.001 0.000 0.257 163 A C 1.595 179.177 177.584 -0.003 0.000 1.089 163 A CA 0.622 52.676 52.037 0.028 0.000 0.794 163 A CB 0.979 19.898 19.000 -0.136 0.000 1.029 163 A HN 2.342 nan 8.150 nan 0.000 0.488 164 V N -0.542 119.349 119.914 -0.038 0.000 3.483 164 V HA 0.398 4.517 4.120 -0.001 0.000 0.301 164 V C 0.306 176.373 176.094 -0.045 0.000 1.389 164 V CA 0.290 62.577 62.300 -0.021 0.000 1.101 164 V CB -1.627 30.198 31.823 0.003 0.000 0.971 164 V HN 0.947 nan 8.190 nan 0.000 0.434 165 R N -1.873 118.574 120.500 -0.089 0.000 2.643 165 R HA 0.504 4.844 4.340 -0.001 0.000 0.269 165 R C -0.907 175.285 176.300 -0.179 0.000 1.037 165 R CA -0.596 55.439 56.100 -0.109 0.000 0.894 165 R CB 1.068 31.306 30.300 -0.105 0.000 1.238 165 R HN -0.056 nan 8.270 nan 0.000 0.459 166 D N 0.898 121.186 120.400 -0.186 0.000 2.312 166 D HA -0.063 4.576 4.640 -0.001 0.000 0.211 166 D C -0.166 175.839 176.300 -0.491 0.000 0.964 166 D CA 1.360 55.167 54.000 -0.321 0.000 0.877 166 D CB 0.429 41.097 40.800 -0.220 0.000 0.924 166 D HN 0.643 nan 8.370 nan 0.000 0.515 167 E N -0.481 119.535 120.200 -0.305 0.000 2.392 167 E HA 0.462 4.811 4.350 -0.001 0.000 0.279 167 E C -1.074 175.400 176.600 -0.209 0.000 0.964 167 E CA -0.775 55.467 56.400 -0.264 0.000 0.777 167 E CB 1.472 31.084 29.700 -0.148 0.000 1.249 167 E HN -0.170 nan 8.360 nan 0.000 0.449 168 I N 2.178 122.615 120.570 -0.221 0.000 2.353 168 I HA 0.149 4.318 4.170 -0.001 0.000 0.293 168 I C -0.033 175.908 176.117 -0.292 0.000 0.992 168 I CA -0.608 60.503 61.300 -0.315 0.000 1.268 168 I CB 1.424 39.144 38.000 -0.466 0.000 1.387 168 I HN 0.505 nan 8.210 nan 0.000 0.478 169 Q N 5.929 125.567 119.800 -0.269 0.000 2.282 169 Q HA 0.608 4.947 4.340 -0.001 0.000 0.260 169 Q C -1.643 174.253 176.000 -0.173 0.000 0.964 169 Q CA -0.592 55.142 55.803 -0.115 0.000 0.880 169 Q CB 1.924 30.640 28.738 -0.037 0.000 1.286 169 Q HN 0.407 nan 8.270 nan 0.000 0.445 170 F N 1.577 121.593 119.950 0.110 0.000 2.523 170 F HA 0.491 5.017 4.527 -0.002 0.000 0.329 170 F C -0.504 175.535 175.800 0.398 0.000 1.061 170 F CA -1.087 57.076 58.000 0.272 0.000 0.967 170 F CB 1.399 40.605 39.000 0.344 0.000 1.218 170 F HN 0.617 nan 8.300 nan 0.000 0.480 171 Y N 0.542 121.136 120.300 0.490 0.000 2.487 171 Y HA 0.892 5.441 4.550 -0.002 0.000 0.337 171 Y C -0.976 175.005 175.900 0.135 0.000 1.076 171 Y CA -1.893 56.337 58.100 0.217 0.000 1.115 171 Y CB 0.969 39.490 38.460 0.100 0.000 1.235 171 Y HN 0.682 nan 8.280 nan 0.000 0.468 172 A N 1.901 124.656 122.820 -0.108 0.000 2.330 172 A HA 0.692 5.011 4.320 -0.001 0.000 0.327 172 A C -0.737 176.755 177.584 -0.154 0.000 1.155 172 A CA -0.777 50.990 52.037 -0.449 0.000 0.803 172 A CB 0.685 19.069 19.000 -1.026 0.000 1.208 172 A HN 0.807 nan 8.150 nan 0.000 0.477 173 T N 1.348 115.789 114.554 -0.189 0.000 2.767 173 T HA 0.730 5.079 4.350 -0.001 0.000 0.284 173 T C 0.349 174.799 174.700 -0.417 0.000 0.973 173 T CA 0.431 62.465 62.100 -0.109 0.000 0.996 173 T CB 1.251 70.151 68.868 0.055 0.000 0.927 173 T HN 1.634 nan 8.240 nan 0.000 0.456 174 G N 0.807 109.198 108.800 -0.681 0.000 2.315 174 G HA2 0.483 4.442 3.960 -0.001 0.000 0.294 174 G HA3 0.483 4.442 3.960 -0.001 0.000 0.294 174 G C 0.193 174.576 174.900 -0.861 0.000 1.300 174 G CA -0.162 44.006 45.100 -1.552 0.000 0.843 174 G HN 0.642 nan 8.290 nan 0.000 0.527 175 A N -0.747 121.611 122.820 -0.771 0.000 2.208 175 A HA 0.351 4.671 4.320 -0.001 0.000 0.209 175 A C 1.117 178.612 177.584 -0.148 0.000 1.161 175 A CA 0.839 52.751 52.037 -0.209 0.000 0.782 175 A CB -0.077 18.936 19.000 0.021 0.000 0.816 175 A HN 0.276 nan 8.150 nan 0.000 0.477 176 R N -0.510 119.860 120.500 -0.216 0.000 2.724 176 R HA 0.249 4.588 4.340 -0.001 0.000 0.284 176 R C -2.515 173.738 176.300 -0.079 0.000 1.481 176 R CA -1.977 54.051 56.100 -0.120 0.000 1.652 176 R CB 0.031 30.265 30.300 -0.111 0.000 1.175 176 R HN 0.152 nan 8.270 nan 0.000 0.613 177 P HA -0.193 nan 4.420 nan 0.000 0.216 177 P C 0.911 178.193 177.300 -0.029 0.000 1.150 177 P CA 1.344 64.516 63.100 0.119 0.000 0.837 177 P CB 0.333 32.163 31.700 0.216 0.000 0.786 178 D N -0.152 120.189 120.400 -0.098 0.000 2.117 178 D HA -0.166 4.473 4.640 -0.001 0.000 0.197 178 D C 1.924 178.124 176.300 -0.167 0.000 0.987 178 D CA 1.303 55.191 54.000 -0.187 0.000 0.829 178 D CB -1.296 39.431 40.800 -0.121 0.000 0.961 178 D HN 0.200 nan 8.370 nan 0.000 0.460 179 L N 0.329 121.496 121.223 -0.094 0.000 2.141 179 L HA -0.024 4.315 4.340 -0.001 0.000 0.209 179 L C 2.813 179.678 176.870 -0.008 0.000 1.094 179 L CA 1.025 55.831 54.840 -0.056 0.000 0.763 179 L CB -0.538 41.497 42.059 -0.041 0.000 0.908 179 L HN 0.077 nan 8.230 nan 0.000 0.437 180 A N 0.306 123.138 122.820 0.020 0.000 1.933 180 A HA -0.248 4.072 4.320 -0.001 0.000 0.218 180 A C 2.420 180.153 177.584 0.248 0.000 1.175 180 A CA 1.882 54.038 52.037 0.198 0.000 0.628 180 A CB -0.405 18.684 19.000 0.148 0.000 0.814 180 A HN 0.325 nan 8.150 nan 0.000 0.444 181 K N -0.205 120.100 120.400 -0.159 0.000 2.026 181 K HA -0.217 4.102 4.320 -0.001 0.000 0.208 181 K C 2.060 178.569 176.600 -0.152 0.000 1.048 181 K CA 1.729 57.769 56.287 -0.412 0.000 0.929 181 K CB -0.214 31.655 32.500 -1.052 0.000 0.713 181 K HN 0.605 nan 8.250 nan 0.000 0.439 182 E N 0.239 120.359 120.200 -0.133 0.000 2.118 182 E HA -0.199 4.150 4.350 -0.001 0.000 0.195 182 E C 1.837 178.406 176.600 -0.051 0.000 0.992 182 E CA 1.336 57.684 56.400 -0.086 0.000 0.804 182 E CB -0.009 29.647 29.700 -0.073 0.000 0.741 182 E HN 0.387 nan 8.360 nan 0.000 0.458 183 M N -1.248 118.356 119.600 0.007 0.000 2.557 183 M HA 0.022 4.501 4.480 -0.001 0.000 0.259 183 M C 1.355 177.550 176.300 -0.175 0.000 1.086 183 M CA 1.108 56.392 55.300 -0.027 0.000 1.096 183 M CB 0.599 33.278 32.600 0.131 0.000 1.424 183 M HN 0.395 nan 8.290 nan 0.000 0.488 184 G N -0.255 108.480 108.800 -0.109 0.000 2.184 184 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.206 184 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.206 184 G C -0.021 174.782 174.900 -0.162 0.000 0.995 184 G CA -0.727 44.272 45.100 -0.167 0.000 0.651 184 G HN 0.303 nan 8.290 nan 0.000 0.511 185 F N 0.851 120.845 119.950 0.074 0.000 2.490 185 F HA 0.442 4.968 4.527 -0.001 0.000 0.336 185 F C 2.198 178.081 175.800 0.138 0.000 1.178 185 F CA 0.176 58.249 58.000 0.121 0.000 1.301 185 F CB 0.540 39.648 39.000 0.180 0.000 1.175 185 F HN 0.145 nan 8.300 nan 0.000 0.593 186 I N -0.925 119.696 120.570 0.086 0.000 3.419 186 I HA 0.435 4.604 4.170 -0.001 0.000 0.286 186 I C 0.699 176.302 176.117 -0.857 0.000 1.268 186 I CA 0.465 61.544 61.300 -0.368 0.000 1.414 186 I CB -0.467 37.120 38.000 -0.688 0.000 1.074 186 I HN 0.478 nan 8.210 nan 0.000 0.457 187 G N -0.007 108.332 108.800 -0.768 0.000 2.559 187 G HA2 0.563 4.523 3.960 -0.001 0.000 0.291 187 G HA3 0.563 4.523 3.960 -0.001 0.000 0.291 187 G C -1.492 173.001 174.900 -0.679 0.000 1.424 187 G CA -0.267 44.060 45.100 -1.290 0.000 0.786 187 G HN 0.255 nan 8.290 nan 0.000 0.485 188 G N -0.244 108.241 108.800 -0.526 0.000 2.732 188 G HA2 0.569 4.529 3.960 -0.001 0.000 0.295 188 G HA3 0.569 4.529 3.960 -0.001 0.000 0.295 188 G C -1.103 173.732 174.900 -0.110 0.000 1.456 188 G CA -0.568 44.498 45.100 -0.058 0.000 1.050 188 G HN 0.546 nan 8.290 nan 0.000 0.525 189 K N 2.673 123.055 120.400 -0.031 0.000 2.213 189 K HA 0.645 4.964 4.320 -0.001 0.000 0.270 189 K C -0.122 176.464 176.600 -0.023 0.000 1.002 189 K CA -0.553 55.688 56.287 -0.076 0.000 0.868 189 K CB 0.984 33.522 32.500 0.063 0.000 1.093 189 K HN 0.447 nan 8.250 nan 0.000 0.454 190 M N 5.492 125.080 119.600 -0.019 0.000 2.537 190 M HA 0.440 4.919 4.480 -0.001 0.000 0.324 190 M C -2.243 174.102 176.300 0.074 0.000 1.187 190 M CA -2.177 53.133 55.300 0.017 0.000 0.993 190 M CB 2.013 34.631 32.600 0.030 0.000 1.666 190 M HN 0.469 nan 8.290 nan 0.000 0.461 191 P HA 0.198 nan 4.420 nan 0.000 0.286 191 P C -0.911 176.298 177.300 -0.152 0.000 1.261 191 P CA -0.408 62.724 63.100 0.054 0.000 0.821 191 P CB 0.790 32.560 31.700 0.117 0.000 1.013 192 T N -0.653 113.871 114.554 -0.050 0.000 2.899 192 T HA 0.200 4.549 4.350 -0.001 0.000 0.295 192 T C 0.904 175.445 174.700 -0.265 0.000 1.033 192 T CA -0.215 61.867 62.100 -0.030 0.000 1.084 192 T CB 0.379 69.340 68.868 0.154 0.000 0.979 192 T HN 0.420 nan 8.240 nan 0.000 0.532 193 H N -0.152 118.907 119.070 -0.019 0.000 2.874 193 H HA 0.214 4.769 4.556 -0.001 0.000 0.264 193 H C -0.511 174.412 175.328 -0.676 0.000 1.007 193 H CA -0.207 55.627 56.048 -0.356 0.000 1.207 193 H CB 0.398 29.799 29.762 -0.601 0.000 1.487 193 H HN 0.631 nan 8.280 nan 0.000 0.505 194 W N 0.393 121.854 121.300 0.267 0.000 2.799 194 W HA 0.582 5.242 4.660 -0.001 0.000 0.349 194 W C 0.458 176.984 176.519 0.011 0.000 1.100 194 W CA -0.870 56.569 57.345 0.157 0.000 1.174 194 W CB 1.218 30.758 29.460 0.134 0.000 1.427 194 W HN -0.041 nan 8.180 nan 0.000 0.547 195 G N -0.002 108.724 108.800 -0.124 0.000 3.042 195 G HA2 0.506 4.465 3.960 -0.001 0.000 0.278 195 G HA3 0.506 4.465 3.960 -0.001 0.000 0.278 195 G C -2.408 171.847 174.900 -1.075 0.000 1.371 195 G CA -1.462 43.318 45.100 -0.535 0.000 1.009 195 G HN 0.142 nan 8.290 nan 0.000 0.523 196 P HA -0.203 nan 4.420 nan 0.000 0.216 196 P C 1.539 178.676 177.300 -0.272 0.000 1.154 196 P CA 1.838 64.500 63.100 -0.730 0.000 0.865 196 P CB -0.088 31.437 31.700 -0.291 0.000 0.789 197 H N -1.748 117.235 119.070 -0.145 0.000 2.518 197 H HA -0.024 4.531 4.556 -0.001 0.000 0.289 197 H C 0.834 176.181 175.328 0.032 0.000 1.051 197 H CA 1.050 57.074 56.048 -0.040 0.000 1.280 197 H CB -1.014 28.723 29.762 -0.042 0.000 1.380 197 H HN 0.213 nan 8.280 nan 0.000 0.566 198 D N 0.987 121.213 120.400 -0.290 0.000 2.348 198 D HA 0.095 4.734 4.640 -0.001 0.000 0.211 198 D C 1.560 177.882 176.300 0.037 0.000 0.998 198 D CA 0.879 54.841 54.000 -0.064 0.000 0.873 198 D CB 0.375 41.181 40.800 0.009 0.000 0.925 198 D HN 0.576 nan 8.370 nan 0.000 0.524 199 G N 2.085 110.949 108.800 0.106 0.000 2.582 199 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.288 199 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.288 199 G C 0.662 175.668 174.900 0.176 0.000 1.247 199 G CA 0.411 45.616 45.100 0.175 0.000 0.972 199 G HN 0.144 nan 8.290 nan 0.000 0.557 200 D N 0.593 121.038 120.400 0.075 0.000 2.178 200 D HA -0.011 4.628 4.640 -0.001 0.000 0.201 200 D C 2.763 179.059 176.300 -0.007 0.000 0.980 200 D CA 1.860 55.875 54.000 0.025 0.000 0.842 200 D CB -0.507 40.297 40.800 0.006 0.000 0.948 200 D HN 0.716 nan 8.370 nan 0.000 0.472 201 A N 1.148 123.946 122.820 -0.037 0.000 1.898 201 A HA -0.027 4.292 4.320 -0.001 0.000 0.216 201 A C 2.416 179.889 177.584 -0.185 0.000 1.181 201 A CA 1.949 53.911 52.037 -0.125 0.000 0.620 201 A CB -1.001 17.897 19.000 -0.171 0.000 0.819 201 A HN 0.298 nan 8.150 nan 0.000 0.442 202 G N 0.071 108.822 108.800 -0.081 0.000 2.418 202 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.217 202 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.217 202 G C 1.525 176.519 174.900 0.156 0.000 1.158 202 G CA 1.128 46.248 45.100 0.034 0.000 0.771 202 G HN 0.471 nan 8.290 nan 0.000 0.545 203 I N 0.069 120.708 120.570 0.114 0.000 2.226 203 I HA -0.149 4.020 4.170 -0.001 0.000 0.245 203 I C 2.830 178.966 176.117 0.031 0.000 1.100 203 I CA 1.275 62.582 61.300 0.010 0.000 1.374 203 I CB -0.211 37.718 38.000 -0.119 0.000 1.057 203 I HN 0.115 nan 8.210 nan 0.000 0.413 204 R N 1.362 121.860 120.500 -0.002 0.000 2.081 204 R HA -0.186 4.153 4.340 -0.001 0.000 0.235 204 R C 2.275 178.574 176.300 -0.003 0.000 1.131 204 R CA 1.552 57.650 56.100 -0.004 0.000 0.960 204 R CB -0.022 30.257 30.300 -0.033 0.000 0.856 204 R HN 0.264 nan 8.270 nan 0.000 0.436 205 K N -0.020 120.349 120.400 -0.053 0.000 2.026 205 K HA -0.122 4.197 4.320 -0.001 0.000 0.208 205 K C 1.703 178.397 176.600 0.157 0.000 1.048 205 K CA 1.613 57.888 56.287 -0.019 0.000 0.929 205 K CB -0.065 32.275 32.500 -0.267 0.000 0.713 205 K HN 0.250 nan 8.250 nan 0.000 0.439 206 D N 0.438 120.993 120.400 0.259 0.000 2.183 206 D HA -0.062 4.578 4.640 -0.001 0.000 0.203 206 D C 1.774 178.163 176.300 0.147 0.000 0.969 206 D CA 0.866 55.033 54.000 0.278 0.000 0.842 206 D CB 0.039 41.039 40.800 0.332 0.000 0.957 206 D HN 0.179 nan 8.370 nan 0.000 0.484 207 A N 1.034 123.921 122.820 0.113 0.000 1.969 207 A HA 0.019 4.338 4.320 -0.001 0.000 0.218 207 A C 2.283 179.850 177.584 -0.028 0.000 1.169 207 A CA 1.708 53.802 52.037 0.096 0.000 0.635 207 A CB -0.389 18.704 19.000 0.156 0.000 0.810 207 A HN 0.215 nan 8.150 nan 0.000 0.445 208 A N -0.556 122.253 122.820 -0.017 0.000 1.969 208 A HA -0.063 4.256 4.320 -0.001 0.000 0.218 208 A C 2.209 179.731 177.584 -0.102 0.000 1.169 208 A CA 1.654 53.641 52.037 -0.084 0.000 0.635 208 A CB -0.510 18.472 19.000 -0.030 0.000 0.810 208 A HN 0.626 nan 8.150 nan 0.000 0.445 209 M N -0.305 119.286 119.600 -0.016 0.000 2.117 209 M HA -0.123 4.356 4.480 -0.001 0.000 0.262 209 M C 1.842 178.109 176.300 -0.056 0.000 1.065 209 M CA 1.979 57.284 55.300 0.009 0.000 1.114 209 M CB -0.197 32.472 32.600 0.115 0.000 1.361 209 M HN 0.187 nan 8.290 nan 0.000 0.408 210 V N 0.945 120.807 119.914 -0.086 0.000 2.358 210 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 210 V C 2.741 178.638 176.094 -0.328 0.000 1.047 210 V CA 1.861 64.083 62.300 -0.129 0.000 1.035 210 V CB -1.428 30.363 31.823 -0.052 0.000 0.658 210 V HN 0.663 nan 8.190 nan 0.000 0.452 211 A N 0.251 122.660 122.820 -0.685 0.000 1.908 211 A HA -0.330 3.990 4.320 -0.001 0.000 0.218 211 A C 2.038 179.387 177.584 -0.392 0.000 1.181 211 A CA 2.348 53.783 52.037 -1.004 0.000 0.627 211 A CB -0.771 17.523 19.000 -1.176 0.000 0.818 211 A HN 0.634 nan 8.150 nan 0.000 0.445 212 D N -1.102 119.151 120.400 -0.245 0.000 2.104 212 D HA -0.174 4.465 4.640 -0.001 0.000 0.194 212 D C 1.905 178.153 176.300 -0.087 0.000 0.994 212 D CA 1.666 55.590 54.000 -0.125 0.000 0.830 212 D CB -0.145 40.606 40.800 -0.081 0.000 0.959 212 D HN 0.251 nan 8.370 nan 0.000 0.452 213 M N -0.083 119.473 119.600 -0.075 0.000 2.296 213 M HA -0.026 4.453 4.480 -0.001 0.000 0.265 213 M C 2.175 178.474 176.300 -0.002 0.000 1.064 213 M CA 0.813 56.098 55.300 -0.026 0.000 1.109 213 M CB -0.744 31.861 32.600 0.009 0.000 1.396 213 M HN 0.053 nan 8.290 nan 0.000 0.430 214 R N 1.022 121.507 120.500 -0.024 0.000 2.092 214 R HA -0.093 4.246 4.340 -0.001 0.000 0.231 214 R C 1.843 178.160 176.300 0.028 0.000 1.119 214 R CA 1.454 57.576 56.100 0.037 0.000 0.970 214 R CB -0.336 30.002 30.300 0.062 0.000 0.864 214 R HN 0.213 nan 8.270 nan 0.000 0.440 215 E N 0.737 120.930 120.200 -0.011 0.000 2.072 215 E HA -0.143 4.207 4.350 -0.001 0.000 0.191 215 E C 1.761 178.352 176.600 -0.014 0.000 0.985 215 E CA 1.314 57.712 56.400 -0.004 0.000 0.801 215 E CB -0.058 29.630 29.700 -0.020 0.000 0.750 215 E HN 0.428 nan 8.360 nan 0.000 0.452 216 K N -0.314 120.068 120.400 -0.031 0.000 2.155 216 K HA -0.003 4.316 4.320 -0.001 0.000 0.203 216 K C 2.084 178.639 176.600 -0.076 0.000 1.052 216 K CA 1.048 57.304 56.287 -0.051 0.000 0.948 216 K CB 0.084 32.548 32.500 -0.060 0.000 0.728 216 K HN 0.100 nan 8.250 nan 0.000 0.448 217 C N 0.203 119.466 119.300 -0.060 0.000 2.780 217 C HA 0.291 4.751 4.460 -0.001 0.000 0.267 217 C C 1.037 176.016 174.990 -0.020 0.000 1.266 217 C CA -0.021 58.931 59.018 -0.111 0.000 1.709 217 C CB -0.735 26.960 27.740 -0.076 0.000 1.975 217 C HN 0.705 nan 8.230 nan 0.000 0.582 218 G N 1.815 110.633 108.800 0.029 0.000 2.756 218 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.678 218 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.678 218 G C -1.789 173.175 174.900 0.106 0.000 1.349 218 G CA -0.051 45.081 45.100 0.053 0.000 0.847 218 G HN 0.046 nan 8.290 nan 0.000 0.548 219 P HA 0.107 nan 4.420 nan 0.000 0.227 219 P C 0.576 177.962 177.300 0.143 0.000 1.161 219 P CA 1.383 64.552 63.100 0.114 0.000 0.788 219 P CB 0.273 32.024 31.700 0.085 0.000 0.822 220 D N -0.973 119.513 120.400 0.143 0.000 2.346 220 D HA 0.029 4.668 4.640 -0.001 0.000 0.206 220 D C 0.340 176.737 176.300 0.161 0.000 1.001 220 D CA 0.036 54.128 54.000 0.153 0.000 0.871 220 D CB -0.239 40.620 40.800 0.098 0.000 0.943 220 D HN 0.163 nan 8.370 nan 0.000 0.518 221 F N 2.146 122.098 119.950 0.004 0.000 2.438 221 F HA 0.167 4.693 4.527 -0.001 0.000 0.356 221 F C -0.044 175.795 175.800 0.066 0.000 1.099 221 F CA -1.172 56.790 58.000 -0.065 0.000 1.185 221 F CB 0.442 39.416 39.000 -0.043 0.000 1.115 221 F HN -0.185 nan 8.300 nan 0.000 0.526 222 W N 7.413 128.380 121.300 -0.554 0.000 2.170 222 W HA 0.424 5.083 4.660 -0.001 0.000 0.336 222 W C -0.797 175.379 176.519 -0.572 0.000 1.283 222 W CA -1.061 55.986 57.345 -0.497 0.000 1.224 222 W CB -0.014 29.117 29.460 -0.547 0.000 1.132 222 W HN 0.344 nan 8.180 nan 0.000 0.571 223 L N 3.347 124.481 121.223 -0.148 0.000 2.408 223 L HA 0.517 4.856 4.340 -0.001 0.000 0.268 223 L C -0.461 176.204 176.870 -0.341 0.000 0.986 223 L CA -0.974 53.756 54.840 -0.184 0.000 0.820 223 L CB 1.592 43.633 42.059 -0.029 0.000 1.303 223 L HN 0.224 nan 8.230 nan 0.000 0.411 224 M N 3.508 122.850 119.600 -0.429 0.000 2.618 224 M HA 0.604 5.083 4.480 -0.001 0.000 0.281 224 M C -1.177 174.949 176.300 -0.290 0.000 1.267 224 M CA -0.100 54.833 55.300 -0.611 0.000 0.845 224 M CB 2.463 34.221 32.600 -1.403 0.000 1.732 224 M HN 0.280 nan 8.290 nan 0.000 0.461 225 L N 0.738 121.859 121.223 -0.169 0.000 2.365 225 L HA 0.574 4.913 4.340 -0.001 0.000 0.273 225 L C -1.085 175.871 176.870 0.144 0.000 1.000 225 L CA -0.648 54.204 54.840 0.021 0.000 0.819 225 L CB 1.860 43.963 42.059 0.075 0.000 1.284 225 L HN 0.633 nan 8.230 nan 0.000 0.418 226 D N 1.708 122.228 120.400 0.200 0.000 2.308 226 D HA 0.239 4.878 4.640 -0.001 0.000 0.242 226 D C -0.168 176.312 176.300 0.301 0.000 1.059 226 D CA -0.430 53.759 54.000 0.315 0.000 0.830 226 D CB 2.022 43.044 40.800 0.370 0.000 1.161 226 D HN 0.580 nan 8.370 nan 0.000 0.494 227 C N 3.069 122.568 119.300 0.332 0.000 3.038 227 C HA 0.140 4.599 4.460 -0.001 0.000 0.279 227 C C 0.640 175.859 174.990 0.381 0.000 1.276 227 C CA -0.895 58.309 59.018 0.310 0.000 1.697 227 C CB -2.079 25.823 27.740 0.270 0.000 2.032 227 C HN 0.880 nan 8.230 nan 0.000 0.636 228 W N 2.166 123.594 121.300 0.214 0.000 7.512 228 W HA -0.311 4.349 4.660 -0.001 0.000 0.420 228 W C 0.922 177.524 176.519 0.139 0.000 1.669 228 W CA 0.984 58.457 57.345 0.213 0.000 1.211 228 W CB -1.360 28.217 29.460 0.195 0.000 2.898 228 W HN 0.610 nan 8.180 nan 0.000 1.644 229 M N -0.672 118.972 119.600 0.074 0.000 2.835 229 M HA -0.394 4.085 4.480 -0.001 0.000 0.177 229 M C 1.509 177.815 176.300 0.011 0.000 0.640 229 M CA 1.582 56.857 55.300 -0.042 0.000 0.635 229 M CB -2.203 30.221 32.600 -0.294 0.000 2.307 229 M HN 0.414 nan 8.290 nan 0.000 0.400 230 S N -1.536 114.234 115.700 0.116 0.000 2.603 230 S HA 0.126 4.595 4.470 -0.001 0.000 0.220 230 S C 0.649 175.273 174.600 0.039 0.000 0.967 230 S CA 0.186 58.445 58.200 0.098 0.000 0.920 230 S CB 0.266 63.566 63.200 0.167 0.000 0.773 230 S HN 0.722 nan 8.310 nan 0.000 0.529 231 Q N 0.839 120.667 119.800 0.046 0.000 2.990 231 Q HA 0.586 4.925 4.340 -0.001 0.000 0.255 231 Q C -1.396 174.609 176.000 0.008 0.000 1.040 231 Q CA -1.087 54.740 55.803 0.039 0.000 0.897 231 Q CB 0.607 29.461 28.738 0.193 0.000 1.429 231 Q HN 0.465 nan 8.270 nan 0.000 0.497 232 D N -1.743 118.685 120.400 0.047 0.000 2.566 232 D HA 0.242 4.881 4.640 -0.001 0.000 0.254 232 D C 0.475 176.798 176.300 0.038 0.000 1.090 232 D CA -0.815 53.191 54.000 0.010 0.000 1.034 232 D CB 0.561 41.369 40.800 0.013 0.000 1.434 232 D HN 0.190 nan 8.370 nan 0.000 0.509 233 V N 0.343 120.257 119.914 0.001 0.000 2.287 233 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 233 V C 2.247 178.373 176.094 0.053 0.000 1.053 233 V CA 2.464 64.770 62.300 0.011 0.000 1.027 233 V CB -1.183 30.636 31.823 -0.007 0.000 0.646 233 V HN 0.725 nan 8.190 nan 0.000 0.447 234 N N -0.482 118.256 118.700 0.062 0.000 2.069 234 N HA -0.259 4.480 4.740 -0.001 0.000 0.191 234 N C 1.866 177.437 175.510 0.101 0.000 1.031 234 N CA 2.011 55.102 53.050 0.069 0.000 0.852 234 N CB -0.420 38.106 38.487 0.065 0.000 1.018 234 N HN 0.548 nan 8.380 nan 0.000 0.423 235 Y N 0.500 120.816 120.300 0.026 0.000 2.181 235 Y HA -0.064 4.485 4.550 -0.001 0.000 0.288 235 Y C 2.268 178.204 175.900 0.061 0.000 1.146 235 Y CA 1.758 59.883 58.100 0.042 0.000 1.164 235 Y CB -0.658 37.827 38.460 0.042 0.000 0.982 235 Y HN 0.210 nan 8.280 nan 0.000 0.515 236 A N -0.941 121.990 122.820 0.185 0.000 1.902 236 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 236 A C 2.223 179.846 177.584 0.065 0.000 1.181 236 A CA 2.233 54.344 52.037 0.123 0.000 0.623 236 A CB -1.281 17.793 19.000 0.123 0.000 0.818 236 A HN 0.491 nan 8.150 nan 0.000 0.443 237 T N 0.050 114.648 114.554 0.073 0.000 2.708 237 T HA -0.139 4.210 4.350 -0.001 0.000 0.266 237 T C 1.941 176.720 174.700 0.132 0.000 1.037 237 T CA 1.780 63.955 62.100 0.124 0.000 1.146 237 T CB -0.209 68.712 68.868 0.088 0.000 0.865 237 T HN 0.555 nan 8.240 nan 0.000 0.435 238 K N 0.457 120.857 120.400 -0.001 0.000 2.057 238 K HA -0.033 4.287 4.320 -0.001 0.000 0.207 238 K C 2.186 178.749 176.600 -0.063 0.000 1.049 238 K CA 0.926 57.183 56.287 -0.051 0.000 0.931 238 K CB -0.360 32.054 32.500 -0.143 0.000 0.714 238 K HN 0.117 nan 8.250 nan 0.000 0.440 239 L N 1.034 122.159 121.223 -0.162 0.000 2.056 239 L HA -0.096 4.243 4.340 -0.001 0.000 0.207 239 L C 2.172 179.044 176.870 0.003 0.000 1.078 239 L CA 1.723 56.495 54.840 -0.112 0.000 0.749 239 L CB -0.709 41.269 42.059 -0.136 0.000 0.901 239 L HN 0.128 nan 8.230 nan 0.000 0.433 240 A N -1.332 121.502 122.820 0.023 0.000 1.883 240 A HA -0.256 4.063 4.320 -0.001 0.000 0.217 240 A C 2.264 179.801 177.584 -0.077 0.000 1.186 240 A CA 1.841 53.873 52.037 -0.009 0.000 0.624 240 A CB -1.031 17.960 19.000 -0.016 0.000 0.822 240 A HN 0.669 nan 8.150 nan 0.000 0.444 241 H N -0.777 118.283 119.070 -0.017 0.000 2.423 241 H HA -0.001 4.554 4.556 -0.001 0.000 0.297 241 H C 2.467 177.775 175.328 -0.035 0.000 1.075 241 H CA 1.255 57.286 56.048 -0.028 0.000 1.342 241 H CB -0.157 29.585 29.762 -0.032 0.000 1.395 241 H HN 0.551 nan 8.280 nan 0.000 0.530 242 A N 0.163 123.030 122.820 0.078 0.000 2.015 242 A HA -0.109 4.210 4.320 -0.001 0.000 0.219 242 A C 2.453 180.096 177.584 0.100 0.000 1.163 242 A CA 1.118 53.195 52.037 0.067 0.000 0.646 242 A CB -0.558 18.478 19.000 0.059 0.000 0.806 242 A HN 0.448 nan 8.150 nan 0.000 0.448 243 C N -1.404 117.953 119.300 0.094 0.000 2.799 243 C HA 0.430 4.889 4.460 -0.001 0.000 0.267 243 C C 2.966 177.968 174.990 0.019 0.000 1.257 243 C CA -0.229 58.905 59.018 0.194 0.000 1.702 243 C CB -0.948 26.895 27.740 0.171 0.000 1.934 243 C HN 0.709 nan 8.230 nan 0.000 0.594 244 A N 2.405 125.165 122.820 -0.100 0.000 1.948 244 A HA -0.135 4.184 4.320 -0.001 0.000 0.220 244 A C 0.039 177.480 177.584 -0.240 0.000 1.177 244 A CA 1.817 53.763 52.037 -0.152 0.000 0.636 244 A CB -1.676 17.223 19.000 -0.168 0.000 0.815 244 A HN 0.449 nan 8.150 nan 0.000 0.449 245 P HA -0.083 nan 4.420 nan 0.000 0.225 245 P C 0.279 177.183 177.300 -0.660 0.000 1.148 245 P CA 0.798 63.525 63.100 -0.621 0.000 0.779 245 P CB -0.095 31.079 31.700 -0.876 0.000 0.780 246 F N -2.320 117.627 119.950 -0.005 0.000 2.641 246 F HA 0.296 4.822 4.527 -0.002 0.000 0.302 246 F C 0.726 176.522 175.800 -0.007 0.000 1.098 246 F CA -0.759 57.242 58.000 0.000 0.000 1.318 246 F CB -1.294 37.709 39.000 0.005 0.000 1.035 246 F HN -0.165 nan 8.300 nan 0.000 0.551 247 N N 1.483 120.204 118.700 0.035 0.000 2.725 247 N HA -0.244 4.496 4.740 -0.001 0.000 0.251 247 N C -0.431 175.084 175.510 0.009 0.000 1.031 247 N CA 0.036 53.092 53.050 0.010 0.000 0.720 247 N CB -1.291 37.209 38.487 0.022 0.000 0.930 247 N HN 0.302 nan 8.380 nan 0.000 0.543 248 L N 0.735 121.968 121.223 0.016 0.000 2.513 248 L HA 0.095 4.434 4.340 -0.001 0.000 0.272 248 L C 1.671 178.488 176.870 -0.087 0.000 1.187 248 L CA 0.754 55.578 54.840 -0.027 0.000 0.895 248 L CB 0.440 42.501 42.059 0.003 0.000 1.147 248 L HN 0.327 nan 8.230 nan 0.000 0.483 249 K N 4.261 124.549 120.400 -0.185 0.000 2.057 249 K HA -0.046 4.273 4.320 -0.001 0.000 0.206 249 K C -0.518 176.084 176.600 0.003 0.000 1.050 249 K CA 1.529 57.692 56.287 -0.206 0.000 0.935 249 K CB 0.131 32.364 32.500 -0.444 0.000 0.715 249 K HN 0.765 nan 8.250 nan 0.000 0.439 250 W N -0.875 120.351 121.300 -0.122 0.000 3.146 250 W HA 0.456 5.116 4.660 -0.001 0.000 0.319 250 W C -1.982 174.531 176.519 -0.011 0.000 1.258 250 W CA -1.290 56.014 57.345 -0.068 0.000 1.189 250 W CB 0.373 29.789 29.460 -0.074 0.000 1.412 250 W HN -0.199 nan 8.180 nan 0.000 0.567 251 I N 2.683 123.497 120.570 0.408 0.000 2.418 251 I HA 0.381 4.550 4.170 -0.001 0.000 0.287 251 I C -0.686 175.694 176.117 0.437 0.000 1.008 251 I CA -0.686 60.807 61.300 0.322 0.000 1.104 251 I CB 1.400 39.516 38.000 0.194 0.000 1.264 251 I HN 0.693 nan 8.210 nan 0.000 0.438 252 E N 6.722 127.209 120.200 0.478 0.000 2.191 252 E HA 0.190 4.539 4.350 -0.001 0.000 0.274 252 E C -0.226 176.590 176.600 0.361 0.000 0.948 252 E CA -0.492 56.167 56.400 0.431 0.000 0.802 252 E CB 1.194 31.238 29.700 0.573 0.000 1.137 252 E HN 0.669 nan 8.360 nan 0.000 0.397 253 E N 2.828 123.233 120.200 0.342 0.000 2.183 253 E HA -0.294 4.055 4.350 -0.001 0.000 0.196 253 E C -0.034 176.754 176.600 0.312 0.000 1.364 253 E CA 0.247 56.863 56.400 0.361 0.000 0.700 253 E CB -1.331 28.547 29.700 0.296 0.000 1.106 253 E HN 0.703 nan 8.360 nan 0.000 0.347 254 C N 0.276 119.754 119.300 0.297 0.000 2.432 254 C HA 0.017 4.476 4.460 -0.001 0.000 0.280 254 C C 1.204 176.209 174.990 0.025 0.000 1.353 254 C CA 0.356 59.470 59.018 0.159 0.000 1.766 254 C CB -0.628 27.183 27.740 0.120 0.000 1.924 254 C HN 0.369 nan 8.230 nan 0.000 0.509 255 L N -0.569 120.599 121.223 -0.091 0.000 2.323 255 L HA 0.453 4.792 4.340 -0.001 0.000 0.265 255 L C -2.571 174.255 176.870 -0.074 0.000 1.012 255 L CA -2.123 52.582 54.840 -0.225 0.000 0.820 255 L CB 0.708 42.374 42.059 -0.656 0.000 1.334 255 L HN -0.345 nan 8.230 nan 0.000 0.427 256 P HA 0.021 nan 4.420 nan 0.000 0.268 256 P C -1.921 175.312 177.300 -0.111 0.000 1.208 256 P CA -0.825 62.178 63.100 -0.162 0.000 0.777 256 P CB 0.147 31.737 31.700 -0.183 0.000 0.875 257 P HA -0.203 nan 4.420 nan 0.000 0.218 257 P C 0.791 177.835 177.300 -0.428 0.000 1.148 257 P CA 1.817 64.687 63.100 -0.384 0.000 0.822 257 P CB 0.009 31.233 31.700 -0.794 0.000 0.784 258 Q N -0.222 119.362 119.800 -0.359 0.000 2.369 258 Q HA -0.052 4.287 4.340 -0.001 0.000 0.206 258 Q C 1.325 177.093 176.000 -0.386 0.000 0.963 258 Q CA 0.741 56.319 55.803 -0.376 0.000 0.894 258 Q CB -0.697 27.941 28.738 -0.167 0.000 0.965 258 Q HN 0.472 nan 8.270 nan 0.000 0.475 259 Q N 0.227 119.871 119.800 -0.259 0.000 3.179 259 Q HA 0.013 4.352 4.340 -0.001 0.000 0.328 259 Q C -0.134 175.859 176.000 -0.012 0.000 1.336 259 Q CA -0.195 55.526 55.803 -0.138 0.000 0.939 259 Q CB -0.045 28.593 28.738 -0.166 0.000 1.658 259 Q HN 0.441 nan 8.270 nan 0.000 0.486 260 Y N 0.343 120.749 120.300 0.178 0.000 2.165 260 Y HA -0.265 4.284 4.550 -0.001 0.000 0.286 260 Y C 1.821 177.803 175.900 0.137 0.000 1.155 260 Y CA 1.307 59.521 58.100 0.190 0.000 1.164 260 Y CB 0.029 38.542 38.460 0.088 0.000 0.978 260 Y HN 0.363 nan 8.280 nan 0.000 0.513 261 E N -0.420 119.917 120.200 0.229 0.000 2.118 261 E HA -0.139 4.210 4.350 -0.001 0.000 0.195 261 E C 2.539 179.189 176.600 0.083 0.000 0.992 261 E CA 1.257 57.735 56.400 0.130 0.000 0.804 261 E CB -0.745 29.006 29.700 0.086 0.000 0.741 261 E HN 0.496 nan 8.360 nan 0.000 0.458 262 G N -0.560 108.259 108.800 0.030 0.000 2.408 262 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 262 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 262 G C 1.219 176.086 174.900 -0.055 0.000 1.150 262 G CA 0.508 45.575 45.100 -0.054 0.000 0.776 262 G HN 0.261 nan 8.290 nan 0.000 0.542 263 Y N 0.317 120.643 120.300 0.043 0.000 2.224 263 Y HA -0.079 4.470 4.550 -0.002 0.000 0.289 263 Y C 2.996 178.926 175.900 0.050 0.000 1.146 263 Y CA 1.526 59.655 58.100 0.048 0.000 1.182 263 Y CB -0.012 38.479 38.460 0.053 0.000 0.983 263 Y HN 0.101 nan 8.280 nan 0.000 0.524 264 R N 0.798 121.421 120.500 0.204 0.000 2.081 264 R HA -0.224 4.115 4.340 -0.001 0.000 0.235 264 R C 2.189 178.543 176.300 0.090 0.000 1.131 264 R CA 1.969 58.146 56.100 0.127 0.000 0.960 264 R CB -0.284 30.077 30.300 0.101 0.000 0.856 264 R HN 0.436 nan 8.270 nan 0.000 0.436 265 E N 0.102 120.345 120.200 0.072 0.000 2.107 265 E HA -0.190 4.159 4.350 -0.001 0.000 0.191 265 E C 1.972 178.605 176.600 0.056 0.000 0.982 265 E CA 0.880 57.310 56.400 0.050 0.000 0.809 265 E CB -0.040 29.678 29.700 0.031 0.000 0.756 265 E HN 0.301 nan 8.360 nan 0.000 0.459 266 L N 1.633 122.891 121.223 0.059 0.000 2.017 266 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 266 L C 2.299 179.225 176.870 0.094 0.000 1.073 266 L CA 2.013 56.895 54.840 0.070 0.000 0.745 266 L CB -0.612 41.481 42.059 0.057 0.000 0.894 266 L HN -0.007 nan 8.230 nan 0.000 0.432 267 K N 0.037 120.502 120.400 0.109 0.000 2.063 267 K HA -0.176 4.143 4.320 -0.001 0.000 0.208 267 K C 2.208 178.849 176.600 0.068 0.000 1.048 267 K CA 1.718 58.059 56.287 0.091 0.000 0.928 267 K CB -0.280 32.273 32.500 0.087 0.000 0.713 267 K HN 0.334 nan 8.250 nan 0.000 0.442 268 R N 0.009 120.548 120.500 0.064 0.000 2.096 268 R HA -0.007 4.333 4.340 -0.001 0.000 0.235 268 R C 1.402 177.741 176.300 0.065 0.000 1.127 268 R CA 1.423 57.555 56.100 0.054 0.000 0.968 268 R CB -0.297 30.030 30.300 0.046 0.000 0.861 268 R HN 0.290 nan 8.270 nan 0.000 0.440 269 N N 0.397 119.145 118.700 0.080 0.000 2.412 269 N HA 0.046 4.785 4.740 -0.001 0.000 0.184 269 N C 0.017 175.641 175.510 0.190 0.000 1.101 269 N CA 0.287 53.408 53.050 0.118 0.000 0.881 269 N CB 0.274 38.822 38.487 0.101 0.000 0.969 269 N HN 0.127 nan 8.380 nan 0.000 0.459 270 A N 2.033 124.917 122.820 0.106 0.000 2.445 270 A HA 0.333 4.653 4.320 -0.001 0.000 0.242 270 A C -2.044 175.511 177.584 -0.048 0.000 1.075 270 A CA -0.778 51.277 52.037 0.031 0.000 0.777 270 A CB -0.289 18.725 19.000 0.023 0.000 1.013 270 A HN -0.015 nan 8.150 nan 0.000 0.493 271 P HA 0.242 nan 4.420 nan 0.000 0.267 271 P C -0.125 177.113 177.300 -0.105 0.000 1.200 271 P CA 0.394 63.320 63.100 -0.290 0.000 0.772 271 P CB 0.507 31.945 31.700 -0.438 0.000 0.855 272 A N 3.014 125.803 122.820 -0.052 0.000 2.566 272 A HA 0.373 4.693 4.320 -0.001 0.000 0.245 272 A C 1.630 179.191 177.584 -0.039 0.000 1.056 272 A CA 0.874 52.895 52.037 -0.028 0.000 0.757 272 A CB -1.432 17.560 19.000 -0.013 0.000 0.979 272 A HN 0.891 nan 8.150 nan 0.000 0.508 273 G N 1.314 110.096 108.800 -0.029 0.000 2.234 273 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.260 273 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.260 273 G C 0.395 175.274 174.900 -0.036 0.000 0.987 273 G CA 0.581 45.661 45.100 -0.033 0.000 0.625 273 G HN 1.122 nan 8.290 nan 0.000 0.532 274 M N 1.807 121.384 119.600 -0.038 0.000 2.180 274 M HA 0.684 5.163 4.480 -0.001 0.000 0.358 274 M C 0.668 176.978 176.300 0.017 0.000 1.233 274 M CA -0.336 54.951 55.300 -0.021 0.000 1.114 274 M CB 0.457 33.029 32.600 -0.047 0.000 1.594 274 M HN 0.232 nan 8.290 nan 0.000 0.467 275 M N 3.892 123.530 119.600 0.063 0.000 2.288 275 M HA 0.436 4.915 4.480 -0.001 0.000 0.334 275 M C -0.925 175.448 176.300 0.122 0.000 1.150 275 M CA -0.804 54.542 55.300 0.075 0.000 1.118 275 M CB 1.510 34.149 32.600 0.065 0.000 1.501 275 M HN 0.388 nan 8.290 nan 0.000 0.462 276 V N 1.303 121.260 119.914 0.071 0.000 2.495 276 V HA 0.633 4.752 4.120 -0.001 0.000 0.298 276 V C 0.046 176.149 176.094 0.015 0.000 1.031 276 V CA -0.527 61.836 62.300 0.105 0.000 0.871 276 V CB 1.780 33.681 31.823 0.131 0.000 0.988 276 V HN 1.026 nan 8.190 nan 0.000 0.432 277 T N 1.028 115.591 114.554 0.015 0.000 2.883 277 T HA 0.891 5.240 4.350 -0.001 0.000 0.296 277 T C -0.539 174.135 174.700 -0.042 0.000 1.117 277 T CA -0.553 61.475 62.100 -0.121 0.000 1.006 277 T CB 2.213 70.853 68.868 -0.379 0.000 1.191 277 T HN 0.844 nan 8.240 nan 0.000 0.508 278 S N -1.678 113.952 115.700 -0.117 0.000 2.660 278 S HA 0.672 5.142 4.470 -0.001 0.000 0.264 278 S C 0.427 175.012 174.600 -0.026 0.000 1.131 278 S CA 0.501 58.653 58.200 -0.081 0.000 0.846 278 S CB 0.744 63.679 63.200 -0.442 0.000 1.151 278 S HN 2.461 nan 8.310 nan 0.000 0.486 279 G N 1.217 110.084 108.800 0.111 0.000 2.380 279 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.197 279 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.197 279 G C 0.701 175.826 174.900 0.374 0.000 1.001 279 G CA 1.030 46.277 45.100 0.245 0.000 0.668 279 G HN 1.011 nan 8.290 nan 0.000 0.483 280 E N 0.030 120.371 120.200 0.234 0.000 2.209 280 E HA -0.156 4.194 4.350 -0.001 0.000 0.196 280 E C 1.454 178.116 176.600 0.104 0.000 0.993 280 E CA 1.243 57.714 56.400 0.118 0.000 0.819 280 E CB -0.357 29.304 29.700 -0.066 0.000 0.745 280 E HN 0.590 nan 8.360 nan 0.000 0.477 281 H N -0.253 118.936 119.070 0.198 0.000 2.586 281 H HA 0.193 4.748 4.556 -0.002 0.000 0.273 281 H C 0.144 175.428 175.328 -0.073 0.000 0.997 281 H CA 0.016 56.085 56.048 0.034 0.000 1.177 281 H CB 0.187 29.834 29.762 -0.192 0.000 1.471 281 H HN 0.235 nan 8.280 nan 0.000 0.538 282 H N 0.050 119.178 119.070 0.096 0.000 2.505 282 H HA 0.439 4.994 4.556 -0.002 0.000 0.355 282 H C 0.554 175.984 175.328 0.170 0.000 1.179 282 H CA 0.029 56.031 56.048 -0.077 0.000 1.343 282 H CB 1.934 31.316 29.762 -0.633 0.000 1.501 282 H HN 0.299 nan 8.280 nan 0.000 0.569 283 G N -0.174 108.781 108.800 0.258 0.000 2.659 283 G HA2 0.471 4.430 3.960 -0.001 0.000 0.296 283 G HA3 0.471 4.430 3.960 -0.001 0.000 0.296 283 G C -0.821 174.264 174.900 0.308 0.000 1.369 283 G CA -0.236 45.075 45.100 0.351 0.000 0.937 283 G HN 0.922 nan 8.290 nan 0.000 0.485 284 T N -1.471 113.276 114.554 0.322 0.000 0.541 284 T HA -0.186 4.163 4.350 -0.001 0.000 0.774 284 T C 0.713 175.610 174.700 0.328 0.000 0.992 284 T CA 0.424 62.669 62.100 0.242 0.000 4.077 284 T CB -0.862 68.088 68.868 0.138 0.000 2.303 284 T HN 1.809 nan 8.240 nan 0.000 0.398 285 L N 1.993 123.349 121.223 0.221 0.000 2.042 285 L HA 0.008 4.347 4.340 -0.001 0.000 0.210 285 L C 2.741 179.718 176.870 0.177 0.000 1.076 285 L CA 2.365 57.320 54.840 0.192 0.000 0.749 285 L CB -0.970 41.146 42.059 0.095 0.000 0.893 285 L HN 0.864 nan 8.230 nan 0.000 0.432 286 Q N -0.835 119.032 119.800 0.113 0.000 2.124 286 Q HA -0.134 4.205 4.340 -0.001 0.000 0.202 286 Q C 2.382 178.393 176.000 0.019 0.000 0.977 286 Q CA 1.858 57.690 55.803 0.049 0.000 0.850 286 Q CB -0.485 28.269 28.738 0.026 0.000 0.901 286 Q HN 0.496 nan 8.270 nan 0.000 0.429 287 S N -0.343 115.392 115.700 0.058 0.000 2.383 287 S HA -0.047 4.422 4.470 -0.001 0.000 0.227 287 S C 1.368 175.870 174.600 -0.163 0.000 1.026 287 S CA 0.771 58.962 58.200 -0.015 0.000 0.981 287 S CB -0.237 63.004 63.200 0.067 0.000 0.818 287 S HN 0.317 nan 8.310 nan 0.000 0.472 288 F N 1.781 121.722 119.950 -0.016 0.000 2.325 288 F HA 0.060 4.586 4.527 -0.002 0.000 0.299 288 F C 2.529 178.262 175.800 -0.111 0.000 1.090 288 F CA 0.596 58.549 58.000 -0.078 0.000 1.392 288 F CB -0.155 38.814 39.000 -0.052 0.000 1.053 288 F HN 0.054 nan 8.300 nan 0.000 0.521 289 R N 0.482 121.003 120.500 0.036 0.000 2.066 289 R HA -0.115 4.224 4.340 -0.001 0.000 0.232 289 R C 1.816 178.042 176.300 -0.123 0.000 1.131 289 R CA 2.094 58.175 56.100 -0.032 0.000 0.955 289 R CB -1.001 29.280 30.300 -0.032 0.000 0.851 289 R HN 0.162 nan 8.270 nan 0.000 0.432 290 T N 2.247 116.664 114.554 -0.229 0.000 2.777 290 T HA -0.137 4.212 4.350 -0.001 0.000 0.266 290 T C 1.771 176.238 174.700 -0.390 0.000 1.040 290 T CA 1.216 63.067 62.100 -0.415 0.000 1.141 290 T CB -0.257 68.143 68.868 -0.779 0.000 0.868 290 T HN 0.145 nan 8.240 nan 0.000 0.444 291 L N 1.575 122.609 121.223 -0.314 0.000 2.017 291 L HA 0.102 4.441 4.340 -0.001 0.000 0.208 291 L C 2.636 179.426 176.870 -0.133 0.000 1.073 291 L CA 1.862 56.594 54.840 -0.180 0.000 0.745 291 L CB -1.106 40.692 42.059 -0.434 0.000 0.894 291 L HN 0.221 nan 8.230 nan 0.000 0.432 292 A N -0.821 121.937 122.820 -0.103 0.000 1.908 292 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 292 A C 2.128 179.676 177.584 -0.060 0.000 1.181 292 A CA 1.927 53.926 52.037 -0.064 0.000 0.627 292 A CB -0.705 18.272 19.000 -0.038 0.000 0.818 292 A HN 0.634 nan 8.150 nan 0.000 0.445 293 E N -0.508 119.649 120.200 -0.071 0.000 2.478 293 E HA -0.089 4.261 4.350 -0.001 0.000 0.198 293 E C 1.789 178.374 176.600 -0.026 0.000 1.046 293 E CA 1.033 57.401 56.400 -0.053 0.000 0.870 293 E CB -0.238 29.421 29.700 -0.069 0.000 0.818 293 E HN 0.886 nan 8.360 nan 0.000 0.527 294 T N -3.303 111.246 114.554 -0.010 0.000 3.055 294 T HA 0.102 4.451 4.350 -0.001 0.000 0.265 294 T C 1.620 176.341 174.700 0.036 0.000 1.111 294 T CA 0.582 62.709 62.100 0.045 0.000 1.118 294 T CB 0.330 69.267 68.868 0.114 0.000 0.909 294 T HN 0.240 nan 8.240 nan 0.000 0.501 295 G N 2.061 110.863 108.800 0.003 0.000 2.175 295 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.244 295 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.244 295 G C 0.142 175.039 174.900 -0.005 0.000 0.982 295 G CA -0.117 44.983 45.100 -0.000 0.000 0.641 295 G HN 1.080 nan 8.290 nan 0.000 0.527 296 I N -1.872 118.688 120.570 -0.016 0.000 2.892 296 I HA 0.300 4.469 4.170 -0.001 0.000 0.287 296 I C 1.171 177.253 176.117 -0.059 0.000 1.205 296 I CA 0.087 61.368 61.300 -0.032 0.000 1.409 296 I CB 0.434 38.382 38.000 -0.088 0.000 1.367 296 I HN -0.015 nan 8.210 nan 0.000 0.597 297 D N 4.639 125.001 120.400 -0.064 0.000 2.123 297 D HA 0.070 4.709 4.640 -0.001 0.000 0.200 297 D C 0.530 176.753 176.300 -0.128 0.000 0.976 297 D CA 1.726 55.676 54.000 -0.084 0.000 0.831 297 D CB 0.237 40.993 40.800 -0.073 0.000 0.974 297 D HN 0.481 nan 8.370 nan 0.000 0.469 298 I N 0.820 121.282 120.570 -0.180 0.000 2.499 298 I HA 0.226 4.395 4.170 -0.001 0.000 0.288 298 I C -0.409 175.599 176.117 -0.180 0.000 1.048 298 I CA -0.514 60.656 61.300 -0.217 0.000 1.062 298 I CB 2.361 40.148 38.000 -0.355 0.000 1.238 298 I HN -0.290 nan 8.210 nan 0.000 0.426 299 M N 5.375 124.908 119.600 -0.112 0.000 2.264 299 M HA 0.369 4.849 4.480 -0.001 0.000 0.352 299 M C -0.531 175.772 176.300 0.005 0.000 1.173 299 M CA -0.273 55.020 55.300 -0.011 0.000 1.075 299 M CB 1.287 33.948 32.600 0.102 0.000 1.621 299 M HN 0.503 nan 8.290 nan 0.000 0.457 300 Q N 3.454 123.309 119.800 0.092 0.000 2.851 300 Q HA 0.305 4.644 4.340 -0.001 0.000 0.331 300 Q C -2.405 173.705 176.000 0.183 0.000 0.979 300 Q CA -1.751 54.115 55.803 0.105 0.000 0.955 300 Q CB 0.530 29.335 28.738 0.111 0.000 1.298 300 Q HN 0.352 nan 8.270 nan 0.000 0.432 301 P HA -0.077 nan 4.420 nan 0.000 0.271 301 P C -0.617 176.731 177.300 0.079 0.000 1.218 301 P CA 0.091 63.282 63.100 0.151 0.000 0.780 301 P CB 1.127 32.709 31.700 -0.196 0.000 0.901 302 D N 1.868 122.294 120.400 0.044 0.000 2.232 302 D HA 0.069 4.708 4.640 -0.001 0.000 0.242 302 D C 1.297 177.558 176.300 -0.065 0.000 1.093 302 D CA -0.540 53.370 54.000 -0.151 0.000 0.845 302 D CB 1.542 41.866 40.800 -0.793 0.000 1.124 302 D HN -0.031 nan 8.370 nan 0.000 0.467 303 V N 3.884 123.781 119.914 -0.028 0.000 2.469 303 V HA -0.136 3.983 4.120 -0.001 0.000 0.251 303 V C 2.229 178.326 176.094 0.005 0.000 1.064 303 V CA 2.024 64.330 62.300 0.009 0.000 1.066 303 V CB -0.508 31.335 31.823 0.034 0.000 0.667 303 V HN 0.747 nan 8.190 nan 0.000 0.461 304 G N -2.285 106.486 108.800 -0.049 0.000 2.985 304 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.209 304 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.209 304 G C 0.912 176.009 174.900 0.328 0.000 1.165 304 G CA 0.028 45.145 45.100 0.029 0.000 0.776 304 G HN 0.567 nan 8.290 nan 0.000 0.541 305 W N -0.835 120.532 121.300 0.111 0.000 2.942 305 W HA 0.190 4.849 4.660 -0.002 0.000 0.260 305 W C 2.202 178.797 176.519 0.128 0.000 1.101 305 W CA -0.473 56.937 57.345 0.109 0.000 1.436 305 W CB -1.202 28.319 29.460 0.102 0.000 0.883 305 W HN 0.251 nan 8.180 nan 0.000 0.646 306 C N -0.212 119.294 119.300 0.344 0.000 2.481 306 C HA 0.576 5.035 4.460 -0.001 0.000 0.275 306 C C 1.921 177.061 174.990 0.250 0.000 1.419 306 C CA 1.113 60.320 59.018 0.315 0.000 1.773 306 C CB -0.751 27.101 27.740 0.188 0.000 1.862 306 C HN 0.488 nan 8.230 nan 0.000 0.530 307 G N -1.037 107.895 108.800 0.220 0.000 2.613 307 G HA2 0.462 4.421 3.960 -0.001 0.000 0.199 307 G HA3 0.462 4.421 3.960 -0.001 0.000 0.199 307 G C 0.637 175.719 174.900 0.304 0.000 0.991 307 G CA 0.456 45.704 45.100 0.247 0.000 0.756 307 G HN 2.184 nan 8.290 nan 0.000 0.515 308 G N -1.021 107.890 108.800 0.185 0.000 2.434 308 G HA2 0.229 4.188 3.960 -0.001 0.000 0.671 308 G HA3 0.229 4.188 3.960 -0.001 0.000 0.671 308 G C 0.531 175.476 174.900 0.076 0.000 1.280 308 G CA 0.015 45.200 45.100 0.143 0.000 0.975 308 G HN 1.422 nan 8.290 nan 0.000 0.510 309 L N 0.088 121.353 121.223 0.071 0.000 2.046 309 L HA 0.104 4.443 4.340 -0.001 0.000 0.208 309 L C 2.958 179.788 176.870 -0.066 0.000 1.077 309 L CA 3.514 58.336 54.840 -0.031 0.000 0.747 309 L CB -0.923 41.025 42.059 -0.186 0.000 0.896 309 L HN 0.821 nan 8.230 nan 0.000 0.432 310 T N -0.986 113.572 114.554 0.005 0.000 2.759 310 T HA -0.182 4.168 4.350 -0.001 0.000 0.269 310 T C 1.668 176.285 174.700 -0.139 0.000 1.042 310 T CA 2.027 64.091 62.100 -0.060 0.000 1.140 310 T CB -0.403 68.257 68.868 -0.347 0.000 0.864 310 T HN 0.479 nan 8.240 nan 0.000 0.455 311 T N 1.782 116.266 114.554 -0.116 0.000 2.937 311 T HA 0.103 4.452 4.350 -0.001 0.000 0.260 311 T C 1.864 176.516 174.700 -0.079 0.000 1.051 311 T CA 0.402 62.483 62.100 -0.032 0.000 1.141 311 T CB -0.331 68.590 68.868 0.088 0.000 0.879 311 T HN 0.142 nan 8.240 nan 0.000 0.459 312 L N 1.693 122.880 121.223 -0.061 0.000 2.042 312 L HA -0.047 4.292 4.340 -0.001 0.000 0.210 312 L C 2.335 179.168 176.870 -0.062 0.000 1.076 312 L CA 1.549 56.347 54.840 -0.069 0.000 0.749 312 L CB -0.756 41.326 42.059 0.039 0.000 0.893 312 L HN 0.054 nan 8.230 nan 0.000 0.432 313 V N -0.073 119.848 119.914 0.011 0.000 2.407 313 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 313 V C 2.482 178.485 176.094 -0.151 0.000 1.055 313 V CA 2.088 64.388 62.300 0.000 0.000 1.049 313 V CB -0.672 31.184 31.823 0.056 0.000 0.662 313 V HN 0.550 nan 8.190 nan 0.000 0.455 314 E N -0.093 120.038 120.200 -0.114 0.000 2.107 314 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 314 E C 2.174 178.673 176.600 -0.168 0.000 0.982 314 E CA 1.255 57.588 56.400 -0.112 0.000 0.809 314 E CB -0.170 29.495 29.700 -0.057 0.000 0.756 314 E HN 0.554 nan 8.360 nan 0.000 0.459 315 I N 1.446 121.879 120.570 -0.228 0.000 2.286 315 I HA -0.247 3.922 4.170 -0.001 0.000 0.248 315 I C 2.574 178.504 176.117 -0.311 0.000 1.115 315 I CA 0.852 61.978 61.300 -0.289 0.000 1.392 315 I CB -0.314 37.381 38.000 -0.508 0.000 1.065 315 I HN 0.069 nan 8.210 nan 0.000 0.418 316 A N 0.844 123.403 122.820 -0.436 0.000 1.902 316 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 316 A C 2.553 179.883 177.584 -0.424 0.000 1.181 316 A CA 1.879 53.546 52.037 -0.617 0.000 0.623 316 A CB -0.766 17.385 19.000 -1.414 0.000 0.818 316 A HN 0.428 nan 8.150 nan 0.000 0.443 317 A N -0.486 122.140 122.820 -0.323 0.000 1.898 317 A HA 0.022 4.341 4.320 -0.001 0.000 0.216 317 A C 2.118 179.612 177.584 -0.149 0.000 1.181 317 A CA 1.654 53.570 52.037 -0.200 0.000 0.620 317 A CB -0.617 18.299 19.000 -0.140 0.000 0.819 317 A HN 0.737 nan 8.150 nan 0.000 0.442 318 L N 0.015 121.154 121.223 -0.140 0.000 1.989 318 L HA -0.105 4.234 4.340 -0.001 0.000 0.211 318 L C 2.614 179.424 176.870 -0.100 0.000 1.071 318 L CA 2.485 57.267 54.840 -0.097 0.000 0.749 318 L CB -0.964 41.051 42.059 -0.074 0.000 0.890 318 L HN 0.327 nan 8.230 nan 0.000 0.431 319 A N -0.615 122.126 122.820 -0.132 0.000 1.902 319 A HA -0.265 4.054 4.320 -0.001 0.000 0.217 319 A C 2.467 179.981 177.584 -0.117 0.000 1.181 319 A CA 1.960 53.923 52.037 -0.122 0.000 0.623 319 A CB -0.681 18.228 19.000 -0.151 0.000 0.818 319 A HN 0.536 nan 8.150 nan 0.000 0.443 320 K N 0.458 120.774 120.400 -0.141 0.000 2.097 320 K HA -0.156 4.164 4.320 -0.001 0.000 0.206 320 K C 2.176 178.727 176.600 -0.082 0.000 1.049 320 K CA 1.726 57.944 56.287 -0.115 0.000 0.933 320 K CB -0.197 32.224 32.500 -0.133 0.000 0.717 320 K HN 0.614 nan 8.250 nan 0.000 0.442 321 S N 0.115 115.768 115.700 -0.078 0.000 2.447 321 S HA -0.094 4.375 4.470 -0.001 0.000 0.233 321 S C 1.526 176.097 174.600 -0.049 0.000 1.006 321 S CA 0.618 58.783 58.200 -0.057 0.000 0.957 321 S CB -0.150 63.018 63.200 -0.054 0.000 0.773 321 S HN 0.334 nan 8.310 nan 0.000 0.507 322 R N 0.538 121.005 120.500 -0.055 0.000 2.393 322 R HA 0.328 4.667 4.340 -0.001 0.000 0.244 322 R C 1.236 177.508 176.300 -0.047 0.000 0.920 322 R CA 0.305 56.376 56.100 -0.048 0.000 1.076 322 R CB 0.039 30.309 30.300 -0.050 0.000 1.119 322 R HN 0.512 nan 8.270 nan 0.000 0.524 323 G N 1.660 110.430 108.800 -0.050 0.000 2.198 323 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.260 323 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.260 323 G C -0.121 174.747 174.900 -0.053 0.000 1.025 323 G CA 0.328 45.400 45.100 -0.045 0.000 0.769 323 G HN 0.368 nan 8.290 nan 0.000 0.507 324 Q N -1.300 118.459 119.800 -0.069 0.000 2.306 324 Q HA 0.794 5.133 4.340 -0.001 0.000 0.269 324 Q C 0.426 176.362 176.000 -0.105 0.000 1.053 324 Q CA -1.019 54.735 55.803 -0.081 0.000 0.879 324 Q CB 1.622 30.311 28.738 -0.081 0.000 1.344 324 Q HN 0.311 nan 8.270 nan 0.000 0.464 325 L N 0.317 121.466 121.223 -0.123 0.000 2.375 325 L HA 0.664 5.003 4.340 -0.001 0.000 0.268 325 L C -0.627 176.133 176.870 -0.183 0.000 1.058 325 L CA -1.061 53.681 54.840 -0.163 0.000 0.803 325 L CB 1.354 43.296 42.059 -0.195 0.000 1.212 325 L HN 0.256 nan 8.230 nan 0.000 0.451 326 V N 2.046 121.842 119.914 -0.197 0.000 2.525 326 V HA 0.373 4.492 4.120 -0.001 0.000 0.299 326 V C -0.519 175.480 176.094 -0.158 0.000 1.034 326 V CA -0.512 61.685 62.300 -0.172 0.000 0.863 326 V CB 2.189 33.898 31.823 -0.191 0.000 0.999 326 V HN 0.428 nan 8.190 nan 0.000 0.423 327 V N 6.962 126.790 119.914 -0.142 0.000 2.340 327 V HA 0.350 4.469 4.120 -0.001 0.000 0.277 327 V C -2.436 173.677 176.094 0.031 0.000 1.017 327 V CA -1.830 60.417 62.300 -0.089 0.000 0.820 327 V CB 1.618 33.363 31.823 -0.129 0.000 1.028 327 V HN 0.684 nan 8.190 nan 0.000 0.436 328 P HA -0.005 nan 4.420 nan 0.000 0.269 328 P C -0.335 177.034 177.300 0.116 0.000 1.211 328 P CA 0.122 63.270 63.100 0.081 0.000 0.781 328 P CB 0.301 32.044 31.700 0.073 0.000 0.877 329 H N 2.308 121.371 119.070 -0.011 0.000 2.668 329 H HA 0.242 4.797 4.556 -0.001 0.000 0.303 329 H C 1.294 176.524 175.328 -0.164 0.000 1.074 329 H CA 0.767 56.776 56.048 -0.066 0.000 1.406 329 H CB -0.195 29.490 29.762 -0.129 0.000 1.442 329 H HN 0.702 nan 8.280 nan 0.000 0.482 330 G N 4.193 112.688 108.800 -0.508 0.000 2.698 330 G HA2 -0.431 3.528 3.960 -0.001 0.000 0.337 330 G HA3 -0.431 3.528 3.960 -0.001 0.000 0.337 330 G C 0.764 175.604 174.900 -0.100 0.000 1.286 330 G CA 1.878 46.742 45.100 -0.394 0.000 1.000 330 G HN 1.229 nan 8.290 nan 0.000 0.547 331 S N -1.926 113.791 115.700 0.029 0.000 2.691 331 S HA -0.237 4.232 4.470 -0.001 0.000 0.262 331 S C 1.657 176.261 174.600 0.007 0.000 1.284 331 S CA 1.979 60.277 58.200 0.163 0.000 1.372 331 S CB -1.746 61.525 63.200 0.120 0.000 1.693 331 S HN 2.692 nan 8.310 nan 0.000 0.647 332 S N -0.400 115.122 115.700 -0.296 0.000 3.711 332 S HA -0.365 4.104 4.470 -0.001 0.000 0.625 332 S C 1.503 175.514 174.600 -0.982 0.000 2.458 332 S CA 3.352 61.250 58.200 -0.503 0.000 4.059 332 S CB -1.301 61.744 63.200 -0.257 0.000 0.257 332 S HN 1.820 nan 8.310 nan 0.000 0.974 333 V N 0.114 119.655 119.914 -0.622 0.000 2.546 333 V HA -0.123 3.997 4.120 -0.001 0.000 0.254 333 V C 1.925 177.878 176.094 -0.236 0.000 1.076 333 V CA 2.706 64.821 62.300 -0.309 0.000 1.087 333 V CB -1.588 30.168 31.823 -0.112 0.000 0.674 333 V HN 0.741 nan 8.190 nan 0.000 0.470 334 Y N 1.096 121.250 120.300 -0.243 0.000 2.421 334 Y HA -0.006 4.543 4.550 -0.001 0.000 0.292 334 Y C 3.052 178.882 175.900 -0.117 0.000 1.136 334 Y CA 1.274 59.101 58.100 -0.456 0.000 1.255 334 Y CB -0.858 37.311 38.460 -0.485 0.000 0.991 334 Y HN 0.408 nan 8.280 nan 0.000 0.552 335 S N -1.430 114.257 115.700 -0.022 0.000 2.427 335 S HA -0.079 4.390 4.470 -0.001 0.000 0.224 335 S C 1.665 176.306 174.600 0.068 0.000 1.047 335 S CA 0.513 58.726 58.200 0.021 0.000 0.953 335 S CB -0.421 62.789 63.200 0.017 0.000 0.824 335 S HN 0.590 nan 8.310 nan 0.000 0.502 336 H N 0.191 119.301 119.070 0.067 0.000 2.321 336 H HA -0.122 4.433 4.556 -0.001 0.000 0.295 336 H C 2.019 177.276 175.328 -0.119 0.000 1.102 336 H CA 1.950 57.984 56.048 -0.024 0.000 1.266 336 H CB -0.311 29.451 29.762 -0.000 0.000 1.363 336 H HN 0.483 nan 8.280 nan 0.000 0.492 337 H N -0.274 118.897 119.070 0.168 0.000 2.491 337 H HA 0.014 4.569 4.556 -0.001 0.000 0.290 337 H C 2.200 177.494 175.328 -0.058 0.000 1.050 337 H CA 0.862 56.981 56.048 0.119 0.000 1.309 337 H CB 0.194 30.091 29.762 0.226 0.000 1.392 337 H HN 0.471 nan 8.280 nan 0.000 0.554 338 A N 0.703 123.483 122.820 -0.066 0.000 1.887 338 A HA -0.038 4.281 4.320 -0.001 0.000 0.210 338 A C 2.610 179.551 177.584 -1.073 0.000 1.221 338 A CA 1.022 52.771 52.037 -0.480 0.000 0.635 338 A CB -0.786 18.022 19.000 -0.320 0.000 0.881 338 A HN 0.248 nan 8.150 nan 0.000 0.456 339 V N -1.353 118.157 119.914 -0.674 0.000 2.626 339 V HA -0.122 3.997 4.120 -0.001 0.000 0.252 339 V C 2.087 177.955 176.094 -0.377 0.000 1.067 339 V CA 1.882 63.855 62.300 -0.544 0.000 1.081 339 V CB -0.784 30.953 31.823 -0.144 0.000 0.686 339 V HN 0.462 nan 8.190 nan 0.000 0.468 340 I N 1.980 122.351 120.570 -0.333 0.000 2.916 340 I HA -0.133 4.036 4.170 -0.001 0.000 0.267 340 I C 2.164 178.148 176.117 -0.221 0.000 1.263 340 I CA 1.668 62.800 61.300 -0.281 0.000 1.471 340 I CB -0.010 37.764 38.000 -0.378 0.000 1.089 340 I HN 0.655 nan 8.210 nan 0.000 0.468 341 T N -2.620 111.771 114.554 -0.273 0.000 3.054 341 T HA 0.165 4.514 4.350 -0.001 0.000 0.255 341 T C 0.266 174.996 174.700 0.049 0.000 1.035 341 T CA -0.334 61.694 62.100 -0.120 0.000 0.941 341 T CB -0.246 68.562 68.868 -0.100 0.000 1.026 341 T HN -0.039 nan 8.240 nan 0.000 0.533 342 F N 3.590 123.508 119.950 -0.053 0.000 2.391 342 F HA 0.400 4.926 4.527 -0.001 0.000 0.359 342 F C 1.944 177.702 175.800 -0.069 0.000 1.122 342 F CA -1.710 56.252 58.000 -0.064 0.000 1.120 342 F CB 1.115 40.065 39.000 -0.083 0.000 1.142 342 F HN 0.164 nan 8.300 nan 0.000 0.483 343 T N -1.641 112.990 114.554 0.129 0.000 2.881 343 T HA -0.197 4.152 4.350 -0.001 0.000 0.270 343 T C 1.079 175.789 174.700 0.017 0.000 1.068 343 T CA 1.281 63.409 62.100 0.047 0.000 1.131 343 T CB -0.320 68.561 68.868 0.022 0.000 0.871 343 T HN 0.500 nan 8.240 nan 0.000 0.479 344 N N 0.914 119.614 118.700 -0.000 0.000 2.346 344 N HA 0.058 4.797 4.740 -0.001 0.000 0.225 344 N C -0.608 174.850 175.510 -0.086 0.000 1.144 344 N CA -0.243 52.771 53.050 -0.059 0.000 0.837 344 N CB 0.006 38.431 38.487 -0.104 0.000 1.069 344 N HN 0.257 nan 8.380 nan 0.000 0.487 345 T N 2.203 116.735 114.554 -0.038 0.000 3.410 345 T HA 0.252 4.601 4.350 -0.001 0.000 0.328 345 T C -1.922 172.687 174.700 -0.152 0.000 1.567 345 T CA -0.935 61.097 62.100 -0.114 0.000 1.626 345 T CB 1.903 70.800 68.868 0.048 0.000 0.939 345 T HN 0.100 nan 8.240 nan 0.000 0.656 346 P HA 0.015 nan 4.420 nan 0.000 0.226 346 P C 0.005 177.375 177.300 0.118 0.000 1.153 346 P CA 0.700 63.791 63.100 -0.014 0.000 0.777 346 P CB -0.098 31.670 31.700 0.113 0.000 0.794 347 F N -3.403 116.603 119.950 0.093 0.000 2.686 347 F HA 0.727 5.253 4.527 -0.001 0.000 0.311 347 F C -0.721 175.113 175.800 0.057 0.000 1.128 347 F CA -1.326 56.723 58.000 0.082 0.000 0.946 347 F CB 0.518 39.705 39.000 0.310 0.000 1.336 347 F HN -0.445 nan 8.300 nan 0.000 0.457 348 S N -0.583 115.203 115.700 0.143 0.000 2.709 348 S HA 0.513 4.982 4.470 -0.001 0.000 0.302 348 S C -1.584 173.123 174.600 0.178 0.000 1.127 348 S CA -0.921 57.304 58.200 0.041 0.000 0.905 348 S CB 2.165 65.158 63.200 -0.346 0.000 1.151 348 S HN 0.809 nan 8.310 nan 0.000 0.510 349 E N 0.365 120.636 120.200 0.117 0.000 2.191 349 E HA 0.490 4.839 4.350 -0.001 0.000 0.274 349 E C -1.835 174.849 176.600 0.140 0.000 0.948 349 E CA -0.509 55.723 56.400 -0.280 0.000 0.802 349 E CB 0.903 30.404 29.700 -0.333 0.000 1.137 349 E HN 0.449 nan 8.360 nan 0.000 0.397 350 F N 6.068 125.910 119.950 -0.180 0.000 2.434 350 F HA 0.315 4.842 4.527 -0.001 0.000 0.355 350 F C -1.613 174.026 175.800 -0.269 0.000 1.115 350 F CA -1.089 56.805 58.000 -0.177 0.000 1.010 350 F CB 0.944 39.827 39.000 -0.194 0.000 1.234 350 F HN 0.400 nan 8.300 nan 0.000 0.439 351 L N 7.264 128.071 121.223 -0.694 0.000 2.278 351 L HA 0.372 4.711 4.340 -0.001 0.000 0.287 351 L C -0.302 176.246 176.870 -0.537 0.000 1.072 351 L CA -0.271 54.279 54.840 -0.484 0.000 0.819 351 L CB 0.442 42.233 42.059 -0.447 0.000 1.176 351 L HN 0.512 nan 8.230 nan 0.000 0.435 352 M N 4.584 124.032 119.600 -0.254 0.000 2.327 352 M HA 0.021 4.500 4.480 -0.001 0.000 0.353 352 M C 1.190 177.674 176.300 0.306 0.000 1.539 352 M CA 0.532 55.800 55.300 -0.053 0.000 1.039 352 M CB 0.250 32.794 32.600 -0.093 0.000 1.967 352 M HN 0.803 nan 8.290 nan 0.000 0.459 353 T N -1.398 113.258 114.554 0.171 0.000 3.022 353 T HA 0.058 4.407 4.350 -0.001 0.000 0.250 353 T C 0.915 175.839 174.700 0.373 0.000 1.060 353 T CA -0.171 62.113 62.100 0.306 0.000 1.013 353 T CB 0.140 69.100 68.868 0.152 0.000 0.982 353 T HN 0.592 nan 8.240 nan 0.000 0.508 354 S N 2.825 118.665 115.700 0.234 0.000 2.516 354 S HA 0.200 4.669 4.470 -0.001 0.000 0.282 354 S C -1.479 173.106 174.600 -0.024 0.000 1.286 354 S CA -1.202 57.070 58.200 0.120 0.000 1.066 354 S CB 0.901 64.160 63.200 0.099 0.000 0.884 354 S HN 0.021 nan 8.310 nan 0.000 0.491 355 P HA -0.142 nan 4.420 nan 0.000 0.216 355 P C 0.416 177.621 177.300 -0.158 0.000 1.154 355 P CA 1.436 64.198 63.100 -0.564 0.000 0.865 355 P CB 0.012 31.589 31.700 -0.205 0.000 0.789 356 D N -3.281 117.099 120.400 -0.034 0.000 2.462 356 D HA 0.054 4.694 4.640 -0.001 0.000 0.221 356 D C -0.204 176.076 176.300 -0.034 0.000 1.173 356 D CA -0.675 53.330 54.000 0.008 0.000 0.831 356 D CB -1.338 39.464 40.800 0.003 0.000 1.001 356 D HN 0.052 nan 8.370 nan 0.000 0.499 357 C N 0.926 120.194 119.300 -0.053 0.000 4.365 357 C HA -0.147 4.312 4.460 -0.001 0.000 0.299 357 C C 1.831 176.791 174.990 -0.049 0.000 1.409 357 C CA 0.927 59.875 59.018 -0.117 0.000 2.007 357 C CB -3.268 24.288 27.740 -0.307 0.000 1.264 357 C HN 0.626 nan 8.230 nan 0.000 0.777 358 S N -1.623 114.073 115.700 -0.006 0.000 2.512 358 S HA 0.309 4.778 4.470 -0.001 0.000 0.216 358 S C 0.436 175.055 174.600 0.031 0.000 1.006 358 S CA 0.776 58.980 58.200 0.006 0.000 0.915 358 S CB 0.428 63.629 63.200 0.001 0.000 0.824 358 S HN 1.103 nan 8.310 nan 0.000 0.497 359 T N -0.812 113.775 114.554 0.056 0.000 2.887 359 T HA 0.652 5.001 4.350 -0.001 0.000 0.292 359 T C -0.404 174.371 174.700 0.126 0.000 1.087 359 T CA -0.992 61.151 62.100 0.071 0.000 1.009 359 T CB 1.068 69.971 68.868 0.059 0.000 1.203 359 T HN 0.110 nan 8.240 nan 0.000 0.518 360 L N 1.303 122.592 121.223 0.109 0.000 2.796 360 L HA 0.365 4.704 4.340 -0.001 0.000 0.235 360 L C 1.220 178.212 176.870 0.202 0.000 1.344 360 L CA -0.642 54.286 54.840 0.148 0.000 1.245 360 L CB -0.419 41.630 42.059 -0.016 0.000 1.556 360 L HN 0.557 nan 8.230 nan 0.000 0.423 361 R N 1.897 122.531 120.500 0.225 0.000 2.522 361 R HA 0.133 4.472 4.340 -0.001 0.000 0.284 361 R C -2.179 174.273 176.300 0.254 0.000 1.032 361 R CA -1.295 54.919 56.100 0.190 0.000 1.049 361 R CB 0.518 30.914 30.300 0.161 0.000 0.956 361 R HN 0.025 nan 8.270 nan 0.000 0.422 362 P HA -0.095 nan 4.420 nan 0.000 0.265 362 P C -0.215 177.156 177.300 0.120 0.000 1.187 362 P CA 0.124 63.343 63.100 0.197 0.000 0.766 362 P CB 0.653 32.444 31.700 0.151 0.000 0.820 363 Q N 2.439 122.267 119.800 0.047 0.000 2.112 363 Q HA -0.162 4.177 4.340 -0.001 0.000 0.206 363 Q C 0.447 176.290 176.000 -0.261 0.000 0.987 363 Q CA 2.097 57.747 55.803 -0.256 0.000 0.858 363 Q CB -0.409 28.089 28.738 -0.401 0.000 0.905 363 Q HN 0.441 nan 8.270 nan 0.000 0.420 364 F N 0.164 120.146 119.950 0.054 0.000 2.791 364 F HA 0.273 4.799 4.527 -0.001 0.000 0.308 364 F C -0.405 175.424 175.800 0.047 0.000 1.138 364 F CA -1.380 56.634 58.000 0.024 0.000 1.294 364 F CB -0.126 38.891 39.000 0.028 0.000 0.975 364 F HN -0.044 nan 8.300 nan 0.000 0.512 365 D N 2.713 123.235 120.400 0.204 0.000 2.488 365 D HA 0.012 4.652 4.640 -0.001 0.000 0.238 365 D C -1.790 174.589 176.300 0.132 0.000 1.138 365 D CA -0.775 53.316 54.000 0.151 0.000 0.873 365 D CB 1.076 41.952 40.800 0.126 0.000 1.183 365 D HN 0.047 nan 8.370 nan 0.000 0.458 366 P HA 0.136 nan 4.420 nan 0.000 0.290 366 P C 0.944 178.284 177.300 0.067 0.000 1.519 366 P CA -0.258 62.888 63.100 0.078 0.000 1.189 366 P CB 0.220 31.945 31.700 0.042 0.000 1.569 367 I N -0.056 120.566 120.570 0.087 0.000 2.493 367 I HA -0.068 4.101 4.170 -0.001 0.000 0.254 367 I C 0.297 176.483 176.117 0.115 0.000 1.160 367 I CA 1.112 62.453 61.300 0.068 0.000 1.445 367 I CB -0.207 37.833 38.000 0.067 0.000 1.086 367 I HN -0.143 nan 8.210 nan 0.000 0.433 368 L N 1.096 122.425 121.223 0.176 0.000 2.272 368 L HA 0.364 4.703 4.340 -0.001 0.000 0.289 368 L C -0.442 176.525 176.870 0.161 0.000 1.032 368 L CA -0.216 54.761 54.840 0.229 0.000 0.810 368 L CB 1.088 43.304 42.059 0.263 0.000 1.205 368 L HN -0.066 nan 8.230 nan 0.000 0.422 369 L N 3.612 124.922 121.223 0.146 0.000 2.350 369 L HA 0.275 4.615 4.340 -0.001 0.000 0.275 369 L C 0.617 177.556 176.870 0.116 0.000 1.099 369 L CA -0.342 54.557 54.840 0.099 0.000 0.808 369 L CB 0.426 42.521 42.059 0.060 0.000 1.149 369 L HN 0.655 nan 8.230 nan 0.000 0.442 370 D N 1.431 121.885 120.400 0.091 0.000 2.870 370 D HA -0.219 4.420 4.640 -0.001 0.000 0.228 370 D C 0.354 176.718 176.300 0.106 0.000 1.147 370 D CA 0.816 54.869 54.000 0.088 0.000 0.757 370 D CB -0.443 40.411 40.800 0.090 0.000 1.091 370 D HN 0.659 nan 8.370 nan 0.000 0.429 371 E N 0.834 121.103 120.200 0.114 0.000 2.299 371 E HA 0.207 4.556 4.350 -0.001 0.000 0.272 371 E C -1.885 174.779 176.600 0.107 0.000 1.043 371 E CA -1.337 55.139 56.400 0.126 0.000 0.895 371 E CB 0.702 30.491 29.700 0.148 0.000 1.011 371 E HN 0.192 nan 8.360 nan 0.000 0.432 372 P HA 0.018 nan 4.420 nan 0.000 0.272 372 P C -0.759 176.570 177.300 0.048 0.000 1.223 372 P CA -0.219 62.923 63.100 0.069 0.000 0.784 372 P CB 0.967 32.713 31.700 0.077 0.000 0.923 373 V N -1.823 118.062 119.914 -0.048 0.000 3.007 373 V HA 0.577 4.696 4.120 -0.001 0.000 0.311 373 V C -2.887 173.012 176.094 -0.326 0.000 1.120 373 V CA -3.076 59.125 62.300 -0.166 0.000 0.980 373 V CB 1.148 32.902 31.823 -0.116 0.000 1.033 373 V HN 0.276 nan 8.190 nan 0.000 0.429 374 P HA 0.265 nan 4.420 nan 0.000 0.266 374 P C -0.777 176.268 177.300 -0.424 0.000 1.195 374 P CA 0.137 62.882 63.100 -0.591 0.000 0.768 374 P CB 0.688 31.833 31.700 -0.925 0.000 0.838 375 V N 3.968 123.699 119.914 -0.305 0.000 2.378 375 V HA 0.260 4.380 4.120 -0.001 0.000 0.288 375 V C 0.630 176.572 176.094 -0.253 0.000 1.016 375 V CA -0.366 61.792 62.300 -0.236 0.000 0.840 375 V CB 0.653 32.386 31.823 -0.151 0.000 0.994 375 V HN 0.767 nan 8.190 nan 0.000 0.431 376 N N 4.297 122.827 118.700 -0.283 0.000 2.735 376 N HA -0.196 4.544 4.740 -0.001 0.000 0.248 376 N C 0.970 176.252 175.510 -0.380 0.000 1.083 376 N CA 1.705 54.591 53.050 -0.275 0.000 0.703 376 N CB -1.024 37.360 38.487 -0.172 0.000 1.005 376 N HN 1.679 nan 8.380 nan 0.000 0.550 377 G N -1.215 107.182 108.800 -0.672 0.000 2.168 377 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.257 377 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.257 377 G C 0.142 174.883 174.900 -0.264 0.000 0.997 377 G CA 0.895 45.463 45.100 -0.887 0.000 0.708 377 G HN 0.776 nan 8.290 nan 0.000 0.520 378 R N -1.337 119.057 120.500 -0.177 0.000 2.774 378 R HA 0.782 5.121 4.340 -0.001 0.000 0.272 378 R C -0.672 175.629 176.300 0.003 0.000 1.000 378 R CA -0.964 55.154 56.100 0.030 0.000 0.906 378 R CB 1.680 31.961 30.300 -0.032 0.000 1.227 378 R HN 0.136 nan 8.270 nan 0.000 0.468 379 I N 1.610 122.228 120.570 0.079 0.000 2.468 379 I HA 0.215 4.384 4.170 -0.001 0.000 0.284 379 I C -0.321 175.766 176.117 -0.050 0.000 1.038 379 I CA -0.695 60.597 61.300 -0.013 0.000 1.083 379 I CB 1.452 39.416 38.000 -0.060 0.000 1.223 379 I HN 0.502 nan 8.210 nan 0.000 0.443 380 H N 6.831 125.837 119.070 -0.107 0.000 2.707 380 H HA 0.080 4.635 4.556 -0.001 0.000 0.359 380 H C 0.831 176.068 175.328 -0.152 0.000 1.113 380 H CA 0.491 56.471 56.048 -0.114 0.000 1.422 380 H CB 1.545 31.257 29.762 -0.084 0.000 1.443 380 H HN 0.687 nan 8.280 nan 0.000 0.591 381 K N 1.282 121.363 120.400 -0.532 0.000 2.211 381 K HA -0.152 4.167 4.320 -0.001 0.000 0.204 381 K C 1.785 178.333 176.600 -0.087 0.000 1.047 381 K CA 1.641 57.677 56.287 -0.417 0.000 0.935 381 K CB -0.091 32.096 32.500 -0.521 0.000 0.728 381 K HN 0.456 nan 8.250 nan 0.000 0.452 382 S N 0.872 116.730 115.700 0.264 0.000 2.442 382 S HA -0.081 4.389 4.470 -0.001 0.000 0.236 382 S C 1.982 176.661 174.600 0.130 0.000 1.007 382 S CA 0.973 59.311 58.200 0.230 0.000 0.965 382 S CB -0.501 62.829 63.200 0.218 0.000 0.773 382 S HN 0.170 nan 8.310 nan 0.000 0.504 383 V N 1.645 121.617 119.914 0.096 0.000 2.759 383 V HA 0.047 4.166 4.120 -0.001 0.000 0.256 383 V C 2.002 178.136 176.094 0.066 0.000 1.080 383 V CA 1.270 63.602 62.300 0.054 0.000 1.101 383 V CB -0.733 31.102 31.823 0.020 0.000 0.698 383 V HN 0.557 nan 8.190 nan 0.000 0.477 384 L N -0.780 120.464 121.223 0.036 0.000 2.592 384 L HA 0.183 4.522 4.340 -0.001 0.000 0.227 384 L C 0.374 177.426 176.870 0.303 0.000 1.127 384 L CA 0.079 54.970 54.840 0.085 0.000 0.884 384 L CB -0.226 41.673 42.059 -0.267 0.000 1.065 384 L HN 0.206 nan 8.230 nan 0.000 0.457 385 D N 2.613 123.160 120.400 0.244 0.000 2.767 385 D HA 0.151 4.790 4.640 -0.001 0.000 0.231 385 D C 0.185 176.575 176.300 0.150 0.000 1.105 385 D CA 0.594 54.727 54.000 0.222 0.000 1.024 385 D CB 0.144 41.043 40.800 0.165 0.000 1.123 385 D HN 0.278 nan 8.370 nan 0.000 0.470 386 K N 0.938 121.443 120.400 0.176 0.000 2.477 386 K HA 0.385 4.704 4.320 -0.001 0.000 0.255 386 K C -2.675 173.977 176.600 0.087 0.000 0.952 386 K CA -1.887 54.473 56.287 0.120 0.000 0.826 386 K CB 2.998 35.581 32.500 0.137 0.000 1.331 386 K HN -0.079 nan 8.250 nan 0.000 0.437 387 P HA -0.062 nan 4.420 nan 0.000 0.268 387 P C 0.568 177.835 177.300 -0.055 0.000 1.205 387 P CA 0.806 63.895 63.100 -0.018 0.000 0.771 387 P CB 0.623 32.319 31.700 -0.005 0.000 0.858 388 G N 2.958 111.662 108.800 -0.159 0.000 2.583 388 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.292 388 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.292 388 G C 0.255 174.811 174.900 -0.574 0.000 1.203 388 G CA 0.277 45.199 45.100 -0.297 0.000 0.987 388 G HN 0.414 nan 8.290 nan 0.000 0.554 389 F N 3.095 122.912 119.950 -0.223 0.000 2.692 389 F HA 0.427 4.953 4.527 -0.002 0.000 0.303 389 F C 2.190 177.942 175.800 -0.081 0.000 1.114 389 F CA 1.122 58.897 58.000 -0.375 0.000 1.361 389 F CB 0.263 39.153 39.000 -0.183 0.000 1.063 389 F HN 1.526 nan 8.300 nan 0.000 0.550 390 G N 0.795 109.664 108.800 0.114 0.000 2.166 390 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.260 390 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.260 390 G C 0.165 175.176 174.900 0.185 0.000 0.986 390 G CA 0.473 45.680 45.100 0.179 0.000 0.683 390 G HN 0.519 nan 8.290 nan 0.000 0.527 391 V N -4.347 115.690 119.914 0.205 0.000 3.126 391 V HA 0.959 5.078 4.120 -0.001 0.000 0.314 391 V C -0.242 176.095 176.094 0.405 0.000 1.138 391 V CA -1.412 61.039 62.300 0.251 0.000 1.034 391 V CB 2.113 34.073 31.823 0.227 0.000 1.075 391 V HN 0.239 nan 8.190 nan 0.000 0.442 392 E N 0.654 121.073 120.200 0.365 0.000 2.277 392 E HA 0.546 4.896 4.350 -0.001 0.000 0.266 392 E C -1.559 175.082 176.600 0.069 0.000 0.901 392 E CA -1.078 55.488 56.400 0.277 0.000 0.782 392 E CB 2.598 32.361 29.700 0.105 0.000 1.228 392 E HN 0.713 nan 8.360 nan 0.000 0.424 393 L N 2.845 123.753 121.223 -0.525 0.000 2.360 393 L HA 0.147 4.486 4.340 -0.001 0.000 0.276 393 L C -0.181 176.497 176.870 -0.320 0.000 1.121 393 L CA -0.081 54.331 54.840 -0.714 0.000 0.845 393 L CB 0.195 41.556 42.059 -1.164 0.000 1.143 393 L HN 0.373 nan 8.230 nan 0.000 0.452 394 N N 4.368 122.954 118.700 -0.191 0.000 2.466 394 N HA 0.079 4.818 4.740 -0.001 0.000 0.263 394 N C 0.634 176.021 175.510 -0.206 0.000 1.178 394 N CA 0.300 53.264 53.050 -0.142 0.000 0.983 394 N CB 0.143 38.586 38.487 -0.074 0.000 1.331 394 N HN 0.608 nan 8.380 nan 0.000 0.500 395 R N 1.499 121.862 120.500 -0.228 0.000 2.339 395 R HA -0.022 4.317 4.340 -0.001 0.000 0.199 395 R C 0.045 176.218 176.300 -0.212 0.000 1.018 395 R CA 0.440 56.383 56.100 -0.263 0.000 1.036 395 R CB 0.314 30.458 30.300 -0.260 0.000 0.899 395 R HN 0.462 nan 8.270 nan 0.000 0.473 396 D N -0.143 120.148 120.400 -0.181 0.000 2.317 396 D HA -0.035 4.604 4.640 -0.001 0.000 0.211 396 D C 0.234 176.356 176.300 -0.297 0.000 0.966 396 D CA 0.547 54.437 54.000 -0.183 0.000 0.876 396 D CB 0.115 40.834 40.800 -0.134 0.000 0.927 396 D HN 0.132 nan 8.370 nan 0.000 0.519 397 C N 1.448 120.582 119.300 -0.278 0.000 2.652 397 C HA 0.078 4.537 4.460 -0.001 0.000 0.412 397 C C 0.767 175.550 174.990 -0.346 0.000 1.294 397 C CA -0.659 58.160 59.018 -0.332 0.000 2.127 397 C CB 0.001 27.627 27.740 -0.190 0.000 2.691 397 C HN 0.380 nan 8.230 nan 0.000 0.615 398 H N 2.815 121.827 119.070 -0.097 0.000 3.195 398 H HA 0.163 4.718 4.556 -0.002 0.000 0.241 398 H C -0.065 175.166 175.328 -0.161 0.000 1.823 398 H CA -0.218 55.761 56.048 -0.114 0.000 1.466 398 H CB -0.526 29.185 29.762 -0.085 0.000 1.819 398 H HN 0.347 nan 8.280 nan 0.000 0.575 399 L N 2.005 123.151 121.223 -0.128 0.000 2.490 399 L HA 0.022 4.361 4.340 -0.001 0.000 0.274 399 L C 0.854 177.661 176.870 -0.106 0.000 1.201 399 L CA 0.749 55.481 54.840 -0.179 0.000 0.869 399 L CB 0.306 42.120 42.059 -0.409 0.000 1.123 399 L HN 0.237 nan 8.230 nan 0.000 0.484 400 K N 2.760 123.048 120.400 -0.187 0.000 2.259 400 K HA 0.549 4.868 4.320 -0.001 0.000 0.252 400 K C -0.493 176.160 176.600 0.089 0.000 0.936 400 K CA -1.027 55.135 56.287 -0.208 0.000 0.810 400 K CB 2.020 34.068 32.500 -0.753 0.000 1.143 400 K HN 0.208 nan 8.250 nan 0.000 0.427 401 R N 3.560 124.143 120.500 0.139 0.000 2.396 401 R HA 0.189 4.528 4.340 -0.001 0.000 0.292 401 R C -1.738 174.567 176.300 0.008 0.000 1.240 401 R CA -1.575 54.554 56.100 0.048 0.000 1.270 401 R CB 0.382 30.685 30.300 0.006 0.000 1.108 401 R HN 0.403 nan 8.270 nan 0.000 0.573 402 P HA -0.060 nan 4.420 nan 0.000 0.223 402 P C -0.738 176.237 177.300 -0.541 0.000 1.151 402 P CA 1.012 63.969 63.100 -0.237 0.000 0.787 402 P CB 0.309 31.860 31.700 -0.248 0.000 0.788 403 Y N -0.638 119.695 120.300 0.055 0.000 2.581 403 Y HA 0.491 5.041 4.550 -0.001 0.000 0.345 403 Y C 0.623 176.504 175.900 -0.031 0.000 1.036 403 Y CA -0.754 57.352 58.100 0.010 0.000 1.042 403 Y CB 1.883 40.338 38.460 -0.008 0.000 1.289 403 Y HN -0.139 nan 8.280 nan 0.000 0.471 404 S N 0.314 116.107 115.700 0.155 0.000 2.638 404 S HA 0.801 5.270 4.470 -0.001 0.000 0.274 404 S C -1.554 173.111 174.600 0.109 0.000 1.157 404 S CA -0.746 57.489 58.200 0.058 0.000 0.826 404 S CB 2.790 65.969 63.200 -0.035 0.000 1.139 404 S HN 0.997 nan 8.310 nan 0.000 0.474 405 H N 0.000 119.036 119.070 -0.056 0.000 2.539 405 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 405 H CA 0.000 56.015 56.048 -0.054 0.000 1.023 405 H CB 0.000 29.718 29.762 -0.073 0.000 1.292 405 H HN 0.000 nan 8.280 nan 0.000 0.496