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 3lmm_1_C DATA FIRST_RESID 9 DATA SEQUENCE EGRREQLIAQ VESILASAAD GRVQKTKETQ SVDFKEEAGR RNGPQIEPGK DATA SEQUENCE PENPEAADKL ADEVAcXANT PGGGALIVGI EDKTGRIIGT ELDIDWLRQG DATA SEQUENCE IFTRIDVAPD VVAKRVLGQR VLAIYVAAAA EPIEDTSDRL RWRVGDScRP DATA SEQUENCE VDRAEWWEYQ RAQSGFDPXA QVTTATLGDA RPAALALARK WDPAFAELTD DATA SEQUENCE EELLRGIGAL DAEGFLSQAG KLLFTSLDRT AIELSIFDVH GGQVLNRVVP DATA SEQUENCE EPEKSCLEQL DYLEQALNVV NKNXXXXXXX XXXXVPEIPR LAVREAXLNA DATA SEQUENCE XIHRDWNRSE PIDVRWIELD STLIVRSPGG FPAAITSENV LSNRAARYPA DATA SEQUENCE LADLYRALGL VDKQGVGVDR XYQAXIALGH RPPTIEEIAG PFVETTLVGG DATA SEQUENCE RPVLPVLELV SSIVPEARQD DYRIAIVLYL LFQRPFITID VVARGLQSGK DATA SEQUENCE EAARNALEAA RQTTVAGAPL IIAHDGVWLL GNACREIL 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 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.594 176.600 -0.009 0.000 1.382 9 E CA 0.000 56.401 56.400 0.002 0.000 0.976 9 E CB 0.000 29.707 29.700 0.012 0.000 0.812 10 G N 0.561 109.357 108.800 -0.006 0.000 2.776 10 G HA2 -0.178 3.782 3.960 0.000 0.000 0.209 10 G HA3 -0.178 3.782 3.960 0.000 0.000 0.209 10 G C 1.201 176.092 174.900 -0.015 0.000 1.145 10 G CA 0.938 46.031 45.100 -0.011 0.000 0.791 10 G HN 0.303 nan 8.290 nan 0.000 0.530 11 R N 0.029 120.522 120.500 -0.011 0.000 2.066 11 R HA 0.075 4.415 4.340 0.000 0.000 0.224 11 R C 2.497 178.780 176.300 -0.028 0.000 1.122 11 R CA 0.779 56.874 56.100 -0.008 0.000 0.974 11 R CB -0.216 30.089 30.300 0.007 0.000 0.871 11 R HN 0.168 nan 8.270 nan 0.000 0.435 12 R N 1.314 121.786 120.500 -0.047 0.000 2.117 12 R HA -0.171 4.169 4.340 0.000 0.000 0.243 12 R C 1.540 177.741 176.300 -0.165 0.000 1.143 12 R CA 2.279 58.309 56.100 -0.117 0.000 0.968 12 R CB -0.279 29.948 30.300 -0.122 0.000 0.863 12 R HN 0.443 nan 8.270 nan 0.000 0.444 13 E N -0.282 119.857 120.200 -0.102 0.000 2.072 13 E HA -0.236 4.114 4.350 0.000 0.000 0.191 13 E C 1.969 178.530 176.600 -0.064 0.000 0.985 13 E CA 1.447 57.793 56.400 -0.090 0.000 0.801 13 E CB -0.187 29.481 29.700 -0.054 0.000 0.750 13 E HN 0.547 nan 8.360 nan 0.000 0.452 14 Q N 0.522 120.299 119.800 -0.038 0.000 2.084 14 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 14 Q C 2.029 178.032 176.000 0.005 0.000 0.978 14 Q CA 1.028 56.825 55.803 -0.011 0.000 0.844 14 Q CB 0.016 28.753 28.738 -0.003 0.000 0.898 14 Q HN 0.174 nan 8.270 nan 0.000 0.426 15 L N 0.766 121.989 121.223 0.001 0.000 1.976 15 L HA -0.176 4.164 4.340 0.000 0.000 0.209 15 L C 2.302 179.235 176.870 0.104 0.000 1.071 15 L CA 1.639 56.521 54.840 0.070 0.000 0.746 15 L CB -0.715 41.403 42.059 0.098 0.000 0.890 15 L HN 0.337 nan 8.230 nan 0.000 0.432 16 I N -0.885 119.638 120.570 -0.077 0.000 2.194 16 I HA -0.391 3.779 4.170 0.000 0.000 0.246 16 I C 2.556 178.711 176.117 0.065 0.000 1.093 16 I CA 1.364 62.636 61.300 -0.046 0.000 1.355 16 I CB -0.597 37.272 38.000 -0.219 0.000 1.046 16 I HN 0.298 nan 8.210 nan 0.000 0.413 17 A N 0.181 123.017 122.820 0.025 0.000 1.865 17 A HA -0.291 4.029 4.320 0.000 0.000 0.217 17 A C 2.262 179.885 177.584 0.064 0.000 1.191 17 A CA 1.833 53.892 52.037 0.036 0.000 0.623 17 A CB -0.756 18.256 19.000 0.019 0.000 0.826 17 A HN 0.484 nan 8.150 nan 0.000 0.444 18 Q N -0.565 119.281 119.800 0.076 0.000 2.077 18 Q HA -0.171 4.169 4.340 0.000 0.000 0.206 18 Q C 2.161 178.232 176.000 0.119 0.000 0.989 18 Q CA 1.948 57.805 55.803 0.089 0.000 0.853 18 Q CB -0.483 28.310 28.738 0.091 0.000 0.907 18 Q HN 0.506 nan 8.270 nan 0.000 0.418 19 V N 1.206 121.216 119.914 0.160 0.000 2.343 19 V HA -0.230 3.890 4.120 0.000 0.000 0.247 19 V C 2.167 178.331 176.094 0.117 0.000 1.051 19 V CA 1.663 64.061 62.300 0.163 0.000 1.036 19 V CB -0.509 31.448 31.823 0.223 0.000 0.654 19 V HN 0.312 nan 8.190 nan 0.000 0.451 20 E N 0.235 120.498 120.200 0.106 0.000 2.051 20 E HA -0.200 4.150 4.350 0.000 0.000 0.192 20 E C 2.542 179.177 176.600 0.058 0.000 0.991 20 E CA 1.702 58.145 56.400 0.072 0.000 0.799 20 E CB -0.674 29.061 29.700 0.058 0.000 0.748 20 E HN 0.610 nan 8.360 nan 0.000 0.449 21 S N 0.685 116.423 115.700 0.062 0.000 2.359 21 S HA -0.169 4.301 4.470 0.000 0.000 0.223 21 S C 2.166 176.803 174.600 0.062 0.000 1.039 21 S CA 1.272 59.505 58.200 0.055 0.000 1.042 21 S CB -0.340 62.894 63.200 0.055 0.000 0.915 21 S HN 0.219 nan 8.310 nan 0.000 0.439 22 I N 1.165 121.787 120.570 0.087 0.000 2.179 22 I HA -0.171 3.999 4.170 0.000 0.000 0.242 22 I C 2.407 178.553 176.117 0.049 0.000 1.088 22 I CA 1.318 62.682 61.300 0.106 0.000 1.357 22 I CB -0.424 37.694 38.000 0.196 0.000 1.051 22 I HN 0.345 nan 8.210 nan 0.000 0.409 23 L N 0.536 121.777 121.223 0.029 0.000 2.083 23 L HA -0.186 4.154 4.340 0.000 0.000 0.209 23 L C 2.830 179.703 176.870 0.005 0.000 1.083 23 L CA 1.187 56.025 54.840 -0.003 0.000 0.752 23 L CB -0.763 41.297 42.059 0.001 0.000 0.899 23 L HN 0.245 nan 8.230 nan 0.000 0.433 24 A N 0.135 122.967 122.820 0.020 0.000 2.076 24 A HA -0.199 4.121 4.320 0.000 0.000 0.220 24 A C 2.382 179.976 177.584 0.015 0.000 1.160 24 A CA 1.853 53.900 52.037 0.018 0.000 0.653 24 A CB -0.524 18.489 19.000 0.023 0.000 0.801 24 A HN 0.537 nan 8.150 nan 0.000 0.455 25 S N -0.471 115.241 115.700 0.020 0.000 2.593 25 S HA 0.485 4.955 4.470 0.000 0.000 0.217 25 S C 0.893 175.498 174.600 0.010 0.000 0.966 25 S CA 0.316 58.528 58.200 0.020 0.000 0.914 25 S CB -0.736 62.485 63.200 0.035 0.000 0.776 25 S HN 0.982 nan 8.310 nan 0.000 0.523 26 A N 1.356 124.174 122.820 -0.002 0.000 2.573 26 A HA 0.530 4.851 4.320 0.000 0.000 0.250 26 A C 0.525 178.104 177.584 -0.007 0.000 1.049 26 A CA 0.471 52.500 52.037 -0.014 0.000 0.767 26 A CB -0.824 18.162 19.000 -0.023 0.000 0.965 26 A HN 1.595 nan 8.150 nan 0.000 0.514 27 A N 3.264 126.079 122.820 -0.007 0.000 2.572 27 A HA 0.547 4.868 4.320 0.000 0.000 0.303 27 A C -0.105 177.478 177.584 -0.003 0.000 1.059 27 A CA 0.220 52.255 52.037 -0.003 0.000 0.788 27 A CB 0.618 19.619 19.000 0.002 0.000 1.282 27 A HN 1.329 nan 8.150 nan 0.000 0.397 28 D N 1.155 121.552 120.400 -0.004 0.000 2.873 28 D HA -0.139 4.501 4.640 0.000 0.000 0.228 28 D C 1.075 177.371 176.300 -0.006 0.000 1.122 28 D CA 2.559 56.558 54.000 -0.003 0.000 0.758 28 D CB -1.013 39.788 40.800 0.002 0.000 1.094 28 D HN 2.542 nan 8.370 nan 0.000 0.434 29 G N 0.696 109.489 108.800 -0.012 0.000 2.179 29 G HA2 -0.332 3.628 3.960 0.000 0.000 0.257 29 G HA3 -0.332 3.628 3.960 0.000 0.000 0.257 29 G C 0.241 175.127 174.900 -0.023 0.000 1.010 29 G CA 1.517 46.607 45.100 -0.017 0.000 0.736 29 G HN 0.907 nan 8.290 nan 0.000 0.513 30 R N -2.377 118.109 120.500 -0.024 0.000 2.690 30 R HA 0.702 5.042 4.340 0.000 0.000 0.269 30 R C -0.544 175.738 176.300 -0.029 0.000 1.037 30 R CA -0.601 55.480 56.100 -0.031 0.000 0.877 30 R CB 1.172 31.468 30.300 -0.007 0.000 1.255 30 R HN 0.980 nan 8.270 nan 0.000 0.467 31 V N -1.193 118.690 119.914 -0.051 0.000 2.881 31 V HA 0.629 4.749 4.120 0.000 0.000 0.316 31 V C -0.532 175.602 176.094 0.066 0.000 1.070 31 V CA -0.854 61.430 62.300 -0.027 0.000 0.976 31 V CB 1.768 33.523 31.823 -0.113 0.000 1.038 31 V HN 0.852 nan 8.190 nan 0.000 0.446 32 Q N 1.064 120.925 119.800 0.101 0.000 2.387 32 Q HA 0.546 4.886 4.340 0.000 0.000 0.273 32 Q C -1.029 175.077 176.000 0.176 0.000 1.089 32 Q CA -0.847 55.041 55.803 0.142 0.000 0.824 32 Q CB 3.156 31.942 28.738 0.080 0.000 1.367 32 Q HN 0.756 nan 8.270 nan 0.000 0.443 33 K N 0.368 120.863 120.400 0.157 0.000 2.095 33 K HA 0.519 4.839 4.320 0.000 0.000 0.252 33 K C -0.495 176.133 176.600 0.048 0.000 0.977 33 K CA -0.194 56.152 56.287 0.098 0.000 0.900 33 K CB 1.690 34.180 32.500 -0.018 0.000 1.060 33 K HN 0.511 nan 8.250 nan 0.000 0.449 34 T N -0.432 114.142 114.554 0.032 0.000 2.901 34 T HA 0.158 4.508 4.350 0.000 0.000 0.293 34 T C 0.866 175.568 174.700 0.004 0.000 1.084 34 T CA -0.707 61.405 62.100 0.020 0.000 1.008 34 T CB 1.427 70.312 68.868 0.028 0.000 1.170 34 T HN 0.659 nan 8.240 nan 0.000 0.509 35 K N 0.635 121.035 120.400 -0.000 0.000 2.144 35 K HA -0.165 4.155 4.320 0.000 0.000 0.209 35 K C 1.239 177.834 176.600 -0.008 0.000 1.047 35 K CA 1.803 58.086 56.287 -0.008 0.000 0.927 35 K CB 0.021 32.518 32.500 -0.005 0.000 0.716 35 K HN 0.533 nan 8.250 nan 0.000 0.454 36 E N -0.383 119.818 120.200 0.002 0.000 2.427 36 E HA -0.054 4.296 4.350 0.000 0.000 0.196 36 E C 1.280 177.886 176.600 0.010 0.000 1.028 36 E CA 1.206 57.609 56.400 0.005 0.000 0.864 36 E CB 0.466 30.173 29.700 0.012 0.000 0.813 36 E HN 0.553 nan 8.360 nan 0.000 0.514 37 T N -3.546 111.014 114.554 0.010 0.000 3.145 37 T HA 0.108 4.458 4.350 0.000 0.000 0.281 37 T C 1.418 176.101 174.700 -0.028 0.000 1.003 37 T CA -0.282 61.828 62.100 0.016 0.000 0.901 37 T CB 0.490 69.391 68.868 0.055 0.000 1.112 37 T HN -0.061 nan 8.240 nan 0.000 0.535 38 Q N 1.732 121.504 119.800 -0.046 0.000 2.173 38 Q HA -0.159 4.181 4.340 0.000 0.000 0.208 38 Q C 1.737 177.662 176.000 -0.125 0.000 0.989 38 Q CA 1.990 57.740 55.803 -0.089 0.000 0.872 38 Q CB -0.351 28.348 28.738 -0.065 0.000 0.909 38 Q HN 0.567 nan 8.270 nan 0.000 0.420 39 S N -0.391 115.258 115.700 -0.085 0.000 2.496 39 S HA 0.051 4.521 4.470 0.000 0.000 0.224 39 S C 0.388 174.939 174.600 -0.083 0.000 0.996 39 S CA -0.004 58.146 58.200 -0.083 0.000 0.927 39 S CB 0.296 63.465 63.200 -0.051 0.000 0.774 39 S HN 0.174 nan 8.310 nan 0.000 0.524 40 V N 3.565 123.436 119.914 -0.072 0.000 2.617 40 V HA -0.011 4.109 4.120 0.000 0.000 0.304 40 V C 0.425 176.449 176.094 -0.117 0.000 1.040 40 V CA -0.047 62.241 62.300 -0.021 0.000 1.149 40 V CB 0.256 32.129 31.823 0.083 0.000 0.914 40 V HN 0.262 nan 8.190 nan 0.000 0.487 41 D N 4.908 125.304 120.400 -0.006 0.000 2.316 41 D HA 0.228 4.868 4.640 0.000 0.000 0.245 41 D C -0.341 176.083 176.300 0.208 0.000 1.171 41 D CA -0.077 53.928 54.000 0.008 0.000 0.856 41 D CB 0.341 41.159 40.800 0.030 0.000 1.090 41 D HN 0.387 nan 8.370 nan 0.000 0.476 42 F N 3.334 123.282 119.950 -0.004 0.000 2.410 42 F HA 0.305 4.833 4.527 0.000 0.000 0.348 42 F C 1.230 177.028 175.800 -0.004 0.000 1.106 42 F CA -0.572 57.424 58.000 -0.006 0.000 1.163 42 F CB 1.248 40.247 39.000 -0.002 0.000 1.129 42 F HN -0.084 nan 8.300 nan 0.000 0.516 43 K N 2.852 123.355 120.400 0.171 0.000 2.468 43 K HA 0.217 4.537 4.320 0.000 0.000 0.252 43 K C -1.210 175.422 176.600 0.052 0.000 0.932 43 K CA -0.694 55.649 56.287 0.094 0.000 0.794 43 K CB 2.653 35.195 32.500 0.069 0.000 1.241 43 K HN 0.665 nan 8.250 nan 0.000 0.428 44 E N 2.373 122.600 120.200 0.045 0.000 2.151 44 E HA 0.078 4.428 4.350 0.000 0.000 0.275 44 E C -0.744 175.871 176.600 0.025 0.000 0.936 44 E CA -0.364 56.051 56.400 0.025 0.000 0.777 44 E CB 1.171 30.886 29.700 0.025 0.000 1.108 44 E HN 0.461 nan 8.360 nan 0.000 0.401 45 E N 2.940 123.151 120.200 0.019 0.000 2.608 45 E HA 0.012 4.362 4.350 0.000 0.000 0.259 45 E C -0.956 175.659 176.600 0.024 0.000 0.951 45 E CA -0.010 56.405 56.400 0.025 0.000 0.945 45 E CB 0.543 30.253 29.700 0.017 0.000 0.916 45 E HN 0.519 nan 8.360 nan 0.000 0.477 46 A N 3.144 125.984 122.820 0.032 0.000 2.302 46 A HA 0.584 4.904 4.320 0.000 0.000 0.285 46 A C 1.026 178.624 177.584 0.023 0.000 1.105 46 A CA 0.237 52.290 52.037 0.028 0.000 0.816 46 A CB 0.838 19.857 19.000 0.032 0.000 1.067 46 A HN 1.021 nan 8.150 nan 0.000 0.489 47 G N 0.334 109.144 108.800 0.017 0.000 2.176 47 G HA2 -0.190 3.770 3.960 0.000 0.000 0.232 47 G HA3 -0.190 3.770 3.960 0.000 0.000 0.232 47 G C 0.634 175.536 174.900 0.004 0.000 0.986 47 G CA 0.441 45.548 45.100 0.012 0.000 0.643 47 G HN 0.757 nan 8.290 nan 0.000 0.522 48 R N -0.584 119.918 120.500 0.003 0.000 2.472 48 R HA 0.200 4.540 4.340 0.000 0.000 0.279 48 R C 0.320 176.619 176.300 -0.001 0.000 0.953 48 R CA -0.578 55.520 56.100 -0.002 0.000 1.088 48 R CB 0.458 30.754 30.300 -0.005 0.000 1.197 48 R HN 0.015 nan 8.270 nan 0.000 0.536 49 R N 1.955 122.457 120.500 0.003 0.000 2.248 49 R HA 0.113 4.453 4.340 0.000 0.000 0.337 49 R C -0.023 176.278 176.300 0.003 0.000 1.106 49 R CA -0.069 56.033 56.100 0.004 0.000 0.959 49 R CB 0.172 30.476 30.300 0.007 0.000 1.075 49 R HN 0.067 nan 8.270 nan 0.000 0.480 50 N N 2.212 120.912 118.700 0.001 0.000 2.671 50 N HA 0.066 4.806 4.740 0.000 0.000 0.303 50 N C 0.693 176.204 175.510 0.001 0.000 1.351 50 N CA 0.625 53.676 53.050 0.000 0.000 0.991 50 N CB 0.433 38.919 38.487 -0.002 0.000 1.307 50 N HN 0.819 nan 8.380 nan 0.000 0.512 51 G N 2.025 110.826 108.800 0.003 0.000 2.779 51 G HA2 -0.313 3.647 3.960 0.000 0.000 0.284 51 G HA3 -0.313 3.647 3.960 0.000 0.000 0.284 51 G C -1.093 173.809 174.900 0.003 0.000 1.326 51 G CA 0.331 45.432 45.100 0.003 0.000 0.983 51 G HN 0.427 nan 8.290 nan 0.000 0.555 52 P HA 0.103 nan 4.420 nan 0.000 0.217 52 P C 0.902 178.202 177.300 0.000 0.000 1.154 52 P CA 1.690 64.791 63.100 0.001 0.000 0.841 52 P CB -0.134 31.566 31.700 0.001 0.000 0.790 53 Q N 1.118 120.918 119.800 -0.001 0.000 2.205 53 Q HA 0.550 4.890 4.340 0.000 0.000 0.249 53 Q C 0.063 176.061 176.000 -0.003 0.000 0.948 53 Q CA -1.039 54.762 55.803 -0.003 0.000 0.895 53 Q CB 1.551 30.287 28.738 -0.003 0.000 1.249 53 Q HN 0.206 nan 8.270 nan 0.000 0.458 54 I N -1.238 119.329 120.570 -0.005 0.000 2.362 54 I HA 0.431 4.601 4.170 0.000 0.000 0.289 54 I C -0.485 175.627 176.117 -0.008 0.000 0.994 54 I CA -1.144 60.153 61.300 -0.006 0.000 1.158 54 I CB 1.603 39.600 38.000 -0.006 0.000 1.315 54 I HN 0.454 nan 8.210 nan 0.000 0.451 55 E N 7.241 127.435 120.200 -0.009 0.000 2.415 55 E HA 0.180 4.530 4.350 0.000 0.000 0.262 55 E C -2.162 174.429 176.600 -0.016 0.000 1.038 55 E CA -1.584 54.809 56.400 -0.012 0.000 0.921 55 E CB 0.160 29.853 29.700 -0.012 0.000 0.950 55 E HN 0.526 nan 8.360 nan 0.000 0.438 56 P HA 0.023 nan 4.420 nan 0.000 0.268 56 P C 0.121 177.404 177.300 -0.029 0.000 1.208 56 P CA -0.131 62.955 63.100 -0.023 0.000 0.777 56 P CB 0.541 32.227 31.700 -0.023 0.000 0.875 57 G N 2.212 110.993 108.800 -0.032 0.000 2.476 57 G HA2 0.357 4.317 3.960 0.000 0.000 0.269 57 G HA3 0.357 4.317 3.960 0.000 0.000 0.269 57 G C -0.331 174.535 174.900 -0.057 0.000 1.195 57 G CA -0.424 44.651 45.100 -0.041 0.000 0.843 57 G HN 0.351 nan 8.290 nan 0.000 0.545 58 K N 1.069 121.421 120.400 -0.081 0.000 2.295 58 K HA 0.378 4.698 4.320 0.000 0.000 0.239 58 K C -1.621 174.883 176.600 -0.159 0.000 0.991 58 K CA -1.934 54.285 56.287 -0.114 0.000 0.845 58 K CB 2.838 35.260 32.500 -0.130 0.000 1.197 58 K HN 0.196 nan 8.250 nan 0.000 0.441 59 P HA -0.070 nan 4.420 nan 0.000 0.217 59 P C -0.434 176.574 177.300 -0.486 0.000 1.151 59 P CA 1.207 64.165 63.100 -0.237 0.000 0.828 59 P CB 0.682 32.267 31.700 -0.191 0.000 0.788 60 E N -0.184 119.614 120.200 -0.670 0.000 2.195 60 E HA 0.453 4.803 4.350 0.000 0.000 0.271 60 E C -0.445 175.689 176.600 -0.778 0.000 0.923 60 E CA -0.574 55.033 56.400 -1.322 0.000 0.790 60 E CB 1.483 30.425 29.700 -1.263 0.000 1.155 60 E HN 0.006 nan 8.360 nan 0.000 0.402 61 N N 3.301 121.546 118.700 -0.758 0.000 3.153 61 N HA 0.066 4.806 4.740 0.000 0.000 0.208 61 N C -2.247 173.418 175.510 0.258 0.000 1.462 61 N CA -1.018 51.959 53.050 -0.123 0.000 0.754 61 N CB 0.856 39.296 38.487 -0.078 0.000 1.558 61 N HN 0.223 nan 8.380 nan 0.000 0.605 62 P HA -0.270 nan 4.420 nan 0.000 0.216 62 P C 0.989 178.407 177.300 0.197 0.000 1.154 62 P CA 1.331 64.648 63.100 0.362 0.000 0.865 62 P CB 0.368 32.218 31.700 0.250 0.000 0.789 63 E N 0.238 120.515 120.200 0.130 0.000 2.058 63 E HA -0.201 4.149 4.350 0.000 0.000 0.194 63 E C 2.110 178.763 176.600 0.089 0.000 0.997 63 E CA 1.509 57.959 56.400 0.084 0.000 0.801 63 E CB -0.526 29.207 29.700 0.056 0.000 0.746 63 E HN 0.148 nan 8.360 nan 0.000 0.450 64 A N 0.916 123.801 122.820 0.108 0.000 1.969 64 A HA -0.036 4.284 4.320 0.000 0.000 0.218 64 A C 2.331 179.992 177.584 0.128 0.000 1.169 64 A CA 1.611 53.711 52.037 0.104 0.000 0.635 64 A CB -0.585 18.474 19.000 0.099 0.000 0.810 64 A HN 0.425 nan 8.150 nan 0.000 0.445 65 A N -0.048 122.886 122.820 0.189 0.000 1.930 65 A HA -0.139 4.181 4.320 0.000 0.000 0.217 65 A C 1.777 179.390 177.584 0.048 0.000 1.175 65 A CA 1.767 53.881 52.037 0.128 0.000 0.627 65 A CB -0.455 18.596 19.000 0.086 0.000 0.815 65 A HN 0.445 nan 8.150 nan 0.000 0.443 66 D N -0.076 120.355 120.400 0.053 0.000 2.078 66 D HA -0.122 4.518 4.640 0.000 0.000 0.193 66 D C 1.914 178.228 176.300 0.023 0.000 0.990 66 D CA 1.446 55.460 54.000 0.024 0.000 0.827 66 D CB -0.263 40.553 40.800 0.027 0.000 0.975 66 D HN 0.180 nan 8.370 nan 0.000 0.451 67 K N 0.247 120.668 120.400 0.035 0.000 2.044 67 K HA -0.118 4.202 4.320 0.000 0.000 0.210 67 K C 1.998 178.616 176.600 0.031 0.000 1.049 67 K CA 0.461 56.767 56.287 0.031 0.000 0.927 67 K CB -0.656 31.866 32.500 0.037 0.000 0.713 67 K HN 0.030 nan 8.250 nan 0.000 0.443 68 L N 0.096 121.343 121.223 0.039 0.000 2.083 68 L HA -0.127 4.213 4.340 0.000 0.000 0.209 68 L C 2.095 178.979 176.870 0.024 0.000 1.083 68 L CA 1.953 56.815 54.840 0.037 0.000 0.752 68 L CB -1.059 41.030 42.059 0.050 0.000 0.899 68 L HN 0.207 nan 8.230 nan 0.000 0.433 69 A N -0.813 122.014 122.820 0.012 0.000 1.855 69 A HA -0.216 4.104 4.320 0.000 0.000 0.215 69 A C 2.051 179.635 177.584 0.001 0.000 1.191 69 A CA 1.808 53.844 52.037 -0.002 0.000 0.613 69 A CB -0.786 18.201 19.000 -0.021 0.000 0.829 69 A HN 0.375 nan 8.150 nan 0.000 0.442 70 D N -0.727 119.674 120.400 0.002 0.000 2.158 70 D HA -0.160 4.480 4.640 0.000 0.000 0.197 70 D C 1.906 178.214 176.300 0.013 0.000 0.995 70 D CA 1.698 55.699 54.000 0.001 0.000 0.846 70 D CB -0.186 40.616 40.800 0.004 0.000 0.941 70 D HN 0.607 nan 8.370 nan 0.000 0.456 71 E N 0.043 120.257 120.200 0.022 0.000 2.072 71 E HA -0.086 4.264 4.350 0.000 0.000 0.190 71 E C 1.947 178.568 176.600 0.036 0.000 0.982 71 E CA 0.554 56.973 56.400 0.032 0.000 0.803 71 E CB -0.129 29.591 29.700 0.034 0.000 0.755 71 E HN 0.037 nan 8.360 nan 0.000 0.453 72 V N 0.959 120.892 119.914 0.031 0.000 2.568 72 V HA -0.270 3.850 4.120 0.000 0.000 0.253 72 V C 2.242 178.360 176.094 0.041 0.000 1.072 72 V CA 1.649 63.971 62.300 0.037 0.000 1.084 72 V CB -0.913 30.929 31.823 0.033 0.000 0.676 72 V HN 0.437 nan 8.190 nan 0.000 0.469 73 A N -1.381 121.455 122.820 0.026 0.000 1.854 73 A HA -0.141 4.179 4.320 0.000 0.000 0.214 73 A C 1.700 179.314 177.584 0.050 0.000 1.192 73 A CA 1.131 53.178 52.037 0.018 0.000 0.611 73 A CB -0.750 18.242 19.000 -0.014 0.000 0.832 73 A HN 0.535 nan 8.150 nan 0.000 0.442 77 N N 1.684 120.522 118.700 0.230 0.000 2.396 77 N HA 0.005 4.745 4.740 0.000 0.000 0.180 77 N C 0.283 176.176 175.510 0.639 0.000 1.028 77 N CA 1.501 54.797 53.050 0.410 0.000 0.893 77 N CB -0.211 38.404 38.487 0.212 0.000 0.967 77 N HN 0.671 nan 8.380 nan 0.000 0.440 78 T N 1.899 116.689 114.554 0.394 0.000 2.780 78 T HA 0.246 4.596 4.350 0.000 0.000 0.294 78 T C -2.478 172.295 174.700 0.122 0.000 0.949 78 T CA -1.698 60.551 62.100 0.249 0.000 1.074 78 T CB 1.566 70.473 68.868 0.065 0.000 0.910 78 T HN 0.044 nan 8.240 nan 0.000 0.501 79 P HA 0.106 nan 4.420 nan 0.000 0.266 79 P C 1.190 178.487 177.300 -0.004 0.000 1.186 79 P CA 0.822 63.915 63.100 -0.012 0.000 0.767 79 P CB 0.270 31.934 31.700 -0.060 0.000 0.820 80 G N 1.264 110.073 108.800 0.014 0.000 2.347 80 G HA2 -0.141 3.820 3.960 0.000 0.000 0.247 80 G HA3 -0.141 3.820 3.960 0.000 0.000 0.247 80 G C 0.666 175.591 174.900 0.041 0.000 1.037 80 G CA 0.411 45.522 45.100 0.019 0.000 0.622 80 G HN 1.072 nan 8.290 nan 0.000 0.521 81 G N -0.931 107.903 108.800 0.056 0.000 2.697 81 G HA2 0.452 4.413 3.960 0.000 0.000 0.240 81 G HA3 0.452 4.413 3.960 0.000 0.000 0.240 81 G C 0.971 175.910 174.900 0.064 0.000 1.346 81 G CA 0.853 45.998 45.100 0.076 0.000 0.887 81 G HN 2.579 nan 8.290 nan 0.000 0.569 82 G N -2.309 106.540 108.800 0.082 0.000 2.561 82 G HA2 0.919 4.879 3.960 0.000 0.000 0.310 82 G HA3 0.919 4.879 3.960 0.000 0.000 0.310 82 G C -0.762 174.207 174.900 0.115 0.000 1.292 82 G CA 0.782 45.931 45.100 0.082 0.000 0.811 82 G HN 2.390 nan 8.290 nan 0.000 0.482 83 A N -0.708 122.175 122.820 0.105 0.000 2.371 83 A HA 0.822 5.142 4.320 0.000 0.000 0.311 83 A C -1.382 176.211 177.584 0.016 0.000 1.068 83 A CA -0.409 51.674 52.037 0.076 0.000 0.744 83 A CB 1.506 20.616 19.000 0.183 0.000 1.239 83 A HN 0.701 nan 8.150 nan 0.000 0.435 84 L N 1.924 123.116 121.223 -0.052 0.000 2.342 84 L HA 0.609 4.949 4.340 0.000 0.000 0.271 84 L C -0.352 176.495 176.870 -0.039 0.000 1.008 84 L CA -0.085 54.754 54.840 -0.002 0.000 0.818 84 L CB 1.705 43.767 42.059 0.004 0.000 1.296 84 L HN 0.611 nan 8.230 nan 0.000 0.427 85 I N 2.655 123.255 120.570 0.051 0.000 2.437 85 I HA 0.305 4.475 4.170 0.000 0.000 0.279 85 I C -0.685 175.424 176.117 -0.012 0.000 1.028 85 I CA -0.712 60.582 61.300 -0.010 0.000 1.142 85 I CB 1.602 39.588 38.000 -0.023 0.000 1.266 85 I HN 0.171 nan 8.210 nan 0.000 0.461 86 V N 5.688 125.586 119.914 -0.028 0.000 2.488 86 V HA 0.482 4.602 4.120 0.000 0.000 0.277 86 V C 1.090 177.163 176.094 -0.036 0.000 1.046 86 V CA 0.704 62.996 62.300 -0.012 0.000 0.986 86 V CB 0.818 32.641 31.823 0.001 0.000 0.989 86 V HN 1.107 nan 8.190 nan 0.000 0.475 87 G N 5.066 113.845 108.800 -0.035 0.000 2.205 87 G HA2 -0.133 3.827 3.960 0.000 0.000 0.180 87 G HA3 -0.133 3.827 3.960 0.000 0.000 0.180 87 G C -0.243 174.605 174.900 -0.087 0.000 1.004 87 G CA -0.539 44.530 45.100 -0.051 0.000 0.670 87 G HN 0.460 nan 8.290 nan 0.000 0.496 88 I N 1.687 122.188 120.570 -0.115 0.000 2.389 88 I HA 0.361 4.531 4.170 0.000 0.000 0.288 88 I C 0.452 176.537 176.117 -0.053 0.000 0.999 88 I CA -1.192 59.994 61.300 -0.190 0.000 1.129 88 I CB 1.417 39.088 38.000 -0.549 0.000 1.288 88 I HN 0.282 nan 8.210 nan 0.000 0.444 89 E N 4.161 124.349 120.200 -0.021 0.000 2.417 89 E HA -0.075 4.275 4.350 0.000 0.000 0.261 89 E C -0.285 176.390 176.600 0.126 0.000 1.000 89 E CA -0.155 56.270 56.400 0.043 0.000 0.919 89 E CB 0.633 30.349 29.700 0.028 0.000 0.955 89 E HN 0.532 nan 8.360 nan 0.000 0.455 90 D N 4.521 125.001 120.400 0.134 0.000 2.472 90 D HA -0.074 4.566 4.640 0.000 0.000 0.237 90 D C 0.232 176.605 176.300 0.121 0.000 1.141 90 D CA 0.830 54.924 54.000 0.157 0.000 0.875 90 D CB 0.511 41.366 40.800 0.093 0.000 1.192 90 D HN 0.666 nan 8.370 nan 0.000 0.450 91 K N 0.231 120.701 120.400 0.115 0.000 4.378 91 K HA -0.309 4.011 4.320 0.000 0.000 0.416 91 K C 1.632 178.288 176.600 0.093 0.000 0.469 91 K CA 2.004 58.333 56.287 0.070 0.000 1.807 91 K CB -1.881 30.643 32.500 0.039 0.000 0.965 91 K HN 0.704 nan 8.250 nan 0.000 0.530 92 T N -2.815 111.800 114.554 0.102 0.000 2.894 92 T HA 0.187 4.538 4.350 0.000 0.000 0.258 92 T C 1.520 176.288 174.700 0.114 0.000 1.043 92 T CA 1.733 63.883 62.100 0.083 0.000 1.141 92 T CB 0.361 69.262 68.868 0.054 0.000 0.873 92 T HN 0.900 nan 8.240 nan 0.000 0.449 93 G N 1.841 110.738 108.800 0.161 0.000 2.141 93 G HA2 -0.239 3.721 3.960 0.000 0.000 0.242 93 G HA3 -0.239 3.721 3.960 0.000 0.000 0.242 93 G C 0.110 174.997 174.900 -0.020 0.000 0.982 93 G CA -0.080 45.098 45.100 0.129 0.000 0.662 93 G HN 0.734 nan 8.290 nan 0.000 0.527 94 R N -0.479 120.019 120.500 -0.004 0.000 2.491 94 R HA 0.458 4.798 4.340 0.000 0.000 0.283 94 R C 0.398 176.660 176.300 -0.063 0.000 1.072 94 R CA -0.376 55.708 56.100 -0.027 0.000 1.048 94 R CB 0.648 30.944 30.300 -0.006 0.000 0.983 94 R HN 0.238 nan 8.270 nan 0.000 0.450 95 I N 3.736 124.266 120.570 -0.068 0.000 2.471 95 I HA -0.069 4.101 4.170 0.000 0.000 0.286 95 I C 1.103 177.188 176.117 -0.052 0.000 1.079 95 I CA 0.397 61.650 61.300 -0.079 0.000 1.398 95 I CB 0.763 38.720 38.000 -0.072 0.000 1.403 95 I HN 0.587 nan 8.210 nan 0.000 0.530 96 I N 3.491 124.030 120.570 -0.052 0.000 3.366 96 I HA 0.449 4.619 4.170 0.000 0.000 0.267 96 I C 1.089 177.187 176.117 -0.033 0.000 1.149 96 I CA 0.651 61.931 61.300 -0.034 0.000 1.436 96 I CB -1.200 36.785 38.000 -0.025 0.000 1.379 96 I HN 0.717 nan 8.210 nan 0.000 0.460 97 G N 1.007 109.784 108.800 -0.038 0.000 2.541 97 G HA2 0.016 3.976 3.960 0.000 0.000 0.686 97 G HA3 0.016 3.976 3.960 0.000 0.000 0.686 97 G C -0.642 174.244 174.900 -0.025 0.000 1.286 97 G CA -0.439 44.642 45.100 -0.033 0.000 0.894 97 G HN 0.211 nan 8.290 nan 0.000 0.575 98 T N 0.048 114.589 114.554 -0.021 0.000 3.047 98 T HA 0.559 4.909 4.350 0.000 0.000 0.340 98 T C -0.215 174.475 174.700 -0.017 0.000 1.421 98 T CA -0.542 61.549 62.100 -0.015 0.000 1.090 98 T CB 1.984 70.849 68.868 -0.005 0.000 1.292 98 T HN 0.542 nan 8.240 nan 0.000 0.480 99 E N 1.146 121.331 120.200 -0.025 0.000 2.562 99 E HA 0.223 4.574 4.350 0.000 0.000 0.214 99 E C 0.469 177.046 176.600 -0.039 0.000 0.979 99 E CA -0.168 56.212 56.400 -0.032 0.000 1.002 99 E CB 0.444 30.117 29.700 -0.045 0.000 1.048 99 E HN 0.556 nan 8.360 nan 0.000 0.488 100 L N 2.255 123.463 121.223 -0.024 0.000 2.593 100 L HA -0.074 4.266 4.340 0.000 0.000 0.287 100 L C 0.722 177.618 176.870 0.044 0.000 1.243 100 L CA 0.329 55.167 54.840 -0.003 0.000 0.890 100 L CB 0.022 42.132 42.059 0.084 0.000 1.134 100 L HN -0.098 nan 8.230 nan 0.000 0.502 101 D N 2.588 123.027 120.400 0.065 0.000 2.348 101 D HA 0.141 4.781 4.640 0.000 0.000 0.253 101 D C 1.117 177.534 176.300 0.194 0.000 1.161 101 D CA -0.089 53.980 54.000 0.116 0.000 0.876 101 D CB 0.978 41.852 40.800 0.124 0.000 1.160 101 D HN 0.317 nan 8.370 nan 0.000 0.459 102 I N 2.480 123.124 120.570 0.123 0.000 2.163 102 I HA -0.276 3.894 4.170 0.000 0.000 0.243 102 I C 1.426 177.611 176.117 0.113 0.000 1.085 102 I CA 0.989 62.353 61.300 0.106 0.000 1.347 102 I CB -0.113 37.928 38.000 0.067 0.000 1.044 102 I HN 0.428 nan 8.210 nan 0.000 0.408 103 D N -0.078 120.389 120.400 0.112 0.000 2.117 103 D HA -0.222 4.419 4.640 0.000 0.000 0.197 103 D C 1.678 178.050 176.300 0.121 0.000 0.987 103 D CA 1.115 55.169 54.000 0.090 0.000 0.829 103 D CB -0.310 40.539 40.800 0.082 0.000 0.961 103 D HN 0.457 nan 8.370 nan 0.000 0.460 104 W N 0.970 122.275 121.300 0.009 0.000 2.354 104 W HA -0.158 4.502 4.660 0.000 0.000 0.315 104 W C 2.047 178.578 176.519 0.021 0.000 1.206 104 W CA 0.842 58.195 57.345 0.014 0.000 1.290 104 W CB -0.520 28.947 29.460 0.011 0.000 1.152 104 W HN -0.034 nan 8.180 nan 0.000 0.489 105 L N 1.493 122.880 121.223 0.272 0.000 2.046 105 L HA -0.118 4.222 4.340 0.000 0.000 0.208 105 L C 2.553 179.368 176.870 -0.092 0.000 1.077 105 L CA 2.016 56.891 54.840 0.057 0.000 0.747 105 L CB -1.205 40.999 42.059 0.242 0.000 0.896 105 L HN -0.009 nan 8.230 nan 0.000 0.432 106 R N -1.036 119.451 120.500 -0.021 0.000 2.070 106 R HA -0.232 4.108 4.340 0.000 0.000 0.232 106 R C 2.321 178.592 176.300 -0.050 0.000 1.138 106 R CA 1.763 57.849 56.100 -0.024 0.000 0.936 106 R CB -0.429 29.862 30.300 -0.015 0.000 0.839 106 R HN 0.415 nan 8.270 nan 0.000 0.429 107 Q N 0.043 119.787 119.800 -0.093 0.000 2.181 107 Q HA -0.104 4.236 4.340 0.000 0.000 0.205 107 Q C 1.705 177.619 176.000 -0.143 0.000 0.980 107 Q CA 2.080 57.834 55.803 -0.081 0.000 0.862 107 Q CB -0.568 28.105 28.738 -0.107 0.000 0.905 107 Q HN 0.406 nan 8.270 nan 0.000 0.429 108 G N 0.555 109.128 108.800 -0.377 0.000 2.414 108 G HA2 -0.182 3.778 3.960 0.000 0.000 0.215 108 G HA3 -0.182 3.778 3.960 0.000 0.000 0.215 108 G C 1.463 176.218 174.900 -0.242 0.000 1.188 108 G CA 0.909 45.705 45.100 -0.506 0.000 0.783 108 G HN 0.424 nan 8.290 nan 0.000 0.537 109 I N -0.157 120.322 120.570 -0.152 0.000 2.226 109 I HA -0.132 4.038 4.170 0.000 0.000 0.245 109 I C 2.451 178.568 176.117 -0.000 0.000 1.100 109 I CA 1.008 62.274 61.300 -0.057 0.000 1.374 109 I CB -0.329 37.664 38.000 -0.011 0.000 1.057 109 I HN 0.153 nan 8.210 nan 0.000 0.413 110 F N 1.792 121.679 119.950 -0.106 0.000 2.202 110 F HA -0.245 4.282 4.527 0.000 0.000 0.301 110 F C 2.404 178.155 175.800 -0.081 0.000 1.082 110 F CA 1.820 59.773 58.000 -0.079 0.000 1.313 110 F CB -0.546 38.409 39.000 -0.075 0.000 1.024 110 F HN -0.059 nan 8.300 nan 0.000 0.495 111 T N 1.423 115.893 114.554 -0.139 0.000 2.896 111 T HA -0.095 4.255 4.350 0.000 0.000 0.263 111 T C 2.055 176.624 174.700 -0.218 0.000 1.050 111 T CA 1.404 63.371 62.100 -0.221 0.000 1.140 111 T CB -0.088 68.710 68.868 -0.117 0.000 0.877 111 T HN 0.365 nan 8.240 nan 0.000 0.457 112 R N 0.607 121.009 120.500 -0.163 0.000 2.146 112 R HA 0.320 4.660 4.340 0.000 0.000 0.206 112 R C 2.125 178.347 176.300 -0.130 0.000 1.049 112 R CA 0.558 56.580 56.100 -0.131 0.000 1.029 112 R CB -0.759 29.486 30.300 -0.092 0.000 0.949 112 R HN 0.360 nan 8.270 nan 0.000 0.471 113 I N 1.115 121.612 120.570 -0.122 0.000 3.603 113 I HA -0.014 4.156 4.170 0.000 0.000 0.297 113 I C -0.380 175.658 176.117 -0.131 0.000 1.269 113 I CA 0.731 61.973 61.300 -0.097 0.000 1.361 113 I CB 0.284 38.254 38.000 -0.049 0.000 1.063 113 I HN 0.066 nan 8.210 nan 0.000 0.448 114 D N 0.579 120.833 120.400 -0.243 0.000 3.070 114 D HA -0.147 4.493 4.640 0.000 0.000 0.210 114 D C -0.243 175.966 176.300 -0.151 0.000 1.103 114 D CA 1.141 54.925 54.000 -0.360 0.000 0.980 114 D CB -1.133 39.531 40.800 -0.228 0.000 1.100 114 D HN 0.282 nan 8.370 nan 0.000 0.423 115 V N -1.583 118.354 119.914 0.038 0.000 2.876 115 V HA 0.865 4.985 4.120 0.000 0.000 0.312 115 V C -1.163 175.122 176.094 0.319 0.000 1.085 115 V CA -0.069 62.361 62.300 0.216 0.000 0.945 115 V CB 2.310 34.198 31.823 0.110 0.000 1.017 115 V HN 0.263 nan 8.190 nan 0.000 0.428 116 A N 6.761 129.745 122.820 0.274 0.000 2.802 116 A HA 0.774 5.094 4.320 0.000 0.000 0.344 116 A C -2.231 175.393 177.584 0.066 0.000 1.215 116 A CA -1.419 50.695 52.037 0.128 0.000 0.821 116 A CB -0.021 18.932 19.000 -0.078 0.000 1.099 116 A HN 0.830 nan 8.150 nan 0.000 0.479 117 P HA 0.172 nan 4.420 nan 0.000 0.269 117 P C -0.943 176.401 177.300 0.073 0.000 1.215 117 P CA -0.039 63.107 63.100 0.077 0.000 0.780 117 P CB 0.861 32.604 31.700 0.071 0.000 0.898 118 D N 0.348 120.814 120.400 0.110 0.000 2.389 118 D HA 0.235 4.875 4.640 0.000 0.000 0.247 118 D C -0.193 176.186 176.300 0.133 0.000 1.128 118 D CA 0.149 54.228 54.000 0.133 0.000 0.884 118 D CB 1.010 41.925 40.800 0.191 0.000 1.194 118 D HN 0.113 nan 8.370 nan 0.000 0.441 119 V N 1.899 121.872 119.914 0.099 0.000 2.655 119 V HA 0.514 4.634 4.120 0.000 0.000 0.301 119 V C -1.069 175.067 176.094 0.069 0.000 1.082 119 V CA -0.657 61.672 62.300 0.049 0.000 0.899 119 V CB 1.761 33.598 31.823 0.022 0.000 1.014 119 V HN 0.375 nan 8.190 nan 0.000 0.429 120 V N 4.261 124.219 119.914 0.072 0.000 2.680 120 V HA 1.038 5.158 4.120 0.000 0.000 0.309 120 V C 0.334 176.455 176.094 0.044 0.000 1.052 120 V CA -0.194 62.156 62.300 0.083 0.000 0.908 120 V CB 1.390 33.301 31.823 0.146 0.000 1.001 120 V HN 1.689 nan 8.190 nan 0.000 0.431 121 A N 4.045 126.888 122.820 0.038 0.000 2.316 121 A HA 0.824 5.144 4.320 0.000 0.000 0.284 121 A C 0.060 177.657 177.584 0.022 0.000 1.115 121 A CA -0.553 51.497 52.037 0.021 0.000 0.812 121 A CB 0.647 19.658 19.000 0.019 0.000 1.064 121 A HN 0.982 nan 8.150 nan 0.000 0.489 122 K N 0.561 120.966 120.400 0.009 0.000 2.469 122 K HA 0.615 4.935 4.320 0.000 0.000 0.268 122 K C -1.147 175.451 176.600 -0.004 0.000 1.027 122 K CA -0.867 55.426 56.287 0.009 0.000 0.893 122 K CB 2.416 34.923 32.500 0.013 0.000 1.460 122 K HN 0.694 nan 8.250 nan 0.000 0.449 123 R N 1.204 121.701 120.500 -0.004 0.000 2.502 123 R HA 0.238 4.579 4.340 0.000 0.000 0.300 123 R C 0.618 176.908 176.300 -0.016 0.000 0.984 123 R CA -0.412 55.681 56.100 -0.012 0.000 0.882 123 R CB 1.605 31.901 30.300 -0.007 0.000 1.180 123 R HN 0.504 nan 8.270 nan 0.000 0.444 124 V N 1.024 120.922 119.914 -0.027 0.000 2.691 124 V HA 0.161 4.281 4.120 0.000 0.000 0.180 124 V C 0.966 177.047 176.094 -0.023 0.000 1.156 124 V CA 0.102 62.384 62.300 -0.030 0.000 1.342 124 V CB -0.171 31.622 31.823 -0.050 0.000 0.916 124 V HN 0.462 nan 8.190 nan 0.000 0.475 125 L N 1.901 123.108 121.223 -0.027 0.000 2.939 125 L HA 0.452 4.792 4.340 0.000 0.000 0.239 125 L C 1.521 178.381 176.870 -0.017 0.000 1.325 125 L CA 1.162 55.990 54.840 -0.020 0.000 1.170 125 L CB -1.209 40.837 42.059 -0.021 0.000 1.538 125 L HN 1.069 nan 8.230 nan 0.000 0.452 126 G N -1.149 107.641 108.800 -0.016 0.000 2.234 126 G HA2 -0.222 3.738 3.960 0.000 0.000 0.235 126 G HA3 -0.222 3.738 3.960 0.000 0.000 0.235 126 G C 0.554 175.444 174.900 -0.016 0.000 0.997 126 G CA -0.397 44.695 45.100 -0.014 0.000 0.623 126 G HN 0.382 nan 8.290 nan 0.000 0.514 127 Q N 0.476 120.263 119.800 -0.022 0.000 2.299 127 Q HA 0.450 4.790 4.340 0.000 0.000 0.246 127 Q C 0.514 176.499 176.000 -0.026 0.000 0.935 127 Q CA -0.341 55.447 55.803 -0.025 0.000 0.887 127 Q CB 1.279 29.997 28.738 -0.033 0.000 1.223 127 Q HN 0.591 nan 8.270 nan 0.000 0.439 128 R N 1.147 121.633 120.500 -0.023 0.000 2.297 128 R HA 0.473 4.814 4.340 0.000 0.000 0.308 128 R C -0.684 175.600 176.300 -0.027 0.000 1.029 128 R CA -0.355 55.733 56.100 -0.020 0.000 0.929 128 R CB 0.592 30.884 30.300 -0.014 0.000 1.046 128 R HN 0.443 nan 8.270 nan 0.000 0.461 129 V N 1.971 121.867 119.914 -0.030 0.000 2.962 129 V HA 0.534 4.654 4.120 0.000 0.000 0.313 129 V C -1.108 174.967 176.094 -0.032 0.000 1.099 129 V CA -1.314 60.962 62.300 -0.040 0.000 0.971 129 V CB 2.025 33.808 31.823 -0.067 0.000 1.028 129 V HN 0.474 nan 8.190 nan 0.000 0.430 130 L N 3.130 124.332 121.223 -0.034 0.000 2.272 130 L HA 0.778 5.118 4.340 0.000 0.000 0.289 130 L C 0.555 177.376 176.870 -0.081 0.000 1.032 130 L CA -0.349 54.470 54.840 -0.035 0.000 0.810 130 L CB 0.976 43.029 42.059 -0.011 0.000 1.205 130 L HN 1.069 nan 8.230 nan 0.000 0.422 131 A N 6.313 129.060 122.820 -0.123 0.000 2.252 131 A HA 0.695 5.015 4.320 0.000 0.000 0.309 131 A C -0.134 177.198 177.584 -0.420 0.000 1.285 131 A CA -0.356 51.507 52.037 -0.290 0.000 0.900 131 A CB 0.073 18.886 19.000 -0.312 0.000 1.157 131 A HN 0.638 nan 8.150 nan 0.000 0.536 132 I N 2.758 123.089 120.570 -0.398 0.000 2.339 132 I HA 0.273 4.443 4.170 0.000 0.000 0.290 132 I C -1.242 174.656 176.117 -0.366 0.000 0.994 132 I CA -0.482 60.646 61.300 -0.287 0.000 1.191 132 I CB 1.233 39.173 38.000 -0.101 0.000 1.343 132 I HN 0.588 nan 8.210 nan 0.000 0.458 133 Y N 5.756 126.081 120.300 0.043 0.000 2.369 133 Y HA 0.435 4.985 4.550 0.000 0.000 0.337 133 Y C 0.066 175.991 175.900 0.043 0.000 0.961 133 Y CA -0.838 57.287 58.100 0.042 0.000 1.186 133 Y CB 1.608 40.089 38.460 0.035 0.000 1.139 133 Y HN 0.297 nan 8.280 nan 0.000 0.494 134 V N 3.612 123.626 119.914 0.166 0.000 2.417 134 V HA 0.911 5.031 4.120 0.000 0.000 0.291 134 V C -0.214 175.952 176.094 0.121 0.000 1.024 134 V CA -0.621 61.754 62.300 0.124 0.000 0.861 134 V CB 0.837 32.714 31.823 0.090 0.000 0.985 134 V HN 0.846 nan 8.190 nan 0.000 0.436 135 A N 5.639 128.524 122.820 0.109 0.000 2.286 135 A HA 0.862 5.182 4.320 0.000 0.000 0.286 135 A C 0.625 178.271 177.584 0.102 0.000 1.097 135 A CA -0.061 52.033 52.037 0.096 0.000 0.821 135 A CB 0.870 19.920 19.000 0.084 0.000 1.076 135 A HN 2.091 nan 8.150 nan 0.000 0.490 136 A N 0.883 123.762 122.820 0.098 0.000 2.492 136 A HA 0.517 4.837 4.320 0.000 0.000 0.254 136 A C 0.830 178.497 177.584 0.139 0.000 1.091 136 A CA 0.344 52.452 52.037 0.119 0.000 0.768 136 A CB -0.628 18.425 19.000 0.089 0.000 1.028 136 A HN 2.022 nan 8.150 nan 0.000 0.498 137 A N 2.084 125.015 122.820 0.185 0.000 2.386 137 A HA 0.534 4.854 4.320 0.000 0.000 0.248 137 A C 1.354 179.082 177.584 0.239 0.000 1.082 137 A CA 0.207 52.355 52.037 0.186 0.000 0.789 137 A CB 0.140 19.232 19.000 0.153 0.000 1.025 137 A HN 1.946 nan 8.150 nan 0.000 0.490 138 A N 0.807 123.748 122.820 0.202 0.000 2.208 138 A HA 0.321 4.641 4.320 0.000 0.000 0.209 138 A C 0.581 178.367 177.584 0.337 0.000 1.161 138 A CA 1.110 53.286 52.037 0.232 0.000 0.782 138 A CB -0.416 18.694 19.000 0.183 0.000 0.816 138 A HN 0.924 nan 8.150 nan 0.000 0.477 139 E N -0.642 119.715 120.200 0.262 0.000 2.375 139 E HA 0.393 4.743 4.350 0.000 0.000 0.280 139 E C -3.220 173.124 176.600 -0.427 0.000 0.972 139 E CA -2.622 53.819 56.400 0.068 0.000 0.782 139 E CB 1.167 31.006 29.700 0.232 0.000 1.229 139 E HN -0.050 nan 8.360 nan 0.000 0.439 140 P HA -0.047 nan 4.420 nan 0.000 0.261 140 P C -0.305 176.705 177.300 -0.483 0.000 1.165 140 P CA 0.182 62.569 63.100 -1.189 0.000 0.759 140 P CB 0.346 31.340 31.700 -1.176 0.000 0.772 141 I N 3.230 123.587 120.570 -0.355 0.000 2.330 141 I HA 0.262 4.432 4.170 0.000 0.000 0.289 141 I C 0.975 176.989 176.117 -0.171 0.000 1.001 141 I CA -0.609 60.583 61.300 -0.180 0.000 1.193 141 I CB 0.313 38.258 38.000 -0.091 0.000 1.345 141 I HN 0.308 nan 8.210 nan 0.000 0.461 142 E N 4.608 124.724 120.200 -0.141 0.000 2.229 142 E HA 0.157 4.507 4.350 0.000 0.000 0.283 142 E C -0.337 176.211 176.600 -0.087 0.000 1.030 142 E CA -0.614 55.715 56.400 -0.118 0.000 0.836 142 E CB 1.244 30.884 29.700 -0.100 0.000 1.068 142 E HN 0.536 nan 8.360 nan 0.000 0.401 143 D N 1.198 121.554 120.400 -0.074 0.000 2.356 143 D HA -0.097 4.543 4.640 0.000 0.000 0.258 143 D C 1.329 177.598 176.300 -0.052 0.000 1.279 143 D CA -0.045 53.923 54.000 -0.055 0.000 1.016 143 D CB -0.158 40.619 40.800 -0.039 0.000 1.107 143 D HN 0.423 nan 8.370 nan 0.000 0.544 144 T N -3.106 111.423 114.554 -0.042 0.000 2.737 144 T HA -0.179 4.171 4.350 0.000 0.000 0.269 144 T C 1.596 176.275 174.700 -0.035 0.000 1.040 144 T CA 1.457 63.534 62.100 -0.039 0.000 1.142 144 T CB -0.764 68.087 68.868 -0.028 0.000 0.861 144 T HN 0.256 nan 8.240 nan 0.000 0.456 145 S N 1.043 116.724 115.700 -0.032 0.000 2.634 145 S HA 0.184 4.655 4.470 0.000 0.000 0.221 145 S C 0.006 174.584 174.600 -0.037 0.000 0.952 145 S CA -0.019 58.163 58.200 -0.029 0.000 0.930 145 S CB -0.407 62.779 63.200 -0.023 0.000 0.780 145 S HN 0.500 nan 8.310 nan 0.000 0.498 146 D N 1.749 122.122 120.400 -0.045 0.000 2.772 146 D HA -0.142 4.498 4.640 0.000 0.000 0.233 146 D C 0.050 176.316 176.300 -0.058 0.000 1.143 146 D CA 0.866 54.835 54.000 -0.052 0.000 0.700 146 D CB -0.843 39.931 40.800 -0.044 0.000 1.076 146 D HN 0.477 nan 8.370 nan 0.000 0.430 147 R N -0.105 120.358 120.500 -0.062 0.000 2.604 147 R HA 0.657 4.997 4.340 0.000 0.000 0.287 147 R C -0.158 176.081 176.300 -0.102 0.000 0.970 147 R CA -1.069 54.988 56.100 -0.071 0.000 0.946 147 R CB 1.593 31.861 30.300 -0.053 0.000 1.127 147 R HN 0.006 nan 8.270 nan 0.000 0.473 148 L N 3.876 125.020 121.223 -0.132 0.000 2.318 148 L HA 0.421 4.761 4.340 0.000 0.000 0.277 148 L C -0.702 176.038 176.870 -0.217 0.000 1.008 148 L CA -0.079 54.638 54.840 -0.205 0.000 0.846 148 L CB 0.402 42.306 42.059 -0.260 0.000 1.220 148 L HN 0.653 nan 8.230 nan 0.000 0.423 149 R N 3.341 123.739 120.500 -0.169 0.000 2.739 149 R HA 0.720 5.061 4.340 0.000 0.000 0.271 149 R C -1.950 174.374 176.300 0.040 0.000 1.010 149 R CA -0.752 55.274 56.100 -0.124 0.000 0.897 149 R CB 1.406 31.687 30.300 -0.032 0.000 1.236 149 R HN 0.524 nan 8.270 nan 0.000 0.466 150 W N 0.062 121.372 121.300 0.016 0.000 2.975 150 W HA 0.620 5.280 4.660 0.000 0.000 0.342 150 W C -0.644 175.878 176.519 0.005 0.000 1.168 150 W CA -1.731 55.633 57.345 0.030 0.000 1.141 150 W CB 0.154 29.657 29.460 0.072 0.000 1.445 150 W HN 0.339 nan 8.180 nan 0.000 0.560 151 R N 1.144 121.769 120.500 0.209 0.000 2.590 151 R HA 0.332 4.673 4.340 0.000 0.000 0.274 151 R C 0.233 176.474 176.300 -0.098 0.000 1.061 151 R CA -0.046 56.078 56.100 0.041 0.000 1.081 151 R CB 1.072 31.373 30.300 0.000 0.000 0.984 151 R HN 0.661 nan 8.270 nan 0.000 0.448 152 V N 1.324 121.202 119.914 -0.061 0.000 3.668 152 V HA 0.213 4.334 4.120 0.000 0.000 0.199 152 V C 1.324 177.366 176.094 -0.086 0.000 1.241 152 V CA 1.130 63.362 62.300 -0.114 0.000 1.308 152 V CB -0.207 31.587 31.823 -0.049 0.000 1.411 152 V HN 0.847 nan 8.190 nan 0.000 0.535 153 G N -0.415 108.355 108.800 -0.050 0.000 3.226 153 G HA2 0.018 3.978 3.960 0.000 0.000 0.190 153 G HA3 0.018 3.978 3.960 0.000 0.000 0.190 153 G C 0.674 175.541 174.900 -0.055 0.000 1.988 153 G CA 1.078 46.147 45.100 -0.052 0.000 0.859 153 G HN 0.416 nan 8.290 nan 0.000 0.631 154 D N -0.726 119.646 120.400 -0.047 0.000 2.338 154 D HA 0.108 4.748 4.640 0.000 0.000 0.208 154 D C 1.489 177.774 176.300 -0.025 0.000 0.997 154 D CA 0.728 54.695 54.000 -0.055 0.000 0.880 154 D CB 0.155 40.921 40.800 -0.058 0.000 0.980 154 D HN 0.339 nan 8.370 nan 0.000 0.509 155 S N -0.813 114.881 115.700 -0.010 0.000 2.722 155 S HA 0.612 5.082 4.470 0.000 0.000 0.292 155 S C -0.035 174.581 174.600 0.027 0.000 1.135 155 S CA -0.732 57.475 58.200 0.011 0.000 1.003 155 S CB 1.405 64.614 63.200 0.014 0.000 1.067 155 S HN 0.364 nan 8.310 nan 0.000 0.546 156 c N 0.583 119.213 118.600 0.049 0.000 2.396 156 c HA 0.817 5.387 4.570 0.000 0.000 0.321 156 c C -0.064 174.087 174.090 0.102 0.000 1.233 156 c CA -1.080 55.304 56.329 0.090 0.000 1.440 156 c CB 0.003 42.578 42.510 0.108 0.000 2.110 156 c HN 0.998 nan 8.230 nan 0.000 0.473 157 R N 2.732 123.321 120.500 0.149 0.000 2.549 157 R HA 0.709 5.049 4.340 0.000 0.000 0.267 157 R C -2.412 173.950 176.300 0.103 0.000 1.045 157 R CA -1.310 54.864 56.100 0.123 0.000 1.115 157 R CB 0.795 31.176 30.300 0.136 0.000 1.121 157 R HN 0.608 nan 8.270 nan 0.000 0.543 158 P HA 0.122 nan 4.420 nan 0.000 0.277 158 P C -1.150 176.049 177.300 -0.167 0.000 1.240 158 P CA -0.183 62.871 63.100 -0.075 0.000 0.798 158 P CB 1.347 33.015 31.700 -0.052 0.000 0.979 159 V N 2.338 122.050 119.914 -0.336 0.000 2.777 159 V HA 0.286 4.406 4.120 0.000 0.000 0.306 159 V C -0.973 174.926 176.094 -0.325 0.000 1.112 159 V CA -0.852 61.172 62.300 -0.460 0.000 0.917 159 V CB 1.909 32.996 31.823 -1.227 0.000 1.018 159 V HN 0.677 nan 8.190 nan 0.000 0.426 160 D N 5.462 125.758 120.400 -0.173 0.000 2.357 160 D HA 0.175 4.815 4.640 0.000 0.000 0.242 160 D C 0.880 177.172 176.300 -0.014 0.000 1.153 160 D CA -0.491 53.466 54.000 -0.071 0.000 0.918 160 D CB 1.260 42.060 40.800 -0.000 0.000 1.181 160 D HN 0.590 nan 8.370 nan 0.000 0.435 161 R N 0.551 121.088 120.500 0.062 0.000 2.127 161 R HA -0.144 4.196 4.340 0.000 0.000 0.238 161 R C 2.130 178.663 176.300 0.389 0.000 1.134 161 R CA 1.517 57.757 56.100 0.233 0.000 0.975 161 R CB -0.390 30.089 30.300 0.297 0.000 0.865 161 R HN 0.649 nan 8.270 nan 0.000 0.447 162 A N 1.065 124.032 122.820 0.245 0.000 1.865 162 A HA -0.253 4.067 4.320 0.000 0.000 0.217 162 A C 2.030 179.777 177.584 0.272 0.000 1.191 162 A CA 1.659 53.837 52.037 0.235 0.000 0.623 162 A CB -0.498 18.585 19.000 0.139 0.000 0.826 162 A HN 0.391 nan 8.150 nan 0.000 0.444 163 E N -1.816 118.515 120.200 0.217 0.000 2.047 163 E HA -0.227 4.123 4.350 0.000 0.000 0.191 163 E C 1.841 178.648 176.600 0.345 0.000 0.987 163 E CA 1.106 57.673 56.400 0.278 0.000 0.799 163 E CB -0.273 29.537 29.700 0.184 0.000 0.752 163 E HN 0.746 nan 8.360 nan 0.000 0.449 164 W N 0.140 121.406 121.300 -0.057 0.000 2.321 164 W HA -0.225 4.435 4.660 0.000 0.000 0.306 164 W C 1.549 178.054 176.519 -0.023 0.000 1.217 164 W CA 1.880 59.132 57.345 -0.156 0.000 1.257 164 W CB -0.534 28.671 29.460 -0.426 0.000 1.145 164 W HN 0.192 nan 8.180 nan 0.000 0.509 165 W N 0.772 122.301 121.300 0.380 0.000 2.379 165 W HA -0.142 4.518 4.660 0.000 0.000 0.307 165 W C 2.635 179.185 176.519 0.053 0.000 1.200 165 W CA 2.011 59.477 57.345 0.203 0.000 1.297 165 W CB -0.934 28.678 29.460 0.254 0.000 1.140 165 W HN 0.098 nan 8.180 nan 0.000 0.507 166 E N -1.165 119.225 120.200 0.316 0.000 2.209 166 E HA -0.285 4.066 4.350 0.000 0.000 0.196 166 E C 1.619 178.207 176.600 -0.020 0.000 0.993 166 E CA 1.526 58.014 56.400 0.147 0.000 0.819 166 E CB -1.061 28.716 29.700 0.128 0.000 0.745 166 E HN 0.382 nan 8.360 nan 0.000 0.477 167 Y N 1.040 121.341 120.300 0.001 0.000 2.365 167 Y HA -0.101 4.449 4.550 0.000 0.000 0.293 167 Y C 2.616 178.382 175.900 -0.223 0.000 1.119 167 Y CA 1.317 59.374 58.100 -0.071 0.000 1.203 167 Y CB 0.119 38.597 38.460 0.031 0.000 1.026 167 Y HN 0.192 nan 8.280 nan 0.000 0.549 168 Q N 0.940 120.549 119.800 -0.319 0.000 2.049 168 Q HA -0.145 4.195 4.340 0.000 0.000 0.198 168 Q C 1.860 177.789 176.000 -0.118 0.000 0.971 168 Q CA 1.722 57.252 55.803 -0.455 0.000 0.833 168 Q CB -0.347 27.791 28.738 -1.000 0.000 0.896 168 Q HN 0.271 nan 8.270 nan 0.000 0.434 169 R N 0.393 120.906 120.500 0.021 0.000 2.091 169 R HA -0.044 4.296 4.340 0.000 0.000 0.238 169 R C 2.412 178.737 176.300 0.041 0.000 1.136 169 R CA 1.362 57.522 56.100 0.100 0.000 0.959 169 R CB -0.701 29.684 30.300 0.143 0.000 0.856 169 R HN 0.436 nan 8.270 nan 0.000 0.437 170 A N 1.693 124.491 122.820 -0.037 0.000 1.873 170 A HA -0.166 4.154 4.320 0.000 0.000 0.215 170 A C 1.417 178.968 177.584 -0.055 0.000 1.186 170 A CA 1.286 53.277 52.037 -0.077 0.000 0.616 170 A CB -0.131 18.751 19.000 -0.197 0.000 0.823 170 A HN 0.490 nan 8.150 nan 0.000 0.442 171 Q N -1.231 118.535 119.800 -0.057 0.000 2.506 171 Q HA 0.640 4.980 4.340 0.000 0.000 0.380 171 Q C -0.860 175.125 176.000 -0.024 0.000 0.867 171 Q CA -0.284 55.500 55.803 -0.032 0.000 1.093 171 Q CB 0.615 29.336 28.738 -0.028 0.000 1.388 171 Q HN 0.205 nan 8.270 nan 0.000 0.400 172 S N -0.674 115.022 115.700 -0.006 0.000 2.643 172 S HA 0.678 5.148 4.470 0.000 0.000 0.270 172 S C -0.175 174.462 174.600 0.062 0.000 1.166 172 S CA -0.336 57.867 58.200 0.006 0.000 0.815 172 S CB 1.194 64.361 63.200 -0.055 0.000 1.139 172 S HN 0.608 nan 8.310 nan 0.000 0.472 173 G N 0.527 109.373 108.800 0.076 0.000 2.707 173 G HA2 0.225 4.185 3.960 0.000 0.000 0.231 173 G HA3 0.225 4.185 3.960 0.000 0.000 0.231 173 G C -0.602 174.408 174.900 0.184 0.000 1.246 173 G CA 0.165 45.339 45.100 0.124 0.000 0.852 173 G HN 0.471 nan 8.290 nan 0.000 0.584 174 F N 1.404 121.395 119.950 0.068 0.000 2.438 174 F HA 0.288 4.816 4.527 0.000 0.000 0.360 174 F C -0.149 175.721 175.800 0.118 0.000 1.118 174 F CA -1.371 56.678 58.000 0.080 0.000 1.164 174 F CB 0.834 39.869 39.000 0.060 0.000 1.131 174 F HN 0.219 nan 8.300 nan 0.000 0.527 175 D N 9.505 129.676 120.400 -0.382 0.000 2.396 175 D HA 0.199 4.839 4.640 0.000 0.000 0.225 175 D C -2.036 173.814 176.300 -0.749 0.000 1.121 175 D CA -1.234 52.565 54.000 -0.335 0.000 0.853 175 D CB 1.034 41.879 40.800 0.075 0.000 1.043 175 D HN 0.324 nan 8.370 nan 0.000 0.500 179 Q N 0.851 120.636 119.800 -0.025 0.000 2.479 179 Q HA 0.367 4.707 4.340 0.000 0.000 0.267 179 Q C -0.363 175.652 176.000 0.025 0.000 1.071 179 Q CA 0.399 56.254 55.803 0.087 0.000 0.935 179 Q CB 0.658 29.514 28.738 0.195 0.000 1.295 179 Q HN 0.311 nan 8.270 nan 0.000 0.476 180 V N 2.616 122.548 119.914 0.030 0.000 2.686 180 V HA 0.272 4.392 4.120 0.000 0.000 0.295 180 V C 0.618 176.671 176.094 -0.068 0.000 1.057 180 V CA 0.060 62.352 62.300 -0.014 0.000 1.012 180 V CB 1.226 33.037 31.823 -0.020 0.000 1.006 180 V HN 1.050 nan 8.190 nan 0.000 0.477 181 T N -0.618 113.886 114.554 -0.083 0.000 2.807 181 T HA 0.342 4.692 4.350 0.000 0.000 0.277 181 T C 0.799 175.371 174.700 -0.212 0.000 1.006 181 T CA 0.200 62.233 62.100 -0.112 0.000 1.006 181 T CB 1.598 70.433 68.868 -0.054 0.000 1.274 181 T HN 0.714 nan 8.240 nan 0.000 0.569 182 T N -1.925 112.538 114.554 -0.152 0.000 3.086 182 T HA 0.496 4.846 4.350 0.000 0.000 0.250 182 T C 0.901 175.681 174.700 0.134 0.000 1.074 182 T CA -0.029 61.988 62.100 -0.138 0.000 0.988 182 T CB -0.467 68.341 68.868 -0.099 0.000 0.988 182 T HN 0.959 nan 8.240 nan 0.000 0.530 183 A N 2.179 125.068 122.820 0.114 0.000 2.388 183 A HA 0.607 4.927 4.320 0.000 0.000 0.257 183 A C 0.812 178.505 177.584 0.182 0.000 1.095 183 A CA -0.221 51.885 52.037 0.116 0.000 0.791 183 A CB 0.268 19.296 19.000 0.046 0.000 1.029 183 A HN 0.600 nan 8.150 nan 0.000 0.489 184 T N -0.421 114.187 114.554 0.090 0.000 2.724 184 T HA 0.415 4.765 4.350 0.000 0.000 0.274 184 T C 0.969 175.641 174.700 -0.047 0.000 0.984 184 T CA -0.052 62.048 62.100 0.001 0.000 1.024 184 T CB 0.237 69.062 68.868 -0.073 0.000 1.320 184 T HN 0.857 nan 8.240 nan 0.000 0.555 185 L N 1.275 122.441 121.223 -0.095 0.000 2.129 185 L HA 0.150 4.490 4.340 0.000 0.000 0.212 185 L C 2.372 179.193 176.870 -0.082 0.000 1.087 185 L CA 2.710 57.486 54.840 -0.107 0.000 0.757 185 L CB -1.204 40.783 42.059 -0.120 0.000 0.896 185 L HN 0.940 nan 8.230 nan 0.000 0.434 186 G N -1.664 107.099 108.800 -0.062 0.000 2.484 186 G HA2 -0.173 3.787 3.960 0.000 0.000 0.218 186 G HA3 -0.173 3.787 3.960 0.000 0.000 0.218 186 G C 1.196 176.079 174.900 -0.029 0.000 1.130 186 G CA 0.639 45.712 45.100 -0.045 0.000 0.784 186 G HN 0.501 nan 8.290 nan 0.000 0.543 187 D N 0.848 121.235 120.400 -0.021 0.000 2.347 187 D HA 0.113 4.754 4.640 0.000 0.000 0.213 187 D C 1.543 177.842 176.300 -0.001 0.000 0.985 187 D CA 0.280 54.276 54.000 -0.006 0.000 0.879 187 D CB 0.270 41.073 40.800 0.006 0.000 0.919 187 D HN 0.281 nan 8.370 nan 0.000 0.526 188 A N 1.824 124.634 122.820 -0.016 0.000 2.491 188 A HA 0.117 4.437 4.320 0.000 0.000 0.261 188 A C 0.399 177.992 177.584 0.015 0.000 1.101 188 A CA -0.068 51.971 52.037 0.003 0.000 0.772 188 A CB 0.082 19.027 19.000 -0.091 0.000 1.043 188 A HN 0.057 nan 8.150 nan 0.000 0.501 189 R N 4.549 125.082 120.500 0.055 0.000 2.389 189 R HA 0.192 4.532 4.340 0.000 0.000 0.295 189 R C -1.605 174.716 176.300 0.034 0.000 1.075 189 R CA -1.468 54.650 56.100 0.029 0.000 1.005 189 R CB 0.662 30.975 30.300 0.021 0.000 0.987 189 R HN 0.593 nan 8.270 nan 0.000 0.452 190 P HA -0.262 nan 4.420 nan 0.000 0.215 190 P C 1.052 178.348 177.300 -0.006 0.000 1.157 190 P CA 1.620 64.715 63.100 -0.008 0.000 0.868 190 P CB 0.146 31.834 31.700 -0.021 0.000 0.788 191 A N 0.932 123.743 122.820 -0.015 0.000 1.903 191 A HA -0.204 4.116 4.320 0.000 0.000 0.219 191 A C 2.584 180.141 177.584 -0.044 0.000 1.191 191 A CA 2.877 54.893 52.037 -0.036 0.000 0.638 191 A CB -1.672 17.306 19.000 -0.037 0.000 0.823 191 A HN 0.281 nan 8.150 nan 0.000 0.451 192 A N -0.719 122.101 122.820 0.001 0.000 1.933 192 A HA 0.009 4.329 4.320 0.000 0.000 0.218 192 A C 2.182 179.845 177.584 0.132 0.000 1.175 192 A CA 1.492 53.535 52.037 0.011 0.000 0.628 192 A CB -0.512 18.519 19.000 0.052 0.000 0.814 192 A HN 0.492 nan 8.150 nan 0.000 0.444 193 L N -1.002 120.326 121.223 0.174 0.000 2.072 193 L HA -0.118 4.222 4.340 0.000 0.000 0.205 193 L C 3.104 179.992 176.870 0.029 0.000 1.079 193 L CA 0.855 55.775 54.840 0.133 0.000 0.752 193 L CB -0.579 41.477 42.059 -0.005 0.000 0.906 193 L HN 0.419 nan 8.230 nan 0.000 0.436 194 A N 0.372 123.177 122.820 -0.026 0.000 1.917 194 A HA -0.214 4.106 4.320 0.000 0.000 0.219 194 A C 2.264 179.753 177.584 -0.158 0.000 1.182 194 A CA 1.653 53.646 52.037 -0.073 0.000 0.633 194 A CB -0.780 18.172 19.000 -0.080 0.000 0.819 194 A HN 0.358 nan 8.150 nan 0.000 0.448 195 L N -0.991 120.074 121.223 -0.264 0.000 2.046 195 L HA -0.190 4.150 4.340 0.000 0.000 0.208 195 L C 3.132 179.675 176.870 -0.546 0.000 1.077 195 L CA 0.943 55.402 54.840 -0.635 0.000 0.747 195 L CB -0.563 41.028 42.059 -0.781 0.000 0.896 195 L HN 0.463 nan 8.230 nan 0.000 0.432 196 A N 0.386 123.144 122.820 -0.104 0.000 1.873 196 A HA -0.261 4.059 4.320 0.000 0.000 0.218 196 A C 2.364 180.124 177.584 0.293 0.000 1.193 196 A CA 1.929 54.093 52.037 0.211 0.000 0.629 196 A CB -0.548 18.615 19.000 0.273 0.000 0.826 196 A HN 0.335 nan 8.150 nan 0.000 0.447 197 R N -0.051 120.560 120.500 0.184 0.000 2.073 197 R HA -0.154 4.186 4.340 0.000 0.000 0.234 197 R C 2.352 178.714 176.300 0.102 0.000 1.134 197 R CA 1.746 57.968 56.100 0.204 0.000 0.952 197 R CB -0.407 29.959 30.300 0.110 0.000 0.850 197 R HN 0.779 nan 8.270 nan 0.000 0.433 198 K N -0.154 120.226 120.400 -0.033 0.000 2.280 198 K HA -0.149 4.171 4.320 0.000 0.000 0.202 198 K C 1.234 177.885 176.600 0.085 0.000 1.047 198 K CA 1.139 57.396 56.287 -0.049 0.000 0.942 198 K CB -0.002 32.392 32.500 -0.177 0.000 0.739 198 K HN 0.213 nan 8.250 nan 0.000 0.457 199 W N 1.232 122.581 121.300 0.082 0.000 2.640 199 W HA 0.197 4.857 4.660 0.000 0.000 0.268 199 W C 0.017 176.562 176.519 0.043 0.000 1.263 199 W CA 0.050 57.436 57.345 0.069 0.000 1.344 199 W CB 0.079 29.593 29.460 0.090 0.000 1.093 199 W HN 0.086 nan 8.180 nan 0.000 0.603 200 D N -0.195 120.355 120.400 0.251 0.000 2.402 200 D HA 0.150 4.790 4.640 0.000 0.000 0.252 200 D C -1.720 174.503 176.300 -0.127 0.000 1.294 200 D CA -1.812 52.186 54.000 -0.004 0.000 0.948 200 D CB 2.226 42.932 40.800 -0.156 0.000 1.202 200 D HN -0.197 nan 8.370 nan 0.000 0.561 201 P HA -0.080 nan 4.420 nan 0.000 0.225 201 P C 1.157 178.364 177.300 -0.154 0.000 1.148 201 P CA 0.369 63.422 63.100 -0.079 0.000 0.779 201 P CB 0.382 32.056 31.700 -0.044 0.000 0.780 202 A N 0.132 122.755 122.820 -0.329 0.000 1.948 202 A HA -0.191 4.129 4.320 0.000 0.000 0.220 202 A C 1.815 179.247 177.584 -0.253 0.000 1.177 202 A CA 1.522 53.347 52.037 -0.353 0.000 0.636 202 A CB -1.682 17.012 19.000 -0.510 0.000 0.815 202 A HN 0.116 nan 8.150 nan 0.000 0.449 203 F N -0.069 119.894 119.950 0.023 0.000 2.456 203 F HA 0.190 4.717 4.527 0.000 0.000 0.298 203 F C 2.575 178.376 175.800 0.001 0.000 1.104 203 F CA -0.179 57.827 58.000 0.010 0.000 1.435 203 F CB -1.022 37.987 39.000 0.015 0.000 1.078 203 F HN 0.233 nan 8.300 nan 0.000 0.546 204 A N -0.096 122.795 122.820 0.119 0.000 2.104 204 A HA -0.273 4.048 4.320 0.000 0.000 0.223 204 A C 1.840 179.456 177.584 0.053 0.000 1.164 204 A CA 1.957 54.037 52.037 0.070 0.000 0.659 204 A CB -0.831 18.185 19.000 0.027 0.000 0.808 204 A HN 0.481 nan 8.150 nan 0.000 0.465 205 E N -0.945 119.287 120.200 0.053 0.000 2.499 205 E HA 0.388 4.738 4.350 0.000 0.000 0.207 205 E C -1.167 175.458 176.600 0.042 0.000 1.034 205 E CA -0.301 56.121 56.400 0.036 0.000 1.098 205 E CB -0.085 29.628 29.700 0.022 0.000 1.148 205 E HN 0.587 nan 8.360 nan 0.000 0.447 206 L N -2.984 118.273 121.223 0.055 0.000 2.556 206 L HA 0.433 4.773 4.340 0.000 0.000 0.257 206 L C -0.019 176.859 176.870 0.014 0.000 0.955 206 L CA -1.210 53.653 54.840 0.038 0.000 0.850 206 L CB 0.780 42.873 42.059 0.056 0.000 1.398 206 L HN -0.098 nan 8.230 nan 0.000 0.412 207 T N -2.371 112.176 114.554 -0.011 0.000 2.906 207 T HA 0.092 4.443 4.350 0.000 0.000 0.320 207 T C 0.654 175.313 174.700 -0.069 0.000 1.088 207 T CA 0.547 62.626 62.100 -0.036 0.000 1.120 207 T CB 0.305 69.149 68.868 -0.040 0.000 1.000 207 T HN 0.720 nan 8.240 nan 0.000 0.550 208 D N 0.813 121.161 120.400 -0.088 0.000 2.133 208 D HA -0.128 4.512 4.640 0.000 0.000 0.195 208 D C 1.833 178.024 176.300 -0.180 0.000 0.997 208 D CA 1.824 55.739 54.000 -0.143 0.000 0.840 208 D CB -0.286 40.433 40.800 -0.134 0.000 0.947 208 D HN 0.914 nan 8.370 nan 0.000 0.452 209 E N 0.665 120.783 120.200 -0.137 0.000 2.023 209 E HA -0.211 4.139 4.350 0.000 0.000 0.196 209 E C 1.814 178.335 176.600 -0.133 0.000 1.003 209 E CA 1.212 57.530 56.400 -0.137 0.000 0.809 209 E CB 0.064 29.704 29.700 -0.100 0.000 0.755 209 E HN 0.331 nan 8.360 nan 0.000 0.449 210 E N 0.582 120.725 120.200 -0.095 0.000 2.160 210 E HA -0.220 4.130 4.350 0.000 0.000 0.195 210 E C 2.279 178.819 176.600 -0.100 0.000 0.991 210 E CA 0.861 57.220 56.400 -0.068 0.000 0.810 210 E CB -0.169 29.513 29.700 -0.029 0.000 0.742 210 E HN 0.354 nan 8.360 nan 0.000 0.466 211 L N 0.861 121.985 121.223 -0.165 0.000 1.961 211 L HA -0.192 4.149 4.340 0.000 0.000 0.209 211 L C 2.365 179.014 176.870 -0.367 0.000 1.075 211 L CA 1.168 55.825 54.840 -0.305 0.000 0.749 211 L CB -0.202 41.622 42.059 -0.391 0.000 0.890 211 L HN 0.142 nan 8.230 nan 0.000 0.433 212 L N -0.302 120.677 121.223 -0.407 0.000 2.189 212 L HA -0.280 4.060 4.340 0.000 0.000 0.214 212 L C 2.741 179.469 176.870 -0.237 0.000 1.097 212 L CA 1.541 56.131 54.840 -0.418 0.000 0.764 212 L CB -0.678 41.116 42.059 -0.441 0.000 0.900 212 L HN 0.407 nan 8.230 nan 0.000 0.436 213 R N 0.315 120.716 120.500 -0.165 0.000 2.062 213 R HA -0.063 4.277 4.340 0.000 0.000 0.226 213 R C 2.363 178.642 176.300 -0.035 0.000 1.125 213 R CA 1.173 57.225 56.100 -0.079 0.000 0.966 213 R CB -0.464 29.805 30.300 -0.053 0.000 0.861 213 R HN 0.249 nan 8.270 nan 0.000 0.433 214 G N 2.318 111.091 108.800 -0.044 0.000 2.469 214 G HA2 -0.276 3.684 3.960 0.000 0.000 0.219 214 G HA3 -0.276 3.684 3.960 0.000 0.000 0.219 214 G C 1.508 176.431 174.900 0.039 0.000 1.150 214 G CA 1.235 46.347 45.100 0.020 0.000 0.763 214 G HN 0.545 nan 8.290 nan 0.000 0.561 215 I N -2.294 118.252 120.570 -0.039 0.000 2.614 215 I HA 0.274 4.444 4.170 0.000 0.000 0.258 215 I C 1.745 177.876 176.117 0.024 0.000 1.189 215 I CA 1.047 62.346 61.300 -0.001 0.000 1.462 215 I CB -0.209 37.739 38.000 -0.088 0.000 1.092 215 I HN 0.339 nan 8.210 nan 0.000 0.442 216 G N 0.878 109.682 108.800 0.005 0.000 2.138 216 G HA2 -0.168 3.792 3.960 0.000 0.000 0.193 216 G HA3 -0.168 3.792 3.960 0.000 0.000 0.193 216 G C 0.714 175.557 174.900 -0.097 0.000 0.998 216 G CA 0.132 45.252 45.100 0.033 0.000 0.668 216 G HN 0.745 nan 8.290 nan 0.000 0.516 217 A N -0.754 121.996 122.820 -0.115 0.000 2.252 217 A HA 0.655 4.975 4.320 0.000 0.000 0.213 217 A C 0.939 178.469 177.584 -0.091 0.000 1.188 217 A CA 0.419 52.378 52.037 -0.130 0.000 0.863 217 A CB 0.279 19.207 19.000 -0.120 0.000 0.893 217 A HN 0.810 nan 8.150 nan 0.000 0.495 218 L N 1.850 123.024 121.223 -0.082 0.000 2.262 218 L HA 0.284 4.624 4.340 0.000 0.000 0.288 218 L C -0.850 176.012 176.870 -0.013 0.000 1.035 218 L CA -0.205 54.596 54.840 -0.065 0.000 0.820 218 L CB 0.542 42.538 42.059 -0.106 0.000 1.204 218 L HN 0.225 nan 8.230 nan 0.000 0.424 219 D N 3.511 123.923 120.400 0.019 0.000 2.419 219 D HA 0.008 4.648 4.640 0.000 0.000 0.236 219 D C 1.081 177.396 176.300 0.025 0.000 1.165 219 D CA 0.592 54.627 54.000 0.059 0.000 0.882 219 D CB 1.552 42.438 40.800 0.143 0.000 1.201 219 D HN 0.665 nan 8.370 nan 0.000 0.443 220 A N 3.082 125.929 122.820 0.046 0.000 2.070 220 A HA -0.162 4.158 4.320 0.000 0.000 0.220 220 A C 1.857 179.439 177.584 -0.004 0.000 1.159 220 A CA 1.413 53.466 52.037 0.026 0.000 0.656 220 A CB -0.313 18.714 19.000 0.044 0.000 0.800 220 A HN 0.637 nan 8.150 nan 0.000 0.453 221 E N -1.933 118.271 120.200 0.006 0.000 2.318 221 E HA 0.271 4.621 4.350 0.000 0.000 0.193 221 E C 1.238 177.684 176.600 -0.257 0.000 0.998 221 E CA 0.950 57.319 56.400 -0.052 0.000 0.859 221 E CB 0.149 29.913 29.700 0.107 0.000 0.812 221 E HN 0.715 nan 8.360 nan 0.000 0.492 222 G N -0.721 107.939 108.800 -0.234 0.000 2.175 222 G HA2 -0.190 3.770 3.960 0.000 0.000 0.182 222 G HA3 -0.190 3.770 3.960 0.000 0.000 0.182 222 G C -0.257 174.411 174.900 -0.386 0.000 1.003 222 G CA -0.473 44.433 45.100 -0.324 0.000 0.666 222 G HN 0.085 nan 8.290 nan 0.000 0.506 223 F N 0.839 120.768 119.950 -0.035 0.000 2.399 223 F HA 0.729 5.256 4.527 0.000 0.000 0.334 223 F C 1.061 176.831 175.800 -0.050 0.000 1.097 223 F CA -1.053 56.924 58.000 -0.038 0.000 1.076 223 F CB 1.121 40.105 39.000 -0.027 0.000 1.162 223 F HN -0.049 nan 8.300 nan 0.000 0.495 224 L N 2.011 123.326 121.223 0.154 0.000 2.418 224 L HA 0.356 4.697 4.340 0.000 0.000 0.265 224 L C 0.634 177.518 176.870 0.024 0.000 1.143 224 L CA -0.503 54.361 54.840 0.040 0.000 0.809 224 L CB 0.948 43.012 42.059 0.009 0.000 1.124 224 L HN 0.772 nan 8.230 nan 0.000 0.456 225 S N 0.416 116.095 115.700 -0.036 0.000 2.661 225 S HA 0.103 4.573 4.470 0.000 0.000 0.265 225 S C 0.599 175.140 174.600 -0.097 0.000 1.225 225 S CA -0.526 57.632 58.200 -0.070 0.000 0.986 225 S CB 1.189 64.306 63.200 -0.139 0.000 1.008 225 S HN 0.596 nan 8.310 nan 0.000 0.565 226 Q N 0.440 120.167 119.800 -0.122 0.000 2.135 226 Q HA 0.012 4.352 4.340 0.000 0.000 0.204 226 Q C 2.148 178.019 176.000 -0.215 0.000 0.981 226 Q CA 2.167 57.877 55.803 -0.155 0.000 0.856 226 Q CB -1.014 27.625 28.738 -0.165 0.000 0.902 226 Q HN 0.880 nan 8.270 nan 0.000 0.425 227 A N -0.868 121.813 122.820 -0.232 0.000 1.898 227 A HA 0.093 4.413 4.320 0.000 0.000 0.214 227 A C 2.243 179.720 177.584 -0.179 0.000 1.183 227 A CA 1.208 53.094 52.037 -0.252 0.000 0.622 227 A CB -1.113 17.738 19.000 -0.249 0.000 0.824 227 A HN 0.487 nan 8.150 nan 0.000 0.444 228 G N 0.086 108.815 108.800 -0.118 0.000 2.446 228 G HA2 -0.320 3.640 3.960 0.000 0.000 0.217 228 G HA3 -0.320 3.640 3.960 0.000 0.000 0.217 228 G C 1.659 176.578 174.900 0.031 0.000 1.168 228 G CA 1.322 46.423 45.100 0.001 0.000 0.771 228 G HN 0.575 nan 8.290 nan 0.000 0.551 229 K N -0.195 120.177 120.400 -0.046 0.000 2.097 229 K HA -0.018 4.302 4.320 0.000 0.000 0.206 229 K C 2.369 178.910 176.600 -0.099 0.000 1.049 229 K CA 1.123 57.382 56.287 -0.048 0.000 0.933 229 K CB -0.204 32.258 32.500 -0.064 0.000 0.717 229 K HN 0.290 nan 8.250 nan 0.000 0.442 230 L N 0.804 121.912 121.223 -0.191 0.000 2.217 230 L HA -0.023 4.317 4.340 0.000 0.000 0.211 230 L C 1.599 178.296 176.870 -0.289 0.000 1.107 230 L CA 1.287 55.946 54.840 -0.301 0.000 0.783 230 L CB -0.114 41.642 42.059 -0.505 0.000 0.919 230 L HN 0.138 nan 8.230 nan 0.000 0.442 231 L N -1.975 119.085 121.223 -0.272 0.000 2.354 231 L HA 0.153 4.493 4.340 0.000 0.000 0.212 231 L C 1.358 177.887 176.870 -0.569 0.000 1.091 231 L CA 1.320 55.904 54.840 -0.426 0.000 0.828 231 L CB -0.336 41.380 42.059 -0.573 0.000 0.973 231 L HN 0.149 nan 8.230 nan 0.000 0.461 232 F N -1.999 117.876 119.950 -0.125 0.000 2.682 232 F HA 0.267 4.794 4.527 0.000 0.000 0.308 232 F C 0.594 176.344 175.800 -0.084 0.000 1.093 232 F CA -0.097 57.842 58.000 -0.101 0.000 1.244 232 F CB 0.403 39.335 39.000 -0.114 0.000 1.052 232 F HN -0.253 nan 8.300 nan 0.000 0.573 233 T N -0.339 114.237 114.554 0.036 0.000 2.876 233 T HA 0.272 4.622 4.350 0.000 0.000 0.289 233 T C -0.059 174.625 174.700 -0.026 0.000 1.014 233 T CA -0.696 61.410 62.100 0.009 0.000 0.986 233 T CB 1.601 70.472 68.868 0.004 0.000 1.021 233 T HN -0.194 nan 8.240 nan 0.000 0.458 234 S N 2.683 118.373 115.700 -0.017 0.000 2.673 234 S HA 0.004 4.474 4.470 0.000 0.000 0.308 234 S C 1.519 176.106 174.600 -0.022 0.000 1.246 234 S CA -0.273 57.915 58.200 -0.020 0.000 1.077 234 S CB -0.245 62.946 63.200 -0.014 0.000 0.814 234 S HN 0.671 nan 8.310 nan 0.000 0.503 235 L N 0.029 121.241 121.223 -0.018 0.000 2.628 235 L HA 0.323 4.663 4.340 0.000 0.000 0.229 235 L C -0.437 176.441 176.870 0.014 0.000 1.137 235 L CA -0.255 54.578 54.840 -0.012 0.000 0.909 235 L CB -0.392 41.660 42.059 -0.012 0.000 1.137 235 L HN 0.379 nan 8.230 nan 0.000 0.470 236 D N 2.646 123.052 120.400 0.009 0.000 2.692 236 D HA -0.226 4.414 4.640 0.000 0.000 0.233 236 D C 0.033 176.350 176.300 0.028 0.000 1.172 236 D CA 1.470 55.478 54.000 0.013 0.000 0.636 236 D CB -0.569 40.237 40.800 0.009 0.000 1.028 236 D HN 0.916 nan 8.370 nan 0.000 0.419 237 R N -3.339 117.186 120.500 0.041 0.000 3.681 237 R HA 0.252 4.592 4.340 0.000 0.000 0.252 237 R C -1.248 175.100 176.300 0.079 0.000 1.000 237 R CA -0.825 55.309 56.100 0.058 0.000 1.056 237 R CB 0.193 30.536 30.300 0.072 0.000 1.243 237 R HN -0.164 nan 8.270 nan 0.000 0.549 238 T N 2.060 116.657 114.554 0.071 0.000 2.902 238 T HA 0.288 4.639 4.350 0.000 0.000 0.301 238 T C 1.161 175.931 174.700 0.117 0.000 1.012 238 T CA 0.664 62.814 62.100 0.084 0.000 1.151 238 T CB 1.372 70.280 68.868 0.067 0.000 0.946 238 T HN 0.640 nan 8.240 nan 0.000 0.542 239 A N 3.845 126.757 122.820 0.153 0.000 1.973 239 A HA 0.517 4.837 4.320 0.000 0.000 0.210 239 A C 0.693 178.330 177.584 0.087 0.000 1.200 239 A CA 0.241 52.391 52.037 0.188 0.000 0.707 239 A CB 0.266 19.499 19.000 0.389 0.000 0.862 239 A HN 0.754 nan 8.150 nan 0.000 0.461 240 I N -0.020 120.615 120.570 0.108 0.000 2.775 240 I HA 0.411 4.581 4.170 0.000 0.000 0.295 240 I C -2.074 174.103 176.117 0.100 0.000 1.287 240 I CA -0.758 60.593 61.300 0.085 0.000 1.029 240 I CB 2.139 40.194 38.000 0.092 0.000 1.282 240 I HN 0.472 nan 8.210 nan 0.000 0.426 241 E N 6.410 126.661 120.200 0.084 0.000 2.343 241 E HA 0.455 4.805 4.350 0.000 0.000 0.278 241 E C -2.031 174.611 176.600 0.068 0.000 0.910 241 E CA -0.952 55.499 56.400 0.086 0.000 0.757 241 E CB 2.703 32.449 29.700 0.077 0.000 1.218 241 E HN 0.441 nan 8.360 nan 0.000 0.435 242 L N 1.438 122.695 121.223 0.056 0.000 2.322 242 L HA 0.614 4.954 4.340 0.000 0.000 0.279 242 L C -1.210 175.666 176.870 0.009 0.000 1.036 242 L CA 0.003 54.868 54.840 0.041 0.000 0.807 242 L CB 1.910 43.978 42.059 0.016 0.000 1.226 242 L HN 0.644 nan 8.230 nan 0.000 0.433 243 S N 5.799 121.502 115.700 0.005 0.000 2.756 243 S HA 0.574 5.044 4.470 0.000 0.000 0.303 243 S C -0.480 174.031 174.600 -0.148 0.000 1.135 243 S CA -0.395 57.730 58.200 -0.124 0.000 1.066 243 S CB 0.743 63.834 63.200 -0.181 0.000 1.008 243 S HN 0.526 nan 8.310 nan 0.000 0.482 244 I N 3.679 124.157 120.570 -0.153 0.000 2.352 244 I HA 0.331 4.501 4.170 0.000 0.000 0.290 244 I C -0.608 175.417 176.117 -0.154 0.000 1.036 244 I CA -0.054 61.235 61.300 -0.018 0.000 1.336 244 I CB 0.231 38.245 38.000 0.023 0.000 1.407 244 I HN 0.455 nan 8.210 nan 0.000 0.497 245 F N 3.765 123.786 119.950 0.118 0.000 2.497 245 F HA 0.239 4.767 4.527 0.000 0.000 0.331 245 F C 1.293 177.136 175.800 0.071 0.000 1.060 245 F CA -0.345 57.699 58.000 0.073 0.000 0.989 245 F CB 0.924 39.958 39.000 0.057 0.000 1.245 245 F HN 0.402 nan 8.300 nan 0.000 0.486 246 D N -0.188 120.384 120.400 0.287 0.000 2.201 246 D HA 0.056 4.696 4.640 0.000 0.000 0.209 246 D C -0.701 175.673 176.300 0.123 0.000 0.961 246 D CA 1.163 55.260 54.000 0.161 0.000 0.861 246 D CB 0.649 41.519 40.800 0.118 0.000 0.997 246 D HN 0.138 nan 8.370 nan 0.000 0.486 247 V N -0.110 119.877 119.914 0.122 0.000 3.036 247 V HA 0.163 4.283 4.120 0.000 0.000 0.280 247 V C -1.503 174.604 176.094 0.022 0.000 1.497 247 V CA -0.866 61.466 62.300 0.053 0.000 0.982 247 V CB 1.430 33.272 31.823 0.031 0.000 1.171 247 V HN 0.122 nan 8.190 nan 0.000 0.444 248 H N 4.444 123.428 119.070 -0.143 0.000 3.267 248 H HA 0.403 4.959 4.556 0.000 0.000 0.239 248 H C 0.956 176.178 175.328 -0.177 0.000 0.836 248 H CA 2.042 57.958 56.048 -0.221 0.000 1.388 248 H CB 0.345 29.996 29.762 -0.186 0.000 1.505 248 H HN 1.218 nan 8.280 nan 0.000 0.510 249 G N 2.141 110.746 108.800 -0.325 0.000 4.541 249 G HA2 0.346 4.306 3.960 0.000 0.000 0.221 249 G HA3 0.346 4.306 3.960 0.000 0.000 0.221 249 G C 0.382 175.183 174.900 -0.165 0.000 0.774 249 G CA 0.088 45.049 45.100 -0.232 0.000 1.044 249 G HN 1.132 nan 8.290 nan 0.000 0.768 250 G N -0.328 108.342 108.800 -0.216 0.000 2.728 250 G HA2 0.399 4.359 3.960 0.000 0.000 0.294 250 G HA3 0.399 4.359 3.960 0.000 0.000 0.294 250 G C -0.091 174.933 174.900 0.207 0.000 1.342 250 G CA 0.687 45.791 45.100 0.008 0.000 0.866 250 G HN 1.911 nan 8.290 nan 0.000 0.534 251 Q N -2.531 117.415 119.800 0.243 0.000 2.222 251 Q HA -0.021 4.319 4.340 0.000 0.000 0.308 251 Q C -0.106 176.016 176.000 0.203 0.000 1.111 251 Q CA 0.818 56.723 55.803 0.169 0.000 0.691 251 Q CB -1.156 27.649 28.738 0.112 0.000 0.871 251 Q HN 1.843 nan 8.270 nan 0.000 0.323 252 V N 6.328 126.273 119.914 0.053 0.000 2.397 252 V HA 0.062 4.182 4.120 0.000 0.000 0.262 252 V C 1.817 177.831 176.094 -0.133 0.000 1.047 252 V CA 0.373 62.533 62.300 -0.234 0.000 1.003 252 V CB 0.408 32.061 31.823 -0.283 0.000 1.037 252 V HN 0.764 nan 8.190 nan 0.000 0.480 253 L N 3.114 124.267 121.223 -0.117 0.000 2.005 253 L HA 0.063 4.404 4.340 0.000 0.000 0.207 253 L C 1.180 178.007 176.870 -0.072 0.000 1.072 253 L CA 1.314 56.123 54.840 -0.052 0.000 0.744 253 L CB -0.073 41.981 42.059 -0.009 0.000 0.895 253 L HN 0.761 nan 8.230 nan 0.000 0.433 254 N N -0.892 117.741 118.700 -0.112 0.000 2.859 254 N HA 0.277 5.017 4.740 0.000 0.000 0.250 254 N C -1.710 173.729 175.510 -0.118 0.000 1.341 254 N CA -0.591 52.404 53.050 -0.092 0.000 0.881 254 N CB 1.985 40.437 38.487 -0.057 0.000 1.516 254 N HN 0.060 nan 8.380 nan 0.000 0.503 255 R N -0.263 120.187 120.500 -0.083 0.000 2.771 255 R HA 0.735 5.075 4.340 0.000 0.000 0.274 255 R C -1.481 174.804 176.300 -0.024 0.000 0.987 255 R CA -0.949 55.109 56.100 -0.070 0.000 0.908 255 R CB 1.780 32.034 30.300 -0.076 0.000 1.213 255 R HN 0.117 nan 8.270 nan 0.000 0.468 256 V N 2.641 122.552 119.914 -0.005 0.000 2.483 256 V HA 0.595 4.715 4.120 0.000 0.000 0.297 256 V C -0.941 175.220 176.094 0.111 0.000 1.027 256 V CA -0.509 61.817 62.300 0.043 0.000 0.855 256 V CB 1.715 33.519 31.823 -0.032 0.000 0.995 256 V HN 0.691 nan 8.190 nan 0.000 0.424 257 V N 6.064 126.076 119.914 0.163 0.000 2.444 257 V HA 0.765 4.885 4.120 0.000 0.000 0.294 257 V C -2.376 173.822 176.094 0.174 0.000 1.022 257 V CA -1.968 60.423 62.300 0.151 0.000 0.850 257 V CB 1.404 33.274 31.823 0.079 0.000 0.992 257 V HN 0.782 nan 8.190 nan 0.000 0.426 258 P HA 0.251 nan 4.420 nan 0.000 0.271 258 P C -0.330 176.892 177.300 -0.130 0.000 1.218 258 P CA 0.004 63.052 63.100 -0.087 0.000 0.780 258 P CB 0.880 32.616 31.700 0.061 0.000 0.901 259 E N 4.105 124.152 120.200 -0.255 0.000 2.415 259 E HA 0.005 4.355 4.350 0.000 0.000 0.263 259 E C -1.141 175.412 176.600 -0.078 0.000 0.995 259 E CA -1.052 55.262 56.400 -0.143 0.000 0.915 259 E CB -0.012 29.590 29.700 -0.165 0.000 0.951 259 E HN 0.387 nan 8.360 nan 0.000 0.449 260 P HA -0.193 nan 4.420 nan 0.000 0.221 260 P C -0.091 177.202 177.300 -0.012 0.000 1.145 260 P CA 1.212 64.308 63.100 -0.007 0.000 0.795 260 P CB 0.391 32.093 31.700 0.004 0.000 0.775 261 E N -0.221 119.962 120.200 -0.029 0.000 2.435 261 E HA 0.019 4.369 4.350 0.000 0.000 0.195 261 E C 0.599 177.180 176.600 -0.032 0.000 1.029 261 E CA 0.382 56.767 56.400 -0.026 0.000 0.865 261 E CB -0.439 29.243 29.700 -0.030 0.000 0.833 261 E HN 0.333 nan 8.360 nan 0.000 0.510 262 K N 1.825 122.198 120.400 -0.045 0.000 2.350 262 K HA 0.160 4.480 4.320 0.000 0.000 0.279 262 K C 0.343 176.928 176.600 -0.024 0.000 1.027 262 K CA -0.164 56.095 56.287 -0.046 0.000 0.969 262 K CB 0.845 33.300 32.500 -0.076 0.000 0.954 262 K HN 0.107 nan 8.250 nan 0.000 0.474 263 S N 1.124 116.806 115.700 -0.031 0.000 2.587 263 S HA -0.068 4.402 4.470 0.000 0.000 0.260 263 S C 1.404 175.986 174.600 -0.030 0.000 1.353 263 S CA -0.727 57.445 58.200 -0.047 0.000 0.995 263 S CB 0.925 64.080 63.200 -0.075 0.000 0.912 263 S HN 0.813 nan 8.310 nan 0.000 0.568 264 C N 0.739 120.005 119.300 -0.056 0.000 2.429 264 C HA -0.023 4.437 4.460 0.000 0.000 0.277 264 C C 2.655 177.681 174.990 0.060 0.000 1.262 264 C CA 0.810 59.839 59.018 0.018 0.000 1.733 264 C CB -1.895 25.817 27.740 -0.048 0.000 2.010 264 C HN 0.848 nan 8.230 nan 0.000 0.483 265 L N 0.248 121.448 121.223 -0.038 0.000 1.989 265 L HA -0.188 4.152 4.340 0.000 0.000 0.211 265 L C 2.678 179.633 176.870 0.140 0.000 1.071 265 L CA 2.011 56.887 54.840 0.060 0.000 0.749 265 L CB -0.869 41.123 42.059 -0.111 0.000 0.890 265 L HN 0.425 nan 8.230 nan 0.000 0.431 266 E N -0.421 119.804 120.200 0.040 0.000 2.070 266 E HA -0.302 4.048 4.350 0.000 0.000 0.197 266 E C 2.258 178.935 176.600 0.128 0.000 1.004 266 E CA 1.473 57.907 56.400 0.056 0.000 0.805 266 E CB -0.094 29.602 29.700 -0.005 0.000 0.744 266 E HN 0.532 nan 8.360 nan 0.000 0.451 267 Q N 0.151 120.023 119.800 0.119 0.000 2.050 267 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 267 Q C 2.421 178.556 176.000 0.225 0.000 0.980 267 Q CA 1.021 56.923 55.803 0.165 0.000 0.840 267 Q CB -0.205 28.620 28.738 0.145 0.000 0.898 267 Q HN 0.214 nan 8.270 nan 0.000 0.424 268 L N 1.451 122.808 121.223 0.225 0.000 2.012 268 L HA -0.244 4.097 4.340 0.000 0.000 0.210 268 L C 1.874 178.889 176.870 0.242 0.000 1.073 268 L CA 2.366 57.339 54.840 0.221 0.000 0.748 268 L CB -0.631 41.565 42.059 0.229 0.000 0.891 268 L HN 0.177 nan 8.230 nan 0.000 0.431 269 D N -1.824 118.779 120.400 0.338 0.000 2.103 269 D HA -0.328 4.312 4.640 0.000 0.000 0.190 269 D C 2.118 178.568 176.300 0.249 0.000 0.997 269 D CA 1.847 56.063 54.000 0.362 0.000 0.833 269 D CB -0.448 40.556 40.800 0.341 0.000 0.961 269 D HN 0.466 nan 8.370 nan 0.000 0.447 270 Y N 0.508 120.870 120.300 0.103 0.000 2.040 270 Y HA -0.234 4.316 4.550 0.000 0.000 0.275 270 Y C 2.296 178.225 175.900 0.050 0.000 1.171 270 Y CA 1.549 59.685 58.100 0.060 0.000 1.123 270 Y CB -0.775 37.714 38.460 0.048 0.000 0.963 270 Y HN 0.092 nan 8.280 nan 0.000 0.493 271 L N 0.596 121.901 121.223 0.136 0.000 1.990 271 L HA -0.275 4.065 4.340 0.000 0.000 0.213 271 L C 2.316 179.171 176.870 -0.024 0.000 1.072 271 L CA 2.309 57.168 54.840 0.031 0.000 0.755 271 L CB -1.259 40.857 42.059 0.094 0.000 0.889 271 L HN 0.425 nan 8.230 nan 0.000 0.432 272 E N -0.998 119.220 120.200 0.030 0.000 2.058 272 E HA -0.280 4.070 4.350 0.000 0.000 0.194 272 E C 2.136 178.715 176.600 -0.034 0.000 0.997 272 E CA 1.415 57.820 56.400 0.008 0.000 0.801 272 E CB -0.013 29.720 29.700 0.054 0.000 0.746 272 E HN 0.533 nan 8.360 nan 0.000 0.450 273 Q N -0.281 119.503 119.800 -0.025 0.000 2.014 273 Q HA -0.243 4.097 4.340 0.000 0.000 0.207 273 Q C 2.224 178.138 176.000 -0.144 0.000 0.993 273 Q CA 1.632 57.396 55.803 -0.065 0.000 0.850 273 Q CB -0.222 28.478 28.738 -0.064 0.000 0.916 273 Q HN 0.268 nan 8.270 nan 0.000 0.417 274 A N 0.638 123.323 122.820 -0.226 0.000 1.877 274 A HA -0.191 4.129 4.320 0.000 0.000 0.216 274 A C 1.971 179.414 177.584 -0.234 0.000 1.186 274 A CA 1.276 53.161 52.037 -0.254 0.000 0.620 274 A CB -0.744 18.064 19.000 -0.321 0.000 0.822 274 A HN 0.380 nan 8.150 nan 0.000 0.443 275 L N 0.407 121.505 121.223 -0.209 0.000 2.261 275 L HA -0.138 4.202 4.340 0.000 0.000 0.216 275 L C 1.724 178.407 176.870 -0.312 0.000 1.114 275 L CA 2.076 56.759 54.840 -0.263 0.000 0.777 275 L CB -1.143 40.824 42.059 -0.153 0.000 0.910 275 L HN 0.454 nan 8.230 nan 0.000 0.440 276 N N -1.659 116.916 118.700 -0.208 0.000 2.331 276 N HA -0.109 4.631 4.740 0.000 0.000 0.180 276 N C 1.659 177.052 175.510 -0.195 0.000 1.019 276 N CA 1.128 54.076 53.050 -0.170 0.000 0.881 276 N CB 0.126 38.554 38.487 -0.098 0.000 0.972 276 N HN 0.237 nan 8.380 nan 0.000 0.435 277 V N -0.549 119.237 119.914 -0.213 0.000 2.649 277 V HA -0.063 4.057 4.120 0.000 0.000 0.248 277 V C 1.878 177.814 176.094 -0.263 0.000 1.054 277 V CA 0.889 63.074 62.300 -0.192 0.000 1.073 277 V CB -0.142 31.584 31.823 -0.161 0.000 0.699 277 V HN 0.119 nan 8.190 nan 0.000 0.463 278 V N -0.140 119.522 119.914 -0.420 0.000 2.970 278 V HA -0.109 4.011 4.120 0.000 0.000 0.260 278 V C 1.451 177.050 176.094 -0.826 0.000 1.100 278 V CA 1.320 63.232 62.300 -0.647 0.000 1.122 278 V CB -1.234 30.007 31.823 -0.969 0.000 0.721 278 V HN 0.611 nan 8.190 nan 0.000 0.483 279 N N 0.547 118.841 118.700 -0.676 0.000 3.111 279 N HA 0.031 4.771 4.740 0.000 0.000 0.302 279 N C 1.291 176.743 175.510 -0.096 0.000 1.317 279 N CA -0.241 52.564 53.050 -0.409 0.000 1.151 279 N CB -0.193 38.126 38.487 -0.279 0.000 1.456 279 N HN 0.385 nan 8.380 nan 0.000 0.547 280 K N 0.770 121.141 120.400 -0.049 0.000 2.163 280 K HA -0.377 3.943 4.320 0.000 0.000 0.222 280 K C 0.762 177.377 176.600 0.025 0.000 0.990 280 K CA 2.053 58.348 56.287 0.013 0.000 0.959 280 K CB -0.363 32.187 32.500 0.083 0.000 0.882 280 K HN 0.627 nan 8.250 nan 0.000 0.472 294 P HA 0.212 nan 4.420 nan 0.000 0.269 294 P C 0.761 178.126 177.300 0.108 0.000 1.209 294 P CA 0.143 63.288 63.100 0.074 0.000 0.776 294 P CB 1.194 32.929 31.700 0.058 0.000 0.876 295 E N 1.346 121.628 120.200 0.138 0.000 2.219 295 E HA -0.105 4.245 4.350 0.000 0.000 0.198 295 E C 0.509 177.156 176.600 0.079 0.000 0.998 295 E CA 1.046 57.528 56.400 0.137 0.000 0.818 295 E CB -0.102 29.729 29.700 0.218 0.000 0.741 295 E HN 0.494 nan 8.360 nan 0.000 0.477 296 I N 1.275 121.929 120.570 0.140 0.000 2.548 296 I HA 0.169 4.339 4.170 0.000 0.000 0.287 296 I C -2.523 173.649 176.117 0.093 0.000 1.103 296 I CA -2.747 58.599 61.300 0.076 0.000 1.049 296 I CB 2.475 40.550 38.000 0.124 0.000 1.232 296 I HN -0.246 nan 8.210 nan 0.000 0.429 297 P HA -0.057 nan 4.420 nan 0.000 0.255 297 P C 0.430 177.756 177.300 0.044 0.000 1.161 297 P CA -0.002 63.136 63.100 0.063 0.000 0.768 297 P CB 0.438 32.176 31.700 0.065 0.000 0.746 298 R N 2.551 123.071 120.500 0.034 0.000 2.140 298 R HA -0.202 4.138 4.340 0.000 0.000 0.250 298 R C 2.005 178.309 176.300 0.006 0.000 1.150 298 R CA 1.191 57.300 56.100 0.015 0.000 0.966 298 R CB -1.559 28.744 30.300 0.005 0.000 0.869 298 R HN 0.439 nan 8.270 nan 0.000 0.445 299 L N 0.714 121.940 121.223 0.005 0.000 2.017 299 L HA -0.094 4.246 4.340 0.000 0.000 0.208 299 L C 2.378 179.243 176.870 -0.008 0.000 1.073 299 L CA 2.124 56.959 54.840 -0.007 0.000 0.745 299 L CB -0.737 41.319 42.059 -0.005 0.000 0.894 299 L HN 0.192 nan 8.230 nan 0.000 0.432 300 A N -1.198 121.624 122.820 0.003 0.000 1.908 300 A HA -0.169 4.151 4.320 0.000 0.000 0.218 300 A C 2.233 179.817 177.584 -0.000 0.000 1.181 300 A CA 2.141 54.175 52.037 -0.004 0.000 0.627 300 A CB -1.128 17.868 19.000 -0.007 0.000 0.818 300 A HN 0.328 nan 8.150 nan 0.000 0.445 301 V N -0.250 119.676 119.914 0.019 0.000 2.216 301 V HA -0.256 3.864 4.120 0.000 0.000 0.243 301 V C 2.584 178.682 176.094 0.006 0.000 1.044 301 V CA 2.216 64.537 62.300 0.034 0.000 0.995 301 V CB -0.818 31.038 31.823 0.054 0.000 0.633 301 V HN 0.633 nan 8.190 nan 0.000 0.446 302 R N -0.430 120.063 120.500 -0.012 0.000 2.133 302 R HA -0.288 4.052 4.340 0.000 0.000 0.247 302 R C 2.311 178.586 176.300 -0.042 0.000 1.151 302 R CA 2.266 58.344 56.100 -0.036 0.000 0.971 302 R CB -0.226 30.040 30.300 -0.057 0.000 0.866 302 R HN 0.532 nan 8.270 nan 0.000 0.447 303 E N 0.327 120.506 120.200 -0.036 0.000 2.031 303 E HA -0.044 4.306 4.350 0.000 0.000 0.193 303 E C 0.534 177.112 176.600 -0.037 0.000 0.994 303 E CA 1.280 57.654 56.400 -0.042 0.000 0.800 303 E CB -0.348 29.331 29.700 -0.035 0.000 0.752 303 E HN 0.448 nan 8.360 nan 0.000 0.447 307 N N 1.576 120.240 118.700 -0.060 0.000 2.104 307 N HA -0.048 4.692 4.740 0.000 0.000 0.190 307 N C 0.924 176.452 175.510 0.030 0.000 1.024 307 N CA 1.399 54.428 53.050 -0.034 0.000 0.853 307 N CB -0.085 38.352 38.487 -0.083 0.000 1.008 307 N HN 0.406 nan 8.380 nan 0.000 0.424 311 H N 2.316 121.441 119.070 0.091 0.000 2.538 311 H HA 0.254 4.810 4.556 0.000 0.000 0.286 311 H C 0.960 176.297 175.328 0.016 0.000 1.035 311 H CA -0.084 56.006 56.048 0.071 0.000 1.169 311 H CB -0.096 29.686 29.762 0.033 0.000 1.417 311 H HN 0.139 nan 8.280 nan 0.000 0.567 312 R N 0.343 120.868 120.500 0.042 0.000 3.255 312 R HA -0.081 4.259 4.340 0.000 0.000 0.268 312 R C 1.080 177.291 176.300 -0.149 0.000 1.121 312 R CA 0.443 56.398 56.100 -0.243 0.000 1.133 312 R CB 0.340 30.143 30.300 -0.827 0.000 1.038 312 R HN 0.241 nan 8.270 nan 0.000 0.523 313 D N -1.474 118.778 120.400 -0.246 0.000 2.379 313 D HA -0.019 4.621 4.640 0.000 0.000 0.218 313 D C 0.453 176.886 176.300 0.222 0.000 1.006 313 D CA 0.565 54.557 54.000 -0.013 0.000 0.893 313 D CB 0.089 40.833 40.800 -0.095 0.000 1.019 313 D HN 0.626 nan 8.370 nan 0.000 0.503 314 W N 0.726 122.107 121.300 0.135 0.000 2.093 314 W HA -0.288 4.373 4.660 0.000 0.000 0.244 314 W C 1.449 177.996 176.519 0.047 0.000 0.971 314 W CA 0.937 58.326 57.345 0.074 0.000 0.464 314 W CB -1.650 27.814 29.460 0.008 0.000 1.975 314 W HN 0.160 nan 8.180 nan 0.000 1.487 315 N N 0.522 119.381 118.700 0.264 0.000 2.299 315 N HA 0.005 4.746 4.740 0.000 0.000 0.187 315 N C 0.551 176.114 175.510 0.088 0.000 1.099 315 N CA 0.335 53.487 53.050 0.170 0.000 0.867 315 N CB 0.185 38.772 38.487 0.166 0.000 0.974 315 N HN -0.005 nan 8.380 nan 0.000 0.477 316 R N 0.181 120.708 120.500 0.045 0.000 2.643 316 R HA 0.273 4.613 4.340 0.000 0.000 0.272 316 R C 0.881 177.187 176.300 0.011 0.000 0.995 316 R CA -0.358 55.733 56.100 -0.016 0.000 1.032 316 R CB 1.543 31.775 30.300 -0.113 0.000 1.126 316 R HN 0.027 nan 8.270 nan 0.000 0.505 317 S N 0.905 116.611 115.700 0.010 0.000 2.341 317 S HA -0.088 4.382 4.470 0.000 0.000 0.216 317 S C 0.193 174.813 174.600 0.032 0.000 1.034 317 S CA 0.519 58.740 58.200 0.035 0.000 0.964 317 S CB -0.154 63.067 63.200 0.035 0.000 0.882 317 S HN 0.634 nan 8.310 nan 0.000 0.469 318 E N 3.416 123.633 120.200 0.029 0.000 2.820 318 E HA 0.007 4.358 4.350 0.000 0.000 0.251 318 E C -2.821 173.805 176.600 0.043 0.000 0.944 318 E CA -0.954 55.485 56.400 0.064 0.000 0.955 318 E CB -0.684 29.099 29.700 0.138 0.000 0.904 318 E HN 0.149 nan 8.360 nan 0.000 0.513 319 P HA 0.100 nan 4.420 nan 0.000 0.272 319 P C 0.077 177.398 177.300 0.036 0.000 1.240 319 P CA -0.300 62.819 63.100 0.031 0.000 0.791 319 P CB 0.441 32.175 31.700 0.057 0.000 0.978 320 I N 1.249 121.814 120.570 -0.009 0.000 2.598 320 I HA -0.016 4.154 4.170 0.000 0.000 0.284 320 I C 0.727 176.876 176.117 0.054 0.000 1.140 320 I CA 0.510 61.816 61.300 0.011 0.000 1.420 320 I CB -0.118 37.866 38.000 -0.027 0.000 1.387 320 I HN 0.254 nan 8.210 nan 0.000 0.553 321 D N 7.096 127.538 120.400 0.070 0.000 2.396 321 D HA 0.268 4.908 4.640 0.000 0.000 0.225 321 D C -0.951 175.383 176.300 0.057 0.000 1.121 321 D CA -0.172 53.862 54.000 0.056 0.000 0.853 321 D CB 1.335 42.149 40.800 0.024 0.000 1.043 321 D HN 0.191 nan 8.370 nan 0.000 0.500 322 V N 5.790 125.750 119.914 0.076 0.000 2.417 322 V HA 0.667 4.787 4.120 0.000 0.000 0.291 322 V C -1.041 175.137 176.094 0.140 0.000 1.024 322 V CA -0.672 61.685 62.300 0.095 0.000 0.861 322 V CB 1.232 33.110 31.823 0.090 0.000 0.985 322 V HN 0.581 nan 8.190 nan 0.000 0.436 323 R N 6.161 126.771 120.500 0.183 0.000 2.686 323 R HA 0.424 4.764 4.340 0.000 0.000 0.286 323 R C -1.349 175.138 176.300 0.311 0.000 0.969 323 R CA -0.791 55.482 56.100 0.289 0.000 0.898 323 R CB 1.810 32.388 30.300 0.463 0.000 1.183 323 R HN 0.825 nan 8.270 nan 0.000 0.456 324 W N 5.718 127.102 121.300 0.139 0.000 2.471 324 W HA 0.351 5.011 4.660 0.000 0.000 0.318 324 W C -1.280 175.319 176.519 0.133 0.000 1.034 324 W CA -1.179 56.217 57.345 0.085 0.000 1.224 324 W CB 1.200 30.679 29.460 0.031 0.000 1.335 324 W HN 0.427 nan 8.180 nan 0.000 0.452 325 I N 6.335 126.712 120.570 -0.322 0.000 2.256 325 I HA 0.009 4.179 4.170 0.000 0.000 0.294 325 I C 1.468 177.406 176.117 -0.298 0.000 1.127 325 I CA 0.027 61.218 61.300 -0.182 0.000 1.247 325 I CB 0.244 38.112 38.000 -0.219 0.000 1.460 325 I HN 0.506 nan 8.210 nan 0.000 0.511 326 E N 3.835 124.059 120.200 0.041 0.000 2.086 326 E HA -0.231 4.119 4.350 0.000 0.000 0.200 326 E C 1.894 178.523 176.600 0.048 0.000 1.012 326 E CA 1.458 57.962 56.400 0.174 0.000 0.812 326 E CB 0.216 30.063 29.700 0.245 0.000 0.743 326 E HN 0.589 nan 8.360 nan 0.000 0.453 327 L N 0.937 122.170 121.223 0.017 0.000 2.005 327 L HA -0.164 4.176 4.340 0.000 0.000 0.207 327 L C 1.713 178.551 176.870 -0.054 0.000 1.072 327 L CA 0.980 55.819 54.840 -0.002 0.000 0.744 327 L CB -0.259 41.805 42.059 0.009 0.000 0.895 327 L HN 0.032 nan 8.230 nan 0.000 0.433 328 D N -0.085 120.252 120.400 -0.105 0.000 2.324 328 D HA -0.011 4.630 4.640 0.000 0.000 0.235 328 D C 0.506 176.668 176.300 -0.230 0.000 1.095 328 D CA 0.227 54.140 54.000 -0.145 0.000 0.871 328 D CB 0.130 40.837 40.800 -0.156 0.000 0.906 328 D HN 0.098 nan 8.370 nan 0.000 0.522 329 S N 0.438 115.978 115.700 -0.266 0.000 3.378 329 S HA -0.181 4.289 4.470 0.000 0.000 0.365 329 S C 0.370 174.623 174.600 -0.579 0.000 0.951 329 S CA 0.974 58.945 58.200 -0.382 0.000 1.274 329 S CB -1.435 61.660 63.200 -0.176 0.000 0.915 329 S HN 0.534 nan 8.310 nan 0.000 0.513 330 T N 0.172 114.277 114.554 -0.749 0.000 2.900 330 T HA 0.715 5.065 4.350 0.000 0.000 0.295 330 T C -0.844 173.408 174.700 -0.747 0.000 1.044 330 T CA -0.914 60.801 62.100 -0.643 0.000 0.995 330 T CB 1.602 70.218 68.868 -0.420 0.000 1.072 330 T HN 0.425 nan 8.240 nan 0.000 0.473 331 L N 4.762 125.701 121.223 -0.473 0.000 2.365 331 L HA 0.816 5.157 4.340 0.000 0.000 0.273 331 L C -1.569 175.235 176.870 -0.110 0.000 1.000 331 L CA -0.887 53.831 54.840 -0.204 0.000 0.819 331 L CB 1.317 43.409 42.059 0.055 0.000 1.284 331 L HN 0.726 nan 8.230 nan 0.000 0.418 332 I N 5.220 125.766 120.570 -0.040 0.000 2.465 332 I HA 0.428 4.598 4.170 0.000 0.000 0.291 332 I C -0.986 175.139 176.117 0.013 0.000 1.014 332 I CA -0.875 60.401 61.300 -0.040 0.000 1.093 332 I CB 2.169 40.133 38.000 -0.060 0.000 1.267 332 I HN 0.261 nan 8.210 nan 0.000 0.431 333 V N 6.562 126.478 119.914 0.004 0.000 2.325 333 V HA 0.375 4.495 4.120 0.000 0.000 0.280 333 V C 0.083 176.187 176.094 0.017 0.000 1.016 333 V CA -0.623 61.691 62.300 0.022 0.000 0.818 333 V CB 1.192 33.031 31.823 0.026 0.000 1.019 333 V HN 0.640 nan 8.190 nan 0.000 0.434 334 R N 2.415 122.923 120.500 0.014 0.000 2.234 334 R HA 0.551 4.891 4.340 0.000 0.000 0.324 334 R C -0.219 176.162 176.300 0.136 0.000 1.054 334 R CA -0.063 56.053 56.100 0.027 0.000 0.912 334 R CB 1.216 31.439 30.300 -0.128 0.000 1.030 334 R HN 0.598 nan 8.270 nan 0.000 0.455 335 S N 4.981 120.798 115.700 0.195 0.000 2.519 335 S HA 0.370 4.840 4.470 0.000 0.000 0.309 335 S C -2.351 172.305 174.600 0.093 0.000 1.100 335 S CA -1.468 56.802 58.200 0.117 0.000 1.059 335 S CB 1.901 65.107 63.200 0.010 0.000 1.008 335 S HN 0.454 nan 8.310 nan 0.000 0.478 336 P HA 0.319 nan 4.420 nan 0.000 0.265 336 P C 0.293 177.372 177.300 -0.368 0.000 1.193 336 P CA 0.641 63.426 63.100 -0.525 0.000 0.765 336 P CB 0.253 31.718 31.700 -0.393 0.000 0.823 337 G N 1.306 109.846 108.800 -0.434 0.000 2.515 337 G HA2 0.326 4.286 3.960 0.000 0.000 0.686 337 G HA3 0.326 4.286 3.960 0.000 0.000 0.686 337 G C -0.564 174.204 174.900 -0.219 0.000 1.274 337 G CA -0.491 44.459 45.100 -0.250 0.000 0.874 337 G HN 0.734 nan 8.290 nan 0.000 0.631 338 G N -1.303 107.397 108.800 -0.167 0.000 3.175 338 G HA2 0.775 4.735 3.960 0.000 0.000 0.255 338 G HA3 0.775 4.735 3.960 0.000 0.000 0.255 338 G C -0.371 174.466 174.900 -0.105 0.000 1.352 338 G CA -1.167 43.803 45.100 -0.216 0.000 1.037 338 G HN 0.751 nan 8.290 nan 0.000 0.556 339 F N 1.482 121.431 119.950 -0.002 0.000 2.443 339 F HA 0.250 4.777 4.527 0.000 0.000 0.353 339 F C -1.042 174.756 175.800 -0.004 0.000 1.101 339 F CA -1.607 56.394 58.000 0.001 0.000 1.226 339 F CB 1.289 40.294 39.000 0.008 0.000 1.140 339 F HN 0.114 nan 8.300 nan 0.000 0.557 340 P HA -0.006 nan 4.420 nan 0.000 0.258 340 P C -0.331 177.019 177.300 0.083 0.000 1.563 340 P CA 0.038 63.196 63.100 0.096 0.000 1.241 340 P CB -0.137 31.601 31.700 0.064 0.000 1.811 341 A N 3.259 126.129 122.820 0.083 0.000 1.624 341 A HA 0.095 4.415 4.320 0.000 0.000 0.310 341 A C 1.341 178.953 177.584 0.046 0.000 1.077 341 A CA 1.118 53.194 52.037 0.065 0.000 1.314 341 A CB -1.400 17.627 19.000 0.046 0.000 0.857 341 A HN 0.779 nan 8.150 nan 0.000 0.237 342 A N 1.251 124.096 122.820 0.041 0.000 2.369 342 A HA 0.268 4.588 4.320 0.000 0.000 0.207 342 A C 0.114 177.688 177.584 -0.017 0.000 2.758 342 A CA 0.345 52.389 52.037 0.012 0.000 1.508 342 A CB -0.256 18.750 19.000 0.010 0.000 0.717 342 A HN 0.843 nan 8.150 nan 0.000 0.486 343 I N 1.048 121.598 120.570 -0.033 0.000 2.525 343 I HA 0.684 4.854 4.170 0.000 0.000 0.301 343 I C 0.404 176.407 176.117 -0.190 0.000 0.992 343 I CA -0.044 61.167 61.300 -0.149 0.000 1.162 343 I CB 1.289 39.136 38.000 -0.256 0.000 1.332 343 I HN 0.231 nan 8.210 nan 0.000 0.458 344 T N 1.665 116.072 114.554 -0.245 0.000 2.907 344 T HA 0.301 4.651 4.350 0.000 0.000 0.290 344 T C 1.080 175.625 174.700 -0.259 0.000 1.066 344 T CA -0.302 61.711 62.100 -0.145 0.000 1.012 344 T CB 1.412 70.267 68.868 -0.021 0.000 1.184 344 T HN 0.564 nan 8.240 nan 0.000 0.522 345 S N 1.084 116.778 115.700 -0.011 0.000 2.440 345 S HA -0.089 4.381 4.470 0.000 0.000 0.240 345 S C 0.712 175.299 174.600 -0.021 0.000 1.014 345 S CA 1.370 59.599 58.200 0.048 0.000 0.980 345 S CB -0.235 63.069 63.200 0.173 0.000 0.775 345 S HN 0.685 nan 8.310 nan 0.000 0.499 346 E N 0.840 121.018 120.200 -0.037 0.000 2.511 346 E HA 0.299 4.649 4.350 0.000 0.000 0.214 346 E C 0.512 177.070 176.600 -0.070 0.000 1.062 346 E CA -0.161 56.219 56.400 -0.034 0.000 1.213 346 E CB 0.119 29.815 29.700 -0.008 0.000 1.214 346 E HN 0.185 nan 8.360 nan 0.000 0.441 347 N N -0.287 118.339 118.700 -0.123 0.000 1.899 347 N HA -0.051 4.689 4.740 0.000 0.000 0.223 347 N C 1.089 176.498 175.510 -0.169 0.000 1.411 347 N CA 0.625 53.597 53.050 -0.129 0.000 0.737 347 N CB 0.802 39.214 38.487 -0.124 0.000 1.100 347 N HN 0.149 nan 8.380 nan 0.000 0.527 348 V N -0.478 119.302 119.914 -0.223 0.000 2.488 348 V HA 0.012 4.132 4.120 0.000 0.000 0.246 348 V C 2.143 178.141 176.094 -0.161 0.000 1.046 348 V CA 0.861 63.016 62.300 -0.242 0.000 1.053 348 V CB -0.645 31.002 31.823 -0.295 0.000 0.679 348 V HN -0.015 nan 8.190 nan 0.000 0.458 349 L N 2.182 123.310 121.223 -0.160 0.000 2.450 349 L HA -0.027 4.313 4.340 0.000 0.000 0.224 349 L C 2.562 179.374 176.870 -0.097 0.000 1.149 349 L CA 1.955 56.683 54.840 -0.187 0.000 0.816 349 L CB -0.857 41.044 42.059 -0.264 0.000 0.932 349 L HN 0.707 nan 8.230 nan 0.000 0.449 350 S N -2.669 113.003 115.700 -0.048 0.000 2.514 350 S HA 0.084 4.555 4.470 0.000 0.000 0.223 350 S C 0.997 175.662 174.600 0.108 0.000 1.046 350 S CA -0.375 57.855 58.200 0.050 0.000 0.914 350 S CB -0.387 62.824 63.200 0.019 0.000 0.807 350 S HN 0.393 nan 8.310 nan 0.000 0.497 351 N N 1.665 120.374 118.700 0.015 0.000 2.344 351 N HA 0.121 4.861 4.740 0.000 0.000 0.236 351 N C 0.767 176.319 175.510 0.070 0.000 1.279 351 N CA 0.233 53.304 53.050 0.035 0.000 0.882 351 N CB 0.413 38.877 38.487 -0.038 0.000 1.110 351 N HN 0.111 nan 8.380 nan 0.000 0.436 352 R N 0.703 121.268 120.500 0.107 0.000 2.591 352 R HA 0.256 4.596 4.340 0.000 0.000 0.288 352 R C -0.647 175.718 176.300 0.107 0.000 0.947 352 R CA -0.223 55.930 56.100 0.089 0.000 1.085 352 R CB -0.356 29.998 30.300 0.091 0.000 1.618 352 R HN 0.530 nan 8.270 nan 0.000 0.524 353 A N 1.865 124.751 122.820 0.110 0.000 2.404 353 A HA 0.675 4.995 4.320 0.000 0.000 0.273 353 A C 0.290 177.949 177.584 0.125 0.000 1.144 353 A CA 0.010 52.109 52.037 0.104 0.000 0.806 353 A CB 0.314 19.362 19.000 0.080 0.000 1.080 353 A HN 0.250 nan 8.150 nan 0.000 0.509 354 A N 2.200 125.087 122.820 0.110 0.000 2.264 354 A HA 0.599 4.919 4.320 0.000 0.000 0.304 354 A C 1.349 178.884 177.584 -0.082 0.000 1.100 354 A CA -0.233 51.821 52.037 0.027 0.000 0.839 354 A CB 0.401 19.346 19.000 -0.092 0.000 1.121 354 A HN 1.014 nan 8.150 nan 0.000 0.496 355 R N -0.880 119.472 120.500 -0.247 0.000 2.075 355 R HA -0.022 4.318 4.340 0.000 0.000 0.226 355 R C -0.679 175.367 176.300 -0.423 0.000 1.114 355 R CA 1.276 57.152 56.100 -0.373 0.000 0.972 355 R CB -0.148 29.816 30.300 -0.562 0.000 0.869 355 R HN 0.671 nan 8.270 nan 0.000 0.437 356 Y N 0.261 120.523 120.300 -0.062 0.000 2.919 356 Y HA 0.370 4.920 4.550 0.000 0.000 0.341 356 Y C -2.003 173.899 175.900 0.005 0.000 1.045 356 Y CA -3.236 54.853 58.100 -0.018 0.000 1.218 356 Y CB 1.509 39.973 38.460 0.007 0.000 1.137 356 Y HN 0.125 nan 8.280 nan 0.000 0.577 357 P HA -0.273 nan 4.420 nan 0.000 0.216 357 P C 1.518 179.000 177.300 0.303 0.000 1.153 357 P CA 2.446 65.688 63.100 0.237 0.000 0.858 357 P CB 0.437 32.304 31.700 0.277 0.000 0.789 358 A N -0.601 122.359 122.820 0.234 0.000 1.933 358 A HA -0.177 4.143 4.320 0.000 0.000 0.218 358 A C 2.208 179.713 177.584 -0.132 0.000 1.175 358 A CA 1.316 53.286 52.037 -0.111 0.000 0.628 358 A CB -1.607 17.215 19.000 -0.297 0.000 0.814 358 A HN 0.155 nan 8.150 nan 0.000 0.444 359 L N -0.864 120.361 121.223 0.003 0.000 2.044 359 L HA -0.101 4.239 4.340 0.000 0.000 0.205 359 L C 2.842 179.840 176.870 0.214 0.000 1.075 359 L CA 1.678 56.549 54.840 0.052 0.000 0.747 359 L CB -0.794 41.310 42.059 0.076 0.000 0.903 359 L HN 0.427 nan 8.230 nan 0.000 0.435 360 A N -0.018 122.922 122.820 0.199 0.000 1.883 360 A HA -0.330 3.990 4.320 0.000 0.000 0.217 360 A C 1.929 179.651 177.584 0.231 0.000 1.186 360 A CA 2.179 54.340 52.037 0.206 0.000 0.624 360 A CB -0.865 18.210 19.000 0.125 0.000 0.822 360 A HN 0.585 nan 8.150 nan 0.000 0.444 361 D N -0.890 119.640 120.400 0.216 0.000 2.144 361 D HA -0.142 4.498 4.640 0.000 0.000 0.199 361 D C 1.717 178.115 176.300 0.164 0.000 0.984 361 D CA 1.140 55.274 54.000 0.225 0.000 0.834 361 D CB -0.182 40.860 40.800 0.404 0.000 0.955 361 D HN 0.225 nan 8.370 nan 0.000 0.465 362 L N -0.345 120.922 121.223 0.074 0.000 2.079 362 L HA -0.158 4.182 4.340 0.000 0.000 0.210 362 L C 1.700 178.567 176.870 -0.004 0.000 1.081 362 L CA 1.676 56.505 54.840 -0.019 0.000 0.752 362 L CB -0.946 41.032 42.059 -0.134 0.000 0.896 362 L HN 0.178 nan 8.230 nan 0.000 0.433 363 Y N -0.365 119.964 120.300 0.047 0.000 2.242 363 Y HA -0.154 4.396 4.550 0.000 0.000 0.291 363 Y C 2.703 178.645 175.900 0.070 0.000 1.137 363 Y CA 1.515 59.648 58.100 0.055 0.000 1.181 363 Y CB -0.168 38.320 38.460 0.047 0.000 0.989 363 Y HN 0.123 nan 8.280 nan 0.000 0.527 364 R N -0.531 120.095 120.500 0.211 0.000 2.115 364 R HA -0.113 4.227 4.340 0.000 0.000 0.230 364 R C 2.417 178.797 176.300 0.133 0.000 1.111 364 R CA 0.933 57.117 56.100 0.141 0.000 0.976 364 R CB -0.528 29.834 30.300 0.104 0.000 0.870 364 R HN 0.316 nan 8.270 nan 0.000 0.445 365 A N 1.118 124.024 122.820 0.142 0.000 1.933 365 A HA -0.111 4.209 4.320 0.000 0.000 0.218 365 A C 1.907 179.655 177.584 0.274 0.000 1.175 365 A CA 1.026 53.166 52.037 0.171 0.000 0.628 365 A CB -0.224 18.858 19.000 0.137 0.000 0.814 365 A HN 0.089 nan 8.150 nan 0.000 0.444 366 L N -0.914 120.452 121.223 0.239 0.000 2.552 366 L HA 0.105 4.445 4.340 0.000 0.000 0.227 366 L C 1.667 178.710 176.870 0.288 0.000 1.146 366 L CA 1.456 56.508 54.840 0.355 0.000 0.858 366 L CB -1.637 40.548 42.059 0.209 0.000 0.969 366 L HN 0.697 nan 8.230 nan 0.000 0.451 367 G N 0.009 108.916 108.800 0.179 0.000 2.225 367 G HA2 -0.268 3.692 3.960 0.000 0.000 0.264 367 G HA3 -0.268 3.692 3.960 0.000 0.000 0.264 367 G C 0.552 175.495 174.900 0.072 0.000 1.060 367 G CA 0.295 45.453 45.100 0.098 0.000 0.833 367 G HN 0.274 nan 8.290 nan 0.000 0.498 368 L N -0.726 120.553 121.223 0.094 0.000 2.693 368 L HA 0.473 4.813 4.340 0.000 0.000 0.235 368 L C 1.171 178.058 176.870 0.027 0.000 1.127 368 L CA 0.798 55.659 54.840 0.035 0.000 0.914 368 L CB 0.630 42.749 42.059 0.099 0.000 1.193 368 L HN 0.768 nan 8.230 nan 0.000 0.502 369 V N -5.831 114.115 119.914 0.052 0.000 3.178 369 V HA 0.598 4.718 4.120 0.000 0.000 0.302 369 V C -0.646 175.453 176.094 0.009 0.000 1.262 369 V CA -1.354 60.957 62.300 0.019 0.000 1.030 369 V CB 1.697 33.541 31.823 0.034 0.000 1.074 369 V HN -0.049 nan 8.190 nan 0.000 0.438 370 D N 0.537 120.927 120.400 -0.017 0.000 2.289 370 D HA 0.248 4.888 4.640 0.000 0.000 0.266 370 D C 1.176 177.461 176.300 -0.026 0.000 1.243 370 D CA 0.054 54.035 54.000 -0.030 0.000 1.019 370 D CB 0.468 41.236 40.800 -0.054 0.000 1.126 370 D HN 0.809 nan 8.370 nan 0.000 0.541 371 K N -0.954 119.418 120.400 -0.048 0.000 1.991 371 K HA -0.252 4.068 4.320 0.000 0.000 0.212 371 K C 1.242 177.815 176.600 -0.045 0.000 1.049 371 K CA 1.931 58.186 56.287 -0.053 0.000 0.932 371 K CB 0.156 32.605 32.500 -0.085 0.000 0.717 371 K HN 0.374 nan 8.250 nan 0.000 0.441 372 Q N -4.079 115.680 119.800 -0.068 0.000 1.733 372 Q HA 0.039 4.379 4.340 0.000 0.000 0.148 372 Q C 1.325 177.266 176.000 -0.098 0.000 0.586 372 Q CA 0.844 56.614 55.803 -0.055 0.000 0.906 372 Q CB -0.686 28.028 28.738 -0.041 0.000 0.999 372 Q HN 0.213 nan 8.270 nan 0.000 0.234 373 G N 0.903 109.621 108.800 -0.137 0.000 2.422 373 G HA2 -0.082 3.878 3.960 0.000 0.000 0.218 373 G HA3 -0.082 3.878 3.960 0.000 0.000 0.218 373 G C 1.191 175.970 174.900 -0.202 0.000 1.140 373 G CA 1.330 46.328 45.100 -0.170 0.000 0.775 373 G HN 0.267 nan 8.290 nan 0.000 0.545 374 V N 1.812 121.621 119.914 -0.175 0.000 2.370 374 V HA -0.170 3.950 4.120 0.000 0.000 0.252 374 V C 3.070 179.067 176.094 -0.161 0.000 1.068 374 V CA 1.948 64.145 62.300 -0.171 0.000 1.061 374 V CB -1.312 30.439 31.823 -0.120 0.000 0.656 374 V HN 0.411 nan 8.190 nan 0.000 0.455 375 G N -0.316 108.408 108.800 -0.128 0.000 2.552 375 G HA2 -0.261 3.700 3.960 0.000 0.000 0.216 375 G HA3 -0.261 3.700 3.960 0.000 0.000 0.216 375 G C 1.776 176.609 174.900 -0.111 0.000 1.240 375 G CA 1.258 46.295 45.100 -0.104 0.000 0.796 375 G HN 0.370 nan 8.290 nan 0.000 0.568 376 V N 1.089 120.928 119.914 -0.126 0.000 2.332 376 V HA -0.161 3.959 4.120 0.000 0.000 0.248 376 V C 2.527 178.534 176.094 -0.144 0.000 1.055 376 V CA 3.013 65.261 62.300 -0.087 0.000 1.038 376 V CB -0.571 31.185 31.823 -0.112 0.000 0.651 376 V HN 0.350 nan 8.190 nan 0.000 0.450 377 D N -0.357 119.823 120.400 -0.367 0.000 2.123 377 D HA -0.094 4.546 4.640 0.000 0.000 0.196 377 D C 1.636 177.666 176.300 -0.449 0.000 0.992 377 D CA 0.955 54.510 54.000 -0.742 0.000 0.833 377 D CB -0.205 39.935 40.800 -1.100 0.000 0.954 377 D HN 0.502 nan 8.370 nan 0.000 0.455 381 Q N 2.875 122.812 119.800 0.229 0.000 2.045 381 Q HA -0.001 4.339 4.340 0.000 0.000 0.206 381 Q C 1.294 177.358 176.000 0.107 0.000 0.991 381 Q CA 1.714 57.631 55.803 0.189 0.000 0.851 381 Q CB -0.714 28.136 28.738 0.187 0.000 0.911 381 Q HN 0.351 nan 8.270 nan 0.000 0.418 385 A N 1.219 124.099 122.820 0.099 0.000 2.084 385 A HA -0.123 4.197 4.320 0.000 0.000 0.221 385 A C 1.826 179.430 177.584 0.033 0.000 1.161 385 A CA 1.868 53.954 52.037 0.081 0.000 0.653 385 A CB -0.550 18.491 19.000 0.068 0.000 0.802 385 A HN 0.361 nan 8.150 nan 0.000 0.457 386 L N -1.645 119.567 121.223 -0.017 0.000 2.667 386 L HA 0.345 4.685 4.340 0.000 0.000 0.232 386 L C 1.704 178.379 176.870 -0.324 0.000 1.138 386 L CA 0.981 55.728 54.840 -0.154 0.000 0.921 386 L CB -0.064 41.902 42.059 -0.154 0.000 1.180 386 L HN 0.538 nan 8.230 nan 0.000 0.487 387 G N -1.911 106.800 108.800 -0.149 0.000 2.205 387 G HA2 -0.279 3.681 3.960 0.000 0.000 0.261 387 G HA3 -0.279 3.681 3.960 0.000 0.000 0.261 387 G C 0.593 175.439 174.900 -0.089 0.000 0.980 387 G CA 0.159 45.181 45.100 -0.130 0.000 0.632 387 G HN 0.389 nan 8.290 nan 0.000 0.533 388 H N 1.023 120.114 119.070 0.034 0.000 2.639 388 H HA 0.404 4.960 4.556 0.000 0.000 0.373 388 H C 1.399 176.745 175.328 0.029 0.000 1.372 388 H CA 0.515 56.568 56.048 0.010 0.000 1.448 388 H CB 0.310 30.056 29.762 -0.027 0.000 1.544 388 H HN 0.693 nan 8.280 nan 0.000 0.615 389 R N 1.499 122.088 120.500 0.148 0.000 2.459 389 R HA 0.325 4.665 4.340 0.000 0.000 0.281 389 R C -2.519 173.714 176.300 -0.112 0.000 1.050 389 R CA -1.778 54.362 56.100 0.068 0.000 1.055 389 R CB -0.200 30.142 30.300 0.070 0.000 1.045 389 R HN 0.348 nan 8.270 nan 0.000 0.495 390 P HA 0.043 nan 4.420 nan 0.000 0.268 390 P C -2.284 174.732 177.300 -0.472 0.000 1.208 390 P CA -0.927 61.892 63.100 -0.468 0.000 0.777 390 P CB -0.034 31.367 31.700 -0.499 0.000 0.875 391 P HA 0.038 nan 4.420 nan 0.000 0.269 391 P C -0.264 176.829 177.300 -0.345 0.000 1.209 391 P CA 0.299 63.105 63.100 -0.490 0.000 0.776 391 P CB 0.198 31.590 31.700 -0.514 0.000 0.876 392 T N 0.767 115.227 114.554 -0.156 0.000 2.791 392 T HA 0.584 4.935 4.350 0.000 0.000 0.288 392 T C -0.056 174.650 174.700 0.009 0.000 0.999 392 T CA -0.857 61.218 62.100 -0.042 0.000 0.952 392 T CB 0.381 69.228 68.868 -0.035 0.000 0.938 392 T HN 0.459 nan 8.240 nan 0.000 0.444 393 I N 2.330 122.953 120.570 0.089 0.000 2.382 393 I HA 0.656 4.827 4.170 0.000 0.000 0.286 393 I C -0.689 175.548 176.117 0.201 0.000 1.002 393 I CA -0.453 60.927 61.300 0.134 0.000 1.135 393 I CB 1.172 39.278 38.000 0.177 0.000 1.288 393 I HN 0.853 nan 8.210 nan 0.000 0.448 394 E N 6.097 126.379 120.200 0.137 0.000 2.393 394 E HA 0.283 4.633 4.350 0.000 0.000 0.273 394 E C -1.552 175.020 176.600 -0.048 0.000 0.918 394 E CA -0.734 55.744 56.400 0.130 0.000 0.773 394 E CB 2.327 32.077 29.700 0.084 0.000 1.275 394 E HN 0.773 nan 8.360 nan 0.000 0.451 395 E N 3.084 123.195 120.200 -0.149 0.000 2.259 395 E HA 0.274 4.624 4.350 0.000 0.000 0.281 395 E C -0.523 176.018 176.600 -0.098 0.000 1.027 395 E CA -0.539 55.681 56.400 -0.300 0.000 0.838 395 E CB 0.663 30.105 29.700 -0.431 0.000 1.066 395 E HN 0.269 nan 8.360 nan 0.000 0.401 396 I N 2.314 122.855 120.570 -0.047 0.000 2.797 396 I HA 0.315 4.485 4.170 0.000 0.000 0.307 396 I C 0.204 176.359 176.117 0.063 0.000 1.033 396 I CA -1.018 60.289 61.300 0.011 0.000 1.071 396 I CB 1.274 39.275 38.000 0.001 0.000 1.255 396 I HN 0.644 nan 8.210 nan 0.000 0.445 397 A N 2.299 125.152 122.820 0.055 0.000 2.567 397 A HA 0.477 4.797 4.320 0.000 0.000 0.240 397 A C 0.882 178.576 177.584 0.184 0.000 1.053 397 A CA 1.084 53.166 52.037 0.075 0.000 0.755 397 A CB -0.295 18.734 19.000 0.048 0.000 0.978 397 A HN 1.149 nan 8.150 nan 0.000 0.507 398 G N 2.420 111.306 108.800 0.143 0.000 4.399 398 G HA2 0.172 4.133 3.960 0.000 0.000 0.159 398 G HA3 0.172 4.133 3.960 0.000 0.000 0.159 398 G C -1.960 172.908 174.900 -0.053 0.000 1.458 398 G CA 0.329 45.531 45.100 0.170 0.000 0.942 398 G HN 0.848 nan 8.290 nan 0.000 0.306 399 P HA 0.694 nan 4.420 nan 0.000 0.274 399 P C -1.587 175.532 177.300 -0.302 0.000 1.237 399 P CA 0.207 63.228 63.100 -0.133 0.000 0.793 399 P CB 1.419 33.035 31.700 -0.141 0.000 0.977 400 F N -1.222 118.650 119.950 -0.129 0.000 2.693 400 F HA 0.342 4.869 4.527 0.000 0.000 0.309 400 F C -0.796 174.881 175.800 -0.205 0.000 1.129 400 F CA -0.652 57.267 58.000 -0.134 0.000 0.948 400 F CB 2.055 40.998 39.000 -0.094 0.000 1.315 400 F HN -0.022 nan 8.300 nan 0.000 0.447 401 V N 1.686 121.641 119.914 0.068 0.000 2.482 401 V HA 0.450 4.570 4.120 0.000 0.000 0.295 401 V C -1.096 175.004 176.094 0.010 0.000 1.026 401 V CA -0.835 61.411 62.300 -0.089 0.000 0.856 401 V CB 1.643 33.366 31.823 -0.167 0.000 1.001 401 V HN 0.687 nan 8.190 nan 0.000 0.424 402 E N 2.458 122.654 120.200 -0.007 0.000 2.187 402 E HA 0.692 5.042 4.350 0.000 0.000 0.268 402 E C -1.058 175.542 176.600 0.001 0.000 0.896 402 E CA -0.682 55.715 56.400 -0.005 0.000 0.766 402 E CB 2.110 31.788 29.700 -0.037 0.000 1.142 402 E HN 0.475 nan 8.360 nan 0.000 0.408 403 T N 2.721 117.275 114.554 -0.001 0.000 2.771 403 T HA 0.350 4.700 4.350 0.000 0.000 0.281 403 T C -0.515 174.155 174.700 -0.049 0.000 0.982 403 T CA -0.627 61.466 62.100 -0.011 0.000 0.978 403 T CB 1.391 70.259 68.868 -0.001 0.000 0.930 403 T HN 0.455 nan 8.240 nan 0.000 0.447 404 T N 4.268 118.774 114.554 -0.079 0.000 2.779 404 T HA 0.539 4.889 4.350 0.000 0.000 0.280 404 T C -0.685 173.925 174.700 -0.151 0.000 0.987 404 T CA -0.650 61.377 62.100 -0.122 0.000 0.966 404 T CB 0.623 69.408 68.868 -0.140 0.000 0.933 404 T HN 0.182 nan 8.240 nan 0.000 0.442 405 L N 3.926 125.048 121.223 -0.168 0.000 2.325 405 L HA 0.548 4.888 4.340 0.000 0.000 0.281 405 L C -0.468 176.254 176.870 -0.247 0.000 1.004 405 L CA -0.565 54.161 54.840 -0.190 0.000 0.823 405 L CB 1.822 43.793 42.059 -0.147 0.000 1.236 405 L HN 0.424 nan 8.230 nan 0.000 0.415 406 V N 3.596 123.361 119.914 -0.248 0.000 2.313 406 V HA 0.700 4.820 4.120 0.000 0.000 0.278 406 V C 0.624 176.492 176.094 -0.376 0.000 1.017 406 V CA -0.214 61.918 62.300 -0.281 0.000 0.823 406 V CB 0.697 32.397 31.823 -0.205 0.000 1.010 406 V HN 0.879 nan 8.190 nan 0.000 0.443 407 G N 2.721 111.233 108.800 -0.481 0.000 3.374 407 G HA2 0.773 4.733 3.960 0.000 0.000 0.200 407 G HA3 0.773 4.733 3.960 0.000 0.000 0.200 407 G C 0.544 175.152 174.900 -0.486 0.000 1.801 407 G CA 0.361 44.955 45.100 -0.843 0.000 0.842 407 G HN 1.444 nan 8.290 nan 0.000 0.688 408 G N -0.559 108.112 108.800 -0.214 0.000 2.475 408 G HA2 -0.162 3.798 3.960 0.000 0.000 0.223 408 G HA3 -0.162 3.798 3.960 0.000 0.000 0.223 408 G C -0.158 174.846 174.900 0.173 0.000 1.201 408 G CA -0.087 45.016 45.100 0.005 0.000 0.962 408 G HN 0.633 nan 8.290 nan 0.000 0.586 409 R N 2.182 122.773 120.500 0.152 0.000 2.389 409 R HA 0.409 4.749 4.340 0.000 0.000 0.295 409 R C -1.817 174.555 176.300 0.120 0.000 1.075 409 R CA -0.763 55.411 56.100 0.124 0.000 1.005 409 R CB 0.759 31.094 30.300 0.058 0.000 0.987 409 R HN 0.465 nan 8.270 nan 0.000 0.452 410 P HA -0.005 nan 4.420 nan 0.000 0.271 410 P C -0.301 176.923 177.300 -0.127 0.000 1.216 410 P CA -0.302 62.693 63.100 -0.176 0.000 0.776 410 P CB 0.898 32.527 31.700 -0.118 0.000 0.881 411 V N 2.152 121.962 119.914 -0.174 0.000 2.415 411 V HA 0.006 4.126 4.120 0.000 0.000 0.267 411 V C 1.735 177.771 176.094 -0.097 0.000 1.042 411 V CA -0.317 61.913 62.300 -0.117 0.000 1.000 411 V CB -0.170 31.571 31.823 -0.138 0.000 1.015 411 V HN 0.303 nan 8.190 nan 0.000 0.478 412 L N 6.399 127.582 121.223 -0.067 0.000 1.978 412 L HA -0.066 4.274 4.340 0.000 0.000 0.218 412 L C 0.576 177.416 176.870 -0.051 0.000 1.075 412 L CA 2.539 57.350 54.840 -0.048 0.000 0.767 412 L CB -2.634 39.405 42.059 -0.034 0.000 0.890 412 L HN 0.515 nan 8.230 nan 0.000 0.434 413 P HA -0.150 nan 4.420 nan 0.000 0.217 413 P C 2.011 179.274 177.300 -0.063 0.000 1.151 413 P CA 1.436 64.499 63.100 -0.062 0.000 0.849 413 P CB 0.001 31.651 31.700 -0.082 0.000 0.787 414 V N -0.381 119.478 119.914 -0.092 0.000 2.719 414 V HA -0.125 3.995 4.120 0.000 0.000 0.252 414 V C 2.743 178.831 176.094 -0.011 0.000 1.065 414 V CA 1.024 63.285 62.300 -0.064 0.000 1.086 414 V CB -0.936 30.819 31.823 -0.113 0.000 0.700 414 V HN 0.041 nan 8.190 nan 0.000 0.467 415 L N 0.484 121.690 121.223 -0.029 0.000 2.072 415 L HA -0.150 4.190 4.340 0.000 0.000 0.205 415 L C 2.745 179.617 176.870 0.003 0.000 1.079 415 L CA 1.957 56.790 54.840 -0.012 0.000 0.752 415 L CB -0.386 41.659 42.059 -0.023 0.000 0.906 415 L HN 0.551 nan 8.230 nan 0.000 0.436 416 E N -0.286 119.914 120.200 -0.000 0.000 2.216 416 E HA -0.202 4.148 4.350 0.000 0.000 0.192 416 E C 2.260 178.871 176.600 0.019 0.000 0.988 416 E CA 0.396 56.800 56.400 0.007 0.000 0.834 416 E CB -0.319 29.382 29.700 0.001 0.000 0.772 416 E HN 0.318 nan 8.360 nan 0.000 0.479 417 L N 1.848 123.087 121.223 0.027 0.000 2.131 417 L HA -0.091 4.249 4.340 0.000 0.000 0.210 417 L C 2.146 179.050 176.870 0.058 0.000 1.092 417 L CA 1.318 56.189 54.840 0.051 0.000 0.759 417 L CB -0.314 41.795 42.059 0.084 0.000 0.903 417 L HN 0.097 nan 8.230 nan 0.000 0.435 418 V N -0.683 119.264 119.914 0.055 0.000 2.871 418 V HA -0.093 4.027 4.120 0.000 0.000 0.256 418 V C 2.473 178.587 176.094 0.035 0.000 1.082 418 V CA 1.272 63.603 62.300 0.051 0.000 1.105 418 V CB -0.102 31.753 31.823 0.053 0.000 0.713 418 V HN 0.386 nan 8.190 nan 0.000 0.473 419 S N 0.107 115.823 115.700 0.027 0.000 2.489 419 S HA -0.053 4.417 4.470 0.000 0.000 0.228 419 S C 1.896 176.508 174.600 0.020 0.000 0.995 419 S CA 1.010 59.223 58.200 0.021 0.000 0.934 419 S CB 0.007 63.216 63.200 0.015 0.000 0.771 419 S HN 0.603 nan 8.310 nan 0.000 0.522 420 S N 1.069 116.784 115.700 0.024 0.000 2.556 420 S HA 0.283 4.753 4.470 0.000 0.000 0.216 420 S C 0.459 175.073 174.600 0.023 0.000 0.970 420 S CA -0.188 58.025 58.200 0.022 0.000 0.912 420 S CB 0.060 63.274 63.200 0.024 0.000 0.790 420 S HN 0.296 nan 8.310 nan 0.000 0.504 421 I N 2.744 123.329 120.570 0.025 0.000 2.692 421 I HA 0.193 4.363 4.170 0.000 0.000 0.284 421 I C 0.024 176.152 176.117 0.018 0.000 1.159 421 I CA 0.302 61.616 61.300 0.022 0.000 1.423 421 I CB 0.396 38.410 38.000 0.024 0.000 1.380 421 I HN -0.071 nan 8.210 nan 0.000 0.580 422 V N 7.198 127.121 119.914 0.015 0.000 2.851 422 V HA 0.316 4.436 4.120 0.000 0.000 0.307 422 V C -2.283 173.817 176.094 0.011 0.000 1.129 422 V CA -1.355 60.953 62.300 0.013 0.000 0.932 422 V CB 2.530 34.361 31.823 0.013 0.000 1.024 422 V HN 0.617 nan 8.190 nan 0.000 0.426 423 P HA 0.072 nan 4.420 nan 0.000 0.270 423 P C 0.650 177.957 177.300 0.011 0.000 1.223 423 P CA 0.168 63.275 63.100 0.010 0.000 0.785 423 P CB 1.262 32.968 31.700 0.009 0.000 0.923 424 E N 1.686 121.893 120.200 0.011 0.000 2.130 424 E HA -0.232 4.118 4.350 0.000 0.000 0.196 424 E C 1.829 178.437 176.600 0.013 0.000 0.998 424 E CA 1.523 57.930 56.400 0.012 0.000 0.806 424 E CB -0.372 29.334 29.700 0.011 0.000 0.738 424 E HN 0.527 nan 8.360 nan 0.000 0.459 425 A N 0.900 123.727 122.820 0.011 0.000 2.070 425 A HA -0.111 4.209 4.320 0.000 0.000 0.220 425 A C 1.965 179.557 177.584 0.013 0.000 1.159 425 A CA 0.692 52.735 52.037 0.011 0.000 0.656 425 A CB -0.243 18.762 19.000 0.009 0.000 0.800 425 A HN 0.091 nan 8.150 nan 0.000 0.453 426 R N -0.175 120.332 120.500 0.012 0.000 2.236 426 R HA -0.041 4.299 4.340 0.000 0.000 0.208 426 R C 1.968 178.278 176.300 0.016 0.000 1.036 426 R CA 0.836 56.942 56.100 0.010 0.000 1.001 426 R CB -0.397 29.906 30.300 0.005 0.000 0.896 426 R HN 0.761 nan 8.270 nan 0.000 0.464 427 Q N 1.013 120.825 119.800 0.020 0.000 1.985 427 Q HA -0.165 4.176 4.340 0.000 0.000 0.207 427 Q C 0.405 176.426 176.000 0.034 0.000 0.996 427 Q CA 1.654 57.473 55.803 0.027 0.000 0.851 427 Q CB -0.220 28.534 28.738 0.026 0.000 0.921 427 Q HN 0.469 nan 8.270 nan 0.000 0.418 428 D N 0.940 121.360 120.400 0.033 0.000 3.134 428 D HA 0.024 4.664 4.640 0.000 0.000 0.248 428 D C -0.663 175.667 176.300 0.051 0.000 1.273 428 D CA 0.059 54.085 54.000 0.043 0.000 0.904 428 D CB -0.112 40.709 40.800 0.034 0.000 1.089 428 D HN 0.053 nan 8.370 nan 0.000 0.478 429 D N 0.782 121.213 120.400 0.052 0.000 2.392 429 D HA -0.023 4.617 4.640 0.000 0.000 0.228 429 D C 0.862 177.222 176.300 0.099 0.000 1.074 429 D CA -0.816 53.220 54.000 0.061 0.000 0.838 429 D CB 0.962 41.777 40.800 0.025 0.000 1.067 429 D HN 0.228 nan 8.370 nan 0.000 0.511 430 Y N 5.069 125.357 120.300 -0.021 0.000 2.096 430 Y HA -0.382 4.168 4.550 0.000 0.000 0.276 430 Y C 2.059 177.938 175.900 -0.036 0.000 1.209 430 Y CA 1.694 59.779 58.100 -0.025 0.000 1.137 430 Y CB 0.328 38.763 38.460 -0.041 0.000 0.956 430 Y HN 0.428 nan 8.280 nan 0.000 0.506 431 R N 0.047 120.451 120.500 -0.161 0.000 2.088 431 R HA -0.201 4.139 4.340 0.000 0.000 0.232 431 R C 2.180 178.349 176.300 -0.219 0.000 1.136 431 R CA 2.398 58.324 56.100 -0.290 0.000 0.926 431 R CB -0.849 29.347 30.300 -0.173 0.000 0.837 431 R HN 0.580 nan 8.270 nan 0.000 0.429 432 I N -0.621 119.875 120.570 -0.124 0.000 2.335 432 I HA -0.163 4.008 4.170 0.000 0.000 0.251 432 I C 2.250 178.303 176.117 -0.107 0.000 1.129 432 I CA 1.540 62.774 61.300 -0.109 0.000 1.402 432 I CB -0.768 37.196 38.000 -0.061 0.000 1.069 432 I HN 0.057 nan 8.210 nan 0.000 0.424 433 A N 1.709 124.489 122.820 -0.065 0.000 1.865 433 A HA -0.113 4.207 4.320 0.000 0.000 0.217 433 A C 2.316 179.870 177.584 -0.049 0.000 1.191 433 A CA 2.165 54.194 52.037 -0.013 0.000 0.623 433 A CB -0.927 18.116 19.000 0.073 0.000 0.826 433 A HN 0.460 nan 8.150 nan 0.000 0.444 434 I N 0.059 120.543 120.570 -0.143 0.000 2.163 434 I HA -0.194 3.976 4.170 0.000 0.000 0.243 434 I C 2.570 178.613 176.117 -0.123 0.000 1.085 434 I CA 1.286 62.502 61.300 -0.140 0.000 1.347 434 I CB -1.365 36.427 38.000 -0.347 0.000 1.044 434 I HN 0.148 nan 8.210 nan 0.000 0.408 435 V N 0.988 120.787 119.914 -0.191 0.000 2.255 435 V HA -0.276 3.844 4.120 0.000 0.000 0.247 435 V C 2.626 178.564 176.094 -0.260 0.000 1.051 435 V CA 1.586 63.762 62.300 -0.207 0.000 1.018 435 V CB -0.617 31.077 31.823 -0.215 0.000 0.641 435 V HN 0.313 nan 8.190 nan 0.000 0.445 436 L N -1.261 119.771 121.223 -0.320 0.000 1.994 436 L HA -0.233 4.108 4.340 0.000 0.000 0.208 436 L C 2.537 178.777 176.870 -1.050 0.000 1.071 436 L CA 2.307 56.761 54.840 -0.644 0.000 0.745 436 L CB -0.722 40.995 42.059 -0.570 0.000 0.892 436 L HN 0.424 nan 8.230 nan 0.000 0.431 437 Y N 0.516 120.408 120.300 -0.680 0.000 2.207 437 Y HA -0.282 4.268 4.550 0.000 0.000 0.287 437 Y C 2.371 178.149 175.900 -0.203 0.000 1.156 437 Y CA 1.463 59.356 58.100 -0.344 0.000 1.182 437 Y CB -0.112 38.338 38.460 -0.018 0.000 0.979 437 Y HN 0.035 nan 8.280 nan 0.000 0.521 438 L N -0.572 120.551 121.223 -0.166 0.000 2.017 438 L HA -0.251 4.089 4.340 0.000 0.000 0.208 438 L C 2.314 179.046 176.870 -0.229 0.000 1.073 438 L CA 1.354 56.096 54.840 -0.163 0.000 0.745 438 L CB -0.490 41.509 42.059 -0.100 0.000 0.894 438 L HN 0.287 nan 8.230 nan 0.000 0.432 439 L N -1.527 119.537 121.223 -0.266 0.000 2.362 439 L HA -0.173 4.167 4.340 0.000 0.000 0.219 439 L C 2.042 178.877 176.870 -0.058 0.000 1.134 439 L CA 0.471 55.214 54.840 -0.161 0.000 0.807 439 L CB -0.316 41.655 42.059 -0.146 0.000 0.927 439 L HN 0.169 nan 8.230 nan 0.000 0.447 440 F N -0.263 119.584 119.950 -0.172 0.000 2.604 440 F HA -0.101 4.426 4.527 0.000 0.000 0.298 440 F C 2.352 178.020 175.800 -0.220 0.000 1.131 440 F CA 0.513 58.400 58.000 -0.188 0.000 1.457 440 F CB -0.433 38.422 39.000 -0.242 0.000 1.095 440 F HN 0.188 nan 8.300 nan 0.000 0.574 441 Q N 0.009 119.758 119.800 -0.086 0.000 2.525 441 Q HA 0.175 4.515 4.340 0.000 0.000 0.203 441 Q C 0.790 176.770 176.000 -0.032 0.000 0.947 441 Q CA 0.400 56.143 55.803 -0.099 0.000 0.881 441 Q CB 0.016 28.652 28.738 -0.171 0.000 1.049 441 Q HN 0.267 nan 8.270 nan 0.000 0.600 442 R N 1.807 122.281 120.500 -0.043 0.000 2.532 442 R HA 0.206 4.546 4.340 0.000 0.000 0.272 442 R C -1.630 174.708 176.300 0.063 0.000 1.032 442 R CA -1.466 54.635 56.100 0.001 0.000 1.089 442 R CB 0.247 30.491 30.300 -0.092 0.000 1.098 442 R HN 0.055 nan 8.270 nan 0.000 0.526 443 P HA -0.069 nan 4.420 nan 0.000 0.217 443 P C -0.237 177.235 177.300 0.286 0.000 1.154 443 P CA 1.154 64.378 63.100 0.207 0.000 0.841 443 P CB 0.207 32.038 31.700 0.218 0.000 0.790 444 F N -0.429 119.543 119.950 0.037 0.000 2.561 444 F HA 0.764 5.291 4.527 0.000 0.000 0.321 444 F C -0.872 174.969 175.800 0.068 0.000 1.065 444 F CA -2.885 55.152 58.000 0.061 0.000 0.934 444 F CB 0.388 39.424 39.000 0.060 0.000 1.215 444 F HN -0.292 nan 8.300 nan 0.000 0.471 445 I N 1.250 121.800 120.570 -0.033 0.000 2.646 445 I HA 0.685 4.855 4.170 0.000 0.000 0.299 445 I C -0.728 175.408 176.117 0.032 0.000 1.036 445 I CA -0.098 61.117 61.300 -0.141 0.000 1.074 445 I CB 2.271 40.238 38.000 -0.054 0.000 1.258 445 I HN 0.920 nan 8.210 nan 0.000 0.430 446 T N 6.094 120.628 114.554 -0.034 0.000 2.893 446 T HA 0.361 4.711 4.350 0.000 0.000 0.291 446 T C 1.239 176.000 174.700 0.102 0.000 1.028 446 T CA -0.472 61.706 62.100 0.131 0.000 0.995 446 T CB 0.890 69.798 68.868 0.067 0.000 1.051 446 T HN 0.615 nan 8.240 nan 0.000 0.470 447 I N 2.384 123.079 120.570 0.208 0.000 2.229 447 I HA -0.238 3.932 4.170 0.000 0.000 0.250 447 I C 1.527 177.658 176.117 0.025 0.000 1.096 447 I CA 1.943 63.297 61.300 0.089 0.000 1.358 447 I CB 0.148 38.255 38.000 0.177 0.000 1.047 447 I HN 0.694 nan 8.210 nan 0.000 0.422 448 D N 0.018 120.440 120.400 0.038 0.000 2.117 448 D HA -0.145 4.495 4.640 0.000 0.000 0.197 448 D C 2.289 178.577 176.300 -0.020 0.000 0.987 448 D CA 1.441 55.446 54.000 0.009 0.000 0.829 448 D CB -0.231 40.580 40.800 0.017 0.000 0.961 448 D HN 0.294 nan 8.370 nan 0.000 0.460 449 V N 0.817 120.709 119.914 -0.038 0.000 2.307 449 V HA -0.198 3.922 4.120 0.000 0.000 0.245 449 V C 2.719 178.773 176.094 -0.067 0.000 1.045 449 V CA 0.984 63.247 62.300 -0.063 0.000 1.024 449 V CB -0.531 31.227 31.823 -0.108 0.000 0.651 449 V HN 0.041 nan 8.190 nan 0.000 0.449 450 V N 0.514 120.379 119.914 -0.083 0.000 2.380 450 V HA -0.308 3.813 4.120 0.000 0.000 0.251 450 V C 2.665 178.700 176.094 -0.099 0.000 1.063 450 V CA 2.122 64.355 62.300 -0.112 0.000 1.055 450 V CB -1.224 30.506 31.823 -0.155 0.000 0.657 450 V HN 0.571 nan 8.190 nan 0.000 0.455 451 A N -0.042 122.734 122.820 -0.072 0.000 1.872 451 A HA -0.210 4.110 4.320 0.000 0.000 0.214 451 A C 2.398 179.951 177.584 -0.052 0.000 1.187 451 A CA 1.797 53.798 52.037 -0.060 0.000 0.614 451 A CB -0.517 18.460 19.000 -0.039 0.000 0.826 451 A HN 0.473 nan 8.150 nan 0.000 0.442 452 R N -0.524 119.951 120.500 -0.042 0.000 2.148 452 R HA -0.073 4.267 4.340 0.000 0.000 0.227 452 R C 2.101 178.383 176.300 -0.030 0.000 1.103 452 R CA 1.324 57.405 56.100 -0.032 0.000 0.983 452 R CB -0.496 29.791 30.300 -0.023 0.000 0.874 452 R HN 0.476 nan 8.270 nan 0.000 0.451 453 G N 0.472 109.248 108.800 -0.039 0.000 2.394 453 G HA2 -0.174 3.786 3.960 0.000 0.000 0.214 453 G HA3 -0.174 3.786 3.960 0.000 0.000 0.214 453 G C 1.319 176.185 174.900 -0.057 0.000 1.176 453 G CA 0.329 45.412 45.100 -0.029 0.000 0.786 453 G HN 0.237 nan 8.290 nan 0.000 0.533 454 L N -0.291 120.879 121.223 -0.089 0.000 2.376 454 L HA 0.047 4.387 4.340 0.000 0.000 0.219 454 L C 1.262 178.106 176.870 -0.042 0.000 1.133 454 L CA 0.543 55.329 54.840 -0.091 0.000 0.816 454 L CB -0.269 41.721 42.059 -0.116 0.000 0.933 454 L HN 0.342 nan 8.230 nan 0.000 0.449 455 Q N -0.606 119.166 119.800 -0.047 0.000 2.502 455 Q HA -0.192 4.148 4.340 0.000 0.000 0.273 455 Q C 0.162 176.140 176.000 -0.037 0.000 1.127 455 Q CA 0.648 56.425 55.803 -0.043 0.000 0.952 455 Q CB -1.877 26.829 28.738 -0.054 0.000 1.333 455 Q HN 0.451 nan 8.270 nan 0.000 0.494 456 S N -1.599 114.080 115.700 -0.035 0.000 2.745 456 S HA 0.810 5.280 4.470 0.000 0.000 0.306 456 S C 0.329 174.901 174.600 -0.046 0.000 1.137 456 S CA -0.055 58.125 58.200 -0.033 0.000 0.900 456 S CB 1.820 65.023 63.200 0.005 0.000 1.176 456 S HN 0.411 nan 8.310 nan 0.000 0.520 457 G N 0.843 109.609 108.800 -0.056 0.000 2.636 457 G HA2 0.220 4.180 3.960 0.000 0.000 0.246 457 G HA3 0.220 4.180 3.960 0.000 0.000 0.246 457 G C 0.412 175.295 174.900 -0.029 0.000 1.216 457 G CA -0.306 44.766 45.100 -0.048 0.000 0.854 457 G HN 0.821 nan 8.290 nan 0.000 0.572 458 K N -0.156 120.235 120.400 -0.016 0.000 2.362 458 K HA -0.105 4.215 4.320 0.000 0.000 0.202 458 K C 2.010 178.613 176.600 0.006 0.000 1.045 458 K CA 0.971 57.257 56.287 -0.001 0.000 0.936 458 K CB 0.151 32.660 32.500 0.016 0.000 0.747 458 K HN 0.420 nan 8.250 nan 0.000 0.467 459 E N 0.703 120.907 120.200 0.007 0.000 2.016 459 E HA -0.086 4.264 4.350 0.000 0.000 0.190 459 E C 2.102 178.700 176.600 -0.003 0.000 0.985 459 E CA 1.062 57.476 56.400 0.024 0.000 0.802 459 E CB -0.242 29.470 29.700 0.020 0.000 0.762 459 E HN 0.262 nan 8.360 nan 0.000 0.448 460 A N 1.373 124.179 122.820 -0.023 0.000 2.024 460 A HA -0.145 4.175 4.320 0.000 0.000 0.220 460 A C 2.326 179.873 177.584 -0.062 0.000 1.164 460 A CA 2.093 54.109 52.037 -0.034 0.000 0.643 460 A CB -0.470 18.520 19.000 -0.016 0.000 0.806 460 A HN 0.262 nan 8.150 nan 0.000 0.451 461 A N -0.328 122.454 122.820 -0.064 0.000 1.872 461 A HA -0.086 4.234 4.320 0.000 0.000 0.214 461 A C 2.201 179.708 177.584 -0.129 0.000 1.187 461 A CA 1.654 53.630 52.037 -0.101 0.000 0.614 461 A CB -0.453 18.501 19.000 -0.077 0.000 0.826 461 A HN 0.508 nan 8.150 nan 0.000 0.442 462 R N 0.036 120.490 120.500 -0.076 0.000 2.091 462 R HA -0.202 4.138 4.340 0.000 0.000 0.238 462 R C 2.118 178.364 176.300 -0.090 0.000 1.136 462 R CA 1.920 57.973 56.100 -0.077 0.000 0.959 462 R CB -0.420 29.890 30.300 0.017 0.000 0.856 462 R HN 0.671 nan 8.270 nan 0.000 0.437 463 N N -0.024 118.647 118.700 -0.048 0.000 2.043 463 N HA -0.175 4.565 4.740 0.000 0.000 0.193 463 N C 1.582 177.037 175.510 -0.092 0.000 1.037 463 N CA 2.118 55.146 53.050 -0.036 0.000 0.851 463 N CB -0.327 38.149 38.487 -0.019 0.000 1.027 463 N HN 0.306 nan 8.380 nan 0.000 0.422 464 A N 0.577 123.319 122.820 -0.129 0.000 1.883 464 A HA -0.115 4.205 4.320 0.000 0.000 0.217 464 A C 2.411 179.861 177.584 -0.224 0.000 1.186 464 A CA 1.466 53.399 52.037 -0.173 0.000 0.624 464 A CB -1.083 17.794 19.000 -0.205 0.000 0.822 464 A HN 0.408 nan 8.150 nan 0.000 0.444 465 L N -0.763 120.275 121.223 -0.308 0.000 2.012 465 L HA -0.209 4.131 4.340 0.000 0.000 0.210 465 L C 2.792 179.449 176.870 -0.354 0.000 1.073 465 L CA 1.522 56.072 54.840 -0.483 0.000 0.748 465 L CB -0.532 41.010 42.059 -0.862 0.000 0.891 465 L HN 0.355 nan 8.230 nan 0.000 0.431 466 E N 0.076 120.141 120.200 -0.225 0.000 2.038 466 E HA -0.253 4.097 4.350 0.000 0.000 0.195 466 E C 2.284 178.836 176.600 -0.080 0.000 1.000 466 E CA 1.482 57.820 56.400 -0.103 0.000 0.803 466 E CB -0.374 29.305 29.700 -0.035 0.000 0.750 466 E HN 0.476 nan 8.360 nan 0.000 0.448 467 A N 1.597 124.367 122.820 -0.083 0.000 1.884 467 A HA -0.246 4.074 4.320 0.000 0.000 0.219 467 A C 2.453 179.996 177.584 -0.069 0.000 1.197 467 A CA 2.919 54.919 52.037 -0.062 0.000 0.637 467 A CB -0.854 18.107 19.000 -0.066 0.000 0.827 467 A HN 0.312 nan 8.150 nan 0.000 0.450 468 A N -0.879 121.875 122.820 -0.110 0.000 1.877 468 A HA -0.171 4.149 4.320 0.000 0.000 0.216 468 A C 2.262 179.804 177.584 -0.070 0.000 1.186 468 A CA 1.720 53.696 52.037 -0.102 0.000 0.620 468 A CB -0.579 18.329 19.000 -0.153 0.000 0.822 468 A HN 0.536 nan 8.150 nan 0.000 0.443 469 R N -0.334 120.116 120.500 -0.083 0.000 2.139 469 R HA -0.193 4.147 4.340 0.000 0.000 0.243 469 R C 1.686 177.995 176.300 0.015 0.000 1.145 469 R CA 1.933 58.027 56.100 -0.010 0.000 0.976 469 R CB -0.209 30.105 30.300 0.023 0.000 0.866 469 R HN 0.701 nan 8.270 nan 0.000 0.449 470 Q N -0.670 119.129 119.800 -0.001 0.000 2.360 470 Q HA 0.071 4.411 4.340 0.000 0.000 0.202 470 Q C -0.404 175.599 176.000 0.005 0.000 0.915 470 Q CA 0.200 56.008 55.803 0.010 0.000 0.943 470 Q CB 1.153 29.897 28.738 0.009 0.000 1.064 470 Q HN 0.126 nan 8.270 nan 0.000 0.511 471 T N 1.493 116.045 114.554 -0.003 0.000 2.837 471 T HA 0.321 4.671 4.350 0.000 0.000 0.285 471 T C 0.089 174.793 174.700 0.007 0.000 0.984 471 T CA -0.439 61.660 62.100 -0.001 0.000 1.049 471 T CB 1.385 70.246 68.868 -0.012 0.000 0.947 471 T HN 0.158 nan 8.240 nan 0.000 0.472 472 T N -0.538 114.023 114.554 0.012 0.000 2.885 472 T HA 0.730 5.080 4.350 0.000 0.000 0.285 472 T C -0.692 174.019 174.700 0.018 0.000 1.019 472 T CA -0.887 61.223 62.100 0.017 0.000 1.010 472 T CB 1.696 70.575 68.868 0.018 0.000 1.022 472 T HN 0.480 nan 8.240 nan 0.000 0.466 473 V N 2.208 122.135 119.914 0.022 0.000 2.577 473 V HA 0.650 4.770 4.120 0.000 0.000 0.303 473 V C 0.491 176.599 176.094 0.024 0.000 1.042 473 V CA 0.310 62.624 62.300 0.025 0.000 0.872 473 V CB 0.483 32.326 31.823 0.032 0.000 0.998 473 V HN 2.206 nan 8.190 nan 0.000 0.423 474 A N 4.561 127.394 122.820 0.021 0.000 2.860 474 A HA 0.066 4.386 4.320 0.000 0.000 0.267 474 A C 2.016 179.610 177.584 0.017 0.000 1.421 474 A CA 1.776 53.824 52.037 0.018 0.000 0.831 474 A CB -1.888 17.123 19.000 0.020 0.000 1.041 474 A HN 2.978 nan 8.150 nan 0.000 0.623 475 G N -3.409 105.401 108.800 0.017 0.000 2.199 475 G HA2 0.263 4.223 3.960 0.000 0.000 0.254 475 G HA3 0.263 4.223 3.960 0.000 0.000 0.254 475 G C 0.704 175.615 174.900 0.019 0.000 0.982 475 G CA 1.267 46.376 45.100 0.016 0.000 0.632 475 G HN 2.627 nan 8.290 nan 0.000 0.529 476 A N 0.626 123.459 122.820 0.021 0.000 2.380 476 A HA 0.907 5.227 4.320 0.000 0.000 0.315 476 A C -2.536 175.065 177.584 0.028 0.000 1.101 476 A CA -1.411 50.641 52.037 0.025 0.000 0.771 476 A CB 1.976 20.991 19.000 0.025 0.000 1.287 476 A HN 0.176 nan 8.150 nan 0.000 0.436 477 P HA 0.111 nan 4.420 nan 0.000 0.271 477 P C 0.894 178.215 177.300 0.036 0.000 1.216 477 P CA -0.086 63.035 63.100 0.036 0.000 0.771 477 P CB 0.808 32.537 31.700 0.049 0.000 0.864 478 L N 2.805 124.042 121.223 0.023 0.000 1.997 478 L HA -0.160 4.180 4.340 0.000 0.000 0.216 478 L C 1.514 178.400 176.870 0.027 0.000 1.074 478 L CA 1.887 56.736 54.840 0.015 0.000 0.763 478 L CB -0.464 41.587 42.059 -0.014 0.000 0.890 478 L HN 0.459 nan 8.230 nan 0.000 0.434 479 I N -3.604 116.991 120.570 0.041 0.000 2.910 479 I HA 0.461 4.631 4.170 0.000 0.000 0.310 479 I C -0.655 175.565 176.117 0.171 0.000 1.043 479 I CA -0.908 60.451 61.300 0.098 0.000 1.053 479 I CB 2.334 40.381 38.000 0.078 0.000 1.242 479 I HN -0.253 nan 8.210 nan 0.000 0.452 480 I N 2.391 123.098 120.570 0.229 0.000 2.689 480 I HA 0.508 4.678 4.170 0.000 0.000 0.299 480 I C 0.011 176.272 176.117 0.239 0.000 1.059 480 I CA -0.846 60.577 61.300 0.205 0.000 1.055 480 I CB 2.008 40.073 38.000 0.108 0.000 1.243 480 I HN 0.830 nan 8.210 nan 0.000 0.425 481 A N 4.301 127.186 122.820 0.108 0.000 2.341 481 A HA 0.491 4.811 4.320 0.000 0.000 0.326 481 A C -0.800 176.735 177.584 -0.082 0.000 1.402 481 A CA -0.149 51.768 52.037 -0.200 0.000 0.957 481 A CB -0.433 18.391 19.000 -0.293 0.000 1.151 481 A HN 0.733 nan 8.150 nan 0.000 0.533 482 H N 2.061 121.025 119.070 -0.178 0.000 2.469 482 H HA 0.474 5.030 4.556 0.000 0.000 0.342 482 H C 0.221 175.459 175.328 -0.150 0.000 1.115 482 H CA 0.329 56.307 56.048 -0.117 0.000 1.204 482 H CB 0.806 30.535 29.762 -0.055 0.000 1.492 482 H HN 0.876 nan 8.280 nan 0.000 0.499 483 D N 2.004 122.139 120.400 -0.442 0.000 3.321 483 D HA -0.218 4.422 4.640 0.000 0.000 0.178 483 D C 1.266 177.417 176.300 -0.249 0.000 1.208 483 D CA 1.998 55.809 54.000 -0.315 0.000 1.074 483 D CB -0.986 39.674 40.800 -0.233 0.000 0.560 483 D HN 0.748 nan 8.370 nan 0.000 0.618 484 G N -0.394 108.293 108.800 -0.188 0.000 3.189 484 G HA2 0.432 4.392 3.960 0.000 0.000 0.225 484 G HA3 0.432 4.392 3.960 0.000 0.000 0.225 484 G C 0.591 175.359 174.900 -0.220 0.000 1.159 484 G CA 0.731 45.711 45.100 -0.199 0.000 0.763 484 G HN 0.551 nan 8.290 nan 0.000 0.549 485 V N -5.085 114.732 119.914 -0.162 0.000 3.234 485 V HA 0.759 4.879 4.120 0.000 0.000 0.317 485 V C -0.861 175.141 176.094 -0.153 0.000 1.147 485 V CA -1.966 60.325 62.300 -0.015 0.000 1.037 485 V CB 1.707 33.706 31.823 0.294 0.000 1.148 485 V HN 0.112 nan 8.190 nan 0.000 0.455 486 W N 1.247 122.624 121.300 0.129 0.000 2.538 486 W HA 0.726 5.386 4.660 0.000 0.000 0.322 486 W C -0.959 175.618 176.519 0.097 0.000 1.028 486 W CA -0.584 56.813 57.345 0.086 0.000 1.228 486 W CB 1.774 31.253 29.460 0.033 0.000 1.356 486 W HN 0.587 nan 8.180 nan 0.000 0.452 487 L N 3.318 124.713 121.223 0.286 0.000 2.331 487 L HA 0.509 4.849 4.340 0.000 0.000 0.268 487 L C -0.172 176.787 176.870 0.148 0.000 1.015 487 L CA -1.402 53.554 54.840 0.193 0.000 0.807 487 L CB 0.979 43.112 42.059 0.123 0.000 1.293 487 L HN 0.078 nan 8.230 nan 0.000 0.451 488 L N 0.485 121.767 121.223 0.098 0.000 2.375 488 L HA 0.506 4.847 4.340 0.000 0.000 0.271 488 L C 0.460 177.366 176.870 0.060 0.000 1.107 488 L CA 0.161 55.042 54.840 0.068 0.000 0.806 488 L CB 1.269 43.364 42.059 0.059 0.000 1.146 488 L HN 0.566 nan 8.230 nan 0.000 0.447 489 G N 2.742 111.574 108.800 0.054 0.000 2.441 489 G HA2 0.006 3.966 3.960 0.000 0.000 0.243 489 G HA3 0.006 3.966 3.960 0.000 0.000 0.243 489 G C 0.586 175.507 174.900 0.036 0.000 1.281 489 G CA -0.155 44.971 45.100 0.043 0.000 0.854 489 G HN 0.935 nan 8.290 nan 0.000 0.560 490 N N 1.030 119.744 118.700 0.022 0.000 2.513 490 N HA -0.126 4.614 4.740 0.000 0.000 0.187 490 N C 2.232 177.755 175.510 0.022 0.000 1.056 490 N CA 0.654 53.714 53.050 0.017 0.000 0.907 490 N CB 0.111 38.601 38.487 0.004 0.000 0.954 490 N HN 0.556 nan 8.380 nan 0.000 0.445 491 A N -0.429 122.407 122.820 0.027 0.000 2.132 491 A HA 0.018 4.338 4.320 0.000 0.000 0.213 491 A C 2.135 179.741 177.584 0.037 0.000 1.154 491 A CA 0.320 52.374 52.037 0.027 0.000 0.753 491 A CB -0.137 18.878 19.000 0.026 0.000 0.826 491 A HN 0.395 nan 8.150 nan 0.000 0.469 492 C N -1.011 118.320 119.300 0.051 0.000 2.504 492 C HA 0.095 4.555 4.460 0.000 0.000 0.279 492 C C 2.693 177.731 174.990 0.080 0.000 1.358 492 C CA 0.469 59.533 59.018 0.077 0.000 1.747 492 C CB -1.058 26.741 27.740 0.099 0.000 2.037 492 C HN 0.620 nan 8.230 nan 0.000 0.503 493 R N 1.045 121.582 120.500 0.063 0.000 2.115 493 R HA -0.067 4.273 4.340 0.000 0.000 0.226 493 R C 2.089 178.404 176.300 0.025 0.000 1.100 493 R CA 0.916 57.045 56.100 0.049 0.000 0.980 493 R CB -0.201 30.123 30.300 0.040 0.000 0.875 493 R HN 0.549 nan 8.270 nan 0.000 0.445 494 E N 0.926 121.139 120.200 0.021 0.000 2.051 494 E HA -0.173 4.177 4.350 0.000 0.000 0.192 494 E C 2.057 178.660 176.600 0.005 0.000 0.991 494 E CA 1.040 57.447 56.400 0.011 0.000 0.799 494 E CB -0.133 29.574 29.700 0.011 0.000 0.748 494 E HN 0.264 nan 8.360 nan 0.000 0.449 495 I N 0.927 121.504 120.570 0.012 0.000 2.264 495 I HA -0.185 3.985 4.170 0.000 0.000 0.248 495 I C 1.363 177.470 176.117 -0.017 0.000 1.111 495 I CA 0.688 61.990 61.300 0.003 0.000 1.382 495 I CB -1.122 36.888 38.000 0.017 0.000 1.060 495 I HN -0.009 nan 8.210 nan 0.000 0.418 496 L N 0.000 121.210 121.223 -0.021 0.000 2.949 496 L HA 0.000 4.340 4.340 0.000 0.000 0.249 496 L CA 0.000 54.804 54.840 -0.060 0.000 0.813 496 L CB 0.000 42.012 42.059 -0.079 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502