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 1kwg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGVCYYPEH WPKERWKEDA RRMREAGLSH VRIGEFAWAL LEPEPGRLEW DATA SEQUENCE GWLDEAIATL AAEGLKVVLG TPTATPPKWL VDRYPEILPV DREGRRRRFG DATA SEQUENCE GRRHYCFSSP VYREEARRIV TLLAERYGGL EAVAGFQTDN EYGCHDTVRC DATA SEQUENCE YCPRCQEAFR GWLEARYGTI EALNEAWGTA FWSQRYRSFA EVELPHLTVA DATA SEQUENCE EPNPSHLLDY YRFASDQVRA FNRLQVEILR AHAPGKFVTH NFMGFFTDLD DATA SEQUENCE AFALAQDLDF ASWDSYPLGF TDLMPLPPEE KLRYARTGHP DVAAFHHDLY DATA SEQUENCE RGVGRGRFWV MEQQPGPVNW APHNPSPAPG MVRLWTWEAL AHGAEVVSYF DATA SEQUENCE RWRQAPFAQE QMHAGLHRPD SAPDQGFFEA KRVAEELAAL ALPPVAQAPV DATA SEQUENCE ALVFDYEAAW IYEVQPQGAE WSYLGLVYLF YSALRRLGLD VDVVPPGASL DATA SEQUENCE RGYAFAVVPS LPIVREEALE AFREAEGPVL FGPRSGSKTE TFQIPKELPP DATA SEQUENCE GPLQALLPLK VVRVESLPPG LLEVAEGALG RFPLGLWREW VEAPLKPLLT DATA SEQUENCE FQDGKGALYR EGRYLYLAAW PSPELAGRLL SALAAEAGLK VLSLPEGLRL DATA SEQUENCE RRRGTWVFAF NYGPEAVEAP ASEGARFLLG SRRVGPYDLA VWEE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.128 176.300 -0.286 0.000 1.140 1 M CA 0.000 55.161 55.300 -0.232 0.000 0.988 1 M CB 0.000 32.463 32.600 -0.229 0.000 1.302 2 L N 1.242 122.360 121.223 -0.175 0.000 2.342 2 L HA 1.061 5.411 4.340 0.017 0.000 0.271 2 L C 0.371 177.204 176.870 -0.061 0.000 1.008 2 L CA -0.669 54.084 54.840 -0.146 0.000 0.818 2 L CB 2.094 44.138 42.059 -0.024 0.000 1.296 2 L HN 0.902 nan 8.230 nan 0.000 0.427 3 G N 0.530 109.296 108.800 -0.058 0.000 3.022 3 G HA2 0.703 4.673 3.960 0.017 0.000 0.284 3 G HA3 0.703 4.673 3.960 0.017 0.000 0.284 3 G C -1.919 173.066 174.900 0.142 0.000 1.375 3 G CA -0.540 44.583 45.100 0.039 0.000 0.902 3 G HN 0.420 nan 8.290 nan 0.000 0.538 4 V N -1.644 118.359 119.914 0.148 0.000 3.120 4 V HA 0.511 4.641 4.120 0.017 0.000 0.303 4 V C -1.078 175.122 176.094 0.177 0.000 1.238 4 V CA -0.765 61.678 62.300 0.238 0.000 1.008 4 V CB 1.729 33.749 31.823 0.329 0.000 1.064 4 V HN 1.014 nan 8.190 nan 0.000 0.434 5 C N 5.541 124.980 119.300 0.233 0.000 2.325 5 C HA 0.666 5.136 4.460 0.017 0.000 0.347 5 C C -0.587 174.480 174.990 0.127 0.000 1.263 5 C CA -0.502 58.614 59.018 0.164 0.000 1.806 5 C CB -0.190 27.776 27.740 0.377 0.000 2.405 5 C HN 0.756 nan 8.230 nan 0.000 0.537 6 Y N 2.037 122.152 120.300 -0.308 0.000 2.499 6 Y HA 0.598 5.159 4.550 0.017 0.000 0.347 6 Y C -1.232 174.262 175.900 -0.676 0.000 0.987 6 Y CA -1.510 56.429 58.100 -0.268 0.000 1.044 6 Y CB 0.994 39.313 38.460 -0.234 0.000 1.245 6 Y HN 0.704 nan 8.280 nan 0.000 0.461 7 Y N 6.913 126.965 120.300 -0.414 0.000 2.787 7 Y HA 0.322 4.882 4.550 0.017 0.000 0.352 7 Y C -1.882 173.589 175.900 -0.714 0.000 1.027 7 Y CA -2.364 55.387 58.100 -0.581 0.000 1.219 7 Y CB 0.792 38.791 38.460 -0.768 0.000 1.110 7 Y HN 0.474 nan 8.280 nan 0.000 0.614 8 P HA -0.245 nan 4.420 nan 0.000 0.218 8 P C 1.012 178.344 177.300 0.053 0.000 1.148 8 P CA 1.638 64.357 63.100 -0.634 0.000 0.822 8 P CB 0.432 31.433 31.700 -1.165 0.000 0.784 9 E N -0.013 120.131 120.200 -0.093 0.000 2.516 9 E HA -0.185 4.175 4.350 0.017 0.000 0.199 9 E C 0.993 177.613 176.600 0.034 0.000 1.069 9 E CA 0.840 57.161 56.400 -0.131 0.000 0.876 9 E CB -1.107 28.354 29.700 -0.398 0.000 0.843 9 E HN 0.526 nan 8.360 nan 0.000 0.530 10 H N -1.537 117.420 119.070 -0.189 0.000 2.622 10 H HA 0.196 4.762 4.556 0.017 0.000 0.269 10 H C -0.341 174.646 175.328 -0.569 0.000 0.977 10 H CA -0.380 55.418 56.048 -0.416 0.000 1.179 10 H CB 0.313 29.612 29.762 -0.770 0.000 1.458 10 H HN 0.092 nan 8.280 nan 0.000 0.531 11 W N 0.836 122.383 121.300 0.411 0.000 2.882 11 W HA 0.376 5.047 4.660 0.018 0.000 0.345 11 W C -2.566 174.125 176.519 0.287 0.000 1.125 11 W CA -2.679 54.884 57.345 0.363 0.000 1.167 11 W CB 0.246 29.952 29.460 0.410 0.000 1.431 11 W HN -0.215 nan 8.180 nan 0.000 0.543 12 P HA 0.042 nan 4.420 nan 0.000 0.268 12 P C 0.629 177.841 177.300 -0.146 0.000 1.205 12 P CA 0.018 63.181 63.100 0.105 0.000 0.771 12 P CB 0.814 32.576 31.700 0.103 0.000 0.858 13 K N 1.761 121.846 120.400 -0.525 0.000 2.160 13 K HA -0.221 4.109 4.320 0.017 0.000 0.206 13 K C 1.298 177.507 176.600 -0.651 0.000 1.047 13 K CA 1.624 57.159 56.287 -1.253 0.000 0.930 13 K CB -0.110 31.799 32.500 -0.985 0.000 0.720 13 K HN 0.469 nan 8.250 nan 0.000 0.450 14 E N 0.231 120.268 120.200 -0.270 0.000 2.331 14 E HA -0.170 4.190 4.350 0.017 0.000 0.199 14 E C 1.673 178.271 176.600 -0.003 0.000 1.008 14 E CA 0.890 57.231 56.400 -0.099 0.000 0.843 14 E CB 0.004 29.676 29.700 -0.046 0.000 0.761 14 E HN 0.074 nan 8.360 nan 0.000 0.507 15 R N -0.912 119.619 120.500 0.052 0.000 2.210 15 R HA 0.019 4.369 4.340 0.017 0.000 0.203 15 R C 1.080 177.580 176.300 0.333 0.000 1.010 15 R CA 0.499 56.706 56.100 0.179 0.000 1.008 15 R CB -0.169 30.270 30.300 0.231 0.000 0.923 15 R HN 0.163 nan 8.270 nan 0.000 0.469 16 W N 1.266 122.662 121.300 0.159 0.000 2.317 16 W HA -0.155 4.514 4.660 0.016 0.000 0.318 16 W C 1.597 178.143 176.519 0.044 0.000 1.227 16 W CA 1.116 58.562 57.345 0.167 0.000 1.269 16 W CB -0.911 28.665 29.460 0.193 0.000 1.155 16 W HN 0.122 nan 8.180 nan 0.000 0.484 17 K N -0.072 120.490 120.400 0.269 0.000 2.103 17 K HA -0.223 4.107 4.320 0.017 0.000 0.207 17 K C 1.904 178.539 176.600 0.057 0.000 1.048 17 K CA 1.789 58.151 56.287 0.126 0.000 0.930 17 K CB -0.457 32.100 32.500 0.095 0.000 0.716 17 K HN 0.241 nan 8.250 nan 0.000 0.444 18 E N 1.145 121.385 120.200 0.067 0.000 2.072 18 E HA -0.208 4.153 4.350 0.017 0.000 0.191 18 E C 1.359 177.955 176.600 -0.005 0.000 0.985 18 E CA 1.318 57.736 56.400 0.030 0.000 0.801 18 E CB 0.141 29.862 29.700 0.034 0.000 0.750 18 E HN 0.182 nan 8.360 nan 0.000 0.452 19 D N 0.421 120.808 120.400 -0.021 0.000 2.097 19 D HA -0.157 4.493 4.640 0.017 0.000 0.195 19 D C 1.876 177.892 176.300 -0.475 0.000 0.989 19 D CA 1.449 55.320 54.000 -0.215 0.000 0.827 19 D CB -0.360 40.229 40.800 -0.351 0.000 0.966 19 D HN 0.313 nan 8.370 nan 0.000 0.456 20 A N 1.120 123.728 122.820 -0.353 0.000 1.908 20 A HA -0.221 4.110 4.320 0.017 0.000 0.218 20 A C 2.195 179.646 177.584 -0.221 0.000 1.181 20 A CA 1.856 53.690 52.037 -0.339 0.000 0.627 20 A CB -0.567 18.321 19.000 -0.187 0.000 0.818 20 A HN 0.175 nan 8.150 nan 0.000 0.445 21 R N -0.360 120.071 120.500 -0.115 0.000 2.073 21 R HA -0.133 4.217 4.340 0.017 0.000 0.234 21 R C 2.296 178.583 176.300 -0.022 0.000 1.134 21 R CA 1.702 57.770 56.100 -0.053 0.000 0.952 21 R CB -0.279 30.013 30.300 -0.013 0.000 0.850 21 R HN 0.514 nan 8.270 nan 0.000 0.433 22 R N -0.225 120.279 120.500 0.008 0.000 2.148 22 R HA -0.048 4.303 4.340 0.017 0.000 0.227 22 R C 2.353 178.785 176.300 0.221 0.000 1.103 22 R CA 1.685 57.883 56.100 0.163 0.000 0.983 22 R CB -0.193 30.274 30.300 0.278 0.000 0.874 22 R HN 0.322 nan 8.270 nan 0.000 0.451 23 M N -0.261 119.263 119.600 -0.127 0.000 2.132 23 M HA -0.133 4.357 4.480 0.017 0.000 0.263 23 M C 2.467 178.732 176.300 -0.059 0.000 1.065 23 M CA 1.519 56.681 55.300 -0.231 0.000 1.122 23 M CB -0.182 32.046 32.600 -0.621 0.000 1.365 23 M HN 0.058 nan 8.290 nan 0.000 0.411 24 R N 0.913 121.366 120.500 -0.078 0.000 2.066 24 R HA -0.152 4.198 4.340 0.017 0.000 0.232 24 R C 1.725 178.032 176.300 0.013 0.000 1.131 24 R CA 1.746 57.819 56.100 -0.045 0.000 0.955 24 R CB -0.164 30.104 30.300 -0.054 0.000 0.851 24 R HN 0.421 nan 8.270 nan 0.000 0.432 25 E N 0.029 120.263 120.200 0.055 0.000 2.153 25 E HA -0.168 4.192 4.350 0.017 0.000 0.194 25 E C 1.809 178.477 176.600 0.113 0.000 0.988 25 E CA 1.081 57.535 56.400 0.090 0.000 0.811 25 E CB -0.068 29.706 29.700 0.124 0.000 0.746 25 E HN 0.491 nan 8.360 nan 0.000 0.466 26 A N 0.364 123.279 122.820 0.157 0.000 2.119 26 A HA 0.140 4.470 4.320 0.017 0.000 0.217 26 A C 1.870 179.451 177.584 -0.006 0.000 1.153 26 A CA 1.096 53.183 52.037 0.084 0.000 0.692 26 A CB -0.231 18.896 19.000 0.212 0.000 0.799 26 A HN 0.364 nan 8.150 nan 0.000 0.458 27 G N -1.720 107.088 108.800 0.013 0.000 2.148 27 G HA2 -0.155 3.815 3.960 0.017 0.000 0.203 27 G HA3 -0.155 3.815 3.960 0.017 0.000 0.203 27 G C 0.016 174.905 174.900 -0.019 0.000 0.993 27 G CA 0.045 45.138 45.100 -0.012 0.000 0.661 27 G HN 0.391 nan 8.290 nan 0.000 0.518 28 L N 0.947 122.166 121.223 -0.007 0.000 2.436 28 L HA 0.539 4.890 4.340 0.017 0.000 0.265 28 L C 1.739 178.570 176.870 -0.065 0.000 1.168 28 L CA 0.311 55.143 54.840 -0.013 0.000 0.815 28 L CB 1.420 43.485 42.059 0.010 0.000 1.109 28 L HN 0.350 nan 8.230 nan 0.000 0.462 29 S N -1.135 114.524 115.700 -0.068 0.000 2.575 29 S HA 0.191 4.671 4.470 0.017 0.000 0.230 29 S C 0.480 174.880 174.600 -0.334 0.000 1.062 29 S CA -0.342 57.756 58.200 -0.169 0.000 0.913 29 S CB 0.287 63.411 63.200 -0.126 0.000 0.837 29 S HN 0.603 nan 8.310 nan 0.000 0.487 30 H N 0.252 119.270 119.070 -0.087 0.000 2.690 30 H HA 0.722 5.288 4.556 0.017 0.000 0.368 30 H C -1.554 173.746 175.328 -0.045 0.000 1.150 30 H CA -0.628 55.395 56.048 -0.041 0.000 1.174 30 H CB 2.326 32.089 29.762 0.001 0.000 1.684 30 H HN 0.052 nan 8.280 nan 0.000 0.538 31 V N 2.698 122.650 119.914 0.062 0.000 2.569 31 V HA 0.268 4.398 4.120 0.017 0.000 0.301 31 V C 0.032 176.129 176.094 0.005 0.000 1.044 31 V CA -0.837 61.456 62.300 -0.011 0.000 0.874 31 V CB 2.393 34.133 31.823 -0.138 0.000 1.002 31 V HN 0.621 nan 8.190 nan 0.000 0.424 32 R N 5.353 125.864 120.500 0.018 0.000 2.312 32 R HA 0.834 5.184 4.340 0.017 0.000 0.311 32 R C -0.894 175.322 176.300 -0.141 0.000 1.004 32 R CA -0.313 55.770 56.100 -0.027 0.000 0.902 32 R CB 1.251 31.570 30.300 0.032 0.000 1.073 32 R HN 0.887 nan 8.270 nan 0.000 0.457 33 I N -0.483 119.975 120.570 -0.186 0.000 3.102 33 I HA 0.608 4.788 4.170 0.017 0.000 0.310 33 I C 0.353 176.358 176.117 -0.187 0.000 1.246 33 I CA -0.395 60.751 61.300 -0.257 0.000 0.979 33 I CB 2.275 40.130 38.000 -0.241 0.000 1.267 33 I HN 0.740 nan 8.210 nan 0.000 0.451 34 G N 2.162 110.893 108.800 -0.116 0.000 2.199 34 G HA2 -0.290 3.680 3.960 0.017 0.000 0.254 34 G HA3 -0.290 3.680 3.960 0.017 0.000 0.254 34 G C 0.864 175.777 174.900 0.022 0.000 0.982 34 G CA 0.551 45.653 45.100 0.003 0.000 0.632 34 G HN 1.081 nan 8.290 nan 0.000 0.529 35 E N 0.260 120.395 120.200 -0.107 0.000 2.333 35 E HA 0.007 4.367 4.350 0.017 0.000 0.198 35 E C 1.145 177.612 176.600 -0.222 0.000 1.007 35 E CA 1.008 57.260 56.400 -0.248 0.000 0.845 35 E CB -0.301 29.095 29.700 -0.506 0.000 0.766 35 E HN 0.558 nan 8.360 nan 0.000 0.507 36 F N 0.144 120.260 119.950 0.277 0.000 2.764 36 F HA 0.486 5.022 4.527 0.016 0.000 0.310 36 F C 1.341 177.325 175.800 0.307 0.000 1.124 36 F CA -0.326 57.844 58.000 0.284 0.000 1.252 36 F CB 0.731 39.897 39.000 0.276 0.000 1.010 36 F HN 0.066 nan 8.300 nan 0.000 0.518 37 A N -0.917 122.171 122.820 0.447 0.000 2.345 37 A HA 0.041 4.371 4.320 0.017 0.000 0.225 37 A C 1.736 179.623 177.584 0.505 0.000 1.243 37 A CA -0.264 52.057 52.037 0.473 0.000 0.875 37 A CB -0.628 18.721 19.000 0.581 0.000 0.929 37 A HN 0.503 nan 8.150 nan 0.000 0.502 38 W N 1.299 122.758 121.300 0.266 0.000 2.318 38 W HA -0.281 4.391 4.660 0.019 0.000 0.313 38 W C 2.144 178.800 176.519 0.228 0.000 1.221 38 W CA 1.835 59.311 57.345 0.219 0.000 1.266 38 W CB -0.786 28.782 29.460 0.180 0.000 1.150 38 W HN 0.437 nan 8.180 nan 0.000 0.496 39 A N -0.368 122.720 122.820 0.446 0.000 2.019 39 A HA -0.149 4.181 4.320 0.017 0.000 0.219 39 A C 1.885 179.643 177.584 0.291 0.000 1.164 39 A CA 1.570 53.789 52.037 0.304 0.000 0.644 39 A CB -0.666 18.462 19.000 0.214 0.000 0.805 39 A HN 0.208 nan 8.150 nan 0.000 0.449 40 L N -1.098 120.307 121.223 0.303 0.000 2.307 40 L HA 0.129 4.479 4.340 0.017 0.000 0.211 40 L C 2.195 179.340 176.870 0.457 0.000 1.099 40 L CA 0.936 55.909 54.840 0.222 0.000 0.816 40 L CB -1.253 40.780 42.059 -0.043 0.000 0.952 40 L HN 0.374 nan 8.230 nan 0.000 0.455 41 L N -0.660 120.848 121.223 0.475 0.000 2.209 41 L HA 0.013 4.363 4.340 0.017 0.000 0.207 41 L C 1.026 177.941 176.870 0.075 0.000 1.094 41 L CA 0.635 55.605 54.840 0.216 0.000 0.790 41 L CB 0.188 42.248 42.059 0.003 0.000 0.932 41 L HN 0.222 nan 8.230 nan 0.000 0.447 42 E N 0.334 120.720 120.200 0.310 0.000 3.666 42 E HA 0.132 4.492 4.350 0.017 0.000 0.230 42 E C -1.912 174.919 176.600 0.386 0.000 1.235 42 E CA -1.430 55.163 56.400 0.322 0.000 1.096 42 E CB 0.972 31.014 29.700 0.571 0.000 1.287 42 E HN -0.015 nan 8.360 nan 0.000 0.406 43 P HA -0.104 nan 4.420 nan 0.000 0.218 43 P C -0.118 177.194 177.300 0.020 0.000 1.149 43 P CA 0.961 64.170 63.100 0.182 0.000 0.817 43 P CB 0.457 32.215 31.700 0.096 0.000 0.785 44 E N -0.100 120.010 120.200 -0.150 0.000 2.199 44 E HA 0.388 4.748 4.350 0.017 0.000 0.269 44 E C -2.585 173.620 176.600 -0.659 0.000 0.899 44 E CA -3.051 53.107 56.400 -0.403 0.000 0.772 44 E CB 1.114 30.677 29.700 -0.228 0.000 1.155 44 E HN 0.002 nan 8.360 nan 0.000 0.408 45 P HA -0.009 nan 4.420 nan 0.000 0.260 45 P C 0.754 177.772 177.300 -0.470 0.000 1.185 45 P CA 1.114 63.483 63.100 -1.219 0.000 0.763 45 P CB 0.289 31.345 31.700 -1.074 0.000 0.776 46 G N 2.827 111.485 108.800 -0.237 0.000 2.212 46 G HA2 -0.249 3.722 3.960 0.017 0.000 0.266 46 G HA3 -0.249 3.722 3.960 0.017 0.000 0.266 46 G C 0.212 175.082 174.900 -0.051 0.000 0.978 46 G CA -0.331 44.727 45.100 -0.070 0.000 0.632 46 G HN 0.507 nan 8.290 nan 0.000 0.537 47 R N 0.580 121.025 120.500 -0.092 0.000 2.278 47 R HA 0.454 4.804 4.340 0.017 0.000 0.322 47 R C 0.141 176.409 176.300 -0.053 0.000 1.058 47 R CA -0.631 55.434 56.100 -0.059 0.000 0.991 47 R CB 0.678 30.932 30.300 -0.077 0.000 1.140 47 R HN 0.203 nan 8.270 nan 0.000 0.518 48 L N 2.265 123.446 121.223 -0.069 0.000 2.349 48 L HA 0.312 4.662 4.340 0.017 0.000 0.275 48 L C 0.598 177.319 176.870 -0.247 0.000 1.115 48 L CA 0.266 54.954 54.840 -0.253 0.000 0.820 48 L CB 0.764 42.596 42.059 -0.379 0.000 1.135 48 L HN 0.451 nan 8.230 nan 0.000 0.445 49 E N 2.909 122.931 120.200 -0.296 0.000 2.593 49 E HA 0.098 4.458 4.350 0.017 0.000 0.232 49 E C -0.223 176.333 176.600 -0.073 0.000 1.026 49 E CA -0.062 56.310 56.400 -0.046 0.000 0.772 49 E CB 0.533 30.321 29.700 0.147 0.000 1.310 49 E HN 0.553 nan 8.360 nan 0.000 0.413 50 W N 1.262 122.603 121.300 0.068 0.000 2.770 50 W HA 0.093 4.763 4.660 0.017 0.000 0.256 50 W C 2.090 178.556 176.519 -0.088 0.000 1.291 50 W CA 0.205 57.520 57.345 -0.051 0.000 1.396 50 W CB 0.112 29.554 29.460 -0.031 0.000 1.114 50 W HN 0.590 nan 8.180 nan 0.000 0.637 51 G N 2.704 111.649 108.800 0.242 0.000 2.681 51 G HA2 -0.382 3.588 3.960 0.017 0.000 0.220 51 G HA3 -0.382 3.588 3.960 0.017 0.000 0.220 51 G C 1.262 176.310 174.900 0.248 0.000 1.210 51 G CA 1.728 46.967 45.100 0.232 0.000 0.783 51 G HN 0.482 nan 8.290 nan 0.000 0.609 52 W N 0.421 121.885 121.300 0.274 0.000 2.363 52 W HA 0.037 4.707 4.660 0.016 0.000 0.296 52 W C 1.876 178.599 176.519 0.340 0.000 1.212 52 W CA 1.003 58.579 57.345 0.385 0.000 1.260 52 W CB -1.210 28.492 29.460 0.403 0.000 1.131 52 W HN 0.216 nan 8.180 nan 0.000 0.530 53 L N 2.302 123.017 121.223 -0.847 0.000 2.109 53 L HA -0.100 4.250 4.340 0.017 0.000 0.207 53 L C 2.069 178.767 176.870 -0.288 0.000 1.086 53 L CA 2.180 56.516 54.840 -0.840 0.000 0.760 53 L CB -1.084 40.369 42.059 -1.009 0.000 0.910 53 L HN -0.246 nan 8.230 nan 0.000 0.437 54 D N -0.312 120.069 120.400 -0.032 0.000 2.104 54 D HA -0.249 4.402 4.640 0.017 0.000 0.194 54 D C 2.010 178.350 176.300 0.066 0.000 0.994 54 D CA 1.529 55.582 54.000 0.088 0.000 0.830 54 D CB 0.002 40.893 40.800 0.153 0.000 0.959 54 D HN 0.548 nan 8.370 nan 0.000 0.452 55 E N 0.386 120.681 120.200 0.159 0.000 2.072 55 E HA -0.133 4.228 4.350 0.017 0.000 0.191 55 E C 2.019 178.766 176.600 0.244 0.000 0.985 55 E CA 0.922 57.478 56.400 0.261 0.000 0.801 55 E CB 0.037 29.998 29.700 0.435 0.000 0.750 55 E HN 0.162 nan 8.360 nan 0.000 0.452 56 A N 1.085 123.969 122.820 0.108 0.000 1.902 56 A HA -0.174 4.156 4.320 0.017 0.000 0.217 56 A C 2.145 179.632 177.584 -0.161 0.000 1.181 56 A CA 1.315 53.214 52.037 -0.230 0.000 0.623 56 A CB -0.620 18.012 19.000 -0.612 0.000 0.818 56 A HN 0.313 nan 8.150 nan 0.000 0.443 57 I N -0.303 120.154 120.570 -0.188 0.000 2.179 57 I HA -0.281 3.900 4.170 0.017 0.000 0.242 57 I C 2.981 179.035 176.117 -0.105 0.000 1.088 57 I CA 1.076 62.256 61.300 -0.200 0.000 1.357 57 I CB -0.391 37.434 38.000 -0.293 0.000 1.051 57 I HN 0.363 nan 8.210 nan 0.000 0.409 58 A N 0.381 123.178 122.820 -0.039 0.000 1.902 58 A HA -0.203 4.127 4.320 0.017 0.000 0.217 58 A C 2.377 179.966 177.584 0.007 0.000 1.181 58 A CA 2.439 54.475 52.037 -0.002 0.000 0.623 58 A CB -1.076 17.948 19.000 0.040 0.000 0.818 58 A HN 0.391 nan 8.150 nan 0.000 0.443 59 T N 0.439 115.019 114.554 0.043 0.000 2.746 59 T HA -0.079 4.281 4.350 0.017 0.000 0.267 59 T C 1.800 176.487 174.700 -0.021 0.000 1.039 59 T CA 1.515 63.651 62.100 0.059 0.000 1.142 59 T CB -0.356 68.616 68.868 0.173 0.000 0.866 59 T HN 0.377 nan 8.240 nan 0.000 0.444 60 L N 0.688 121.866 121.223 -0.074 0.000 2.056 60 L HA 0.004 4.354 4.340 0.017 0.000 0.207 60 L C 3.056 179.855 176.870 -0.119 0.000 1.078 60 L CA 1.091 55.850 54.840 -0.135 0.000 0.749 60 L CB -0.658 41.297 42.059 -0.173 0.000 0.901 60 L HN 0.219 nan 8.230 nan 0.000 0.433 61 A N 0.178 122.939 122.820 -0.098 0.000 1.933 61 A HA -0.172 4.158 4.320 0.017 0.000 0.218 61 A C 2.501 180.046 177.584 -0.066 0.000 1.175 61 A CA 1.634 53.619 52.037 -0.087 0.000 0.628 61 A CB -0.687 18.268 19.000 -0.074 0.000 0.814 61 A HN 0.398 nan 8.150 nan 0.000 0.444 62 A N -0.697 122.094 122.820 -0.047 0.000 2.070 62 A HA -0.105 4.225 4.320 0.017 0.000 0.220 62 A C 1.678 179.237 177.584 -0.042 0.000 1.159 62 A CA 1.539 53.556 52.037 -0.032 0.000 0.656 62 A CB -0.236 18.757 19.000 -0.011 0.000 0.800 62 A HN 0.420 nan 8.150 nan 0.000 0.453 63 E N -1.320 118.842 120.200 -0.063 0.000 2.465 63 E HA 0.216 4.577 4.350 0.017 0.000 0.191 63 E C 1.147 177.699 176.600 -0.080 0.000 1.053 63 E CA 0.576 56.934 56.400 -0.071 0.000 0.869 63 E CB -0.096 29.546 29.700 -0.096 0.000 0.977 63 E HN 0.749 nan 8.360 nan 0.000 0.483 64 G N 1.392 110.143 108.800 -0.081 0.000 2.143 64 G HA2 -0.288 3.682 3.960 0.017 0.000 0.249 64 G HA3 -0.288 3.682 3.960 0.017 0.000 0.249 64 G C 0.268 175.094 174.900 -0.124 0.000 0.981 64 G CA 0.242 45.289 45.100 -0.088 0.000 0.665 64 G HN 0.227 nan 8.290 nan 0.000 0.528 65 L N 0.284 121.421 121.223 -0.144 0.000 2.395 65 L HA 0.480 4.830 4.340 0.017 0.000 0.269 65 L C 0.680 177.434 176.870 -0.195 0.000 1.133 65 L CA -0.650 54.078 54.840 -0.186 0.000 0.812 65 L CB 0.798 42.739 42.059 -0.196 0.000 1.125 65 L HN -0.123 nan 8.230 nan 0.000 0.452 66 K N 2.062 122.303 120.400 -0.265 0.000 2.156 66 K HA 0.450 4.780 4.320 0.017 0.000 0.271 66 K C -0.811 175.718 176.600 -0.119 0.000 0.995 66 K CA -0.532 55.624 56.287 -0.218 0.000 0.890 66 K CB 2.104 34.394 32.500 -0.349 0.000 1.073 66 K HN 0.242 nan 8.250 nan 0.000 0.454 67 V N 3.068 122.912 119.914 -0.116 0.000 2.472 67 V HA 0.289 4.419 4.120 0.017 0.000 0.290 67 V C -0.054 175.948 176.094 -0.154 0.000 1.037 67 V CA -0.929 61.288 62.300 -0.139 0.000 0.908 67 V CB 1.822 33.508 31.823 -0.228 0.000 0.985 67 V HN 0.368 nan 8.190 nan 0.000 0.454 68 V N 6.377 126.228 119.914 -0.105 0.000 2.334 68 V HA 0.414 4.544 4.120 0.017 0.000 0.281 68 V C -0.148 175.792 176.094 -0.257 0.000 1.016 68 V CA -0.417 61.793 62.300 -0.150 0.000 0.832 68 V CB 1.387 33.285 31.823 0.124 0.000 0.999 68 V HN 0.619 nan 8.190 nan 0.000 0.439 69 L N 4.512 125.449 121.223 -0.476 0.000 2.276 69 L HA 0.644 4.994 4.340 0.017 0.000 0.286 69 L C 0.948 177.733 176.870 -0.141 0.000 1.061 69 L CA -0.124 54.498 54.840 -0.364 0.000 0.807 69 L CB 1.272 43.029 42.059 -0.504 0.000 1.177 69 L HN 0.733 nan 8.230 nan 0.000 0.429 70 G N 0.950 109.699 108.800 -0.085 0.000 2.348 70 G HA2 0.438 4.408 3.960 0.017 0.000 0.312 70 G HA3 0.438 4.408 3.960 0.017 0.000 0.312 70 G C 0.107 175.014 174.900 0.012 0.000 1.126 70 G CA -0.343 44.733 45.100 -0.041 0.000 0.865 70 G HN 0.575 nan 8.290 nan 0.000 0.474 71 T N 0.704 115.281 114.554 0.038 0.000 2.919 71 T HA 0.339 4.699 4.350 0.017 0.000 0.302 71 T C -1.497 173.196 174.700 -0.011 0.000 1.031 71 T CA -1.310 60.794 62.100 0.006 0.000 1.127 71 T CB 1.990 70.835 68.868 -0.038 0.000 0.952 71 T HN 0.331 nan 8.240 nan 0.000 0.540 72 P HA 0.095 nan 4.420 nan 0.000 0.255 72 P C 1.077 178.520 177.300 0.238 0.000 1.427 72 P CA -0.069 63.082 63.100 0.085 0.000 0.863 72 P CB -0.519 31.236 31.700 0.091 0.000 1.444 73 T N -4.021 110.641 114.554 0.180 0.000 3.118 73 T HA 0.122 4.482 4.350 0.017 0.000 0.260 73 T C 1.801 176.758 174.700 0.428 0.000 1.139 73 T CA 0.680 62.989 62.100 0.348 0.000 1.085 73 T CB -0.443 68.563 68.868 0.230 0.000 0.934 73 T HN 0.019 nan 8.240 nan 0.000 0.518 74 A N 2.050 125.116 122.820 0.409 0.000 2.014 74 A HA 0.159 4.489 4.320 0.017 0.000 0.218 74 A C 1.661 179.466 177.584 0.368 0.000 1.163 74 A CA 1.059 53.381 52.037 0.474 0.000 0.652 74 A CB -0.504 18.734 19.000 0.398 0.000 0.808 74 A HN 0.660 nan 8.150 nan 0.000 0.449 75 T N -0.862 113.921 114.554 0.382 0.000 3.141 75 T HA 0.490 4.850 4.350 0.017 0.000 0.377 75 T C -3.085 171.781 174.700 0.277 0.000 1.258 75 T CA -1.807 60.430 62.100 0.229 0.000 1.263 75 T CB 1.555 70.621 68.868 0.330 0.000 1.066 75 T HN 0.121 nan 8.240 nan 0.000 0.546 76 P HA 0.343 nan 4.420 nan 0.000 0.275 76 P C -2.737 174.509 177.300 -0.091 0.000 1.228 76 P CA -1.484 61.542 63.100 -0.124 0.000 0.786 76 P CB 0.073 31.669 31.700 -0.174 0.000 0.927 77 P HA 0.056 nan 4.420 nan 0.000 0.269 77 P C 0.978 177.931 177.300 -0.579 0.000 1.215 77 P CA -0.005 62.790 63.100 -0.509 0.000 0.780 77 P CB 0.399 31.476 31.700 -1.038 0.000 0.898 78 K N 2.863 122.901 120.400 -0.604 0.000 2.097 78 K HA -0.123 4.207 4.320 0.017 0.000 0.206 78 K C 1.631 177.910 176.600 -0.536 0.000 1.049 78 K CA 1.669 57.354 56.287 -1.004 0.000 0.933 78 K CB -0.924 30.861 32.500 -1.192 0.000 0.717 78 K HN 0.648 nan 8.250 nan 0.000 0.442 79 W N 0.087 121.206 121.300 -0.302 0.000 2.392 79 W HA -0.145 4.524 4.660 0.015 0.000 0.279 79 W C 1.305 177.703 176.519 -0.201 0.000 1.225 79 W CA 0.305 57.517 57.345 -0.223 0.000 1.233 79 W CB -0.799 28.563 29.460 -0.164 0.000 1.122 79 W HN 0.084 nan 8.180 nan 0.000 0.561 80 L N 1.853 122.576 121.223 -0.833 0.000 2.095 80 L HA -0.057 4.293 4.340 0.017 0.000 0.204 80 L C 2.498 179.214 176.870 -0.256 0.000 1.080 80 L CA 1.580 56.016 54.840 -0.673 0.000 0.759 80 L CB -1.067 40.281 42.059 -1.184 0.000 0.914 80 L HN -0.162 nan 8.230 nan 0.000 0.439 81 V N -0.157 119.583 119.914 -0.289 0.000 2.427 81 V HA -0.244 3.886 4.120 0.017 0.000 0.248 81 V C 2.151 178.179 176.094 -0.111 0.000 1.051 81 V CA 1.801 64.019 62.300 -0.136 0.000 1.048 81 V CB -0.752 30.991 31.823 -0.132 0.000 0.666 81 V HN 0.421 nan 8.190 nan 0.000 0.456 82 D N -0.300 120.002 120.400 -0.162 0.000 2.144 82 D HA -0.134 4.517 4.640 0.017 0.000 0.200 82 D C 2.299 178.537 176.300 -0.102 0.000 0.978 82 D CA 1.088 55.018 54.000 -0.117 0.000 0.833 82 D CB -0.220 40.512 40.800 -0.114 0.000 0.961 82 D HN 0.342 nan 8.370 nan 0.000 0.470 83 R N -0.597 119.818 120.500 -0.142 0.000 2.075 83 R HA -0.107 4.243 4.340 0.017 0.000 0.232 83 R C 0.017 176.067 176.300 -0.416 0.000 1.126 83 R CA 0.969 56.878 56.100 -0.318 0.000 0.963 83 R CB 0.051 30.087 30.300 -0.440 0.000 0.858 83 R HN 0.123 nan 8.270 nan 0.000 0.435 84 Y N -0.412 119.902 120.300 0.024 0.000 2.863 84 Y HA 0.368 4.926 4.550 0.014 0.000 0.348 84 Y C -2.021 173.885 175.900 0.011 0.000 1.028 84 Y CA -3.050 55.069 58.100 0.032 0.000 1.213 84 Y CB 1.744 40.238 38.460 0.058 0.000 1.120 84 Y HN 0.091 nan 8.280 nan 0.000 0.598 85 P HA -0.207 nan 4.420 nan 0.000 0.221 85 P C 1.195 178.549 177.300 0.089 0.000 1.145 85 P CA 1.584 64.730 63.100 0.077 0.000 0.795 85 P CB 0.287 32.019 31.700 0.054 0.000 0.775 86 E N -0.317 119.956 120.200 0.122 0.000 2.401 86 E HA -0.134 4.226 4.350 0.017 0.000 0.199 86 E C 1.682 178.328 176.600 0.076 0.000 1.023 86 E CA 0.682 57.142 56.400 0.099 0.000 0.859 86 E CB -1.012 28.752 29.700 0.107 0.000 0.780 86 E HN 0.238 nan 8.360 nan 0.000 0.523 87 I N 1.170 121.782 120.570 0.071 0.000 2.315 87 I HA -0.138 4.042 4.170 0.017 0.000 0.248 87 I C 1.122 177.219 176.117 -0.034 0.000 1.117 87 I CA 0.425 61.719 61.300 -0.012 0.000 1.404 87 I CB -0.162 37.796 38.000 -0.070 0.000 1.071 87 I HN 0.136 nan 8.210 nan 0.000 0.419 88 L N 3.442 124.674 121.223 0.015 0.000 2.455 88 L HA 0.105 4.455 4.340 0.017 0.000 0.272 88 L C -1.912 174.970 176.870 0.019 0.000 1.174 88 L CA -1.441 53.415 54.840 0.026 0.000 0.869 88 L CB -0.313 41.772 42.059 0.043 0.000 1.130 88 L HN -0.068 nan 8.230 nan 0.000 0.474 89 P HA 0.196 nan 4.420 nan 0.000 0.276 89 P C -0.972 176.358 177.300 0.050 0.000 1.261 89 P CA -0.377 62.729 63.100 0.009 0.000 0.800 89 P CB 1.633 33.310 31.700 -0.040 0.000 1.066 90 V N 1.538 121.502 119.914 0.084 0.000 2.540 90 V HA 0.201 4.331 4.120 0.017 0.000 0.302 90 V C 0.288 176.498 176.094 0.193 0.000 1.035 90 V CA -0.496 61.877 62.300 0.122 0.000 0.873 90 V CB 1.301 33.207 31.823 0.138 0.000 0.992 90 V HN 0.668 nan 8.190 nan 0.000 0.428 91 D N 3.998 124.494 120.400 0.160 0.000 2.433 91 D HA 0.144 4.794 4.640 0.017 0.000 0.255 91 D C 1.290 177.648 176.300 0.096 0.000 1.226 91 D CA -0.661 53.449 54.000 0.182 0.000 1.015 91 D CB 0.540 41.398 40.800 0.098 0.000 1.091 91 D HN 0.545 nan 8.370 nan 0.000 0.527 92 R N -0.386 120.063 120.500 -0.085 0.000 2.193 92 R HA -0.126 4.224 4.340 0.017 0.000 0.229 92 R C 0.597 176.779 176.300 -0.196 0.000 1.110 92 R CA 0.952 56.704 56.100 -0.580 0.000 0.988 92 R CB -0.474 29.605 30.300 -0.367 0.000 0.871 92 R HN 0.371 nan 8.270 nan 0.000 0.458 93 E N 0.415 120.577 120.200 -0.063 0.000 2.481 93 E HA 0.041 4.401 4.350 0.017 0.000 0.195 93 E C 1.121 177.725 176.600 0.008 0.000 1.047 93 E CA 0.803 57.187 56.400 -0.027 0.000 0.867 93 E CB 0.398 30.091 29.700 -0.011 0.000 0.858 93 E HN 0.681 nan 8.360 nan 0.000 0.513 94 G N 1.877 110.714 108.800 0.062 0.000 2.141 94 G HA2 -0.303 3.667 3.960 0.017 0.000 0.242 94 G HA3 -0.303 3.667 3.960 0.017 0.000 0.242 94 G C 0.130 175.079 174.900 0.081 0.000 0.982 94 G CA -0.028 45.140 45.100 0.114 0.000 0.662 94 G HN 0.212 nan 8.290 nan 0.000 0.527 95 R N -0.258 120.279 120.500 0.063 0.000 2.368 95 R HA 0.586 4.936 4.340 0.017 0.000 0.302 95 R C 0.432 176.768 176.300 0.059 0.000 1.002 95 R CA -0.949 55.181 56.100 0.051 0.000 0.929 95 R CB 0.956 31.276 30.300 0.034 0.000 1.073 95 R HN 0.149 nan 8.270 nan 0.000 0.464 96 R N 2.397 122.928 120.500 0.051 0.000 2.442 96 R HA 0.069 4.419 4.340 0.017 0.000 0.291 96 R C -0.176 176.146 176.300 0.037 0.000 1.069 96 R CA 0.053 56.183 56.100 0.049 0.000 1.022 96 R CB 0.392 30.718 30.300 0.044 0.000 0.976 96 R HN 0.387 nan 8.270 nan 0.000 0.443 97 R N 2.840 123.362 120.500 0.036 0.000 2.580 97 R HA 0.381 4.731 4.340 0.017 0.000 0.267 97 R C 0.072 176.381 176.300 0.016 0.000 1.125 97 R CA -0.473 55.641 56.100 0.023 0.000 1.188 97 R CB 0.236 30.550 30.300 0.023 0.000 1.155 97 R HN 0.704 nan 8.270 nan 0.000 0.586 98 R N -0.225 120.272 120.500 -0.004 0.000 2.867 98 R HA 0.325 4.675 4.340 0.017 0.000 0.268 98 R C -0.788 175.466 176.300 -0.076 0.000 1.014 98 R CA -0.706 55.386 56.100 -0.013 0.000 0.946 98 R CB 1.172 31.466 30.300 -0.009 0.000 1.208 98 R HN 0.386 nan 8.270 nan 0.000 0.477 99 F N 0.741 120.516 119.950 -0.293 0.000 2.490 99 F HA 0.364 4.900 4.527 0.016 0.000 0.336 99 F C 1.037 176.624 175.800 -0.355 0.000 1.178 99 F CA 2.112 59.781 58.000 -0.551 0.000 1.301 99 F CB 1.257 39.991 39.000 -0.444 0.000 1.175 99 F HN 0.760 nan 8.300 nan 0.000 0.593 100 G N 1.948 110.156 108.800 -0.988 0.000 2.901 100 G HA2 -0.019 3.951 3.960 0.017 0.000 0.194 100 G HA3 -0.019 3.951 3.960 0.017 0.000 0.194 100 G C 0.335 174.952 174.900 -0.471 0.000 1.020 100 G CA -0.005 44.780 45.100 -0.524 0.000 0.787 100 G HN 1.267 nan 8.290 nan 0.000 0.477 101 G N 0.242 108.780 108.800 -0.437 0.000 3.306 101 G HA2 0.713 4.683 3.960 0.017 0.000 0.202 101 G HA3 0.713 4.683 3.960 0.017 0.000 0.202 101 G C 0.075 174.851 174.900 -0.208 0.000 1.673 101 G CA 0.486 45.408 45.100 -0.297 0.000 0.776 101 G HN 1.062 nan 8.290 nan 0.000 0.740 102 R N -1.980 118.454 120.500 -0.111 0.000 2.752 102 R HA 0.652 5.003 4.340 0.017 0.000 0.271 102 R C -0.205 176.061 176.300 -0.057 0.000 1.026 102 R CA -0.810 55.263 56.100 -0.044 0.000 0.901 102 R CB 1.016 31.255 30.300 -0.101 0.000 1.243 102 R HN 0.391 nan 8.270 nan 0.000 0.463 103 R N 0.216 120.624 120.500 -0.153 0.000 3.878 103 R HA -0.116 4.234 4.340 0.017 0.000 0.330 103 R C -0.407 175.679 176.300 -0.356 0.000 1.186 103 R CA 1.279 57.253 56.100 -0.211 0.000 0.885 103 R CB -2.085 28.187 30.300 -0.047 0.000 1.377 103 R HN 0.881 nan 8.270 nan 0.000 0.523 104 H N -0.427 118.573 119.070 -0.117 0.000 2.966 104 H HA 0.225 4.791 4.556 0.016 0.000 0.217 104 H C -0.145 175.106 175.328 -0.128 0.000 1.906 104 H CA 0.128 56.097 56.048 -0.130 0.000 1.351 104 H CB -0.878 28.834 29.762 -0.083 0.000 1.722 104 H HN 0.400 nan 8.280 nan 0.000 0.562 105 Y N -1.102 118.990 120.300 -0.348 0.000 2.571 105 Y HA 0.426 4.985 4.550 0.015 0.000 0.341 105 Y C -1.306 174.316 175.900 -0.463 0.000 1.076 105 Y CA -2.000 55.795 58.100 -0.509 0.000 1.029 105 Y CB 0.555 38.452 38.460 -0.938 0.000 1.308 105 Y HN 0.250 nan 8.280 nan 0.000 0.461 106 C N 3.924 123.146 119.300 -0.130 0.000 2.330 106 C HA 0.470 4.940 4.460 0.017 0.000 0.344 106 C C 0.892 175.863 174.990 -0.031 0.000 1.273 106 C CA -0.510 58.450 59.018 -0.096 0.000 1.879 106 C CB -1.276 26.470 27.740 0.011 0.000 2.376 106 C HN 0.907 nan 8.230 nan 0.000 0.534 107 F N 2.971 122.899 119.950 -0.036 0.000 2.604 107 F HA 0.013 4.550 4.527 0.017 0.000 0.298 107 F C 2.436 178.256 175.800 0.032 0.000 1.131 107 F CA 1.129 59.081 58.000 -0.080 0.000 1.457 107 F CB 0.037 38.899 39.000 -0.229 0.000 1.095 107 F HN 0.658 nan 8.300 nan 0.000 0.574 108 S N -1.691 114.132 115.700 0.205 0.000 2.503 108 S HA -0.011 4.469 4.470 0.017 0.000 0.215 108 S C 0.943 175.662 174.600 0.199 0.000 1.003 108 S CA -0.083 58.243 58.200 0.209 0.000 0.910 108 S CB -0.093 63.251 63.200 0.240 0.000 0.790 108 S HN 0.168 nan 8.310 nan 0.000 0.514 109 S N 3.933 119.744 115.700 0.185 0.000 2.555 109 S HA 0.059 4.539 4.470 0.017 0.000 0.293 109 S C -1.128 173.573 174.600 0.169 0.000 1.248 109 S CA -1.191 57.108 58.200 0.165 0.000 1.096 109 S CB 0.705 64.002 63.200 0.161 0.000 0.881 109 S HN 0.183 nan 8.310 nan 0.000 0.498 110 P HA -0.071 nan 4.420 nan 0.000 0.219 110 P C 1.508 178.831 177.300 0.038 0.000 1.150 110 P CA 0.681 63.833 63.100 0.085 0.000 0.814 110 P CB 0.006 31.746 31.700 0.067 0.000 0.787 111 V N -0.681 119.228 119.914 -0.009 0.000 2.307 111 V HA -0.236 3.894 4.120 0.017 0.000 0.245 111 V C 2.609 178.686 176.094 -0.029 0.000 1.045 111 V CA 1.680 63.889 62.300 -0.153 0.000 1.024 111 V CB -1.553 30.038 31.823 -0.388 0.000 0.651 111 V HN -0.030 nan 8.190 nan 0.000 0.449 112 Y N 1.012 121.287 120.300 -0.042 0.000 2.352 112 Y HA -0.106 4.455 4.550 0.018 0.000 0.292 112 Y C 2.628 178.599 175.900 0.118 0.000 1.136 112 Y CA 1.132 59.257 58.100 0.042 0.000 1.227 112 Y CB -0.182 38.304 38.460 0.044 0.000 0.991 112 Y HN 0.086 nan 8.280 nan 0.000 0.545 113 R N 0.368 120.937 120.500 0.115 0.000 2.091 113 R HA -0.137 4.213 4.340 0.017 0.000 0.238 113 R C 1.892 178.138 176.300 -0.090 0.000 1.136 113 R CA 1.451 57.567 56.100 0.026 0.000 0.959 113 R CB -0.592 29.756 30.300 0.080 0.000 0.856 113 R HN 0.391 nan 8.270 nan 0.000 0.437 114 E N 0.663 120.834 120.200 -0.049 0.000 2.107 114 E HA -0.116 4.244 4.350 0.017 0.000 0.191 114 E C 1.868 178.446 176.600 -0.036 0.000 0.982 114 E CA 0.701 57.074 56.400 -0.045 0.000 0.809 114 E CB 0.004 29.691 29.700 -0.021 0.000 0.756 114 E HN 0.283 nan 8.360 nan 0.000 0.459 115 E N 0.785 120.973 120.200 -0.020 0.000 2.106 115 E HA -0.068 4.292 4.350 0.017 0.000 0.192 115 E C 1.983 178.582 176.600 -0.002 0.000 0.984 115 E CA 0.971 57.432 56.400 0.103 0.000 0.806 115 E CB -0.218 29.622 29.700 0.233 0.000 0.750 115 E HN 0.197 nan 8.360 nan 0.000 0.458 116 A N 1.648 124.300 122.820 -0.280 0.000 1.898 116 A HA -0.190 4.140 4.320 0.017 0.000 0.216 116 A C 2.238 179.630 177.584 -0.320 0.000 1.181 116 A CA 1.622 53.411 52.037 -0.414 0.000 0.620 116 A CB -0.511 18.115 19.000 -0.623 0.000 0.819 116 A HN 0.137 nan 8.150 nan 0.000 0.442 117 R N -0.325 120.027 120.500 -0.248 0.000 2.096 117 R HA -0.205 4.145 4.340 0.017 0.000 0.240 117 R C 2.455 178.673 176.300 -0.137 0.000 1.139 117 R CA 1.928 57.917 56.100 -0.184 0.000 0.952 117 R CB -0.344 29.881 30.300 -0.125 0.000 0.854 117 R HN 0.577 nan 8.270 nan 0.000 0.436 118 R N 0.116 120.566 120.500 -0.083 0.000 2.070 118 R HA -0.165 4.185 4.340 0.017 0.000 0.233 118 R C 2.307 178.567 176.300 -0.067 0.000 1.137 118 R CA 1.887 57.968 56.100 -0.031 0.000 0.945 118 R CB -0.444 29.896 30.300 0.066 0.000 0.845 118 R HN 0.292 nan 8.270 nan 0.000 0.430 119 I N 0.518 120.996 120.570 -0.154 0.000 2.315 119 I HA -0.176 4.005 4.170 0.017 0.000 0.248 119 I C 1.848 177.823 176.117 -0.238 0.000 1.117 119 I CA 1.089 62.219 61.300 -0.283 0.000 1.404 119 I CB 0.064 37.535 38.000 -0.881 0.000 1.071 119 I HN 0.028 nan 8.210 nan 0.000 0.419 120 V N -0.091 119.665 119.914 -0.264 0.000 2.453 120 V HA -0.235 3.895 4.120 0.017 0.000 0.247 120 V C 2.381 178.366 176.094 -0.183 0.000 1.048 120 V CA 2.218 64.386 62.300 -0.221 0.000 1.049 120 V CB -1.156 30.515 31.823 -0.252 0.000 0.672 120 V HN 0.437 nan 8.190 nan 0.000 0.457 121 T N 0.422 114.875 114.554 -0.169 0.000 2.821 121 T HA -0.071 4.289 4.350 0.017 0.000 0.267 121 T C 1.903 176.469 174.700 -0.224 0.000 1.046 121 T CA 1.314 63.296 62.100 -0.196 0.000 1.139 121 T CB -0.228 68.534 68.868 -0.175 0.000 0.871 121 T HN 0.278 nan 8.240 nan 0.000 0.454 122 L N 0.282 121.431 121.223 -0.124 0.000 2.017 122 L HA -0.063 4.287 4.340 0.017 0.000 0.208 122 L C 2.446 179.198 176.870 -0.197 0.000 1.073 122 L CA 0.918 55.708 54.840 -0.082 0.000 0.745 122 L CB -0.530 41.644 42.059 0.192 0.000 0.894 122 L HN 0.215 nan 8.230 nan 0.000 0.432 123 L N 0.002 121.197 121.223 -0.046 0.000 2.046 123 L HA -0.176 4.174 4.340 0.017 0.000 0.208 123 L C 2.610 179.444 176.870 -0.060 0.000 1.077 123 L CA 2.022 56.861 54.840 -0.002 0.000 0.747 123 L CB -0.602 41.549 42.059 0.152 0.000 0.896 123 L HN 0.165 nan 8.230 nan 0.000 0.432 124 A N -0.931 121.812 122.820 -0.129 0.000 1.898 124 A HA -0.205 4.125 4.320 0.017 0.000 0.216 124 A C 2.161 179.658 177.584 -0.143 0.000 1.181 124 A CA 1.762 53.711 52.037 -0.146 0.000 0.620 124 A CB -0.601 18.264 19.000 -0.225 0.000 0.819 124 A HN 0.609 nan 8.150 nan 0.000 0.442 125 E N -0.975 119.062 120.200 -0.271 0.000 2.150 125 E HA -0.153 4.207 4.350 0.017 0.000 0.193 125 E C 2.273 178.667 176.600 -0.343 0.000 0.985 125 E CA 0.911 57.133 56.400 -0.297 0.000 0.814 125 E CB -0.104 29.364 29.700 -0.388 0.000 0.752 125 E HN 0.590 nan 8.360 nan 0.000 0.466 126 R N -0.163 120.014 120.500 -0.539 0.000 2.075 126 R HA -0.082 4.268 4.340 0.017 0.000 0.226 126 R C 1.150 177.015 176.300 -0.726 0.000 1.114 126 R CA 1.165 56.767 56.100 -0.831 0.000 0.972 126 R CB 0.168 29.554 30.300 -1.524 0.000 0.869 126 R HN 0.177 nan 8.270 nan 0.000 0.437 127 Y N -1.559 118.622 120.300 -0.199 0.000 2.444 127 Y HA 0.350 4.910 4.550 0.016 0.000 0.249 127 Y C 1.916 177.806 175.900 -0.016 0.000 1.134 127 Y CA 0.064 58.093 58.100 -0.119 0.000 1.261 127 Y CB 0.042 38.426 38.460 -0.126 0.000 1.143 127 Y HN 0.151 nan 8.280 nan 0.000 0.523 128 G N 0.181 109.074 108.800 0.155 0.000 2.479 128 G HA2 -0.187 3.783 3.960 0.017 0.000 0.220 128 G HA3 -0.187 3.783 3.960 0.017 0.000 0.220 128 G C 1.743 176.695 174.900 0.087 0.000 1.115 128 G CA 1.121 46.331 45.100 0.184 0.000 0.757 128 G HN 0.507 nan 8.290 nan 0.000 0.560 129 G N -0.433 108.383 108.800 0.027 0.000 3.126 129 G HA2 0.400 4.370 3.960 0.017 0.000 0.224 129 G HA3 0.400 4.370 3.960 0.017 0.000 0.224 129 G C 0.444 175.342 174.900 -0.003 0.000 1.142 129 G CA -0.546 44.556 45.100 0.005 0.000 0.759 129 G HN 0.324 nan 8.290 nan 0.000 0.550 130 L N 0.730 121.955 121.223 0.004 0.000 2.380 130 L HA 0.228 4.578 4.340 0.017 0.000 0.273 130 L C 1.652 178.504 176.870 -0.031 0.000 1.138 130 L CA -0.469 54.365 54.840 -0.011 0.000 0.832 130 L CB 1.496 43.556 42.059 0.002 0.000 1.124 130 L HN 0.102 nan 8.230 nan 0.000 0.454 131 E N 2.519 122.701 120.200 -0.030 0.000 2.153 131 E HA -0.173 4.188 4.350 0.017 0.000 0.194 131 E C 1.913 178.481 176.600 -0.053 0.000 0.988 131 E CA 1.554 57.935 56.400 -0.033 0.000 0.811 131 E CB 0.182 29.866 29.700 -0.026 0.000 0.746 131 E HN 0.756 nan 8.360 nan 0.000 0.466 132 A N -0.015 122.765 122.820 -0.068 0.000 2.015 132 A HA -0.005 4.325 4.320 0.017 0.000 0.219 132 A C 0.914 178.419 177.584 -0.130 0.000 1.163 132 A CA 0.633 52.613 52.037 -0.096 0.000 0.646 132 A CB -0.020 18.919 19.000 -0.101 0.000 0.806 132 A HN 0.084 nan 8.150 nan 0.000 0.448 133 V N 0.245 120.069 119.914 -0.150 0.000 2.408 133 V HA 0.373 4.503 4.120 0.017 0.000 0.267 133 V C 1.336 177.297 176.094 -0.222 0.000 1.047 133 V CA 0.263 62.416 62.300 -0.245 0.000 0.937 133 V CB 0.736 32.372 31.823 -0.311 0.000 0.999 133 V HN 0.446 nan 8.190 nan 0.000 0.472 134 A N 4.070 126.756 122.820 -0.223 0.000 1.943 134 A HA 0.639 4.969 4.320 0.017 0.000 0.213 134 A C 1.113 178.330 177.584 -0.610 0.000 1.181 134 A CA 1.039 52.990 52.037 -0.142 0.000 0.653 134 A CB 0.016 19.154 19.000 0.230 0.000 0.833 134 A HN 1.134 nan 8.150 nan 0.000 0.451 135 G N -2.550 105.605 108.800 -1.075 0.000 2.427 135 G HA2 0.487 4.457 3.960 0.017 0.000 0.306 135 G HA3 0.487 4.457 3.960 0.017 0.000 0.306 135 G C -1.562 172.644 174.900 -1.157 0.000 1.280 135 G CA -0.678 43.444 45.100 -1.629 0.000 0.837 135 G HN 0.140 nan 8.290 nan 0.000 0.482 136 F N -0.204 119.366 119.950 -0.634 0.000 2.603 136 F HA 0.715 5.252 4.527 0.017 0.000 0.317 136 F C 0.113 175.838 175.800 -0.125 0.000 1.066 136 F CA -0.733 57.108 58.000 -0.265 0.000 0.941 136 F CB 2.678 41.559 39.000 -0.199 0.000 1.291 136 F HN 0.484 nan 8.300 nan 0.000 0.472 137 Q N 1.435 121.284 119.800 0.082 0.000 2.331 137 Q HA 0.441 4.792 4.340 0.017 0.000 0.267 137 Q C -1.099 174.906 176.000 0.009 0.000 1.006 137 Q CA -0.771 55.024 55.803 -0.014 0.000 0.818 137 Q CB 1.762 30.449 28.738 -0.084 0.000 1.276 137 Q HN 0.817 nan 8.270 nan 0.000 0.450 138 T N 1.557 116.122 114.554 0.020 0.000 2.794 138 T HA 0.148 4.509 4.350 0.017 0.000 0.296 138 T C 0.408 175.111 174.700 0.005 0.000 0.949 138 T CA -0.340 61.785 62.100 0.042 0.000 1.101 138 T CB 0.886 69.809 68.868 0.091 0.000 0.905 138 T HN 0.901 nan 8.240 nan 0.000 0.516 139 D N 2.220 122.629 120.400 0.015 0.000 3.245 139 D HA -0.269 4.382 4.640 0.017 0.000 0.196 139 D C -0.280 175.961 176.300 -0.098 0.000 1.370 139 D CA 1.181 55.193 54.000 0.020 0.000 1.087 139 D CB -0.590 40.238 40.800 0.047 0.000 0.612 139 D HN 0.914 nan 8.370 nan 0.000 0.704 140 N N 0.376 119.023 118.700 -0.089 0.000 2.697 140 N HA 0.215 4.965 4.740 0.017 0.000 0.271 140 N C -1.692 173.768 175.510 -0.083 0.000 1.149 140 N CA 0.135 53.095 53.050 -0.151 0.000 0.939 140 N CB 0.878 39.272 38.487 -0.155 0.000 1.534 140 N HN 0.423 nan 8.380 nan 0.000 0.556 141 E N 1.956 122.011 120.200 -0.241 0.000 2.273 141 E HA -0.273 4.087 4.350 0.017 0.000 0.177 141 E C -0.875 175.777 176.600 0.087 0.000 1.511 141 E CA 0.571 56.901 56.400 -0.117 0.000 0.675 141 E CB -0.926 28.666 29.700 -0.180 0.000 1.094 141 E HN 0.429 nan 8.360 nan 0.000 0.348 142 Y N 0.590 121.111 120.300 0.369 0.000 2.810 142 Y HA 0.062 4.622 4.550 0.017 0.000 0.332 142 Y C 1.871 177.806 175.900 0.059 0.000 1.243 142 Y CA 1.582 59.818 58.100 0.227 0.000 1.537 142 Y CB 0.420 38.925 38.460 0.074 0.000 1.265 142 Y HN 0.532 nan 8.280 nan 0.000 0.572 143 G N 0.548 109.494 108.800 0.244 0.000 2.241 143 G HA2 -0.336 3.634 3.960 0.017 0.000 0.244 143 G HA3 -0.336 3.634 3.960 0.017 0.000 0.244 143 G C 0.507 175.308 174.900 -0.166 0.000 0.998 143 G CA -0.326 44.844 45.100 0.116 0.000 0.621 143 G HN 0.895 nan 8.290 nan 0.000 0.519 144 C N 1.994 121.084 119.300 -0.349 0.000 2.665 144 C HA 0.429 4.899 4.460 0.017 0.000 0.416 144 C C 1.750 176.542 174.990 -0.330 0.000 1.305 144 C CA 1.120 59.821 59.018 -0.529 0.000 1.903 144 C CB -0.878 26.473 27.740 -0.647 0.000 2.704 144 C HN 0.906 nan 8.230 nan 0.000 0.629 145 H N 1.887 120.914 119.070 -0.072 0.000 2.903 145 H HA -0.157 4.409 4.556 0.017 0.000 0.285 145 H C 0.494 175.846 175.328 0.039 0.000 1.231 145 H CA 1.352 57.387 56.048 -0.021 0.000 1.135 145 H CB -1.979 27.752 29.762 -0.052 0.000 1.328 145 H HN 1.056 nan 8.280 nan 0.000 0.388 146 D N -0.069 120.432 120.400 0.167 0.000 2.705 146 D HA -0.144 4.506 4.640 0.017 0.000 0.240 146 D C 0.947 177.336 176.300 0.148 0.000 1.137 146 D CA 1.555 55.670 54.000 0.192 0.000 0.677 146 D CB -1.100 39.797 40.800 0.161 0.000 1.049 146 D HN 0.772 nan 8.370 nan 0.000 0.427 147 T N -4.323 110.315 114.554 0.140 0.000 3.092 147 T HA 0.274 4.635 4.350 0.017 0.000 0.258 147 T C 1.813 176.603 174.700 0.150 0.000 1.031 147 T CA 0.432 62.584 62.100 0.088 0.000 0.925 147 T CB 0.502 69.365 68.868 -0.010 0.000 1.036 147 T HN 0.042 nan 8.240 nan 0.000 0.544 148 V N 1.137 121.124 119.914 0.121 0.000 2.379 148 V HA 0.125 4.255 4.120 0.017 0.000 0.245 148 V C 1.278 177.274 176.094 -0.164 0.000 1.044 148 V CA 1.072 63.340 62.300 -0.053 0.000 1.036 148 V CB -0.389 31.372 31.823 -0.104 0.000 0.664 148 V HN 0.416 nan 8.190 nan 0.000 0.453 149 R N -0.454 119.962 120.500 -0.141 0.000 2.198 149 R HA 0.454 4.804 4.340 0.017 0.000 0.339 149 R C -0.693 175.499 176.300 -0.180 0.000 1.020 149 R CA -0.020 55.949 56.100 -0.219 0.000 0.864 149 R CB 1.156 31.386 30.300 -0.117 0.000 1.105 149 R HN 0.401 nan 8.270 nan 0.000 0.463 150 C N 3.469 122.614 119.300 -0.258 0.000 2.493 150 C HA 0.508 4.978 4.460 0.017 0.000 0.326 150 C C -0.326 174.422 174.990 -0.403 0.000 1.200 150 C CA -0.696 58.216 59.018 -0.177 0.000 1.739 150 C CB 0.515 28.234 27.740 -0.035 0.000 2.300 150 C HN 0.959 nan 8.230 nan 0.000 0.500 151 Y N 3.276 123.561 120.300 -0.024 0.000 2.716 151 Y HA 0.266 4.825 4.550 0.014 0.000 0.260 151 Y C 1.411 177.282 175.900 -0.049 0.000 1.141 151 Y CA -0.628 57.365 58.100 -0.178 0.000 1.168 151 Y CB -0.282 37.854 38.460 -0.540 0.000 1.189 151 Y HN 0.903 nan 8.280 nan 0.000 0.549 152 C N -1.372 117.995 119.300 0.112 0.000 2.553 152 C HA 0.329 4.799 4.460 0.017 0.000 0.345 152 C C -0.785 174.279 174.990 0.124 0.000 1.369 152 C CA -1.575 57.515 59.018 0.119 0.000 2.447 152 C CB 1.681 29.481 27.740 0.100 0.000 2.358 152 C HN 0.210 nan 8.230 nan 0.000 0.676 153 P HA -0.091 nan 4.420 nan 0.000 0.216 153 P C 1.748 179.124 177.300 0.127 0.000 1.150 153 P CA 1.543 64.714 63.100 0.119 0.000 0.837 153 P CB -0.115 31.648 31.700 0.104 0.000 0.786 154 R N -0.992 119.586 120.500 0.129 0.000 2.096 154 R HA -0.065 4.285 4.340 0.017 0.000 0.235 154 R C 2.291 178.707 176.300 0.193 0.000 1.127 154 R CA 1.116 57.303 56.100 0.146 0.000 0.968 154 R CB -1.757 28.626 30.300 0.139 0.000 0.861 154 R HN 0.274 nan 8.270 nan 0.000 0.440 155 C N 0.284 119.706 119.300 0.203 0.000 2.457 155 C HA -0.043 4.428 4.460 0.017 0.000 0.278 155 C C 2.777 177.898 174.990 0.218 0.000 1.309 155 C CA 0.425 59.623 59.018 0.300 0.000 1.735 155 C CB -0.670 27.226 27.740 0.260 0.000 1.992 155 C HN 0.535 nan 8.230 nan 0.000 0.493 156 Q N 1.309 121.205 119.800 0.161 0.000 2.084 156 Q HA -0.209 4.141 4.340 0.017 0.000 0.202 156 Q C 2.201 178.293 176.000 0.154 0.000 0.978 156 Q CA 2.108 58.006 55.803 0.158 0.000 0.844 156 Q CB -0.096 28.735 28.738 0.154 0.000 0.898 156 Q HN 0.830 nan 8.270 nan 0.000 0.426 157 E N -0.558 119.725 120.200 0.138 0.000 2.107 157 E HA -0.125 4.235 4.350 0.017 0.000 0.191 157 E C 1.891 178.559 176.600 0.113 0.000 0.982 157 E CA 0.893 57.362 56.400 0.115 0.000 0.809 157 E CB -0.298 29.466 29.700 0.108 0.000 0.756 157 E HN 0.376 nan 8.360 nan 0.000 0.459 158 A N 1.161 124.082 122.820 0.168 0.000 1.969 158 A HA -0.107 4.223 4.320 0.017 0.000 0.218 158 A C 1.952 179.585 177.584 0.082 0.000 1.169 158 A CA 0.990 53.168 52.037 0.235 0.000 0.635 158 A CB -0.770 18.503 19.000 0.456 0.000 0.810 158 A HN 0.372 nan 8.150 nan 0.000 0.445 159 F N 1.013 120.665 119.950 -0.496 0.000 2.171 159 F HA -0.130 4.406 4.527 0.015 0.000 0.300 159 F C 2.251 177.934 175.800 -0.195 0.000 1.090 159 F CA 1.539 59.007 58.000 -0.886 0.000 1.293 159 F CB -0.382 38.153 39.000 -0.776 0.000 1.013 159 F HN 0.152 nan 8.300 nan 0.000 0.486 160 R N -0.311 120.107 120.500 -0.137 0.000 2.081 160 R HA -0.091 4.259 4.340 0.017 0.000 0.235 160 R C 2.601 178.772 176.300 -0.215 0.000 1.131 160 R CA 1.216 57.212 56.100 -0.174 0.000 0.960 160 R CB -1.213 29.067 30.300 -0.033 0.000 0.856 160 R HN 0.450 nan 8.270 nan 0.000 0.436 161 G N -0.023 108.725 108.800 -0.087 0.000 2.402 161 G HA2 -0.286 3.684 3.960 0.017 0.000 0.216 161 G HA3 -0.286 3.684 3.960 0.017 0.000 0.216 161 G C 1.134 175.990 174.900 -0.074 0.000 1.162 161 G CA 0.412 45.461 45.100 -0.085 0.000 0.777 161 G HN 0.445 nan 8.290 nan 0.000 0.539 162 W N 1.116 122.334 121.300 -0.136 0.000 2.358 162 W HA 0.010 4.680 4.660 0.017 0.000 0.303 162 W C 2.323 178.732 176.519 -0.183 0.000 1.208 162 W CA 1.168 58.483 57.345 -0.051 0.000 1.274 162 W CB -0.168 29.398 29.460 0.177 0.000 1.138 162 W HN 0.117 nan 8.180 nan 0.000 0.515 163 L N 0.148 121.356 121.223 -0.025 0.000 2.046 163 L HA -0.205 4.145 4.340 0.017 0.000 0.208 163 L C 2.469 179.063 176.870 -0.459 0.000 1.077 163 L CA 1.970 56.741 54.840 -0.115 0.000 0.747 163 L CB -0.986 40.997 42.059 -0.126 0.000 0.896 163 L HN 0.064 nan 8.230 nan 0.000 0.432 164 E N 0.298 119.916 120.200 -0.970 0.000 2.106 164 E HA -0.215 4.145 4.350 0.017 0.000 0.192 164 E C 2.191 178.467 176.600 -0.540 0.000 0.984 164 E CA 1.100 56.750 56.400 -1.249 0.000 0.806 164 E CB 0.039 29.030 29.700 -1.182 0.000 0.750 164 E HN 0.446 nan 8.360 nan 0.000 0.458 165 A N 1.093 123.642 122.820 -0.451 0.000 1.930 165 A HA -0.138 4.192 4.320 0.017 0.000 0.217 165 A C 2.172 179.499 177.584 -0.429 0.000 1.175 165 A CA 1.336 53.154 52.037 -0.365 0.000 0.627 165 A CB -0.408 18.391 19.000 -0.335 0.000 0.815 165 A HN 0.188 nan 8.150 nan 0.000 0.443 166 R N -2.128 118.004 120.500 -0.614 0.000 2.075 166 R HA -0.082 4.269 4.340 0.017 0.000 0.226 166 R C 1.506 177.420 176.300 -0.644 0.000 1.114 166 R CA 1.597 57.241 56.100 -0.760 0.000 0.972 166 R CB -0.207 29.384 30.300 -1.180 0.000 0.869 166 R HN 0.564 nan 8.270 nan 0.000 0.437 167 Y N -1.234 118.965 120.300 -0.168 0.000 2.509 167 Y HA 0.286 4.845 4.550 0.016 0.000 0.270 167 Y C 1.785 177.684 175.900 -0.001 0.000 1.103 167 Y CA 0.601 58.675 58.100 -0.043 0.000 1.278 167 Y CB 0.649 39.127 38.460 0.030 0.000 1.087 167 Y HN 0.406 nan 8.280 nan 0.000 0.542 168 G N 0.206 109.058 108.800 0.087 0.000 3.444 168 G HA2 -0.334 3.636 3.960 0.017 0.000 0.222 168 G HA3 -0.334 3.636 3.960 0.017 0.000 0.222 168 G C 0.543 175.572 174.900 0.215 0.000 1.358 168 G CA 0.668 45.811 45.100 0.072 0.000 0.880 168 G HN 0.539 nan 8.290 nan 0.000 0.555 169 T N -2.054 112.656 114.554 0.260 0.000 2.907 169 T HA 0.680 5.040 4.350 0.017 0.000 0.292 169 T C 1.022 175.700 174.700 -0.036 0.000 1.043 169 T CA 0.114 62.318 62.100 0.172 0.000 1.003 169 T CB 2.180 71.069 68.868 0.035 0.000 1.084 169 T HN 0.854 nan 8.240 nan 0.000 0.483 170 I N 0.937 121.225 120.570 -0.471 0.000 2.493 170 I HA 0.015 4.195 4.170 0.017 0.000 0.254 170 I C 2.008 177.865 176.117 -0.435 0.000 1.160 170 I CA 1.458 62.255 61.300 -0.838 0.000 1.445 170 I CB -0.584 36.910 38.000 -0.844 0.000 1.086 170 I HN 0.788 nan 8.210 nan 0.000 0.433 171 E N 0.758 120.808 120.200 -0.251 0.000 2.077 171 E HA -0.161 4.199 4.350 0.017 0.000 0.193 171 E C 2.298 178.799 176.600 -0.165 0.000 0.989 171 E CA 1.575 57.873 56.400 -0.170 0.000 0.800 171 E CB -0.646 28.994 29.700 -0.099 0.000 0.746 171 E HN 0.570 nan 8.360 nan 0.000 0.452 172 A N 0.580 123.324 122.820 -0.127 0.000 1.930 172 A HA -0.116 4.214 4.320 0.017 0.000 0.217 172 A C 2.206 179.613 177.584 -0.295 0.000 1.175 172 A CA 1.212 53.199 52.037 -0.082 0.000 0.627 172 A CB -0.645 18.402 19.000 0.078 0.000 0.815 172 A HN 0.313 nan 8.150 nan 0.000 0.443 173 L N -0.381 120.509 121.223 -0.555 0.000 2.027 173 L HA -0.174 4.176 4.340 0.017 0.000 0.206 173 L C 2.088 178.490 176.870 -0.781 0.000 1.074 173 L CA 1.695 55.849 54.840 -1.143 0.000 0.745 173 L CB -0.432 40.922 42.059 -1.175 0.000 0.898 173 L HN 0.314 nan 8.230 nan 0.000 0.433 174 N N 0.119 118.545 118.700 -0.456 0.000 2.149 174 N HA -0.274 4.476 4.740 0.017 0.000 0.188 174 N C 1.706 177.146 175.510 -0.117 0.000 1.019 174 N CA 1.768 54.685 53.050 -0.221 0.000 0.857 174 N CB -0.177 38.216 38.487 -0.157 0.000 0.997 174 N HN 0.552 nan 8.380 nan 0.000 0.426 175 E N 0.577 120.701 120.200 -0.126 0.000 2.072 175 E HA -0.039 4.321 4.350 0.017 0.000 0.190 175 E C 1.849 178.453 176.600 0.007 0.000 0.982 175 E CA 0.829 57.203 56.400 -0.043 0.000 0.803 175 E CB 0.008 29.688 29.700 -0.034 0.000 0.755 175 E HN 0.281 nan 8.360 nan 0.000 0.453 176 A N 0.594 123.396 122.820 -0.028 0.000 1.902 176 A HA -0.170 4.160 4.320 0.017 0.000 0.217 176 A C 1.590 179.354 177.584 0.301 0.000 1.181 176 A CA 1.328 53.438 52.037 0.122 0.000 0.623 176 A CB -0.875 18.184 19.000 0.099 0.000 0.818 176 A HN 0.479 nan 8.150 nan 0.000 0.443 177 W N -1.131 120.133 121.300 -0.060 0.000 3.003 177 W HA 0.364 5.032 4.660 0.015 0.000 0.257 177 W C 1.540 178.041 176.519 -0.030 0.000 1.308 177 W CA 0.158 57.493 57.345 -0.018 0.000 1.529 177 W CB -0.978 28.478 29.460 -0.007 0.000 1.115 177 W HN 0.621 nan 8.180 nan 0.000 0.659 178 G N 0.966 109.870 108.800 0.173 0.000 2.298 178 G HA2 -0.339 3.631 3.960 0.017 0.000 0.287 178 G HA3 -0.339 3.631 3.960 0.017 0.000 0.287 178 G C 0.911 175.882 174.900 0.119 0.000 1.075 178 G CA 0.811 45.963 45.100 0.087 0.000 0.960 178 G HN 0.285 nan 8.290 nan 0.000 0.502 179 T N -3.393 111.238 114.554 0.128 0.000 3.155 179 T HA 0.336 4.696 4.350 0.017 0.000 0.264 179 T C 2.326 177.060 174.700 0.056 0.000 1.160 179 T CA 1.323 63.487 62.100 0.106 0.000 1.075 179 T CB 0.135 69.029 68.868 0.043 0.000 0.921 179 T HN 1.447 nan 8.240 nan 0.000 0.533 180 A N 0.849 123.707 122.820 0.063 0.000 2.015 180 A HA 0.233 4.564 4.320 0.017 0.000 0.219 180 A C 0.714 178.348 177.584 0.084 0.000 1.163 180 A CA -0.065 51.999 52.037 0.045 0.000 0.646 180 A CB -0.788 18.237 19.000 0.042 0.000 0.806 180 A HN 0.641 nan 8.150 nan 0.000 0.448 181 F N -0.524 119.398 119.950 -0.046 0.000 2.543 181 F HA 0.238 4.775 4.527 0.016 0.000 0.375 181 F C 0.022 175.842 175.800 0.033 0.000 1.075 181 F CA -0.014 57.927 58.000 -0.098 0.000 1.225 181 F CB 0.106 38.951 39.000 -0.259 0.000 1.099 181 F HN 0.417 nan 8.300 nan 0.000 0.561 182 W N 4.229 125.165 121.300 -0.606 0.000 5.271 182 W HA -0.304 4.365 4.660 0.016 0.000 0.364 182 W C 1.049 177.450 176.519 -0.196 0.000 1.342 182 W CA 0.637 57.728 57.345 -0.424 0.000 0.899 182 W CB -2.568 26.663 29.460 -0.382 0.000 2.450 182 W HN 0.666 nan 8.180 nan 0.000 1.508 183 S N -1.271 114.450 115.700 0.034 0.000 3.559 183 S HA -0.292 4.188 4.470 0.017 0.000 0.369 183 S C 1.256 175.824 174.600 -0.054 0.000 0.987 183 S CA 1.426 59.615 58.200 -0.018 0.000 1.187 183 S CB -0.953 62.226 63.200 -0.036 0.000 0.914 183 S HN 0.656 nan 8.310 nan 0.000 0.480 184 Q N -0.222 119.550 119.800 -0.047 0.000 2.451 184 Q HA 0.096 4.446 4.340 0.017 0.000 0.206 184 Q C 0.987 176.665 176.000 -0.536 0.000 0.947 184 Q CA 0.022 55.715 55.803 -0.182 0.000 0.937 184 Q CB 0.184 28.929 28.738 0.012 0.000 1.025 184 Q HN 0.556 nan 8.270 nan 0.000 0.511 185 R N 0.873 121.177 120.500 -0.326 0.000 2.500 185 R HA -0.118 4.232 4.340 0.017 0.000 0.281 185 R C -1.230 174.785 176.300 -0.474 0.000 0.953 185 R CA 0.567 56.471 56.100 -0.326 0.000 1.108 185 R CB 0.233 30.436 30.300 -0.161 0.000 0.901 185 R HN -0.008 nan 8.270 nan 0.000 0.410 186 Y N 3.366 123.595 120.300 -0.118 0.000 2.387 186 Y HA 0.290 4.849 4.550 0.016 0.000 0.336 186 Y C 1.156 176.948 175.900 -0.181 0.000 1.067 186 Y CA -0.814 57.196 58.100 -0.151 0.000 1.114 186 Y CB 1.746 40.066 38.460 -0.233 0.000 1.208 186 Y HN 0.507 nan 8.280 nan 0.000 0.458 187 R N 0.811 121.315 120.500 0.007 0.000 2.210 187 R HA 0.124 4.474 4.340 0.017 0.000 0.203 187 R C -0.167 176.071 176.300 -0.103 0.000 1.010 187 R CA 0.796 56.864 56.100 -0.053 0.000 1.008 187 R CB 0.250 30.532 30.300 -0.030 0.000 0.923 187 R HN 0.710 nan 8.270 nan 0.000 0.469 188 S N -2.220 113.408 115.700 -0.119 0.000 2.611 188 S HA 0.210 4.690 4.470 0.017 0.000 0.268 188 S C 0.063 174.503 174.600 -0.265 0.000 1.156 188 S CA -0.888 57.188 58.200 -0.206 0.000 0.817 188 S CB 0.221 63.383 63.200 -0.062 0.000 1.122 188 S HN -0.051 nan 8.310 nan 0.000 0.466 189 F N 1.071 120.947 119.950 -0.124 0.000 2.365 189 F HA 0.160 4.696 4.527 0.015 0.000 0.300 189 F C 2.747 178.462 175.800 -0.142 0.000 1.090 189 F CA 1.219 59.104 58.000 -0.191 0.000 1.408 189 F CB -0.678 38.223 39.000 -0.165 0.000 1.060 189 F HN 0.820 nan 8.300 nan 0.000 0.534 190 A N -0.270 122.599 122.820 0.082 0.000 2.067 190 A HA -0.147 4.183 4.320 0.017 0.000 0.219 190 A C 2.018 179.631 177.584 0.049 0.000 1.158 190 A CA 1.348 53.423 52.037 0.063 0.000 0.661 190 A CB -0.574 18.462 19.000 0.060 0.000 0.801 190 A HN 0.434 nan 8.150 nan 0.000 0.452 191 E N -0.373 119.846 120.200 0.032 0.000 2.442 191 E HA 0.084 4.444 4.350 0.017 0.000 0.195 191 E C -0.406 176.235 176.600 0.068 0.000 1.030 191 E CA -0.165 56.297 56.400 0.104 0.000 0.869 191 E CB 0.196 30.018 29.700 0.204 0.000 0.857 191 E HN 0.367 nan 8.360 nan 0.000 0.505 192 V N 2.254 122.062 119.914 -0.178 0.000 2.530 192 V HA 0.084 4.214 4.120 0.017 0.000 0.282 192 V C 0.291 176.417 176.094 0.053 0.000 1.048 192 V CA 0.258 62.358 62.300 -0.334 0.000 0.997 192 V CB 1.150 32.657 31.823 -0.527 0.000 0.987 192 V HN 0.076 nan 8.190 nan 0.000 0.477 193 E N 2.884 123.214 120.200 0.217 0.000 2.334 193 E HA 0.591 4.951 4.350 0.017 0.000 0.256 193 E C -0.887 175.978 176.600 0.443 0.000 0.958 193 E CA -1.042 55.539 56.400 0.301 0.000 0.821 193 E CB 1.818 31.670 29.700 0.254 0.000 1.269 193 E HN 0.468 nan 8.360 nan 0.000 0.413 194 L N 2.464 123.857 121.223 0.283 0.000 2.439 194 L HA 0.183 4.533 4.340 0.017 0.000 0.269 194 L C -1.787 175.096 176.870 0.022 0.000 1.179 194 L CA -1.439 53.426 54.840 0.041 0.000 0.828 194 L CB 0.113 42.090 42.059 -0.136 0.000 1.106 194 L HN 0.299 nan 8.230 nan 0.000 0.467 195 P HA 0.129 nan 4.420 nan 0.000 0.225 195 P C -1.272 175.906 177.300 -0.203 0.000 1.813 195 P CA 0.026 62.805 63.100 -0.535 0.000 1.013 195 P CB -0.512 30.568 31.700 -1.033 0.000 1.961 196 H N -1.213 117.706 119.070 -0.253 0.000 3.016 196 H HA 0.479 5.044 4.556 0.014 0.000 0.362 196 H C 0.266 175.492 175.328 -0.169 0.000 1.233 196 H CA -1.158 54.735 56.048 -0.258 0.000 1.124 196 H CB 0.904 30.376 29.762 -0.483 0.000 1.850 196 H HN -0.140 nan 8.280 nan 0.000 0.549 197 L N 0.031 121.078 121.223 -0.293 0.000 4.179 197 L HA -0.260 4.090 4.340 0.017 0.000 0.418 197 L C 0.268 177.032 176.870 -0.178 0.000 1.168 197 L CA 0.910 55.577 54.840 -0.288 0.000 0.972 197 L CB -2.356 39.428 42.059 -0.459 0.000 2.005 197 L HN 1.007 nan 8.230 nan 0.000 0.935 198 T N -2.992 111.494 114.554 -0.112 0.000 2.828 198 T HA 0.515 4.875 4.350 0.017 0.000 0.290 198 T C 0.350 175.025 174.700 -0.041 0.000 1.019 198 T CA -0.741 61.331 62.100 -0.048 0.000 1.031 198 T CB 2.043 70.913 68.868 0.004 0.000 1.001 198 T HN 0.031 nan 8.240 nan 0.000 0.531 199 V N 2.660 122.554 119.914 -0.034 0.000 2.406 199 V HA 0.626 4.756 4.120 0.017 0.000 0.272 199 V C 0.897 176.965 176.094 -0.043 0.000 1.043 199 V CA 0.354 62.622 62.300 -0.054 0.000 0.915 199 V CB -0.656 31.119 31.823 -0.080 0.000 0.988 199 V HN 1.592 nan 8.190 nan 0.000 0.466 200 A N 4.989 127.791 122.820 -0.029 0.000 6.581 200 A HA -0.076 4.254 4.320 0.017 0.000 0.228 200 A C -0.098 177.541 177.584 0.092 0.000 2.346 200 A CA -0.045 52.004 52.037 0.020 0.000 0.681 200 A CB -1.016 17.951 19.000 -0.055 0.000 0.930 200 A HN 0.844 nan 8.150 nan 0.000 0.360 201 E N 1.436 121.739 120.200 0.172 0.000 2.366 201 E HA 0.565 4.925 4.350 0.017 0.000 0.266 201 E C -1.802 174.879 176.600 0.134 0.000 1.051 201 E CA -0.709 55.764 56.400 0.122 0.000 0.884 201 E CB 0.126 29.886 29.700 0.100 0.000 1.006 201 E HN 0.621 nan 8.360 nan 0.000 0.417 202 P HA 0.040 nan 4.420 nan 0.000 0.276 202 P C -0.373 176.885 177.300 -0.071 0.000 1.252 202 P CA -0.557 62.529 63.100 -0.022 0.000 0.802 202 P CB 0.595 32.193 31.700 -0.170 0.000 1.035 203 N N 2.113 120.784 118.700 -0.049 0.000 2.447 203 N HA 0.000 4.750 4.740 0.017 0.000 0.263 203 N C -1.201 174.094 175.510 -0.357 0.000 1.226 203 N CA -1.479 51.472 53.050 -0.165 0.000 0.906 203 N CB 0.367 38.813 38.487 -0.068 0.000 1.060 203 N HN 0.237 nan 8.380 nan 0.000 0.468 204 P HA -0.107 nan 4.420 nan 0.000 0.216 204 P C 0.947 177.821 177.300 -0.710 0.000 1.150 204 P CA 1.175 63.776 63.100 -0.831 0.000 0.837 204 P CB 0.282 31.102 31.700 -1.466 0.000 0.786 205 S N -1.124 114.237 115.700 -0.565 0.000 2.383 205 S HA -0.182 4.298 4.470 0.017 0.000 0.227 205 S C 2.006 176.218 174.600 -0.646 0.000 1.026 205 S CA 0.991 58.982 58.200 -0.348 0.000 0.981 205 S CB -1.290 61.709 63.200 -0.334 0.000 0.818 205 S HN 0.430 nan 8.310 nan 0.000 0.472 206 H N 0.241 118.603 119.070 -1.180 0.000 2.321 206 H HA -0.032 4.533 4.556 0.016 0.000 0.300 206 H C 2.247 177.297 175.328 -0.464 0.000 1.087 206 H CA 1.227 56.515 56.048 -1.268 0.000 1.319 206 H CB -0.113 29.068 29.762 -0.968 0.000 1.379 206 H HN 0.221 nan 8.280 nan 0.000 0.501 207 L N 0.646 121.642 121.223 -0.380 0.000 2.056 207 L HA -0.108 4.242 4.340 0.017 0.000 0.207 207 L C 2.337 178.909 176.870 -0.496 0.000 1.078 207 L CA 1.129 55.674 54.840 -0.491 0.000 0.749 207 L CB -0.739 41.014 42.059 -0.510 0.000 0.901 207 L HN 0.366 nan 8.230 nan 0.000 0.433 208 L N -0.601 120.516 121.223 -0.176 0.000 2.046 208 L HA -0.191 4.159 4.340 0.017 0.000 0.208 208 L C 1.994 178.922 176.870 0.097 0.000 1.077 208 L CA 1.868 56.749 54.840 0.068 0.000 0.747 208 L CB -0.964 41.333 42.059 0.397 0.000 0.896 208 L HN 0.264 nan 8.230 nan 0.000 0.432 209 D N -1.633 118.899 120.400 0.219 0.000 2.144 209 D HA -0.239 4.411 4.640 0.017 0.000 0.199 209 D C 1.965 178.345 176.300 0.133 0.000 0.984 209 D CA 1.395 55.639 54.000 0.406 0.000 0.834 209 D CB -0.232 41.097 40.800 0.882 0.000 0.955 209 D HN 0.524 nan 8.370 nan 0.000 0.465 210 Y N 0.436 120.672 120.300 -0.107 0.000 2.200 210 Y HA -0.271 4.290 4.550 0.018 0.000 0.290 210 Y C 1.841 177.555 175.900 -0.310 0.000 1.137 210 Y CA 1.388 59.187 58.100 -0.501 0.000 1.163 210 Y CB -0.499 37.543 38.460 -0.697 0.000 0.988 210 Y HN -0.047 nan 8.280 nan 0.000 0.518 211 Y N 0.531 120.460 120.300 -0.618 0.000 2.242 211 Y HA -0.128 4.431 4.550 0.016 0.000 0.291 211 Y C 2.580 177.761 175.900 -1.199 0.000 1.137 211 Y CA 1.251 58.755 58.100 -0.993 0.000 1.181 211 Y CB -0.920 36.978 38.460 -0.937 0.000 0.989 211 Y HN 0.135 nan 8.280 nan 0.000 0.527 212 R N -0.915 119.216 120.500 -0.615 0.000 2.073 212 R HA -0.179 4.171 4.340 0.017 0.000 0.234 212 R C 2.213 178.217 176.300 -0.494 0.000 1.134 212 R CA 1.711 57.590 56.100 -0.367 0.000 0.952 212 R CB -0.888 29.509 30.300 0.162 0.000 0.850 212 R HN 0.318 nan 8.270 nan 0.000 0.433 213 F N 1.583 120.906 119.950 -1.045 0.000 2.095 213 F HA -0.205 4.331 4.527 0.016 0.000 0.298 213 F C 2.190 177.559 175.800 -0.718 0.000 1.104 213 F CA 1.459 58.708 58.000 -1.253 0.000 1.232 213 F CB -0.591 37.727 39.000 -1.138 0.000 0.987 213 F HN -0.008 nan 8.300 nan 0.000 0.475 214 A N -0.490 121.653 122.820 -1.127 0.000 1.883 214 A HA -0.228 4.102 4.320 0.017 0.000 0.217 214 A C 2.415 179.510 177.584 -0.817 0.000 1.186 214 A CA 2.164 53.538 52.037 -1.105 0.000 0.624 214 A CB -1.588 16.815 19.000 -0.996 0.000 0.822 214 A HN 0.521 nan 8.150 nan 0.000 0.444 215 S N -0.465 114.839 115.700 -0.660 0.000 2.368 215 S HA -0.184 4.296 4.470 0.017 0.000 0.225 215 S C 1.670 176.077 174.600 -0.321 0.000 1.030 215 S CA 1.695 59.658 58.200 -0.396 0.000 0.999 215 S CB -0.541 62.580 63.200 -0.131 0.000 0.844 215 S HN 0.550 nan 8.310 nan 0.000 0.459 216 D N 0.900 121.133 120.400 -0.278 0.000 2.144 216 D HA -0.065 4.585 4.640 0.017 0.000 0.199 216 D C 2.278 178.453 176.300 -0.208 0.000 0.984 216 D CA 0.853 54.783 54.000 -0.117 0.000 0.834 216 D CB -0.310 40.562 40.800 0.120 0.000 0.955 216 D HN 0.411 nan 8.370 nan 0.000 0.465 217 Q N 0.153 119.689 119.800 -0.439 0.000 2.119 217 Q HA -0.058 4.292 4.340 0.017 0.000 0.201 217 Q C 2.444 178.253 176.000 -0.318 0.000 0.972 217 Q CA 0.469 56.061 55.803 -0.353 0.000 0.847 217 Q CB -0.323 28.093 28.738 -0.537 0.000 0.903 217 Q HN 0.251 nan 8.270 nan 0.000 0.433 218 V N 0.864 120.400 119.914 -0.629 0.000 2.358 218 V HA -0.244 3.886 4.120 0.017 0.000 0.246 218 V C 2.502 178.319 176.094 -0.462 0.000 1.047 218 V CA 1.955 63.704 62.300 -0.917 0.000 1.035 218 V CB -0.567 30.581 31.823 -1.126 0.000 0.658 218 V HN 0.291 nan 8.190 nan 0.000 0.452 219 R N 0.368 120.695 120.500 -0.289 0.000 2.081 219 R HA -0.156 4.194 4.340 0.017 0.000 0.235 219 R C 2.256 178.518 176.300 -0.064 0.000 1.131 219 R CA 1.688 57.705 56.100 -0.138 0.000 0.960 219 R CB -0.467 29.798 30.300 -0.058 0.000 0.856 219 R HN 0.480 nan 8.270 nan 0.000 0.436 220 A N 0.243 123.045 122.820 -0.030 0.000 1.902 220 A HA -0.178 4.152 4.320 0.017 0.000 0.217 220 A C 2.013 179.634 177.584 0.062 0.000 1.181 220 A CA 1.279 53.333 52.037 0.027 0.000 0.623 220 A CB -0.822 18.214 19.000 0.059 0.000 0.818 220 A HN 0.528 nan 8.150 nan 0.000 0.443 221 F N 1.356 121.282 119.950 -0.041 0.000 2.126 221 F HA -0.230 4.308 4.527 0.017 0.000 0.299 221 F C 2.015 177.807 175.800 -0.013 0.000 1.096 221 F CA 2.141 60.159 58.000 0.030 0.000 1.255 221 F CB -0.343 38.792 39.000 0.224 0.000 0.997 221 F HN 0.365 nan 8.300 nan 0.000 0.479 222 N N 0.054 118.779 118.700 0.041 0.000 2.142 222 N HA -0.208 4.542 4.740 0.017 0.000 0.186 222 N C 1.980 177.460 175.510 -0.050 0.000 1.023 222 N CA 1.100 54.156 53.050 0.011 0.000 0.852 222 N CB -0.253 38.230 38.487 -0.007 0.000 0.998 222 N HN 0.056 nan 8.380 nan 0.000 0.424 223 R N 0.863 121.334 120.500 -0.049 0.000 2.105 223 R HA -0.047 4.303 4.340 0.017 0.000 0.239 223 R C 2.070 178.317 176.300 -0.088 0.000 1.135 223 R CA 0.953 57.022 56.100 -0.051 0.000 0.967 223 R CB -1.103 29.180 30.300 -0.030 0.000 0.861 223 R HN 0.410 nan 8.270 nan 0.000 0.442 224 L N 0.666 121.814 121.223 -0.125 0.000 2.012 224 L HA -0.235 4.115 4.340 0.017 0.000 0.210 224 L C 1.618 178.375 176.870 -0.187 0.000 1.073 224 L CA 2.094 56.838 54.840 -0.160 0.000 0.748 224 L CB -0.844 41.084 42.059 -0.219 0.000 0.891 224 L HN 0.440 nan 8.230 nan 0.000 0.431 225 Q N -0.860 118.804 119.800 -0.226 0.000 2.119 225 Q HA -0.136 4.214 4.340 0.017 0.000 0.201 225 Q C 2.240 178.135 176.000 -0.176 0.000 0.972 225 Q CA 1.446 57.120 55.803 -0.216 0.000 0.847 225 Q CB -0.136 28.476 28.738 -0.210 0.000 0.903 225 Q HN 0.443 nan 8.270 nan 0.000 0.433 226 V N 1.767 121.603 119.914 -0.130 0.000 2.343 226 V HA -0.272 3.858 4.120 0.017 0.000 0.247 226 V C 1.966 177.985 176.094 -0.125 0.000 1.051 226 V CA 2.028 64.259 62.300 -0.114 0.000 1.036 226 V CB -0.560 31.222 31.823 -0.068 0.000 0.654 226 V HN 0.372 nan 8.190 nan 0.000 0.451 227 E N -0.070 120.062 120.200 -0.113 0.000 2.085 227 E HA -0.209 4.151 4.350 0.017 0.000 0.194 227 E C 2.176 178.695 176.600 -0.136 0.000 0.994 227 E CA 1.561 57.894 56.400 -0.111 0.000 0.801 227 E CB -0.242 29.402 29.700 -0.094 0.000 0.743 227 E HN 0.561 nan 8.360 nan 0.000 0.453 228 I N 1.000 121.489 120.570 -0.134 0.000 2.226 228 I HA -0.278 3.902 4.170 0.017 0.000 0.245 228 I C 2.310 178.341 176.117 -0.143 0.000 1.100 228 I CA 1.058 62.299 61.300 -0.099 0.000 1.374 228 I CB -0.184 37.756 38.000 -0.100 0.000 1.057 228 I HN 0.106 nan 8.210 nan 0.000 0.413 229 L N -0.068 121.016 121.223 -0.232 0.000 2.141 229 L HA -0.133 4.217 4.340 0.017 0.000 0.209 229 L C 2.676 179.418 176.870 -0.213 0.000 1.094 229 L CA 0.750 55.396 54.840 -0.323 0.000 0.763 229 L CB -0.542 41.246 42.059 -0.451 0.000 0.908 229 L HN 0.191 nan 8.230 nan 0.000 0.437 230 R N 0.235 120.633 120.500 -0.170 0.000 2.090 230 R HA 0.000 4.350 4.340 0.017 0.000 0.228 230 R C 2.265 178.467 176.300 -0.163 0.000 1.110 230 R CA 1.372 57.393 56.100 -0.131 0.000 0.973 230 R CB -0.803 29.434 30.300 -0.105 0.000 0.869 230 R HN 0.324 nan 8.270 nan 0.000 0.440 231 A N 0.552 123.225 122.820 -0.245 0.000 1.930 231 A HA -0.079 4.251 4.320 0.017 0.000 0.215 231 A C 1.482 178.773 177.584 -0.489 0.000 1.176 231 A CA 0.963 52.764 52.037 -0.393 0.000 0.632 231 A CB -0.286 18.388 19.000 -0.544 0.000 0.819 231 A HN 0.278 nan 8.150 nan 0.000 0.445 232 H N -1.723 117.273 119.070 -0.123 0.000 2.705 232 H HA 0.468 5.034 4.556 0.017 0.000 0.269 232 H C 0.537 175.798 175.328 -0.111 0.000 0.998 232 H CA 0.714 56.689 56.048 -0.121 0.000 1.193 232 H CB 0.458 30.133 29.762 -0.146 0.000 1.485 232 H HN 0.441 nan 8.280 nan 0.000 0.521 233 A N 2.171 124.965 122.820 -0.044 0.000 3.129 233 A HA 0.283 4.613 4.320 0.017 0.000 0.282 233 A C -2.535 175.044 177.584 -0.009 0.000 0.948 233 A CA -1.180 50.852 52.037 -0.008 0.000 1.027 233 A CB 0.148 19.124 19.000 -0.040 0.000 1.123 233 A HN -0.068 nan 8.150 nan 0.000 0.485 234 P HA 0.201 nan 4.420 nan 0.000 0.265 234 P C 1.040 178.347 177.300 0.011 0.000 1.193 234 P CA 2.007 65.096 63.100 -0.019 0.000 0.765 234 P CB 0.967 32.649 31.700 -0.030 0.000 0.823 235 G N 1.832 110.646 108.800 0.024 0.000 2.225 235 G HA2 -0.185 3.785 3.960 0.017 0.000 0.254 235 G HA3 -0.185 3.785 3.960 0.017 0.000 0.254 235 G C 0.053 174.993 174.900 0.066 0.000 0.988 235 G CA -0.108 45.019 45.100 0.046 0.000 0.625 235 G HN 0.557 nan 8.290 nan 0.000 0.527 236 K N 1.096 121.530 120.400 0.057 0.000 2.172 236 K HA 0.565 4.895 4.320 0.017 0.000 0.276 236 K C 0.559 177.194 176.600 0.057 0.000 1.013 236 K CA -0.875 55.430 56.287 0.030 0.000 0.913 236 K CB 0.819 33.384 32.500 0.109 0.000 1.055 236 K HN 0.428 nan 8.250 nan 0.000 0.461 237 F N 0.076 120.085 119.950 0.098 0.000 2.440 237 F HA 0.443 4.980 4.527 0.017 0.000 0.323 237 F C -0.076 175.697 175.800 -0.044 0.000 1.192 237 F CA -1.042 56.969 58.000 0.019 0.000 1.252 237 F CB 0.303 39.345 39.000 0.069 0.000 1.214 237 F HN 0.059 nan 8.300 nan 0.000 0.578 238 V N 1.829 121.856 119.914 0.188 0.000 2.577 238 V HA 0.587 4.717 4.120 0.017 0.000 0.303 238 V C -0.192 175.769 176.094 -0.221 0.000 1.042 238 V CA -0.325 61.995 62.300 0.033 0.000 0.872 238 V CB 1.222 33.023 31.823 -0.036 0.000 0.998 238 V HN 1.203 nan 8.190 nan 0.000 0.423 239 T N 2.286 116.680 114.554 -0.266 0.000 2.778 239 T HA 0.724 5.084 4.350 0.017 0.000 0.293 239 T C -1.839 172.713 174.700 -0.246 0.000 1.144 239 T CA -0.403 61.401 62.100 -0.494 0.000 1.010 239 T CB 1.913 70.157 68.868 -1.040 0.000 1.325 239 T HN 0.924 nan 8.240 nan 0.000 0.515 240 H N 1.168 119.979 119.070 -0.432 0.000 2.930 240 H HA 0.560 5.127 4.556 0.017 0.000 0.371 240 H C -0.802 174.126 175.328 -0.666 0.000 1.169 240 H CA -0.789 54.942 56.048 -0.529 0.000 1.157 240 H CB 1.165 30.567 29.762 -0.600 0.000 1.789 240 H HN 0.555 nan 8.280 nan 0.000 0.547 241 N N 4.320 122.229 118.700 -1.318 0.000 2.500 241 N HA 0.136 4.886 4.740 0.017 0.000 0.236 241 N C -1.093 173.958 175.510 -0.764 0.000 1.022 241 N CA -0.296 52.265 53.050 -0.814 0.000 0.935 241 N CB -0.164 38.029 38.487 -0.490 0.000 1.147 241 N HN 0.153 nan 8.380 nan 0.000 0.512 242 F N 1.103 120.881 119.950 -0.286 0.000 2.399 242 F HA 0.421 4.957 4.527 0.016 0.000 0.313 242 F C 1.252 177.001 175.800 -0.086 0.000 1.202 242 F CA -0.540 57.361 58.000 -0.164 0.000 1.192 242 F CB 0.576 39.376 39.000 -0.333 0.000 1.256 242 F HN 0.197 nan 8.300 nan 0.000 0.558 243 M N 0.033 119.808 119.600 0.292 0.000 2.762 243 M HA 0.520 5.011 4.480 0.017 0.000 0.306 243 M C 0.263 176.722 176.300 0.266 0.000 1.223 243 M CA -0.861 54.586 55.300 0.245 0.000 0.896 243 M CB 1.609 34.227 32.600 0.031 0.000 1.684 243 M HN 0.651 nan 8.290 nan 0.000 0.491 244 G N -0.125 108.677 108.800 0.004 0.000 2.415 244 G HA2 0.474 4.444 3.960 0.017 0.000 0.269 244 G HA3 0.474 4.444 3.960 0.017 0.000 0.269 244 G C -0.493 174.198 174.900 -0.348 0.000 1.209 244 G CA -0.368 44.202 45.100 -0.883 0.000 0.835 244 G HN 0.699 nan 8.290 nan 0.000 0.534 245 F N -0.735 119.215 119.950 -0.000 0.000 2.970 245 F HA -0.171 4.365 4.527 0.016 0.000 0.251 245 F C 0.064 176.006 175.800 0.236 0.000 0.993 245 F CA 0.345 58.432 58.000 0.145 0.000 0.869 245 F CB -1.799 37.197 39.000 -0.006 0.000 0.762 245 F HN 0.453 nan 8.300 nan 0.000 0.817 246 F N 0.813 120.939 119.950 0.292 0.000 2.477 246 F HA 0.563 5.099 4.527 0.016 0.000 0.335 246 F C 0.828 176.852 175.800 0.374 0.000 1.130 246 F CA -0.239 57.926 58.000 0.275 0.000 0.948 246 F CB 1.380 40.513 39.000 0.222 0.000 1.154 246 F HN 0.053 nan 8.300 nan 0.000 0.439 247 T N -0.565 113.891 114.554 -0.162 0.000 3.043 247 T HA 0.124 4.484 4.350 0.017 0.000 0.272 247 T C 0.871 175.632 174.700 0.102 0.000 0.990 247 T CA 0.023 62.226 62.100 0.172 0.000 0.897 247 T CB -0.122 68.890 68.868 0.240 0.000 1.111 247 T HN 0.382 nan 8.240 nan 0.000 0.529 248 D N 1.403 121.491 120.400 -0.519 0.000 2.182 248 D HA 0.052 4.702 4.640 0.017 0.000 0.201 248 D C 0.484 176.800 176.300 0.027 0.000 0.986 248 D CA 0.692 54.517 54.000 -0.291 0.000 0.847 248 D CB -0.044 40.435 40.800 -0.535 0.000 0.942 248 D HN 0.383 nan 8.370 nan 0.000 0.467 249 L N 0.975 122.252 121.223 0.091 0.000 2.296 249 L HA 0.256 4.606 4.340 0.017 0.000 0.286 249 L C -0.669 176.156 176.870 -0.075 0.000 1.023 249 L CA -0.723 54.201 54.840 0.141 0.000 0.812 249 L CB 1.615 43.842 42.059 0.280 0.000 1.223 249 L HN -0.288 nan 8.230 nan 0.000 0.421 250 D N 4.214 124.581 120.400 -0.054 0.000 2.416 250 D HA 0.181 4.831 4.640 0.017 0.000 0.240 250 D C 0.955 176.894 176.300 -0.603 0.000 1.250 250 D CA 0.598 54.299 54.000 -0.498 0.000 0.967 250 D CB 1.392 42.164 40.800 -0.047 0.000 1.059 250 D HN 0.755 nan 8.370 nan 0.000 0.512 251 A N 3.932 126.040 122.820 -1.185 0.000 1.933 251 A HA -0.170 4.160 4.320 0.017 0.000 0.218 251 A C 1.794 179.098 177.584 -0.466 0.000 1.175 251 A CA 0.774 52.290 52.037 -0.868 0.000 0.628 251 A CB -0.561 17.709 19.000 -1.216 0.000 0.814 251 A HN 0.557 nan 8.150 nan 0.000 0.444 252 F N 0.278 120.070 119.950 -0.264 0.000 2.095 252 F HA -0.145 4.392 4.527 0.017 0.000 0.298 252 F C 2.787 178.571 175.800 -0.025 0.000 1.104 252 F CA 0.916 58.894 58.000 -0.037 0.000 1.232 252 F CB -0.779 38.275 39.000 0.089 0.000 0.987 252 F HN 0.269 nan 8.300 nan 0.000 0.475 253 A N -0.267 122.645 122.820 0.152 0.000 1.873 253 A HA -0.138 4.192 4.320 0.017 0.000 0.215 253 A C 2.237 179.876 177.584 0.092 0.000 1.186 253 A CA 1.470 53.572 52.037 0.108 0.000 0.616 253 A CB -1.179 17.875 19.000 0.089 0.000 0.823 253 A HN 0.409 nan 8.150 nan 0.000 0.442 254 L N -0.529 120.740 121.223 0.076 0.000 2.083 254 L HA -0.112 4.238 4.340 0.017 0.000 0.209 254 L C 2.635 179.617 176.870 0.187 0.000 1.083 254 L CA 1.468 56.383 54.840 0.124 0.000 0.752 254 L CB -0.272 41.894 42.059 0.179 0.000 0.899 254 L HN 0.363 nan 8.230 nan 0.000 0.433 255 A N -1.064 121.895 122.820 0.232 0.000 2.178 255 A HA -0.217 4.113 4.320 0.017 0.000 0.218 255 A C 2.060 179.742 177.584 0.164 0.000 1.157 255 A CA 1.294 53.483 52.037 0.253 0.000 0.689 255 A CB -0.454 18.704 19.000 0.263 0.000 0.787 255 A HN 0.656 nan 8.150 nan 0.000 0.465 256 Q N -0.331 119.549 119.800 0.134 0.000 2.291 256 Q HA -0.143 4.207 4.340 0.017 0.000 0.206 256 Q C 0.444 176.487 176.000 0.072 0.000 0.976 256 Q CA 1.253 57.115 55.803 0.099 0.000 0.875 256 Q CB -0.006 28.781 28.738 0.081 0.000 0.927 256 Q HN 0.594 nan 8.270 nan 0.000 0.450 257 D N -0.435 120.006 120.400 0.070 0.000 2.340 257 D HA 0.129 4.779 4.640 0.017 0.000 0.217 257 D C 0.075 176.390 176.300 0.025 0.000 1.081 257 D CA 0.339 54.362 54.000 0.039 0.000 0.842 257 D CB 0.481 41.298 40.800 0.029 0.000 0.934 257 D HN 0.174 nan 8.370 nan 0.000 0.511 258 L N 0.170 121.416 121.223 0.038 0.000 2.313 258 L HA 0.325 4.675 4.340 0.017 0.000 0.268 258 L C 1.147 178.000 176.870 -0.028 0.000 1.010 258 L CA -0.856 53.970 54.840 -0.022 0.000 0.814 258 L CB 1.707 43.749 42.059 -0.028 0.000 1.304 258 L HN -0.340 nan 8.230 nan 0.000 0.441 259 D N 0.504 120.830 120.400 -0.123 0.000 2.194 259 D HA 0.057 4.707 4.640 0.017 0.000 0.204 259 D C -0.276 176.074 176.300 0.084 0.000 0.964 259 D CA 1.438 55.424 54.000 -0.023 0.000 0.846 259 D CB 0.417 41.220 40.800 0.004 0.000 0.962 259 D HN 0.311 nan 8.370 nan 0.000 0.490 260 F N -1.507 118.425 119.950 -0.030 0.000 2.770 260 F HA 0.626 5.163 4.527 0.017 0.000 0.313 260 F C -1.594 174.222 175.800 0.027 0.000 1.154 260 F CA -1.851 56.143 58.000 -0.009 0.000 0.923 260 F CB 0.878 39.815 39.000 -0.105 0.000 1.301 260 F HN -0.212 nan 8.300 nan 0.000 0.449 261 A N 1.121 124.211 122.820 0.449 0.000 2.295 261 A HA 0.868 5.198 4.320 0.017 0.000 0.318 261 A C -0.654 177.219 177.584 0.481 0.000 1.134 261 A CA -0.472 51.834 52.037 0.449 0.000 0.827 261 A CB 0.866 20.191 19.000 0.542 0.000 1.136 261 A HN 0.837 nan 8.150 nan 0.000 0.493 262 S N 0.966 116.826 115.700 0.266 0.000 2.599 262 S HA 0.826 5.306 4.470 0.017 0.000 0.287 262 S C -1.151 173.534 174.600 0.141 0.000 1.105 262 S CA -0.485 57.861 58.200 0.242 0.000 0.899 262 S CB 1.460 64.686 63.200 0.043 0.000 1.100 262 S HN 0.971 nan 8.310 nan 0.000 0.482 263 W N 0.946 122.196 121.300 -0.083 0.000 3.075 263 W HA 0.566 5.236 4.660 0.016 0.000 0.334 263 W C -2.279 174.181 176.519 -0.098 0.000 1.243 263 W CA -0.816 56.380 57.345 -0.248 0.000 1.170 263 W CB 0.597 29.723 29.460 -0.557 0.000 1.452 263 W HN 0.429 nan 8.180 nan 0.000 0.572 264 D N 2.384 122.654 120.400 -0.217 0.000 2.392 264 D HA 0.238 4.888 4.640 0.017 0.000 0.228 264 D C -0.580 175.306 176.300 -0.691 0.000 1.074 264 D CA -0.084 53.658 54.000 -0.430 0.000 0.838 264 D CB 1.941 42.708 40.800 -0.056 0.000 1.067 264 D HN 0.291 nan 8.370 nan 0.000 0.511 265 S N 2.522 117.460 115.700 -1.270 0.000 2.438 265 S HA 0.369 4.849 4.470 0.017 0.000 0.293 265 S C -1.146 172.776 174.600 -1.130 0.000 1.141 265 S CA -0.523 56.992 58.200 -1.142 0.000 1.080 265 S CB 0.071 62.554 63.200 -1.196 0.000 0.978 265 S HN 0.263 nan 8.310 nan 0.000 0.479 266 Y N 5.511 125.389 120.300 -0.704 0.000 2.535 266 Y HA 0.339 4.900 4.550 0.017 0.000 0.351 266 Y C -2.098 173.159 175.900 -1.071 0.000 1.050 266 Y CA -1.768 55.867 58.100 -0.775 0.000 1.168 266 Y CB 0.984 39.209 38.460 -0.392 0.000 1.116 266 Y HN 0.486 nan 8.280 nan 0.000 0.654 267 P HA -0.231 nan 4.420 nan 0.000 0.216 267 P C 1.513 178.787 177.300 -0.044 0.000 1.154 267 P CA 1.758 64.692 63.100 -0.277 0.000 0.865 267 P CB 0.394 31.797 31.700 -0.495 0.000 0.789 268 L N -1.848 119.318 121.223 -0.094 0.000 2.093 268 L HA -0.047 4.303 4.340 0.017 0.000 0.208 268 L C 2.615 179.454 176.870 -0.051 0.000 1.085 268 L CA 1.791 56.656 54.840 0.042 0.000 0.755 268 L CB -1.642 40.452 42.059 0.059 0.000 0.904 268 L HN 0.096 nan 8.230 nan 0.000 0.435 269 G N 0.081 108.720 108.800 -0.268 0.000 2.404 269 G HA2 -0.222 3.748 3.960 0.017 0.000 0.215 269 G HA3 -0.222 3.748 3.960 0.017 0.000 0.215 269 G C 1.309 176.335 174.900 0.210 0.000 1.174 269 G CA 0.300 45.180 45.100 -0.366 0.000 0.780 269 G HN 0.133 nan 8.290 nan 0.000 0.537 270 F N 1.715 121.879 119.950 0.357 0.000 2.102 270 F HA -0.022 4.515 4.527 0.016 0.000 0.298 270 F C 3.039 179.030 175.800 0.318 0.000 1.105 270 F CA 1.335 59.578 58.000 0.405 0.000 1.239 270 F CB -1.361 37.874 39.000 0.391 0.000 0.991 270 F HN 0.029 nan 8.300 nan 0.000 0.474 271 T N -0.654 114.174 114.554 0.457 0.000 2.746 271 T HA -0.238 4.122 4.350 0.017 0.000 0.267 271 T C 1.564 176.427 174.700 0.272 0.000 1.039 271 T CA 1.788 64.100 62.100 0.354 0.000 1.142 271 T CB -0.528 68.555 68.868 0.359 0.000 0.866 271 T HN 0.223 nan 8.240 nan 0.000 0.444 272 D N 0.730 121.271 120.400 0.235 0.000 2.178 272 D HA -0.034 4.617 4.640 0.017 0.000 0.201 272 D C 1.777 178.203 176.300 0.210 0.000 0.980 272 D CA 0.736 54.865 54.000 0.215 0.000 0.842 272 D CB -0.246 40.663 40.800 0.183 0.000 0.948 272 D HN 0.325 nan 8.370 nan 0.000 0.472 273 L N -0.513 120.847 121.223 0.228 0.000 2.492 273 L HA 0.136 4.486 4.340 0.017 0.000 0.223 273 L C 0.814 177.754 176.870 0.117 0.000 1.132 273 L CA -0.054 54.903 54.840 0.195 0.000 0.850 273 L CB -0.194 42.024 42.059 0.266 0.000 0.966 273 L HN 0.074 nan 8.230 nan 0.000 0.454 274 M N 1.651 121.315 119.600 0.107 0.000 2.233 274 M HA 0.151 4.641 4.480 0.017 0.000 0.350 274 M C -1.705 174.604 176.300 0.014 0.000 1.176 274 M CA -1.416 53.878 55.300 -0.009 0.000 1.150 274 M CB 0.579 33.162 32.600 -0.028 0.000 1.530 274 M HN -0.236 nan 8.290 nan 0.000 0.459 275 P HA 0.182 nan 4.420 nan 0.000 0.218 275 P C -0.882 176.428 177.300 0.017 0.000 1.793 275 P CA 0.177 63.276 63.100 -0.002 0.000 0.941 275 P CB -0.444 31.237 31.700 -0.031 0.000 1.919 276 L N 2.237 123.494 121.223 0.057 0.000 2.464 276 L HA 0.291 4.641 4.340 0.017 0.000 0.264 276 L C -1.367 175.563 176.870 0.100 0.000 1.199 276 L CA -2.089 52.811 54.840 0.100 0.000 0.818 276 L CB -0.340 41.830 42.059 0.185 0.000 1.102 276 L HN 0.062 nan 8.230 nan 0.000 0.473 277 P HA 0.079 nan 4.420 nan 0.000 0.269 277 P C -2.314 175.037 177.300 0.086 0.000 1.215 277 P CA -1.216 61.938 63.100 0.090 0.000 0.780 277 P CB 0.168 31.926 31.700 0.097 0.000 0.898 278 P HA -0.285 nan 4.420 nan 0.000 0.219 278 P C 1.703 179.030 177.300 0.045 0.000 1.161 278 P CA 2.036 65.166 63.100 0.049 0.000 0.909 278 P CB -0.158 31.564 31.700 0.038 0.000 0.793 279 E N 0.426 120.651 120.200 0.042 0.000 2.058 279 E HA -0.243 4.117 4.350 0.017 0.000 0.194 279 E C 1.769 178.372 176.600 0.003 0.000 0.997 279 E CA 1.583 57.995 56.400 0.020 0.000 0.801 279 E CB -1.242 28.471 29.700 0.021 0.000 0.746 279 E HN 0.391 nan 8.360 nan 0.000 0.450 280 E N 1.372 121.608 120.200 0.059 0.000 2.106 280 E HA -0.165 4.195 4.350 0.017 0.000 0.192 280 E C 2.273 178.962 176.600 0.149 0.000 0.984 280 E CA 1.417 57.875 56.400 0.097 0.000 0.806 280 E CB -0.221 29.683 29.700 0.339 0.000 0.750 280 E HN 0.496 nan 8.360 nan 0.000 0.458 281 K N 1.148 121.636 120.400 0.146 0.000 2.147 281 K HA -0.144 4.186 4.320 0.017 0.000 0.205 281 K C 2.014 178.674 176.600 0.100 0.000 1.049 281 K CA 1.209 57.586 56.287 0.150 0.000 0.936 281 K CB -0.211 32.352 32.500 0.106 0.000 0.722 281 K HN 0.131 nan 8.250 nan 0.000 0.446 282 L N 0.524 121.771 121.223 0.040 0.000 2.127 282 L HA 0.064 4.414 4.340 0.017 0.000 0.203 282 L C 3.003 179.872 176.870 -0.002 0.000 1.080 282 L CA 0.805 55.654 54.840 0.015 0.000 0.768 282 L CB -0.462 41.595 42.059 -0.004 0.000 0.924 282 L HN 0.216 nan 8.230 nan 0.000 0.444 283 R N 0.054 120.496 120.500 -0.098 0.000 2.096 283 R HA -0.190 4.160 4.340 0.017 0.000 0.235 283 R C 1.319 177.521 176.300 -0.164 0.000 1.127 283 R CA 1.696 57.656 56.100 -0.233 0.000 0.968 283 R CB -0.036 29.942 30.300 -0.538 0.000 0.861 283 R HN 0.276 nan 8.270 nan 0.000 0.440 284 Y N -0.630 119.785 120.300 0.191 0.000 2.607 284 Y HA 0.384 4.944 4.550 0.017 0.000 0.266 284 Y C 1.544 177.581 175.900 0.230 0.000 1.178 284 Y CA -0.323 57.923 58.100 0.244 0.000 1.226 284 Y CB 0.138 38.757 38.460 0.264 0.000 1.144 284 Y HN 0.145 nan 8.280 nan 0.000 0.528 285 A N 0.589 123.568 122.820 0.264 0.000 1.940 285 A HA -0.159 4.171 4.320 0.017 0.000 0.219 285 A C 2.134 179.836 177.584 0.196 0.000 1.176 285 A CA 1.485 53.641 52.037 0.199 0.000 0.631 285 A CB -0.202 18.863 19.000 0.108 0.000 0.814 285 A HN 0.404 nan 8.150 nan 0.000 0.446 286 R N -1.180 119.427 120.500 0.178 0.000 2.432 286 R HA 0.082 4.432 4.340 0.017 0.000 0.260 286 R C 1.294 177.686 176.300 0.154 0.000 0.935 286 R CA 0.941 57.111 56.100 0.117 0.000 1.080 286 R CB 0.206 30.497 30.300 -0.015 0.000 1.155 286 R HN 0.710 nan 8.270 nan 0.000 0.531 287 T N -3.873 110.886 114.554 0.341 0.000 2.964 287 T HA 0.283 4.643 4.350 0.017 0.000 0.250 287 T C 0.847 176.026 174.700 0.799 0.000 0.982 287 T CA 0.322 62.698 62.100 0.459 0.000 0.959 287 T CB 1.085 70.292 68.868 0.566 0.000 1.141 287 T HN 0.258 nan 8.240 nan 0.000 0.494 288 G N 1.477 110.663 108.800 0.643 0.000 2.692 288 G HA2 -0.051 3.919 3.960 0.017 0.000 0.686 288 G HA3 -0.051 3.919 3.960 0.017 0.000 0.686 288 G C -0.684 174.443 174.900 0.379 0.000 1.243 288 G CA -0.432 44.999 45.100 0.551 0.000 0.782 288 G HN 0.835 nan 8.290 nan 0.000 0.625 289 H N 3.068 122.237 119.070 0.165 0.000 2.815 289 H HA 0.180 4.746 4.556 0.017 0.000 0.350 289 H C -1.065 174.034 175.328 -0.382 0.000 1.080 289 H CA -0.309 55.628 56.048 -0.185 0.000 1.433 289 H CB 1.131 30.949 29.762 0.093 0.000 1.432 289 H HN 0.162 nan 8.280 nan 0.000 0.592 290 P HA -0.143 nan 4.420 nan 0.000 0.218 290 P C 0.300 177.331 177.300 -0.448 0.000 1.146 290 P CA 1.444 63.745 63.100 -1.331 0.000 0.820 290 P CB 0.325 31.427 31.700 -0.998 0.000 0.778 291 D N -2.229 118.217 120.400 0.078 0.000 2.398 291 D HA 0.044 4.694 4.640 0.017 0.000 0.210 291 D C 1.683 178.271 176.300 0.479 0.000 1.094 291 D CA -0.000 54.192 54.000 0.320 0.000 0.839 291 D CB -0.007 40.925 40.800 0.221 0.000 0.963 291 D HN -0.015 nan 8.370 nan 0.000 0.506 292 V N 1.168 121.403 119.914 0.535 0.000 2.358 292 V HA -0.188 3.942 4.120 0.017 0.000 0.246 292 V C 2.187 178.500 176.094 0.365 0.000 1.047 292 V CA 2.216 64.822 62.300 0.510 0.000 1.035 292 V CB -0.033 32.102 31.823 0.520 0.000 0.658 292 V HN 0.194 nan 8.190 nan 0.000 0.452 293 A N -0.579 122.408 122.820 0.277 0.000 1.878 293 A HA 0.150 4.481 4.320 0.017 0.000 0.213 293 A C 2.400 179.809 177.584 -0.291 0.000 1.192 293 A CA 1.538 53.652 52.037 0.128 0.000 0.619 293 A CB -0.924 18.151 19.000 0.125 0.000 0.837 293 A HN 0.705 nan 8.150 nan 0.000 0.446 294 A N -0.618 122.139 122.820 -0.104 0.000 1.917 294 A HA -0.150 4.180 4.320 0.017 0.000 0.219 294 A C 2.043 179.455 177.584 -0.286 0.000 1.182 294 A CA 1.853 53.754 52.037 -0.226 0.000 0.633 294 A CB -0.856 18.221 19.000 0.128 0.000 0.819 294 A HN 0.787 nan 8.150 nan 0.000 0.448 295 F N 0.641 120.293 119.950 -0.496 0.000 2.126 295 F HA -0.232 4.304 4.527 0.016 0.000 0.299 295 F C 2.134 177.271 175.800 -1.105 0.000 1.096 295 F CA 2.372 59.659 58.000 -1.189 0.000 1.255 295 F CB -0.677 37.612 39.000 -1.184 0.000 0.997 295 F HN 0.425 nan 8.300 nan 0.000 0.479 296 H N -1.679 116.686 119.070 -1.176 0.000 2.428 296 H HA -0.075 4.491 4.556 0.017 0.000 0.296 296 H C 2.132 176.627 175.328 -1.388 0.000 1.062 296 H CA 1.627 56.695 56.048 -1.634 0.000 1.350 296 H CB -0.304 28.189 29.762 -2.114 0.000 1.403 296 H HN 0.297 nan 8.280 nan 0.000 0.533 297 H N 0.460 119.113 119.070 -0.695 0.000 2.353 297 H HA -0.102 4.464 4.556 0.017 0.000 0.300 297 H C 1.452 176.317 175.328 -0.772 0.000 1.090 297 H CA 1.359 57.082 56.048 -0.542 0.000 1.327 297 H CB -0.159 29.529 29.762 -0.123 0.000 1.383 297 H HN 0.447 nan 8.280 nan 0.000 0.508 298 D N 0.517 120.640 120.400 -0.462 0.000 2.117 298 D HA -0.108 4.542 4.640 0.017 0.000 0.198 298 D C 2.423 178.337 176.300 -0.644 0.000 0.982 298 D CA 0.393 54.164 54.000 -0.382 0.000 0.828 298 D CB -0.458 40.240 40.800 -0.170 0.000 0.967 298 D HN 0.178 nan 8.370 nan 0.000 0.464 299 L N 0.080 120.643 121.223 -1.099 0.000 1.994 299 L HA -0.207 4.143 4.340 0.017 0.000 0.208 299 L C 2.035 178.280 176.870 -1.043 0.000 1.071 299 L CA 1.715 55.790 54.840 -1.274 0.000 0.745 299 L CB -0.917 39.942 42.059 -1.999 0.000 0.892 299 L HN -0.018 nan 8.230 nan 0.000 0.431 300 Y N -0.276 119.517 120.300 -0.845 0.000 2.439 300 Y HA -0.065 4.495 4.550 0.017 0.000 0.292 300 Y C 2.796 178.425 175.900 -0.452 0.000 1.130 300 Y CA 1.256 58.999 58.100 -0.595 0.000 1.254 300 Y CB -0.551 37.621 38.460 -0.480 0.000 1.000 300 Y HN 0.256 nan 8.280 nan 0.000 0.554 301 R N 0.014 120.175 120.500 -0.566 0.000 2.092 301 R HA -0.091 4.259 4.340 0.017 0.000 0.231 301 R C 2.415 178.708 176.300 -0.012 0.000 1.119 301 R CA 1.288 57.252 56.100 -0.227 0.000 0.970 301 R CB -0.590 29.592 30.300 -0.197 0.000 0.864 301 R HN 0.400 nan 8.270 nan 0.000 0.440 302 G N -0.169 108.575 108.800 -0.094 0.000 2.394 302 G HA2 -0.158 3.812 3.960 0.017 0.000 0.215 302 G HA3 -0.158 3.812 3.960 0.017 0.000 0.215 302 G C 1.361 176.392 174.900 0.219 0.000 1.165 302 G CA 0.589 45.735 45.100 0.076 0.000 0.784 302 G HN 0.196 nan 8.290 nan 0.000 0.535 303 V N 1.357 121.268 119.914 -0.006 0.000 2.490 303 V HA -0.043 4.087 4.120 0.017 0.000 0.250 303 V C 2.732 178.936 176.094 0.183 0.000 1.061 303 V CA 1.821 64.100 62.300 -0.035 0.000 1.064 303 V CB -0.593 31.024 31.823 -0.343 0.000 0.670 303 V HN 0.429 nan 8.190 nan 0.000 0.461 304 G N -0.931 107.995 108.800 0.210 0.000 3.314 304 G HA2 0.083 4.053 3.960 0.017 0.000 0.238 304 G HA3 0.083 4.053 3.960 0.017 0.000 0.238 304 G C 0.732 175.772 174.900 0.233 0.000 1.184 304 G CA -0.329 44.934 45.100 0.272 0.000 0.806 304 G HN 0.500 nan 8.290 nan 0.000 0.536 305 R N -1.331 119.289 120.500 0.201 0.000 3.525 305 R HA -0.232 4.118 4.340 0.017 0.000 0.276 305 R C 1.509 177.899 176.300 0.151 0.000 1.116 305 R CA 0.546 56.742 56.100 0.161 0.000 0.745 305 R CB -1.919 28.465 30.300 0.140 0.000 1.185 305 R HN 1.112 nan 8.270 nan 0.000 0.454 306 G N -0.642 108.259 108.800 0.169 0.000 2.213 306 G HA2 -0.313 3.657 3.960 0.017 0.000 0.226 306 G HA3 -0.313 3.657 3.960 0.017 0.000 0.226 306 G C 0.074 175.105 174.900 0.218 0.000 0.992 306 G CA 0.209 45.408 45.100 0.166 0.000 0.632 306 G HN 0.343 nan 8.290 nan 0.000 0.511 307 R N -0.076 120.578 120.500 0.256 0.000 2.437 307 R HA 0.698 5.048 4.340 0.017 0.000 0.310 307 R C -0.598 175.957 176.300 0.425 0.000 0.955 307 R CA -0.461 55.792 56.100 0.256 0.000 0.851 307 R CB 1.359 31.765 30.300 0.176 0.000 1.161 307 R HN 0.573 nan 8.270 nan 0.000 0.446 308 F N -0.170 119.867 119.950 0.145 0.000 2.713 308 F HA 0.691 5.228 4.527 0.017 0.000 0.311 308 F C -2.159 173.829 175.800 0.313 0.000 1.141 308 F CA -1.435 56.723 58.000 0.262 0.000 0.939 308 F CB 1.102 40.284 39.000 0.304 0.000 1.325 308 F HN 0.302 nan 8.300 nan 0.000 0.453 309 W N 1.297 122.555 121.300 -0.070 0.000 2.882 309 W HA 0.730 5.400 4.660 0.017 0.000 0.345 309 W C -1.418 175.101 176.519 -0.000 0.000 1.125 309 W CA -1.690 55.490 57.345 -0.274 0.000 1.167 309 W CB 1.997 31.327 29.460 -0.217 0.000 1.431 309 W HN 0.440 nan 8.180 nan 0.000 0.543 310 V N 3.836 123.783 119.914 0.055 0.000 2.277 310 V HA 0.016 4.146 4.120 0.017 0.000 0.269 310 V C 0.786 176.817 176.094 -0.105 0.000 1.036 310 V CA -0.420 61.816 62.300 -0.106 0.000 0.821 310 V CB 0.884 32.565 31.823 -0.238 0.000 1.052 310 V HN 0.611 nan 8.190 nan 0.000 0.462 311 M N 3.461 123.043 119.600 -0.029 0.000 2.319 311 M HA 0.120 4.610 4.480 0.017 0.000 0.265 311 M C 0.591 176.877 176.300 -0.022 0.000 1.068 311 M CA 1.576 56.898 55.300 0.038 0.000 1.118 311 M CB 0.119 32.734 32.600 0.024 0.000 1.395 311 M HN 0.601 nan 8.290 nan 0.000 0.435 312 E N 0.085 120.194 120.200 -0.151 0.000 2.260 312 E HA 0.342 4.703 4.350 0.017 0.000 0.266 312 E C -1.368 174.996 176.600 -0.394 0.000 0.887 312 E CA -0.479 55.856 56.400 -0.109 0.000 0.777 312 E CB 1.529 31.215 29.700 -0.022 0.000 1.205 312 E HN -0.004 nan 8.360 nan 0.000 0.414 313 Q N 2.639 122.283 119.800 -0.259 0.000 2.330 313 Q HA 0.149 4.499 4.340 0.017 0.000 0.269 313 Q C -1.187 174.780 176.000 -0.055 0.000 1.022 313 Q CA -0.666 54.938 55.803 -0.331 0.000 0.796 313 Q CB 1.619 30.152 28.738 -0.343 0.000 1.271 313 Q HN 0.495 nan 8.270 nan 0.000 0.450 314 Q N 5.715 125.375 119.800 -0.234 0.000 2.263 314 Q HA 0.094 4.444 4.340 0.017 0.000 0.289 314 Q C -1.775 174.448 176.000 0.372 0.000 1.061 314 Q CA -0.698 55.189 55.803 0.141 0.000 0.927 314 Q CB 0.752 29.463 28.738 -0.045 0.000 1.154 314 Q HN 0.535 nan 8.270 nan 0.000 0.378 315 P HA 0.301 nan 4.420 nan 0.000 0.291 315 P C -0.230 177.198 177.300 0.213 0.000 1.341 315 P CA 0.279 63.566 63.100 0.311 0.000 0.999 315 P CB 1.200 33.044 31.700 0.240 0.000 1.501 316 G N 0.827 109.755 108.800 0.213 0.000 2.427 316 G HA2 0.367 4.337 3.960 0.017 0.000 0.306 316 G HA3 0.367 4.337 3.960 0.017 0.000 0.306 316 G C -3.402 171.529 174.900 0.051 0.000 1.280 316 G CA -0.837 44.334 45.100 0.118 0.000 0.837 316 G HN -0.287 nan 8.290 nan 0.000 0.482 317 P HA 0.371 nan 4.420 nan 0.000 0.269 317 P C 0.424 177.557 177.300 -0.279 0.000 1.209 317 P CA 0.077 63.113 63.100 -0.108 0.000 0.776 317 P CB 1.458 33.115 31.700 -0.073 0.000 0.876 318 V N -0.144 119.509 119.914 -0.434 0.000 3.406 318 V HA 0.458 4.588 4.120 0.017 0.000 0.305 318 V C 1.326 177.145 176.094 -0.458 0.000 1.136 318 V CA -0.441 61.435 62.300 -0.707 0.000 1.011 318 V CB 1.138 32.359 31.823 -1.002 0.000 1.221 318 V HN 0.661 nan 8.190 nan 0.000 0.454 319 N N -0.499 117.997 118.700 -0.339 0.000 2.273 319 N HA -0.002 4.748 4.740 0.017 0.000 0.192 319 N C 1.361 176.838 175.510 -0.055 0.000 1.132 319 N CA 0.841 53.826 53.050 -0.108 0.000 0.887 319 N CB 0.155 38.695 38.487 0.088 0.000 1.048 319 N HN 0.993 nan 8.380 nan 0.000 0.490 320 W N 0.666 121.939 121.300 -0.044 0.000 3.211 320 W HA 0.602 5.273 4.660 0.017 0.000 0.292 320 W C -0.025 176.482 176.519 -0.020 0.000 1.268 320 W CA -0.550 56.778 57.345 -0.028 0.000 1.702 320 W CB -0.216 29.229 29.460 -0.025 0.000 1.092 320 W HN -0.019 nan 8.180 nan 0.000 0.643 321 A N 1.890 124.612 122.820 -0.164 0.000 2.264 321 A HA 0.478 4.808 4.320 0.017 0.000 0.304 321 A C -1.352 176.177 177.584 -0.091 0.000 1.100 321 A CA -1.218 50.791 52.037 -0.048 0.000 0.839 321 A CB 0.480 19.346 19.000 -0.224 0.000 1.121 321 A HN -0.168 nan 8.150 nan 0.000 0.496 322 P HA -0.086 nan 4.420 nan 0.000 0.216 322 P C -0.381 176.578 177.300 -0.569 0.000 1.150 322 P CA 1.516 64.410 63.100 -0.343 0.000 0.837 322 P CB -0.030 31.430 31.700 -0.399 0.000 0.786 323 H N -1.662 117.402 119.070 -0.010 0.000 2.589 323 H HA 0.389 4.955 4.556 0.017 0.000 0.351 323 H C -0.155 175.126 175.328 -0.078 0.000 1.074 323 H CA -0.755 55.279 56.048 -0.024 0.000 1.203 323 H CB 0.792 30.557 29.762 0.006 0.000 1.558 323 H HN -0.162 nan 8.280 nan 0.000 0.522 324 N N 4.262 122.965 118.700 0.006 0.000 2.804 324 N HA 0.200 4.951 4.740 0.017 0.000 0.251 324 N C -2.649 172.836 175.510 -0.040 0.000 1.250 324 N CA -1.166 51.829 53.050 -0.092 0.000 0.820 324 N CB 1.504 39.886 38.487 -0.174 0.000 1.156 324 N HN 0.467 nan 8.380 nan 0.000 0.512 325 P HA 0.136 nan 4.420 nan 0.000 0.276 325 P C 0.071 177.375 177.300 0.008 0.000 1.261 325 P CA -0.334 62.775 63.100 0.015 0.000 0.800 325 P CB 0.755 32.480 31.700 0.043 0.000 1.066 326 S N 0.437 116.142 115.700 0.009 0.000 2.586 326 S HA 0.451 4.931 4.470 0.017 0.000 0.274 326 S C -2.456 172.155 174.600 0.018 0.000 1.281 326 S CA -1.616 56.590 58.200 0.011 0.000 1.035 326 S CB -0.194 63.003 63.200 -0.006 0.000 0.962 326 S HN 0.135 nan 8.310 nan 0.000 0.512 327 P HA 0.213 nan 4.420 nan 0.000 0.268 327 P C -0.857 176.344 177.300 -0.166 0.000 1.205 327 P CA -0.101 62.998 63.100 -0.001 0.000 0.771 327 P CB 0.412 32.127 31.700 0.025 0.000 0.858 328 A N 5.421 128.042 122.820 -0.331 0.000 2.386 328 A HA 0.321 4.652 4.320 0.017 0.000 0.246 328 A C -2.089 175.255 177.584 -0.400 0.000 1.089 328 A CA -1.133 50.599 52.037 -0.507 0.000 0.790 328 A CB -1.324 16.951 19.000 -1.209 0.000 1.042 328 A HN 0.414 nan 8.150 nan 0.000 0.497 329 P HA 0.266 nan 4.420 nan 0.000 0.261 329 P C 0.879 178.149 177.300 -0.050 0.000 1.203 329 P CA 1.862 64.906 63.100 -0.093 0.000 0.767 329 P CB 0.465 32.163 31.700 -0.002 0.000 0.785 330 G N 3.346 112.106 108.800 -0.065 0.000 2.213 330 G HA2 -0.285 3.685 3.960 0.017 0.000 0.226 330 G HA3 -0.285 3.685 3.960 0.017 0.000 0.226 330 G C 1.025 175.837 174.900 -0.147 0.000 0.992 330 G CA -0.055 45.027 45.100 -0.029 0.000 0.632 330 G HN 0.346 nan 8.290 nan 0.000 0.511 331 M N 0.570 119.955 119.600 -0.359 0.000 2.296 331 M HA 0.095 4.585 4.480 0.017 0.000 0.265 331 M C 2.669 178.444 176.300 -0.874 0.000 1.064 331 M CA 1.439 56.267 55.300 -0.786 0.000 1.109 331 M CB -1.070 30.860 32.600 -1.117 0.000 1.396 331 M HN 0.237 nan 8.290 nan 0.000 0.430 332 V N -0.017 119.669 119.914 -0.380 0.000 2.358 332 V HA -0.241 3.889 4.120 0.017 0.000 0.246 332 V C 2.530 178.693 176.094 0.114 0.000 1.047 332 V CA 1.873 64.191 62.300 0.030 0.000 1.035 332 V CB -0.835 31.052 31.823 0.107 0.000 0.658 332 V HN 0.455 nan 8.190 nan 0.000 0.452 333 R N 0.136 120.666 120.500 0.050 0.000 2.081 333 R HA -0.142 4.208 4.340 0.017 0.000 0.235 333 R C 2.350 178.787 176.300 0.229 0.000 1.131 333 R CA 1.757 57.949 56.100 0.152 0.000 0.960 333 R CB -0.364 30.038 30.300 0.169 0.000 0.856 333 R HN 0.512 nan 8.270 nan 0.000 0.436 334 L N 0.008 121.289 121.223 0.096 0.000 1.994 334 L HA -0.184 4.167 4.340 0.017 0.000 0.208 334 L C 1.955 178.903 176.870 0.131 0.000 1.071 334 L CA 1.382 56.297 54.840 0.125 0.000 0.745 334 L CB -0.389 41.603 42.059 -0.112 0.000 0.892 334 L HN 0.336 nan 8.230 nan 0.000 0.431 335 W N 0.146 121.492 121.300 0.077 0.000 2.342 335 W HA -0.158 4.512 4.660 0.017 0.000 0.297 335 W C 2.580 179.131 176.519 0.053 0.000 1.213 335 W CA 1.566 58.953 57.345 0.070 0.000 1.251 335 W CB -1.718 27.797 29.460 0.091 0.000 1.136 335 W HN 0.244 nan 8.180 nan 0.000 0.526 336 T N -1.086 113.634 114.554 0.277 0.000 2.701 336 T HA -0.234 4.126 4.350 0.017 0.000 0.263 336 T C 1.529 176.245 174.700 0.027 0.000 1.040 336 T CA 1.718 63.862 62.100 0.072 0.000 1.147 336 T CB -0.842 68.045 68.868 0.033 0.000 0.865 336 T HN 0.156 nan 8.240 nan 0.000 0.426 337 W N 1.599 122.995 121.300 0.160 0.000 2.374 337 W HA -0.035 4.635 4.660 0.017 0.000 0.288 337 W C 2.547 179.156 176.519 0.149 0.000 1.218 337 W CA 0.779 58.267 57.345 0.239 0.000 1.245 337 W CB 0.025 29.759 29.460 0.457 0.000 1.126 337 W HN 0.388 nan 8.180 nan 0.000 0.545 338 E N 0.332 120.611 120.200 0.131 0.000 2.072 338 E HA -0.214 4.146 4.350 0.017 0.000 0.191 338 E C 2.266 178.903 176.600 0.062 0.000 0.985 338 E CA 1.404 57.664 56.400 -0.234 0.000 0.801 338 E CB -0.253 29.165 29.700 -0.469 0.000 0.750 338 E HN 0.160 nan 8.360 nan 0.000 0.452 339 A N 1.215 124.001 122.820 -0.056 0.000 1.883 339 A HA -0.172 4.159 4.320 0.017 0.000 0.217 339 A C 2.225 179.687 177.584 -0.204 0.000 1.186 339 A CA 1.324 53.114 52.037 -0.413 0.000 0.624 339 A CB -0.755 18.063 19.000 -0.302 0.000 0.822 339 A HN 0.320 nan 8.150 nan 0.000 0.444 340 L N -0.821 120.326 121.223 -0.126 0.000 2.046 340 L HA -0.207 4.144 4.340 0.017 0.000 0.208 340 L C 3.097 179.916 176.870 -0.085 0.000 1.077 340 L CA 1.081 55.851 54.840 -0.116 0.000 0.747 340 L CB -0.595 41.418 42.059 -0.076 0.000 0.896 340 L HN 0.445 nan 8.230 nan 0.000 0.432 341 A N -1.090 121.646 122.820 -0.141 0.000 1.933 341 A HA -0.219 4.111 4.320 0.017 0.000 0.218 341 A C 1.965 179.420 177.584 -0.215 0.000 1.175 341 A CA 1.332 53.060 52.037 -0.515 0.000 0.628 341 A CB -0.781 17.794 19.000 -0.709 0.000 0.814 341 A HN 0.472 nan 8.150 nan 0.000 0.444 342 H N -1.402 117.650 119.070 -0.031 0.000 2.543 342 H HA 0.201 4.767 4.556 0.017 0.000 0.269 342 H C 1.562 177.030 175.328 0.234 0.000 1.005 342 H CA 0.668 56.788 56.048 0.120 0.000 1.146 342 H CB 0.114 30.002 29.762 0.210 0.000 1.353 342 H HN 0.671 nan 8.280 nan 0.000 0.595 343 G N 0.471 109.362 108.800 0.152 0.000 2.179 343 G HA2 -0.240 3.730 3.960 0.017 0.000 0.220 343 G HA3 -0.240 3.730 3.960 0.017 0.000 0.220 343 G C 0.510 175.238 174.900 -0.286 0.000 0.990 343 G CA -0.019 45.129 45.100 0.080 0.000 0.646 343 G HN 0.595 nan 8.290 nan 0.000 0.517 344 A N 0.306 122.755 122.820 -0.619 0.000 2.548 344 A HA 0.533 4.863 4.320 0.017 0.000 0.247 344 A C 1.175 178.333 177.584 -0.710 0.000 1.067 344 A CA 1.290 52.642 52.037 -1.141 0.000 0.757 344 A CB 0.149 18.663 19.000 -0.811 0.000 0.996 344 A HN 0.531 nan 8.150 nan 0.000 0.504 345 E N 1.042 120.796 120.200 -0.743 0.000 2.107 345 E HA 0.040 4.400 4.350 0.017 0.000 0.191 345 E C -0.243 175.820 176.600 -0.894 0.000 0.982 345 E CA 0.933 56.928 56.400 -0.675 0.000 0.809 345 E CB 0.123 29.465 29.700 -0.596 0.000 0.756 345 E HN 0.491 nan 8.360 nan 0.000 0.459 346 V N 0.773 119.961 119.914 -1.211 0.000 2.888 346 V HA 0.241 4.371 4.120 0.017 0.000 0.309 346 V C -0.833 174.796 176.094 -0.775 0.000 1.114 346 V CA -0.848 60.754 62.300 -1.163 0.000 0.940 346 V CB 2.479 33.077 31.823 -2.041 0.000 1.021 346 V HN -0.219 nan 8.190 nan 0.000 0.426 347 V N 2.744 122.306 119.914 -0.587 0.000 2.376 347 V HA 0.547 4.677 4.120 0.017 0.000 0.287 347 V C -0.020 175.757 176.094 -0.528 0.000 1.015 347 V CA -0.268 61.727 62.300 -0.509 0.000 0.834 347 V CB 1.751 33.276 31.823 -0.497 0.000 1.001 347 V HN 0.870 nan 8.190 nan 0.000 0.428 348 S N 5.074 120.528 115.700 -0.410 0.000 2.449 348 S HA 0.682 5.162 4.470 0.017 0.000 0.310 348 S C -0.938 173.516 174.600 -0.244 0.000 1.096 348 S CA -0.430 57.621 58.200 -0.249 0.000 1.095 348 S CB 0.505 63.684 63.200 -0.035 0.000 1.007 348 S HN 0.479 nan 8.310 nan 0.000 0.474 349 Y N 3.437 123.790 120.300 0.089 0.000 2.304 349 Y HA 0.430 4.990 4.550 0.017 0.000 0.328 349 Y C -0.149 175.907 175.900 0.260 0.000 1.123 349 Y CA -0.572 57.620 58.100 0.153 0.000 1.218 349 Y CB 0.653 39.203 38.460 0.150 0.000 1.207 349 Y HN 0.668 nan 8.280 nan 0.000 0.495 350 F N 5.616 125.771 119.950 0.342 0.000 2.375 350 F HA 0.583 5.120 4.527 0.017 0.000 0.361 350 F C -0.328 175.727 175.800 0.425 0.000 1.117 350 F CA -0.775 57.447 58.000 0.371 0.000 1.037 350 F CB 0.389 39.606 39.000 0.362 0.000 1.192 350 F HN 0.581 nan 8.300 nan 0.000 0.452 351 R N 4.479 124.959 120.500 -0.033 0.000 2.885 351 R HA 0.249 4.599 4.340 0.017 0.000 0.260 351 R C 0.567 177.003 176.300 0.227 0.000 1.107 351 R CA -0.907 55.114 56.100 -0.132 0.000 0.978 351 R CB 0.437 30.374 30.300 -0.605 0.000 1.227 351 R HN 0.758 nan 8.270 nan 0.000 0.473 352 W N 1.197 122.597 121.300 0.167 0.000 2.333 352 W HA -0.057 4.613 4.660 0.016 0.000 0.316 352 W C -0.045 176.611 176.519 0.229 0.000 1.215 352 W CA 1.396 58.867 57.345 0.211 0.000 1.278 352 W CB 0.333 29.917 29.460 0.207 0.000 1.154 352 W HN 0.515 nan 8.180 nan 0.000 0.486 353 R N 1.086 121.742 120.500 0.260 0.000 2.574 353 R HA 0.128 4.478 4.340 0.017 0.000 0.288 353 R C -0.519 175.948 176.300 0.278 0.000 1.004 353 R CA -0.579 55.561 56.100 0.066 0.000 0.895 353 R CB 1.558 31.707 30.300 -0.251 0.000 1.191 353 R HN -0.032 nan 8.270 nan 0.000 0.444 354 Q N 2.904 122.800 119.800 0.160 0.000 2.263 354 Q HA 0.176 4.526 4.340 0.017 0.000 0.289 354 Q C -0.815 175.319 176.000 0.223 0.000 1.061 354 Q CA 0.095 55.997 55.803 0.164 0.000 0.927 354 Q CB 0.865 29.664 28.738 0.101 0.000 1.154 354 Q HN 0.662 nan 8.270 nan 0.000 0.378 355 A N 6.261 129.116 122.820 0.058 0.000 2.401 355 A HA 0.290 4.620 4.320 0.017 0.000 0.259 355 A C -1.833 175.550 177.584 -0.335 0.000 1.103 355 A CA -1.185 50.673 52.037 -0.299 0.000 0.789 355 A CB 0.292 18.919 19.000 -0.621 0.000 1.035 355 A HN 0.800 nan 8.150 nan 0.000 0.491 356 P HA 0.147 nan 4.420 nan 0.000 0.261 356 P C -0.374 176.836 177.300 -0.149 0.000 1.268 356 P CA 0.439 63.425 63.100 -0.189 0.000 0.833 356 P CB -0.197 31.496 31.700 -0.012 0.000 1.231 357 F N -1.954 117.948 119.950 -0.079 0.000 2.640 357 F HA 0.815 5.352 4.527 0.017 0.000 0.324 357 F C 0.114 175.834 175.800 -0.134 0.000 1.077 357 F CA -1.218 56.718 58.000 -0.107 0.000 0.965 357 F CB 0.632 39.546 39.000 -0.144 0.000 1.351 357 F HN 0.046 nan 8.300 nan 0.000 0.487 358 A N 0.819 123.757 122.820 0.196 0.000 6.506 358 A HA -0.247 4.083 4.320 0.017 0.000 0.234 358 A C 0.898 178.485 177.584 0.006 0.000 2.257 358 A CA 0.852 52.932 52.037 0.072 0.000 0.695 358 A CB -1.853 17.196 19.000 0.082 0.000 0.929 358 A HN 0.991 nan 8.150 nan 0.000 0.364 359 Q N -0.572 119.211 119.800 -0.028 0.000 2.133 359 Q HA -0.151 4.199 4.340 0.017 0.000 0.208 359 Q C 1.330 177.337 176.000 0.012 0.000 0.991 359 Q CA 2.414 58.203 55.803 -0.025 0.000 0.867 359 Q CB -0.115 28.586 28.738 -0.062 0.000 0.911 359 Q HN 0.721 nan 8.270 nan 0.000 0.417 360 E N 0.026 120.231 120.200 0.009 0.000 2.499 360 E HA -0.018 4.342 4.350 0.017 0.000 0.207 360 E C 0.905 177.544 176.600 0.064 0.000 1.034 360 E CA -0.149 56.299 56.400 0.080 0.000 1.098 360 E CB 0.198 29.964 29.700 0.110 0.000 1.148 360 E HN 0.462 nan 8.360 nan 0.000 0.447 361 Q N 0.018 119.823 119.800 0.008 0.000 2.291 361 Q HA -0.107 4.243 4.340 0.017 0.000 0.206 361 Q C 1.401 177.421 176.000 0.033 0.000 0.976 361 Q CA 0.939 56.731 55.803 -0.018 0.000 0.875 361 Q CB -0.003 28.719 28.738 -0.027 0.000 0.927 361 Q HN 0.219 nan 8.270 nan 0.000 0.450 362 M N 0.392 120.028 119.600 0.060 0.000 2.431 362 M HA 0.130 4.620 4.480 0.017 0.000 0.237 362 M C 0.101 176.448 176.300 0.078 0.000 1.130 362 M CA 0.252 55.582 55.300 0.050 0.000 1.002 362 M CB -0.355 32.258 32.600 0.021 0.000 1.524 362 M HN 0.184 nan 8.290 nan 0.000 0.482 363 H N 1.570 120.671 119.070 0.051 0.000 2.782 363 H HA 0.524 5.090 4.556 0.017 0.000 0.285 363 H C -0.617 174.776 175.328 0.108 0.000 1.093 363 H CA -0.379 55.730 56.048 0.101 0.000 1.410 363 H CB 0.733 30.617 29.762 0.203 0.000 1.439 363 H HN 0.223 nan 8.280 nan 0.000 0.469 364 A N 3.560 126.493 122.820 0.190 0.000 2.429 364 A HA 0.500 4.830 4.320 0.017 0.000 0.242 364 A C 0.748 178.509 177.584 0.295 0.000 1.088 364 A CA 0.426 52.573 52.037 0.183 0.000 0.784 364 A CB 0.195 19.243 19.000 0.081 0.000 1.038 364 A HN 0.838 nan 8.150 nan 0.000 0.501 365 G N -1.586 107.305 108.800 0.152 0.000 3.105 365 G HA2 0.474 4.444 3.960 0.017 0.000 0.277 365 G HA3 0.474 4.444 3.960 0.017 0.000 0.277 365 G C 0.358 175.255 174.900 -0.005 0.000 1.375 365 G CA -0.625 44.546 45.100 0.119 0.000 0.962 365 G HN 0.584 nan 8.290 nan 0.000 0.541 366 L N -0.598 120.577 121.223 -0.081 0.000 2.291 366 L HA 0.146 4.496 4.340 0.017 0.000 0.214 366 L C 0.450 176.923 176.870 -0.662 0.000 1.120 366 L CA 0.825 55.481 54.840 -0.306 0.000 0.799 366 L CB -0.316 41.570 42.059 -0.288 0.000 0.925 366 L HN 0.363 nan 8.230 nan 0.000 0.446 367 H N -1.578 117.237 119.070 -0.425 0.000 2.690 367 H HA 0.457 5.023 4.556 0.017 0.000 0.368 367 H C -0.356 174.818 175.328 -0.257 0.000 1.150 367 H CA -0.894 54.882 56.048 -0.454 0.000 1.174 367 H CB 1.067 30.405 29.762 -0.706 0.000 1.684 367 H HN -0.092 nan 8.280 nan 0.000 0.538 368 R N 2.148 122.592 120.500 -0.093 0.000 2.726 368 R HA 0.098 4.448 4.340 0.017 0.000 0.272 368 R C -1.655 174.624 176.300 -0.034 0.000 1.097 368 R CA -1.521 54.553 56.100 -0.043 0.000 1.198 368 R CB -0.041 30.237 30.300 -0.037 0.000 1.114 368 R HN 0.456 nan 8.270 nan 0.000 0.550 369 P HA -0.178 nan 4.420 nan 0.000 0.218 369 P C 0.124 177.433 177.300 0.016 0.000 1.146 369 P CA 1.357 64.493 63.100 0.061 0.000 0.813 369 P CB 0.039 31.789 31.700 0.084 0.000 0.778 370 D N -2.456 117.937 120.400 -0.011 0.000 2.319 370 D HA 0.060 4.710 4.640 0.017 0.000 0.230 370 D C 0.333 176.588 176.300 -0.073 0.000 1.094 370 D CA -0.080 53.907 54.000 -0.021 0.000 0.856 370 D CB -0.693 40.103 40.800 -0.006 0.000 0.915 370 D HN -0.103 nan 8.370 nan 0.000 0.517 371 S N -2.040 113.579 115.700 -0.135 0.000 2.929 371 S HA -0.194 4.286 4.470 0.017 0.000 0.271 371 S C 0.740 175.251 174.600 -0.148 0.000 1.295 371 S CA 0.555 58.629 58.200 -0.210 0.000 1.277 371 S CB -1.800 61.272 63.200 -0.213 0.000 1.557 371 S HN 0.903 nan 8.310 nan 0.000 0.666 372 A N 2.355 125.114 122.820 -0.101 0.000 2.425 372 A HA 0.534 4.864 4.320 0.017 0.000 0.249 372 A C -1.757 175.726 177.584 -0.170 0.000 1.084 372 A CA -1.059 50.919 52.037 -0.098 0.000 0.781 372 A CB 0.051 19.017 19.000 -0.057 0.000 1.019 372 A HN 0.251 nan 8.150 nan 0.000 0.490 373 P HA 0.080 nan 4.420 nan 0.000 0.268 373 P C -0.729 176.337 177.300 -0.389 0.000 1.204 373 P CA 0.074 62.725 63.100 -0.748 0.000 0.768 373 P CB 0.863 31.871 31.700 -1.154 0.000 0.842 374 D N 0.976 121.123 120.400 -0.423 0.000 2.478 374 D HA 0.073 4.723 4.640 0.017 0.000 0.263 374 D C 1.331 177.612 176.300 -0.031 0.000 1.153 374 D CA -0.597 53.314 54.000 -0.149 0.000 1.038 374 D CB 1.029 41.741 40.800 -0.147 0.000 1.120 374 D HN 0.340 nan 8.370 nan 0.000 0.564 375 Q N 0.174 120.014 119.800 0.066 0.000 2.112 375 Q HA -0.145 4.205 4.340 0.017 0.000 0.206 375 Q C 1.704 177.742 176.000 0.064 0.000 0.987 375 Q CA 2.133 58.020 55.803 0.140 0.000 0.858 375 Q CB -0.461 28.319 28.738 0.069 0.000 0.905 375 Q HN 0.656 nan 8.270 nan 0.000 0.420 376 G N -0.142 108.636 108.800 -0.036 0.000 2.432 376 G HA2 -0.284 3.686 3.960 0.017 0.000 0.219 376 G HA3 -0.284 3.686 3.960 0.017 0.000 0.219 376 G C 1.108 175.856 174.900 -0.253 0.000 1.135 376 G CA 0.599 45.632 45.100 -0.113 0.000 0.767 376 G HN 0.482 nan 8.290 nan 0.000 0.550 377 F N 1.144 120.805 119.950 -0.481 0.000 2.075 377 F HA -0.008 4.529 4.527 0.017 0.000 0.297 377 F C 2.231 177.724 175.800 -0.512 0.000 1.113 377 F CA 1.310 58.914 58.000 -0.661 0.000 1.218 377 F CB -0.280 38.089 39.000 -1.052 0.000 0.984 377 F HN 0.120 nan 8.300 nan 0.000 0.472 378 F N 1.057 120.919 119.950 -0.148 0.000 2.171 378 F HA -0.126 4.412 4.527 0.017 0.000 0.300 378 F C 2.425 178.105 175.800 -0.201 0.000 1.090 378 F CA 1.647 59.543 58.000 -0.174 0.000 1.293 378 F CB -1.047 37.947 39.000 -0.011 0.000 1.013 378 F HN 0.080 nan 8.300 nan 0.000 0.486 379 E N 0.008 120.200 120.200 -0.015 0.000 2.107 379 E HA -0.132 4.228 4.350 0.017 0.000 0.191 379 E C 2.438 178.978 176.600 -0.100 0.000 0.982 379 E CA 0.908 57.294 56.400 -0.024 0.000 0.809 379 E CB -0.307 29.387 29.700 -0.010 0.000 0.756 379 E HN 0.359 nan 8.360 nan 0.000 0.459 380 A N 1.795 124.450 122.820 -0.275 0.000 1.898 380 A HA -0.205 4.125 4.320 0.017 0.000 0.216 380 A C 2.064 179.493 177.584 -0.257 0.000 1.181 380 A CA 1.487 53.339 52.037 -0.309 0.000 0.620 380 A CB -0.329 18.252 19.000 -0.699 0.000 0.819 380 A HN 0.052 nan 8.150 nan 0.000 0.442 381 K N -0.662 119.489 120.400 -0.415 0.000 2.097 381 K HA -0.216 4.114 4.320 0.017 0.000 0.206 381 K C 2.279 178.804 176.600 -0.124 0.000 1.049 381 K CA 1.592 57.676 56.287 -0.339 0.000 0.933 381 K CB -0.127 32.065 32.500 -0.515 0.000 0.717 381 K HN 0.266 nan 8.250 nan 0.000 0.442 382 R N 0.729 121.192 120.500 -0.061 0.000 2.081 382 R HA -0.079 4.271 4.340 0.017 0.000 0.235 382 R C 1.923 178.276 176.300 0.088 0.000 1.131 382 R CA 1.639 57.764 56.100 0.041 0.000 0.960 382 R CB -0.776 29.571 30.300 0.079 0.000 0.856 382 R HN 0.094 nan 8.270 nan 0.000 0.436 383 V N 0.912 120.857 119.914 0.052 0.000 2.407 383 V HA -0.192 3.938 4.120 0.017 0.000 0.248 383 V C 2.382 178.453 176.094 -0.040 0.000 1.055 383 V CA 1.855 64.163 62.300 0.012 0.000 1.049 383 V CB -1.022 30.683 31.823 -0.197 0.000 0.662 383 V HN 0.528 nan 8.190 nan 0.000 0.455 384 A N -0.066 122.722 122.820 -0.054 0.000 1.908 384 A HA -0.261 4.069 4.320 0.017 0.000 0.218 384 A C 2.174 179.766 177.584 0.014 0.000 1.181 384 A CA 2.010 54.019 52.037 -0.046 0.000 0.627 384 A CB -0.456 18.512 19.000 -0.055 0.000 0.818 384 A HN 0.649 nan 8.150 nan 0.000 0.445 385 E N -0.320 119.904 120.200 0.039 0.000 2.106 385 E HA -0.183 4.177 4.350 0.017 0.000 0.192 385 E C 1.995 178.670 176.600 0.126 0.000 0.984 385 E CA 1.308 57.749 56.400 0.069 0.000 0.806 385 E CB -0.186 29.551 29.700 0.062 0.000 0.750 385 E HN 0.756 nan 8.360 nan 0.000 0.458 386 E N 0.669 120.990 120.200 0.201 0.000 2.072 386 E HA -0.159 4.202 4.350 0.017 0.000 0.190 386 E C 2.095 178.939 176.600 0.408 0.000 0.982 386 E CA 0.514 57.108 56.400 0.324 0.000 0.803 386 E CB -0.036 29.972 29.700 0.514 0.000 0.755 386 E HN 0.076 nan 8.360 nan 0.000 0.453 387 L N 1.119 122.559 121.223 0.361 0.000 2.131 387 L HA -0.067 4.283 4.340 0.017 0.000 0.210 387 L C 2.178 179.164 176.870 0.193 0.000 1.092 387 L CA 1.669 56.685 54.840 0.294 0.000 0.759 387 L CB -0.533 41.500 42.059 -0.043 0.000 0.903 387 L HN 0.033 nan 8.230 nan 0.000 0.435 388 A N -0.584 122.311 122.820 0.125 0.000 1.978 388 A HA -0.059 4.271 4.320 0.017 0.000 0.220 388 A C 2.194 179.842 177.584 0.107 0.000 1.170 388 A CA 1.666 53.755 52.037 0.088 0.000 0.636 388 A CB -0.855 18.181 19.000 0.061 0.000 0.810 388 A HN 0.546 nan 8.150 nan 0.000 0.448 389 A N -1.539 121.363 122.820 0.138 0.000 2.348 389 A HA 0.578 4.908 4.320 0.017 0.000 0.224 389 A C 0.612 178.297 177.584 0.169 0.000 1.227 389 A CA -0.111 52.002 52.037 0.126 0.000 0.885 389 A CB 0.001 19.061 19.000 0.099 0.000 0.933 389 A HN 0.335 nan 8.150 nan 0.000 0.506 390 L N 0.954 122.324 121.223 0.246 0.000 2.732 390 L HA 0.407 4.757 4.340 0.017 0.000 0.246 390 L C 0.434 177.531 176.870 0.378 0.000 1.407 390 L CA -0.626 54.426 54.840 0.353 0.000 0.861 390 L CB 0.893 43.197 42.059 0.409 0.000 1.161 390 L HN 0.270 nan 8.230 nan 0.000 0.510 391 A N 1.765 124.734 122.820 0.250 0.000 2.540 391 A HA 0.357 4.687 4.320 0.017 0.000 0.239 391 A C 0.049 177.680 177.584 0.079 0.000 1.061 391 A CA 0.244 52.365 52.037 0.139 0.000 0.758 391 A CB 0.135 19.184 19.000 0.081 0.000 0.991 391 A HN 0.538 nan 8.150 nan 0.000 0.502 392 L N 3.698 124.911 121.223 -0.017 0.000 2.334 392 L HA 0.380 4.730 4.340 0.017 0.000 0.277 392 L C -1.908 174.742 176.870 -0.366 0.000 1.075 392 L CA -1.904 52.799 54.840 -0.227 0.000 0.804 392 L CB 0.965 43.011 42.059 -0.022 0.000 1.174 392 L HN 0.500 nan 8.230 nan 0.000 0.438 393 P HA 0.187 nan 4.420 nan 0.000 0.273 393 P C -2.527 174.606 177.300 -0.278 0.000 1.250 393 P CA -0.983 61.822 63.100 -0.492 0.000 0.793 393 P CB -0.101 31.163 31.700 -0.726 0.000 1.011 394 P HA 0.037 nan 4.420 nan 0.000 0.274 394 P C -0.693 176.548 177.300 -0.098 0.000 1.237 394 P CA -0.007 63.022 63.100 -0.117 0.000 0.793 394 P CB 0.509 32.158 31.700 -0.086 0.000 0.977 395 V N 1.709 121.587 119.914 -0.059 0.000 2.555 395 V HA 0.309 4.439 4.120 0.017 0.000 0.286 395 V C 0.974 177.052 176.094 -0.027 0.000 1.044 395 V CA 0.167 62.447 62.300 -0.033 0.000 1.026 395 V CB 0.193 32.021 31.823 0.009 0.000 0.981 395 V HN 0.766 nan 8.190 nan 0.000 0.480 396 A N 4.314 127.117 122.820 -0.029 0.000 2.281 396 A HA 0.569 4.899 4.320 0.017 0.000 0.329 396 A C -0.073 177.500 177.584 -0.018 0.000 1.122 396 A CA -0.656 51.363 52.037 -0.030 0.000 0.850 396 A CB 0.778 19.755 19.000 -0.038 0.000 1.207 396 A HN 0.794 nan 8.150 nan 0.000 0.495 397 Q N 0.441 120.217 119.800 -0.041 0.000 2.330 397 Q HA 0.409 4.759 4.340 0.017 0.000 0.279 397 Q C 0.274 176.266 176.000 -0.013 0.000 1.024 397 Q CA 0.020 55.793 55.803 -0.051 0.000 0.900 397 Q CB 0.569 29.195 28.738 -0.185 0.000 1.221 397 Q HN 0.896 nan 8.270 nan 0.000 0.396 398 A N 5.459 128.336 122.820 0.095 0.000 2.313 398 A HA 0.283 4.613 4.320 0.017 0.000 0.261 398 A C -1.730 175.936 177.584 0.136 0.000 1.090 398 A CA -1.124 50.978 52.037 0.109 0.000 0.807 398 A CB -0.007 19.070 19.000 0.128 0.000 1.055 398 A HN 0.813 nan 8.150 nan 0.000 0.492 399 P HA 0.035 nan 4.420 nan 0.000 0.222 399 P C -0.019 177.289 177.300 0.013 0.000 1.153 399 P CA 0.862 63.984 63.100 0.037 0.000 0.798 399 P CB 0.079 31.777 31.700 -0.003 0.000 0.796 400 V N 0.114 119.971 119.914 -0.096 0.000 2.604 400 V HA 0.662 4.792 4.120 0.017 0.000 0.305 400 V C -0.059 175.776 176.094 -0.431 0.000 1.043 400 V CA -1.129 60.922 62.300 -0.415 0.000 0.888 400 V CB 1.798 33.218 31.823 -0.672 0.000 0.995 400 V HN 0.059 nan 8.190 nan 0.000 0.429 401 A N 4.400 126.790 122.820 -0.717 0.000 2.324 401 A HA 0.904 5.234 4.320 0.017 0.000 0.330 401 A C -1.000 176.342 177.584 -0.404 0.000 1.165 401 A CA -0.552 51.003 52.037 -0.804 0.000 0.813 401 A CB 1.243 19.432 19.000 -1.352 0.000 1.197 401 A HN 0.925 nan 8.150 nan 0.000 0.484 402 L N 3.369 124.450 121.223 -0.236 0.000 2.343 402 L HA 0.580 4.930 4.340 0.017 0.000 0.278 402 L C -1.234 175.621 176.870 -0.025 0.000 0.996 402 L CA -0.727 54.054 54.840 -0.099 0.000 0.831 402 L CB 1.642 43.715 42.059 0.024 0.000 1.232 402 L HN 0.439 nan 8.230 nan 0.000 0.413 403 V N 5.693 125.606 119.914 -0.000 0.000 2.408 403 V HA 0.215 4.345 4.120 0.017 0.000 0.267 403 V C -0.220 175.971 176.094 0.162 0.000 1.047 403 V CA -0.041 62.303 62.300 0.073 0.000 0.937 403 V CB 0.699 32.595 31.823 0.122 0.000 0.999 403 V HN 0.532 nan 8.190 nan 0.000 0.472 404 F N 4.401 124.383 119.950 0.053 0.000 2.480 404 F HA 0.706 5.243 4.527 0.016 0.000 0.329 404 F C -0.337 175.524 175.800 0.102 0.000 1.091 404 F CA -0.567 57.500 58.000 0.111 0.000 0.972 404 F CB 1.822 40.862 39.000 0.067 0.000 1.150 404 F HN 0.526 nan 8.300 nan 0.000 0.467 405 D N 3.460 123.584 120.400 -0.460 0.000 2.855 405 D HA 0.202 4.852 4.640 0.017 0.000 0.241 405 D C -0.253 175.622 176.300 -0.708 0.000 1.277 405 D CA -0.287 53.500 54.000 -0.356 0.000 0.918 405 D CB 0.922 41.555 40.800 -0.279 0.000 1.462 405 D HN 0.450 nan 8.370 nan 0.000 0.559 406 Y N 1.740 121.812 120.300 -0.380 0.000 2.242 406 Y HA -0.038 4.522 4.550 0.017 0.000 0.291 406 Y C 2.205 177.349 175.900 -1.260 0.000 1.137 406 Y CA 1.197 58.898 58.100 -0.666 0.000 1.181 406 Y CB 0.071 38.218 38.460 -0.522 0.000 0.989 406 Y HN 0.576 nan 8.280 nan 0.000 0.527 407 E N 0.218 119.874 120.200 -0.906 0.000 2.110 407 E HA -0.225 4.135 4.350 0.017 0.000 0.193 407 E C 2.311 178.545 176.600 -0.610 0.000 0.988 407 E CA 0.935 56.870 56.400 -0.775 0.000 0.804 407 E CB -0.146 29.341 29.700 -0.355 0.000 0.745 407 E HN 0.434 nan 8.360 nan 0.000 0.458 408 A N 1.198 123.584 122.820 -0.723 0.000 1.902 408 A HA -0.115 4.215 4.320 0.017 0.000 0.217 408 A C 2.406 179.415 177.584 -0.959 0.000 1.181 408 A CA 1.749 53.255 52.037 -0.886 0.000 0.623 408 A CB -0.782 17.649 19.000 -0.948 0.000 0.818 408 A HN 0.414 nan 8.150 nan 0.000 0.443 409 A N -1.002 121.225 122.820 -0.987 0.000 1.908 409 A HA -0.164 4.167 4.320 0.017 0.000 0.218 409 A C 1.990 179.548 177.584 -0.045 0.000 1.181 409 A CA 1.578 53.347 52.037 -0.447 0.000 0.627 409 A CB -0.819 18.034 19.000 -0.246 0.000 0.818 409 A HN 0.752 nan 8.150 nan 0.000 0.445 410 W N -0.191 121.027 121.300 -0.137 0.000 2.381 410 W HA -0.040 4.632 4.660 0.019 0.000 0.301 410 W C 2.116 178.663 176.519 0.047 0.000 1.205 410 W CA 0.296 57.659 57.345 0.030 0.000 1.285 410 W CB -1.316 28.206 29.460 0.103 0.000 1.133 410 W HN 0.282 nan 8.180 nan 0.000 0.521 411 I N -0.974 119.590 120.570 -0.010 0.000 2.208 411 I HA -0.350 3.830 4.170 0.017 0.000 0.245 411 I C 2.168 178.235 176.117 -0.082 0.000 1.097 411 I CA 1.661 62.821 61.300 -0.234 0.000 1.363 411 I CB -0.700 36.819 38.000 -0.801 0.000 1.051 411 I HN -0.068 nan 8.210 nan 0.000 0.413 412 Y N 0.212 120.565 120.300 0.089 0.000 2.457 412 Y HA -0.177 4.383 4.550 0.017 0.000 0.292 412 Y C 2.577 178.614 175.900 0.228 0.000 1.125 412 Y CA 0.596 58.787 58.100 0.152 0.000 1.254 412 Y CB -0.095 38.563 38.460 0.330 0.000 1.012 412 Y HN 0.242 nan 8.280 nan 0.000 0.555 413 E N 0.310 120.727 120.200 0.361 0.000 2.072 413 E HA -0.138 4.222 4.350 0.017 0.000 0.190 413 E C 1.980 178.772 176.600 0.320 0.000 0.982 413 E CA 1.171 57.767 56.400 0.326 0.000 0.803 413 E CB -0.018 29.869 29.700 0.311 0.000 0.755 413 E HN 0.225 nan 8.360 nan 0.000 0.453 414 V N 0.552 120.677 119.914 0.351 0.000 2.379 414 V HA -0.142 3.988 4.120 0.017 0.000 0.245 414 V C 1.550 177.752 176.094 0.180 0.000 1.044 414 V CA 1.593 64.046 62.300 0.255 0.000 1.036 414 V CB -0.128 31.863 31.823 0.280 0.000 0.664 414 V HN 0.308 nan 8.190 nan 0.000 0.453 415 Q N 0.106 120.064 119.800 0.264 0.000 2.907 415 Q HA 0.208 4.558 4.340 0.017 0.000 0.262 415 Q C -1.911 174.197 176.000 0.179 0.000 0.997 415 Q CA -1.554 54.367 55.803 0.197 0.000 0.797 415 Q CB 1.850 30.742 28.738 0.256 0.000 1.228 415 Q HN 0.321 nan 8.270 nan 0.000 0.466 416 P HA -0.178 nan 4.420 nan 0.000 0.217 416 P C 0.538 177.883 177.300 0.075 0.000 1.151 416 P CA 0.971 64.158 63.100 0.145 0.000 0.828 416 P CB 0.456 32.281 31.700 0.208 0.000 0.788 417 Q N -0.871 119.013 119.800 0.140 0.000 2.204 417 Q HA -0.172 4.178 4.340 0.017 0.000 0.158 417 Q C 0.230 176.386 176.000 0.260 0.000 0.604 417 Q CA 1.842 57.767 55.803 0.202 0.000 1.414 417 Q CB -2.125 26.797 28.738 0.307 0.000 1.448 417 Q HN 0.461 nan 8.270 nan 0.000 0.905 418 G N -1.751 107.222 108.800 0.288 0.000 2.732 418 G HA2 0.687 4.657 3.960 0.017 0.000 0.295 418 G HA3 0.687 4.657 3.960 0.017 0.000 0.295 418 G C 0.435 175.448 174.900 0.189 0.000 1.456 418 G CA 0.017 45.278 45.100 0.269 0.000 1.050 418 G HN 0.561 nan 8.290 nan 0.000 0.525 419 A N 1.714 124.602 122.820 0.113 0.000 1.978 419 A HA -0.026 4.305 4.320 0.017 0.000 0.220 419 A C 1.777 179.385 177.584 0.040 0.000 1.170 419 A CA 1.930 54.012 52.037 0.076 0.000 0.636 419 A CB -0.052 18.976 19.000 0.046 0.000 0.810 419 A HN 0.567 nan 8.150 nan 0.000 0.448 420 E N -1.420 118.774 120.200 -0.010 0.000 2.479 420 E HA 0.028 4.388 4.350 0.017 0.000 0.193 420 E C 0.291 176.730 176.600 -0.268 0.000 1.049 420 E CA -0.376 55.939 56.400 -0.143 0.000 0.870 420 E CB -0.022 29.544 29.700 -0.224 0.000 0.944 420 E HN 0.692 nan 8.360 nan 0.000 0.492 421 W N 1.850 122.990 121.300 -0.267 0.000 2.308 421 W HA 0.266 4.935 4.660 0.016 0.000 0.324 421 W C -0.421 176.009 176.519 -0.147 0.000 1.387 421 W CA 0.330 57.484 57.345 -0.318 0.000 1.250 421 W CB 0.791 30.112 29.460 -0.232 0.000 1.257 421 W HN -0.129 nan 8.180 nan 0.000 0.554 422 S N 6.044 121.395 115.700 -0.581 0.000 2.733 422 S HA 0.155 4.635 4.470 0.017 0.000 0.294 422 S C 0.206 174.640 174.600 -0.278 0.000 1.149 422 S CA -0.662 57.401 58.200 -0.228 0.000 1.034 422 S CB 0.689 63.801 63.200 -0.146 0.000 1.015 422 S HN 0.485 nan 8.310 nan 0.000 0.486 423 Y N 5.494 125.707 120.300 -0.144 0.000 2.114 423 Y HA -0.008 4.553 4.550 0.017 0.000 0.284 423 Y C 1.523 177.355 175.900 -0.113 0.000 1.143 423 Y CA 1.922 59.975 58.100 -0.079 0.000 1.135 423 Y CB -0.302 38.266 38.460 0.179 0.000 0.980 423 Y HN 0.750 nan 8.280 nan 0.000 0.499 424 L N -0.607 120.499 121.223 -0.195 0.000 2.131 424 L HA -0.158 4.192 4.340 0.017 0.000 0.210 424 L C 2.659 179.336 176.870 -0.323 0.000 1.092 424 L CA 1.219 55.895 54.840 -0.274 0.000 0.759 424 L CB -1.166 40.815 42.059 -0.131 0.000 0.903 424 L HN 0.418 nan 8.230 nan 0.000 0.435 425 G N 0.045 108.693 108.800 -0.254 0.000 2.422 425 G HA2 -0.267 3.703 3.960 0.017 0.000 0.218 425 G HA3 -0.267 3.703 3.960 0.017 0.000 0.218 425 G C 1.555 176.331 174.900 -0.207 0.000 1.146 425 G CA 0.577 45.573 45.100 -0.173 0.000 0.769 425 G HN 0.204 nan 8.290 nan 0.000 0.547 426 L N 0.729 121.730 121.223 -0.369 0.000 2.056 426 L HA 0.062 4.412 4.340 0.017 0.000 0.207 426 L C 2.926 179.545 176.870 -0.419 0.000 1.078 426 L CA 1.281 55.705 54.840 -0.695 0.000 0.749 426 L CB -0.527 40.991 42.059 -0.902 0.000 0.901 426 L HN 0.076 nan 8.230 nan 0.000 0.433 427 V N -1.079 118.589 119.914 -0.410 0.000 2.295 427 V HA -0.338 3.792 4.120 0.017 0.000 0.246 427 V C 2.299 178.277 176.094 -0.193 0.000 1.049 427 V CA 2.109 64.247 62.300 -0.269 0.000 1.024 427 V CB -0.877 30.712 31.823 -0.389 0.000 0.648 427 V HN 0.546 nan 8.190 nan 0.000 0.447 428 Y N -0.053 119.985 120.300 -0.437 0.000 2.224 428 Y HA -0.201 4.359 4.550 0.017 0.000 0.289 428 Y C 2.265 178.050 175.900 -0.193 0.000 1.146 428 Y CA 1.660 59.531 58.100 -0.381 0.000 1.182 428 Y CB -0.103 38.124 38.460 -0.387 0.000 0.983 428 Y HN 0.175 nan 8.280 nan 0.000 0.524 429 L N -1.474 119.648 121.223 -0.169 0.000 2.017 429 L HA -0.252 4.098 4.340 0.017 0.000 0.208 429 L C 2.020 178.708 176.870 -0.304 0.000 1.073 429 L CA 1.571 56.241 54.840 -0.282 0.000 0.745 429 L CB -0.514 41.260 42.059 -0.476 0.000 0.894 429 L HN 0.130 nan 8.230 nan 0.000 0.432 430 F N -1.253 118.566 119.950 -0.219 0.000 2.146 430 F HA -0.225 4.312 4.527 0.017 0.000 0.298 430 F C 2.368 178.093 175.800 -0.124 0.000 1.096 430 F CA 1.611 59.509 58.000 -0.171 0.000 1.275 430 F CB -0.938 37.962 39.000 -0.166 0.000 1.008 430 F HN 0.125 nan 8.300 nan 0.000 0.480 431 Y N 0.522 120.787 120.300 -0.058 0.000 2.097 431 Y HA -0.278 4.283 4.550 0.017 0.000 0.282 431 Y C 2.643 178.445 175.900 -0.163 0.000 1.152 431 Y CA 1.951 59.980 58.100 -0.118 0.000 1.136 431 Y CB -0.784 37.547 38.460 -0.216 0.000 0.975 431 Y HN -0.078 nan 8.280 nan 0.000 0.498 432 S N 0.200 115.744 115.700 -0.260 0.000 2.382 432 S HA -0.217 4.263 4.470 0.017 0.000 0.228 432 S C 2.236 176.734 174.600 -0.170 0.000 1.027 432 S CA 0.990 59.038 58.200 -0.253 0.000 0.991 432 S CB -0.792 62.292 63.200 -0.194 0.000 0.823 432 S HN 0.643 nan 8.310 nan 0.000 0.469 433 A N 1.373 124.117 122.820 -0.126 0.000 1.902 433 A HA -0.017 4.314 4.320 0.017 0.000 0.217 433 A C 2.099 179.650 177.584 -0.055 0.000 1.181 433 A CA 1.152 53.149 52.037 -0.067 0.000 0.623 433 A CB -0.666 18.308 19.000 -0.044 0.000 0.818 433 A HN 0.460 nan 8.150 nan 0.000 0.443 434 L N -1.143 120.026 121.223 -0.089 0.000 2.056 434 L HA -0.151 4.199 4.340 0.017 0.000 0.207 434 L C 2.863 179.649 176.870 -0.141 0.000 1.078 434 L CA 1.022 55.807 54.840 -0.091 0.000 0.749 434 L CB -0.484 41.492 42.059 -0.138 0.000 0.901 434 L HN 0.295 nan 8.230 nan 0.000 0.433 435 R N -0.028 120.313 120.500 -0.266 0.000 2.096 435 R HA -0.076 4.274 4.340 0.017 0.000 0.235 435 R C 2.196 178.457 176.300 -0.067 0.000 1.127 435 R CA 0.864 56.840 56.100 -0.207 0.000 0.968 435 R CB -0.413 29.699 30.300 -0.313 0.000 0.861 435 R HN 0.290 nan 8.270 nan 0.000 0.440 436 R N 0.772 121.240 120.500 -0.054 0.000 2.280 436 R HA 0.042 4.392 4.340 0.017 0.000 0.207 436 R C 1.842 178.155 176.300 0.021 0.000 1.043 436 R CA 0.528 56.629 56.100 0.002 0.000 1.006 436 R CB -0.177 30.128 30.300 0.008 0.000 0.885 436 R HN 0.268 nan 8.270 nan 0.000 0.467 437 L N -0.733 120.498 121.223 0.013 0.000 2.607 437 L HA 0.181 4.531 4.340 0.017 0.000 0.228 437 L C 1.016 177.912 176.870 0.043 0.000 1.123 437 L CA 0.392 55.252 54.840 0.035 0.000 0.890 437 L CB 0.186 42.272 42.059 0.045 0.000 1.103 437 L HN 0.291 nan 8.230 nan 0.000 0.468 438 G N 0.683 109.506 108.800 0.038 0.000 2.148 438 G HA2 -0.272 3.699 3.960 0.017 0.000 0.254 438 G HA3 -0.272 3.699 3.960 0.017 0.000 0.254 438 G C 0.140 175.063 174.900 0.040 0.000 0.981 438 G CA -0.115 45.019 45.100 0.056 0.000 0.670 438 G HN 0.229 nan 8.290 nan 0.000 0.528 439 L N 0.512 121.742 121.223 0.012 0.000 2.334 439 L HA 0.496 4.846 4.340 0.017 0.000 0.277 439 L C 0.110 176.964 176.870 -0.028 0.000 1.075 439 L CA -0.994 53.844 54.840 -0.004 0.000 0.804 439 L CB 0.826 42.878 42.059 -0.011 0.000 1.174 439 L HN -0.042 nan 8.230 nan 0.000 0.438 440 D N 1.347 121.737 120.400 -0.016 0.000 2.313 440 D HA 0.468 5.119 4.640 0.017 0.000 0.247 440 D C -0.603 175.689 176.300 -0.013 0.000 1.094 440 D CA 0.010 54.006 54.000 -0.007 0.000 0.925 440 D CB 1.942 42.740 40.800 -0.004 0.000 1.188 440 D HN 0.020 nan 8.370 nan 0.000 0.430 441 V N 1.915 121.849 119.914 0.032 0.000 2.789 441 V HA 0.334 4.464 4.120 0.017 0.000 0.311 441 V C -0.695 175.438 176.094 0.064 0.000 1.073 441 V CA -0.894 61.427 62.300 0.034 0.000 0.921 441 V CB 2.310 34.191 31.823 0.096 0.000 1.009 441 V HN 0.385 nan 8.190 nan 0.000 0.426 442 D N 2.227 122.629 120.400 0.003 0.000 2.308 442 D HA 0.516 5.166 4.640 0.017 0.000 0.242 442 D C -0.626 175.626 176.300 -0.081 0.000 1.059 442 D CA -0.131 53.871 54.000 0.004 0.000 0.830 442 D CB 2.339 43.205 40.800 0.111 0.000 1.161 442 D HN 0.242 nan 8.370 nan 0.000 0.494 443 V N 2.916 122.779 119.914 -0.085 0.000 2.407 443 V HA 0.448 4.578 4.120 0.017 0.000 0.278 443 V C 0.407 176.509 176.094 0.013 0.000 1.037 443 V CA -0.560 61.689 62.300 -0.085 0.000 0.900 443 V CB 1.352 33.014 31.823 -0.267 0.000 0.983 443 V HN 0.404 nan 8.190 nan 0.000 0.459 444 V N 4.114 124.042 119.914 0.024 0.000 3.040 444 V HA 0.825 4.955 4.120 0.017 0.000 0.312 444 V C -2.763 173.247 176.094 -0.139 0.000 1.115 444 V CA -2.367 59.922 62.300 -0.017 0.000 0.998 444 V CB 2.484 34.264 31.823 -0.072 0.000 1.042 444 V HN 0.657 nan 8.190 nan 0.000 0.433 445 P HA 0.520 nan 4.420 nan 0.000 0.280 445 P C -3.004 174.089 177.300 -0.345 0.000 1.272 445 P CA -2.281 60.381 63.100 -0.731 0.000 0.819 445 P CB 0.556 31.399 31.700 -1.429 0.000 1.122 446 P HA 0.132 nan 4.420 nan 0.000 0.268 446 P C 1.002 178.162 177.300 -0.233 0.000 1.205 446 P CA 1.310 64.295 63.100 -0.192 0.000 0.771 446 P CB -0.164 31.460 31.700 -0.127 0.000 0.858 447 G N 1.602 110.237 108.800 -0.275 0.000 2.258 447 G HA2 -0.203 3.767 3.960 0.017 0.000 0.233 447 G HA3 -0.203 3.767 3.960 0.017 0.000 0.233 447 G C 0.441 175.234 174.900 -0.178 0.000 1.006 447 G CA -0.010 44.956 45.100 -0.223 0.000 0.620 447 G HN 0.845 nan 8.290 nan 0.000 0.511 448 A N 0.608 123.324 122.820 -0.174 0.000 2.477 448 A HA 0.668 4.998 4.320 0.017 0.000 0.246 448 A C 0.970 178.517 177.584 -0.061 0.000 1.078 448 A CA 1.235 53.208 52.037 -0.106 0.000 0.770 448 A CB 0.510 19.447 19.000 -0.105 0.000 1.011 448 A HN 1.766 nan 8.150 nan 0.000 0.494 449 S N 1.249 116.941 115.700 -0.014 0.000 2.552 449 S HA 0.169 4.649 4.470 0.017 0.000 0.289 449 S C 0.644 175.313 174.600 0.115 0.000 1.304 449 S CA -0.193 58.023 58.200 0.025 0.000 1.063 449 S CB -0.224 62.990 63.200 0.023 0.000 0.848 449 S HN 0.556 nan 8.310 nan 0.000 0.499 450 L N 3.983 125.291 121.223 0.142 0.000 2.769 450 L HA 0.291 4.641 4.340 0.017 0.000 0.240 450 L C 1.325 178.352 176.870 0.262 0.000 1.163 450 L CA -0.382 54.639 54.840 0.302 0.000 0.962 450 L CB -0.109 42.084 42.059 0.223 0.000 1.258 450 L HN 0.572 nan 8.230 nan 0.000 0.513 451 R N 1.429 121.991 120.500 0.104 0.000 2.585 451 R HA 0.113 4.463 4.340 0.017 0.000 0.275 451 R C 0.989 177.219 176.300 -0.116 0.000 1.018 451 R CA 1.359 57.467 56.100 0.013 0.000 1.072 451 R CB 0.454 30.750 30.300 -0.006 0.000 0.953 451 R HN 0.387 nan 8.270 nan 0.000 0.419 452 G N 3.309 112.040 108.800 -0.115 0.000 2.241 452 G HA2 -0.301 3.669 3.960 0.017 0.000 0.244 452 G HA3 -0.301 3.669 3.960 0.017 0.000 0.244 452 G C -0.419 174.318 174.900 -0.271 0.000 0.998 452 G CA 0.231 45.198 45.100 -0.222 0.000 0.621 452 G HN 0.597 nan 8.290 nan 0.000 0.519 453 Y N 0.853 121.140 120.300 -0.020 0.000 2.309 453 Y HA 0.559 5.119 4.550 0.017 0.000 0.327 453 Y C 1.737 177.623 175.900 -0.024 0.000 1.172 453 Y CA 0.248 58.319 58.100 -0.048 0.000 1.280 453 Y CB 1.250 39.667 38.460 -0.072 0.000 1.234 453 Y HN 0.219 nan 8.280 nan 0.000 0.512 454 A N 4.097 126.993 122.820 0.127 0.000 1.902 454 A HA 0.014 4.344 4.320 0.017 0.000 0.217 454 A C 0.148 177.894 177.584 0.271 0.000 1.181 454 A CA 1.797 53.929 52.037 0.157 0.000 0.623 454 A CB -0.601 18.503 19.000 0.173 0.000 0.818 454 A HN 0.751 nan 8.150 nan 0.000 0.443 455 F N -5.256 114.725 119.950 0.052 0.000 2.773 455 F HA 0.735 5.272 4.527 0.017 0.000 0.314 455 F C -0.734 175.035 175.800 -0.051 0.000 1.160 455 F CA -1.155 56.835 58.000 -0.015 0.000 0.920 455 F CB 0.806 39.769 39.000 -0.061 0.000 1.323 455 F HN 0.229 nan 8.300 nan 0.000 0.457 456 A N 1.011 123.866 122.820 0.057 0.000 2.435 456 A HA 0.842 5.172 4.320 0.017 0.000 0.304 456 A C -1.970 175.548 177.584 -0.110 0.000 1.064 456 A CA -0.937 51.015 52.037 -0.142 0.000 0.727 456 A CB 1.835 20.769 19.000 -0.110 0.000 1.284 456 A HN 0.993 nan 8.150 nan 0.000 0.415 457 V N 1.550 121.341 119.914 -0.205 0.000 2.487 457 V HA 0.479 4.609 4.120 0.017 0.000 0.298 457 V C -0.630 175.277 176.094 -0.312 0.000 1.028 457 V CA -0.466 61.649 62.300 -0.309 0.000 0.860 457 V CB 1.720 33.334 31.823 -0.349 0.000 0.991 457 V HN 0.654 nan 8.190 nan 0.000 0.427 458 V N 7.331 127.027 119.914 -0.363 0.000 2.250 458 V HA 0.235 4.366 4.120 0.017 0.000 0.268 458 V C -1.593 174.380 176.094 -0.201 0.000 1.043 458 V CA -1.359 60.838 62.300 -0.172 0.000 0.814 458 V CB 1.121 32.911 31.823 -0.056 0.000 1.072 458 V HN 0.686 nan 8.190 nan 0.000 0.451 459 P HA -0.168 nan 4.420 nan 0.000 0.219 459 P C 0.526 177.860 177.300 0.056 0.000 1.158 459 P CA 1.563 64.579 63.100 -0.140 0.000 0.895 459 P CB 0.282 31.951 31.700 -0.052 0.000 0.792 460 S N -2.542 113.274 115.700 0.193 0.000 2.583 460 S HA 0.443 4.923 4.470 0.017 0.000 0.294 460 S C -2.231 172.558 174.600 0.316 0.000 1.121 460 S CA -0.650 57.740 58.200 0.317 0.000 0.910 460 S CB 0.108 63.590 63.200 0.470 0.000 1.102 460 S HN -0.081 nan 8.310 nan 0.000 0.451 461 L N 8.127 129.491 121.223 0.235 0.000 2.462 461 L HA 0.599 4.949 4.340 0.017 0.000 0.255 461 L C -1.816 175.094 176.870 0.067 0.000 1.076 461 L CA -1.803 53.114 54.840 0.128 0.000 0.920 461 L CB 1.540 43.711 42.059 0.188 0.000 1.214 461 L HN 0.433 nan 8.230 nan 0.000 0.472 462 P HA -0.143 nan 4.420 nan 0.000 0.215 462 P C 0.415 177.648 177.300 -0.112 0.000 1.157 462 P CA 1.354 64.403 63.100 -0.085 0.000 0.868 462 P CB 0.469 31.976 31.700 -0.322 0.000 0.788 463 I N 0.376 120.863 120.570 -0.139 0.000 2.321 463 I HA 0.166 4.346 4.170 0.017 0.000 0.291 463 I C -0.232 175.857 176.117 -0.046 0.000 0.998 463 I CA -0.848 60.392 61.300 -0.101 0.000 1.227 463 I CB 2.054 39.984 38.000 -0.116 0.000 1.368 463 I HN -0.335 nan 8.210 nan 0.000 0.466 464 V N 7.443 127.342 119.914 -0.025 0.000 2.293 464 V HA 0.376 4.507 4.120 0.017 0.000 0.275 464 V C 0.413 176.503 176.094 -0.006 0.000 1.021 464 V CA -0.668 61.642 62.300 0.017 0.000 0.815 464 V CB 0.765 32.604 31.823 0.025 0.000 1.025 464 V HN 0.693 nan 8.190 nan 0.000 0.448 465 R N 1.990 122.479 120.500 -0.019 0.000 2.583 465 R HA 0.256 4.606 4.340 0.017 0.000 0.268 465 R C 1.268 177.545 176.300 -0.039 0.000 1.101 465 R CA -0.633 55.448 56.100 -0.031 0.000 1.180 465 R CB 1.030 31.306 30.300 -0.040 0.000 1.128 465 R HN 0.641 nan 8.270 nan 0.000 0.568 466 E N 1.593 121.771 120.200 -0.037 0.000 2.097 466 E HA -0.245 4.115 4.350 0.017 0.000 0.196 466 E C 1.100 177.663 176.600 -0.062 0.000 1.000 466 E CA 1.888 58.264 56.400 -0.039 0.000 0.804 466 E CB 0.069 29.750 29.700 -0.031 0.000 0.740 466 E HN 0.520 nan 8.360 nan 0.000 0.454 467 E N 0.072 120.226 120.200 -0.076 0.000 2.085 467 E HA -0.108 4.252 4.350 0.017 0.000 0.194 467 E C 1.920 178.413 176.600 -0.178 0.000 0.994 467 E CA 1.456 57.793 56.400 -0.104 0.000 0.801 467 E CB -0.605 29.037 29.700 -0.096 0.000 0.743 467 E HN 0.408 nan 8.360 nan 0.000 0.453 468 A N 0.496 123.190 122.820 -0.210 0.000 1.873 468 A HA -0.100 4.230 4.320 0.017 0.000 0.215 468 A C 2.145 179.405 177.584 -0.541 0.000 1.186 468 A CA 1.120 52.904 52.037 -0.422 0.000 0.616 468 A CB -0.670 18.178 19.000 -0.253 0.000 0.823 468 A HN 0.263 nan 8.150 nan 0.000 0.442 469 L N 0.132 121.266 121.223 -0.148 0.000 2.042 469 L HA -0.174 4.176 4.340 0.017 0.000 0.210 469 L C 2.290 179.158 176.870 -0.005 0.000 1.076 469 L CA 2.747 57.613 54.840 0.044 0.000 0.749 469 L CB -0.622 41.458 42.059 0.035 0.000 0.893 469 L HN 0.552 nan 8.230 nan 0.000 0.432 470 E N -0.273 119.886 120.200 -0.068 0.000 2.058 470 E HA -0.210 4.150 4.350 0.017 0.000 0.194 470 E C 2.111 178.686 176.600 -0.043 0.000 0.997 470 E CA 1.645 58.022 56.400 -0.038 0.000 0.801 470 E CB -0.395 29.274 29.700 -0.051 0.000 0.746 470 E HN 0.521 nan 8.360 nan 0.000 0.450 471 A N -0.341 122.381 122.820 -0.164 0.000 1.933 471 A HA -0.123 4.207 4.320 0.017 0.000 0.218 471 A C 1.981 179.554 177.584 -0.018 0.000 1.175 471 A CA 1.484 53.426 52.037 -0.159 0.000 0.628 471 A CB -0.854 17.956 19.000 -0.316 0.000 0.814 471 A HN 0.359 nan 8.150 nan 0.000 0.444 472 F N -0.200 119.828 119.950 0.131 0.000 2.146 472 F HA -0.019 4.518 4.527 0.017 0.000 0.298 472 F C 2.485 178.456 175.800 0.284 0.000 1.096 472 F CA 1.040 59.178 58.000 0.230 0.000 1.275 472 F CB -0.715 38.449 39.000 0.273 0.000 1.008 472 F HN 0.116 nan 8.300 nan 0.000 0.480 473 R N 0.190 120.895 120.500 0.341 0.000 2.096 473 R HA -0.124 4.227 4.340 0.017 0.000 0.235 473 R C 1.627 178.075 176.300 0.245 0.000 1.127 473 R CA 1.232 57.502 56.100 0.284 0.000 0.968 473 R CB -0.298 30.091 30.300 0.149 0.000 0.861 473 R HN 0.210 nan 8.270 nan 0.000 0.440 474 E N 0.231 120.536 120.200 0.175 0.000 2.489 474 E HA 0.092 4.452 4.350 0.017 0.000 0.193 474 E C 0.099 176.779 176.600 0.133 0.000 1.057 474 E CA 0.020 56.495 56.400 0.124 0.000 0.866 474 E CB 0.236 29.979 29.700 0.073 0.000 0.916 474 E HN 0.212 nan 8.360 nan 0.000 0.500 475 A N 1.386 124.322 122.820 0.193 0.000 2.540 475 A HA -0.028 4.302 4.320 0.017 0.000 0.239 475 A C 0.955 178.604 177.584 0.108 0.000 1.061 475 A CA 0.133 52.273 52.037 0.172 0.000 0.758 475 A CB 0.228 19.370 19.000 0.235 0.000 0.991 475 A HN 0.080 nan 8.150 nan 0.000 0.502 476 E N 1.804 122.055 120.200 0.084 0.000 2.385 476 E HA 0.127 4.487 4.350 0.017 0.000 0.194 476 E C 1.007 177.629 176.600 0.037 0.000 1.013 476 E CA 0.537 56.967 56.400 0.050 0.000 0.866 476 E CB 0.286 30.009 29.700 0.039 0.000 0.832 476 E HN 0.760 nan 8.360 nan 0.000 0.500 477 G N 1.524 110.358 108.800 0.057 0.000 2.685 477 G HA2 0.432 4.402 3.960 0.017 0.000 0.298 477 G HA3 0.432 4.402 3.960 0.017 0.000 0.298 477 G C -2.857 172.043 174.900 0.001 0.000 1.277 477 G CA -1.578 43.553 45.100 0.051 0.000 0.986 477 G HN -0.217 nan 8.290 nan 0.000 0.487 478 P HA 0.296 nan 4.420 nan 0.000 0.268 478 P C -0.648 176.609 177.300 -0.071 0.000 1.208 478 P CA -0.216 62.813 63.100 -0.118 0.000 0.777 478 P CB 1.080 32.705 31.700 -0.125 0.000 0.875 479 V N 3.136 122.943 119.914 -0.179 0.000 2.525 479 V HA 0.287 4.417 4.120 0.017 0.000 0.299 479 V C -0.400 175.411 176.094 -0.473 0.000 1.034 479 V CA -0.662 61.466 62.300 -0.287 0.000 0.863 479 V CB 1.617 33.253 31.823 -0.313 0.000 0.999 479 V HN 0.332 nan 8.190 nan 0.000 0.423 480 L N 5.857 126.805 121.223 -0.459 0.000 2.264 480 L HA 0.684 5.034 4.340 0.017 0.000 0.289 480 L C -1.081 175.453 176.870 -0.560 0.000 1.044 480 L CA 0.283 54.882 54.840 -0.402 0.000 0.807 480 L CB 0.627 42.520 42.059 -0.277 0.000 1.192 480 L HN 0.423 nan 8.230 nan 0.000 0.425 481 F N 3.720 123.593 119.950 -0.129 0.000 2.415 481 F HA 0.676 5.213 4.527 0.017 0.000 0.348 481 F C 1.147 176.811 175.800 -0.227 0.000 1.119 481 F CA -0.286 57.628 58.000 -0.143 0.000 1.069 481 F CB 1.408 40.413 39.000 0.009 0.000 1.124 481 F HN 0.643 nan 8.300 nan 0.000 0.472 482 G N 2.809 111.596 108.800 -0.022 0.000 2.580 482 G HA2 0.468 4.438 3.960 0.017 0.000 0.278 482 G HA3 0.468 4.438 3.960 0.017 0.000 0.278 482 G C -2.680 172.195 174.900 -0.042 0.000 1.212 482 G CA -1.599 43.472 45.100 -0.047 0.000 0.939 482 G HN 0.355 nan 8.290 nan 0.000 0.513 483 P HA 0.029 nan 4.420 nan 0.000 0.267 483 P C 0.053 177.508 177.300 0.258 0.000 1.200 483 P CA 0.247 63.457 63.100 0.184 0.000 0.772 483 P CB 0.663 32.596 31.700 0.388 0.000 0.855 484 R N -1.559 119.129 120.500 0.313 0.000 3.954 484 R HA -0.099 4.251 4.340 0.017 0.000 0.422 484 R C 0.110 176.558 176.300 0.246 0.000 1.091 484 R CA 0.560 56.782 56.100 0.203 0.000 1.168 484 R CB -2.613 27.601 30.300 -0.144 0.000 1.752 484 R HN 0.475 nan 8.270 nan 0.000 0.547 485 S N 0.049 115.930 115.700 0.301 0.000 2.549 485 S HA 0.361 4.841 4.470 0.017 0.000 0.283 485 S C 1.348 176.004 174.600 0.094 0.000 1.320 485 S CA 0.764 59.089 58.200 0.208 0.000 1.058 485 S CB 1.461 64.796 63.200 0.226 0.000 0.882 485 S HN 0.624 nan 8.310 nan 0.000 0.498 486 G N 2.098 110.902 108.800 0.006 0.000 2.179 486 G HA2 -0.312 3.658 3.960 0.017 0.000 0.257 486 G HA3 -0.312 3.658 3.960 0.017 0.000 0.257 486 G C 0.750 175.631 174.900 -0.033 0.000 1.010 486 G CA 0.584 45.651 45.100 -0.055 0.000 0.736 486 G HN 1.000 nan 8.290 nan 0.000 0.513 487 S N -1.825 113.878 115.700 0.005 0.000 2.548 487 S HA 0.410 4.890 4.470 0.017 0.000 0.215 487 S C 0.822 175.412 174.600 -0.017 0.000 0.976 487 S CA 0.615 58.825 58.200 0.016 0.000 0.908 487 S CB 0.677 63.923 63.200 0.076 0.000 0.781 487 S HN 0.367 nan 8.310 nan 0.000 0.519 488 K N 2.067 122.426 120.400 -0.068 0.000 2.435 488 K HA 0.449 4.779 4.320 0.017 0.000 0.251 488 K C -0.232 176.322 176.600 -0.076 0.000 0.954 488 K CA -0.346 55.884 56.287 -0.095 0.000 0.820 488 K CB 1.616 33.954 32.500 -0.271 0.000 1.292 488 K HN 0.334 nan 8.250 nan 0.000 0.436 489 T N -2.451 112.087 114.554 -0.027 0.000 2.862 489 T HA 0.248 4.608 4.350 0.017 0.000 0.276 489 T C 1.103 175.808 174.700 0.008 0.000 0.974 489 T CA -0.494 61.606 62.100 0.000 0.000 0.966 489 T CB 0.879 69.770 68.868 0.039 0.000 1.072 489 T HN 0.489 nan 8.240 nan 0.000 0.538 490 E N 0.303 120.525 120.200 0.037 0.000 2.209 490 E HA -0.116 4.244 4.350 0.017 0.000 0.196 490 E C 1.562 178.254 176.600 0.153 0.000 0.993 490 E CA 1.609 58.050 56.400 0.068 0.000 0.819 490 E CB -0.292 29.452 29.700 0.074 0.000 0.745 490 E HN 0.877 nan 8.360 nan 0.000 0.477 491 T N -2.690 111.980 114.554 0.194 0.000 3.186 491 T HA 0.120 4.481 4.350 0.017 0.000 0.257 491 T C 0.553 175.458 174.700 0.341 0.000 1.029 491 T CA -0.543 61.744 62.100 0.312 0.000 0.916 491 T CB -0.652 68.411 68.868 0.325 0.000 1.041 491 T HN 0.241 nan 8.240 nan 0.000 0.562 492 F N 1.018 121.013 119.950 0.074 0.000 3.040 492 F HA -0.227 4.311 4.527 0.017 0.000 0.298 492 F C -0.034 175.758 175.800 -0.013 0.000 0.948 492 F CA -0.045 57.962 58.000 0.011 0.000 1.022 492 F CB -1.123 37.869 39.000 -0.013 0.000 1.023 492 F HN 0.404 nan 8.300 nan 0.000 0.742 493 Q N 0.599 120.529 119.800 0.217 0.000 2.416 493 Q HA 0.640 4.990 4.340 0.017 0.000 0.279 493 Q C -0.076 175.970 176.000 0.077 0.000 1.101 493 Q CA -1.242 54.634 55.803 0.122 0.000 0.830 493 Q CB 2.377 31.164 28.738 0.081 0.000 1.402 493 Q HN 0.279 nan 8.270 nan 0.000 0.445 494 I N 2.691 123.285 120.570 0.039 0.000 2.496 494 I HA 0.169 4.349 4.170 0.017 0.000 0.285 494 I C -2.075 174.046 176.117 0.006 0.000 1.080 494 I CA -1.851 59.461 61.300 0.019 0.000 1.404 494 I CB 0.547 38.548 38.000 0.001 0.000 1.403 494 I HN 0.238 nan 8.210 nan 0.000 0.539 495 P HA -0.003 nan 4.420 nan 0.000 0.266 495 P C 0.040 177.332 177.300 -0.014 0.000 1.193 495 P CA -0.094 62.999 63.100 -0.011 0.000 0.770 495 P CB 0.553 32.236 31.700 -0.027 0.000 0.836 496 K N 2.150 122.542 120.400 -0.012 0.000 2.103 496 K HA -0.186 4.144 4.320 0.017 0.000 0.207 496 K C 1.580 178.168 176.600 -0.020 0.000 1.048 496 K CA 1.551 57.830 56.287 -0.013 0.000 0.930 496 K CB -0.405 32.090 32.500 -0.009 0.000 0.716 496 K HN 0.590 nan 8.250 nan 0.000 0.444 497 E N 1.600 121.783 120.200 -0.028 0.000 2.502 497 E HA -0.022 4.338 4.350 0.017 0.000 0.194 497 E C -0.027 176.547 176.600 -0.044 0.000 1.062 497 E CA 0.141 56.519 56.400 -0.037 0.000 0.867 497 E CB -0.395 29.278 29.700 -0.046 0.000 0.888 497 E HN 0.224 nan 8.360 nan 0.000 0.510 498 L N -1.534 119.666 121.223 -0.038 0.000 0.584 498 L HA -0.160 4.190 4.340 0.017 0.000 0.356 498 L C -2.570 174.268 176.870 -0.054 0.000 0.953 498 L CA -0.379 54.439 54.840 -0.037 0.000 1.223 498 L CB -1.259 40.778 42.059 -0.036 0.000 0.011 498 L HN 0.032 nan 8.230 nan 0.000 0.091 499 P HA 0.110 nan 4.420 nan 0.000 0.269 499 P C -2.151 175.067 177.300 -0.137 0.000 1.215 499 P CA -0.779 62.285 63.100 -0.060 0.000 0.780 499 P CB 0.170 31.873 31.700 0.006 0.000 0.898 500 P HA 0.030 nan 4.420 nan 0.000 0.249 500 P C 0.896 178.095 177.300 -0.169 0.000 1.593 500 P CA 0.420 63.396 63.100 -0.206 0.000 0.896 500 P CB -0.504 30.975 31.700 -0.369 0.000 1.581 501 G N 2.344 111.070 108.800 -0.124 0.000 2.685 501 G HA2 -0.298 3.672 3.960 0.017 0.000 0.329 501 G HA3 -0.298 3.672 3.960 0.017 0.000 0.329 501 G C -1.437 173.396 174.900 -0.112 0.000 1.271 501 G CA 0.745 45.786 45.100 -0.098 0.000 1.003 501 G HN 0.165 nan 8.290 nan 0.000 0.549 502 P HA -0.006 nan 4.420 nan 0.000 0.218 502 P C 2.049 179.264 177.300 -0.142 0.000 1.146 502 P CA 1.368 64.411 63.100 -0.095 0.000 0.813 502 P CB -0.176 31.484 31.700 -0.066 0.000 0.778 503 L N -1.009 120.082 121.223 -0.219 0.000 2.456 503 L HA -0.128 4.222 4.340 0.017 0.000 0.224 503 L C 2.164 178.876 176.870 -0.263 0.000 1.148 503 L CA 1.003 55.643 54.840 -0.334 0.000 0.825 503 L CB -0.856 40.871 42.059 -0.554 0.000 0.937 503 L HN 0.074 nan 8.230 nan 0.000 0.450 504 Q N -0.086 119.598 119.800 -0.194 0.000 2.488 504 Q HA -0.062 4.288 4.340 0.017 0.000 0.211 504 Q C 2.165 178.099 176.000 -0.111 0.000 0.967 504 Q CA 0.875 56.587 55.803 -0.152 0.000 0.926 504 Q CB 0.032 28.694 28.738 -0.127 0.000 0.992 504 Q HN 0.552 nan 8.270 nan 0.000 0.506 505 A N -0.095 122.657 122.820 -0.113 0.000 2.208 505 A HA 0.035 4.365 4.320 0.017 0.000 0.209 505 A C 1.616 179.150 177.584 -0.084 0.000 1.161 505 A CA 0.567 52.557 52.037 -0.078 0.000 0.782 505 A CB 0.101 19.061 19.000 -0.066 0.000 0.816 505 A HN 0.271 nan 8.150 nan 0.000 0.477 506 L N -1.975 119.161 121.223 -0.144 0.000 2.547 506 L HA 0.351 4.701 4.340 0.017 0.000 0.218 506 L C -0.238 176.615 176.870 -0.029 0.000 1.048 506 L CA 0.205 54.941 54.840 -0.173 0.000 0.859 506 L CB 0.163 41.897 42.059 -0.541 0.000 1.128 506 L HN 0.135 nan 8.230 nan 0.000 0.483 507 L N 2.068 123.254 121.223 -0.063 0.000 2.349 507 L HA 0.388 4.738 4.340 0.017 0.000 0.278 507 L C -2.381 174.452 176.870 -0.061 0.000 0.996 507 L CA -1.423 53.413 54.840 -0.007 0.000 0.825 507 L CB 2.005 44.060 42.059 -0.006 0.000 1.243 507 L HN -0.220 nan 8.230 nan 0.000 0.412 508 P HA 0.232 nan 4.420 nan 0.000 0.238 508 P C -1.343 175.900 177.300 -0.094 0.000 1.794 508 P CA -0.206 62.864 63.100 -0.050 0.000 1.088 508 P CB 0.070 31.763 31.700 -0.011 0.000 1.923 509 L N -0.542 120.585 121.223 -0.160 0.000 2.540 509 L HA 0.722 5.073 4.340 0.017 0.000 0.256 509 L C -1.164 175.565 176.870 -0.235 0.000 1.001 509 L CA -0.949 53.749 54.840 -0.238 0.000 0.843 509 L CB 2.128 43.949 42.059 -0.396 0.000 1.436 509 L HN -0.156 nan 8.230 nan 0.000 0.410 510 K N 1.104 121.383 120.400 -0.201 0.000 2.427 510 K HA 0.720 5.050 4.320 0.017 0.000 0.252 510 K C -1.542 174.992 176.600 -0.111 0.000 0.931 510 K CA -0.952 55.245 56.287 -0.149 0.000 0.793 510 K CB 2.937 35.387 32.500 -0.084 0.000 1.211 510 K HN 0.487 nan 8.250 nan 0.000 0.426 511 V N 3.819 123.680 119.914 -0.088 0.000 2.353 511 V HA 0.019 4.149 4.120 0.017 0.000 0.264 511 V C 1.065 177.169 176.094 0.016 0.000 1.049 511 V CA -0.238 62.065 62.300 0.004 0.000 0.896 511 V CB 0.878 32.730 31.823 0.048 0.000 1.025 511 V HN 0.737 nan 8.190 nan 0.000 0.475 512 V N 2.649 122.595 119.914 0.054 0.000 3.506 512 V HA 0.412 4.542 4.120 0.017 0.000 0.263 512 V C 0.688 176.762 176.094 -0.034 0.000 1.203 512 V CA 0.439 62.760 62.300 0.035 0.000 1.133 512 V CB -0.427 31.450 31.823 0.090 0.000 0.802 512 V HN 0.788 nan 8.190 nan 0.000 0.459 513 R N 0.214 120.661 120.500 -0.088 0.000 2.664 513 R HA 0.605 4.955 4.340 0.017 0.000 0.260 513 R C -1.848 174.218 176.300 -0.390 0.000 1.062 513 R CA -0.070 55.815 56.100 -0.358 0.000 0.902 513 R CB 2.424 32.237 30.300 -0.812 0.000 1.258 513 R HN 0.312 nan 8.270 nan 0.000 0.465 514 V N -0.925 118.720 119.914 -0.448 0.000 2.914 514 V HA 0.750 4.880 4.120 0.017 0.000 0.314 514 V C -0.975 174.708 176.094 -0.686 0.000 1.084 514 V CA -0.676 61.300 62.300 -0.540 0.000 0.963 514 V CB 2.124 33.668 31.823 -0.465 0.000 1.025 514 V HN 0.881 nan 8.190 nan 0.000 0.432 515 E N 1.812 121.529 120.200 -0.804 0.000 2.272 515 E HA 0.622 4.982 4.350 0.017 0.000 0.269 515 E C -1.140 175.078 176.600 -0.636 0.000 0.877 515 E CA -0.685 55.366 56.400 -0.581 0.000 0.755 515 E CB 2.339 31.839 29.700 -0.333 0.000 1.192 515 E HN 0.980 nan 8.360 nan 0.000 0.422 516 S N 2.681 118.174 115.700 -0.344 0.000 2.454 516 S HA 0.672 5.152 4.470 0.017 0.000 0.306 516 S C -0.424 174.151 174.600 -0.043 0.000 1.100 516 S CA -0.841 57.310 58.200 -0.082 0.000 1.087 516 S CB 0.737 64.001 63.200 0.106 0.000 1.019 516 S HN 0.376 nan 8.310 nan 0.000 0.480 517 L N 2.942 124.169 121.223 0.007 0.000 2.342 517 L HA 0.633 4.983 4.340 0.017 0.000 0.271 517 L C -2.243 174.633 176.870 0.010 0.000 1.008 517 L CA -2.582 52.258 54.840 -0.000 0.000 0.818 517 L CB 1.950 44.010 42.059 0.002 0.000 1.296 517 L HN 0.495 nan 8.230 nan 0.000 0.427 518 P HA 0.128 nan 4.420 nan 0.000 0.269 518 P C -2.615 174.687 177.300 0.004 0.000 1.209 518 P CA -1.097 62.006 63.100 0.006 0.000 0.776 518 P CB -0.246 31.458 31.700 0.007 0.000 0.876 519 P HA -0.008 nan 4.420 nan 0.000 0.265 519 P C 0.936 178.242 177.300 0.010 0.000 1.193 519 P CA 1.009 64.106 63.100 -0.005 0.000 0.765 519 P CB 0.064 31.757 31.700 -0.012 0.000 0.823 520 G N 2.423 111.234 108.800 0.019 0.000 2.254 520 G HA2 -0.232 3.738 3.960 0.017 0.000 0.225 520 G HA3 -0.232 3.738 3.960 0.017 0.000 0.225 520 G C -0.072 174.850 174.900 0.035 0.000 1.003 520 G CA -0.131 44.986 45.100 0.028 0.000 0.622 520 G HN 0.584 nan 8.290 nan 0.000 0.507 521 L N 2.238 123.481 121.223 0.033 0.000 2.363 521 L HA 0.657 5.008 4.340 0.017 0.000 0.286 521 L C 0.038 176.942 176.870 0.058 0.000 1.106 521 L CA -0.473 54.389 54.840 0.037 0.000 0.859 521 L CB 0.068 42.141 42.059 0.024 0.000 1.223 521 L HN 0.218 nan 8.230 nan 0.000 0.446 522 L N 4.672 125.939 121.223 0.073 0.000 2.333 522 L HA 0.625 4.975 4.340 0.017 0.000 0.269 522 L C -0.520 176.425 176.870 0.125 0.000 1.010 522 L CA -0.654 54.253 54.840 0.111 0.000 0.818 522 L CB 2.135 44.261 42.059 0.112 0.000 1.306 522 L HN 0.494 nan 8.230 nan 0.000 0.430 523 E N 0.791 121.111 120.200 0.201 0.000 2.308 523 E HA 0.393 4.753 4.350 0.017 0.000 0.275 523 E C -1.626 175.192 176.600 0.363 0.000 0.890 523 E CA -0.682 55.867 56.400 0.247 0.000 0.754 523 E CB 2.786 32.611 29.700 0.209 0.000 1.207 523 E HN 0.279 nan 8.360 nan 0.000 0.426 524 V N 2.458 122.517 119.914 0.242 0.000 2.555 524 V HA 0.407 4.537 4.120 0.017 0.000 0.286 524 V C 0.169 176.309 176.094 0.076 0.000 1.044 524 V CA 0.029 62.419 62.300 0.150 0.000 1.026 524 V CB 0.931 32.792 31.823 0.064 0.000 0.981 524 V HN 0.695 nan 8.190 nan 0.000 0.480 525 A N 5.641 128.393 122.820 -0.114 0.000 2.287 525 A HA 0.760 5.090 4.320 0.017 0.000 0.317 525 A C -0.100 177.419 177.584 -0.109 0.000 1.220 525 A CA -0.653 51.139 52.037 -0.409 0.000 0.835 525 A CB 0.618 19.136 19.000 -0.804 0.000 1.180 525 A HN 0.934 nan 8.150 nan 0.000 0.500 526 E N 2.064 122.204 120.200 -0.101 0.000 2.392 526 E HA 0.845 5.206 4.350 0.017 0.000 0.269 526 E C -0.022 176.553 176.600 -0.041 0.000 0.924 526 E CA -0.773 55.595 56.400 -0.054 0.000 0.784 526 E CB 2.187 31.845 29.700 -0.070 0.000 1.292 526 E HN 1.076 nan 8.360 nan 0.000 0.447 527 G N -0.266 108.521 108.800 -0.022 0.000 2.335 527 G HA2 0.374 4.344 3.960 0.017 0.000 0.291 527 G HA3 0.374 4.344 3.960 0.017 0.000 0.291 527 G C 0.181 175.078 174.900 -0.006 0.000 1.261 527 G CA -0.180 44.909 45.100 -0.018 0.000 0.871 527 G HN 0.606 nan 8.290 nan 0.000 0.491 528 A N -0.631 122.187 122.820 -0.004 0.000 1.948 528 A HA 0.063 4.393 4.320 0.017 0.000 0.220 528 A C 2.437 180.034 177.584 0.023 0.000 1.177 528 A CA 2.083 54.120 52.037 -0.001 0.000 0.636 528 A CB -0.586 18.411 19.000 -0.006 0.000 0.815 528 A HN 0.649 nan 8.150 nan 0.000 0.449 529 L N -1.988 119.278 121.223 0.071 0.000 2.201 529 L HA 0.155 4.505 4.340 0.017 0.000 0.212 529 L C 1.440 178.421 176.870 0.185 0.000 1.105 529 L CA 0.716 55.648 54.840 0.154 0.000 0.775 529 L CB -0.404 41.781 42.059 0.210 0.000 0.913 529 L HN 0.694 nan 8.230 nan 0.000 0.440 530 G N -0.694 108.132 108.800 0.043 0.000 2.320 530 G HA2 0.038 4.008 3.960 0.017 0.000 0.274 530 G HA3 0.038 4.008 3.960 0.017 0.000 0.274 530 G C -1.257 173.319 174.900 -0.541 0.000 1.324 530 G CA -0.954 43.959 45.100 -0.312 0.000 0.957 530 G HN -0.011 nan 8.290 nan 0.000 0.481 531 R N -0.515 119.475 120.500 -0.849 0.000 2.393 531 R HA 0.626 4.976 4.340 0.017 0.000 0.315 531 R C -1.520 174.272 176.300 -0.846 0.000 0.952 531 R CA -0.408 55.337 56.100 -0.591 0.000 0.842 531 R CB 1.230 31.348 30.300 -0.303 0.000 1.163 531 R HN 0.280 nan 8.270 nan 0.000 0.450 532 F N 3.368 123.291 119.950 -0.045 0.000 2.553 532 F HA 0.366 4.904 4.527 0.017 0.000 0.335 532 F C -2.182 173.625 175.800 0.012 0.000 1.148 532 F CA -2.830 55.157 58.000 -0.022 0.000 0.963 532 F CB 1.910 40.885 39.000 -0.042 0.000 1.217 532 F HN 0.249 nan 8.300 nan 0.000 0.441 533 P HA 0.281 nan 4.420 nan 0.000 0.276 533 P C -0.773 176.665 177.300 0.230 0.000 1.253 533 P CA 0.212 63.419 63.100 0.178 0.000 0.766 533 P CB 0.687 32.461 31.700 0.124 0.000 0.845 534 L N 2.682 124.084 121.223 0.299 0.000 2.323 534 L HA 0.897 5.247 4.340 0.017 0.000 0.265 534 L C 0.840 177.899 176.870 0.316 0.000 1.012 534 L CA -0.482 54.558 54.840 0.334 0.000 0.820 534 L CB 2.417 44.725 42.059 0.415 0.000 1.334 534 L HN 0.467 nan 8.230 nan 0.000 0.427 535 G N -0.439 108.530 108.800 0.282 0.000 2.753 535 G HA2 0.469 4.439 3.960 0.017 0.000 0.303 535 G HA3 0.469 4.439 3.960 0.017 0.000 0.303 535 G C -0.052 174.968 174.900 0.200 0.000 1.242 535 G CA 0.001 45.218 45.100 0.194 0.000 0.810 535 G HN 0.693 nan 8.290 nan 0.000 0.515 536 L N -2.691 118.587 121.223 0.091 0.000 3.363 536 L HA -0.138 4.213 4.340 0.017 0.000 0.346 536 L C 0.009 177.032 176.870 0.254 0.000 3.762 536 L CA 2.240 57.102 54.840 0.038 0.000 1.796 536 L CB -0.704 41.176 42.059 -0.298 0.000 3.000 536 L HN 0.731 nan 8.230 nan 0.000 0.779 537 W N 1.685 123.097 121.300 0.186 0.000 3.097 537 W HA 0.612 5.282 4.660 0.017 0.000 0.335 537 W C -0.660 176.029 176.519 0.283 0.000 1.114 537 W CA -0.600 56.910 57.345 0.275 0.000 1.231 537 W CB 1.461 31.237 29.460 0.526 0.000 1.388 537 W HN 0.182 nan 8.180 nan 0.000 0.485 538 R N 3.969 124.353 120.500 -0.193 0.000 2.621 538 R HA 0.395 4.745 4.340 0.017 0.000 0.284 538 R C -1.221 174.997 176.300 -0.136 0.000 0.998 538 R CA -0.324 55.763 56.100 -0.021 0.000 0.895 538 R CB 2.182 32.434 30.300 -0.079 0.000 1.195 538 R HN 0.553 nan 8.270 nan 0.000 0.450 539 E N 3.033 123.339 120.200 0.177 0.000 2.212 539 E HA 0.274 4.634 4.350 0.017 0.000 0.268 539 E C -1.240 175.630 176.600 0.449 0.000 0.902 539 E CA -0.805 55.730 56.400 0.224 0.000 0.779 539 E CB 1.613 31.529 29.700 0.360 0.000 1.172 539 E HN 0.344 nan 8.360 nan 0.000 0.409 540 W N 2.098 123.425 121.300 0.046 0.000 2.332 540 W HA 0.321 4.992 4.660 0.017 0.000 0.306 540 W C -0.565 175.995 176.519 0.069 0.000 1.149 540 W CA -0.798 56.584 57.345 0.061 0.000 1.271 540 W CB 0.630 30.095 29.460 0.009 0.000 1.243 540 W HN 0.157 nan 8.180 nan 0.000 0.459 541 V N 3.437 123.524 119.914 0.287 0.000 2.435 541 V HA 0.234 4.364 4.120 0.017 0.000 0.290 541 V C 0.016 176.139 176.094 0.048 0.000 1.030 541 V CA -1.160 61.197 62.300 0.096 0.000 0.881 541 V CB 1.621 33.402 31.823 -0.070 0.000 0.983 541 V HN 0.418 nan 8.190 nan 0.000 0.445 542 E N 3.714 123.908 120.200 -0.010 0.000 2.081 542 E HA 0.701 5.061 4.350 0.017 0.000 0.276 542 E C -0.612 175.947 176.600 -0.068 0.000 0.950 542 E CA -0.273 56.125 56.400 -0.003 0.000 0.776 542 E CB 1.271 30.980 29.700 0.015 0.000 1.094 542 E HN 0.891 nan 8.360 nan 0.000 0.402 543 A N 4.731 127.528 122.820 -0.039 0.000 2.608 543 A HA 0.439 4.769 4.320 0.017 0.000 0.292 543 A C -2.398 175.207 177.584 0.035 0.000 1.066 543 A CA -0.932 51.075 52.037 -0.050 0.000 0.676 543 A CB 1.339 20.228 19.000 -0.185 0.000 1.277 543 A HN 0.619 nan 8.150 nan 0.000 0.413 544 P HA 0.178 nan 4.420 nan 0.000 0.245 544 P C 0.064 177.419 177.300 0.093 0.000 1.206 544 P CA 0.313 63.447 63.100 0.057 0.000 0.781 544 P CB -0.023 31.699 31.700 0.037 0.000 0.994 545 L N 0.602 121.905 121.223 0.134 0.000 2.426 545 L HA 0.195 4.545 4.340 0.017 0.000 0.271 545 L C 0.856 177.874 176.870 0.247 0.000 1.169 545 L CA -0.683 54.279 54.840 0.202 0.000 0.836 545 L CB 0.128 42.361 42.059 0.290 0.000 1.112 545 L HN -0.212 nan 8.230 nan 0.000 0.465 546 K N 5.870 126.357 120.400 0.146 0.000 2.285 546 K HA 0.265 4.595 4.320 0.017 0.000 0.286 546 K C -2.275 174.311 176.600 -0.023 0.000 1.072 546 K CA -1.591 54.737 56.287 0.068 0.000 0.913 546 K CB 0.619 33.140 32.500 0.034 0.000 1.067 546 K HN 0.166 nan 8.250 nan 0.000 0.479 547 P HA -0.018 nan 4.420 nan 0.000 0.269 547 P C 0.227 177.367 177.300 -0.268 0.000 1.209 547 P CA -0.026 62.750 63.100 -0.541 0.000 0.776 547 P CB 0.851 32.124 31.700 -0.712 0.000 0.876 548 L N 0.877 121.952 121.223 -0.246 0.000 2.240 548 L HA 0.114 4.464 4.340 0.017 0.000 0.211 548 L C 0.996 177.796 176.870 -0.117 0.000 1.106 548 L CA 0.864 55.627 54.840 -0.127 0.000 0.793 548 L CB -0.235 41.772 42.059 -0.087 0.000 0.927 548 L HN 0.307 nan 8.230 nan 0.000 0.446 549 L N -0.565 120.556 121.223 -0.171 0.000 2.410 549 L HA 0.435 4.785 4.340 0.017 0.000 0.270 549 L C -0.898 175.846 176.870 -0.210 0.000 0.983 549 L CA -0.275 54.475 54.840 -0.150 0.000 0.822 549 L CB 2.245 44.222 42.059 -0.137 0.000 1.285 549 L HN -0.167 nan 8.230 nan 0.000 0.409 550 T N 1.645 116.096 114.554 -0.173 0.000 2.841 550 T HA 0.555 4.915 4.350 0.017 0.000 0.283 550 T C -0.299 174.326 174.700 -0.127 0.000 1.000 550 T CA -0.422 61.603 62.100 -0.125 0.000 0.977 550 T CB 1.410 70.246 68.868 -0.054 0.000 0.979 550 T HN 0.076 nan 8.240 nan 0.000 0.446 551 F N 1.401 121.361 119.950 0.016 0.000 2.390 551 F HA 0.182 4.719 4.527 0.017 0.000 0.307 551 F C 2.143 177.944 175.800 0.002 0.000 1.227 551 F CA -0.430 57.585 58.000 0.024 0.000 1.179 551 F CB 0.675 39.692 39.000 0.028 0.000 1.280 551 F HN 0.445 nan 8.300 nan 0.000 0.548 552 Q N 0.646 120.600 119.800 0.257 0.000 2.364 552 Q HA -0.145 4.205 4.340 0.017 0.000 0.209 552 Q C 1.045 177.088 176.000 0.072 0.000 0.977 552 Q CA 1.261 57.137 55.803 0.121 0.000 0.885 552 Q CB -0.698 28.101 28.738 0.102 0.000 0.941 552 Q HN 0.661 nan 8.270 nan 0.000 0.464 553 D N -1.838 118.604 120.400 0.069 0.000 2.328 553 D HA 0.193 4.843 4.640 0.017 0.000 0.221 553 D C 1.066 177.358 176.300 -0.014 0.000 1.072 553 D CA 0.623 54.619 54.000 -0.007 0.000 0.850 553 D CB 0.122 40.874 40.800 -0.080 0.000 0.922 553 D HN 0.188 nan 8.370 nan 0.000 0.516 554 G N 0.036 108.858 108.800 0.036 0.000 2.195 554 G HA2 -0.308 3.663 3.960 0.017 0.000 0.246 554 G HA3 -0.308 3.663 3.960 0.017 0.000 0.246 554 G C 0.178 175.104 174.900 0.044 0.000 0.984 554 G CA -0.020 45.095 45.100 0.025 0.000 0.633 554 G HN 0.422 nan 8.290 nan 0.000 0.525 555 K N 0.995 121.435 120.400 0.066 0.000 2.270 555 K HA 0.484 4.814 4.320 0.017 0.000 0.276 555 K C 1.020 177.766 176.600 0.244 0.000 1.023 555 K CA 0.110 56.464 56.287 0.110 0.000 0.955 555 K CB 1.034 33.532 32.500 -0.004 0.000 0.975 555 K HN 0.277 nan 8.250 nan 0.000 0.471 556 G N 0.543 109.499 108.800 0.260 0.000 2.432 556 G HA2 0.329 4.300 3.960 0.017 0.000 0.257 556 G HA3 0.329 4.300 3.960 0.017 0.000 0.257 556 G C 0.395 175.459 174.900 0.273 0.000 1.238 556 G CA -0.345 44.816 45.100 0.102 0.000 0.838 556 G HN 0.682 nan 8.290 nan 0.000 0.547 557 A N 1.349 124.182 122.820 0.021 0.000 2.192 557 A HA 0.544 4.874 4.320 0.017 0.000 0.208 557 A C 0.257 177.903 177.584 0.102 0.000 1.220 557 A CA 0.415 52.520 52.037 0.113 0.000 0.900 557 A CB 0.235 19.049 19.000 -0.309 0.000 0.937 557 A HN 0.838 nan 8.150 nan 0.000 0.487 558 L N -0.629 120.547 121.223 -0.079 0.000 2.493 558 L HA 0.704 5.055 4.340 0.017 0.000 0.265 558 L C -2.002 174.770 176.870 -0.163 0.000 0.954 558 L CA -0.713 54.121 54.840 -0.011 0.000 0.844 558 L CB 1.529 43.546 42.059 -0.069 0.000 1.302 558 L HN 0.201 nan 8.230 nan 0.000 0.405 559 Y N 3.463 123.853 120.300 0.150 0.000 2.570 559 Y HA 0.822 5.382 4.550 0.017 0.000 0.345 559 Y C -0.266 175.716 175.900 0.137 0.000 1.014 559 Y CA -0.733 57.454 58.100 0.146 0.000 1.063 559 Y CB 2.162 40.733 38.460 0.185 0.000 1.272 559 Y HN 0.613 nan 8.280 nan 0.000 0.477 560 R N 1.528 122.189 120.500 0.268 0.000 2.604 560 R HA 0.563 4.913 4.340 0.017 0.000 0.270 560 R C -2.119 174.283 176.300 0.169 0.000 1.052 560 R CA -0.620 55.592 56.100 0.188 0.000 0.902 560 R CB 1.866 32.221 30.300 0.091 0.000 1.233 560 R HN 0.675 nan 8.270 nan 0.000 0.455 561 E N 2.886 123.189 120.200 0.172 0.000 2.361 561 E HA 0.444 4.804 4.350 0.017 0.000 0.270 561 E C 0.006 176.692 176.600 0.144 0.000 0.911 561 E CA 0.477 56.967 56.400 0.150 0.000 0.818 561 E CB 1.317 31.114 29.700 0.162 0.000 1.332 561 E HN 0.900 nan 8.360 nan 0.000 0.402 562 G N 5.360 114.204 108.800 0.073 0.000 2.531 562 G HA2 -0.400 3.570 3.960 0.017 0.000 0.274 562 G HA3 -0.400 3.570 3.960 0.017 0.000 0.274 562 G C 0.646 175.493 174.900 -0.087 0.000 1.159 562 G CA 0.496 45.605 45.100 0.016 0.000 0.969 562 G HN 0.735 nan 8.290 nan 0.000 0.554 563 R N -0.030 120.297 120.500 -0.289 0.000 2.317 563 R HA 0.390 4.740 4.340 0.017 0.000 0.208 563 R C -0.120 175.837 176.300 -0.571 0.000 0.914 563 R CA 0.173 56.006 56.100 -0.445 0.000 1.060 563 R CB 0.033 30.016 30.300 -0.528 0.000 1.015 563 R HN 0.443 nan 8.270 nan 0.000 0.498 564 Y N 0.926 121.266 120.300 0.067 0.000 2.341 564 Y HA 0.459 5.019 4.550 0.017 0.000 0.337 564 Y C -0.391 175.582 175.900 0.122 0.000 1.014 564 Y CA -1.300 56.860 58.100 0.100 0.000 1.111 564 Y CB 1.448 40.044 38.460 0.226 0.000 1.194 564 Y HN -0.136 nan 8.280 nan 0.000 0.462 565 L N 3.555 124.910 121.223 0.220 0.000 2.333 565 L HA 0.507 4.857 4.340 0.017 0.000 0.269 565 L C -1.235 175.837 176.870 0.336 0.000 1.010 565 L CA -1.023 53.940 54.840 0.205 0.000 0.818 565 L CB 1.604 43.689 42.059 0.043 0.000 1.306 565 L HN 0.557 nan 8.230 nan 0.000 0.430 566 Y N 2.340 122.781 120.300 0.236 0.000 2.346 566 Y HA 0.635 5.195 4.550 0.017 0.000 0.332 566 Y C -1.368 174.684 175.900 0.254 0.000 0.985 566 Y CA -1.026 57.231 58.100 0.261 0.000 1.112 566 Y CB 1.714 40.314 38.460 0.233 0.000 1.170 566 Y HN 0.501 nan 8.280 nan 0.000 0.447 567 L N 6.468 127.450 121.223 -0.402 0.000 2.257 567 L HA 0.674 5.024 4.340 0.017 0.000 0.290 567 L C 0.133 176.848 176.870 -0.259 0.000 1.044 567 L CA 0.088 54.820 54.840 -0.180 0.000 0.810 567 L CB 1.080 43.094 42.059 -0.075 0.000 1.193 567 L HN 0.798 nan 8.230 nan 0.000 0.425 568 A N 4.594 127.510 122.820 0.160 0.000 2.532 568 A HA 0.799 5.129 4.320 0.017 0.000 0.273 568 A C 0.423 178.293 177.584 0.477 0.000 1.342 568 A CA 0.461 52.748 52.037 0.416 0.000 0.929 568 A CB -0.598 18.781 19.000 0.632 0.000 1.051 568 A HN 0.933 nan 8.150 nan 0.000 0.521 569 A N -1.357 121.713 122.820 0.417 0.000 2.610 569 A HA 0.516 4.846 4.320 0.017 0.000 0.291 569 A C -1.039 176.819 177.584 0.456 0.000 1.086 569 A CA -0.486 51.868 52.037 0.529 0.000 0.677 569 A CB 0.306 19.640 19.000 0.557 0.000 1.278 569 A HN 0.580 nan 8.150 nan 0.000 0.414 570 W N 3.577 125.089 121.300 0.353 0.000 2.308 570 W HA 0.349 5.019 4.660 0.017 0.000 0.324 570 W C -2.522 174.025 176.519 0.045 0.000 1.387 570 W CA -0.977 56.465 57.345 0.162 0.000 1.250 570 W CB 0.819 30.383 29.460 0.172 0.000 1.257 570 W HN 0.534 nan 8.180 nan 0.000 0.554 571 P HA 0.066 nan 4.420 nan 0.000 0.278 571 P C -0.470 176.664 177.300 -0.277 0.000 1.238 571 P CA -0.079 62.799 63.100 -0.371 0.000 0.794 571 P CB 1.535 32.863 31.700 -0.621 0.000 0.955 572 S N 1.995 117.623 115.700 -0.120 0.000 2.646 572 S HA 0.383 4.863 4.470 0.017 0.000 0.276 572 S C -1.865 172.661 174.600 -0.123 0.000 1.222 572 S CA -1.356 56.833 58.200 -0.018 0.000 1.014 572 S CB 0.558 63.809 63.200 0.085 0.000 0.991 572 S HN 0.214 nan 8.310 nan 0.000 0.533 573 P HA -0.071 nan 4.420 nan 0.000 0.216 573 P C 0.958 178.227 177.300 -0.053 0.000 1.150 573 P CA 1.154 64.202 63.100 -0.087 0.000 0.837 573 P CB 0.032 31.723 31.700 -0.015 0.000 0.786 574 E N -0.689 119.526 120.200 0.025 0.000 2.051 574 E HA -0.164 4.196 4.350 0.017 0.000 0.192 574 E C 1.838 178.463 176.600 0.042 0.000 0.991 574 E CA 0.838 57.303 56.400 0.108 0.000 0.799 574 E CB -1.375 28.463 29.700 0.230 0.000 0.748 574 E HN 0.119 nan 8.360 nan 0.000 0.449 575 L N 0.584 121.702 121.223 -0.175 0.000 2.017 575 L HA -0.059 4.291 4.340 0.017 0.000 0.208 575 L C 2.056 178.688 176.870 -0.396 0.000 1.073 575 L CA 2.145 56.557 54.840 -0.713 0.000 0.745 575 L CB -1.021 40.556 42.059 -0.804 0.000 0.894 575 L HN 0.110 nan 8.230 nan 0.000 0.432 576 A N -0.428 122.221 122.820 -0.285 0.000 1.908 576 A HA -0.126 4.204 4.320 0.017 0.000 0.218 576 A C 2.343 179.879 177.584 -0.081 0.000 1.181 576 A CA 1.799 53.719 52.037 -0.195 0.000 0.627 576 A CB -1.636 17.157 19.000 -0.345 0.000 0.818 576 A HN 0.551 nan 8.150 nan 0.000 0.445 577 G N -0.936 107.822 108.800 -0.071 0.000 2.402 577 G HA2 -0.191 3.779 3.960 0.017 0.000 0.216 577 G HA3 -0.191 3.779 3.960 0.017 0.000 0.216 577 G C 1.780 176.676 174.900 -0.007 0.000 1.162 577 G CA 0.789 45.880 45.100 -0.016 0.000 0.777 577 G HN 0.543 nan 8.290 nan 0.000 0.539 578 R N -0.676 119.820 120.500 -0.008 0.000 2.092 578 R HA 0.043 4.393 4.340 0.017 0.000 0.231 578 R C 2.444 178.719 176.300 -0.041 0.000 1.119 578 R CA 0.942 57.056 56.100 0.023 0.000 0.970 578 R CB -0.474 29.920 30.300 0.157 0.000 0.864 578 R HN 0.369 nan 8.270 nan 0.000 0.440 579 L N 0.832 121.989 121.223 -0.111 0.000 2.027 579 L HA -0.110 4.240 4.340 0.017 0.000 0.206 579 L C 1.837 178.625 176.870 -0.138 0.000 1.074 579 L CA 1.643 56.406 54.840 -0.129 0.000 0.745 579 L CB -0.430 41.541 42.059 -0.147 0.000 0.898 579 L HN 0.026 nan 8.230 nan 0.000 0.433 580 L N -0.765 120.411 121.223 -0.079 0.000 2.141 580 L HA -0.106 4.244 4.340 0.017 0.000 0.209 580 L C 2.805 179.623 176.870 -0.087 0.000 1.094 580 L CA 1.869 56.669 54.840 -0.067 0.000 0.763 580 L CB -1.431 40.694 42.059 0.110 0.000 0.908 580 L HN 0.416 nan 8.230 nan 0.000 0.437 581 S N -0.849 114.827 115.700 -0.040 0.000 2.368 581 S HA -0.134 4.346 4.470 0.017 0.000 0.224 581 S C 2.189 176.748 174.600 -0.069 0.000 1.029 581 S CA 1.089 59.277 58.200 -0.020 0.000 0.988 581 S CB -0.106 63.097 63.200 0.005 0.000 0.838 581 S HN 0.424 nan 8.310 nan 0.000 0.462 582 A N 1.291 124.052 122.820 -0.099 0.000 1.933 582 A HA 0.084 4.414 4.320 0.017 0.000 0.218 582 A C 2.183 179.651 177.584 -0.193 0.000 1.175 582 A CA 1.280 53.250 52.037 -0.112 0.000 0.628 582 A CB -0.728 18.215 19.000 -0.095 0.000 0.814 582 A HN 0.571 nan 8.150 nan 0.000 0.444 583 L N -0.884 120.129 121.223 -0.350 0.000 2.093 583 L HA -0.166 4.184 4.340 0.017 0.000 0.208 583 L C 3.088 179.657 176.870 -0.501 0.000 1.085 583 L CA 0.932 55.415 54.840 -0.594 0.000 0.755 583 L CB -0.496 40.855 42.059 -1.179 0.000 0.904 583 L HN 0.442 nan 8.230 nan 0.000 0.435 584 A N 0.090 122.721 122.820 -0.315 0.000 1.877 584 A HA -0.176 4.154 4.320 0.017 0.000 0.216 584 A C 2.543 180.136 177.584 0.015 0.000 1.186 584 A CA 1.732 53.794 52.037 0.041 0.000 0.620 584 A CB -0.759 18.331 19.000 0.149 0.000 0.822 584 A HN 0.386 nan 8.150 nan 0.000 0.443 585 A N -0.326 122.478 122.820 -0.027 0.000 1.908 585 A HA -0.221 4.109 4.320 0.017 0.000 0.218 585 A C 2.043 179.614 177.584 -0.022 0.000 1.181 585 A CA 1.930 53.959 52.037 -0.014 0.000 0.627 585 A CB -0.625 18.362 19.000 -0.021 0.000 0.818 585 A HN 0.690 nan 8.150 nan 0.000 0.445 586 E N -0.186 119.981 120.200 -0.056 0.000 2.118 586 E HA -0.119 4.241 4.350 0.017 0.000 0.195 586 E C 1.759 178.345 176.600 -0.023 0.000 0.992 586 E CA 1.004 57.373 56.400 -0.052 0.000 0.804 586 E CB -0.223 29.422 29.700 -0.090 0.000 0.741 586 E HN 0.540 nan 8.360 nan 0.000 0.458 587 A N -0.153 122.665 122.820 -0.003 0.000 2.238 587 A HA 0.251 4.582 4.320 0.017 0.000 0.208 587 A C 1.613 179.228 177.584 0.052 0.000 1.177 587 A CA 0.846 52.913 52.037 0.049 0.000 0.804 587 A CB -0.376 18.709 19.000 0.142 0.000 0.823 587 A HN 0.472 nan 8.150 nan 0.000 0.482 588 G N -1.162 107.660 108.800 0.036 0.000 2.143 588 G HA2 -0.211 3.759 3.960 0.017 0.000 0.248 588 G HA3 -0.211 3.759 3.960 0.017 0.000 0.248 588 G C 0.014 174.942 174.900 0.047 0.000 0.991 588 G CA 0.335 45.456 45.100 0.034 0.000 0.689 588 G HN 0.440 nan 8.290 nan 0.000 0.522 589 L N 1.216 122.480 121.223 0.069 0.000 2.292 589 L HA 0.439 4.789 4.340 0.017 0.000 0.284 589 L C 0.941 177.852 176.870 0.067 0.000 1.065 589 L CA -1.127 53.761 54.840 0.081 0.000 0.806 589 L CB 1.126 43.265 42.059 0.133 0.000 1.175 589 L HN 0.213 nan 8.230 nan 0.000 0.431 590 K N 3.850 124.285 120.400 0.058 0.000 2.218 590 K HA 0.535 4.865 4.320 0.017 0.000 0.276 590 K C -0.586 176.051 176.600 0.061 0.000 1.022 590 K CA -0.433 55.886 56.287 0.052 0.000 0.946 590 K CB 1.661 34.190 32.500 0.048 0.000 1.000 590 K HN 0.383 nan 8.250 nan 0.000 0.468 591 V N -0.662 119.285 119.914 0.056 0.000 3.102 591 V HA 0.715 4.845 4.120 0.017 0.000 0.312 591 V C -0.751 175.375 176.094 0.054 0.000 1.135 591 V CA -1.278 61.057 62.300 0.059 0.000 1.022 591 V CB 1.781 33.639 31.823 0.059 0.000 1.056 591 V HN 0.712 nan 8.190 nan 0.000 0.436 592 L N 0.943 122.200 121.223 0.056 0.000 2.401 592 L HA 0.570 4.921 4.340 0.017 0.000 0.266 592 L C -0.033 176.868 176.870 0.053 0.000 0.991 592 L CA -0.588 54.286 54.840 0.056 0.000 0.818 592 L CB 2.591 44.692 42.059 0.070 0.000 1.321 592 L HN 0.722 nan 8.230 nan 0.000 0.413 593 S N 3.513 119.242 115.700 0.048 0.000 3.363 593 S HA 0.402 4.882 4.470 0.017 0.000 0.267 593 S C 0.061 174.694 174.600 0.054 0.000 1.288 593 S CA -0.534 57.694 58.200 0.047 0.000 0.948 593 S CB -0.529 62.695 63.200 0.040 0.000 1.397 593 S HN 0.293 nan 8.310 nan 0.000 0.493 594 L N 4.552 125.812 121.223 0.062 0.000 2.456 594 L HA 0.253 4.603 4.340 0.017 0.000 0.272 594 L C -1.589 175.326 176.870 0.075 0.000 1.189 594 L CA -1.641 53.244 54.840 0.075 0.000 0.846 594 L CB -0.068 42.044 42.059 0.088 0.000 1.111 594 L HN 0.242 nan 8.230 nan 0.000 0.475 595 P HA 0.072 nan 4.420 nan 0.000 0.272 595 P C 0.055 177.418 177.300 0.106 0.000 1.240 595 P CA -0.364 62.787 63.100 0.085 0.000 0.791 595 P CB 0.906 32.655 31.700 0.080 0.000 0.978 596 E N 1.386 121.655 120.200 0.116 0.000 2.108 596 E HA -0.188 4.173 4.350 0.017 0.000 0.203 596 E C 2.009 178.719 176.600 0.183 0.000 1.022 596 E CA 2.503 58.993 56.400 0.150 0.000 0.823 596 E CB -1.073 28.734 29.700 0.178 0.000 0.744 596 E HN 0.756 nan 8.360 nan 0.000 0.456 597 G N -0.834 108.101 108.800 0.225 0.000 3.042 597 G HA2 0.170 4.141 3.960 0.017 0.000 0.212 597 G HA3 0.170 4.141 3.960 0.017 0.000 0.212 597 G C -0.072 175.001 174.900 0.289 0.000 1.166 597 G CA -0.380 44.897 45.100 0.295 0.000 0.767 597 G HN 0.065 nan 8.290 nan 0.000 0.546 598 L N 0.994 122.349 121.223 0.219 0.000 2.309 598 L HA 0.754 5.104 4.340 0.017 0.000 0.282 598 L C -0.706 176.306 176.870 0.238 0.000 1.036 598 L CA -0.864 54.122 54.840 0.243 0.000 0.806 598 L CB 1.305 43.473 42.059 0.182 0.000 1.220 598 L HN -0.138 nan 8.230 nan 0.000 0.429 599 R N 5.014 125.710 120.500 0.326 0.000 2.725 599 R HA 0.678 5.028 4.340 0.017 0.000 0.277 599 R C -1.569 174.935 176.300 0.341 0.000 0.987 599 R CA -0.709 55.586 56.100 0.325 0.000 0.901 599 R CB 1.856 32.399 30.300 0.404 0.000 1.207 599 R HN 0.660 nan 8.270 nan 0.000 0.463 600 L N 1.345 122.725 121.223 0.262 0.000 2.341 600 L HA 0.686 5.036 4.340 0.017 0.000 0.267 600 L C -0.316 176.668 176.870 0.190 0.000 1.009 600 L CA -1.155 53.797 54.840 0.186 0.000 0.819 600 L CB 2.156 44.290 42.059 0.124 0.000 1.323 600 L HN 0.384 nan 8.230 nan 0.000 0.425 601 R N 1.382 121.964 120.500 0.137 0.000 2.535 601 R HA 0.492 4.843 4.340 0.017 0.000 0.274 601 R C -1.536 174.786 176.300 0.036 0.000 1.090 601 R CA -0.590 55.530 56.100 0.033 0.000 0.930 601 R CB 1.566 31.827 30.300 -0.064 0.000 1.223 601 R HN 0.586 nan 8.270 nan 0.000 0.441 602 R N 2.298 122.791 120.500 -0.011 0.000 2.573 602 R HA 0.624 4.975 4.340 0.017 0.000 0.272 602 R C -0.497 175.824 176.300 0.036 0.000 1.009 602 R CA -1.084 55.036 56.100 0.033 0.000 1.059 602 R CB 1.354 31.650 30.300 -0.006 0.000 1.112 602 R HN 0.510 nan 8.270 nan 0.000 0.517 603 R N 0.652 121.218 120.500 0.110 0.000 2.631 603 R HA 0.288 4.638 4.340 0.017 0.000 0.289 603 R C -0.116 176.144 176.300 -0.067 0.000 1.303 603 R CA 0.683 56.804 56.100 0.036 0.000 0.989 603 R CB 0.873 31.268 30.300 0.159 0.000 1.208 603 R HN 0.872 nan 8.270 nan 0.000 0.461 604 G N 1.580 110.322 108.800 -0.096 0.000 2.556 604 G HA2 -0.426 3.544 3.960 0.017 0.000 0.283 604 G HA3 -0.426 3.544 3.960 0.017 0.000 0.283 604 G C 0.688 175.559 174.900 -0.049 0.000 1.177 604 G CA 0.504 45.528 45.100 -0.127 0.000 0.978 604 G HN 0.886 nan 8.290 nan 0.000 0.554 605 T N -2.579 111.966 114.554 -0.015 0.000 3.129 605 T HA 0.332 4.692 4.350 0.017 0.000 0.251 605 T C 0.476 175.294 174.700 0.198 0.000 1.117 605 T CA 0.888 63.042 62.100 0.090 0.000 1.034 605 T CB -0.043 68.897 68.868 0.119 0.000 0.968 605 T HN 0.501 nan 8.240 nan 0.000 0.526 606 W N 1.184 122.389 121.300 -0.158 0.000 2.375 606 W HA 0.650 5.320 4.660 0.017 0.000 0.336 606 W C -0.502 175.774 176.519 -0.405 0.000 1.160 606 W CA -1.856 55.298 57.345 -0.319 0.000 1.266 606 W CB 0.716 30.014 29.460 -0.270 0.000 1.195 606 W HN -0.174 nan 8.180 nan 0.000 0.599 607 V N 3.104 122.632 119.914 -0.644 0.000 2.588 607 V HA 0.426 4.556 4.120 0.017 0.000 0.304 607 V C -0.944 174.505 176.094 -1.076 0.000 1.042 607 V CA -1.043 60.757 62.300 -0.833 0.000 0.877 607 V CB 1.324 32.371 31.823 -1.293 0.000 0.996 607 V HN 0.170 nan 8.190 nan 0.000 0.425 608 F N 2.554 122.111 119.950 -0.655 0.000 2.443 608 F HA 0.807 5.344 4.527 0.017 0.000 0.335 608 F C 0.491 175.882 175.800 -0.682 0.000 1.104 608 F CA -0.639 56.973 58.000 -0.646 0.000 1.013 608 F CB 1.922 40.653 39.000 -0.450 0.000 1.136 608 F HN 0.552 nan 8.300 nan 0.000 0.470 609 A N 3.918 126.470 122.820 -0.446 0.000 2.330 609 A HA 0.807 5.137 4.320 0.017 0.000 0.313 609 A C -1.621 175.743 177.584 -0.366 0.000 1.124 609 A CA -0.433 51.497 52.037 -0.179 0.000 0.774 609 A CB 0.263 19.426 19.000 0.272 0.000 1.198 609 A HN 0.521 nan 8.150 nan 0.000 0.465 610 F N 1.858 121.990 119.950 0.302 0.000 2.467 610 F HA 0.430 4.967 4.527 0.017 0.000 0.336 610 F C 0.322 176.290 175.800 0.280 0.000 1.123 610 F CA -0.921 57.248 58.000 0.282 0.000 0.964 610 F CB 1.938 41.160 39.000 0.371 0.000 1.136 610 F HN 0.573 nan 8.300 nan 0.000 0.447 611 N N 2.378 121.274 118.700 0.326 0.000 2.501 611 N HA 0.151 4.901 4.740 0.017 0.000 0.245 611 N C -0.250 175.394 175.510 0.223 0.000 0.974 611 N CA -0.381 52.825 53.050 0.260 0.000 0.941 611 N CB 0.299 38.863 38.487 0.129 0.000 1.122 611 N HN 0.469 nan 8.380 nan 0.000 0.507 612 Y N 2.627 123.082 120.300 0.258 0.000 2.553 612 Y HA 0.216 4.776 4.550 0.017 0.000 0.303 612 Y C 1.765 177.879 175.900 0.357 0.000 1.194 612 Y CA 0.823 59.120 58.100 0.328 0.000 1.305 612 Y CB -0.404 38.228 38.460 0.287 0.000 1.045 612 Y HN 0.772 nan 8.280 nan 0.000 0.514 613 G N 0.916 109.861 108.800 0.242 0.000 2.693 613 G HA2 -0.241 3.729 3.960 0.017 0.000 0.226 613 G HA3 -0.241 3.729 3.960 0.017 0.000 0.226 613 G C -1.758 173.229 174.900 0.145 0.000 1.354 613 G CA -0.299 44.832 45.100 0.051 0.000 0.873 613 G HN 0.147 nan 8.290 nan 0.000 0.562 614 P HA 0.153 nan 4.420 nan 0.000 0.245 614 P C 0.397 177.627 177.300 -0.116 0.000 1.206 614 P CA 0.972 64.058 63.100 -0.023 0.000 0.781 614 P CB 0.350 32.078 31.700 0.046 0.000 0.994 615 E N -0.385 119.774 120.200 -0.068 0.000 2.281 615 E HA 0.591 4.952 4.350 0.017 0.000 0.262 615 E C -0.371 176.188 176.600 -0.068 0.000 0.933 615 E CA -1.199 55.159 56.400 -0.070 0.000 0.809 615 E CB 1.764 31.446 29.700 -0.030 0.000 1.242 615 E HN -0.091 nan 8.360 nan 0.000 0.418 616 A N 0.871 123.652 122.820 -0.066 0.000 2.425 616 A HA 0.434 4.764 4.320 0.017 0.000 0.242 616 A C -0.007 177.564 177.584 -0.022 0.000 1.077 616 A CA -0.250 51.756 52.037 -0.052 0.000 0.781 616 A CB 0.114 19.080 19.000 -0.056 0.000 1.020 616 A HN 0.400 nan 8.150 nan 0.000 0.494 617 V N -0.942 118.967 119.914 -0.009 0.000 3.159 617 V HA 0.667 4.797 4.120 0.017 0.000 0.308 617 V C -0.687 175.404 176.094 -0.005 0.000 1.190 617 V CA -0.999 61.306 62.300 0.007 0.000 1.037 617 V CB 1.677 33.526 31.823 0.044 0.000 1.060 617 V HN 0.900 nan 8.190 nan 0.000 0.437 618 E N 1.499 121.693 120.200 -0.010 0.000 2.216 618 E HA 0.667 5.027 4.350 0.017 0.000 0.279 618 E C -0.094 176.493 176.600 -0.023 0.000 0.997 618 E CA -0.544 55.834 56.400 -0.037 0.000 0.817 618 E CB 1.955 31.623 29.700 -0.053 0.000 1.096 618 E HN 1.121 nan 8.360 nan 0.000 0.393 619 A N 4.493 127.280 122.820 -0.054 0.000 2.409 619 A HA 0.219 4.549 4.320 0.017 0.000 0.262 619 A C -1.834 175.637 177.584 -0.189 0.000 1.113 619 A CA -1.221 50.770 52.037 -0.077 0.000 0.790 619 A CB -0.052 18.848 19.000 -0.167 0.000 1.046 619 A HN 0.425 nan 8.150 nan 0.000 0.496 620 P HA 0.207 nan 4.420 nan 0.000 0.228 620 P C -0.014 177.213 177.300 -0.122 0.000 1.748 620 P CA 0.358 63.431 63.100 -0.046 0.000 0.909 620 P CB -0.338 31.407 31.700 0.075 0.000 1.882 621 A N 1.465 123.986 122.820 -0.499 0.000 2.354 621 A HA 0.455 4.785 4.320 0.017 0.000 0.269 621 A C 0.874 178.282 177.584 -0.294 0.000 1.109 621 A CA -0.315 51.275 52.037 -0.746 0.000 0.800 621 A CB 0.199 18.177 19.000 -1.704 0.000 1.045 621 A HN 0.427 nan 8.150 nan 0.000 0.489 622 S N 1.392 117.016 115.700 -0.128 0.000 2.576 622 S HA 0.227 4.707 4.470 0.017 0.000 0.272 622 S C 0.119 174.671 174.600 -0.079 0.000 1.352 622 S CA -0.250 57.921 58.200 -0.048 0.000 1.021 622 S CB 0.370 63.584 63.200 0.023 0.000 0.887 622 S HN 0.763 nan 8.310 nan 0.000 0.542 623 E N 0.506 120.679 120.200 -0.045 0.000 2.384 623 E HA 0.417 4.777 4.350 0.017 0.000 0.266 623 E C 1.400 177.984 176.600 -0.027 0.000 1.012 623 E CA 1.303 57.679 56.400 -0.039 0.000 0.901 623 E CB -0.058 29.625 29.700 -0.028 0.000 0.967 623 E HN 1.141 nan 8.360 nan 0.000 0.435 624 G N 2.572 111.360 108.800 -0.021 0.000 2.184 624 G HA2 -0.297 3.673 3.960 0.017 0.000 0.264 624 G HA3 -0.297 3.673 3.960 0.017 0.000 0.264 624 G C 0.475 175.372 174.900 -0.004 0.000 0.975 624 G CA 0.256 45.351 45.100 -0.008 0.000 0.642 624 G HN 0.922 nan 8.290 nan 0.000 0.536 625 A N -0.159 122.645 122.820 -0.028 0.000 2.555 625 A HA 0.517 4.847 4.320 0.017 0.000 0.233 625 A C 0.823 178.389 177.584 -0.030 0.000 1.060 625 A CA 1.118 53.117 52.037 -0.064 0.000 0.759 625 A CB 0.146 18.997 19.000 -0.249 0.000 0.995 625 A HN 0.984 nan 8.150 nan 0.000 0.506 626 R N 1.862 122.322 120.500 -0.066 0.000 2.229 626 R HA 0.441 4.791 4.340 0.017 0.000 0.332 626 R C -1.615 174.605 176.300 -0.134 0.000 0.989 626 R CA -0.352 55.724 56.100 -0.041 0.000 0.842 626 R CB 0.180 30.438 30.300 -0.070 0.000 1.119 626 R HN 0.523 nan 8.270 nan 0.000 0.456 627 F N 5.344 125.228 119.950 -0.111 0.000 2.445 627 F HA 0.103 4.640 4.527 0.017 0.000 0.359 627 F C 1.061 176.732 175.800 -0.216 0.000 1.101 627 F CA -0.464 57.459 58.000 -0.129 0.000 1.177 627 F CB 1.044 39.972 39.000 -0.120 0.000 1.110 627 F HN 0.440 nan 8.300 nan 0.000 0.522 628 L N 3.294 124.359 121.223 -0.262 0.000 2.249 628 L HA 0.174 4.524 4.340 0.017 0.000 0.207 628 L C -0.008 176.720 176.870 -0.235 0.000 1.090 628 L CA 0.718 55.344 54.840 -0.356 0.000 0.802 628 L CB -0.595 41.021 42.059 -0.738 0.000 0.947 628 L HN 0.433 nan 8.230 nan 0.000 0.453 629 L N -1.195 119.909 121.223 -0.198 0.000 2.513 629 L HA 0.647 4.998 4.340 0.017 0.000 0.261 629 L C 0.048 176.900 176.870 -0.031 0.000 0.945 629 L CA 0.479 55.227 54.840 -0.153 0.000 0.848 629 L CB 1.588 43.454 42.059 -0.321 0.000 1.334 629 L HN 0.306 nan 8.230 nan 0.000 0.407 630 G N 2.816 111.603 108.800 -0.021 0.000 2.645 630 G HA2 0.101 4.071 3.960 0.017 0.000 0.239 630 G HA3 0.101 4.071 3.960 0.017 0.000 0.239 630 G C -0.560 174.306 174.900 -0.057 0.000 1.331 630 G CA 0.042 45.136 45.100 -0.010 0.000 0.890 630 G HN 1.742 nan 8.290 nan 0.000 0.572 631 S N -2.100 113.497 115.700 -0.171 0.000 2.685 631 S HA 0.723 5.203 4.470 0.017 0.000 0.282 631 S C 0.943 175.186 174.600 -0.595 0.000 1.159 631 S CA 0.403 58.255 58.200 -0.580 0.000 0.833 631 S CB 2.069 65.023 63.200 -0.410 0.000 1.151 631 S HN 1.214 nan 8.310 nan 0.000 0.485 632 R N 0.417 120.343 120.500 -0.957 0.000 2.105 632 R HA -0.022 4.328 4.340 0.017 0.000 0.239 632 R C 0.973 177.142 176.300 -0.219 0.000 1.135 632 R CA 1.031 56.851 56.100 -0.467 0.000 0.967 632 R CB -0.107 29.936 30.300 -0.429 0.000 0.861 632 R HN 0.661 nan 8.270 nan 0.000 0.442 633 R N 1.133 121.501 120.500 -0.221 0.000 2.220 633 R HA 0.140 4.490 4.340 0.017 0.000 0.340 633 R C -1.312 174.933 176.300 -0.092 0.000 1.076 633 R CA -0.233 55.788 56.100 -0.130 0.000 0.920 633 R CB 0.927 31.151 30.300 -0.127 0.000 1.062 633 R HN -0.032 nan 8.270 nan 0.000 0.469 634 V N 5.086 124.973 119.914 -0.044 0.000 2.348 634 V HA 0.320 4.450 4.120 0.017 0.000 0.270 634 V C 1.126 177.205 176.094 -0.025 0.000 1.037 634 V CA -0.634 61.659 62.300 -0.011 0.000 0.872 634 V CB 1.085 32.934 31.823 0.042 0.000 1.002 634 V HN 0.930 nan 8.190 nan 0.000 0.464 635 G N 6.351 115.126 108.800 -0.041 0.000 2.634 635 G HA2 0.394 4.365 3.960 0.017 0.000 0.255 635 G HA3 0.394 4.365 3.960 0.017 0.000 0.255 635 G C -2.384 172.445 174.900 -0.119 0.000 1.205 635 G CA -1.009 44.046 45.100 -0.075 0.000 0.884 635 G HN 0.570 nan 8.290 nan 0.000 0.549 636 P HA 0.007 nan 4.420 nan 0.000 0.268 636 P C -0.722 176.255 177.300 -0.538 0.000 1.205 636 P CA 0.393 63.168 63.100 -0.541 0.000 0.771 636 P CB 0.077 31.236 31.700 -0.901 0.000 0.858 637 Y N -2.172 118.125 120.300 -0.004 0.000 4.409 637 Y HA -0.253 4.307 4.550 0.017 0.000 0.228 637 Y C 0.507 176.383 175.900 -0.040 0.000 1.108 637 Y CA 0.255 58.307 58.100 -0.079 0.000 1.955 637 Y CB -1.999 36.409 38.460 -0.086 0.000 1.615 637 Y HN 0.372 nan 8.280 nan 0.000 0.665 638 D N 0.267 120.718 120.400 0.085 0.000 2.687 638 D HA 0.833 5.483 4.640 0.017 0.000 0.264 638 D C -0.550 175.836 176.300 0.144 0.000 1.091 638 D CA -0.315 53.745 54.000 0.100 0.000 1.123 638 D CB 1.755 42.584 40.800 0.048 0.000 1.407 638 D HN 0.080 nan 8.370 nan 0.000 0.591 639 L N -2.147 119.153 121.223 0.129 0.000 2.502 639 L HA 1.032 5.382 4.340 0.017 0.000 0.253 639 L C -1.496 175.390 176.870 0.027 0.000 1.070 639 L CA -1.021 53.881 54.840 0.102 0.000 0.871 639 L CB 1.599 43.786 42.059 0.214 0.000 1.487 639 L HN 0.357 nan 8.230 nan 0.000 0.408 640 A N 0.292 123.105 122.820 -0.011 0.000 2.549 640 A HA 0.921 5.251 4.320 0.017 0.000 0.297 640 A C -1.523 176.000 177.584 -0.102 0.000 1.061 640 A CA -0.652 51.431 52.037 0.076 0.000 0.690 640 A CB 2.074 21.277 19.000 0.338 0.000 1.287 640 A HN 0.830 nan 8.150 nan 0.000 0.402 641 V N 1.076 120.858 119.914 -0.220 0.000 2.686 641 V HA 0.770 4.901 4.120 0.017 0.000 0.306 641 V C -0.919 174.849 176.094 -0.543 0.000 1.065 641 V CA -0.269 61.614 62.300 -0.695 0.000 0.894 641 V CB 1.298 32.477 31.823 -1.074 0.000 1.004 641 V HN 1.291 nan 8.190 nan 0.000 0.424 642 W N 2.022 122.819 121.300 -0.837 0.000 3.075 642 W HA 0.753 5.423 4.660 0.017 0.000 0.334 642 W C -0.979 175.127 176.519 -0.688 0.000 1.243 642 W CA -0.947 55.851 57.345 -0.912 0.000 1.170 642 W CB 1.085 29.734 29.460 -1.352 0.000 1.452 642 W HN 0.466 nan 8.180 nan 0.000 0.572 643 E N 2.190 122.167 120.200 -0.371 0.000 2.052 643 E HA 0.125 4.485 4.350 0.017 0.000 0.283 643 E C -0.228 176.392 176.600 0.033 0.000 1.071 643 E CA -0.429 55.834 56.400 -0.228 0.000 0.851 643 E CB 1.205 30.802 29.700 -0.171 0.000 1.066 643 E HN 0.339 nan 8.360 nan 0.000 0.396 644 E N 0.000 120.210 120.200 0.017 0.000 2.725 644 E HA 0.000 4.360 4.350 0.017 0.000 0.291 644 E CA 0.000 56.493 56.400 0.156 0.000 0.976 644 E CB 0.000 29.759 29.700 0.098 0.000 0.812 644 E HN 0.000 nan 8.360 nan 0.000 0.440