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 2q3z_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAEELVLERC DLELETNGRD HHTADLCREK LVVRRGQPFW LTLHFEGRNY DATA SEQUENCE QASVDSLTFS VVTGPAPSQE AGTKARFPLR DAVEEGDWTA TVVDQQDCTL DATA SEQUENCE SLQLTTPANA PIGLYRLSLE ASTGYQGSSF VLGHFILLFN AWCPADAVYL DATA SEQUENCE DSEEERQEYV LTQQGFIYQG SAKFIKNIPW NFGQFQDGIL DICLILLDVN DATA SEQUENCE PKFLKNAGRD CSRRSSPVYV GRVGSGMVNC NDDQGVLLGR WDNNYGDGVS DATA SEQUENCE PMSWIGSVDI LRRWKNHGCQ RVKYGQCWVF AAVACTVLRC LGIPTRVVTN DATA SEQUENCE YNSAHDXXSN LLIEYFRNXX XXXXXXXSEM IWNFHCWVES WMTRPDLQPG DATA SEQUENCE YEGWQALDPT PQEKSEGTYC CGPVPVRAIK EGDLSTKYDA PFVFAEVNAD DATA SEQUENCE VVDWIQXXXX XXXKSINRSL IVGLKISTKS VGRDEREDIT HTYKYPEGSS DATA SEQUENCE EEREAFTRAN HXXXXXXXXX XGMAMRIRVG QSMNMGSDFD VFAHITNNTA DATA SEQUENCE EEYVCRLLLC ARTVSYNGIL GPECGTKYLL NLTLEPFSEK SVPLCILYEK DATA SEQUENCE YRDCLTESNL IKVRALLVEP VINSYLLAER DLYLENPEIK IRILGEPKQK DATA SEQUENCE RKLVAEVSLQ NPLPVALEGC TFTVEGAGLT EEQKTVEIPD PVEAGEEVKV DATA SEQUENCE RMDLVPLHMG LHKLVVNFES DKLKAVKGFR NVI 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 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.604 32.600 0.007 0.000 1.302 2 A N 2.087 124.899 122.820 -0.014 0.000 2.488 2 A HA 0.432 4.776 4.320 0.041 0.000 0.249 2 A C -0.135 177.437 177.584 -0.020 0.000 1.083 2 A CA 0.276 52.295 52.037 -0.031 0.000 0.768 2 A CB -0.163 18.802 19.000 -0.059 0.000 1.017 2 A HN 0.525 nan 8.150 nan 0.000 0.496 3 E N 1.237 121.425 120.200 -0.020 0.000 2.227 3 E HA 0.266 4.641 4.350 0.041 0.000 0.268 3 E C -0.404 176.185 176.600 -0.017 0.000 0.990 3 E CA -0.546 55.849 56.400 -0.008 0.000 0.856 3 E CB 0.998 30.697 29.700 -0.001 0.000 1.159 3 E HN 0.784 nan 8.360 nan 0.000 0.401 4 E N 1.273 121.473 120.200 -0.001 0.000 2.415 4 E HA 0.045 4.420 4.350 0.041 0.000 0.262 4 E C -0.314 176.289 176.600 0.005 0.000 1.038 4 E CA -0.057 56.346 56.400 0.004 0.000 0.921 4 E CB 0.579 30.295 29.700 0.028 0.000 0.950 4 E HN 0.257 nan 8.360 nan 0.000 0.438 5 L N 1.698 122.920 121.223 -0.002 0.000 2.452 5 L HA 0.147 4.512 4.340 0.041 0.000 0.267 5 L C -0.296 176.652 176.870 0.131 0.000 1.188 5 L CA -0.326 54.515 54.840 0.002 0.000 0.821 5 L CB 0.502 42.472 42.059 -0.147 0.000 1.102 5 L HN 0.258 nan 8.230 nan 0.000 0.470 6 V N 3.464 123.499 119.914 0.201 0.000 2.443 6 V HA 0.240 4.385 4.120 0.041 0.000 0.293 6 V C -0.231 176.036 176.094 0.287 0.000 1.021 6 V CA -0.588 61.811 62.300 0.166 0.000 0.848 6 V CB 1.729 33.599 31.823 0.079 0.000 0.998 6 V HN 0.409 nan 8.190 nan 0.000 0.424 7 L N 3.829 125.163 121.223 0.185 0.000 2.360 7 L HA 0.312 4.677 4.340 0.041 0.000 0.276 7 L C 1.332 178.190 176.870 -0.020 0.000 1.121 7 L CA 0.892 55.770 54.840 0.064 0.000 0.845 7 L CB 0.777 42.875 42.059 0.065 0.000 1.143 7 L HN 0.817 nan 8.230 nan 0.000 0.452 8 E N 5.078 125.271 120.200 -0.012 0.000 2.042 8 E HA 0.003 4.378 4.350 0.041 0.000 0.189 8 E C -0.069 176.511 176.600 -0.032 0.000 0.974 8 E CA 0.536 56.930 56.400 -0.010 0.000 0.806 8 E CB 0.424 30.139 29.700 0.025 0.000 0.769 8 E HN 0.750 nan 8.360 nan 0.000 0.451 9 R N -1.237 119.247 120.500 -0.026 0.000 2.690 9 R HA 0.365 4.730 4.340 0.041 0.000 0.269 9 R C -1.685 174.637 176.300 0.036 0.000 1.037 9 R CA -0.817 55.274 56.100 -0.014 0.000 0.877 9 R CB 0.750 31.008 30.300 -0.070 0.000 1.255 9 R HN 0.077 nan 8.270 nan 0.000 0.467 10 C N 1.748 121.086 119.300 0.063 0.000 2.322 10 C HA 0.488 4.973 4.460 0.041 0.000 0.324 10 C C -0.710 174.341 174.990 0.101 0.000 1.284 10 C CA -0.302 58.775 59.018 0.099 0.000 1.606 10 C CB 0.872 28.682 27.740 0.117 0.000 2.251 10 C HN 0.793 nan 8.230 nan 0.000 0.502 11 D N 4.401 124.882 120.400 0.135 0.000 2.317 11 D HA 0.234 4.899 4.640 0.041 0.000 0.234 11 D C 0.827 177.195 176.300 0.113 0.000 1.112 11 D CA -0.154 53.915 54.000 0.115 0.000 0.840 11 D CB 1.024 41.922 40.800 0.163 0.000 1.078 11 D HN 0.705 nan 8.370 nan 0.000 0.486 12 L N 2.926 124.209 121.223 0.100 0.000 2.551 12 L HA -0.007 4.357 4.340 0.041 0.000 0.228 12 L C 0.702 177.635 176.870 0.105 0.000 1.153 12 L CA 0.236 55.139 54.840 0.106 0.000 0.851 12 L CB -0.293 41.821 42.059 0.093 0.000 0.959 12 L HN 0.438 nan 8.230 nan 0.000 0.451 13 E N 0.005 120.266 120.200 0.102 0.000 2.297 13 E HA -0.249 4.126 4.350 0.041 0.000 0.228 13 E C 1.060 177.713 176.600 0.089 0.000 1.213 13 E CA 0.362 56.828 56.400 0.110 0.000 0.712 13 E CB -1.719 28.087 29.700 0.176 0.000 1.202 13 E HN 0.530 nan 8.360 nan 0.000 0.376 14 L N -0.370 120.885 121.223 0.054 0.000 2.083 14 L HA -0.173 4.191 4.340 0.041 0.000 0.209 14 L C 2.598 179.481 176.870 0.021 0.000 1.083 14 L CA 1.714 56.570 54.840 0.026 0.000 0.752 14 L CB -0.252 41.817 42.059 0.017 0.000 0.899 14 L HN 0.249 nan 8.230 nan 0.000 0.433 15 E N -0.016 120.200 120.200 0.027 0.000 2.028 15 E HA -0.216 4.159 4.350 0.041 0.000 0.191 15 E C 2.176 178.791 176.600 0.026 0.000 0.988 15 E CA 1.982 58.391 56.400 0.015 0.000 0.799 15 E CB 0.110 29.815 29.700 0.009 0.000 0.755 15 E HN 0.548 nan 8.360 nan 0.000 0.447 16 T N -0.704 113.884 114.554 0.057 0.000 2.857 16 T HA -0.057 4.318 4.350 0.041 0.000 0.266 16 T C 1.666 176.483 174.700 0.196 0.000 1.048 16 T CA 0.988 63.143 62.100 0.091 0.000 1.139 16 T CB -0.268 68.631 68.868 0.052 0.000 0.874 16 T HN 0.003 nan 8.240 nan 0.000 0.455 17 N N 2.063 120.886 118.700 0.205 0.000 2.084 17 N HA -0.010 4.754 4.740 0.041 0.000 0.190 17 N C 2.284 177.818 175.510 0.041 0.000 1.030 17 N CA 1.617 54.756 53.050 0.148 0.000 0.849 17 N CB -1.179 37.311 38.487 0.005 0.000 1.012 17 N HN 0.622 nan 8.380 nan 0.000 0.423 18 G N 1.162 109.954 108.800 -0.014 0.000 2.446 18 G HA2 -0.309 3.676 3.960 0.041 0.000 0.217 18 G HA3 -0.309 3.676 3.960 0.041 0.000 0.217 18 G C 1.692 176.532 174.900 -0.101 0.000 1.168 18 G CA 0.957 46.018 45.100 -0.065 0.000 0.771 18 G HN 0.313 nan 8.290 nan 0.000 0.551 19 R N 0.180 120.634 120.500 -0.077 0.000 2.080 19 R HA -0.102 4.263 4.340 0.041 0.000 0.236 19 R C 2.150 178.288 176.300 -0.270 0.000 1.137 19 R CA 2.025 58.046 56.100 -0.133 0.000 0.943 19 R CB -0.338 29.922 30.300 -0.068 0.000 0.846 19 R HN 0.238 nan 8.270 nan 0.000 0.431 20 D N -0.979 119.338 120.400 -0.138 0.000 2.224 20 D HA -0.091 4.574 4.640 0.041 0.000 0.205 20 D C 1.193 177.152 176.300 -0.568 0.000 0.965 20 D CA 1.047 54.910 54.000 -0.229 0.000 0.852 20 D CB 0.008 40.886 40.800 0.130 0.000 0.947 20 D HN 0.415 nan 8.370 nan 0.000 0.494 21 H N -0.841 117.963 119.070 -0.443 0.000 2.539 21 H HA 0.083 4.664 4.556 0.041 0.000 0.269 21 H C -0.098 174.960 175.328 -0.450 0.000 0.980 21 H CA 0.221 56.036 56.048 -0.388 0.000 1.152 21 H CB 0.155 29.776 29.762 -0.236 0.000 1.407 21 H HN 0.301 nan 8.280 nan 0.000 0.564 22 H N -0.026 118.813 119.070 -0.385 0.000 2.770 22 H HA -0.145 4.436 4.556 0.041 0.000 0.309 22 H C 0.599 175.739 175.328 -0.313 0.000 1.206 22 H CA 1.039 56.823 56.048 -0.441 0.000 1.147 22 H CB -1.995 27.200 29.762 -0.945 0.000 1.422 22 H HN 0.412 nan 8.280 nan 0.000 0.420 23 T N -4.628 109.808 114.554 -0.197 0.000 3.288 23 T HA 0.646 5.021 4.350 0.041 0.000 0.293 23 T C 1.708 176.273 174.700 -0.224 0.000 1.008 23 T CA 0.085 62.042 62.100 -0.238 0.000 0.929 23 T CB 0.618 69.406 68.868 -0.135 0.000 1.152 23 T HN 0.482 nan 8.240 nan 0.000 0.517 24 A N 2.461 125.167 122.820 -0.190 0.000 1.902 24 A HA -0.100 4.245 4.320 0.041 0.000 0.217 24 A C 2.093 179.614 177.584 -0.105 0.000 1.181 24 A CA 1.627 53.593 52.037 -0.119 0.000 0.623 24 A CB -0.593 18.358 19.000 -0.083 0.000 0.818 24 A HN 0.506 nan 8.150 nan 0.000 0.443 25 D N -0.196 120.115 120.400 -0.147 0.000 2.219 25 D HA -0.065 4.600 4.640 0.041 0.000 0.205 25 D C 1.637 177.909 176.300 -0.047 0.000 0.970 25 D CA 0.915 54.877 54.000 -0.063 0.000 0.851 25 D CB -0.102 40.704 40.800 0.010 0.000 0.943 25 D HN 0.475 nan 8.370 nan 0.000 0.488 26 L N -0.167 120.979 121.223 -0.128 0.000 2.509 26 L HA 0.053 4.418 4.340 0.041 0.000 0.222 26 L C 1.416 178.266 176.870 -0.032 0.000 1.123 26 L CA 0.132 54.941 54.840 -0.052 0.000 0.856 26 L CB 0.445 42.456 42.059 -0.080 0.000 0.985 26 L HN -0.020 nan 8.230 nan 0.000 0.456 27 C N -0.399 118.873 119.300 -0.047 0.000 2.563 27 C HA 0.170 4.654 4.460 0.041 0.000 0.307 27 C C 2.250 177.233 174.990 -0.012 0.000 1.371 27 C CA -0.495 58.505 59.018 -0.030 0.000 1.772 27 C CB -1.118 26.594 27.740 -0.047 0.000 2.283 27 C HN 0.407 nan 8.230 nan 0.000 0.570 28 R N 0.983 121.481 120.500 -0.003 0.000 2.120 28 R HA -0.103 4.262 4.340 0.041 0.000 0.234 28 R C 1.455 177.761 176.300 0.009 0.000 1.123 28 R CA 1.338 57.440 56.100 0.005 0.000 0.975 28 R CB 0.122 30.428 30.300 0.011 0.000 0.866 28 R HN 0.656 nan 8.270 nan 0.000 0.446 29 E N -1.276 118.931 120.200 0.012 0.000 2.489 29 E HA 0.143 4.518 4.350 0.041 0.000 0.208 29 E C -0.148 176.465 176.600 0.022 0.000 0.814 29 E CA 0.062 56.471 56.400 0.016 0.000 1.348 29 E CB 0.919 30.627 29.700 0.014 0.000 1.334 29 E HN 0.029 nan 8.360 nan 0.000 0.672 30 K N 0.924 121.337 120.400 0.022 0.000 2.350 30 K HA 0.429 4.773 4.320 0.041 0.000 0.241 30 K C -1.176 175.442 176.600 0.029 0.000 0.994 30 K CA -1.054 55.254 56.287 0.035 0.000 0.839 30 K CB 2.254 34.774 32.500 0.033 0.000 1.244 30 K HN -0.149 nan 8.250 nan 0.000 0.443 31 L N 2.053 123.306 121.223 0.050 0.000 2.281 31 L HA 0.307 4.672 4.340 0.041 0.000 0.285 31 L C -1.266 175.602 176.870 -0.005 0.000 1.074 31 L CA -0.151 54.694 54.840 0.009 0.000 0.817 31 L CB 1.146 43.220 42.059 0.026 0.000 1.168 31 L HN 0.292 nan 8.230 nan 0.000 0.434 32 V N 6.266 126.133 119.914 -0.078 0.000 2.483 32 V HA 0.722 4.867 4.120 0.041 0.000 0.297 32 V C -0.365 175.610 176.094 -0.198 0.000 1.027 32 V CA -0.416 61.837 62.300 -0.079 0.000 0.855 32 V CB 1.767 33.570 31.823 -0.034 0.000 0.995 32 V HN 0.704 nan 8.190 nan 0.000 0.424 33 V N 2.637 122.397 119.914 -0.256 0.000 3.167 33 V HA 0.764 4.909 4.120 0.041 0.000 0.310 33 V C -0.792 175.241 176.094 -0.103 0.000 1.207 33 V CA -1.213 60.823 62.300 -0.440 0.000 1.059 33 V CB 2.527 33.665 31.823 -1.141 0.000 1.079 33 V HN 0.779 nan 8.190 nan 0.000 0.446 34 R N 0.716 121.338 120.500 0.203 0.000 2.711 34 R HA 0.619 4.983 4.340 0.041 0.000 0.284 34 R C -0.407 175.969 176.300 0.125 0.000 0.968 34 R CA -0.935 55.280 56.100 0.192 0.000 0.924 34 R CB 2.250 32.700 30.300 0.250 0.000 1.162 34 R HN 0.966 nan 8.270 nan 0.000 0.465 35 R N -0.001 120.528 120.500 0.049 0.000 2.641 35 R HA 0.347 4.711 4.340 0.041 0.000 0.269 35 R C 0.413 176.697 176.300 -0.028 0.000 1.074 35 R CA 0.379 56.453 56.100 -0.043 0.000 1.133 35 R CB 0.337 30.590 30.300 -0.078 0.000 1.029 35 R HN 0.783 nan 8.270 nan 0.000 0.488 36 G N -0.016 108.715 108.800 -0.115 0.000 2.143 36 G HA2 -0.336 3.649 3.960 0.041 0.000 0.249 36 G HA3 -0.336 3.649 3.960 0.041 0.000 0.249 36 G C -0.146 174.700 174.900 -0.089 0.000 0.981 36 G CA 0.626 45.661 45.100 -0.109 0.000 0.665 36 G HN 0.772 nan 8.290 nan 0.000 0.528 37 Q N 0.330 120.089 119.800 -0.069 0.000 2.305 37 Q HA 0.560 4.924 4.340 0.041 0.000 0.271 37 Q C -2.763 173.198 176.000 -0.064 0.000 1.046 37 Q CA -2.345 53.402 55.803 -0.093 0.000 0.798 37 Q CB 2.855 31.472 28.738 -0.202 0.000 1.286 37 Q HN 0.142 nan 8.270 nan 0.000 0.435 38 P HA 0.079 nan 4.420 nan 0.000 0.268 38 P C -1.139 175.831 177.300 -0.549 0.000 1.205 38 P CA 0.329 63.199 63.100 -0.383 0.000 0.771 38 P CB 0.058 31.536 31.700 -0.369 0.000 0.858 39 F N 0.393 119.815 119.950 -0.881 0.000 2.640 39 F HA 0.807 5.359 4.527 0.041 0.000 0.324 39 F C -1.228 173.905 175.800 -1.112 0.000 1.077 39 F CA -1.360 55.981 58.000 -1.098 0.000 0.965 39 F CB 1.208 39.734 39.000 -0.790 0.000 1.351 39 F HN 0.211 nan 8.300 nan 0.000 0.487 40 W N 2.295 123.593 121.300 -0.003 0.000 2.666 40 W HA 0.751 5.435 4.660 0.041 0.000 0.334 40 W C -1.455 175.036 176.519 -0.047 0.000 1.051 40 W CA -1.099 56.187 57.345 -0.098 0.000 1.224 40 W CB 1.978 31.412 29.460 -0.044 0.000 1.405 40 W HN 0.440 nan 8.180 nan 0.000 0.513 41 L N 1.803 123.086 121.223 0.099 0.000 2.431 41 L HA 0.508 4.873 4.340 0.041 0.000 0.266 41 L C -0.246 176.669 176.870 0.074 0.000 0.978 41 L CA -0.554 54.334 54.840 0.079 0.000 0.822 41 L CB 2.607 44.670 42.059 0.007 0.000 1.310 41 L HN 0.183 nan 8.230 nan 0.000 0.409 42 T N 3.661 118.261 114.554 0.077 0.000 2.815 42 T HA 0.542 4.917 4.350 0.041 0.000 0.289 42 T C -0.245 174.454 174.700 -0.002 0.000 1.000 42 T CA -0.421 61.691 62.100 0.021 0.000 0.958 42 T CB 0.982 69.863 68.868 0.022 0.000 0.944 42 T HN 0.252 nan 8.240 nan 0.000 0.442 43 L N 3.727 124.884 121.223 -0.110 0.000 2.312 43 L HA 0.489 4.854 4.340 0.041 0.000 0.281 43 L C -0.199 176.413 176.870 -0.430 0.000 1.070 43 L CA -0.755 53.937 54.840 -0.247 0.000 0.805 43 L CB 0.590 42.425 42.059 -0.373 0.000 1.174 43 L HN 0.664 nan 8.230 nan 0.000 0.434 44 H N 2.432 121.281 119.070 -0.369 0.000 2.587 44 H HA 0.444 5.025 4.556 0.041 0.000 0.325 44 H C -1.001 174.123 175.328 -0.340 0.000 1.012 44 H CA -0.210 55.698 56.048 -0.233 0.000 1.213 44 H CB 1.088 30.790 29.762 -0.100 0.000 1.431 44 H HN 0.258 nan 8.280 nan 0.000 0.492 45 F N 1.005 121.032 119.950 0.127 0.000 2.422 45 F HA 0.229 4.781 4.527 0.041 0.000 0.333 45 F C 0.716 176.565 175.800 0.081 0.000 1.095 45 F CA -0.902 57.156 58.000 0.097 0.000 1.038 45 F CB 1.294 40.344 39.000 0.084 0.000 1.156 45 F HN 0.430 nan 8.300 nan 0.000 0.483 46 E N 1.815 122.161 120.200 0.243 0.000 2.152 46 E HA 0.493 4.867 4.350 0.041 0.000 0.285 46 E C 0.522 177.202 176.600 0.133 0.000 1.043 46 E CA 0.682 57.168 56.400 0.144 0.000 0.839 46 E CB 0.458 30.211 29.700 0.088 0.000 1.069 46 E HN 0.761 nan 8.360 nan 0.000 0.399 47 G N 4.727 113.589 108.800 0.104 0.000 2.527 47 G HA2 -0.349 3.635 3.960 0.041 0.000 0.262 47 G HA3 -0.349 3.635 3.960 0.041 0.000 0.262 47 G C -0.191 174.756 174.900 0.079 0.000 1.153 47 G CA -0.044 45.101 45.100 0.075 0.000 0.954 47 G HN 0.774 nan 8.290 nan 0.000 0.552 48 R N 1.255 121.780 120.500 0.041 0.000 2.570 48 R HA 0.248 4.613 4.340 0.041 0.000 0.277 48 R C 0.518 176.808 176.300 -0.017 0.000 1.039 48 R CA 0.163 56.264 56.100 0.002 0.000 1.065 48 R CB 0.056 30.333 30.300 -0.037 0.000 0.964 48 R HN 0.603 nan 8.270 nan 0.000 0.428 49 N N 2.226 120.921 118.700 -0.007 0.000 2.381 49 N HA -0.058 4.707 4.740 0.041 0.000 0.254 49 N C -1.045 174.352 175.510 -0.188 0.000 1.264 49 N CA -0.279 52.758 53.050 -0.022 0.000 0.942 49 N CB 0.297 38.839 38.487 0.092 0.000 1.190 49 N HN 0.474 nan 8.380 nan 0.000 0.495 50 Y N 0.907 120.958 120.300 -0.415 0.000 2.712 50 Y HA 0.005 4.580 4.550 0.041 0.000 0.333 50 Y C -0.295 175.511 175.900 -0.157 0.000 1.225 50 Y CA 0.600 58.491 58.100 -0.348 0.000 1.499 50 Y CB 0.292 38.618 38.460 -0.224 0.000 1.288 50 Y HN 0.373 nan 8.280 nan 0.000 0.575 51 Q N 5.337 124.704 119.800 -0.722 0.000 2.303 51 Q HA 0.491 4.856 4.340 0.041 0.000 0.267 51 Q C 0.410 175.899 176.000 -0.851 0.000 1.011 51 Q CA -0.194 55.240 55.803 -0.615 0.000 0.740 51 Q CB 1.853 30.396 28.738 -0.324 0.000 1.250 51 Q HN 0.931 nan 8.270 nan 0.000 0.458 52 A N 1.675 124.007 122.820 -0.813 0.000 2.024 52 A HA -0.195 4.149 4.320 0.041 0.000 0.220 52 A C 1.992 179.414 177.584 -0.268 0.000 1.164 52 A CA 2.179 53.898 52.037 -0.530 0.000 0.643 52 A CB -0.267 18.644 19.000 -0.148 0.000 0.806 52 A HN 0.723 nan 8.150 nan 0.000 0.451 53 S N -1.485 114.077 115.700 -0.229 0.000 2.489 53 S HA 0.061 4.555 4.470 0.041 0.000 0.228 53 S C 1.355 175.866 174.600 -0.149 0.000 0.995 53 S CA 1.118 59.231 58.200 -0.146 0.000 0.934 53 S CB 0.028 63.159 63.200 -0.115 0.000 0.771 53 S HN 0.237 nan 8.310 nan 0.000 0.522 54 V N 0.741 120.538 119.914 -0.195 0.000 3.151 54 V HA 0.244 4.388 4.120 0.041 0.000 0.241 54 V C -0.166 175.832 176.094 -0.160 0.000 1.173 54 V CA 0.355 62.555 62.300 -0.167 0.000 1.154 54 V CB 0.022 31.746 31.823 -0.164 0.000 0.898 54 V HN 0.381 nan 8.190 nan 0.000 0.473 55 D N 0.745 121.020 120.400 -0.209 0.000 2.192 55 D HA 0.482 5.146 4.640 0.041 0.000 0.246 55 D C -0.614 175.691 176.300 0.007 0.000 1.042 55 D CA 0.207 54.141 54.000 -0.110 0.000 0.847 55 D CB 1.933 42.667 40.800 -0.109 0.000 1.186 55 D HN 0.083 nan 8.370 nan 0.000 0.461 56 S N 1.755 117.471 115.700 0.027 0.000 2.566 56 S HA 0.398 4.893 4.470 0.041 0.000 0.324 56 S C -0.403 174.201 174.600 0.007 0.000 1.081 56 S CA -0.669 57.556 58.200 0.042 0.000 1.105 56 S CB 0.699 63.895 63.200 -0.007 0.000 0.981 56 S HN 0.186 nan 8.310 nan 0.000 0.464 57 L N 3.147 124.370 121.223 0.001 0.000 2.309 57 L HA 0.615 4.980 4.340 0.041 0.000 0.282 57 L C 0.321 177.031 176.870 -0.267 0.000 1.036 57 L CA 0.185 54.916 54.840 -0.182 0.000 0.806 57 L CB 1.604 43.509 42.059 -0.256 0.000 1.220 57 L HN 0.539 nan 8.230 nan 0.000 0.429 58 T N 3.156 117.462 114.554 -0.412 0.000 2.881 58 T HA 0.610 4.985 4.350 0.041 0.000 0.290 58 T C -0.750 173.572 174.700 -0.629 0.000 1.000 58 T CA -0.319 61.556 62.100 -0.374 0.000 0.978 58 T CB 0.780 69.522 68.868 -0.210 0.000 0.997 58 T HN 0.036 nan 8.240 nan 0.000 0.443 59 F N 1.321 120.941 119.950 -0.550 0.000 2.458 59 F HA 0.658 5.210 4.527 0.041 0.000 0.330 59 F C 0.805 176.189 175.800 -0.693 0.000 1.082 59 F CA -0.618 56.955 58.000 -0.712 0.000 0.995 59 F CB 1.884 40.214 39.000 -1.118 0.000 1.170 59 F HN 0.383 nan 8.300 nan 0.000 0.478 60 S N 1.453 117.017 115.700 -0.227 0.000 2.538 60 S HA 0.704 5.199 4.470 0.041 0.000 0.288 60 S C -1.032 173.531 174.600 -0.062 0.000 1.108 60 S CA -0.842 57.270 58.200 -0.148 0.000 0.971 60 S CB 1.856 64.984 63.200 -0.120 0.000 1.041 60 S HN 0.498 nan 8.310 nan 0.000 0.483 61 V N 0.718 120.592 119.914 -0.067 0.000 2.680 61 V HA 1.000 5.144 4.120 0.041 0.000 0.309 61 V C -0.385 175.698 176.094 -0.017 0.000 1.052 61 V CA -0.899 61.381 62.300 -0.034 0.000 0.908 61 V CB 1.209 32.932 31.823 -0.167 0.000 1.001 61 V HN 0.774 nan 8.190 nan 0.000 0.431 62 V N 0.298 120.236 119.914 0.039 0.000 2.876 62 V HA 0.927 5.072 4.120 0.041 0.000 0.312 62 V C -0.335 175.690 176.094 -0.116 0.000 1.085 62 V CA -0.243 62.052 62.300 -0.008 0.000 0.945 62 V CB 1.584 33.384 31.823 -0.038 0.000 1.017 62 V HN 1.206 nan 8.190 nan 0.000 0.428 63 T N 1.813 116.207 114.554 -0.267 0.000 2.893 63 T HA 0.807 5.181 4.350 0.041 0.000 0.293 63 T C 0.017 174.598 174.700 -0.199 0.000 1.027 63 T CA 0.988 62.815 62.100 -0.456 0.000 0.988 63 T CB 0.839 69.061 68.868 -1.077 0.000 1.043 63 T HN 2.778 nan 8.240 nan 0.000 0.461 64 G N 4.919 113.652 108.800 -0.112 0.000 2.757 64 G HA2 -0.090 3.895 3.960 0.041 0.000 0.638 64 G HA3 -0.090 3.895 3.960 0.041 0.000 0.638 64 G C -2.103 172.815 174.900 0.030 0.000 1.344 64 G CA -0.201 44.909 45.100 0.015 0.000 0.855 64 G HN 0.654 nan 8.290 nan 0.000 0.537 65 P HA 0.433 nan 4.420 nan 0.000 0.255 65 P C 0.373 177.667 177.300 -0.010 0.000 1.248 65 P CA 1.494 64.617 63.100 0.038 0.000 0.807 65 P CB 0.672 32.411 31.700 0.064 0.000 1.150 66 A N 0.776 123.580 122.820 -0.026 0.000 3.474 66 A HA 0.443 4.787 4.320 0.041 0.000 0.251 66 A C -2.694 174.873 177.584 -0.029 0.000 1.062 66 A CA -0.890 51.126 52.037 -0.035 0.000 0.945 66 A CB 0.091 19.056 19.000 -0.058 0.000 1.296 66 A HN -0.021 nan 8.150 nan 0.000 0.592 67 P HA 0.396 nan 4.420 nan 0.000 0.271 67 P C -0.065 177.227 177.300 -0.013 0.000 1.218 67 P CA 0.463 63.550 63.100 -0.022 0.000 0.780 67 P CB 1.394 33.077 31.700 -0.029 0.000 0.901 68 S N 0.824 116.522 115.700 -0.003 0.000 2.550 68 S HA 0.216 4.710 4.470 0.041 0.000 0.270 68 S C 0.768 175.379 174.600 0.017 0.000 1.145 68 S CA -0.723 57.479 58.200 0.003 0.000 0.852 68 S CB 1.809 65.010 63.200 0.002 0.000 1.119 68 S HN 0.403 nan 8.310 nan 0.000 0.465 69 Q N 0.898 120.709 119.800 0.018 0.000 2.123 69 Q HA -0.120 4.244 4.340 0.041 0.000 0.199 69 Q C 1.822 177.849 176.000 0.045 0.000 0.966 69 Q CA 1.753 57.576 55.803 0.032 0.000 0.845 69 Q CB -0.214 28.540 28.738 0.027 0.000 0.907 69 Q HN 0.951 nan 8.270 nan 0.000 0.439 70 E N 0.914 121.134 120.200 0.034 0.000 2.110 70 E HA -0.157 4.217 4.350 0.041 0.000 0.193 70 E C 1.628 178.250 176.600 0.037 0.000 0.988 70 E CA 1.190 57.610 56.400 0.034 0.000 0.804 70 E CB -0.080 29.634 29.700 0.023 0.000 0.745 70 E HN 0.286 nan 8.360 nan 0.000 0.458 71 A N -0.075 122.764 122.820 0.032 0.000 2.206 71 A HA 0.252 4.597 4.320 0.041 0.000 0.211 71 A C 1.939 179.558 177.584 0.059 0.000 1.158 71 A CA 0.914 52.970 52.037 0.031 0.000 0.761 71 A CB -0.698 18.310 19.000 0.013 0.000 0.801 71 A HN 0.620 nan 8.150 nan 0.000 0.473 72 G N -1.317 107.535 108.800 0.088 0.000 2.184 72 G HA2 -0.330 3.655 3.960 0.041 0.000 0.264 72 G HA3 -0.330 3.655 3.960 0.041 0.000 0.264 72 G C 0.895 175.910 174.900 0.193 0.000 0.975 72 G CA 1.433 46.627 45.100 0.156 0.000 0.642 72 G HN 1.265 nan 8.290 nan 0.000 0.536 73 T N -2.734 111.887 114.554 0.111 0.000 3.086 73 T HA 0.486 4.861 4.350 0.041 0.000 0.250 73 T C 0.547 175.281 174.700 0.057 0.000 1.074 73 T CA 0.980 63.131 62.100 0.085 0.000 0.988 73 T CB 0.740 69.613 68.868 0.008 0.000 0.988 73 T HN 0.597 nan 8.240 nan 0.000 0.530 74 K N 0.634 121.057 120.400 0.039 0.000 2.427 74 K HA 0.708 5.052 4.320 0.041 0.000 0.252 74 K C -1.865 174.687 176.600 -0.080 0.000 0.931 74 K CA -0.801 55.473 56.287 -0.022 0.000 0.793 74 K CB 2.042 34.531 32.500 -0.017 0.000 1.211 74 K HN 0.164 nan 8.250 nan 0.000 0.426 75 A N 3.896 126.591 122.820 -0.209 0.000 2.486 75 A HA 0.674 5.018 4.320 0.041 0.000 0.300 75 A C -1.414 176.140 177.584 -0.050 0.000 1.048 75 A CA -0.900 50.991 52.037 -0.243 0.000 0.696 75 A CB 1.411 19.917 19.000 -0.823 0.000 1.278 75 A HN 0.800 nan 8.150 nan 0.000 0.405 76 R N 0.548 121.097 120.500 0.081 0.000 2.534 76 R HA 0.750 5.114 4.340 0.041 0.000 0.301 76 R C -1.531 174.930 176.300 0.268 0.000 0.961 76 R CA -0.373 55.774 56.100 0.078 0.000 0.871 76 R CB 1.734 32.038 30.300 0.007 0.000 1.170 76 R HN 0.763 nan 8.270 nan 0.000 0.446 77 F N 0.122 120.100 119.950 0.047 0.000 2.635 77 F HA 0.586 5.138 4.527 0.041 0.000 0.314 77 F C -2.962 172.927 175.800 0.149 0.000 1.119 77 F CA -2.714 55.345 58.000 0.097 0.000 1.000 77 F CB 1.567 40.642 39.000 0.125 0.000 1.278 77 F HN 0.297 nan 8.300 nan 0.000 0.446 78 P HA 0.273 nan 4.420 nan 0.000 0.284 78 P C -1.031 176.397 177.300 0.214 0.000 1.258 78 P CA -0.418 62.755 63.100 0.121 0.000 0.824 78 P CB 2.261 34.017 31.700 0.092 0.000 1.038 79 L N 4.002 125.331 121.223 0.177 0.000 2.369 79 L HA 0.300 4.665 4.340 0.041 0.000 0.279 79 L C 0.628 177.581 176.870 0.137 0.000 1.108 79 L CA 0.598 55.551 54.840 0.189 0.000 0.852 79 L CB -0.747 41.385 42.059 0.121 0.000 1.169 79 L HN 0.537 nan 8.230 nan 0.000 0.452 80 R N 1.841 122.418 120.500 0.129 0.000 2.712 80 R HA 0.384 4.749 4.340 0.041 0.000 0.272 80 R C -0.638 175.715 176.300 0.088 0.000 1.032 80 R CA -0.850 55.316 56.100 0.109 0.000 0.874 80 R CB 0.448 30.807 30.300 0.097 0.000 1.256 80 R HN 0.321 nan 8.270 nan 0.000 0.468 81 D N 0.746 121.191 120.400 0.076 0.000 2.149 81 D HA 0.031 4.695 4.640 0.041 0.000 0.201 81 D C 0.507 176.834 176.300 0.046 0.000 0.972 81 D CA 1.590 55.626 54.000 0.059 0.000 0.835 81 D CB -0.116 40.716 40.800 0.053 0.000 0.966 81 D HN 0.606 nan 8.370 nan 0.000 0.476 82 A N 1.036 123.883 122.820 0.045 0.000 2.451 82 A HA 0.323 4.667 4.320 0.041 0.000 0.266 82 A C -0.044 177.560 177.584 0.034 0.000 1.119 82 A CA -0.122 51.936 52.037 0.035 0.000 0.786 82 A CB 0.467 19.488 19.000 0.035 0.000 1.061 82 A HN -0.034 nan 8.150 nan 0.000 0.503 83 V N 3.690 123.616 119.914 0.019 0.000 2.334 83 V HA 0.233 4.378 4.120 0.041 0.000 0.281 83 V C 0.037 176.128 176.094 -0.004 0.000 1.016 83 V CA -0.508 61.795 62.300 0.005 0.000 0.832 83 V CB 1.201 33.018 31.823 -0.010 0.000 0.999 83 V HN 0.983 nan 8.190 nan 0.000 0.439 84 E N 4.294 124.492 120.200 -0.002 0.000 2.180 84 E HA 0.183 4.557 4.350 0.041 0.000 0.283 84 E C 0.054 176.635 176.600 -0.031 0.000 1.061 84 E CA -0.214 56.182 56.400 -0.007 0.000 0.861 84 E CB 0.519 30.224 29.700 0.008 0.000 1.056 84 E HN 0.497 nan 8.360 nan 0.000 0.407 85 E N 2.975 123.156 120.200 -0.032 0.000 2.417 85 E HA 0.250 4.624 4.350 0.041 0.000 0.261 85 E C 0.918 177.482 176.600 -0.060 0.000 1.000 85 E CA 0.963 57.333 56.400 -0.050 0.000 0.919 85 E CB 0.835 30.512 29.700 -0.039 0.000 0.955 85 E HN 0.812 nan 8.360 nan 0.000 0.455 86 G N 3.479 112.224 108.800 -0.092 0.000 2.175 86 G HA2 -0.210 3.775 3.960 0.041 0.000 0.244 86 G HA3 -0.210 3.775 3.960 0.041 0.000 0.244 86 G C 0.025 174.851 174.900 -0.124 0.000 0.982 86 G CA 0.152 45.190 45.100 -0.103 0.000 0.641 86 G HN 0.495 nan 8.290 nan 0.000 0.527 87 D N -0.929 119.399 120.400 -0.120 0.000 2.384 87 D HA 0.534 5.199 4.640 0.041 0.000 0.250 87 D C 0.132 176.296 176.300 -0.228 0.000 1.029 87 D CA -0.663 53.272 54.000 -0.109 0.000 0.990 87 D CB 0.411 41.200 40.800 -0.019 0.000 1.175 87 D HN 0.211 nan 8.370 nan 0.000 0.532 88 W N 1.122 122.232 121.300 -0.317 0.000 2.469 88 W HA 0.269 4.954 4.660 0.041 0.000 0.321 88 W C 0.732 176.804 176.519 -0.745 0.000 1.415 88 W CA 0.089 57.023 57.345 -0.684 0.000 1.308 88 W CB 0.135 29.068 29.460 -0.879 0.000 1.368 88 W HN 0.135 nan 8.180 nan 0.000 0.546 89 T N 0.578 114.861 114.554 -0.453 0.000 2.883 89 T HA 0.883 5.257 4.350 0.041 0.000 0.301 89 T C -0.958 173.737 174.700 -0.008 0.000 1.158 89 T CA -1.143 60.891 62.100 -0.110 0.000 1.007 89 T CB 1.998 70.830 68.868 -0.060 0.000 1.186 89 T HN 0.598 nan 8.240 nan 0.000 0.499 90 A N 0.979 123.902 122.820 0.172 0.000 2.427 90 A HA 0.833 5.178 4.320 0.041 0.000 0.298 90 A C -0.321 177.295 177.584 0.054 0.000 1.036 90 A CA -0.729 51.328 52.037 0.033 0.000 0.701 90 A CB 1.928 20.917 19.000 -0.018 0.000 1.250 90 A HN 1.088 nan 8.150 nan 0.000 0.412 91 T N 0.745 115.296 114.554 -0.005 0.000 2.883 91 T HA 0.542 4.916 4.350 0.041 0.000 0.301 91 T C -0.989 173.727 174.700 0.026 0.000 1.158 91 T CA -0.272 61.846 62.100 0.030 0.000 1.007 91 T CB 1.345 70.231 68.868 0.029 0.000 1.186 91 T HN 0.767 nan 8.240 nan 0.000 0.499 92 V N 4.344 124.284 119.914 0.043 0.000 2.508 92 V HA 0.237 4.381 4.120 0.041 0.000 0.281 92 V C 1.383 177.509 176.094 0.054 0.000 1.041 92 V CA 0.143 62.471 62.300 0.046 0.000 1.016 92 V CB 1.084 32.950 31.823 0.071 0.000 0.984 92 V HN 0.806 nan 8.190 nan 0.000 0.478 93 V N 0.114 120.059 119.914 0.053 0.000 3.556 93 V HA 0.499 4.644 4.120 0.041 0.000 0.287 93 V C 0.062 176.164 176.094 0.012 0.000 1.422 93 V CA 0.318 62.642 62.300 0.041 0.000 1.038 93 V CB 0.510 32.372 31.823 0.064 0.000 0.850 93 V HN 0.821 nan 8.190 nan 0.000 0.437 94 D N -0.318 120.092 120.400 0.016 0.000 2.706 94 D HA 0.426 5.090 4.640 0.041 0.000 0.225 94 D C -1.348 174.967 176.300 0.025 0.000 1.241 94 D CA -0.119 53.884 54.000 0.005 0.000 0.784 94 D CB 2.103 42.886 40.800 -0.028 0.000 1.521 94 D HN 0.254 nan 8.370 nan 0.000 0.461 95 Q N 2.252 122.071 119.800 0.032 0.000 2.263 95 Q HA 0.385 4.750 4.340 0.041 0.000 0.262 95 Q C -1.347 174.676 176.000 0.038 0.000 0.984 95 Q CA -0.702 55.134 55.803 0.055 0.000 0.813 95 Q CB 1.313 30.108 28.738 0.095 0.000 1.299 95 Q HN 0.401 nan 8.270 nan 0.000 0.428 96 Q N 1.466 121.286 119.800 0.032 0.000 2.814 96 Q HA 0.167 4.532 4.340 0.041 0.000 0.283 96 Q C 0.128 176.151 176.000 0.040 0.000 1.071 96 Q CA -0.597 55.220 55.803 0.024 0.000 0.849 96 Q CB 0.677 29.419 28.738 0.007 0.000 1.437 96 Q HN 0.839 nan 8.270 nan 0.000 0.492 97 D N 0.323 120.745 120.400 0.036 0.000 2.230 97 D HA -0.181 4.484 4.640 0.041 0.000 0.189 97 D C 0.909 177.251 176.300 0.070 0.000 1.006 97 D CA 1.799 55.827 54.000 0.046 0.000 0.853 97 D CB 0.262 41.087 40.800 0.041 0.000 0.959 97 D HN 0.513 nan 8.370 nan 0.000 0.449 98 C N -0.283 119.062 119.300 0.076 0.000 3.183 98 C HA 0.244 4.728 4.460 0.041 0.000 0.285 98 C C 0.827 175.876 174.990 0.097 0.000 1.313 98 C CA -0.036 59.053 59.018 0.119 0.000 1.711 98 C CB -0.476 27.339 27.740 0.126 0.000 2.135 98 C HN 0.450 nan 8.230 nan 0.000 0.651 99 T N -0.718 113.839 114.554 0.005 0.000 2.888 99 T HA 0.706 5.080 4.350 0.041 0.000 0.284 99 T C -1.118 173.576 174.700 -0.009 0.000 1.017 99 T CA -0.426 61.584 62.100 -0.150 0.000 1.022 99 T CB 1.981 70.673 68.868 -0.294 0.000 1.013 99 T HN 0.012 nan 8.240 nan 0.000 0.465 100 L N 2.438 123.645 121.223 -0.026 0.000 2.446 100 L HA 0.580 4.945 4.340 0.041 0.000 0.268 100 L C -0.633 176.232 176.870 -0.008 0.000 0.975 100 L CA -0.222 54.652 54.840 0.057 0.000 0.848 100 L CB 2.038 44.218 42.059 0.202 0.000 1.225 100 L HN 0.876 nan 8.230 nan 0.000 0.410 101 S N 5.902 121.600 115.700 -0.003 0.000 2.475 101 S HA 0.704 5.198 4.470 0.041 0.000 0.281 101 S C -0.363 174.262 174.600 0.040 0.000 1.198 101 S CA -0.531 57.674 58.200 0.008 0.000 1.063 101 S CB 0.713 63.905 63.200 -0.012 0.000 0.972 101 S HN 0.492 nan 8.310 nan 0.000 0.486 102 L N 2.736 123.991 121.223 0.052 0.000 2.334 102 L HA 0.552 4.916 4.340 0.041 0.000 0.273 102 L C -0.020 176.880 176.870 0.050 0.000 1.013 102 L CA -0.694 54.159 54.840 0.021 0.000 0.816 102 L CB 1.648 43.681 42.059 -0.043 0.000 1.278 102 L HN 0.558 nan 8.230 nan 0.000 0.431 103 Q N 2.353 122.149 119.800 -0.007 0.000 2.348 103 Q HA 0.530 4.894 4.340 0.041 0.000 0.265 103 Q C -1.656 174.104 176.000 -0.400 0.000 0.998 103 Q CA -0.726 54.974 55.803 -0.173 0.000 0.831 103 Q CB 1.551 30.320 28.738 0.053 0.000 1.251 103 Q HN 0.437 nan 8.270 nan 0.000 0.456 104 L N 2.917 123.677 121.223 -0.772 0.000 2.317 104 L HA 0.583 4.947 4.340 0.041 0.000 0.281 104 L C -0.286 176.122 176.870 -0.771 0.000 1.024 104 L CA -0.020 54.333 54.840 -0.812 0.000 0.810 104 L CB 2.241 43.606 42.059 -1.155 0.000 1.240 104 L HN 0.624 nan 8.230 nan 0.000 0.427 105 T N 0.148 114.412 114.554 -0.483 0.000 2.908 105 T HA 0.722 5.097 4.350 0.041 0.000 0.290 105 T C -0.208 174.202 174.700 -0.484 0.000 1.034 105 T CA -0.757 61.113 62.100 -0.383 0.000 1.010 105 T CB 1.803 70.496 68.868 -0.292 0.000 1.068 105 T HN 0.671 nan 8.240 nan 0.000 0.481 106 T N -0.208 114.013 114.554 -0.555 0.000 2.940 106 T HA 0.685 5.060 4.350 0.041 0.000 0.288 106 T C -3.034 171.210 174.700 -0.761 0.000 1.033 106 T CA -2.656 58.784 62.100 -1.101 0.000 1.033 106 T CB 1.166 69.403 68.868 -1.052 0.000 1.079 106 T HN 0.169 nan 8.240 nan 0.000 0.496 107 P HA 0.285 nan 4.420 nan 0.000 0.269 107 P C 0.429 177.565 177.300 -0.274 0.000 1.209 107 P CA -0.367 62.479 63.100 -0.423 0.000 0.776 107 P CB 0.272 31.772 31.700 -0.334 0.000 0.876 108 A N 2.885 125.612 122.820 -0.155 0.000 2.216 108 A HA -0.121 4.224 4.320 0.041 0.000 0.214 108 A C 1.059 178.635 177.584 -0.014 0.000 1.160 108 A CA 1.091 53.086 52.037 -0.069 0.000 0.725 108 A CB -1.055 17.920 19.000 -0.042 0.000 0.784 108 A HN 0.680 nan 8.150 nan 0.000 0.472 109 N N -0.653 118.029 118.700 -0.030 0.000 2.291 109 N HA 0.360 5.125 4.740 0.041 0.000 0.244 109 N C 0.079 175.605 175.510 0.027 0.000 1.216 109 N CA 0.349 53.416 53.050 0.028 0.000 0.879 109 N CB -0.484 38.027 38.487 0.040 0.000 1.167 109 N HN 0.203 nan 8.380 nan 0.000 0.515 110 A N 1.384 124.187 122.820 -0.027 0.000 2.445 110 A HA 0.431 4.775 4.320 0.041 0.000 0.242 110 A C -2.258 175.388 177.584 0.102 0.000 1.075 110 A CA -0.805 51.267 52.037 0.058 0.000 0.777 110 A CB -0.320 18.652 19.000 -0.047 0.000 1.013 110 A HN 0.180 nan 8.150 nan 0.000 0.493 111 P HA 0.192 nan 4.420 nan 0.000 0.265 111 P C -0.161 177.220 177.300 0.135 0.000 1.193 111 P CA 0.207 63.383 63.100 0.127 0.000 0.765 111 P CB 0.179 31.956 31.700 0.129 0.000 0.823 112 I N -0.183 120.355 120.570 -0.054 0.000 2.764 112 I HA 0.840 5.034 4.170 0.041 0.000 0.294 112 I C 0.667 176.776 176.117 -0.013 0.000 1.045 112 I CA -0.121 61.128 61.300 -0.084 0.000 1.340 112 I CB 0.702 38.459 38.000 -0.406 0.000 1.436 112 I HN 0.609 nan 8.210 nan 0.000 0.567 113 G N 3.376 112.189 108.800 0.022 0.000 2.359 113 G HA2 0.207 4.191 3.960 0.041 0.000 0.303 113 G HA3 0.207 4.191 3.960 0.041 0.000 0.303 113 G C -1.785 173.088 174.900 -0.044 0.000 1.293 113 G CA -0.785 44.288 45.100 -0.046 0.000 0.964 113 G HN 0.865 nan 8.290 nan 0.000 0.531 114 L N 0.658 121.819 121.223 -0.103 0.000 2.361 114 L HA 0.716 5.081 4.340 0.041 0.000 0.278 114 L C -0.819 175.917 176.870 -0.224 0.000 1.113 114 L CA -0.592 54.197 54.840 -0.085 0.000 0.849 114 L CB -0.312 41.722 42.059 -0.041 0.000 1.155 114 L HN 0.480 nan 8.230 nan 0.000 0.452 115 Y N 4.460 124.551 120.300 -0.349 0.000 2.409 115 Y HA 0.530 5.105 4.550 0.041 0.000 0.339 115 Y C 0.195 175.857 175.900 -0.397 0.000 1.033 115 Y CA -0.576 57.250 58.100 -0.456 0.000 1.094 115 Y CB 1.342 39.266 38.460 -0.894 0.000 1.210 115 Y HN 0.512 nan 8.280 nan 0.000 0.456 116 R N 3.240 123.640 120.500 -0.167 0.000 2.265 116 R HA 0.487 4.852 4.340 0.041 0.000 0.319 116 R C -1.704 174.504 176.300 -0.154 0.000 1.006 116 R CA -0.831 55.021 56.100 -0.414 0.000 0.880 116 R CB 0.601 30.679 30.300 -0.370 0.000 1.077 116 R HN 0.658 nan 8.270 nan 0.000 0.454 117 L N 3.337 124.514 121.223 -0.076 0.000 2.272 117 L HA 0.419 4.783 4.340 0.041 0.000 0.289 117 L C -1.117 175.767 176.870 0.022 0.000 1.032 117 L CA 0.321 55.226 54.840 0.108 0.000 0.810 117 L CB 1.801 44.053 42.059 0.322 0.000 1.205 117 L HN 0.562 nan 8.230 nan 0.000 0.422 118 S N 4.660 120.350 115.700 -0.016 0.000 2.566 118 S HA 0.800 5.294 4.470 0.041 0.000 0.298 118 S C -1.344 173.114 174.600 -0.236 0.000 1.083 118 S CA -0.526 57.597 58.200 -0.129 0.000 0.978 118 S CB 1.879 65.001 63.200 -0.129 0.000 1.073 118 S HN 0.608 nan 8.310 nan 0.000 0.491 119 L N 2.145 123.049 121.223 -0.533 0.000 2.385 119 L HA 0.605 4.969 4.340 0.041 0.000 0.273 119 L C -0.706 175.723 176.870 -0.735 0.000 0.990 119 L CA -0.180 54.212 54.840 -0.746 0.000 0.821 119 L CB 1.745 43.304 42.059 -0.834 0.000 1.279 119 L HN 0.726 nan 8.230 nan 0.000 0.412 120 E N 3.578 123.470 120.200 -0.514 0.000 2.151 120 E HA 0.755 5.130 4.350 0.041 0.000 0.275 120 E C -1.397 175.052 176.600 -0.253 0.000 0.936 120 E CA -0.769 55.448 56.400 -0.305 0.000 0.777 120 E CB 1.533 31.108 29.700 -0.208 0.000 1.108 120 E HN 0.827 nan 8.360 nan 0.000 0.401 121 A N 3.397 126.156 122.820 -0.102 0.000 2.318 121 A HA 0.517 4.862 4.320 0.041 0.000 0.317 121 A C -0.834 176.747 177.584 -0.005 0.000 1.159 121 A CA -0.587 51.430 52.037 -0.033 0.000 0.799 121 A CB 1.803 20.852 19.000 0.081 0.000 1.194 121 A HN 0.410 nan 8.150 nan 0.000 0.479 122 S N 1.194 116.882 115.700 -0.020 0.000 2.561 122 S HA 0.680 5.174 4.470 0.041 0.000 0.303 122 S C -0.669 173.912 174.600 -0.031 0.000 1.110 122 S CA -0.278 57.911 58.200 -0.018 0.000 1.034 122 S CB 0.929 64.112 63.200 -0.028 0.000 1.010 122 S HN 0.691 nan 8.310 nan 0.000 0.482 123 T N 4.109 118.644 114.554 -0.032 0.000 2.842 123 T HA 0.620 4.994 4.350 0.041 0.000 0.308 123 T C 0.955 175.611 174.700 -0.073 0.000 1.041 123 T CA 0.217 62.282 62.100 -0.059 0.000 0.964 123 T CB 0.706 69.544 68.868 -0.050 0.000 0.972 123 T HN 1.170 nan 8.240 nan 0.000 0.460 124 G N 2.968 111.687 108.800 -0.136 0.000 2.602 124 G HA2 -0.342 3.643 3.960 0.041 0.000 0.310 124 G HA3 -0.342 3.643 3.960 0.041 0.000 0.310 124 G C 0.170 174.931 174.900 -0.231 0.000 1.183 124 G CA 0.403 45.342 45.100 -0.267 0.000 0.979 124 G HN 0.698 nan 8.290 nan 0.000 0.545 125 Y N 3.280 123.572 120.300 -0.014 0.000 2.537 125 Y HA 0.465 5.039 4.550 0.041 0.000 0.303 125 Y C 1.210 177.106 175.900 -0.007 0.000 1.176 125 Y CA 0.796 58.890 58.100 -0.010 0.000 1.273 125 Y CB 0.289 38.744 38.460 -0.009 0.000 1.110 125 Y HN 0.267 nan 8.280 nan 0.000 0.518 126 Q N -0.476 119.384 119.800 0.100 0.000 2.435 126 Q HA 0.688 5.053 4.340 0.041 0.000 0.282 126 Q C -0.455 175.567 176.000 0.037 0.000 1.020 126 Q CA -0.572 55.272 55.803 0.068 0.000 0.820 126 Q CB 2.563 31.339 28.738 0.063 0.000 1.436 126 Q HN 0.316 nan 8.270 nan 0.000 0.395 127 G N 0.093 108.914 108.800 0.036 0.000 2.660 127 G HA2 0.714 4.698 3.960 0.041 0.000 0.294 127 G HA3 0.714 4.698 3.960 0.041 0.000 0.294 127 G C -1.312 173.615 174.900 0.045 0.000 1.369 127 G CA -0.584 44.533 45.100 0.028 0.000 0.912 127 G HN 0.607 nan 8.290 nan 0.000 0.479 128 S N -1.056 114.682 115.700 0.063 0.000 2.566 128 S HA 0.780 5.275 4.470 0.041 0.000 0.273 128 S C -0.993 173.699 174.600 0.153 0.000 1.157 128 S CA -0.646 57.624 58.200 0.118 0.000 0.938 128 S CB 1.819 65.109 63.200 0.150 0.000 1.087 128 S HN 1.170 nan 8.310 nan 0.000 0.474 129 S N 2.291 118.087 115.700 0.159 0.000 2.526 129 S HA 0.963 5.458 4.470 0.041 0.000 0.293 129 S C -1.154 173.561 174.600 0.192 0.000 1.092 129 S CA -0.743 57.486 58.200 0.048 0.000 0.980 129 S CB 0.499 63.682 63.200 -0.027 0.000 1.048 129 S HN 1.404 nan 8.310 nan 0.000 0.483 130 F N 0.790 120.724 119.950 -0.027 0.000 2.807 130 F HA 0.593 5.144 4.527 0.041 0.000 0.316 130 F C -1.720 174.076 175.800 -0.006 0.000 1.162 130 F CA -1.333 56.662 58.000 -0.010 0.000 0.910 130 F CB 0.496 39.498 39.000 0.003 0.000 1.314 130 F HN 0.216 nan 8.300 nan 0.000 0.454 131 V N 3.355 123.413 119.914 0.240 0.000 2.427 131 V HA 0.164 4.309 4.120 0.041 0.000 0.268 131 V C 0.916 177.139 176.094 0.215 0.000 1.046 131 V CA -0.171 62.201 62.300 0.121 0.000 0.970 131 V CB 0.700 32.586 31.823 0.106 0.000 1.001 131 V HN 0.861 nan 8.190 nan 0.000 0.476 132 L N 3.800 125.088 121.223 0.109 0.000 2.095 132 L HA 0.328 4.693 4.340 0.041 0.000 0.204 132 L C 1.291 178.262 176.870 0.169 0.000 1.080 132 L CA 1.484 56.427 54.840 0.172 0.000 0.759 132 L CB -0.057 42.091 42.059 0.148 0.000 0.914 132 L HN 0.898 nan 8.230 nan 0.000 0.439 133 G N -2.713 106.164 108.800 0.128 0.000 2.399 133 G HA2 0.196 4.180 3.960 0.041 0.000 0.256 133 G HA3 0.196 4.180 3.960 0.041 0.000 0.256 133 G C -1.509 173.426 174.900 0.060 0.000 1.236 133 G CA -0.722 44.483 45.100 0.175 0.000 0.914 133 G HN 0.024 nan 8.290 nan 0.000 0.482 134 H N -1.008 118.166 119.070 0.173 0.000 2.928 134 H HA 0.686 5.267 4.556 0.041 0.000 0.371 134 H C -1.196 174.281 175.328 0.249 0.000 1.186 134 H CA -0.164 55.965 56.048 0.136 0.000 1.134 134 H CB 2.441 32.235 29.762 0.053 0.000 1.824 134 H HN 0.697 nan 8.280 nan 0.000 0.554 135 F N -0.675 119.392 119.950 0.196 0.000 2.645 135 F HA 0.621 5.172 4.527 0.041 0.000 0.310 135 F C -1.617 174.248 175.800 0.109 0.000 1.102 135 F CA -1.131 56.910 58.000 0.068 0.000 0.952 135 F CB 1.156 40.099 39.000 -0.096 0.000 1.326 135 F HN 0.212 nan 8.300 nan 0.000 0.456 136 I N 3.083 123.765 120.570 0.186 0.000 2.377 136 I HA 0.407 4.602 4.170 0.041 0.000 0.293 136 I C -1.232 174.992 176.117 0.177 0.000 0.987 136 I CA -0.961 60.413 61.300 0.123 0.000 1.185 136 I CB 1.817 39.861 38.000 0.074 0.000 1.341 136 I HN 0.533 nan 8.210 nan 0.000 0.455 137 L N 8.001 129.352 121.223 0.213 0.000 2.296 137 L HA 0.616 4.981 4.340 0.041 0.000 0.286 137 L C -0.866 176.044 176.870 0.067 0.000 1.023 137 L CA -0.050 54.895 54.840 0.175 0.000 0.812 137 L CB 1.078 43.310 42.059 0.289 0.000 1.223 137 L HN 0.458 nan 8.230 nan 0.000 0.421 138 L N 3.225 124.468 121.223 0.033 0.000 2.256 138 L HA 0.548 4.913 4.340 0.041 0.000 0.261 138 L C -0.629 176.246 176.870 0.009 0.000 1.022 138 L CA -0.951 53.900 54.840 0.017 0.000 0.828 138 L CB 1.448 43.590 42.059 0.139 0.000 1.374 138 L HN 0.327 nan 8.230 nan 0.000 0.436 139 F N 0.541 120.589 119.950 0.164 0.000 2.496 139 F HA 0.134 4.686 4.527 0.041 0.000 0.344 139 F C 0.715 176.643 175.800 0.213 0.000 1.155 139 F CA 0.145 58.243 58.000 0.163 0.000 1.302 139 F CB 0.204 39.292 39.000 0.146 0.000 1.159 139 F HN 0.327 nan 8.300 nan 0.000 0.595 140 N N 1.234 120.181 118.700 0.412 0.000 2.623 140 N HA 0.356 5.121 4.740 0.041 0.000 0.256 140 N C 0.134 175.869 175.510 0.376 0.000 1.045 140 N CA -0.178 53.118 53.050 0.408 0.000 0.863 140 N CB 1.433 40.098 38.487 0.297 0.000 1.182 140 N HN 0.634 nan 8.380 nan 0.000 0.523 141 A N 2.880 125.878 122.820 0.296 0.000 2.209 141 A HA 0.010 4.355 4.320 0.041 0.000 0.212 141 A C 1.223 178.738 177.584 -0.115 0.000 1.158 141 A CA 0.396 52.410 52.037 -0.040 0.000 0.742 141 A CB -0.344 18.423 19.000 -0.389 0.000 0.790 141 A HN 0.751 nan 8.150 nan 0.000 0.472 142 W N -1.751 119.624 121.300 0.124 0.000 3.077 142 W HA 0.158 4.843 4.660 0.041 0.000 0.266 142 W C 0.592 177.279 176.519 0.279 0.000 1.300 142 W CA -0.516 56.924 57.345 0.158 0.000 1.586 142 W CB -0.308 29.190 29.460 0.063 0.000 1.103 142 W HN 0.275 nan 8.180 nan 0.000 0.652 143 C N 3.197 122.754 119.300 0.428 0.000 2.303 143 C HA 0.232 4.717 4.460 0.041 0.000 0.341 143 C C -0.679 174.272 174.990 -0.065 0.000 1.244 143 C CA -1.927 57.197 59.018 0.177 0.000 1.765 143 C CB 0.326 28.143 27.740 0.128 0.000 2.379 143 C HN -0.075 nan 8.230 nan 0.000 0.530 144 P HA -0.104 nan 4.420 nan 0.000 0.218 144 P C 1.112 178.147 177.300 -0.443 0.000 1.146 144 P CA 1.874 64.377 63.100 -0.995 0.000 0.813 144 P CB 0.153 31.455 31.700 -0.662 0.000 0.778 145 A N -1.708 120.995 122.820 -0.195 0.000 2.238 145 A HA -0.001 4.344 4.320 0.041 0.000 0.210 145 A C 1.095 178.670 177.584 -0.015 0.000 1.179 145 A CA 0.146 52.127 52.037 -0.093 0.000 0.827 145 A CB -0.619 18.336 19.000 -0.075 0.000 0.856 145 A HN 0.060 nan 8.150 nan 0.000 0.488 146 D N -0.005 120.418 120.400 0.037 0.000 2.350 146 D HA 0.428 5.093 4.640 0.041 0.000 0.249 146 D C 1.348 177.732 176.300 0.140 0.000 1.119 146 D CA 0.564 54.638 54.000 0.122 0.000 0.886 146 D CB 1.567 42.483 40.800 0.192 0.000 1.195 146 D HN 0.087 nan 8.370 nan 0.000 0.437 147 A N 3.180 126.075 122.820 0.125 0.000 1.986 147 A HA -0.179 4.166 4.320 0.041 0.000 0.220 147 A C 1.957 179.574 177.584 0.054 0.000 1.171 147 A CA 1.991 54.071 52.037 0.072 0.000 0.640 147 A CB -0.601 18.434 19.000 0.059 0.000 0.811 147 A HN 0.612 nan 8.150 nan 0.000 0.451 148 V N -3.958 116.020 119.914 0.107 0.000 3.646 148 V HA 0.192 4.337 4.120 0.041 0.000 0.277 148 V C 0.838 177.069 176.094 0.229 0.000 1.274 148 V CA -0.341 62.024 62.300 0.108 0.000 1.164 148 V CB -1.799 30.038 31.823 0.023 0.000 0.926 148 V HN 0.402 nan 8.190 nan 0.000 0.442 149 Y N 1.510 121.876 120.300 0.111 0.000 2.712 149 Y HA 0.404 4.979 4.550 0.041 0.000 0.333 149 Y C -0.094 175.884 175.900 0.130 0.000 1.225 149 Y CA -0.360 57.785 58.100 0.075 0.000 1.499 149 Y CB 0.387 38.886 38.460 0.066 0.000 1.288 149 Y HN 0.280 nan 8.280 nan 0.000 0.575 150 L N 6.395 127.203 121.223 -0.691 0.000 2.356 150 L HA 0.227 4.591 4.340 0.041 0.000 0.277 150 L C 0.174 176.330 176.870 -1.189 0.000 0.996 150 L CA -0.723 53.602 54.840 -0.858 0.000 0.822 150 L CB 1.587 43.163 42.059 -0.805 0.000 1.256 150 L HN 0.807 nan 8.230 nan 0.000 0.413 151 D N 0.020 119.891 120.400 -0.881 0.000 2.363 151 D HA -0.065 4.600 4.640 0.041 0.000 0.226 151 D C 0.512 176.594 176.300 -0.363 0.000 1.020 151 D CA 0.186 53.821 54.000 -0.609 0.000 0.892 151 D CB 0.380 41.074 40.800 -0.176 0.000 0.900 151 D HN 0.176 nan 8.370 nan 0.000 0.531 152 S N -0.534 114.916 115.700 -0.417 0.000 2.552 152 S HA 0.309 4.803 4.470 0.041 0.000 0.314 152 S C 0.620 175.040 174.600 -0.300 0.000 1.099 152 S CA -0.700 57.331 58.200 -0.281 0.000 1.070 152 S CB 1.622 64.667 63.200 -0.258 0.000 0.998 152 S HN -0.036 nan 8.310 nan 0.000 0.474 153 E N 3.806 123.893 120.200 -0.188 0.000 2.077 153 E HA -0.199 4.176 4.350 0.041 0.000 0.193 153 E C 1.738 178.250 176.600 -0.147 0.000 0.989 153 E CA 2.358 58.672 56.400 -0.143 0.000 0.800 153 E CB -0.155 29.543 29.700 -0.004 0.000 0.746 153 E HN 0.918 nan 8.360 nan 0.000 0.452 154 E N 0.151 120.271 120.200 -0.134 0.000 2.153 154 E HA -0.227 4.148 4.350 0.041 0.000 0.194 154 E C 1.861 178.317 176.600 -0.240 0.000 0.988 154 E CA 1.399 57.717 56.400 -0.137 0.000 0.811 154 E CB -0.314 29.323 29.700 -0.105 0.000 0.746 154 E HN 0.381 nan 8.360 nan 0.000 0.466 155 E N 0.726 120.746 120.200 -0.300 0.000 2.112 155 E HA -0.061 4.314 4.350 0.041 0.000 0.190 155 E C 2.265 178.627 176.600 -0.396 0.000 0.979 155 E CA 0.464 56.605 56.400 -0.430 0.000 0.814 155 E CB 0.003 29.530 29.700 -0.287 0.000 0.762 155 E HN 0.273 nan 8.360 nan 0.000 0.460 156 R N 0.703 120.960 120.500 -0.405 0.000 2.081 156 R HA -0.113 4.251 4.340 0.041 0.000 0.235 156 R C 2.394 178.557 176.300 -0.230 0.000 1.131 156 R CA 0.952 56.751 56.100 -0.502 0.000 0.960 156 R CB -0.128 29.570 30.300 -1.002 0.000 0.856 156 R HN 0.160 nan 8.270 nan 0.000 0.436 157 Q N 0.646 120.371 119.800 -0.126 0.000 2.050 157 Q HA -0.208 4.156 4.340 0.041 0.000 0.202 157 Q C 1.994 177.967 176.000 -0.044 0.000 0.980 157 Q CA 1.502 57.308 55.803 0.006 0.000 0.840 157 Q CB -0.164 28.581 28.738 0.012 0.000 0.898 157 Q HN 0.271 nan 8.270 nan 0.000 0.424 158 E N 0.032 120.104 120.200 -0.213 0.000 2.031 158 E HA -0.158 4.217 4.350 0.041 0.000 0.193 158 E C 1.387 177.902 176.600 -0.141 0.000 0.994 158 E CA 1.333 57.562 56.400 -0.285 0.000 0.800 158 E CB -0.162 29.126 29.700 -0.686 0.000 0.752 158 E HN 0.355 nan 8.360 nan 0.000 0.447 159 Y N -1.133 119.155 120.300 -0.019 0.000 2.482 159 Y HA 0.193 4.768 4.550 0.041 0.000 0.270 159 Y C 1.717 177.606 175.900 -0.018 0.000 1.152 159 Y CA 0.074 58.168 58.100 -0.010 0.000 1.292 159 Y CB 0.415 38.904 38.460 0.048 0.000 1.070 159 Y HN -0.032 nan 8.280 nan 0.000 0.528 160 V N -1.635 118.357 119.914 0.130 0.000 2.996 160 V HA 0.002 4.147 4.120 0.041 0.000 0.235 160 V C 1.746 177.997 176.094 0.262 0.000 1.205 160 V CA 0.584 62.997 62.300 0.189 0.000 1.225 160 V CB 0.007 31.957 31.823 0.212 0.000 0.995 160 V HN 0.135 nan 8.190 nan 0.000 0.484 161 L N -0.202 121.199 121.223 0.297 0.000 2.354 161 L HA 0.142 4.506 4.340 0.041 0.000 0.212 161 L C 0.844 177.872 176.870 0.263 0.000 1.091 161 L CA 0.627 55.726 54.840 0.431 0.000 0.828 161 L CB -0.137 42.169 42.059 0.411 0.000 0.973 161 L HN 0.277 nan 8.230 nan 0.000 0.461 162 T N 0.876 115.512 114.554 0.136 0.000 2.814 162 T HA 0.058 4.433 4.350 0.041 0.000 0.297 162 T C 0.905 175.658 174.700 0.088 0.000 0.956 162 T CA 0.022 62.183 62.100 0.102 0.000 1.123 162 T CB 1.229 70.138 68.868 0.069 0.000 0.902 162 T HN 0.212 nan 8.240 nan 0.000 0.528 163 Q N 1.516 121.368 119.800 0.085 0.000 2.319 163 Q HA 0.117 4.482 4.340 0.041 0.000 0.202 163 Q C 0.038 176.134 176.000 0.160 0.000 0.896 163 Q CA 0.329 56.179 55.803 0.079 0.000 0.942 163 Q CB 0.512 29.260 28.738 0.016 0.000 1.083 163 Q HN 0.595 nan 8.270 nan 0.000 0.510 164 Q N -1.247 118.627 119.800 0.124 0.000 2.451 164 Q HA 0.716 5.080 4.340 0.041 0.000 0.281 164 Q C -0.478 175.530 176.000 0.013 0.000 1.099 164 Q CA -0.391 55.401 55.803 -0.017 0.000 0.806 164 Q CB 2.494 31.153 28.738 -0.133 0.000 1.419 164 Q HN 0.145 nan 8.270 nan 0.000 0.427 165 G N -0.166 108.526 108.800 -0.181 0.000 2.578 165 G HA2 0.663 4.648 3.960 0.041 0.000 0.302 165 G HA3 0.663 4.648 3.960 0.041 0.000 0.302 165 G C -1.861 172.720 174.900 -0.531 0.000 1.243 165 G CA -0.583 44.418 45.100 -0.165 0.000 0.843 165 G HN 0.323 nan 8.290 nan 0.000 0.486 166 F N -0.146 119.807 119.950 0.005 0.000 2.551 166 F HA 0.684 5.236 4.527 0.041 0.000 0.316 166 F C -0.001 175.579 175.800 -0.365 0.000 1.089 166 F CA -0.669 57.179 58.000 -0.252 0.000 0.915 166 F CB 2.587 41.328 39.000 -0.431 0.000 1.186 166 F HN 0.110 nan 8.300 nan 0.000 0.456 167 I N 3.287 123.715 120.570 -0.236 0.000 2.389 167 I HA 0.283 4.478 4.170 0.041 0.000 0.288 167 I C -1.114 174.715 176.117 -0.480 0.000 0.999 167 I CA -0.787 60.334 61.300 -0.299 0.000 1.129 167 I CB 1.289 39.152 38.000 -0.229 0.000 1.288 167 I HN 0.476 nan 8.210 nan 0.000 0.444 168 Y N 5.664 125.872 120.300 -0.153 0.000 2.316 168 Y HA 0.395 4.970 4.550 0.040 0.000 0.331 168 Y C 0.537 176.163 175.900 -0.456 0.000 1.083 168 Y CA -0.075 57.907 58.100 -0.196 0.000 1.206 168 Y CB 0.884 39.295 38.460 -0.082 0.000 1.195 168 Y HN 0.548 nan 8.280 nan 0.000 0.497 169 Q N 0.824 120.381 119.800 -0.406 0.000 3.232 169 Q HA 0.686 5.051 4.340 0.041 0.000 0.348 169 Q C 0.336 176.107 176.000 -0.382 0.000 0.877 169 Q CA -0.609 54.596 55.803 -0.996 0.000 0.835 169 Q CB 1.935 30.063 28.738 -1.017 0.000 1.450 169 Q HN 0.807 nan 8.270 nan 0.000 0.471 170 G N 0.986 109.602 108.800 -0.308 0.000 2.527 170 G HA2 -0.255 3.730 3.960 0.041 0.000 0.262 170 G HA3 -0.255 3.730 3.960 0.041 0.000 0.262 170 G C -0.309 174.721 174.900 0.217 0.000 1.153 170 G CA 0.015 45.125 45.100 0.018 0.000 0.954 170 G HN 1.200 nan 8.290 nan 0.000 0.552 171 S N -1.050 114.711 115.700 0.101 0.000 2.661 171 S HA 0.844 5.339 4.470 0.041 0.000 0.285 171 S C 1.193 175.507 174.600 -0.477 0.000 1.138 171 S CA 0.555 58.786 58.200 0.051 0.000 0.855 171 S CB 1.433 64.710 63.200 0.128 0.000 1.136 171 S HN 2.346 nan 8.310 nan 0.000 0.484 172 A N 0.950 123.504 122.820 -0.443 0.000 1.978 172 A HA -0.034 4.311 4.320 0.041 0.000 0.220 172 A C 1.927 179.261 177.584 -0.417 0.000 1.170 172 A CA 1.253 52.948 52.037 -0.570 0.000 0.636 172 A CB -0.622 18.268 19.000 -0.183 0.000 0.810 172 A HN 0.661 nan 8.150 nan 0.000 0.448 173 K N -1.763 118.452 120.400 -0.309 0.000 2.262 173 K HA 0.164 4.508 4.320 0.041 0.000 0.200 173 K C -0.622 175.564 176.600 -0.690 0.000 1.049 173 K CA 0.507 56.523 56.287 -0.452 0.000 0.979 173 K CB 0.070 32.318 32.500 -0.421 0.000 0.773 173 K HN 0.506 nan 8.250 nan 0.000 0.474 174 F N 1.178 121.032 119.950 -0.160 0.000 2.550 174 F HA 0.373 4.921 4.527 0.036 0.000 0.348 174 F C 0.015 175.716 175.800 -0.165 0.000 1.219 174 F CA -0.689 57.233 58.000 -0.129 0.000 1.203 174 F CB 0.538 39.491 39.000 -0.077 0.000 1.436 174 F HN -0.263 nan 8.300 nan 0.000 0.541 175 I N 2.883 123.390 120.570 -0.105 0.000 2.533 175 I HA 0.060 4.254 4.170 0.041 0.000 0.284 175 I C 0.228 176.346 176.117 0.001 0.000 1.109 175 I CA 0.186 61.416 61.300 -0.116 0.000 1.412 175 I CB 0.619 38.505 38.000 -0.190 0.000 1.396 175 I HN 0.357 nan 8.210 nan 0.000 0.543 176 K N 5.952 126.353 120.400 0.001 0.000 2.185 176 K HA 0.336 4.681 4.320 0.041 0.000 0.269 176 K C -0.735 175.842 176.600 -0.039 0.000 0.987 176 K CA -0.561 55.705 56.287 -0.035 0.000 0.865 176 K CB 0.922 33.360 32.500 -0.102 0.000 1.090 176 K HN 0.537 nan 8.250 nan 0.000 0.450 177 N N 3.505 122.158 118.700 -0.078 0.000 2.501 177 N HA 0.260 5.024 4.740 0.041 0.000 0.245 177 N C -1.175 174.269 175.510 -0.109 0.000 0.974 177 N CA -0.620 52.288 53.050 -0.236 0.000 0.941 177 N CB 0.816 39.080 38.487 -0.371 0.000 1.122 177 N HN 0.153 nan 8.380 nan 0.000 0.507 178 I N 3.519 124.022 120.570 -0.110 0.000 2.321 178 I HA 0.293 4.488 4.170 0.041 0.000 0.291 178 I C -1.956 174.242 176.117 0.134 0.000 0.998 178 I CA -3.010 58.292 61.300 0.003 0.000 1.227 178 I CB 0.823 38.781 38.000 -0.071 0.000 1.368 178 I HN 0.440 nan 8.210 nan 0.000 0.466 179 P HA 0.047 nan 4.420 nan 0.000 0.272 179 P C -0.998 176.288 177.300 -0.024 0.000 1.223 179 P CA -0.377 62.698 63.100 -0.042 0.000 0.784 179 P CB 1.001 32.664 31.700 -0.061 0.000 0.923 180 W N 2.864 123.901 121.300 -0.437 0.000 3.274 180 W HA 0.211 4.896 4.660 0.041 0.000 0.327 180 W C -1.357 174.785 176.519 -0.628 0.000 1.172 180 W CA -0.539 56.502 57.345 -0.507 0.000 1.217 180 W CB 2.047 31.094 29.460 -0.688 0.000 1.376 180 W HN 0.278 nan 8.180 nan 0.000 0.507 181 N N 3.975 122.222 118.700 -0.755 0.000 2.521 181 N HA 0.177 4.942 4.740 0.041 0.000 0.236 181 N C 0.518 175.826 175.510 -0.338 0.000 1.067 181 N CA -0.071 52.704 53.050 -0.458 0.000 0.939 181 N CB 0.081 38.353 38.487 -0.359 0.000 1.201 181 N HN 0.180 nan 8.380 nan 0.000 0.511 182 F N 2.219 122.254 119.950 0.142 0.000 2.134 182 F HA 0.118 4.669 4.527 0.040 0.000 0.299 182 F C 2.221 178.023 175.800 0.003 0.000 1.097 182 F CA 1.266 59.360 58.000 0.156 0.000 1.264 182 F CB -0.735 38.314 39.000 0.081 0.000 1.001 182 F HN 0.624 nan 8.300 nan 0.000 0.479 183 G N 0.427 109.288 108.800 0.103 0.000 2.198 183 G HA2 -0.343 3.642 3.960 0.041 0.000 0.260 183 G HA3 -0.343 3.642 3.960 0.041 0.000 0.260 183 G C 1.235 176.119 174.900 -0.028 0.000 1.025 183 G CA 0.674 45.781 45.100 0.011 0.000 0.769 183 G HN 0.477 nan 8.290 nan 0.000 0.507 184 Q N -0.822 118.889 119.800 -0.148 0.000 2.297 184 Q HA -0.060 4.305 4.340 0.041 0.000 0.208 184 Q C 1.462 177.383 176.000 -0.132 0.000 0.981 184 Q CA 1.577 57.243 55.803 -0.228 0.000 0.876 184 Q CB -0.301 28.191 28.738 -0.410 0.000 0.921 184 Q HN 0.676 nan 8.270 nan 0.000 0.446 185 F N 1.397 121.402 119.950 0.092 0.000 2.639 185 F HA 0.381 4.933 4.527 0.042 0.000 0.302 185 F C 0.762 176.596 175.800 0.058 0.000 1.097 185 F CA -0.954 57.091 58.000 0.075 0.000 1.294 185 F CB -0.090 38.956 39.000 0.078 0.000 1.027 185 F HN -0.053 nan 8.300 nan 0.000 0.550 186 Q N 0.550 120.450 119.800 0.167 0.000 2.454 186 Q HA 0.007 4.372 4.340 0.041 0.000 0.247 186 Q C -0.218 175.843 176.000 0.102 0.000 1.028 186 Q CA -0.223 55.646 55.803 0.111 0.000 0.910 186 Q CB 0.604 29.379 28.738 0.061 0.000 1.276 186 Q HN 0.048 nan 8.270 nan 0.000 0.489 187 D N -0.610 119.835 120.400 0.075 0.000 2.487 187 D HA 0.127 4.791 4.640 0.041 0.000 0.243 187 D C 0.858 177.190 176.300 0.054 0.000 1.154 187 D CA 1.880 55.917 54.000 0.060 0.000 0.876 187 D CB 0.135 40.959 40.800 0.042 0.000 1.161 187 D HN 0.684 nan 8.370 nan 0.000 0.478 188 G N 3.723 112.556 108.800 0.055 0.000 2.258 188 G HA2 -0.274 3.710 3.960 0.041 0.000 0.233 188 G HA3 -0.274 3.710 3.960 0.041 0.000 0.233 188 G C 1.169 176.108 174.900 0.065 0.000 1.006 188 G CA 0.228 45.357 45.100 0.049 0.000 0.620 188 G HN 0.494 nan 8.290 nan 0.000 0.511 189 I N 0.649 121.266 120.570 0.079 0.000 2.252 189 I HA 0.006 4.201 4.170 0.041 0.000 0.245 189 I C 2.717 178.890 176.117 0.093 0.000 1.102 189 I CA 1.760 63.110 61.300 0.084 0.000 1.385 189 I CB -1.125 36.924 38.000 0.082 0.000 1.064 189 I HN 0.342 nan 8.210 nan 0.000 0.414 190 L N 1.343 122.632 121.223 0.111 0.000 2.012 190 L HA -0.227 4.138 4.340 0.041 0.000 0.210 190 L C 2.054 178.972 176.870 0.080 0.000 1.073 190 L CA 2.011 56.917 54.840 0.110 0.000 0.748 190 L CB -0.952 41.181 42.059 0.124 0.000 0.891 190 L HN 0.176 nan 8.230 nan 0.000 0.431 191 D N -0.222 120.218 120.400 0.066 0.000 2.123 191 D HA -0.202 4.463 4.640 0.041 0.000 0.196 191 D C 2.340 178.680 176.300 0.066 0.000 0.992 191 D CA 1.951 55.979 54.000 0.047 0.000 0.833 191 D CB -0.185 40.633 40.800 0.030 0.000 0.954 191 D HN 0.464 nan 8.370 nan 0.000 0.455 192 I N 0.494 121.120 120.570 0.094 0.000 2.264 192 I HA -0.287 3.908 4.170 0.041 0.000 0.248 192 I C 2.430 178.647 176.117 0.167 0.000 1.111 192 I CA 0.653 62.053 61.300 0.166 0.000 1.382 192 I CB -0.140 37.977 38.000 0.195 0.000 1.060 192 I HN 0.073 nan 8.210 nan 0.000 0.418 193 C N 0.462 119.817 119.300 0.093 0.000 2.440 193 C HA -0.096 4.389 4.460 0.041 0.000 0.278 193 C C 2.693 177.712 174.990 0.048 0.000 1.295 193 C CA 0.499 59.548 59.018 0.052 0.000 1.738 193 C CB -0.907 26.865 27.740 0.054 0.000 1.987 193 C HN 0.454 nan 8.230 nan 0.000 0.492 194 L N 0.203 121.454 121.223 0.048 0.000 2.093 194 L HA -0.104 4.260 4.340 0.041 0.000 0.208 194 L C 2.396 179.261 176.870 -0.008 0.000 1.085 194 L CA 1.374 56.222 54.840 0.013 0.000 0.755 194 L CB -0.532 41.529 42.059 0.003 0.000 0.904 194 L HN 0.337 nan 8.230 nan 0.000 0.435 195 I N 0.025 120.618 120.570 0.039 0.000 2.163 195 I HA -0.353 3.841 4.170 0.041 0.000 0.243 195 I C 2.581 178.773 176.117 0.125 0.000 1.085 195 I CA 1.409 62.741 61.300 0.053 0.000 1.347 195 I CB -0.206 37.852 38.000 0.097 0.000 1.044 195 I HN 0.259 nan 8.210 nan 0.000 0.408 196 L N 0.719 122.070 121.223 0.213 0.000 2.043 196 L HA -0.256 4.109 4.340 0.041 0.000 0.212 196 L C 2.468 179.366 176.870 0.046 0.000 1.075 196 L CA 1.696 56.638 54.840 0.171 0.000 0.752 196 L CB -0.184 41.828 42.059 -0.077 0.000 0.891 196 L HN 0.211 nan 8.230 nan 0.000 0.432 197 L N -0.414 120.802 121.223 -0.011 0.000 2.083 197 L HA -0.202 4.163 4.340 0.041 0.000 0.209 197 L C 1.870 178.631 176.870 -0.181 0.000 1.083 197 L CA 1.093 55.909 54.840 -0.039 0.000 0.752 197 L CB -0.716 41.340 42.059 -0.005 0.000 0.899 197 L HN 0.297 nan 8.230 nan 0.000 0.433 198 D N -0.471 119.711 120.400 -0.362 0.000 2.355 198 D HA -0.047 4.617 4.640 0.041 0.000 0.218 198 D C 1.749 177.702 176.300 -0.579 0.000 1.004 198 D CA 0.824 54.256 54.000 -0.946 0.000 0.880 198 D CB 0.423 40.771 40.800 -0.753 0.000 0.911 198 D HN 0.327 nan 8.370 nan 0.000 0.528 199 V N -0.945 118.887 119.914 -0.136 0.000 3.483 199 V HA 0.176 4.321 4.120 0.041 0.000 0.301 199 V C 0.284 176.459 176.094 0.135 0.000 1.389 199 V CA -0.694 61.636 62.300 0.052 0.000 1.101 199 V CB -0.966 30.922 31.823 0.109 0.000 0.971 199 V HN -0.063 nan 8.190 nan 0.000 0.434 200 N N 1.498 120.279 118.700 0.135 0.000 2.518 200 N HA 0.296 5.061 4.740 0.041 0.000 0.266 200 N C -1.099 174.543 175.510 0.221 0.000 1.196 200 N CA -1.052 52.117 53.050 0.199 0.000 0.947 200 N CB 0.920 39.532 38.487 0.207 0.000 1.098 200 N HN 0.040 nan 8.380 nan 0.000 0.450 201 P HA -0.211 nan 4.420 nan 0.000 0.217 201 P C 0.387 177.751 177.300 0.107 0.000 1.148 201 P CA 1.680 64.832 63.100 0.088 0.000 0.828 201 P CB 0.140 31.821 31.700 -0.032 0.000 0.783 202 K N -1.520 118.966 120.400 0.143 0.000 2.148 202 K HA -0.116 4.228 4.320 0.041 0.000 0.204 202 K C 2.070 178.808 176.600 0.230 0.000 1.050 202 K CA 0.964 57.360 56.287 0.182 0.000 0.942 202 K CB -0.560 32.096 32.500 0.260 0.000 0.724 202 K HN 0.120 nan 8.250 nan 0.000 0.446 203 F N 1.768 121.794 119.950 0.126 0.000 2.206 203 F HA -0.086 4.466 4.527 0.041 0.000 0.298 203 F C 1.674 177.514 175.800 0.068 0.000 1.090 203 F CA 1.067 59.128 58.000 0.101 0.000 1.323 203 F CB 0.027 39.089 39.000 0.102 0.000 1.028 203 F HN -0.138 nan 8.300 nan 0.000 0.492 204 L N 0.219 121.579 121.223 0.229 0.000 2.093 204 L HA -0.185 4.179 4.340 0.041 0.000 0.208 204 L C 2.420 179.295 176.870 0.008 0.000 1.085 204 L CA 1.701 56.602 54.840 0.101 0.000 0.755 204 L CB -0.956 41.178 42.059 0.124 0.000 0.904 204 L HN 0.142 nan 8.230 nan 0.000 0.435 205 K N 0.974 121.389 120.400 0.024 0.000 2.103 205 K HA -0.122 4.223 4.320 0.041 0.000 0.204 205 K C 0.560 177.143 176.600 -0.029 0.000 1.052 205 K CA 1.255 57.545 56.287 0.004 0.000 0.945 205 K CB 0.211 32.725 32.500 0.024 0.000 0.722 205 K HN 0.281 nan 8.250 nan 0.000 0.443 206 N N -1.125 117.543 118.700 -0.053 0.000 2.969 206 N HA 0.183 4.948 4.740 0.041 0.000 0.230 206 N C -0.380 175.025 175.510 -0.175 0.000 1.397 206 N CA 0.009 53.005 53.050 -0.090 0.000 0.762 206 N CB 1.171 39.640 38.487 -0.030 0.000 1.495 206 N HN 0.178 nan 8.380 nan 0.000 0.583 207 A N 1.555 124.139 122.820 -0.394 0.000 1.930 207 A HA 0.040 4.384 4.320 0.041 0.000 0.217 207 A C 2.021 179.427 177.584 -0.298 0.000 1.175 207 A CA 1.899 53.498 52.037 -0.730 0.000 0.627 207 A CB -0.689 17.455 19.000 -1.426 0.000 0.815 207 A HN 0.666 nan 8.150 nan 0.000 0.443 208 G N -0.546 108.140 108.800 -0.190 0.000 2.418 208 G HA2 -0.262 3.722 3.960 0.041 0.000 0.217 208 G HA3 -0.262 3.722 3.960 0.041 0.000 0.217 208 G C 1.764 176.632 174.900 -0.054 0.000 1.158 208 G CA 1.013 46.059 45.100 -0.090 0.000 0.771 208 G HN 0.535 nan 8.290 nan 0.000 0.545 209 R N 0.367 120.835 120.500 -0.054 0.000 2.075 209 R HA -0.073 4.292 4.340 0.041 0.000 0.232 209 R C 2.218 178.486 176.300 -0.054 0.000 1.126 209 R CA 1.808 57.883 56.100 -0.043 0.000 0.963 209 R CB -0.481 29.805 30.300 -0.024 0.000 0.858 209 R HN 0.421 nan 8.270 nan 0.000 0.435 210 D N -0.432 119.977 120.400 0.015 0.000 2.104 210 D HA -0.191 4.474 4.640 0.041 0.000 0.194 210 D C 1.718 178.069 176.300 0.084 0.000 0.994 210 D CA 1.792 55.867 54.000 0.126 0.000 0.830 210 D CB -0.046 40.958 40.800 0.340 0.000 0.959 210 D HN 0.299 nan 8.370 nan 0.000 0.452 211 C N -0.495 118.872 119.300 0.111 0.000 2.435 211 C HA -0.030 4.455 4.460 0.041 0.000 0.279 211 C C 2.929 177.923 174.990 0.006 0.000 1.321 211 C CA 0.873 59.943 59.018 0.086 0.000 1.752 211 C CB -1.177 26.615 27.740 0.086 0.000 1.959 211 C HN 0.432 nan 8.230 nan 0.000 0.500 212 S N 0.459 116.143 115.700 -0.028 0.000 2.356 212 S HA -0.120 4.374 4.470 0.041 0.000 0.223 212 S C 2.091 176.636 174.600 -0.092 0.000 1.032 212 S CA 1.163 59.342 58.200 -0.035 0.000 1.005 212 S CB -0.217 62.962 63.200 -0.036 0.000 0.867 212 S HN 0.508 nan 8.310 nan 0.000 0.449 213 R N 1.090 121.437 120.500 -0.256 0.000 2.241 213 R HA 0.113 4.478 4.340 0.041 0.000 0.224 213 R C 1.847 177.964 176.300 -0.306 0.000 1.101 213 R CA 0.490 56.291 56.100 -0.498 0.000 0.995 213 R CB -0.623 28.862 30.300 -1.358 0.000 0.870 213 R HN 0.497 nan 8.270 nan 0.000 0.463 214 R N 0.873 121.321 120.500 -0.087 0.000 2.357 214 R HA -0.026 4.338 4.340 0.041 0.000 0.202 214 R C 1.831 178.199 176.300 0.113 0.000 1.047 214 R CA 0.871 57.044 56.100 0.123 0.000 1.034 214 R CB -0.151 30.217 30.300 0.114 0.000 0.875 214 R HN 0.244 nan 8.270 nan 0.000 0.473 215 S N -0.419 115.331 115.700 0.083 0.000 2.419 215 S HA -0.086 4.408 4.470 0.041 0.000 0.233 215 S C 1.135 175.899 174.600 0.274 0.000 1.016 215 S CA 0.397 58.672 58.200 0.125 0.000 0.974 215 S CB 0.098 63.355 63.200 0.094 0.000 0.786 215 S HN 0.131 nan 8.310 nan 0.000 0.492 216 S N 2.552 118.423 115.700 0.285 0.000 2.442 216 S HA 0.443 4.938 4.470 0.041 0.000 0.297 216 S C -1.849 172.949 174.600 0.331 0.000 1.131 216 S CA -1.849 56.523 58.200 0.287 0.000 1.092 216 S CB 1.544 64.874 63.200 0.215 0.000 0.998 216 S HN 0.113 nan 8.310 nan 0.000 0.478 217 P HA 0.006 nan 4.420 nan 0.000 0.233 217 P C 1.345 178.594 177.300 -0.085 0.000 1.167 217 P CA 0.396 63.344 63.100 -0.254 0.000 0.770 217 P CB 0.065 31.442 31.700 -0.539 0.000 0.837 218 V N -0.660 119.272 119.914 0.031 0.000 2.283 218 V HA -0.233 3.912 4.120 0.041 0.000 0.243 218 V C 2.543 178.669 176.094 0.054 0.000 1.039 218 V CA 1.605 63.937 62.300 0.052 0.000 1.016 218 V CB -1.481 30.420 31.823 0.130 0.000 0.650 218 V HN -0.022 nan 8.190 nan 0.000 0.449 219 Y N 0.648 120.961 120.300 0.022 0.000 2.128 219 Y HA -0.237 4.338 4.550 0.041 0.000 0.284 219 Y C 2.372 178.265 175.900 -0.010 0.000 1.154 219 Y CA 2.151 60.261 58.100 0.016 0.000 1.149 219 Y CB -0.167 38.342 38.460 0.081 0.000 0.976 219 Y HN 0.038 nan 8.280 nan 0.000 0.505 220 V N -0.416 119.610 119.914 0.187 0.000 2.488 220 V HA -0.161 3.984 4.120 0.041 0.000 0.246 220 V C 2.568 178.623 176.094 -0.065 0.000 1.046 220 V CA 1.597 63.971 62.300 0.122 0.000 1.053 220 V CB -1.411 30.622 31.823 0.349 0.000 0.679 220 V HN 0.606 nan 8.190 nan 0.000 0.458 221 G N 0.160 108.902 108.800 -0.097 0.000 2.491 221 G HA2 -0.353 3.632 3.960 0.041 0.000 0.218 221 G HA3 -0.353 3.632 3.960 0.041 0.000 0.218 221 G C 1.678 176.440 174.900 -0.230 0.000 1.180 221 G CA 1.221 46.236 45.100 -0.142 0.000 0.774 221 G HN 0.441 nan 8.290 nan 0.000 0.562 222 R N -0.303 120.019 120.500 -0.297 0.000 2.083 222 R HA -0.063 4.302 4.340 0.041 0.000 0.237 222 R C 2.646 178.503 176.300 -0.738 0.000 1.137 222 R CA 1.783 57.614 56.100 -0.448 0.000 0.951 222 R CB -0.482 29.517 30.300 -0.502 0.000 0.851 222 R HN 0.256 nan 8.270 nan 0.000 0.434 223 V N 0.067 119.533 119.914 -0.747 0.000 2.323 223 V HA -0.096 4.049 4.120 0.041 0.000 0.244 223 V C 2.327 178.039 176.094 -0.638 0.000 1.041 223 V CA 1.982 63.721 62.300 -0.934 0.000 1.025 223 V CB -0.813 30.720 31.823 -0.483 0.000 0.656 223 V HN 0.687 nan 8.190 nan 0.000 0.451 224 G N -0.984 107.595 108.800 -0.369 0.000 2.511 224 G HA2 -0.324 3.660 3.960 0.041 0.000 0.216 224 G HA3 -0.324 3.660 3.960 0.041 0.000 0.216 224 G C 1.953 176.696 174.900 -0.261 0.000 1.218 224 G CA 1.304 46.260 45.100 -0.240 0.000 0.788 224 G HN 0.453 nan 8.290 nan 0.000 0.560 225 S N 0.509 116.058 115.700 -0.251 0.000 2.365 225 S HA -0.067 4.427 4.470 0.041 0.000 0.225 225 S C 2.511 176.952 174.600 -0.265 0.000 1.039 225 S CA 1.993 60.066 58.200 -0.212 0.000 1.033 225 S CB -0.891 62.211 63.200 -0.162 0.000 0.887 225 S HN 0.534 nan 8.310 nan 0.000 0.447 226 G N 0.644 109.184 108.800 -0.434 0.000 2.470 226 G HA2 -0.137 3.848 3.960 0.041 0.000 0.220 226 G HA3 -0.137 3.848 3.960 0.041 0.000 0.220 226 G C 1.311 176.090 174.900 -0.201 0.000 1.121 226 G CA 0.682 45.534 45.100 -0.412 0.000 0.766 226 G HN 0.444 nan 8.290 nan 0.000 0.553 227 M N 0.396 119.833 119.600 -0.272 0.000 2.556 227 M HA 0.153 4.658 4.480 0.041 0.000 0.245 227 M C 2.396 178.595 176.300 -0.168 0.000 1.128 227 M CA 0.283 55.511 55.300 -0.120 0.000 1.069 227 M CB 0.256 32.765 32.600 -0.150 0.000 1.469 227 M HN 0.109 nan 8.290 nan 0.000 0.494 228 V N 0.257 120.055 119.914 -0.193 0.000 2.379 228 V HA -0.139 4.006 4.120 0.041 0.000 0.245 228 V C 1.034 177.041 176.094 -0.145 0.000 1.044 228 V CA 1.213 63.401 62.300 -0.187 0.000 1.036 228 V CB -0.445 31.303 31.823 -0.124 0.000 0.664 228 V HN 0.527 nan 8.190 nan 0.000 0.453 229 N N -0.620 117.954 118.700 -0.210 0.000 2.804 229 N HA 0.271 5.036 4.740 0.041 0.000 0.251 229 N C -1.141 174.279 175.510 -0.149 0.000 1.250 229 N CA -0.289 52.598 53.050 -0.271 0.000 0.820 229 N CB 0.789 38.817 38.487 -0.765 0.000 1.156 229 N HN 0.327 nan 8.380 nan 0.000 0.512 230 C N 2.984 122.256 119.300 -0.048 0.000 2.281 230 C HA 0.313 4.798 4.460 0.041 0.000 0.325 230 C C 1.883 176.884 174.990 0.017 0.000 1.282 230 C CA -0.655 58.371 59.018 0.013 0.000 1.640 230 C CB -0.335 27.448 27.740 0.071 0.000 2.288 230 C HN 0.786 nan 8.230 nan 0.000 0.507 231 N N 2.149 120.850 118.700 0.001 0.000 2.187 231 N HA -0.159 4.605 4.740 0.041 0.000 0.194 231 N C 0.004 175.528 175.510 0.023 0.000 1.002 231 N CA 1.536 54.590 53.050 0.008 0.000 0.882 231 N CB 0.104 38.582 38.487 -0.014 0.000 1.003 231 N HN 0.772 nan 8.380 nan 0.000 0.443 232 D N -0.070 120.345 120.400 0.025 0.000 2.344 232 D HA -0.024 4.641 4.640 0.041 0.000 0.244 232 D C 0.956 177.298 176.300 0.071 0.000 1.134 232 D CA -0.224 53.801 54.000 0.041 0.000 0.930 232 D CB 0.425 41.248 40.800 0.038 0.000 1.175 232 D HN 0.219 nan 8.370 nan 0.000 0.437 233 D N -0.119 120.326 120.400 0.075 0.000 2.371 233 D HA -0.197 4.468 4.640 0.041 0.000 0.221 233 D C 1.113 177.494 176.300 0.135 0.000 0.986 233 D CA 0.613 54.668 54.000 0.092 0.000 0.899 233 D CB -0.222 40.622 40.800 0.073 0.000 0.902 233 D HN 0.518 nan 8.370 nan 0.000 0.530 234 Q N 0.671 120.564 119.800 0.155 0.000 2.360 234 Q HA 0.131 4.496 4.340 0.041 0.000 0.202 234 Q C 0.876 177.088 176.000 0.353 0.000 0.915 234 Q CA 0.043 55.995 55.803 0.248 0.000 0.943 234 Q CB -0.177 28.686 28.738 0.209 0.000 1.064 234 Q HN 0.146 nan 8.270 nan 0.000 0.511 235 G N 0.737 109.663 108.800 0.211 0.000 2.699 235 G HA2 0.243 4.227 3.960 0.041 0.000 0.246 235 G HA3 0.243 4.227 3.960 0.041 0.000 0.246 235 G C 0.829 175.758 174.900 0.050 0.000 1.219 235 G CA -0.200 44.956 45.100 0.094 0.000 0.866 235 G HN 0.078 nan 8.290 nan 0.000 0.572 236 V N 0.440 120.197 119.914 -0.262 0.000 2.407 236 V HA 0.101 4.245 4.120 0.041 0.000 0.245 236 V C 1.121 177.162 176.094 -0.087 0.000 1.041 236 V CA 1.219 63.219 62.300 -0.501 0.000 1.040 236 V CB -0.728 30.682 31.823 -0.687 0.000 0.671 236 V HN 0.346 nan 8.190 nan 0.000 0.455 237 L N -0.289 120.942 121.223 0.012 0.000 2.354 237 L HA 0.591 4.956 4.340 0.041 0.000 0.264 237 L C -1.098 175.899 176.870 0.211 0.000 1.008 237 L CA -0.730 54.186 54.840 0.127 0.000 0.819 237 L CB 2.375 44.568 42.059 0.222 0.000 1.339 237 L HN 0.059 nan 8.230 nan 0.000 0.420 238 L N 1.021 122.373 121.223 0.216 0.000 2.322 238 L HA 0.735 5.100 4.340 0.041 0.000 0.281 238 L C 0.224 177.297 176.870 0.338 0.000 1.014 238 L CA 0.073 55.074 54.840 0.268 0.000 0.815 238 L CB 1.556 43.761 42.059 0.244 0.000 1.247 238 L HN 0.558 nan 8.230 nan 0.000 0.421 239 G N 3.483 112.489 108.800 0.343 0.000 2.539 239 G HA2 0.568 4.552 3.960 0.041 0.000 0.258 239 G HA3 0.568 4.552 3.960 0.041 0.000 0.258 239 G C -0.998 173.800 174.900 -0.171 0.000 1.202 239 G CA -0.404 44.739 45.100 0.071 0.000 0.851 239 G HN 0.806 nan 8.290 nan 0.000 0.556 240 R N 0.029 120.021 120.500 -0.848 0.000 2.633 240 R HA 0.240 4.604 4.340 0.041 0.000 0.256 240 R C -1.296 174.732 176.300 -0.453 0.000 1.131 240 R CA -0.710 55.152 56.100 -0.396 0.000 0.994 240 R CB 0.779 30.733 30.300 -0.576 0.000 1.261 240 R HN 0.664 nan 8.270 nan 0.000 0.446 241 W N 3.926 125.314 121.300 0.146 0.000 2.190 241 W HA 0.129 4.814 4.660 0.042 0.000 0.337 241 W C -0.092 176.503 176.519 0.127 0.000 0.911 241 W CA -0.250 57.208 57.345 0.189 0.000 1.925 241 W CB 1.286 30.866 29.460 0.201 0.000 1.134 241 W HN 0.642 nan 8.180 nan 0.000 0.536 242 D N -0.948 119.532 120.400 0.133 0.000 2.463 242 D HA 0.001 4.665 4.640 0.041 0.000 0.224 242 D C 0.722 176.895 176.300 -0.211 0.000 1.174 242 D CA -0.383 53.613 54.000 -0.007 0.000 0.829 242 D CB -0.384 40.395 40.800 -0.036 0.000 0.993 242 D HN -0.061 nan 8.370 nan 0.000 0.497 243 N N 0.654 119.143 118.700 -0.352 0.000 2.753 243 N HA -0.228 4.536 4.740 0.041 0.000 0.251 243 N C -0.933 174.092 175.510 -0.809 0.000 1.097 243 N CA 0.670 53.429 53.050 -0.485 0.000 0.786 243 N CB -1.453 36.974 38.487 -0.100 0.000 1.137 243 N HN 0.375 nan 8.380 nan 0.000 0.566 244 N N 0.560 118.590 118.700 -1.117 0.000 2.904 244 N HA 0.190 4.954 4.740 0.041 0.000 0.257 244 N C -1.110 174.059 175.510 -0.569 0.000 1.363 244 N CA -0.226 52.455 53.050 -0.616 0.000 0.856 244 N CB -0.259 38.031 38.487 -0.327 0.000 1.166 244 N HN 0.182 nan 8.380 nan 0.000 0.499 245 Y N -0.691 119.606 120.300 -0.004 0.000 2.801 245 Y HA 0.405 4.979 4.550 0.040 0.000 0.318 245 Y C 1.773 177.789 175.900 0.193 0.000 1.073 245 Y CA -0.785 57.396 58.100 0.135 0.000 1.360 245 Y CB 0.550 39.079 38.460 0.114 0.000 1.220 245 Y HN 0.363 nan 8.280 nan 0.000 0.536 246 G N -0.438 108.485 108.800 0.204 0.000 2.551 246 G HA2 -0.145 3.840 3.960 0.041 0.000 0.216 246 G HA3 -0.145 3.840 3.960 0.041 0.000 0.216 246 G C 1.099 176.073 174.900 0.124 0.000 1.137 246 G CA 0.363 45.540 45.100 0.127 0.000 0.798 246 G HN 0.243 nan 8.290 nan 0.000 0.536 247 D N 0.477 120.992 120.400 0.190 0.000 2.228 247 D HA 0.092 4.756 4.640 0.041 0.000 0.203 247 D C 1.705 178.008 176.300 0.005 0.000 0.988 247 D CA 1.447 55.511 54.000 0.107 0.000 0.864 247 D CB 0.176 41.074 40.800 0.164 0.000 0.928 247 D HN 0.420 nan 8.370 nan 0.000 0.469 248 G N -1.599 107.215 108.800 0.022 0.000 3.319 248 G HA2 0.429 4.414 3.960 0.041 0.000 0.158 248 G HA3 0.429 4.414 3.960 0.041 0.000 0.158 248 G C -1.343 173.545 174.900 -0.021 0.000 1.205 248 G CA -0.241 44.813 45.100 -0.077 0.000 1.252 248 G HN -0.018 nan 8.290 nan 0.000 0.668 249 V N 0.882 120.773 119.914 -0.038 0.000 2.656 249 V HA 0.642 4.786 4.120 0.041 0.000 0.307 249 V C 0.231 176.247 176.094 -0.129 0.000 1.051 249 V CA -0.679 61.520 62.300 -0.169 0.000 0.893 249 V CB 1.566 33.116 31.823 -0.456 0.000 0.999 249 V HN 0.717 nan 8.190 nan 0.000 0.426 250 S N 4.928 120.490 115.700 -0.230 0.000 2.564 250 S HA 0.235 4.729 4.470 0.041 0.000 0.278 250 S C -1.383 172.995 174.600 -0.369 0.000 1.333 250 S CA -0.854 57.155 58.200 -0.317 0.000 1.048 250 S CB 1.189 64.288 63.200 -0.168 0.000 0.900 250 S HN 0.612 nan 8.310 nan 0.000 0.505 251 P HA -0.094 nan 4.420 nan 0.000 0.217 251 P C 0.943 178.388 177.300 0.243 0.000 1.148 251 P CA 1.336 64.352 63.100 -0.140 0.000 0.828 251 P CB 0.046 31.439 31.700 -0.511 0.000 0.783 252 M N -1.697 118.017 119.600 0.189 0.000 2.619 252 M HA 0.006 4.510 4.480 0.041 0.000 0.251 252 M C 1.768 178.134 176.300 0.110 0.000 1.106 252 M CA 1.120 56.589 55.300 0.282 0.000 1.086 252 M CB -0.929 31.762 32.600 0.152 0.000 1.465 252 M HN -0.189 nan 8.290 nan 0.000 0.506 253 S N -1.089 114.558 115.700 -0.087 0.000 2.341 253 S HA 0.006 4.500 4.470 0.041 0.000 0.216 253 S C -0.018 174.476 174.600 -0.176 0.000 1.034 253 S CA -0.120 57.945 58.200 -0.225 0.000 0.964 253 S CB -0.364 62.562 63.200 -0.458 0.000 0.882 253 S HN 0.517 nan 8.310 nan 0.000 0.469 254 W N 2.646 123.931 121.300 -0.025 0.000 2.571 254 W HA 0.000 4.684 4.660 0.040 0.000 0.334 254 W C 1.030 177.352 176.519 -0.327 0.000 1.141 254 W CA -0.155 57.103 57.345 -0.144 0.000 1.299 254 W CB -0.181 29.264 29.460 -0.025 0.000 1.154 254 W HN 0.292 nan 8.180 nan 0.000 0.563 255 I N 1.187 121.549 120.570 -0.345 0.000 3.947 255 I HA 0.658 4.852 4.170 0.041 0.000 0.327 255 I C 0.709 176.081 176.117 -1.242 0.000 1.519 255 I CA -0.258 60.653 61.300 -0.650 0.000 1.122 255 I CB -0.120 37.682 38.000 -0.330 0.000 1.146 255 I HN 0.411 nan 8.210 nan 0.000 0.442 256 G N 0.162 108.047 108.800 -1.525 0.000 2.523 256 G HA2 0.314 4.299 3.960 0.041 0.000 0.291 256 G HA3 0.314 4.299 3.960 0.041 0.000 0.291 256 G C -0.414 174.170 174.900 -0.526 0.000 1.450 256 G CA -0.193 44.107 45.100 -1.334 0.000 0.790 256 G HN -0.118 nan 8.290 nan 0.000 0.496 257 S N -0.660 115.006 115.700 -0.058 0.000 2.524 257 S HA 0.069 4.563 4.470 0.041 0.000 0.216 257 S C 2.234 176.818 174.600 -0.027 0.000 0.987 257 S CA 0.515 58.784 58.200 0.115 0.000 0.909 257 S CB 0.462 63.839 63.200 0.294 0.000 0.781 257 S HN 0.400 nan 8.310 nan 0.000 0.521 258 V N 1.989 121.876 119.914 -0.045 0.000 2.323 258 V HA -0.129 4.016 4.120 0.041 0.000 0.244 258 V C 2.266 178.353 176.094 -0.012 0.000 1.041 258 V CA 1.928 64.218 62.300 -0.018 0.000 1.025 258 V CB -0.494 31.317 31.823 -0.020 0.000 0.656 258 V HN 0.384 nan 8.190 nan 0.000 0.451 259 D N -0.019 120.377 120.400 -0.005 0.000 2.178 259 D HA -0.133 4.532 4.640 0.041 0.000 0.201 259 D C 1.936 178.257 176.300 0.036 0.000 0.980 259 D CA 1.243 55.282 54.000 0.064 0.000 0.842 259 D CB -0.125 40.783 40.800 0.180 0.000 0.948 259 D HN 0.447 nan 8.370 nan 0.000 0.472 260 I N -0.288 120.185 120.570 -0.161 0.000 2.179 260 I HA -0.227 3.967 4.170 0.041 0.000 0.242 260 I C 2.037 178.122 176.117 -0.054 0.000 1.088 260 I CA 0.373 61.491 61.300 -0.303 0.000 1.357 260 I CB -0.157 37.465 38.000 -0.629 0.000 1.051 260 I HN 0.109 nan 8.210 nan 0.000 0.409 261 L N 0.696 121.897 121.223 -0.037 0.000 2.042 261 L HA -0.183 4.181 4.340 0.041 0.000 0.210 261 L C 2.619 179.597 176.870 0.179 0.000 1.076 261 L CA 1.820 56.701 54.840 0.068 0.000 0.749 261 L CB -1.093 40.982 42.059 0.026 0.000 0.893 261 L HN 0.191 nan 8.230 nan 0.000 0.432 262 R N -1.287 119.270 120.500 0.096 0.000 2.090 262 R HA -0.082 4.283 4.340 0.041 0.000 0.228 262 R C 2.320 178.641 176.300 0.035 0.000 1.110 262 R CA 0.794 56.933 56.100 0.065 0.000 0.973 262 R CB -0.218 30.104 30.300 0.037 0.000 0.869 262 R HN 0.329 nan 8.270 nan 0.000 0.440 263 R N -0.112 120.440 120.500 0.087 0.000 2.080 263 R HA -0.210 4.155 4.340 0.041 0.000 0.236 263 R C 2.007 178.378 176.300 0.119 0.000 1.137 263 R CA 1.928 58.099 56.100 0.118 0.000 0.943 263 R CB -0.492 29.960 30.300 0.252 0.000 0.846 263 R HN 0.297 nan 8.270 nan 0.000 0.431 264 W N 2.371 123.676 121.300 0.007 0.000 2.302 264 W HA -0.296 4.389 4.660 0.041 0.000 0.320 264 W C 2.191 178.690 176.519 -0.035 0.000 1.241 264 W CA 1.803 59.153 57.345 0.008 0.000 1.264 264 W CB -0.317 29.132 29.460 -0.018 0.000 1.154 264 W HN -0.043 nan 8.180 nan 0.000 0.483 265 K N 0.146 120.470 120.400 -0.127 0.000 2.063 265 K HA -0.243 4.102 4.320 0.041 0.000 0.208 265 K C 1.713 178.075 176.600 -0.398 0.000 1.048 265 K CA 1.992 58.044 56.287 -0.391 0.000 0.928 265 K CB -0.845 31.593 32.500 -0.103 0.000 0.713 265 K HN 0.386 nan 8.250 nan 0.000 0.442 266 N N -0.368 118.097 118.700 -0.392 0.000 2.494 266 N HA -0.083 4.681 4.740 0.041 0.000 0.182 266 N C -0.033 175.137 175.510 -0.567 0.000 1.076 266 N CA 0.377 53.133 53.050 -0.490 0.000 0.908 266 N CB 0.104 38.247 38.487 -0.573 0.000 0.967 266 N HN 0.280 nan 8.380 nan 0.000 0.449 267 H N -0.156 118.822 119.070 -0.154 0.000 2.505 267 H HA 0.209 4.789 4.556 0.041 0.000 0.260 267 H C 0.818 176.030 175.328 -0.193 0.000 1.232 267 H CA -0.315 55.655 56.048 -0.130 0.000 0.991 267 H CB 0.018 29.737 29.762 -0.073 0.000 1.729 267 H HN 0.133 nan 8.280 nan 0.000 0.561 268 G N 0.839 109.531 108.800 -0.180 0.000 2.323 268 G HA2 -0.356 3.629 3.960 0.041 0.000 0.292 268 G HA3 -0.356 3.629 3.960 0.041 0.000 0.292 268 G C 0.769 175.474 174.900 -0.325 0.000 1.040 268 G CA 0.095 45.070 45.100 -0.208 0.000 0.942 268 G HN 0.704 nan 8.290 nan 0.000 0.506 269 C N -1.407 117.482 119.300 -0.685 0.000 4.114 269 C HA -0.156 4.328 4.460 0.041 0.000 0.300 269 C C 1.000 175.786 174.990 -0.340 0.000 1.423 269 C CA 1.426 59.761 59.018 -1.138 0.000 2.034 269 C CB -2.263 25.024 27.740 -0.755 0.000 1.299 269 C HN 0.841 nan 8.230 nan 0.000 0.727 270 Q N -0.398 119.297 119.800 -0.175 0.000 2.241 270 Q HA 0.462 4.827 4.340 0.041 0.000 0.254 270 Q C 0.468 176.628 176.000 0.268 0.000 0.917 270 Q CA -0.516 55.340 55.803 0.088 0.000 0.919 270 Q CB 0.939 29.708 28.738 0.051 0.000 1.237 270 Q HN 0.509 nan 8.270 nan 0.000 0.434 271 R N 0.715 121.380 120.500 0.275 0.000 2.538 271 R HA -0.016 4.349 4.340 0.041 0.000 0.273 271 R C -0.543 175.862 176.300 0.175 0.000 0.967 271 R CA 0.154 56.402 56.100 0.246 0.000 1.101 271 R CB 0.022 30.417 30.300 0.159 0.000 0.908 271 R HN 0.321 nan 8.270 nan 0.000 0.411 272 V N 4.099 124.106 119.914 0.156 0.000 2.439 272 V HA 0.169 4.314 4.120 0.041 0.000 0.282 272 V C 0.313 176.403 176.094 -0.007 0.000 1.039 272 V CA -0.491 61.861 62.300 0.086 0.000 0.913 272 V CB 1.464 33.346 31.823 0.097 0.000 0.983 272 V HN 0.616 nan 8.190 nan 0.000 0.460 273 K N 4.329 124.637 120.400 -0.154 0.000 2.211 273 K HA 0.620 4.965 4.320 0.041 0.000 0.275 273 K C -1.531 174.930 176.600 -0.230 0.000 1.024 273 K CA -0.312 55.648 56.287 -0.545 0.000 0.887 273 K CB 1.138 32.857 32.500 -1.301 0.000 1.084 273 K HN 0.559 nan 8.250 nan 0.000 0.463 274 Y N -0.469 119.914 120.300 0.139 0.000 2.581 274 Y HA 0.494 5.070 4.550 0.043 0.000 0.345 274 Y C 0.567 176.362 175.900 -0.174 0.000 1.036 274 Y CA -0.957 57.127 58.100 -0.027 0.000 1.042 274 Y CB 2.226 40.636 38.460 -0.083 0.000 1.289 274 Y HN 0.676 nan 8.280 nan 0.000 0.471 275 G N 0.343 109.009 108.800 -0.225 0.000 2.509 275 G HA2 0.697 4.681 3.960 0.041 0.000 0.328 275 G HA3 0.697 4.681 3.960 0.041 0.000 0.328 275 G C -1.368 172.854 174.900 -1.130 0.000 1.194 275 G CA -0.540 44.060 45.100 -0.832 0.000 0.967 275 G HN 0.498 nan 8.290 nan 0.000 0.488 276 Q N -1.705 117.231 119.800 -1.440 0.000 2.683 276 Q HA 0.233 4.598 4.340 0.041 0.000 0.302 276 Q C 1.610 177.061 176.000 -0.915 0.000 1.042 276 Q CA -0.594 54.537 55.803 -1.119 0.000 0.773 276 Q CB 2.024 30.170 28.738 -0.986 0.000 1.508 276 Q HN 0.793 nan 8.270 nan 0.000 0.459 277 C N -0.788 118.423 119.300 -0.147 0.000 2.385 277 C HA -0.156 4.329 4.460 0.041 0.000 0.275 277 C C 2.065 177.021 174.990 -0.057 0.000 1.207 277 C CA 1.472 60.578 59.018 0.148 0.000 1.760 277 C CB -1.682 26.209 27.740 0.252 0.000 2.051 277 C HN 1.002 nan 8.230 nan 0.000 0.467 278 W N 1.903 123.133 121.300 -0.117 0.000 2.519 278 W HA 0.230 4.915 4.660 0.040 0.000 0.266 278 W C 1.697 178.000 176.519 -0.361 0.000 1.253 278 W CA 0.980 58.213 57.345 -0.187 0.000 1.274 278 W CB -0.922 28.474 29.460 -0.107 0.000 1.114 278 W HN 0.188 nan 8.180 nan 0.000 0.596 279 V N 1.223 120.380 119.914 -1.261 0.000 2.379 279 V HA -0.249 3.896 4.120 0.041 0.000 0.245 279 V C 2.195 177.918 176.094 -0.618 0.000 1.044 279 V CA 1.606 63.320 62.300 -0.976 0.000 1.036 279 V CB -1.193 30.015 31.823 -1.025 0.000 0.664 279 V HN 0.081 nan 8.190 nan 0.000 0.453 280 F N 1.548 121.286 119.950 -0.353 0.000 2.095 280 F HA -0.125 4.426 4.527 0.040 0.000 0.298 280 F C 2.548 178.237 175.800 -0.186 0.000 1.104 280 F CA 1.294 59.160 58.000 -0.222 0.000 1.232 280 F CB -1.483 37.441 39.000 -0.128 0.000 0.987 280 F HN 0.102 nan 8.300 nan 0.000 0.475 281 A N 0.121 122.942 122.820 0.002 0.000 1.902 281 A HA -0.039 4.306 4.320 0.041 0.000 0.217 281 A C 2.453 179.971 177.584 -0.110 0.000 1.181 281 A CA 1.886 53.900 52.037 -0.039 0.000 0.623 281 A CB -1.328 17.639 19.000 -0.055 0.000 0.818 281 A HN 0.317 nan 8.150 nan 0.000 0.443 282 A N -0.587 122.091 122.820 -0.236 0.000 1.877 282 A HA -0.007 4.338 4.320 0.041 0.000 0.216 282 A C 2.221 179.813 177.584 0.012 0.000 1.186 282 A CA 1.833 53.706 52.037 -0.273 0.000 0.620 282 A CB -0.932 17.416 19.000 -1.087 0.000 0.822 282 A HN 0.411 nan 8.150 nan 0.000 0.443 283 V N -0.130 119.758 119.914 -0.043 0.000 2.427 283 V HA -0.211 3.933 4.120 0.041 0.000 0.248 283 V C 3.030 179.100 176.094 -0.041 0.000 1.051 283 V CA 1.751 64.043 62.300 -0.014 0.000 1.048 283 V CB -1.237 30.525 31.823 -0.101 0.000 0.666 283 V HN 0.612 nan 8.190 nan 0.000 0.456 284 A N -1.023 121.761 122.820 -0.060 0.000 1.908 284 A HA -0.307 4.038 4.320 0.041 0.000 0.218 284 A C 2.424 179.955 177.584 -0.088 0.000 1.181 284 A CA 2.183 54.174 52.037 -0.077 0.000 0.627 284 A CB -1.213 17.750 19.000 -0.062 0.000 0.818 284 A HN 0.593 nan 8.150 nan 0.000 0.445 285 C N -1.152 118.080 119.300 -0.115 0.000 2.429 285 C HA -0.085 4.400 4.460 0.041 0.000 0.277 285 C C 2.993 177.856 174.990 -0.212 0.000 1.262 285 C CA 1.931 60.803 59.018 -0.242 0.000 1.733 285 C CB -1.517 25.911 27.740 -0.520 0.000 2.010 285 C HN 0.631 nan 8.230 nan 0.000 0.483 286 T N 0.480 115.004 114.554 -0.050 0.000 2.622 286 T HA -0.182 4.192 4.350 0.041 0.000 0.266 286 T C 1.776 176.462 174.700 -0.023 0.000 1.047 286 T CA 2.142 64.257 62.100 0.024 0.000 1.159 286 T CB -0.482 68.468 68.868 0.136 0.000 0.863 286 T HN 0.422 nan 8.240 nan 0.000 0.422 287 V N 1.484 121.380 119.914 -0.031 0.000 2.252 287 V HA -0.176 3.969 4.120 0.041 0.000 0.249 287 V C 2.505 178.598 176.094 -0.002 0.000 1.056 287 V CA 1.767 64.050 62.300 -0.029 0.000 1.022 287 V CB -0.708 31.069 31.823 -0.076 0.000 0.641 287 V HN 0.430 nan 8.190 nan 0.000 0.445 288 L N -1.071 120.136 121.223 -0.026 0.000 2.109 288 L HA -0.073 4.292 4.340 0.041 0.000 0.207 288 L C 2.765 179.656 176.870 0.036 0.000 1.086 288 L CA 1.253 56.093 54.840 0.000 0.000 0.760 288 L CB -0.599 41.438 42.059 -0.037 0.000 0.910 288 L HN 0.191 nan 8.230 nan 0.000 0.437 289 R N -0.676 119.818 120.500 -0.011 0.000 2.091 289 R HA -0.214 4.150 4.340 0.041 0.000 0.238 289 R C 2.491 178.855 176.300 0.105 0.000 1.136 289 R CA 1.760 57.868 56.100 0.014 0.000 0.959 289 R CB -0.908 29.327 30.300 -0.109 0.000 0.856 289 R HN 0.445 nan 8.270 nan 0.000 0.437 290 C N 0.978 120.324 119.300 0.077 0.000 2.413 290 C HA -0.090 4.395 4.460 0.041 0.000 0.276 290 C C 2.386 177.539 174.990 0.273 0.000 1.236 290 C CA 0.833 59.964 59.018 0.187 0.000 1.735 290 C CB -0.923 26.891 27.740 0.124 0.000 2.031 290 C HN 0.430 nan 8.230 nan 0.000 0.474 291 L N 0.245 121.608 121.223 0.233 0.000 2.552 291 L HA 0.210 4.575 4.340 0.041 0.000 0.227 291 L C 1.967 179.092 176.870 0.425 0.000 1.146 291 L CA 1.074 56.094 54.840 0.299 0.000 0.858 291 L CB -0.603 41.642 42.059 0.309 0.000 0.969 291 L HN 0.669 nan 8.230 nan 0.000 0.451 292 G N 0.429 109.449 108.800 0.366 0.000 2.179 292 G HA2 -0.229 3.755 3.960 0.041 0.000 0.220 292 G HA3 -0.229 3.755 3.960 0.041 0.000 0.220 292 G C 0.174 175.238 174.900 0.272 0.000 0.990 292 G CA -0.510 44.826 45.100 0.393 0.000 0.646 292 G HN 0.229 nan 8.290 nan 0.000 0.517 293 I N 2.510 123.161 120.570 0.135 0.000 2.337 293 I HA 0.270 4.464 4.170 0.041 0.000 0.291 293 I C -1.995 174.141 176.117 0.032 0.000 1.046 293 I CA -2.190 59.086 61.300 -0.040 0.000 1.324 293 I CB 1.211 39.104 38.000 -0.179 0.000 1.409 293 I HN -0.150 nan 8.210 nan 0.000 0.494 294 P HA 0.052 nan 4.420 nan 0.000 0.263 294 P C -0.821 176.566 177.300 0.144 0.000 1.195 294 P CA 0.349 63.502 63.100 0.090 0.000 0.762 294 P CB 0.467 32.171 31.700 0.007 0.000 0.799 295 T N 3.839 118.472 114.554 0.132 0.000 2.916 295 T HA 0.652 5.026 4.350 0.041 0.000 0.305 295 T C -0.593 174.069 174.700 -0.063 0.000 1.119 295 T CA -0.955 61.179 62.100 0.058 0.000 1.008 295 T CB 1.675 70.526 68.868 -0.029 0.000 1.129 295 T HN 0.422 nan 8.240 nan 0.000 0.480 296 R N 0.293 120.680 120.500 -0.188 0.000 2.604 296 R HA 0.757 5.122 4.340 0.041 0.000 0.281 296 R C -1.670 174.483 176.300 -0.245 0.000 1.020 296 R CA -0.901 55.056 56.100 -0.238 0.000 0.899 296 R CB 0.976 31.047 30.300 -0.382 0.000 1.205 296 R HN 0.349 nan 8.270 nan 0.000 0.450 297 V N 3.061 122.866 119.914 -0.181 0.000 2.530 297 V HA 0.333 4.477 4.120 0.041 0.000 0.282 297 V C 0.368 176.331 176.094 -0.219 0.000 1.048 297 V CA -0.379 61.815 62.300 -0.176 0.000 0.997 297 V CB 1.241 33.014 31.823 -0.084 0.000 0.987 297 V HN 0.627 nan 8.190 nan 0.000 0.477 298 V N 1.989 121.661 119.914 -0.403 0.000 2.823 298 V HA 0.812 4.957 4.120 0.041 0.000 0.312 298 V C -0.335 175.347 176.094 -0.686 0.000 1.072 298 V CA -0.330 61.639 62.300 -0.550 0.000 0.937 298 V CB 2.159 33.514 31.823 -0.779 0.000 1.013 298 V HN 0.749 nan 8.190 nan 0.000 0.430 299 T N 3.854 118.083 114.554 -0.541 0.000 2.824 299 T HA 0.517 4.892 4.350 0.041 0.000 0.282 299 T C -0.592 173.746 174.700 -0.604 0.000 0.993 299 T CA -0.261 61.519 62.100 -0.533 0.000 0.967 299 T CB 1.281 69.905 68.868 -0.406 0.000 0.960 299 T HN 1.033 nan 8.240 nan 0.000 0.441 300 N N 1.452 119.837 118.700 -0.526 0.000 2.361 300 N HA 0.488 5.253 4.740 0.041 0.000 0.302 300 N C -1.747 173.601 175.510 -0.269 0.000 1.074 300 N CA -0.540 52.347 53.050 -0.272 0.000 0.850 300 N CB 0.774 39.284 38.487 0.038 0.000 1.228 300 N HN 0.463 nan 8.380 nan 0.000 0.491 301 Y N 1.118 121.474 120.300 0.093 0.000 2.409 301 Y HA 0.489 5.063 4.550 0.039 0.000 0.339 301 Y C 0.029 175.994 175.900 0.107 0.000 1.033 301 Y CA -0.773 57.407 58.100 0.134 0.000 1.094 301 Y CB 1.553 40.058 38.460 0.075 0.000 1.210 301 Y HN 0.450 nan 8.280 nan 0.000 0.456 302 N N 0.842 119.704 118.700 0.271 0.000 2.292 302 N HA 0.568 5.333 4.740 0.041 0.000 0.303 302 N C -1.415 174.155 175.510 0.099 0.000 1.140 302 N CA -0.757 52.378 53.050 0.142 0.000 0.788 302 N CB 2.193 40.724 38.487 0.074 0.000 1.361 302 N HN 0.598 nan 8.380 nan 0.000 0.489 303 S N -0.958 114.756 115.700 0.023 0.000 2.547 303 S HA 0.840 5.335 4.470 0.041 0.000 0.281 303 S C -0.726 173.751 174.600 -0.204 0.000 1.118 303 S CA -0.871 57.283 58.200 -0.076 0.000 0.947 303 S CB 1.886 65.053 63.200 -0.055 0.000 1.053 303 S HN 0.692 nan 8.310 nan 0.000 0.482 304 A N 2.254 124.890 122.820 -0.308 0.000 2.269 304 A HA 0.838 5.183 4.320 0.041 0.000 0.327 304 A C -0.598 176.565 177.584 -0.703 0.000 1.112 304 A CA -0.690 51.160 52.037 -0.310 0.000 0.865 304 A CB 0.674 19.593 19.000 -0.135 0.000 1.227 304 A HN 0.950 nan 8.150 nan 0.000 0.498 305 H N 0.700 119.782 119.070 0.021 0.000 3.017 305 H HA 0.306 4.876 4.556 0.022 0.000 0.340 305 H C -1.450 173.891 175.328 0.022 0.000 1.014 305 H CA -0.638 55.422 56.048 0.021 0.000 1.341 305 H CB 1.508 31.279 29.762 0.014 0.000 1.739 305 H HN 0.705 nan 8.280 nan 0.000 0.506 310 N N 2.130 120.853 118.700 0.038 0.000 2.131 310 N HA -0.022 4.743 4.740 0.041 0.000 0.276 310 N C 1.238 176.768 175.510 0.033 0.000 1.295 310 N CA 0.686 53.758 53.050 0.036 0.000 0.818 310 N CB 0.296 38.806 38.487 0.039 0.000 1.049 310 N HN 0.455 nan 8.380 nan 0.000 0.484 311 L N 4.055 125.293 121.223 0.026 0.000 2.081 311 L HA -0.229 4.135 4.340 0.041 0.000 0.212 311 L C 2.369 179.243 176.870 0.007 0.000 1.080 311 L CA 1.230 56.081 54.840 0.020 0.000 0.754 311 L CB -0.155 41.912 42.059 0.012 0.000 0.893 311 L HN 0.705 nan 8.230 nan 0.000 0.433 312 L N -0.518 120.697 121.223 -0.014 0.000 2.017 312 L HA -0.261 4.104 4.340 0.041 0.000 0.208 312 L C 2.392 179.306 176.870 0.074 0.000 1.073 312 L CA 1.582 56.389 54.840 -0.055 0.000 0.745 312 L CB -0.070 41.947 42.059 -0.070 0.000 0.894 312 L HN 0.236 nan 8.230 nan 0.000 0.432 313 I N -0.561 120.070 120.570 0.102 0.000 2.617 313 I HA -0.206 3.988 4.170 0.041 0.000 0.256 313 I C 2.301 178.490 176.117 0.120 0.000 1.167 313 I CA 0.824 62.214 61.300 0.149 0.000 1.469 313 I CB -0.183 37.866 38.000 0.083 0.000 1.098 313 I HN 0.209 nan 8.210 nan 0.000 0.436 314 E N -0.020 120.224 120.200 0.072 0.000 2.015 314 E HA -0.270 4.104 4.350 0.041 0.000 0.191 314 E C 2.096 178.709 176.600 0.022 0.000 0.991 314 E CA 1.460 57.886 56.400 0.042 0.000 0.802 314 E CB -0.352 29.366 29.700 0.030 0.000 0.759 314 E HN 0.487 nan 8.360 nan 0.000 0.447 315 Y N 0.500 120.708 120.300 -0.153 0.000 2.096 315 Y HA -0.357 4.214 4.550 0.036 0.000 0.276 315 Y C 1.861 177.574 175.900 -0.311 0.000 1.209 315 Y CA 1.993 59.922 58.100 -0.286 0.000 1.137 315 Y CB -0.359 37.846 38.460 -0.425 0.000 0.956 315 Y HN 0.014 nan 8.280 nan 0.000 0.506 316 F N -0.856 119.090 119.950 -0.007 0.000 2.149 316 F HA -0.090 4.456 4.527 0.032 0.000 0.294 316 F C 2.739 178.442 175.800 -0.162 0.000 1.095 316 F CA 1.002 58.916 58.000 -0.143 0.000 1.276 316 F CB -0.452 38.494 39.000 -0.091 0.000 1.023 316 F HN -0.135 nan 8.300 nan 0.000 0.480 317 R N 1.710 122.268 120.500 0.097 0.000 2.097 317 R HA -0.151 4.213 4.340 0.041 0.000 0.236 317 R C -0.079 176.209 176.300 -0.019 0.000 1.135 317 R CA 2.115 58.236 56.100 0.034 0.000 0.934 317 R CB -1.105 29.217 30.300 0.038 0.000 0.846 317 R HN 0.585 nan 8.270 nan 0.000 0.431 329 E N 2.434 122.602 120.200 -0.053 0.000 1.852 329 E HA 0.316 4.691 4.350 0.041 0.000 0.276 329 E C 0.096 176.609 176.600 -0.144 0.000 1.163 329 E CA -0.042 56.326 56.400 -0.054 0.000 1.117 329 E CB 0.056 29.796 29.700 0.067 0.000 1.124 329 E HN 0.418 nan 8.360 nan 0.000 0.458 330 M N 2.712 122.031 119.600 -0.469 0.000 2.336 330 M HA 0.422 4.927 4.480 0.041 0.000 0.256 330 M C -0.602 175.178 176.300 -0.866 0.000 1.176 330 M CA -0.370 54.500 55.300 -0.716 0.000 0.948 330 M CB 0.938 32.735 32.600 -1.339 0.000 1.393 330 M HN 0.269 nan 8.290 nan 0.000 0.528 331 I N 1.227 121.153 120.570 -1.073 0.000 2.382 331 I HA 0.294 4.488 4.170 0.041 0.000 0.286 331 I C -1.559 174.140 176.117 -0.696 0.000 1.002 331 I CA -0.485 60.346 61.300 -0.781 0.000 1.135 331 I CB 0.825 38.388 38.000 -0.729 0.000 1.288 331 I HN 0.657 nan 8.210 nan 0.000 0.448 332 W N 4.620 125.785 121.300 -0.225 0.000 2.485 332 W HA 0.330 5.015 4.660 0.042 0.000 0.364 332 W C 1.636 178.111 176.519 -0.073 0.000 1.171 332 W CA -0.621 56.629 57.345 -0.159 0.000 1.304 332 W CB 0.303 29.669 29.460 -0.156 0.000 1.335 332 W HN 0.526 nan 8.180 nan 0.000 0.643 333 N N 1.319 120.172 118.700 0.255 0.000 2.094 333 N HA -0.184 4.581 4.740 0.041 0.000 0.191 333 N C 0.101 175.846 175.510 0.393 0.000 1.023 333 N CA 1.632 54.839 53.050 0.262 0.000 0.857 333 N CB -0.591 38.058 38.487 0.270 0.000 1.013 333 N HN 0.439 nan 8.380 nan 0.000 0.426 334 F N -2.416 117.674 119.950 0.234 0.000 2.626 334 F HA 0.693 5.243 4.527 0.039 0.000 0.311 334 F C -0.872 175.031 175.800 0.172 0.000 1.088 334 F CA -1.451 56.592 58.000 0.072 0.000 0.949 334 F CB 1.196 40.082 39.000 -0.191 0.000 1.322 334 F HN 0.015 nan 8.300 nan 0.000 0.461 335 H N 0.338 119.492 119.070 0.139 0.000 2.894 335 H HA 0.729 5.309 4.556 0.041 0.000 0.367 335 H C -1.812 173.637 175.328 0.202 0.000 1.144 335 H CA -1.070 55.072 56.048 0.157 0.000 1.180 335 H CB 1.985 31.946 29.762 0.331 0.000 1.758 335 H HN 1.101 nan 8.280 nan 0.000 0.541 336 C N 4.533 123.580 119.300 -0.421 0.000 2.507 336 C HA 0.712 5.196 4.460 0.041 0.000 0.319 336 C C -0.920 173.920 174.990 -0.249 0.000 1.208 336 C CA -0.514 58.314 59.018 -0.317 0.000 1.619 336 C CB -0.689 27.026 27.740 -0.043 0.000 2.230 336 C HN 0.917 nan 8.230 nan 0.000 0.492 337 W N 1.522 122.668 121.300 -0.256 0.000 3.163 337 W HA 0.814 5.497 4.660 0.039 0.000 0.395 337 W C -0.982 175.473 176.519 -0.108 0.000 1.100 337 W CA -0.912 56.340 57.345 -0.156 0.000 1.134 337 W CB -0.218 29.182 29.460 -0.100 0.000 1.496 337 W HN 0.615 nan 8.180 nan 0.000 0.605 338 V N -1.205 118.823 119.914 0.190 0.000 2.960 338 V HA 0.738 4.883 4.120 0.041 0.000 0.315 338 V C -0.892 175.307 176.094 0.176 0.000 1.087 338 V CA -1.168 61.153 62.300 0.034 0.000 0.982 338 V CB 1.792 33.606 31.823 -0.015 0.000 1.039 338 V HN 0.711 nan 8.190 nan 0.000 0.437 339 E N 1.258 121.475 120.200 0.027 0.000 2.199 339 E HA 0.698 5.073 4.350 0.041 0.000 0.269 339 E C -1.077 175.669 176.600 0.244 0.000 0.899 339 E CA -0.612 55.867 56.400 0.131 0.000 0.772 339 E CB 2.242 31.878 29.700 -0.107 0.000 1.155 339 E HN 0.815 nan 8.360 nan 0.000 0.408 340 S N 1.724 117.642 115.700 0.364 0.000 2.536 340 S HA 0.349 4.844 4.470 0.041 0.000 0.298 340 S C -1.521 173.231 174.600 0.253 0.000 1.083 340 S CA -0.847 57.538 58.200 0.308 0.000 0.995 340 S CB 1.156 64.408 63.200 0.087 0.000 1.058 340 S HN 0.457 nan 8.310 nan 0.000 0.488 341 W N 6.441 127.609 121.300 -0.220 0.000 2.361 341 W HA 0.635 5.319 4.660 0.040 0.000 0.309 341 W C -1.008 175.323 176.519 -0.312 0.000 1.122 341 W CA -0.663 56.361 57.345 -0.536 0.000 1.208 341 W CB 0.758 29.663 29.460 -0.924 0.000 1.246 341 W HN 0.768 nan 8.180 nan 0.000 0.490 342 M N 3.877 123.059 119.600 -0.696 0.000 2.755 342 M HA 0.251 4.756 4.480 0.041 0.000 0.276 342 M C -0.717 175.293 176.300 -0.483 0.000 1.129 342 M CA -0.647 54.379 55.300 -0.457 0.000 0.832 342 M CB 1.447 33.903 32.600 -0.241 0.000 1.700 342 M HN 0.241 nan 8.290 nan 0.000 0.518 343 T N -0.277 114.106 114.554 -0.286 0.000 2.766 343 T HA 0.562 4.936 4.350 0.041 0.000 0.295 343 T C 0.117 174.747 174.700 -0.116 0.000 1.024 343 T CA -0.568 61.415 62.100 -0.195 0.000 1.018 343 T CB 0.677 69.487 68.868 -0.096 0.000 1.002 343 T HN 0.728 nan 8.240 nan 0.000 0.532 344 R N 1.656 122.118 120.500 -0.064 0.000 2.674 344 R HA 0.259 4.623 4.340 0.041 0.000 0.270 344 R C -2.164 174.146 176.300 0.017 0.000 1.492 344 R CA -1.984 54.111 56.100 -0.009 0.000 1.624 344 R CB 0.821 31.130 30.300 0.016 0.000 1.307 344 R HN 0.589 nan 8.270 nan 0.000 0.683 345 P HA -0.126 nan 4.420 nan 0.000 0.228 345 P C 0.526 177.844 177.300 0.030 0.000 1.151 345 P CA 0.988 64.100 63.100 0.020 0.000 0.770 345 P CB 0.311 32.023 31.700 0.021 0.000 0.786 346 D N -0.869 119.554 120.400 0.039 0.000 2.355 346 D HA -0.020 4.644 4.640 0.041 0.000 0.218 346 D C 0.806 177.118 176.300 0.021 0.000 1.004 346 D CA 0.336 54.358 54.000 0.038 0.000 0.880 346 D CB -0.189 40.648 40.800 0.061 0.000 0.911 346 D HN 0.222 nan 8.370 nan 0.000 0.528 347 L N -0.153 121.091 121.223 0.036 0.000 2.299 347 L HA 0.285 4.649 4.340 0.041 0.000 0.268 347 L C 0.706 177.624 176.870 0.081 0.000 1.012 347 L CA -1.266 53.611 54.840 0.060 0.000 0.816 347 L CB 1.081 43.204 42.059 0.107 0.000 1.355 347 L HN -0.213 nan 8.230 nan 0.000 0.457 348 Q N 0.666 120.535 119.800 0.115 0.000 2.432 348 Q HA 0.179 4.543 4.340 0.041 0.000 0.264 348 Q C -2.194 173.821 176.000 0.025 0.000 1.035 348 Q CA -1.428 54.414 55.803 0.064 0.000 0.908 348 Q CB 0.015 28.790 28.738 0.061 0.000 1.280 348 Q HN 0.232 nan 8.270 nan 0.000 0.455 349 P HA -0.021 nan 4.420 nan 0.000 0.265 349 P C 0.414 177.614 177.300 -0.165 0.000 1.187 349 P CA 0.990 64.050 63.100 -0.067 0.000 0.766 349 P CB 0.267 31.932 31.700 -0.058 0.000 0.820 350 G N 1.242 109.951 108.800 -0.152 0.000 2.163 350 G HA2 -0.273 3.711 3.960 0.041 0.000 0.213 350 G HA3 -0.273 3.711 3.960 0.041 0.000 0.213 350 G C 0.243 174.990 174.900 -0.255 0.000 0.991 350 G CA -0.410 44.561 45.100 -0.216 0.000 0.653 350 G HN 0.452 nan 8.290 nan 0.000 0.518 351 Y N 1.939 122.199 120.300 -0.066 0.000 2.524 351 Y HA 0.264 4.839 4.550 0.041 0.000 0.266 351 Y C 1.455 177.263 175.900 -0.153 0.000 1.180 351 Y CA -0.394 57.655 58.100 -0.084 0.000 1.244 351 Y CB 0.260 38.684 38.460 -0.058 0.000 1.125 351 Y HN 0.531 nan 8.280 nan 0.000 0.524 352 E N 0.161 120.318 120.200 -0.072 0.000 2.415 352 E HA 0.378 4.753 4.350 0.041 0.000 0.262 352 E C 0.870 177.175 176.600 -0.491 0.000 1.038 352 E CA 1.029 57.264 56.400 -0.275 0.000 0.921 352 E CB 1.280 30.816 29.700 -0.273 0.000 0.950 352 E HN 0.360 nan 8.360 nan 0.000 0.438 353 G N 2.156 110.390 108.800 -0.942 0.000 2.253 353 G HA2 -0.173 3.812 3.960 0.041 0.000 0.190 353 G HA3 -0.173 3.812 3.960 0.041 0.000 0.190 353 G C -1.485 172.821 174.900 -0.991 0.000 1.274 353 G CA -0.500 43.574 45.100 -1.711 0.000 1.275 353 G HN 0.536 nan 8.290 nan 0.000 0.518 354 W N 2.502 123.670 121.300 -0.219 0.000 2.266 354 W HA 0.617 5.303 4.660 0.043 0.000 0.317 354 W C 0.286 176.764 176.519 -0.068 0.000 1.310 354 W CA -0.262 57.081 57.345 -0.003 0.000 1.207 354 W CB 1.015 30.527 29.460 0.086 0.000 1.199 354 W HN 0.296 nan 8.180 nan 0.000 0.544 355 Q N 2.825 122.779 119.800 0.257 0.000 2.330 355 Q HA 0.512 4.876 4.340 0.041 0.000 0.269 355 Q C -0.372 175.747 176.000 0.199 0.000 1.022 355 Q CA -0.819 55.068 55.803 0.140 0.000 0.796 355 Q CB 1.795 30.564 28.738 0.050 0.000 1.271 355 Q HN 0.556 nan 8.270 nan 0.000 0.450 356 A N 3.727 126.661 122.820 0.190 0.000 2.450 356 A HA 0.552 4.897 4.320 0.041 0.000 0.255 356 A C -0.419 177.241 177.584 0.125 0.000 1.096 356 A CA -0.144 52.035 52.037 0.237 0.000 0.778 356 A CB 0.186 19.305 19.000 0.198 0.000 1.031 356 A HN 0.679 nan 8.150 nan 0.000 0.494 357 L N 2.611 123.932 121.223 0.162 0.000 2.376 357 L HA 0.377 4.742 4.340 0.041 0.000 0.275 357 L C -0.898 176.032 176.870 0.099 0.000 0.987 357 L CA -0.564 54.318 54.840 0.069 0.000 0.828 357 L CB 2.129 44.207 42.059 0.031 0.000 1.249 357 L HN 0.661 nan 8.230 nan 0.000 0.409 358 D N 5.283 125.696 120.400 0.023 0.000 2.461 358 D HA 0.292 4.957 4.640 0.041 0.000 0.240 358 D C -1.951 174.359 176.300 0.018 0.000 1.094 358 D CA -1.686 52.356 54.000 0.070 0.000 0.868 358 D CB 2.019 42.825 40.800 0.010 0.000 1.062 358 D HN 0.187 nan 8.370 nan 0.000 0.530 359 P HA 0.056 nan 4.420 nan 0.000 0.255 359 P C 0.132 177.288 177.300 -0.241 0.000 1.301 359 P CA -0.096 62.949 63.100 -0.091 0.000 0.817 359 P CB 0.109 31.780 31.700 -0.049 0.000 1.259 360 T N 2.398 116.898 114.554 -0.090 0.000 2.907 360 T HA 0.141 4.516 4.350 0.041 0.000 0.298 360 T C -1.338 173.250 174.700 -0.186 0.000 1.017 360 T CA -0.901 61.120 62.100 -0.132 0.000 1.118 360 T CB 0.538 69.610 68.868 0.339 0.000 0.948 360 T HN -0.025 nan 8.240 nan 0.000 0.531 361 P HA -0.214 nan 4.420 nan 0.000 0.214 361 P C 0.273 177.520 177.300 -0.088 0.000 1.099 361 P CA 1.306 64.324 63.100 -0.136 0.000 0.976 361 P CB 0.022 31.759 31.700 0.062 0.000 0.774 362 Q N 0.783 120.555 119.800 -0.047 0.000 2.337 362 Q HA 0.038 4.402 4.340 0.041 0.000 0.255 362 Q C -0.084 175.837 176.000 -0.131 0.000 1.205 362 Q CA 0.150 55.925 55.803 -0.048 0.000 0.902 362 Q CB -0.456 28.280 28.738 -0.002 0.000 1.433 362 Q HN 0.435 nan 8.270 nan 0.000 0.471 363 E N 2.650 122.779 120.200 -0.117 0.000 2.105 363 E HA 0.099 4.474 4.350 0.041 0.000 0.285 363 E C 0.193 176.743 176.600 -0.084 0.000 1.055 363 E CA -0.309 56.004 56.400 -0.145 0.000 0.843 363 E CB 1.028 30.664 29.700 -0.107 0.000 1.067 363 E HN 0.425 nan 8.360 nan 0.000 0.398 364 K N 2.535 122.892 120.400 -0.073 0.000 2.770 364 K HA 0.028 4.373 4.320 0.041 0.000 0.195 364 K C 1.424 178.072 176.600 0.081 0.000 1.515 364 K CA 0.178 56.478 56.287 0.022 0.000 1.199 364 K CB 0.110 32.649 32.500 0.066 0.000 1.681 364 K HN 0.331 nan 8.250 nan 0.000 0.586 365 S N 0.408 116.196 115.700 0.146 0.000 2.317 365 S HA -0.057 4.438 4.470 0.041 0.000 0.212 365 S C 0.360 175.016 174.600 0.095 0.000 1.030 365 S CA 1.329 59.636 58.200 0.179 0.000 0.970 365 S CB 0.019 63.419 63.200 0.335 0.000 0.928 365 S HN 0.541 nan 8.310 nan 0.000 0.451 366 E N -2.036 118.211 120.200 0.079 0.000 2.401 366 E HA 0.492 4.867 4.350 0.041 0.000 0.280 366 E C -0.597 176.020 176.600 0.028 0.000 1.039 366 E CA -0.276 56.153 56.400 0.047 0.000 0.814 366 E CB 0.986 30.721 29.700 0.058 0.000 1.275 366 E HN 0.626 nan 8.360 nan 0.000 0.448 367 G N 0.492 109.296 108.800 0.006 0.000 2.663 367 G HA2 -0.181 3.804 3.960 0.041 0.000 0.686 367 G HA3 -0.181 3.804 3.960 0.041 0.000 0.686 367 G C 0.384 175.226 174.900 -0.098 0.000 1.288 367 G CA -0.108 44.985 45.100 -0.012 0.000 0.836 367 G HN 0.551 nan 8.290 nan 0.000 0.584 368 T N -0.266 114.178 114.554 -0.184 0.000 2.904 368 T HA 0.192 4.566 4.350 0.041 0.000 0.267 368 T C 0.577 174.920 174.700 -0.596 0.000 1.059 368 T CA 2.022 63.857 62.100 -0.441 0.000 1.137 368 T CB -0.085 68.417 68.868 -0.610 0.000 0.879 368 T HN 0.463 nan 8.240 nan 0.000 0.467 369 Y N -1.413 118.818 120.300 -0.114 0.000 2.581 369 Y HA 0.594 5.168 4.550 0.041 0.000 0.345 369 Y C -0.468 175.332 175.900 -0.167 0.000 1.036 369 Y CA -1.469 56.540 58.100 -0.152 0.000 1.042 369 Y CB 1.828 40.171 38.460 -0.196 0.000 1.289 369 Y HN -0.043 nan 8.280 nan 0.000 0.471 370 C N 0.960 120.260 119.300 0.002 0.000 3.086 370 C HA 0.807 5.291 4.460 0.041 0.000 0.311 370 C C -1.275 173.636 174.990 -0.132 0.000 1.260 370 C CA -0.667 58.268 59.018 -0.139 0.000 1.426 370 C CB 0.450 27.996 27.740 -0.322 0.000 1.826 370 C HN 0.922 nan 8.230 nan 0.000 0.474 371 C N 3.067 122.288 119.300 -0.130 0.000 2.441 371 C HA 0.997 5.482 4.460 0.041 0.000 0.318 371 C C 0.503 175.463 174.990 -0.050 0.000 1.222 371 C CA 0.749 59.696 59.018 -0.118 0.000 1.474 371 C CB 0.313 27.963 27.740 -0.150 0.000 2.125 371 C HN 1.629 nan 8.230 nan 0.000 0.479 372 G N 4.354 113.158 108.800 0.007 0.000 2.434 372 G HA2 0.053 4.038 3.960 0.041 0.000 0.671 372 G HA3 0.053 4.038 3.960 0.041 0.000 0.671 372 G C -3.399 171.484 174.900 -0.029 0.000 1.280 372 G CA -0.933 44.193 45.100 0.044 0.000 0.975 372 G HN 0.521 nan 8.290 nan 0.000 0.510 373 P HA 0.516 nan 4.420 nan 0.000 0.279 373 P C -0.607 176.769 177.300 0.126 0.000 1.239 373 P CA -0.264 62.876 63.100 0.067 0.000 0.789 373 P CB 1.948 33.671 31.700 0.038 0.000 0.933 374 V N 4.747 124.700 119.914 0.064 0.000 2.588 374 V HA 0.437 4.582 4.120 0.041 0.000 0.304 374 V C -2.615 173.461 176.094 -0.029 0.000 1.042 374 V CA -3.004 59.300 62.300 0.006 0.000 0.877 374 V CB 2.124 33.957 31.823 0.017 0.000 0.996 374 V HN 0.374 nan 8.190 nan 0.000 0.425 375 P HA 0.096 nan 4.420 nan 0.000 0.265 375 P C 0.968 178.230 177.300 -0.062 0.000 1.193 375 P CA 0.241 63.276 63.100 -0.109 0.000 0.765 375 P CB 0.949 32.492 31.700 -0.261 0.000 0.823 376 V N 4.101 123.999 119.914 -0.027 0.000 2.332 376 V HA -0.262 3.883 4.120 0.041 0.000 0.248 376 V C 2.503 178.526 176.094 -0.119 0.000 1.055 376 V CA 1.916 64.117 62.300 -0.164 0.000 1.038 376 V CB -0.948 30.696 31.823 -0.299 0.000 0.651 376 V HN 0.625 nan 8.190 nan 0.000 0.450 377 R N -0.136 120.371 120.500 0.012 0.000 2.127 377 R HA -0.171 4.194 4.340 0.041 0.000 0.238 377 R C 2.266 178.687 176.300 0.202 0.000 1.134 377 R CA 1.501 57.675 56.100 0.123 0.000 0.975 377 R CB -0.372 30.072 30.300 0.240 0.000 0.865 377 R HN 0.538 nan 8.270 nan 0.000 0.447 378 A N 0.892 123.762 122.820 0.084 0.000 1.930 378 A HA -0.120 4.225 4.320 0.041 0.000 0.217 378 A C 1.926 179.562 177.584 0.086 0.000 1.175 378 A CA 0.989 53.023 52.037 -0.006 0.000 0.627 378 A CB -0.293 18.476 19.000 -0.385 0.000 0.815 378 A HN 0.198 nan 8.150 nan 0.000 0.443 379 I N 0.184 120.816 120.570 0.103 0.000 2.142 379 I HA -0.218 3.976 4.170 0.041 0.000 0.240 379 I C 2.334 178.634 176.117 0.305 0.000 1.078 379 I CA 1.880 63.334 61.300 0.257 0.000 1.343 379 I CB -1.360 36.790 38.000 0.249 0.000 1.046 379 I HN 0.398 nan 8.210 nan 0.000 0.405 380 K N 0.508 120.997 120.400 0.149 0.000 2.113 380 K HA -0.240 4.105 4.320 0.041 0.000 0.208 380 K C 1.760 178.514 176.600 0.256 0.000 1.047 380 K CA 1.658 58.010 56.287 0.109 0.000 0.928 380 K CB 0.062 32.498 32.500 -0.107 0.000 0.716 380 K HN 0.059 nan 8.250 nan 0.000 0.446 381 E N -0.848 119.511 120.200 0.265 0.000 2.489 381 E HA 0.075 4.450 4.350 0.041 0.000 0.193 381 E C 0.527 177.273 176.600 0.243 0.000 1.057 381 E CA 0.631 57.213 56.400 0.303 0.000 0.866 381 E CB 0.417 30.278 29.700 0.268 0.000 0.916 381 E HN 0.495 nan 8.360 nan 0.000 0.500 382 G N 1.695 110.642 108.800 0.245 0.000 2.203 382 G HA2 -0.324 3.661 3.960 0.041 0.000 0.263 382 G HA3 -0.324 3.661 3.960 0.041 0.000 0.263 382 G C 0.086 174.933 174.900 -0.087 0.000 1.012 382 G CA 0.525 45.642 45.100 0.027 0.000 0.749 382 G HN 0.341 nan 8.290 nan 0.000 0.512 383 D N 0.369 120.778 120.400 0.014 0.000 2.551 383 D HA 0.300 4.964 4.640 0.041 0.000 0.223 383 D C 1.762 178.025 176.300 -0.062 0.000 1.144 383 D CA -0.457 53.551 54.000 0.014 0.000 1.025 383 D CB -0.479 40.398 40.800 0.128 0.000 1.085 383 D HN 0.324 nan 8.370 nan 0.000 0.506 384 L N 1.355 122.501 121.223 -0.128 0.000 2.599 384 L HA -0.002 4.362 4.340 0.041 0.000 0.230 384 L C 1.986 178.802 176.870 -0.091 0.000 1.141 384 L CA 0.234 54.980 54.840 -0.157 0.000 0.877 384 L CB -0.226 41.656 42.059 -0.296 0.000 1.009 384 L HN 0.262 nan 8.230 nan 0.000 0.447 385 S N -2.292 113.373 115.700 -0.057 0.000 2.558 385 S HA 0.010 4.504 4.470 0.041 0.000 0.217 385 S C 0.905 175.460 174.600 -0.076 0.000 0.975 385 S CA -0.331 57.840 58.200 -0.048 0.000 0.912 385 S CB -0.386 62.799 63.200 -0.026 0.000 0.776 385 S HN 0.237 nan 8.310 nan 0.000 0.526 386 T N 3.567 118.059 114.554 -0.104 0.000 2.814 386 T HA 0.260 4.635 4.350 0.041 0.000 0.297 386 T C -0.117 174.474 174.700 -0.181 0.000 0.956 386 T CA -0.310 61.693 62.100 -0.162 0.000 1.123 386 T CB 0.814 69.513 68.868 -0.282 0.000 0.902 386 T HN 0.320 nan 8.240 nan 0.000 0.528 387 K N 2.402 122.648 120.400 -0.257 0.000 2.295 387 K HA 0.283 4.627 4.320 0.041 0.000 0.270 387 K C -0.831 175.620 176.600 -0.248 0.000 1.011 387 K CA -0.169 55.868 56.287 -0.416 0.000 0.953 387 K CB 0.517 32.474 32.500 -0.903 0.000 0.956 387 K HN 0.554 nan 8.250 nan 0.000 0.477 388 Y N 0.690 120.973 120.300 -0.029 0.000 2.409 388 Y HA 0.083 4.658 4.550 0.041 0.000 0.339 388 Y C 0.015 175.929 175.900 0.023 0.000 1.033 388 Y CA -0.535 57.566 58.100 0.002 0.000 1.094 388 Y CB 1.497 39.960 38.460 0.005 0.000 1.210 388 Y HN 0.713 nan 8.280 nan 0.000 0.456 389 D N 0.808 121.328 120.400 0.199 0.000 2.800 389 D HA -0.234 4.431 4.640 0.041 0.000 0.232 389 D C 1.102 177.541 176.300 0.230 0.000 1.137 389 D CA 0.849 55.008 54.000 0.264 0.000 0.718 389 D CB -1.130 39.786 40.800 0.194 0.000 1.084 389 D HN 0.744 nan 8.370 nan 0.000 0.432 390 A N -0.246 122.641 122.820 0.112 0.000 1.940 390 A HA -0.074 4.271 4.320 0.041 0.000 0.219 390 A C -0.099 177.532 177.584 0.079 0.000 1.176 390 A CA 1.584 53.659 52.037 0.064 0.000 0.631 390 A CB -0.907 18.083 19.000 -0.017 0.000 0.814 390 A HN 0.301 nan 8.150 nan 0.000 0.446 391 P HA -0.126 nan 4.420 nan 0.000 0.218 391 P C 0.946 178.215 177.300 -0.051 0.000 1.148 391 P CA 0.976 64.029 63.100 -0.079 0.000 0.822 391 P CB -0.165 31.394 31.700 -0.236 0.000 0.784 392 F N -1.161 118.802 119.950 0.023 0.000 2.186 392 F HA -0.136 4.416 4.527 0.041 0.000 0.299 392 F C 2.223 177.995 175.800 -0.046 0.000 1.090 392 F CA 1.108 59.106 58.000 -0.004 0.000 1.307 392 F CB -1.183 37.807 39.000 -0.016 0.000 1.019 392 F HN -0.259 nan 8.300 nan 0.000 0.489 393 V N -1.012 118.975 119.914 0.121 0.000 2.488 393 V HA -0.241 3.904 4.120 0.041 0.000 0.246 393 V C 2.069 178.160 176.094 -0.005 0.000 1.046 393 V CA 1.187 63.442 62.300 -0.075 0.000 1.053 393 V CB -0.895 30.859 31.823 -0.114 0.000 0.679 393 V HN 0.252 nan 8.190 nan 0.000 0.458 394 F N 2.031 121.964 119.950 -0.029 0.000 2.091 394 F HA -0.279 4.274 4.527 0.042 0.000 0.299 394 F C 2.340 178.136 175.800 -0.006 0.000 1.103 394 F CA 1.797 59.799 58.000 0.002 0.000 1.228 394 F CB -0.447 38.544 39.000 -0.014 0.000 0.984 394 F HN 0.094 nan 8.300 nan 0.000 0.477 395 A N -0.406 122.487 122.820 0.121 0.000 2.019 395 A HA -0.161 4.184 4.320 0.041 0.000 0.219 395 A C 2.053 179.624 177.584 -0.022 0.000 1.164 395 A CA 1.660 53.721 52.037 0.041 0.000 0.644 395 A CB -0.605 18.415 19.000 0.034 0.000 0.805 395 A HN 0.453 nan 8.150 nan 0.000 0.449 396 E N -0.458 119.707 120.200 -0.059 0.000 2.216 396 E HA -0.072 4.303 4.350 0.041 0.000 0.192 396 E C 1.826 178.418 176.600 -0.013 0.000 0.988 396 E CA 1.548 57.922 56.400 -0.042 0.000 0.834 396 E CB -0.096 29.531 29.700 -0.122 0.000 0.772 396 E HN 0.680 nan 8.360 nan 0.000 0.479 397 V N -2.198 117.660 119.914 -0.094 0.000 3.528 397 V HA 0.332 4.477 4.120 0.041 0.000 0.294 397 V C 0.195 176.201 176.094 -0.147 0.000 1.404 397 V CA -0.412 61.844 62.300 -0.074 0.000 1.065 397 V CB 0.137 31.920 31.823 -0.066 0.000 0.904 397 V HN -0.079 nan 8.190 nan 0.000 0.435 398 N N 1.288 119.850 118.700 -0.230 0.000 2.235 398 N HA 0.822 5.587 4.740 0.041 0.000 0.293 398 N C -1.082 174.409 175.510 -0.032 0.000 1.083 398 N CA 0.395 53.313 53.050 -0.220 0.000 0.801 398 N CB 2.475 40.586 38.487 -0.628 0.000 1.559 398 N HN 0.484 nan 8.380 nan 0.000 0.472 399 A N 0.847 123.710 122.820 0.072 0.000 2.491 399 A HA 0.381 4.725 4.320 0.041 0.000 0.293 399 A C -1.721 175.995 177.584 0.220 0.000 1.047 399 A CA -0.734 51.417 52.037 0.190 0.000 0.735 399 A CB 1.273 20.387 19.000 0.190 0.000 1.281 399 A HN 0.679 nan 8.150 nan 0.000 0.398 400 D N 1.650 122.223 120.400 0.288 0.000 2.381 400 D HA 0.540 5.204 4.640 0.041 0.000 0.235 400 D C -1.046 175.418 176.300 0.274 0.000 1.068 400 D CA -0.235 53.934 54.000 0.282 0.000 0.832 400 D CB 1.478 42.534 40.800 0.427 0.000 1.101 400 D HN 0.294 nan 8.370 nan 0.000 0.515 401 V N 4.065 124.098 119.914 0.198 0.000 2.483 401 V HA 0.542 4.686 4.120 0.041 0.000 0.297 401 V C -0.382 175.773 176.094 0.101 0.000 1.027 401 V CA -0.833 61.574 62.300 0.180 0.000 0.855 401 V CB 1.712 33.604 31.823 0.116 0.000 0.995 401 V HN 0.535 nan 8.190 nan 0.000 0.424 402 V N 3.254 123.232 119.914 0.107 0.000 2.638 402 V HA 0.521 4.666 4.120 0.041 0.000 0.306 402 V C -0.944 175.175 176.094 0.041 0.000 1.052 402 V CA -0.671 61.644 62.300 0.024 0.000 0.885 402 V CB 2.250 34.089 31.823 0.026 0.000 0.999 402 V HN 0.810 nan 8.190 nan 0.000 0.424 403 D N 2.801 123.167 120.400 -0.058 0.000 2.177 403 D HA 0.431 5.096 4.640 0.041 0.000 0.247 403 D C -1.072 175.150 176.300 -0.130 0.000 1.063 403 D CA -0.040 53.963 54.000 0.005 0.000 0.867 403 D CB 1.702 42.502 40.800 0.000 0.000 1.168 403 D HN 0.472 nan 8.370 nan 0.000 0.445 404 W N 3.289 124.603 121.300 0.024 0.000 2.336 404 W HA 0.340 5.023 4.660 0.038 0.000 0.315 404 W C 1.287 177.823 176.519 0.029 0.000 1.016 404 W CA -0.727 56.634 57.345 0.026 0.000 1.318 404 W CB 0.428 29.905 29.460 0.029 0.000 1.247 404 W HN 0.337 nan 8.180 nan 0.000 0.414 405 I N -0.531 120.141 120.570 0.170 0.000 3.172 405 I HA 0.184 4.379 4.170 0.041 0.000 0.278 405 I C 0.860 177.051 176.117 0.124 0.000 1.174 405 I CA 0.053 61.428 61.300 0.126 0.000 1.445 405 I CB -0.279 37.765 38.000 0.072 0.000 1.175 405 I HN 0.356 nan 8.210 nan 0.000 0.447 415 S N 3.205 118.639 115.700 -0.443 0.000 2.570 415 S HA 0.432 4.927 4.470 0.041 0.000 0.286 415 S C -1.209 173.289 174.600 -0.171 0.000 1.143 415 S CA -0.842 57.219 58.200 -0.232 0.000 0.921 415 S CB 0.680 63.787 63.200 -0.155 0.000 1.108 415 S HN 0.516 nan 8.310 nan 0.000 0.456 416 I N 4.722 125.219 120.570 -0.121 0.000 2.598 416 I HA 0.252 4.447 4.170 0.041 0.000 0.284 416 I C 0.798 176.889 176.117 -0.044 0.000 1.140 416 I CA 0.364 61.620 61.300 -0.074 0.000 1.420 416 I CB 0.366 38.325 38.000 -0.069 0.000 1.387 416 I HN 0.594 nan 8.210 nan 0.000 0.553 417 N N 6.310 125.001 118.700 -0.015 0.000 2.444 417 N HA 0.222 4.987 4.740 0.041 0.000 0.262 417 N C 0.215 175.737 175.510 0.019 0.000 0.974 417 N CA -0.661 52.391 53.050 0.004 0.000 0.933 417 N CB 0.927 39.425 38.487 0.020 0.000 1.137 417 N HN 0.589 nan 8.380 nan 0.000 0.498 418 R N 1.943 122.455 120.500 0.019 0.000 2.702 418 R HA 0.307 4.672 4.340 0.041 0.000 0.314 418 R C 0.407 176.772 176.300 0.109 0.000 1.152 418 R CA -0.242 55.884 56.100 0.044 0.000 1.097 418 R CB -0.204 30.099 30.300 0.005 0.000 1.343 418 R HN 0.200 nan 8.270 nan 0.000 0.575 419 S N 0.159 115.913 115.700 0.090 0.000 2.419 419 S HA 0.008 4.503 4.470 0.041 0.000 0.233 419 S C 0.523 175.180 174.600 0.095 0.000 1.016 419 S CA 0.706 58.974 58.200 0.113 0.000 0.974 419 S CB -0.078 63.159 63.200 0.061 0.000 0.786 419 S HN 0.492 nan 8.310 nan 0.000 0.492 420 L N 1.466 122.727 121.223 0.063 0.000 2.406 420 L HA 0.555 4.919 4.340 0.041 0.000 0.272 420 L C -2.044 174.853 176.870 0.045 0.000 0.980 420 L CA -0.583 54.266 54.840 0.015 0.000 0.831 420 L CB 1.449 43.475 42.059 -0.056 0.000 1.253 420 L HN -0.023 nan 8.230 nan 0.000 0.406 421 I N 6.213 126.818 120.570 0.058 0.000 2.382 421 I HA 0.424 4.619 4.170 0.041 0.000 0.286 421 I C 0.194 176.340 176.117 0.049 0.000 1.002 421 I CA -0.580 60.763 61.300 0.070 0.000 1.135 421 I CB 1.818 39.887 38.000 0.114 0.000 1.288 421 I HN 0.390 nan 8.210 nan 0.000 0.448 422 V N 2.483 122.422 119.914 0.042 0.000 2.581 422 V HA 1.010 5.154 4.120 0.041 0.000 0.303 422 V C 0.568 176.692 176.094 0.049 0.000 1.041 422 V CA -0.425 61.899 62.300 0.041 0.000 0.907 422 V CB 1.127 32.961 31.823 0.019 0.000 0.994 422 V HN 1.172 nan 8.190 nan 0.000 0.442 423 G N 3.307 112.148 108.800 0.069 0.000 2.467 423 G HA2 -0.111 3.874 3.960 0.041 0.000 0.242 423 G HA3 -0.111 3.874 3.960 0.041 0.000 0.242 423 G C -0.829 174.116 174.900 0.076 0.000 1.127 423 G CA 0.022 45.159 45.100 0.062 0.000 0.924 423 G HN 1.005 nan 8.290 nan 0.000 0.499 424 L N 0.238 121.527 121.223 0.111 0.000 2.334 424 L HA 0.615 4.979 4.340 0.041 0.000 0.276 424 L C 1.016 177.980 176.870 0.156 0.000 1.014 424 L CA -1.151 53.757 54.840 0.113 0.000 0.815 424 L CB 1.587 43.715 42.059 0.114 0.000 1.268 424 L HN 0.253 nan 8.230 nan 0.000 0.428 425 K N 2.386 122.840 120.400 0.090 0.000 3.148 425 K HA -0.175 4.170 4.320 0.041 0.000 0.267 425 K C -0.352 176.325 176.600 0.129 0.000 0.996 425 K CA 0.551 56.884 56.287 0.075 0.000 0.737 425 K CB -1.473 31.025 32.500 -0.005 0.000 1.308 425 K HN 0.516 nan 8.250 nan 0.000 0.470 426 I N 1.329 121.917 120.570 0.030 0.000 2.598 426 I HA -0.043 4.152 4.170 0.041 0.000 0.284 426 I C 0.709 176.754 176.117 -0.120 0.000 1.140 426 I CA 0.582 61.831 61.300 -0.085 0.000 1.420 426 I CB 0.681 38.607 38.000 -0.122 0.000 1.387 426 I HN 0.090 nan 8.210 nan 0.000 0.553 427 S N 3.853 119.436 115.700 -0.194 0.000 2.541 427 S HA 0.677 5.172 4.470 0.041 0.000 0.280 427 S C -0.384 174.085 174.600 -0.218 0.000 1.112 427 S CA -0.629 57.420 58.200 -0.250 0.000 0.925 427 S CB 2.463 65.444 63.200 -0.365 0.000 1.067 427 S HN 0.706 nan 8.310 nan 0.000 0.479 428 T N 1.135 115.585 114.554 -0.174 0.000 2.853 428 T HA 0.401 4.776 4.350 0.041 0.000 0.311 428 T C -1.400 173.403 174.700 0.171 0.000 1.307 428 T CA -0.735 61.384 62.100 0.032 0.000 1.019 428 T CB 1.261 70.071 68.868 -0.097 0.000 1.264 428 T HN 0.594 nan 8.240 nan 0.000 0.497 429 K N 2.031 122.655 120.400 0.374 0.000 2.448 429 K HA 0.313 4.658 4.320 0.041 0.000 0.278 429 K C 0.061 176.792 176.600 0.219 0.000 1.009 429 K CA -0.058 56.460 56.287 0.384 0.000 0.995 429 K CB 0.288 33.039 32.500 0.419 0.000 0.917 429 K HN 0.554 nan 8.250 nan 0.000 0.481 430 S N 1.839 117.640 115.700 0.168 0.000 2.579 430 S HA 0.035 4.530 4.470 0.041 0.000 0.275 430 S C -0.346 174.296 174.600 0.071 0.000 1.345 430 S CA -0.852 57.408 58.200 0.101 0.000 1.031 430 S CB 1.016 64.258 63.200 0.069 0.000 0.892 430 S HN 0.425 nan 8.310 nan 0.000 0.529 431 V N 2.917 122.836 119.914 0.008 0.000 2.450 431 V HA 0.345 4.490 4.120 0.041 0.000 0.281 431 V C 1.437 177.499 176.094 -0.053 0.000 1.019 431 V CA 1.022 63.263 62.300 -0.100 0.000 1.062 431 V CB -0.332 31.398 31.823 -0.156 0.000 0.979 431 V HN 1.252 nan 8.190 nan 0.000 0.477 432 G N 4.939 113.710 108.800 -0.049 0.000 2.168 432 G HA2 -0.265 3.720 3.960 0.041 0.000 0.263 432 G HA3 -0.265 3.720 3.960 0.041 0.000 0.263 432 G C 0.200 175.117 174.900 0.028 0.000 0.977 432 G CA 0.489 45.581 45.100 -0.014 0.000 0.659 432 G HN 0.667 nan 8.290 nan 0.000 0.533 433 R N -0.591 119.943 120.500 0.058 0.000 2.725 433 R HA 0.437 4.802 4.340 0.041 0.000 0.277 433 R C -1.469 174.927 176.300 0.159 0.000 0.987 433 R CA -1.029 55.122 56.100 0.084 0.000 0.901 433 R CB 1.110 31.444 30.300 0.056 0.000 1.207 433 R HN -0.011 nan 8.270 nan 0.000 0.463 434 D N 2.542 123.052 120.400 0.184 0.000 2.713 434 D HA 0.130 4.795 4.640 0.041 0.000 0.229 434 D C -0.331 176.010 176.300 0.068 0.000 1.136 434 D CA 0.547 54.720 54.000 0.289 0.000 1.010 434 D CB 0.336 41.322 40.800 0.310 0.000 1.084 434 D HN 0.235 nan 8.370 nan 0.000 0.495 435 E N 0.277 120.525 120.200 0.080 0.000 2.429 435 E HA 0.327 4.702 4.350 0.041 0.000 0.276 435 E C -0.383 176.245 176.600 0.047 0.000 0.953 435 E CA -0.828 55.578 56.400 0.010 0.000 0.787 435 E CB 2.644 32.349 29.700 0.008 0.000 1.307 435 E HN 0.073 nan 8.360 nan 0.000 0.458 436 R N 1.337 121.810 120.500 -0.044 0.000 2.312 436 R HA 0.241 4.606 4.340 0.041 0.000 0.311 436 R C -0.482 175.735 176.300 -0.138 0.000 1.004 436 R CA -0.200 55.787 56.100 -0.188 0.000 0.902 436 R CB 1.027 31.053 30.300 -0.457 0.000 1.073 436 R HN 0.543 nan 8.270 nan 0.000 0.457 437 E N 3.308 123.437 120.200 -0.118 0.000 2.151 437 E HA 0.058 4.432 4.350 0.041 0.000 0.275 437 E C -1.274 175.269 176.600 -0.095 0.000 0.936 437 E CA -0.687 55.677 56.400 -0.060 0.000 0.777 437 E CB 1.271 30.974 29.700 0.003 0.000 1.108 437 E HN 0.507 nan 8.360 nan 0.000 0.401 438 D N 5.173 125.543 120.400 -0.050 0.000 2.316 438 D HA 0.119 4.784 4.640 0.041 0.000 0.245 438 D C 0.556 176.880 176.300 0.039 0.000 1.171 438 D CA -0.268 53.714 54.000 -0.030 0.000 0.856 438 D CB 0.707 41.502 40.800 -0.008 0.000 1.090 438 D HN 0.591 nan 8.370 nan 0.000 0.476 439 I N 0.833 121.378 120.570 -0.042 0.000 3.877 439 I HA 0.138 4.333 4.170 0.041 0.000 0.332 439 I C 1.079 177.095 176.117 -0.167 0.000 1.525 439 I CA -0.539 60.663 61.300 -0.165 0.000 1.146 439 I CB 0.360 38.262 38.000 -0.164 0.000 1.137 439 I HN 0.018 nan 8.210 nan 0.000 0.424 440 T N 1.262 115.804 114.554 -0.020 0.000 2.759 440 T HA -0.214 4.160 4.350 0.041 0.000 0.269 440 T C 1.707 176.433 174.700 0.042 0.000 1.042 440 T CA 2.616 64.746 62.100 0.051 0.000 1.140 440 T CB -0.594 68.318 68.868 0.073 0.000 0.864 440 T HN 0.794 nan 8.240 nan 0.000 0.455 441 H N 1.512 120.618 119.070 0.061 0.000 2.489 441 H HA -0.053 4.527 4.556 0.041 0.000 0.295 441 H C 2.190 177.503 175.328 -0.025 0.000 1.082 441 H CA 1.676 57.736 56.048 0.020 0.000 1.295 441 H CB -1.011 28.761 29.762 0.017 0.000 1.380 441 H HN 0.445 nan 8.280 nan 0.000 0.548 442 T N -2.938 111.301 114.554 -0.526 0.000 2.951 442 T HA -0.129 4.245 4.350 0.041 0.000 0.268 442 T C 1.450 175.962 174.700 -0.312 0.000 1.073 442 T CA 0.879 62.759 62.100 -0.367 0.000 1.134 442 T CB -0.465 68.156 68.868 -0.412 0.000 0.884 442 T HN 0.500 nan 8.240 nan 0.000 0.479 443 Y N 1.238 121.476 120.300 -0.104 0.000 2.509 443 Y HA 0.467 5.042 4.550 0.042 0.000 0.270 443 Y C 0.847 176.724 175.900 -0.039 0.000 1.103 443 Y CA -0.120 57.965 58.100 -0.025 0.000 1.278 443 Y CB 0.588 39.070 38.460 0.037 0.000 1.087 443 Y HN 0.099 nan 8.280 nan 0.000 0.542 444 K N -0.271 120.171 120.400 0.071 0.000 2.581 444 K HA 0.246 4.591 4.320 0.041 0.000 0.249 444 K C -1.648 174.973 176.600 0.036 0.000 0.966 444 K CA -0.623 55.707 56.287 0.072 0.000 0.811 444 K CB 1.596 34.160 32.500 0.107 0.000 1.223 444 K HN -0.104 nan 8.250 nan 0.000 0.438 445 Y N 2.005 122.382 120.300 0.128 0.000 2.511 445 Y HA 0.054 4.628 4.550 0.040 0.000 0.347 445 Y C -1.687 174.267 175.900 0.090 0.000 1.257 445 Y CA -1.180 56.987 58.100 0.111 0.000 1.469 445 Y CB 0.096 38.619 38.460 0.104 0.000 1.353 445 Y HN 0.375 nan 8.280 nan 0.000 0.617 446 P HA -0.065 nan 4.420 nan 0.000 0.266 446 P C -0.690 176.680 177.300 0.118 0.000 1.195 446 P CA -0.130 63.061 63.100 0.152 0.000 0.768 446 P CB 0.417 32.191 31.700 0.123 0.000 0.838 447 E N 1.878 122.124 120.200 0.077 0.000 2.417 447 E HA 0.159 4.534 4.350 0.041 0.000 0.261 447 E C 1.053 177.666 176.600 0.021 0.000 1.000 447 E CA 0.838 57.264 56.400 0.043 0.000 0.919 447 E CB -0.492 29.223 29.700 0.025 0.000 0.955 447 E HN 0.769 nan 8.360 nan 0.000 0.455 448 G N 3.242 112.043 108.800 0.001 0.000 2.195 448 G HA2 -0.318 3.667 3.960 0.041 0.000 0.246 448 G HA3 -0.318 3.667 3.960 0.041 0.000 0.246 448 G C 0.204 175.099 174.900 -0.008 0.000 0.984 448 G CA 0.333 45.423 45.100 -0.016 0.000 0.633 448 G HN 0.826 nan 8.290 nan 0.000 0.525 449 S N 0.239 115.945 115.700 0.011 0.000 2.592 449 S HA 0.644 5.139 4.470 0.041 0.000 0.271 449 S C 1.512 176.092 174.600 -0.035 0.000 1.326 449 S CA 0.728 58.925 58.200 -0.005 0.000 1.024 449 S CB 1.775 64.984 63.200 0.015 0.000 0.921 449 S HN 0.660 nan 8.310 nan 0.000 0.527 450 S N 1.798 117.465 115.700 -0.054 0.000 2.400 450 S HA -0.143 4.352 4.470 0.041 0.000 0.232 450 S C 1.591 176.121 174.600 -0.116 0.000 1.025 450 S CA 1.756 59.917 58.200 -0.064 0.000 0.993 450 S CB -0.537 62.629 63.200 -0.057 0.000 0.808 450 S HN 0.852 nan 8.310 nan 0.000 0.478 451 E N 1.206 121.257 120.200 -0.249 0.000 2.106 451 E HA -0.078 4.297 4.350 0.041 0.000 0.192 451 E C 2.112 178.524 176.600 -0.313 0.000 0.984 451 E CA 0.711 56.789 56.400 -0.536 0.000 0.806 451 E CB -0.164 28.715 29.700 -1.368 0.000 0.750 451 E HN 0.416 nan 8.360 nan 0.000 0.458 452 E N 0.987 121.139 120.200 -0.081 0.000 2.051 452 E HA -0.198 4.177 4.350 0.041 0.000 0.192 452 E C 1.954 178.647 176.600 0.155 0.000 0.991 452 E CA 1.052 57.546 56.400 0.157 0.000 0.799 452 E CB 0.086 29.873 29.700 0.145 0.000 0.748 452 E HN 0.195 nan 8.360 nan 0.000 0.449 453 R N 0.255 120.797 120.500 0.070 0.000 2.090 453 R HA -0.067 4.298 4.340 0.041 0.000 0.228 453 R C 2.424 178.824 176.300 0.166 0.000 1.110 453 R CA 0.959 57.115 56.100 0.093 0.000 0.973 453 R CB -0.282 30.028 30.300 0.017 0.000 0.869 453 R HN 0.275 nan 8.270 nan 0.000 0.440 454 E N 0.894 121.150 120.200 0.093 0.000 2.106 454 E HA -0.138 4.237 4.350 0.041 0.000 0.192 454 E C 1.878 178.560 176.600 0.137 0.000 0.984 454 E CA 0.958 57.411 56.400 0.089 0.000 0.806 454 E CB 0.071 29.784 29.700 0.021 0.000 0.750 454 E HN 0.330 nan 8.360 nan 0.000 0.458 455 A N 0.564 123.496 122.820 0.187 0.000 1.930 455 A HA -0.154 4.190 4.320 0.041 0.000 0.217 455 A C 1.921 179.665 177.584 0.267 0.000 1.175 455 A CA 0.958 53.145 52.037 0.249 0.000 0.627 455 A CB -0.765 18.457 19.000 0.371 0.000 0.815 455 A HN 0.472 nan 8.150 nan 0.000 0.443 456 F N 1.250 121.298 119.950 0.164 0.000 2.171 456 F HA -0.131 4.420 4.527 0.040 0.000 0.300 456 F C 2.340 178.182 175.800 0.070 0.000 1.090 456 F CA 2.131 60.227 58.000 0.161 0.000 1.293 456 F CB -0.429 38.657 39.000 0.144 0.000 1.013 456 F HN 0.185 nan 8.300 nan 0.000 0.486 457 T N 0.408 115.084 114.554 0.204 0.000 2.777 457 T HA -0.175 4.199 4.350 0.041 0.000 0.266 457 T C 2.096 176.782 174.700 -0.023 0.000 1.040 457 T CA 1.440 63.588 62.100 0.079 0.000 1.141 457 T CB -0.290 68.656 68.868 0.131 0.000 0.868 457 T HN 0.251 nan 8.240 nan 0.000 0.444 458 R N 0.604 121.103 120.500 -0.002 0.000 2.115 458 R HA 0.053 4.418 4.340 0.041 0.000 0.230 458 R C 2.456 178.649 176.300 -0.178 0.000 1.111 458 R CA 1.138 57.227 56.100 -0.019 0.000 0.976 458 R CB -0.268 30.048 30.300 0.027 0.000 0.870 458 R HN 0.355 nan 8.270 nan 0.000 0.445 459 A N 1.123 123.754 122.820 -0.314 0.000 2.014 459 A HA -0.081 4.264 4.320 0.041 0.000 0.218 459 A C 0.981 178.148 177.584 -0.695 0.000 1.163 459 A CA 1.196 52.877 52.037 -0.593 0.000 0.652 459 A CB -0.077 18.424 19.000 -0.831 0.000 0.808 459 A HN 0.578 nan 8.150 nan 0.000 0.449 460 N N -1.322 117.005 118.700 -0.622 0.000 2.197 460 N HA 0.091 4.856 4.740 0.041 0.000 0.228 460 N C -0.623 174.628 175.510 -0.432 0.000 1.212 460 N CA -0.108 52.595 53.050 -0.579 0.000 0.883 460 N CB 0.251 38.490 38.487 -0.413 0.000 1.107 460 N HN 0.437 nan 8.380 nan 0.000 0.519 473 M N 2.403 122.055 119.600 0.086 0.000 2.228 473 M HA 0.694 5.199 4.480 0.041 0.000 0.351 473 M C 0.004 176.286 176.300 -0.030 0.000 1.233 473 M CA 0.289 55.585 55.300 -0.006 0.000 1.129 473 M CB 0.944 33.483 32.600 -0.101 0.000 1.604 473 M HN 0.628 nan 8.290 nan 0.000 0.457 474 A N 5.900 128.577 122.820 -0.239 0.000 2.572 474 A HA 0.851 5.196 4.320 0.041 0.000 0.295 474 A C -1.512 175.643 177.584 -0.714 0.000 1.072 474 A CA -0.849 50.782 52.037 -0.677 0.000 0.691 474 A CB 1.650 20.172 19.000 -0.795 0.000 1.291 474 A HN 0.873 nan 8.150 nan 0.000 0.404 475 M N 1.478 120.439 119.600 -1.064 0.000 2.378 475 M HA 0.659 5.164 4.480 0.041 0.000 0.289 475 M C -1.075 174.929 176.300 -0.495 0.000 1.136 475 M CA -0.413 54.533 55.300 -0.590 0.000 0.917 475 M CB 2.065 34.451 32.600 -0.357 0.000 1.669 475 M HN 0.987 nan 8.290 nan 0.000 0.461 476 R N 3.248 123.633 120.500 -0.191 0.000 2.734 476 R HA 0.642 5.007 4.340 0.041 0.000 0.271 476 R C -1.690 174.644 176.300 0.058 0.000 1.021 476 R CA -1.054 55.027 56.100 -0.031 0.000 0.893 476 R CB 1.099 31.402 30.300 0.005 0.000 1.244 476 R HN 0.487 nan 8.270 nan 0.000 0.464 477 I N 2.022 122.642 120.570 0.083 0.000 2.371 477 I HA 0.383 4.578 4.170 0.041 0.000 0.290 477 I C 0.456 176.649 176.117 0.126 0.000 1.028 477 I CA -0.338 61.029 61.300 0.112 0.000 1.345 477 I CB 0.782 38.841 38.000 0.098 0.000 1.407 477 I HN 0.561 nan 8.210 nan 0.000 0.501 478 R N 3.775 124.382 120.500 0.179 0.000 2.787 478 R HA 0.702 5.067 4.340 0.041 0.000 0.271 478 R C 0.196 176.670 176.300 0.291 0.000 0.993 478 R CA -0.570 55.629 56.100 0.166 0.000 0.993 478 R CB 2.522 32.866 30.300 0.073 0.000 1.155 478 R HN 0.433 nan 8.270 nan 0.000 0.486 479 V N -0.850 119.204 119.914 0.233 0.000 3.102 479 V HA 0.233 4.378 4.120 0.041 0.000 0.225 479 V C 1.109 177.363 176.094 0.267 0.000 1.301 479 V CA 0.598 63.068 62.300 0.284 0.000 1.308 479 V CB 0.254 32.165 31.823 0.147 0.000 1.129 479 V HN 1.085 nan 8.190 nan 0.000 0.502 480 G N 0.866 109.735 108.800 0.115 0.000 2.225 480 G HA2 -0.235 3.749 3.960 0.041 0.000 0.254 480 G HA3 -0.235 3.749 3.960 0.041 0.000 0.254 480 G C 0.256 175.184 174.900 0.048 0.000 0.988 480 G CA 0.763 45.894 45.100 0.051 0.000 0.625 480 G HN 0.869 nan 8.290 nan 0.000 0.527 481 Q N 0.367 120.201 119.800 0.056 0.000 2.814 481 Q HA 0.625 4.990 4.340 0.041 0.000 0.322 481 Q C 0.059 176.046 176.000 -0.021 0.000 0.888 481 Q CA 0.338 56.154 55.803 0.022 0.000 0.768 481 Q CB 0.410 29.170 28.738 0.038 0.000 1.443 481 Q HN 1.119 nan 8.270 nan 0.000 0.497 482 S N 0.476 116.155 115.700 -0.035 0.000 2.572 482 S HA 0.498 4.993 4.470 0.041 0.000 0.279 482 S C 0.182 174.684 174.600 -0.163 0.000 1.341 482 S CA -0.317 57.840 58.200 -0.072 0.000 1.043 482 S CB 0.043 63.216 63.200 -0.045 0.000 0.887 482 S HN 0.526 nan 8.310 nan 0.000 0.516 483 M N 3.212 122.664 119.600 -0.247 0.000 2.181 483 M HA 0.417 4.921 4.480 0.041 0.000 0.323 483 M C -0.863 175.241 176.300 -0.327 0.000 1.004 483 M CA -0.497 54.503 55.300 -0.500 0.000 0.941 483 M CB 1.539 33.690 32.600 -0.750 0.000 1.579 483 M HN 0.645 nan 8.290 nan 0.000 0.427 484 N N 3.028 121.579 118.700 -0.249 0.000 2.284 484 N HA 0.420 5.185 4.740 0.041 0.000 0.300 484 N C -1.037 174.453 175.510 -0.033 0.000 1.047 484 N CA -0.714 52.268 53.050 -0.114 0.000 0.821 484 N CB 2.008 40.462 38.487 -0.056 0.000 1.337 484 N HN 0.618 nan 8.380 nan 0.000 0.482 485 M N 1.585 121.164 119.600 -0.035 0.000 2.356 485 M HA 0.246 4.751 4.480 0.041 0.000 0.348 485 M C 1.038 177.390 176.300 0.086 0.000 1.595 485 M CA 0.862 56.206 55.300 0.073 0.000 1.095 485 M CB -0.789 31.823 32.600 0.020 0.000 1.963 485 M HN 0.856 nan 8.290 nan 0.000 0.459 486 G N 2.510 111.424 108.800 0.190 0.000 2.218 486 G HA2 -0.186 3.799 3.960 0.041 0.000 0.216 486 G HA3 -0.186 3.799 3.960 0.041 0.000 0.216 486 G C 0.064 174.903 174.900 -0.101 0.000 0.994 486 G CA 0.171 45.136 45.100 -0.226 0.000 0.637 486 G HN 1.188 nan 8.290 nan 0.000 0.505 487 S N 0.539 116.349 115.700 0.182 0.000 2.617 487 S HA 0.667 5.161 4.470 0.041 0.000 0.283 487 S C -0.678 174.168 174.600 0.409 0.000 1.189 487 S CA -0.466 57.864 58.200 0.217 0.000 1.036 487 S CB 2.135 65.444 63.200 0.182 0.000 1.014 487 S HN 0.137 nan 8.310 nan 0.000 0.522 488 D N 1.895 122.456 120.400 0.267 0.000 2.210 488 D HA 0.584 5.249 4.640 0.041 0.000 0.249 488 D C -0.402 176.056 176.300 0.264 0.000 1.078 488 D CA 0.061 54.181 54.000 0.199 0.000 0.875 488 D CB 0.929 41.777 40.800 0.081 0.000 1.175 488 D HN 0.614 nan 8.370 nan 0.000 0.440 489 F N -1.426 118.568 119.950 0.074 0.000 2.668 489 F HA 0.440 4.990 4.527 0.039 0.000 0.309 489 F C -0.960 174.819 175.800 -0.036 0.000 1.117 489 F CA -1.210 56.805 58.000 0.025 0.000 0.951 489 F CB 1.283 40.301 39.000 0.030 0.000 1.323 489 F HN -0.126 nan 8.300 nan 0.000 0.451 490 D N 2.099 122.514 120.400 0.025 0.000 2.175 490 D HA 0.503 5.168 4.640 0.041 0.000 0.248 490 D C -0.285 175.872 176.300 -0.238 0.000 1.047 490 D CA -0.123 53.720 54.000 -0.262 0.000 0.883 490 D CB 2.252 42.797 40.800 -0.424 0.000 1.180 490 D HN 0.665 nan 8.370 nan 0.000 0.438 491 V N -0.962 118.730 119.914 -0.370 0.000 2.881 491 V HA 0.771 4.915 4.120 0.041 0.000 0.316 491 V C -0.788 174.993 176.094 -0.521 0.000 1.070 491 V CA -0.748 61.414 62.300 -0.230 0.000 0.976 491 V CB 1.413 33.229 31.823 -0.012 0.000 1.038 491 V HN 0.301 nan 8.190 nan 0.000 0.446 492 F N 0.771 120.759 119.950 0.063 0.000 2.556 492 F HA 0.791 5.342 4.527 0.041 0.000 0.314 492 F C 0.454 176.285 175.800 0.052 0.000 1.106 492 F CA -0.605 57.427 58.000 0.052 0.000 0.911 492 F CB 2.088 41.123 39.000 0.059 0.000 1.190 492 F HN 0.831 nan 8.300 nan 0.000 0.448 493 A N 1.707 124.650 122.820 0.205 0.000 2.350 493 A HA 0.311 4.656 4.320 0.041 0.000 0.293 493 A C -0.981 176.692 177.584 0.149 0.000 1.231 493 A CA -0.193 51.917 52.037 0.122 0.000 0.883 493 A CB -0.606 18.420 19.000 0.044 0.000 1.133 493 A HN 0.784 nan 8.150 nan 0.000 0.533 494 H N 3.096 122.179 119.070 0.023 0.000 2.741 494 H HA 0.536 5.116 4.556 0.040 0.000 0.282 494 H C -0.707 174.566 175.328 -0.093 0.000 1.122 494 H CA -0.459 55.572 56.048 -0.028 0.000 1.293 494 H CB -0.086 29.651 29.762 -0.043 0.000 1.415 494 H HN 0.531 nan 8.280 nan 0.000 0.472 495 I N 4.739 125.069 120.570 -0.400 0.000 2.336 495 I HA 0.217 4.412 4.170 0.041 0.000 0.292 495 I C 0.044 175.895 176.117 -0.443 0.000 0.991 495 I CA -0.355 60.729 61.300 -0.360 0.000 1.227 495 I CB 1.730 39.603 38.000 -0.212 0.000 1.366 495 I HN 0.515 nan 8.210 nan 0.000 0.466 496 T N 4.611 118.940 114.554 -0.375 0.000 2.797 496 T HA 0.270 4.645 4.350 0.041 0.000 0.279 496 T C -0.327 174.291 174.700 -0.137 0.000 0.991 496 T CA -0.577 61.371 62.100 -0.254 0.000 0.979 496 T CB 0.897 69.637 68.868 -0.213 0.000 0.943 496 T HN 0.424 nan 8.240 nan 0.000 0.444 497 N N 2.665 121.327 118.700 -0.062 0.000 2.626 497 N HA 0.207 4.972 4.740 0.041 0.000 0.242 497 N C -0.039 175.494 175.510 0.037 0.000 1.005 497 N CA -0.572 52.478 53.050 0.000 0.000 0.905 497 N CB 0.674 39.176 38.487 0.025 0.000 1.128 497 N HN 0.402 nan 8.380 nan 0.000 0.512 498 N N 1.657 120.404 118.700 0.079 0.000 2.313 498 N HA 0.027 4.791 4.740 0.041 0.000 0.207 498 N C -0.331 175.300 175.510 0.202 0.000 1.141 498 N CA -0.014 53.153 53.050 0.196 0.000 0.830 498 N CB 0.246 38.833 38.487 0.168 0.000 1.008 498 N HN 0.635 nan 8.380 nan 0.000 0.481 499 T N -4.826 109.684 114.554 -0.073 0.000 2.937 499 T HA 0.609 4.984 4.350 0.041 0.000 0.283 499 T C 1.032 175.104 174.700 -1.046 0.000 1.012 499 T CA -0.473 61.475 62.100 -0.254 0.000 0.997 499 T CB 1.502 70.320 68.868 -0.082 0.000 1.136 499 T HN -0.028 nan 8.240 nan 0.000 0.551 500 A N -0.171 122.173 122.820 -0.795 0.000 2.251 500 A HA 0.301 4.646 4.320 0.041 0.000 0.209 500 A C 0.706 177.978 177.584 -0.521 0.000 1.187 500 A CA 0.044 51.574 52.037 -0.845 0.000 0.823 500 A CB -0.570 18.320 19.000 -0.182 0.000 0.846 500 A HN 0.846 nan 8.150 nan 0.000 0.486 501 E N 0.004 119.912 120.200 -0.488 0.000 2.202 501 E HA 0.354 4.728 4.350 0.041 0.000 0.272 501 E C -0.477 175.785 176.600 -0.562 0.000 0.951 501 E CA -0.577 55.538 56.400 -0.475 0.000 0.813 501 E CB 1.296 30.691 29.700 -0.508 0.000 1.151 501 E HN 0.443 nan 8.360 nan 0.000 0.398 502 E N 1.703 121.639 120.200 -0.440 0.000 2.366 502 E HA 0.128 4.502 4.350 0.041 0.000 0.266 502 E C -1.332 174.983 176.600 -0.475 0.000 1.051 502 E CA -0.062 56.135 56.400 -0.339 0.000 0.884 502 E CB 0.607 30.190 29.700 -0.195 0.000 1.006 502 E HN 0.412 nan 8.360 nan 0.000 0.417 503 Y N 1.455 121.695 120.300 -0.100 0.000 2.442 503 Y HA 0.376 4.952 4.550 0.044 0.000 0.344 503 Y C -0.767 175.079 175.900 -0.090 0.000 0.976 503 Y CA -1.141 56.899 58.100 -0.099 0.000 1.040 503 Y CB 2.152 40.548 38.460 -0.106 0.000 1.228 503 Y HN 0.212 nan 8.280 nan 0.000 0.451 504 V N 3.170 123.144 119.914 0.100 0.000 2.409 504 V HA 0.482 4.627 4.120 0.041 0.000 0.291 504 V C -0.491 175.599 176.094 -0.007 0.000 1.020 504 V CA -0.720 61.593 62.300 0.021 0.000 0.848 504 V CB 0.885 32.705 31.823 -0.005 0.000 0.990 504 V HN 0.857 nan 8.190 nan 0.000 0.430 505 C N 4.505 123.780 119.300 -0.042 0.000 2.971 505 C HA 0.686 5.171 4.460 0.041 0.000 0.310 505 C C 0.038 174.973 174.990 -0.092 0.000 1.285 505 C CA -1.092 57.876 59.018 -0.084 0.000 1.593 505 C CB 2.342 30.011 27.740 -0.117 0.000 2.076 505 C HN 0.845 nan 8.230 nan 0.000 0.472 506 R N 1.058 121.504 120.500 -0.090 0.000 2.474 506 R HA 0.750 5.115 4.340 0.041 0.000 0.295 506 R C -1.313 174.925 176.300 -0.104 0.000 0.980 506 R CA -0.607 55.439 56.100 -0.089 0.000 0.934 506 R CB 1.294 31.647 30.300 0.089 0.000 1.101 506 R HN 0.514 nan 8.270 nan 0.000 0.469 507 L N 3.064 124.195 121.223 -0.153 0.000 2.385 507 L HA 0.463 4.828 4.340 0.041 0.000 0.273 507 L C -1.389 175.495 176.870 0.024 0.000 0.990 507 L CA -0.576 54.215 54.840 -0.082 0.000 0.821 507 L CB 1.857 43.858 42.059 -0.096 0.000 1.279 507 L HN 0.552 nan 8.230 nan 0.000 0.412 508 L N 5.865 127.147 121.223 0.098 0.000 2.325 508 L HA 0.582 4.947 4.340 0.041 0.000 0.281 508 L C -1.700 175.217 176.870 0.077 0.000 1.004 508 L CA -0.839 54.111 54.840 0.184 0.000 0.823 508 L CB 1.739 43.925 42.059 0.212 0.000 1.236 508 L HN 0.683 nan 8.230 nan 0.000 0.415 509 L N 6.977 128.241 121.223 0.069 0.000 2.372 509 L HA 0.661 5.025 4.340 0.041 0.000 0.274 509 L C -0.696 176.191 176.870 0.028 0.000 0.988 509 L CA -0.229 54.631 54.840 0.033 0.000 0.833 509 L CB 1.215 43.282 42.059 0.014 0.000 1.236 509 L HN 0.775 nan 8.230 nan 0.000 0.410 510 C N 2.376 121.689 119.300 0.021 0.000 3.291 510 C HA 1.037 5.522 4.460 0.041 0.000 0.316 510 C C -0.358 174.634 174.990 0.004 0.000 1.391 510 C CA -0.336 58.689 59.018 0.010 0.000 1.394 510 C CB 1.123 28.874 27.740 0.018 0.000 1.744 510 C HN 1.238 nan 8.230 nan 0.000 0.461 511 A N 1.348 124.165 122.820 -0.006 0.000 2.414 511 A HA 0.961 5.306 4.320 0.041 0.000 0.306 511 A C -0.710 176.874 177.584 -0.000 0.000 1.054 511 A CA -0.569 51.465 52.037 -0.005 0.000 0.724 511 A CB 1.196 20.181 19.000 -0.025 0.000 1.267 511 A HN 0.949 nan 8.150 nan 0.000 0.418 512 R N 0.264 120.767 120.500 0.005 0.000 2.725 512 R HA 0.598 4.963 4.340 0.041 0.000 0.277 512 R C -0.235 176.067 176.300 0.003 0.000 0.987 512 R CA -0.488 55.615 56.100 0.006 0.000 0.901 512 R CB 2.163 32.468 30.300 0.008 0.000 1.207 512 R HN 0.889 nan 8.270 nan 0.000 0.463 513 T N -1.373 113.183 114.554 0.003 0.000 2.856 513 T HA 0.358 4.732 4.350 0.041 0.000 0.306 513 T C 0.046 174.740 174.700 -0.010 0.000 1.062 513 T CA -0.555 61.540 62.100 -0.009 0.000 1.083 513 T CB 1.192 70.059 68.868 -0.002 0.000 0.984 513 T HN 0.247 nan 8.240 nan 0.000 0.542 514 V N 0.978 120.877 119.914 -0.025 0.000 2.932 514 V HA 0.559 4.704 4.120 0.041 0.000 0.307 514 V C -0.176 175.891 176.094 -0.046 0.000 1.147 514 V CA -0.713 61.577 62.300 -0.017 0.000 0.951 514 V CB 2.529 34.353 31.823 0.002 0.000 1.031 514 V HN 1.208 nan 8.190 nan 0.000 0.426 515 S N 3.584 119.272 115.700 -0.019 0.000 2.632 515 S HA 0.339 4.833 4.470 0.041 0.000 0.267 515 S C 0.423 175.036 174.600 0.021 0.000 1.276 515 S CA -0.147 58.042 58.200 -0.019 0.000 0.998 515 S CB 0.729 63.946 63.200 0.030 0.000 0.953 515 S HN 0.766 nan 8.310 nan 0.000 0.547 516 Y N 2.099 122.426 120.300 0.044 0.000 2.256 516 Y HA -0.123 4.449 4.550 0.038 0.000 0.288 516 Y C 2.068 177.987 175.900 0.033 0.000 1.155 516 Y CA 1.440 59.566 58.100 0.044 0.000 1.203 516 Y CB -0.434 38.053 38.460 0.045 0.000 0.980 516 Y HN 0.654 nan 8.280 nan 0.000 0.530 517 N N -0.792 118.018 118.700 0.184 0.000 2.370 517 N HA 0.137 4.902 4.740 0.041 0.000 0.198 517 N C 1.269 176.827 175.510 0.080 0.000 1.156 517 N CA 0.807 53.923 53.050 0.110 0.000 0.839 517 N CB -0.109 38.428 38.487 0.083 0.000 0.989 517 N HN 0.257 nan 8.380 nan 0.000 0.468 518 G N 0.068 108.916 108.800 0.080 0.000 2.132 518 G HA2 -0.240 3.745 3.960 0.041 0.000 0.234 518 G HA3 -0.240 3.745 3.960 0.041 0.000 0.234 518 G C -0.349 174.576 174.900 0.043 0.000 0.989 518 G CA -0.111 45.025 45.100 0.058 0.000 0.676 518 G HN 0.395 nan 8.290 nan 0.000 0.522 519 I N 1.427 122.020 120.570 0.039 0.000 2.337 519 I HA 0.289 4.484 4.170 0.041 0.000 0.291 519 I C 1.061 177.190 176.117 0.021 0.000 1.046 519 I CA -0.598 60.719 61.300 0.029 0.000 1.324 519 I CB 0.926 38.943 38.000 0.028 0.000 1.409 519 I HN -0.012 nan 8.210 nan 0.000 0.494 520 L N 6.468 127.703 121.223 0.020 0.000 2.418 520 L HA 0.258 4.622 4.340 0.041 0.000 0.274 520 L C 1.050 177.926 176.870 0.011 0.000 1.135 520 L CA 0.016 54.865 54.840 0.015 0.000 0.870 520 L CB 0.536 42.606 42.059 0.018 0.000 1.154 520 L HN 0.736 nan 8.230 nan 0.000 0.462 521 G N 4.507 113.311 108.800 0.007 0.000 2.583 521 G HA2 0.500 4.484 3.960 0.041 0.000 0.280 521 G HA3 0.500 4.484 3.960 0.041 0.000 0.280 521 G C -2.672 172.230 174.900 0.004 0.000 1.376 521 G CA -1.103 43.999 45.100 0.005 0.000 1.043 521 G HN 0.364 nan 8.290 nan 0.000 0.538 522 P HA 0.094 nan 4.420 nan 0.000 0.269 522 P C -0.029 177.270 177.300 -0.000 0.000 1.215 522 P CA -0.331 62.768 63.100 -0.002 0.000 0.780 522 P CB 0.580 32.275 31.700 -0.008 0.000 0.898 523 E N 1.684 121.882 120.200 -0.004 0.000 2.452 523 E HA -0.044 4.331 4.350 0.041 0.000 0.261 523 E C -0.367 176.230 176.600 -0.006 0.000 0.987 523 E CA 0.203 56.600 56.400 -0.005 0.000 0.926 523 E CB 0.178 29.872 29.700 -0.009 0.000 0.934 523 E HN 0.606 nan 8.360 nan 0.000 0.452 524 C N 2.448 121.747 119.300 -0.001 0.000 2.859 524 C HA 0.779 5.263 4.460 0.041 0.000 0.256 524 C C 0.427 175.405 174.990 -0.020 0.000 1.660 524 C CA -0.121 58.899 59.018 0.003 0.000 1.755 524 C CB -0.931 26.847 27.740 0.062 0.000 3.127 524 C HN 0.672 nan 8.230 nan 0.000 0.494 525 G N 0.207 108.990 108.800 -0.029 0.000 2.277 525 G HA2 0.459 4.443 3.960 0.041 0.000 0.272 525 G HA3 0.459 4.443 3.960 0.041 0.000 0.272 525 G C -1.150 173.734 174.900 -0.027 0.000 1.692 525 G CA -0.181 44.893 45.100 -0.042 0.000 0.926 525 G HN 0.309 nan 8.290 nan 0.000 0.720 526 T N 1.006 115.548 114.554 -0.019 0.000 2.956 526 T HA 0.684 5.058 4.350 0.041 0.000 0.312 526 T C -0.790 173.920 174.700 0.016 0.000 1.151 526 T CA -0.765 61.338 62.100 0.004 0.000 1.024 526 T CB 2.226 71.101 68.868 0.011 0.000 1.140 526 T HN 0.762 nan 8.240 nan 0.000 0.473 527 K N 2.387 122.811 120.400 0.039 0.000 2.507 527 K HA 0.511 4.856 4.320 0.041 0.000 0.251 527 K C -2.017 174.654 176.600 0.118 0.000 0.943 527 K CA -0.789 55.529 56.287 0.051 0.000 0.794 527 K CB 1.912 34.416 32.500 0.007 0.000 1.188 527 K HN 0.742 nan 8.250 nan 0.000 0.428 528 Y N 4.788 125.086 120.300 -0.002 0.000 2.364 528 Y HA 0.492 5.067 4.550 0.041 0.000 0.340 528 Y C -1.587 174.318 175.900 0.007 0.000 0.975 528 Y CA -0.916 57.190 58.100 0.010 0.000 1.089 528 Y CB 1.229 39.695 38.460 0.010 0.000 1.192 528 Y HN 0.528 nan 8.280 nan 0.000 0.454 529 L N 7.877 128.690 121.223 -0.684 0.000 2.388 529 L HA 0.205 4.569 4.340 0.041 0.000 0.267 529 L C 0.616 177.020 176.870 -0.776 0.000 0.995 529 L CA -0.426 54.083 54.840 -0.551 0.000 0.864 529 L CB 1.497 43.394 42.059 -0.271 0.000 1.216 529 L HN 0.807 nan 8.230 nan 0.000 0.430 530 L N 2.881 123.692 121.223 -0.686 0.000 2.079 530 L HA -0.111 4.254 4.340 0.041 0.000 0.210 530 L C 0.404 177.170 176.870 -0.174 0.000 1.081 530 L CA 2.030 56.669 54.840 -0.336 0.000 0.752 530 L CB -0.144 41.878 42.059 -0.062 0.000 0.896 530 L HN 0.741 nan 8.230 nan 0.000 0.433 531 N N -0.261 118.348 118.700 -0.153 0.000 2.757 531 N HA 0.213 4.977 4.740 0.041 0.000 0.296 531 N C -0.518 174.941 175.510 -0.085 0.000 1.874 531 N CA -0.202 52.795 53.050 -0.087 0.000 0.885 531 N CB 0.956 39.408 38.487 -0.058 0.000 1.242 531 N HN 0.120 nan 8.380 nan 0.000 0.488 532 L N 1.450 122.615 121.223 -0.097 0.000 2.315 532 L HA 0.274 4.638 4.340 0.041 0.000 0.283 532 L C -0.178 176.663 176.870 -0.048 0.000 1.089 532 L CA 0.268 55.063 54.840 -0.075 0.000 0.833 532 L CB 0.716 42.722 42.059 -0.088 0.000 1.170 532 L HN 0.188 nan 8.230 nan 0.000 0.442 533 T N 6.449 120.982 114.554 -0.036 0.000 2.744 533 T HA 0.394 4.768 4.350 0.041 0.000 0.291 533 T C -0.033 174.657 174.700 -0.017 0.000 0.957 533 T CA -0.212 61.874 62.100 -0.022 0.000 1.002 533 T CB 0.500 69.353 68.868 -0.025 0.000 0.919 533 T HN 0.381 nan 8.240 nan 0.000 0.468 534 L N 4.061 125.286 121.223 0.005 0.000 2.277 534 L HA 0.396 4.761 4.340 0.041 0.000 0.284 534 L C 0.623 177.486 176.870 -0.012 0.000 1.028 534 L CA -0.644 54.201 54.840 0.007 0.000 0.835 534 L CB 1.083 43.166 42.059 0.041 0.000 1.215 534 L HN 0.627 nan 8.230 nan 0.000 0.425 535 E N 6.147 126.328 120.200 -0.032 0.000 2.398 535 E HA 0.158 4.532 4.350 0.041 0.000 0.263 535 E C -2.159 174.388 176.600 -0.088 0.000 1.046 535 E CA -1.517 54.849 56.400 -0.056 0.000 0.908 535 E CB 0.766 30.448 29.700 -0.030 0.000 0.963 535 E HN 0.196 nan 8.360 nan 0.000 0.431 536 P HA -0.164 nan 4.420 nan 0.000 0.266 536 P C -0.465 176.751 177.300 -0.141 0.000 1.180 536 P CA 0.774 63.694 63.100 -0.300 0.000 0.765 536 P CB -0.053 31.458 31.700 -0.314 0.000 0.806 537 F N -1.044 118.898 119.950 -0.014 0.000 2.861 537 F HA -0.268 4.284 4.527 0.041 0.000 0.230 537 F C 0.928 176.720 175.800 -0.013 0.000 1.020 537 F CA 0.767 58.761 58.000 -0.009 0.000 0.852 537 F CB -1.923 37.071 39.000 -0.011 0.000 0.724 537 F HN 0.363 nan 8.300 nan 0.000 0.843 538 S N -0.769 114.986 115.700 0.091 0.000 2.661 538 S HA 0.867 5.362 4.470 0.041 0.000 0.285 538 S C -0.713 173.885 174.600 -0.004 0.000 1.138 538 S CA -0.466 57.760 58.200 0.043 0.000 0.855 538 S CB 3.265 66.475 63.200 0.017 0.000 1.136 538 S HN 0.391 nan 8.310 nan 0.000 0.484 539 E N 0.137 120.322 120.200 -0.025 0.000 2.393 539 E HA 0.680 5.054 4.350 0.041 0.000 0.273 539 E C -1.657 174.900 176.600 -0.072 0.000 0.918 539 E CA -1.162 55.179 56.400 -0.097 0.000 0.773 539 E CB 1.858 31.488 29.700 -0.116 0.000 1.275 539 E HN 0.613 nan 8.360 nan 0.000 0.451 540 K N 0.617 120.943 120.400 -0.122 0.000 2.464 540 K HA 0.425 4.770 4.320 0.041 0.000 0.253 540 K C -1.429 175.175 176.600 0.006 0.000 0.933 540 K CA -1.023 55.240 56.287 -0.040 0.000 0.801 540 K CB 2.465 34.944 32.500 -0.036 0.000 1.271 540 K HN 0.493 nan 8.250 nan 0.000 0.430 541 S N 1.651 117.407 115.700 0.093 0.000 2.532 541 S HA 0.226 4.720 4.470 0.041 0.000 0.318 541 S C -0.319 174.435 174.600 0.257 0.000 1.083 541 S CA -0.791 57.511 58.200 0.171 0.000 1.131 541 S CB 0.756 63.928 63.200 -0.047 0.000 0.973 541 S HN 0.280 nan 8.310 nan 0.000 0.468 542 V N 5.871 125.924 119.914 0.231 0.000 2.389 542 V HA 0.322 4.467 4.120 0.041 0.000 0.264 542 V C -2.017 174.194 176.094 0.196 0.000 1.049 542 V CA -1.836 60.567 62.300 0.173 0.000 0.932 542 V CB 0.208 32.069 31.823 0.064 0.000 1.011 542 V HN 0.552 nan 8.190 nan 0.000 0.475 543 P HA 0.500 nan 4.420 nan 0.000 0.284 543 P C -1.057 176.138 177.300 -0.175 0.000 1.258 543 P CA -0.649 62.335 63.100 -0.192 0.000 0.824 543 P CB 2.035 33.645 31.700 -0.151 0.000 1.038 544 L N 3.049 124.110 121.223 -0.270 0.000 2.409 544 L HA 0.462 4.827 4.340 0.041 0.000 0.272 544 L C -1.157 175.567 176.870 -0.243 0.000 0.980 544 L CA -0.858 53.871 54.840 -0.185 0.000 0.826 544 L CB 1.476 43.458 42.059 -0.129 0.000 1.268 544 L HN 0.438 nan 8.230 nan 0.000 0.407 545 C N 6.717 125.902 119.300 -0.192 0.000 2.482 545 C HA 0.530 5.015 4.460 0.041 0.000 0.378 545 C C 0.107 174.956 174.990 -0.236 0.000 1.284 545 C CA -0.716 58.177 59.018 -0.208 0.000 1.826 545 C CB -0.998 26.664 27.740 -0.130 0.000 2.473 545 C HN 0.581 nan 8.230 nan 0.000 0.562 546 I N 8.476 128.807 120.570 -0.399 0.000 2.291 546 I HA 0.310 4.505 4.170 0.041 0.000 0.290 546 I C 0.230 176.196 176.117 -0.252 0.000 1.050 546 I CA -0.116 60.930 61.300 -0.424 0.000 1.245 546 I CB 0.458 37.890 38.000 -0.946 0.000 1.405 546 I HN 0.548 nan 8.210 nan 0.000 0.478 547 L N 5.583 126.751 121.223 -0.091 0.000 2.325 547 L HA 0.237 4.602 4.340 0.041 0.000 0.279 547 L C 1.202 177.948 176.870 -0.207 0.000 1.054 547 L CA -0.673 54.122 54.840 -0.075 0.000 0.804 547 L CB 1.162 43.167 42.059 -0.091 0.000 1.200 547 L HN 0.485 nan 8.230 nan 0.000 0.436 548 Y N 1.773 121.843 120.300 -0.383 0.000 2.145 548 Y HA -0.231 4.344 4.550 0.042 0.000 0.286 548 Y C 2.165 177.660 175.900 -0.675 0.000 1.145 548 Y CA 1.722 59.300 58.100 -0.870 0.000 1.148 548 Y CB 0.174 38.399 38.460 -0.391 0.000 0.981 548 Y HN 0.608 nan 8.280 nan 0.000 0.507 549 E N 0.375 120.318 120.200 -0.429 0.000 2.209 549 E HA -0.184 4.191 4.350 0.041 0.000 0.196 549 E C 1.884 178.259 176.600 -0.375 0.000 0.993 549 E CA 1.142 57.307 56.400 -0.391 0.000 0.819 549 E CB -0.084 29.523 29.700 -0.154 0.000 0.745 549 E HN 0.492 nan 8.360 nan 0.000 0.477 550 K N 0.106 120.308 120.400 -0.330 0.000 2.166 550 K HA -0.041 4.304 4.320 0.041 0.000 0.201 550 K C 2.141 178.644 176.600 -0.161 0.000 1.052 550 K CA 0.722 56.891 56.287 -0.197 0.000 0.969 550 K CB -0.299 32.139 32.500 -0.104 0.000 0.761 550 K HN 0.336 nan 8.250 nan 0.000 0.459 551 Y N 1.201 121.398 120.300 -0.172 0.000 2.510 551 Y HA 0.123 4.697 4.550 0.041 0.000 0.273 551 Y C 1.891 177.671 175.900 -0.200 0.000 1.119 551 Y CA -0.188 57.829 58.100 -0.139 0.000 1.286 551 Y CB -0.490 37.931 38.460 -0.066 0.000 1.061 551 Y HN -0.072 nan 8.280 nan 0.000 0.542 552 R N 1.771 121.891 120.500 -0.633 0.000 2.097 552 R HA -0.233 4.132 4.340 0.041 0.000 0.236 552 R C 1.581 177.747 176.300 -0.223 0.000 1.135 552 R CA 2.218 57.950 56.100 -0.613 0.000 0.934 552 R CB -1.584 27.905 30.300 -1.352 0.000 0.846 552 R HN 0.526 nan 8.270 nan 0.000 0.431 553 D N 0.801 121.077 120.400 -0.206 0.000 2.269 553 D HA -0.104 4.560 4.640 0.041 0.000 0.208 553 D C 1.105 177.375 176.300 -0.050 0.000 0.963 553 D CA 1.092 55.029 54.000 -0.105 0.000 0.864 553 D CB -0.253 40.486 40.800 -0.101 0.000 0.936 553 D HN 0.590 nan 8.370 nan 0.000 0.505 554 C N -0.079 119.200 119.300 -0.035 0.000 2.881 554 C HA 0.660 5.145 4.460 0.041 0.000 0.290 554 C C 0.216 175.214 174.990 0.012 0.000 1.362 554 C CA -1.123 57.889 59.018 -0.010 0.000 1.757 554 C CB -1.646 26.087 27.740 -0.012 0.000 2.265 554 C HN 0.188 nan 8.230 nan 0.000 0.600 555 L N 2.962 124.203 121.223 0.029 0.000 2.317 555 L HA 0.662 5.027 4.340 0.041 0.000 0.281 555 L C 0.528 177.404 176.870 0.009 0.000 1.024 555 L CA 0.284 55.145 54.840 0.035 0.000 0.810 555 L CB 1.717 43.840 42.059 0.106 0.000 1.240 555 L HN 0.458 nan 8.230 nan 0.000 0.427 556 T N 0.172 114.711 114.554 -0.024 0.000 2.860 556 T HA 0.183 4.557 4.350 0.041 0.000 0.299 556 T C 0.760 175.434 174.700 -0.043 0.000 1.045 556 T CA -0.544 61.535 62.100 -0.034 0.000 1.071 556 T CB 0.598 69.426 68.868 -0.067 0.000 0.985 556 T HN 0.657 nan 8.240 nan 0.000 0.537 557 E N 0.890 121.083 120.200 -0.011 0.000 2.515 557 E HA -0.055 4.320 4.350 0.041 0.000 0.201 557 E C 1.788 178.383 176.600 -0.008 0.000 1.071 557 E CA 0.370 56.778 56.400 0.014 0.000 0.880 557 E CB -0.185 29.548 29.700 0.054 0.000 0.828 557 E HN 0.691 nan 8.360 nan 0.000 0.540 558 S N 0.915 116.520 115.700 -0.160 0.000 2.489 558 S HA -0.066 4.429 4.470 0.041 0.000 0.228 558 S C 0.590 174.984 174.600 -0.344 0.000 0.995 558 S CA 0.150 58.030 58.200 -0.534 0.000 0.934 558 S CB 0.061 62.567 63.200 -1.157 0.000 0.771 558 S HN 0.257 nan 8.310 nan 0.000 0.522 559 N N 0.076 118.640 118.700 -0.227 0.000 2.782 559 N HA -0.122 4.643 4.740 0.041 0.000 0.251 559 N C -1.003 174.356 175.510 -0.253 0.000 1.101 559 N CA 0.477 53.376 53.050 -0.252 0.000 0.764 559 N CB -1.825 36.409 38.487 -0.422 0.000 1.122 559 N HN 0.389 nan 8.380 nan 0.000 0.561 560 L N 0.526 121.629 121.223 -0.199 0.000 2.307 560 L HA 0.573 4.938 4.340 0.041 0.000 0.282 560 L C 0.420 177.235 176.870 -0.092 0.000 1.051 560 L CA -0.461 54.305 54.840 -0.122 0.000 0.804 560 L CB 1.284 43.272 42.059 -0.118 0.000 1.197 560 L HN 0.014 nan 8.230 nan 0.000 0.431 561 I N 3.138 123.675 120.570 -0.055 0.000 2.447 561 I HA 0.296 4.491 4.170 0.041 0.000 0.287 561 I C -0.323 175.801 176.117 0.012 0.000 1.023 561 I CA -0.664 60.619 61.300 -0.028 0.000 1.083 561 I CB 2.093 40.073 38.000 -0.033 0.000 1.245 561 I HN 0.541 nan 8.210 nan 0.000 0.434 562 K N 6.183 126.592 120.400 0.015 0.000 2.248 562 K HA 0.526 4.870 4.320 0.041 0.000 0.281 562 K C -1.139 175.480 176.600 0.031 0.000 1.054 562 K CA -0.414 55.891 56.287 0.030 0.000 0.903 562 K CB 1.167 33.685 32.500 0.029 0.000 1.077 562 K HN 0.392 nan 8.250 nan 0.000 0.474 563 V N 5.413 125.353 119.914 0.043 0.000 2.427 563 V HA 0.451 4.596 4.120 0.041 0.000 0.286 563 V C -0.063 176.058 176.094 0.045 0.000 1.034 563 V CA -0.682 61.642 62.300 0.040 0.000 0.893 563 V CB 1.351 33.205 31.823 0.051 0.000 0.982 563 V HN 0.785 nan 8.190 nan 0.000 0.452 564 R N 2.548 123.071 120.500 0.037 0.000 2.575 564 R HA 0.809 5.174 4.340 0.041 0.000 0.293 564 R C -0.911 175.411 176.300 0.036 0.000 0.983 564 R CA -0.475 55.649 56.100 0.041 0.000 0.887 564 R CB 2.352 32.675 30.300 0.037 0.000 1.184 564 R HN 0.825 nan 8.270 nan 0.000 0.445 565 A N 2.747 125.589 122.820 0.037 0.000 2.365 565 A HA 0.718 5.063 4.320 0.041 0.000 0.318 565 A C -1.646 175.946 177.584 0.013 0.000 1.091 565 A CA -0.598 51.452 52.037 0.023 0.000 0.763 565 A CB 1.503 20.513 19.000 0.016 0.000 1.248 565 A HN 0.492 nan 8.150 nan 0.000 0.442 566 L N 2.221 123.438 121.223 -0.011 0.000 2.406 566 L HA 0.694 5.058 4.340 0.041 0.000 0.272 566 L C -1.648 175.172 176.870 -0.083 0.000 0.980 566 L CA -0.529 54.280 54.840 -0.051 0.000 0.831 566 L CB 1.602 43.587 42.059 -0.123 0.000 1.253 566 L HN 0.633 nan 8.230 nan 0.000 0.406 567 L N 6.317 127.493 121.223 -0.079 0.000 2.280 567 L HA 0.681 5.046 4.340 0.041 0.000 0.287 567 L C -1.027 175.740 176.870 -0.171 0.000 1.023 567 L CA -0.178 54.590 54.840 -0.121 0.000 0.819 567 L CB 1.601 43.587 42.059 -0.122 0.000 1.212 567 L HN 0.429 nan 8.230 nan 0.000 0.420 568 V N 4.064 123.842 119.914 -0.226 0.000 2.459 568 V HA 0.503 4.647 4.120 0.041 0.000 0.295 568 V C -0.423 175.488 176.094 -0.306 0.000 1.029 568 V CA -0.680 61.408 62.300 -0.353 0.000 0.874 568 V CB 1.603 33.237 31.823 -0.315 0.000 0.985 568 V HN 0.763 nan 8.190 nan 0.000 0.438 569 E N 8.122 128.082 120.200 -0.401 0.000 2.183 569 E HA 0.414 4.789 4.350 0.041 0.000 0.250 569 E C -2.141 174.300 176.600 -0.265 0.000 0.901 569 E CA -2.170 54.068 56.400 -0.270 0.000 0.741 569 E CB 1.782 31.324 29.700 -0.263 0.000 1.182 569 E HN 0.310 nan 8.360 nan 0.000 0.425 570 P HA -0.119 nan 4.420 nan 0.000 0.223 570 P C 1.089 178.313 177.300 -0.127 0.000 1.151 570 P CA 0.468 63.503 63.100 -0.109 0.000 0.787 570 P CB 0.309 31.998 31.700 -0.018 0.000 0.788 571 V N 0.590 120.413 119.914 -0.151 0.000 2.270 571 V HA -0.206 3.938 4.120 0.041 0.000 0.245 571 V C 2.394 178.393 176.094 -0.159 0.000 1.043 571 V CA 1.924 64.099 62.300 -0.209 0.000 1.014 571 V CB -1.110 30.602 31.823 -0.184 0.000 0.645 571 V HN 0.010 nan 8.190 nan 0.000 0.447 572 I N -0.468 120.034 120.570 -0.112 0.000 3.578 572 I HA 0.125 4.320 4.170 0.041 0.000 0.295 572 I C 1.044 177.180 176.117 0.031 0.000 1.280 572 I CA 0.499 61.777 61.300 -0.038 0.000 1.347 572 I CB -0.733 37.211 38.000 -0.093 0.000 1.051 572 I HN 0.451 nan 8.210 nan 0.000 0.460 573 N N 1.941 120.602 118.700 -0.065 0.000 2.771 573 N HA -0.156 4.609 4.740 0.041 0.000 0.249 573 N C -0.228 175.221 175.510 -0.101 0.000 1.069 573 N CA 0.420 53.438 53.050 -0.053 0.000 0.688 573 N CB -0.332 38.222 38.487 0.112 0.000 0.928 573 N HN 0.573 nan 8.380 nan 0.000 0.551 574 S N 0.679 116.178 115.700 -0.335 0.000 2.501 574 S HA 0.726 5.220 4.470 0.041 0.000 0.301 574 S C -0.931 173.361 174.600 -0.514 0.000 1.096 574 S CA -0.547 57.522 58.200 -0.218 0.000 1.063 574 S CB 1.680 64.810 63.200 -0.117 0.000 1.042 574 S HN 0.301 nan 8.310 nan 0.000 0.494 575 Y N 1.047 121.350 120.300 0.005 0.000 2.386 575 Y HA 0.610 5.189 4.550 0.049 0.000 0.334 575 Y C -0.982 174.926 175.900 0.013 0.000 1.002 575 Y CA -0.965 57.120 58.100 -0.025 0.000 1.068 575 Y CB 1.735 40.187 38.460 -0.012 0.000 1.203 575 Y HN 0.566 nan 8.280 nan 0.000 0.443 576 L N 4.674 125.965 121.223 0.114 0.000 2.325 576 L HA 0.553 4.918 4.340 0.041 0.000 0.281 576 L C -0.861 176.091 176.870 0.136 0.000 1.004 576 L CA -0.310 54.625 54.840 0.158 0.000 0.823 576 L CB 1.475 43.591 42.059 0.095 0.000 1.236 576 L HN 0.554 nan 8.230 nan 0.000 0.415 577 L N 3.056 124.396 121.223 0.195 0.000 2.329 577 L HA 0.917 5.282 4.340 0.041 0.000 0.279 577 L C -0.258 176.734 176.870 0.204 0.000 1.014 577 L CA -0.529 54.396 54.840 0.143 0.000 0.814 577 L CB 1.905 44.028 42.059 0.106 0.000 1.257 577 L HN 0.735 nan 8.230 nan 0.000 0.424 578 A N 3.195 126.093 122.820 0.131 0.000 2.393 578 A HA 0.741 5.086 4.320 0.041 0.000 0.306 578 A C -1.151 176.494 177.584 0.102 0.000 1.050 578 A CA -0.460 51.661 52.037 0.140 0.000 0.724 578 A CB 1.890 20.938 19.000 0.079 0.000 1.248 578 A HN 0.708 nan 8.150 nan 0.000 0.424 579 E N 1.470 121.736 120.200 0.109 0.000 2.331 579 E HA 0.634 5.008 4.350 0.041 0.000 0.275 579 E C -1.368 175.284 176.600 0.087 0.000 0.895 579 E CA -0.660 55.791 56.400 0.084 0.000 0.753 579 E CB 1.851 31.596 29.700 0.075 0.000 1.216 579 E HN 0.686 nan 8.360 nan 0.000 0.434 580 R N 3.295 123.841 120.500 0.076 0.000 2.515 580 R HA 0.226 4.590 4.340 0.041 0.000 0.278 580 R C -1.617 174.725 176.300 0.070 0.000 1.107 580 R CA -0.587 55.559 56.100 0.077 0.000 0.945 580 R CB 1.230 31.579 30.300 0.083 0.000 1.219 580 R HN 0.522 nan 8.270 nan 0.000 0.434 581 D N 5.055 125.496 120.400 0.068 0.000 2.264 581 D HA 0.294 4.959 4.640 0.041 0.000 0.250 581 D C -0.158 176.186 176.300 0.073 0.000 1.113 581 D CA -0.016 54.023 54.000 0.065 0.000 0.871 581 D CB 1.536 42.377 40.800 0.069 0.000 1.167 581 D HN 0.330 nan 8.370 nan 0.000 0.447 582 L N 2.004 123.267 121.223 0.066 0.000 2.329 582 L HA 0.340 4.705 4.340 0.041 0.000 0.279 582 L C -0.611 176.299 176.870 0.066 0.000 1.014 582 L CA -1.208 53.670 54.840 0.063 0.000 0.814 582 L CB 1.360 43.451 42.059 0.053 0.000 1.257 582 L HN 0.316 nan 8.230 nan 0.000 0.424 583 Y N 3.943 124.210 120.300 -0.056 0.000 2.353 583 Y HA 0.423 4.996 4.550 0.039 0.000 0.340 583 Y C -0.532 175.304 175.900 -0.107 0.000 0.972 583 Y CA -0.657 57.406 58.100 -0.062 0.000 1.157 583 Y CB 0.767 39.218 38.460 -0.014 0.000 1.157 583 Y HN 0.374 nan 8.280 nan 0.000 0.495 584 L N 7.658 128.571 121.223 -0.515 0.000 2.325 584 L HA 0.197 4.562 4.340 0.041 0.000 0.284 584 L C 0.328 176.815 176.870 -0.638 0.000 1.089 584 L CA -0.270 54.288 54.840 -0.471 0.000 0.836 584 L CB 0.339 42.182 42.059 -0.359 0.000 1.184 584 L HN 0.679 nan 8.230 nan 0.000 0.444 585 E N 3.415 123.385 120.200 -0.384 0.000 2.343 585 E HA 0.184 4.558 4.350 0.041 0.000 0.269 585 E C -0.589 175.930 176.600 -0.136 0.000 1.047 585 E CA -0.875 55.383 56.400 -0.238 0.000 0.874 585 E CB 1.181 30.927 29.700 0.076 0.000 1.033 585 E HN 0.393 nan 8.360 nan 0.000 0.409 586 N N 2.327 120.997 118.700 -0.050 0.000 2.424 586 N HA 0.215 4.979 4.740 0.041 0.000 0.257 586 N C -2.176 173.330 175.510 -0.007 0.000 1.250 586 N CA -1.461 51.581 53.050 -0.013 0.000 0.946 586 N CB 0.249 38.761 38.487 0.041 0.000 1.175 586 N HN 0.486 nan 8.380 nan 0.000 0.477 587 P HA 0.059 nan 4.420 nan 0.000 0.271 587 P C -0.404 176.873 177.300 -0.039 0.000 1.216 587 P CA -0.099 62.972 63.100 -0.050 0.000 0.776 587 P CB 0.657 32.301 31.700 -0.094 0.000 0.881 588 E N 2.309 122.489 120.200 -0.034 0.000 2.373 588 E HA 0.154 4.529 4.350 0.041 0.000 0.267 588 E C -0.407 176.169 176.600 -0.039 0.000 1.032 588 E CA -0.451 55.933 56.400 -0.027 0.000 0.889 588 E CB 0.250 29.930 29.700 -0.032 0.000 0.984 588 E HN 0.355 nan 8.360 nan 0.000 0.425 589 I N 4.793 125.352 120.570 -0.017 0.000 2.301 589 I HA 0.125 4.320 4.170 0.041 0.000 0.292 589 I C 0.449 176.558 176.117 -0.013 0.000 1.046 589 I CA -0.354 60.953 61.300 0.012 0.000 1.282 589 I CB 0.744 38.797 38.000 0.087 0.000 1.409 589 I HN 0.435 nan 8.210 nan 0.000 0.484 590 K N 6.858 127.245 120.400 -0.021 0.000 2.368 590 K HA 0.436 4.780 4.320 0.041 0.000 0.282 590 K C -0.762 175.815 176.600 -0.038 0.000 1.035 590 K CA 0.046 56.309 56.287 -0.040 0.000 0.973 590 K CB 0.628 33.105 32.500 -0.040 0.000 0.957 590 K HN 0.523 nan 8.250 nan 0.000 0.474 591 I N 5.461 126.000 120.570 -0.051 0.000 2.476 591 I HA 0.302 4.497 4.170 0.041 0.000 0.281 591 I C -0.501 175.589 176.117 -0.044 0.000 1.040 591 I CA -0.983 60.290 61.300 -0.045 0.000 1.094 591 I CB 1.310 39.291 38.000 -0.032 0.000 1.219 591 I HN 0.413 nan 8.210 nan 0.000 0.450 592 R N 5.707 126.181 120.500 -0.043 0.000 2.604 592 R HA 0.632 4.997 4.340 0.041 0.000 0.287 592 R C -0.776 175.509 176.300 -0.026 0.000 0.970 592 R CA -1.132 54.947 56.100 -0.035 0.000 0.946 592 R CB 1.580 31.858 30.300 -0.037 0.000 1.127 592 R HN 0.439 nan 8.270 nan 0.000 0.473 593 I N 3.337 123.897 120.570 -0.017 0.000 2.442 593 I HA 0.256 4.450 4.170 0.041 0.000 0.279 593 I C 0.122 176.234 176.117 -0.009 0.000 1.081 593 I CA -0.026 61.270 61.300 -0.008 0.000 1.197 593 I CB 0.368 38.370 38.000 0.004 0.000 1.394 593 I HN 0.178 nan 8.210 nan 0.000 0.488 594 L N 5.064 126.279 121.223 -0.013 0.000 2.439 594 L HA 0.682 5.046 4.340 0.041 0.000 0.269 594 L C 1.168 178.033 176.870 -0.007 0.000 1.179 594 L CA -0.037 54.796 54.840 -0.012 0.000 0.828 594 L CB 0.096 42.145 42.059 -0.017 0.000 1.106 594 L HN 0.829 nan 8.230 nan 0.000 0.467 595 G N 2.288 111.084 108.800 -0.006 0.000 2.698 595 G HA2 -0.149 3.835 3.960 0.041 0.000 0.225 595 G HA3 -0.149 3.835 3.960 0.041 0.000 0.225 595 G C -0.676 174.224 174.900 0.000 0.000 1.345 595 G CA -0.667 44.431 45.100 -0.004 0.000 0.871 595 G HN 0.586 nan 8.290 nan 0.000 0.540 596 E N 0.681 120.882 120.200 0.002 0.000 2.322 596 E HA 0.588 4.963 4.350 0.041 0.000 0.257 596 E C -1.215 175.392 176.600 0.012 0.000 1.155 596 E CA -0.796 55.607 56.400 0.005 0.000 0.936 596 E CB 0.718 30.420 29.700 0.003 0.000 1.130 596 E HN 0.361 nan 8.360 nan 0.000 0.465 597 P HA 0.237 nan 4.420 nan 0.000 0.290 597 P C -0.638 176.679 177.300 0.028 0.000 1.447 597 P CA -0.241 62.875 63.100 0.027 0.000 1.127 597 P CB 0.607 32.322 31.700 0.025 0.000 1.555 598 K N 1.085 121.495 120.400 0.017 0.000 2.380 598 K HA 0.067 4.412 4.320 0.041 0.000 0.267 598 K C 0.934 177.544 176.600 0.017 0.000 0.990 598 K CA 0.355 56.651 56.287 0.014 0.000 0.946 598 K CB -0.036 32.468 32.500 0.006 0.000 0.937 598 K HN 0.091 nan 8.250 nan 0.000 0.491 599 Q N 2.197 122.005 119.800 0.014 0.000 2.380 599 Q HA 0.003 4.368 4.340 0.041 0.000 0.254 599 Q C 0.156 176.143 176.000 -0.022 0.000 0.927 599 Q CA 0.330 56.142 55.803 0.015 0.000 0.950 599 Q CB 0.275 29.024 28.738 0.019 0.000 1.206 599 Q HN 0.285 nan 8.270 nan 0.000 0.414 600 K N -0.792 119.594 120.400 -0.022 0.000 2.774 600 K HA 0.320 4.665 4.320 0.041 0.000 0.242 600 K C 0.435 177.012 176.600 -0.039 0.000 1.832 600 K CA 0.065 56.328 56.287 -0.040 0.000 1.017 600 K CB 0.427 32.910 32.500 -0.028 0.000 2.161 600 K HN -0.058 nan 8.250 nan 0.000 0.378 601 R N 1.344 121.829 120.500 -0.024 0.000 3.173 601 R HA 0.383 4.748 4.340 0.041 0.000 0.225 601 R C -0.618 175.671 176.300 -0.018 0.000 1.587 601 R CA -0.545 55.541 56.100 -0.023 0.000 1.033 601 R CB 0.395 30.684 30.300 -0.018 0.000 1.804 601 R HN -0.047 nan 8.270 nan 0.000 0.526 602 K N 0.724 121.114 120.400 -0.016 0.000 2.518 602 K HA 0.083 4.427 4.320 0.041 0.000 0.276 602 K C -0.685 175.908 176.600 -0.011 0.000 0.974 602 K CA 0.553 56.831 56.287 -0.014 0.000 0.986 602 K CB 0.193 32.686 32.500 -0.012 0.000 0.901 602 K HN 0.136 nan 8.250 nan 0.000 0.497 603 L N 2.295 123.511 121.223 -0.011 0.000 2.549 603 L HA 0.334 4.699 4.340 0.041 0.000 0.259 603 L C -1.584 175.279 176.870 -0.011 0.000 0.934 603 L CA -0.708 54.127 54.840 -0.008 0.000 0.865 603 L CB 2.256 44.312 42.059 -0.005 0.000 1.352 603 L HN 0.362 nan 8.230 nan 0.000 0.410 604 V N 2.295 122.202 119.914 -0.012 0.000 2.604 604 V HA 0.839 4.984 4.120 0.041 0.000 0.305 604 V C 0.189 176.271 176.094 -0.020 0.000 1.043 604 V CA -0.721 61.568 62.300 -0.017 0.000 0.888 604 V CB 1.590 33.401 31.823 -0.019 0.000 0.995 604 V HN 0.885 nan 8.190 nan 0.000 0.429 605 A N 2.922 125.726 122.820 -0.026 0.000 2.287 605 A HA 0.687 5.032 4.320 0.041 0.000 0.317 605 A C -0.274 177.275 177.584 -0.058 0.000 1.220 605 A CA -0.484 51.533 52.037 -0.033 0.000 0.835 605 A CB 0.671 19.658 19.000 -0.023 0.000 1.180 605 A HN 0.908 nan 8.150 nan 0.000 0.500 606 E N 2.356 122.519 120.200 -0.062 0.000 2.081 606 E HA 0.459 4.834 4.350 0.041 0.000 0.276 606 E C -0.756 175.779 176.600 -0.108 0.000 0.950 606 E CA -0.495 55.852 56.400 -0.089 0.000 0.776 606 E CB 1.097 30.757 29.700 -0.066 0.000 1.094 606 E HN 0.665 nan 8.360 nan 0.000 0.402 607 V N 2.224 122.028 119.914 -0.183 0.000 2.555 607 V HA 0.840 4.985 4.120 0.041 0.000 0.302 607 V C -0.464 175.470 176.094 -0.266 0.000 1.038 607 V CA -0.266 61.913 62.300 -0.202 0.000 0.887 607 V CB 1.419 33.106 31.823 -0.226 0.000 0.991 607 V HN 0.644 nan 8.190 nan 0.000 0.434 608 S N 5.051 120.694 115.700 -0.094 0.000 2.685 608 S HA 0.936 5.430 4.470 0.041 0.000 0.282 608 S C -1.054 173.581 174.600 0.059 0.000 1.159 608 S CA -0.730 57.464 58.200 -0.011 0.000 0.833 608 S CB 1.899 65.081 63.200 -0.031 0.000 1.151 608 S HN 2.045 nan 8.310 nan 0.000 0.485 609 L N 0.456 121.697 121.223 0.030 0.000 2.611 609 L HA 0.486 4.851 4.340 0.041 0.000 0.260 609 L C -1.406 175.398 176.870 -0.109 0.000 0.924 609 L CA -0.286 54.493 54.840 -0.102 0.000 0.901 609 L CB 1.985 43.838 42.059 -0.344 0.000 1.369 609 L HN 0.961 nan 8.230 nan 0.000 0.415 610 Q N 3.334 123.073 119.800 -0.102 0.000 2.274 610 Q HA 0.230 4.594 4.340 0.041 0.000 0.256 610 Q C -0.574 175.367 176.000 -0.099 0.000 0.927 610 Q CA -0.594 55.163 55.803 -0.077 0.000 0.939 610 Q CB 1.322 30.028 28.738 -0.054 0.000 1.201 610 Q HN 0.694 nan 8.270 nan 0.000 0.426 611 N N 5.971 124.625 118.700 -0.076 0.000 2.429 611 N HA 0.006 4.771 4.740 0.041 0.000 0.271 611 N C -1.920 173.548 175.510 -0.070 0.000 1.272 611 N CA -1.282 51.729 53.050 -0.066 0.000 0.921 611 N CB 0.955 39.426 38.487 -0.028 0.000 1.128 611 N HN 0.445 nan 8.380 nan 0.000 0.481 612 P HA 0.000 nan 4.420 nan 0.000 0.235 612 P C 0.239 177.456 177.300 -0.138 0.000 1.177 612 P CA 0.490 63.537 63.100 -0.087 0.000 0.785 612 P CB 0.465 32.121 31.700 -0.073 0.000 0.885 613 L N 1.864 122.982 121.223 -0.174 0.000 2.453 613 L HA 0.194 4.559 4.340 0.041 0.000 0.261 613 L C -1.008 175.716 176.870 -0.243 0.000 1.179 613 L CA -1.795 52.849 54.840 -0.326 0.000 0.813 613 L CB -0.050 41.844 42.059 -0.276 0.000 1.110 613 L HN -0.179 nan 8.230 nan 0.000 0.466 614 P HA 0.024 nan 4.420 nan 0.000 0.255 614 P C -0.377 176.880 177.300 -0.072 0.000 1.301 614 P CA 0.394 63.408 63.100 -0.143 0.000 0.817 614 P CB 0.062 31.693 31.700 -0.115 0.000 1.259 615 V N -4.211 115.659 119.914 -0.073 0.000 3.040 615 V HA 0.881 5.026 4.120 0.041 0.000 0.312 615 V C -0.247 175.844 176.094 -0.006 0.000 1.115 615 V CA -1.819 60.476 62.300 -0.010 0.000 0.998 615 V CB 1.418 33.265 31.823 0.041 0.000 1.042 615 V HN 0.013 nan 8.190 nan 0.000 0.433 616 A N 2.641 125.467 122.820 0.011 0.000 2.407 616 A HA 0.689 5.034 4.320 0.041 0.000 0.248 616 A C -0.521 177.081 177.584 0.031 0.000 1.082 616 A CA -0.254 51.794 52.037 0.018 0.000 0.785 616 A CB 0.323 19.335 19.000 0.020 0.000 1.020 616 A HN 0.950 nan 8.150 nan 0.000 0.489 617 L N 1.973 123.222 121.223 0.044 0.000 2.282 617 L HA 0.389 4.754 4.340 0.041 0.000 0.288 617 L C 0.062 176.960 176.870 0.046 0.000 1.033 617 L CA 0.222 55.099 54.840 0.062 0.000 0.807 617 L CB 1.176 43.303 42.059 0.114 0.000 1.209 617 L HN 0.710 nan 8.230 nan 0.000 0.423 618 E N 2.491 122.705 120.200 0.024 0.000 2.202 618 E HA 0.513 4.888 4.350 0.041 0.000 0.272 618 E C 0.333 176.915 176.600 -0.030 0.000 0.951 618 E CA -0.156 56.246 56.400 0.004 0.000 0.813 618 E CB 1.631 31.333 29.700 0.003 0.000 1.151 618 E HN 0.736 nan 8.360 nan 0.000 0.398 619 G N 2.031 110.808 108.800 -0.038 0.000 2.298 619 G HA2 -0.271 3.714 3.960 0.041 0.000 0.287 619 G HA3 -0.271 3.714 3.960 0.041 0.000 0.287 619 G C 0.164 174.970 174.900 -0.158 0.000 1.075 619 G CA -0.037 45.018 45.100 -0.075 0.000 0.960 619 G HN 0.504 nan 8.290 nan 0.000 0.502 620 C N 1.093 120.307 119.300 -0.143 0.000 2.632 620 C HA 0.725 5.209 4.460 0.041 0.000 0.415 620 C C 0.945 175.771 174.990 -0.275 0.000 1.332 620 C CA 0.490 59.328 59.018 -0.302 0.000 1.874 620 C CB -0.212 27.523 27.740 -0.010 0.000 2.596 620 C HN 1.046 nan 8.230 nan 0.000 0.590 621 T N 0.634 114.879 114.554 -0.514 0.000 3.172 621 T HA 0.511 4.886 4.350 0.041 0.000 0.320 621 T C -0.930 173.584 174.700 -0.309 0.000 1.085 621 T CA -0.410 61.544 62.100 -0.243 0.000 1.052 621 T CB 0.419 69.196 68.868 -0.152 0.000 1.107 621 T HN 0.302 nan 8.240 nan 0.000 0.458 622 F N 1.737 121.699 119.950 0.020 0.000 2.394 622 F HA 0.569 5.122 4.527 0.042 0.000 0.340 622 F C 1.105 176.932 175.800 0.045 0.000 1.105 622 F CA -0.330 57.727 58.000 0.096 0.000 1.124 622 F CB 1.630 40.717 39.000 0.144 0.000 1.145 622 F HN 0.547 nan 8.300 nan 0.000 0.505 623 T N 3.213 117.895 114.554 0.212 0.000 2.823 623 T HA 0.696 5.070 4.350 0.041 0.000 0.279 623 T C -0.786 174.013 174.700 0.165 0.000 0.998 623 T CA -0.664 61.523 62.100 0.146 0.000 0.994 623 T CB 1.685 70.603 68.868 0.083 0.000 0.960 623 T HN 0.277 nan 8.240 nan 0.000 0.448 624 V N 3.224 123.213 119.914 0.124 0.000 2.760 624 V HA 0.714 4.858 4.120 0.041 0.000 0.309 624 V C -0.539 175.600 176.094 0.074 0.000 1.077 624 V CA -0.928 61.436 62.300 0.108 0.000 0.910 624 V CB 2.005 33.883 31.823 0.093 0.000 1.008 624 V HN 1.060 nan 8.190 nan 0.000 0.424 625 E N 2.288 122.531 120.200 0.072 0.000 2.437 625 E HA 0.802 5.176 4.350 0.041 0.000 0.280 625 E C -0.547 176.088 176.600 0.058 0.000 1.044 625 E CA -0.921 55.511 56.400 0.054 0.000 0.826 625 E CB 2.464 32.192 29.700 0.047 0.000 1.358 625 E HN 1.132 nan 8.360 nan 0.000 0.459 626 G N 0.171 108.997 108.800 0.044 0.000 2.667 626 G HA2 0.457 4.442 3.960 0.041 0.000 0.244 626 G HA3 0.457 4.442 3.960 0.041 0.000 0.244 626 G C -0.476 174.440 174.900 0.026 0.000 3.242 626 G CA -0.311 44.819 45.100 0.050 0.000 0.634 626 G HN 0.712 nan 8.290 nan 0.000 0.410 627 A N 0.505 123.341 122.820 0.027 0.000 2.567 627 A HA 0.592 4.937 4.320 0.041 0.000 0.240 627 A C 1.790 179.361 177.584 -0.021 0.000 1.053 627 A CA 1.699 53.741 52.037 0.008 0.000 0.755 627 A CB 0.241 19.257 19.000 0.026 0.000 0.978 627 A HN 2.727 nan 8.150 nan 0.000 0.507 628 G N 0.552 109.279 108.800 -0.121 0.000 2.217 628 G HA2 -0.180 3.805 3.960 0.041 0.000 0.246 628 G HA3 -0.180 3.805 3.960 0.041 0.000 0.246 628 G C 0.410 174.980 174.900 -0.550 0.000 0.990 628 G CA 0.608 45.445 45.100 -0.438 0.000 0.627 628 G HN 0.889 nan 8.290 nan 0.000 0.522 629 L N 0.108 121.193 121.223 -0.230 0.000 2.641 629 L HA 0.442 4.807 4.340 0.041 0.000 0.207 629 L C 1.169 177.998 176.870 -0.068 0.000 1.049 629 L CA 2.111 56.875 54.840 -0.128 0.000 0.866 629 L CB -0.011 42.026 42.059 -0.037 0.000 1.264 629 L HN 0.276 nan 8.230 nan 0.000 0.483 630 T N -1.563 112.966 114.554 -0.042 0.000 2.906 630 T HA 0.399 4.773 4.350 0.041 0.000 0.295 630 T C 0.407 175.097 174.700 -0.016 0.000 1.075 630 T CA -0.581 61.505 62.100 -0.022 0.000 1.005 630 T CB 2.494 71.360 68.868 -0.003 0.000 1.136 630 T HN -0.023 nan 8.240 nan 0.000 0.498 631 E N 0.148 120.342 120.200 -0.010 0.000 2.490 631 E HA 0.115 4.489 4.350 0.041 0.000 0.209 631 E C 0.143 176.745 176.600 0.004 0.000 0.971 631 E CA 0.092 56.490 56.400 -0.003 0.000 0.988 631 E CB 1.077 30.774 29.700 -0.004 0.000 1.029 631 E HN 0.599 nan 8.360 nan 0.000 0.496 632 E N 1.911 122.114 120.200 0.005 0.000 2.183 632 E HA 0.110 4.484 4.350 0.041 0.000 0.271 632 E C -0.740 175.870 176.600 0.016 0.000 0.919 632 E CA -0.422 55.984 56.400 0.010 0.000 0.781 632 E CB 1.406 31.112 29.700 0.009 0.000 1.140 632 E HN -0.079 nan 8.360 nan 0.000 0.402 633 Q N 3.926 123.739 119.800 0.021 0.000 2.271 633 Q HA 0.035 4.400 4.340 0.041 0.000 0.273 633 Q C -0.891 175.128 176.000 0.032 0.000 1.051 633 Q CA 0.038 55.859 55.803 0.030 0.000 0.901 633 Q CB 0.541 29.298 28.738 0.030 0.000 1.174 633 Q HN 0.170 nan 8.270 nan 0.000 0.385 634 K N 3.922 124.345 120.400 0.039 0.000 2.263 634 K HA 0.284 4.629 4.320 0.041 0.000 0.272 634 K C -0.992 175.645 176.600 0.062 0.000 1.033 634 K CA -0.372 55.939 56.287 0.041 0.000 0.884 634 K CB 1.758 34.277 32.500 0.032 0.000 1.107 634 K HN 0.530 nan 8.250 nan 0.000 0.460 635 T N 2.438 117.027 114.554 0.058 0.000 2.788 635 T HA 0.247 4.622 4.350 0.041 0.000 0.296 635 T C 0.090 174.836 174.700 0.078 0.000 1.009 635 T CA -0.667 61.477 62.100 0.072 0.000 0.949 635 T CB 0.783 69.679 68.868 0.047 0.000 0.946 635 T HN 0.372 nan 8.240 nan 0.000 0.453 636 V N 1.863 121.851 119.914 0.124 0.000 2.617 636 V HA 0.698 4.843 4.120 0.041 0.000 0.298 636 V C -0.228 175.941 176.094 0.124 0.000 1.048 636 V CA -0.757 61.618 62.300 0.124 0.000 0.964 636 V CB 1.651 33.563 31.823 0.148 0.000 1.004 636 V HN 0.796 nan 8.190 nan 0.000 0.466 637 E N 2.902 123.156 120.200 0.090 0.000 2.187 637 E HA 0.656 5.031 4.350 0.041 0.000 0.268 637 E C -1.209 175.437 176.600 0.076 0.000 0.896 637 E CA -0.654 55.782 56.400 0.061 0.000 0.766 637 E CB 2.024 31.744 29.700 0.034 0.000 1.142 637 E HN 0.809 nan 8.360 nan 0.000 0.408 638 I N 6.088 126.700 120.570 0.070 0.000 2.464 638 I HA 0.240 4.434 4.170 0.041 0.000 0.277 638 I C -1.881 174.265 176.117 0.048 0.000 1.040 638 I CA -1.717 59.634 61.300 0.085 0.000 1.153 638 I CB 1.324 39.408 38.000 0.141 0.000 1.274 638 I HN 0.435 nan 8.210 nan 0.000 0.469 639 P HA -0.018 nan 4.420 nan 0.000 0.218 639 P C -0.099 177.218 177.300 0.029 0.000 1.152 639 P CA 0.862 63.978 63.100 0.026 0.000 0.826 639 P CB 0.133 31.846 31.700 0.022 0.000 0.790 640 D N 1.536 121.959 120.400 0.038 0.000 2.358 640 D HA 0.123 4.788 4.640 0.041 0.000 0.258 640 D C -2.110 174.217 176.300 0.046 0.000 1.223 640 D CA -1.062 52.960 54.000 0.038 0.000 0.886 640 D CB -0.143 40.681 40.800 0.039 0.000 1.120 640 D HN 0.143 nan 8.370 nan 0.000 0.482 641 P HA 0.011 nan 4.420 nan 0.000 0.268 641 P C -0.358 176.972 177.300 0.050 0.000 1.205 641 P CA -0.376 62.749 63.100 0.042 0.000 0.771 641 P CB 0.663 32.381 31.700 0.029 0.000 0.858 642 V N 4.059 124.013 119.914 0.067 0.000 2.372 642 V HA 0.050 4.195 4.120 0.041 0.000 0.261 642 V C 0.950 177.069 176.094 0.040 0.000 1.055 642 V CA -0.287 62.052 62.300 0.065 0.000 0.930 642 V CB -0.298 31.582 31.823 0.096 0.000 1.031 642 V HN 0.512 nan 8.190 nan 0.000 0.479 643 E N 2.904 123.120 120.200 0.027 0.000 2.428 643 E HA 0.244 4.618 4.350 0.041 0.000 0.257 643 E C 0.590 177.191 176.600 0.002 0.000 1.197 643 E CA -0.074 56.334 56.400 0.014 0.000 0.974 643 E CB 0.609 30.315 29.700 0.010 0.000 0.976 643 E HN 0.736 nan 8.360 nan 0.000 0.463 644 A N 0.411 123.226 122.820 -0.009 0.000 2.545 644 A HA 0.358 4.703 4.320 0.041 0.000 0.253 644 A C 1.313 178.881 177.584 -0.025 0.000 1.074 644 A CA 0.806 52.827 52.037 -0.028 0.000 0.760 644 A CB -0.780 18.198 19.000 -0.035 0.000 1.005 644 A HN 0.753 nan 8.150 nan 0.000 0.506 645 G N 1.431 110.211 108.800 -0.033 0.000 2.234 645 G HA2 -0.217 3.768 3.960 0.041 0.000 0.260 645 G HA3 -0.217 3.768 3.960 0.041 0.000 0.260 645 G C 0.235 175.124 174.900 -0.019 0.000 0.987 645 G CA 0.408 45.491 45.100 -0.028 0.000 0.625 645 G HN 0.810 nan 8.290 nan 0.000 0.532 646 E N 1.760 121.955 120.200 -0.010 0.000 2.384 646 E HA 0.325 4.700 4.350 0.041 0.000 0.266 646 E C 0.912 177.511 176.600 -0.001 0.000 1.012 646 E CA 0.385 56.785 56.400 0.001 0.000 0.901 646 E CB 0.699 30.407 29.700 0.014 0.000 0.967 646 E HN 0.821 nan 8.360 nan 0.000 0.435 647 E N 0.640 120.842 120.200 0.002 0.000 2.283 647 E HA 0.457 4.832 4.350 0.041 0.000 0.271 647 E C -0.871 175.752 176.600 0.038 0.000 1.031 647 E CA -0.860 55.544 56.400 0.005 0.000 0.868 647 E CB 1.774 31.472 29.700 -0.004 0.000 1.094 647 E HN 0.128 nan 8.360 nan 0.000 0.401 648 V N 1.771 121.730 119.914 0.074 0.000 2.540 648 V HA 0.447 4.592 4.120 0.041 0.000 0.302 648 V C -1.245 174.923 176.094 0.124 0.000 1.035 648 V CA -0.648 61.736 62.300 0.140 0.000 0.873 648 V CB 1.604 33.586 31.823 0.266 0.000 0.992 648 V HN 0.743 nan 8.190 nan 0.000 0.428 649 K N 4.452 124.877 120.400 0.041 0.000 2.267 649 K HA 0.852 5.197 4.320 0.041 0.000 0.246 649 K C -1.234 175.281 176.600 -0.142 0.000 0.954 649 K CA -0.742 55.498 56.287 -0.078 0.000 0.824 649 K CB 2.339 34.802 32.500 -0.060 0.000 1.167 649 K HN 0.724 nan 8.250 nan 0.000 0.431 650 V N -0.985 118.744 119.914 -0.308 0.000 2.888 650 V HA 0.618 4.763 4.120 0.041 0.000 0.309 650 V C -1.243 174.728 176.094 -0.205 0.000 1.114 650 V CA -1.168 60.984 62.300 -0.246 0.000 0.940 650 V CB 1.882 33.514 31.823 -0.317 0.000 1.021 650 V HN 0.694 nan 8.190 nan 0.000 0.426 651 R N 4.338 124.768 120.500 -0.117 0.000 2.514 651 R HA 0.887 5.251 4.340 0.041 0.000 0.301 651 R C -0.672 175.590 176.300 -0.064 0.000 0.962 651 R CA -0.625 55.424 56.100 -0.085 0.000 0.882 651 R CB 1.986 32.252 30.300 -0.057 0.000 1.143 651 R HN 0.745 nan 8.270 nan 0.000 0.452 652 M N 1.395 120.963 119.600 -0.054 0.000 2.470 652 M HA 0.278 4.783 4.480 0.041 0.000 0.285 652 M C -1.592 174.694 176.300 -0.023 0.000 1.213 652 M CA -0.832 54.449 55.300 -0.033 0.000 0.901 652 M CB 2.720 35.303 32.600 -0.029 0.000 1.718 652 M HN 0.550 nan 8.290 nan 0.000 0.469 653 D N 3.652 124.043 120.400 -0.016 0.000 2.277 653 D HA 0.564 5.228 4.640 0.041 0.000 0.249 653 D C -0.363 175.930 176.300 -0.012 0.000 1.134 653 D CA -0.074 53.918 54.000 -0.014 0.000 0.863 653 D CB 1.228 42.021 40.800 -0.012 0.000 1.143 653 D HN 0.398 nan 8.370 nan 0.000 0.458 654 L N 0.420 121.635 121.223 -0.014 0.000 2.331 654 L HA 0.694 5.059 4.340 0.041 0.000 0.268 654 L C -0.041 176.816 176.870 -0.023 0.000 1.015 654 L CA -1.254 53.576 54.840 -0.017 0.000 0.807 654 L CB 1.475 43.525 42.059 -0.015 0.000 1.293 654 L HN 0.093 nan 8.230 nan 0.000 0.451 655 V N -1.054 118.840 119.914 -0.034 0.000 2.675 655 V HA 0.316 4.460 4.120 0.041 0.000 0.266 655 V C -2.422 173.634 176.094 -0.062 0.000 0.974 655 V CA -1.154 61.123 62.300 -0.039 0.000 0.890 655 V CB 0.584 32.388 31.823 -0.032 0.000 1.055 655 V HN 0.558 nan 8.190 nan 0.000 0.477 656 P HA 0.476 nan 4.420 nan 0.000 0.288 656 P C 0.198 177.443 177.300 -0.093 0.000 1.291 656 P CA -0.122 62.914 63.100 -0.107 0.000 0.766 656 P CB 2.186 33.857 31.700 -0.049 0.000 1.242 657 L N -3.539 117.628 121.223 -0.095 0.000 2.726 657 L HA 0.215 4.579 4.340 0.041 0.000 0.287 657 L C 0.187 176.875 176.870 -0.304 0.000 1.047 657 L CA 0.226 54.961 54.840 -0.175 0.000 1.304 657 L CB 0.347 42.322 42.059 -0.140 0.000 2.440 657 L HN 0.374 nan 8.230 nan 0.000 0.569 658 H N -1.367 117.762 119.070 0.098 0.000 2.865 658 H HA 0.326 4.907 4.556 0.041 0.000 0.372 658 H C 0.793 176.218 175.328 0.162 0.000 1.173 658 H CA -0.084 56.039 56.048 0.125 0.000 1.147 658 H CB 1.600 31.430 29.762 0.114 0.000 1.805 658 H HN 0.075 nan 8.280 nan 0.000 0.553 659 M N 0.068 119.809 119.600 0.235 0.000 2.270 659 M HA -0.162 4.343 4.480 0.041 0.000 0.254 659 M C 0.916 177.243 176.300 0.045 0.000 1.072 659 M CA 2.476 57.842 55.300 0.109 0.000 1.077 659 M CB -0.780 31.865 32.600 0.075 0.000 1.288 659 M HN 0.495 nan 8.290 nan 0.000 0.424 660 G N 0.149 108.923 108.800 -0.043 0.000 3.039 660 G HA2 0.629 4.614 3.960 0.041 0.000 0.159 660 G HA3 0.629 4.614 3.960 0.041 0.000 0.159 660 G C -0.875 173.788 174.900 -0.394 0.000 1.284 660 G CA -1.022 43.985 45.100 -0.155 0.000 0.996 660 G HN 0.349 nan 8.290 nan 0.000 0.592 661 L N 0.889 121.913 121.223 -0.332 0.000 2.410 661 L HA 0.350 4.715 4.340 0.041 0.000 0.273 661 L C -0.377 176.201 176.870 -0.486 0.000 1.152 661 L CA -0.096 54.567 54.840 -0.295 0.000 0.855 661 L CB 0.445 42.433 42.059 -0.118 0.000 1.129 661 L HN 0.472 nan 8.230 nan 0.000 0.463 662 H N 1.741 120.838 119.070 0.046 0.000 2.768 662 H HA 0.449 5.029 4.556 0.041 0.000 0.371 662 H C -0.915 174.451 175.328 0.064 0.000 1.151 662 H CA -0.934 55.142 56.048 0.048 0.000 1.165 662 H CB 2.145 31.934 29.762 0.046 0.000 1.722 662 H HN 0.364 nan 8.280 nan 0.000 0.543 663 K N 2.431 122.946 120.400 0.191 0.000 2.425 663 K HA 0.285 4.629 4.320 0.041 0.000 0.259 663 K C -1.298 175.397 176.600 0.158 0.000 0.978 663 K CA -0.857 55.532 56.287 0.170 0.000 0.883 663 K CB 1.150 33.722 32.500 0.120 0.000 1.110 663 K HN 0.335 nan 8.250 nan 0.000 0.436 664 L N 4.839 126.156 121.223 0.158 0.000 2.349 664 L HA 0.352 4.717 4.340 0.041 0.000 0.275 664 L C -1.146 175.821 176.870 0.162 0.000 1.115 664 L CA -0.060 54.856 54.840 0.126 0.000 0.820 664 L CB 1.394 43.508 42.059 0.093 0.000 1.135 664 L HN 0.322 nan 8.230 nan 0.000 0.445 665 V N 5.481 125.480 119.914 0.141 0.000 2.588 665 V HA 0.608 4.753 4.120 0.041 0.000 0.304 665 V C -0.673 175.510 176.094 0.149 0.000 1.042 665 V CA -0.686 61.711 62.300 0.162 0.000 0.877 665 V CB 1.973 33.871 31.823 0.124 0.000 0.996 665 V HN 0.525 nan 8.190 nan 0.000 0.425 666 V N 4.007 124.027 119.914 0.176 0.000 2.656 666 V HA 0.502 4.647 4.120 0.041 0.000 0.307 666 V C -0.296 175.919 176.094 0.200 0.000 1.051 666 V CA -0.698 61.723 62.300 0.202 0.000 0.893 666 V CB 1.990 33.957 31.823 0.239 0.000 0.999 666 V HN 0.925 nan 8.190 nan 0.000 0.426 667 N N 2.459 121.273 118.700 0.191 0.000 2.361 667 N HA 0.599 5.364 4.740 0.041 0.000 0.302 667 N C -1.955 173.651 175.510 0.161 0.000 1.074 667 N CA -0.400 52.742 53.050 0.154 0.000 0.850 667 N CB 2.000 40.543 38.487 0.093 0.000 1.228 667 N HN 0.607 nan 8.380 nan 0.000 0.491 668 F N 2.141 122.052 119.950 -0.066 0.000 2.518 668 F HA 0.421 4.972 4.527 0.040 0.000 0.323 668 F C -0.613 175.090 175.800 -0.162 0.000 1.129 668 F CA -0.496 57.350 58.000 -0.257 0.000 0.920 668 F CB 1.545 40.311 39.000 -0.390 0.000 1.160 668 F HN 0.474 nan 8.300 nan 0.000 0.440 669 E N 3.069 122.819 120.200 -0.751 0.000 2.312 669 E HA 0.768 5.142 4.350 0.041 0.000 0.267 669 E C -1.371 174.822 176.600 -0.678 0.000 0.894 669 E CA -0.607 55.502 56.400 -0.485 0.000 0.773 669 E CB 2.187 31.735 29.700 -0.253 0.000 1.241 669 E HN 0.698 nan 8.360 nan 0.000 0.432 670 S N 0.286 115.784 115.700 -0.336 0.000 2.688 670 S HA 0.099 4.594 4.470 0.041 0.000 0.275 670 S C -0.339 174.203 174.600 -0.096 0.000 1.175 670 S CA -0.559 57.503 58.200 -0.230 0.000 0.818 670 S CB 0.907 64.038 63.200 -0.115 0.000 1.157 670 S HN 0.792 nan 8.310 nan 0.000 0.482 671 D N 0.800 121.167 120.400 -0.054 0.000 2.149 671 D HA -0.054 4.611 4.640 0.041 0.000 0.201 671 D C 0.699 177.004 176.300 0.008 0.000 0.972 671 D CA 1.191 55.179 54.000 -0.020 0.000 0.835 671 D CB 0.007 40.801 40.800 -0.011 0.000 0.966 671 D HN 0.395 nan 8.370 nan 0.000 0.476 672 K N -1.060 119.358 120.400 0.030 0.000 2.374 672 K HA 0.278 4.623 4.320 0.041 0.000 0.202 672 K C -0.282 176.367 176.600 0.081 0.000 1.040 672 K CA -0.272 56.052 56.287 0.062 0.000 1.085 672 K CB 1.272 33.821 32.500 0.081 0.000 0.873 672 K HN -0.033 nan 8.250 nan 0.000 0.539 673 L N 1.520 122.788 121.223 0.075 0.000 2.422 673 L HA 0.221 4.585 4.340 0.041 0.000 0.263 673 L C -1.394 175.538 176.870 0.103 0.000 1.372 673 L CA -0.152 54.756 54.840 0.114 0.000 0.857 673 L CB 0.662 42.824 42.059 0.171 0.000 1.024 673 L HN -0.165 nan 8.230 nan 0.000 0.507 674 K N 1.721 122.156 120.400 0.059 0.000 2.087 674 K HA 0.757 5.102 4.320 0.041 0.000 0.255 674 K C 0.786 177.423 176.600 0.061 0.000 0.988 674 K CA -0.182 56.120 56.287 0.025 0.000 0.915 674 K CB 1.436 33.943 32.500 0.011 0.000 1.043 674 K HN 0.510 nan 8.250 nan 0.000 0.457 675 A N 0.532 123.378 122.820 0.043 0.000 2.415 675 A HA -0.140 4.204 4.320 0.041 0.000 0.292 675 A C 0.063 177.712 177.584 0.109 0.000 1.452 675 A CA 0.731 52.810 52.037 0.069 0.000 0.750 675 A CB -1.854 17.184 19.000 0.065 0.000 1.099 675 A HN 0.448 nan 8.150 nan 0.000 0.391 676 V N 1.249 121.250 119.914 0.145 0.000 2.432 676 V HA 0.656 4.801 4.120 0.041 0.000 0.275 676 V C 0.142 176.330 176.094 0.157 0.000 1.043 676 V CA -0.718 61.673 62.300 0.152 0.000 0.925 676 V CB 1.176 33.087 31.823 0.147 0.000 0.985 676 V HN 0.484 nan 8.190 nan 0.000 0.466 677 K N 4.998 125.487 120.400 0.147 0.000 2.166 677 K HA 0.854 5.199 4.320 0.041 0.000 0.245 677 K C -0.014 176.687 176.600 0.168 0.000 0.967 677 K CA -0.246 56.138 56.287 0.161 0.000 0.863 677 K CB 2.025 34.619 32.500 0.157 0.000 1.107 677 K HN 1.012 nan 8.250 nan 0.000 0.436 678 G N 0.744 109.661 108.800 0.195 0.000 2.677 678 G HA2 0.715 4.699 3.960 0.041 0.000 0.291 678 G HA3 0.715 4.699 3.960 0.041 0.000 0.291 678 G C -1.641 173.417 174.900 0.264 0.000 1.435 678 G CA -0.840 44.358 45.100 0.163 0.000 0.826 678 G HN 0.464 nan 8.290 nan 0.000 0.491 679 F N -0.993 118.991 119.950 0.056 0.000 2.686 679 F HA 0.943 5.495 4.527 0.041 0.000 0.311 679 F C -1.007 174.817 175.800 0.041 0.000 1.128 679 F CA -1.524 56.506 58.000 0.050 0.000 0.946 679 F CB 2.237 41.263 39.000 0.044 0.000 1.336 679 F HN 0.671 nan 8.300 nan 0.000 0.457 680 R N 1.840 122.421 120.500 0.136 0.000 2.564 680 R HA 0.452 4.817 4.340 0.041 0.000 0.284 680 R C -1.915 174.487 176.300 0.170 0.000 1.031 680 R CA -0.661 55.462 56.100 0.039 0.000 0.904 680 R CB 1.086 31.382 30.300 -0.008 0.000 1.199 680 R HN 0.762 nan 8.270 nan 0.000 0.443 681 N N 2.229 121.026 118.700 0.162 0.000 2.520 681 N HA 0.315 5.079 4.740 0.041 0.000 0.273 681 N C -0.920 174.640 175.510 0.084 0.000 1.155 681 N CA -0.094 53.038 53.050 0.137 0.000 0.967 681 N CB 1.539 40.100 38.487 0.124 0.000 1.092 681 N HN 0.276 nan 8.380 nan 0.000 0.457 682 V N 3.049 123.016 119.914 0.088 0.000 2.876 682 V HA 0.550 4.694 4.120 0.041 0.000 0.312 682 V C 0.628 176.763 176.094 0.069 0.000 1.085 682 V CA -0.874 61.474 62.300 0.081 0.000 0.945 682 V CB 1.248 33.136 31.823 0.109 0.000 1.017 682 V HN 0.675 nan 8.190 nan 0.000 0.428 683 I N 0.000 120.602 120.570 0.053 0.000 2.984 683 I HA 0.000 4.195 4.170 0.041 0.000 0.288 683 I CA 0.000 61.321 61.300 0.036 0.000 1.566 683 I CB 0.000 38.041 38.000 0.068 0.000 1.214 683 I HN 0.000 nan 8.210 nan 0.000 0.494