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 1vko_1_A DATA FIRST_RESID 11 DATA SEQUENCE KRLIVESPNV KLEDGVLESR FTYRKNHFEH RADGLHVTPK EHDYSFKTVL DATA SEQUENCE KPRKTGLLLV GLGGNNGSTA VGSIFANQYA MTWRTKEGHS QANYFGSVTQ DATA SEQUENCE TATVHLGYDS ATQNQIFVPF KDIVPILSPN DLIISGWDIS DSNLYEAMGR DATA SEQUENCE AKVFEPELQE KLRPFMEPIV PLPSIYYPDF IASNQGDRAN NVIPGDNKLE DATA SEQUENCE HLEHIRADIR KFKQEHELEC VIVLWTANTE RYTDVRQGLN ATADEIMESI DATA SEQUENCE RVNEDEVSPS NIFAVASILE GAHYINGSPQ NTLVPGLIEL AERHKVFVGG DATA SEQUENCE DDFKSGQTKF KSAFVDFLVS SGMKPESIVS YNHLGNNDGK NLSEARQFRS DATA SEQUENCE KEISKSSVVD DMVKSNQILF PDAKNPDYCV VIKYVPYVAD SKRAMDEYIC DATA SEQUENCE SIFMGGKQTF VVHNTCEDSL LASPLIYDLA ILTELASRVS YKVDDEYKPF DATA SEQUENCE HSVLSILSLL LKAPVVPPGT PISNAFMRQF STLTKLVTAL AGFPSDTDMQ DATA SEQUENCE IEFFTQLPAA K 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 11 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.606 176.600 0.009 0.000 0.988 11 K CA 0.000 56.291 56.287 0.007 0.000 0.838 11 K CB 0.000 32.504 32.500 0.006 0.000 1.064 12 R N 0.631 121.136 120.500 0.009 0.000 2.533 12 R HA 0.587 4.927 4.340 -0.000 0.000 0.249 12 R C -0.292 176.013 176.300 0.008 0.000 1.168 12 R CA -0.875 55.233 56.100 0.013 0.000 1.147 12 R CB 0.145 30.455 30.300 0.017 0.000 1.276 12 R HN 0.344 nan 8.270 nan 0.000 0.582 13 L N 0.454 121.688 121.223 0.019 0.000 2.298 13 L HA 0.613 4.953 4.340 -0.000 0.000 0.284 13 L C -0.906 175.990 176.870 0.043 0.000 1.013 13 L CA -0.950 53.892 54.840 0.003 0.000 0.824 13 L CB 0.746 42.818 42.059 0.020 0.000 1.221 13 L HN 0.709 nan 8.230 nan 0.000 0.418 14 I N 5.773 126.350 120.570 0.010 0.000 2.389 14 I HA 0.411 4.581 4.170 -0.000 0.000 0.288 14 I C -0.419 175.734 176.117 0.060 0.000 0.999 14 I CA -0.948 60.378 61.300 0.043 0.000 1.129 14 I CB 1.828 39.839 38.000 0.018 0.000 1.288 14 I HN 0.224 nan 8.210 nan 0.000 0.444 15 V N 4.383 124.380 119.914 0.137 0.000 2.607 15 V HA 0.316 4.436 4.120 -0.000 0.000 0.289 15 V C -0.003 176.152 176.094 0.102 0.000 1.053 15 V CA -0.463 61.949 62.300 0.187 0.000 0.996 15 V CB 1.272 33.230 31.823 0.226 0.000 0.995 15 V HN 0.632 nan 8.190 nan 0.000 0.476 16 E N 2.269 122.521 120.200 0.088 0.000 2.346 16 E HA 0.551 4.900 4.350 -0.000 0.000 0.239 16 E C -0.784 175.856 176.600 0.065 0.000 0.943 16 E CA 0.150 56.584 56.400 0.057 0.000 0.751 16 E CB 1.328 31.046 29.700 0.030 0.000 1.241 16 E HN 0.748 nan 8.360 nan 0.000 0.423 17 S N 2.984 118.724 115.700 0.068 0.000 2.546 17 S HA 0.464 4.934 4.470 -0.000 0.000 0.272 17 S C -2.188 172.447 174.600 0.058 0.000 1.140 17 S CA -1.294 56.948 58.200 0.069 0.000 0.920 17 S CB 1.057 64.313 63.200 0.093 0.000 1.083 17 S HN 0.242 nan 8.310 nan 0.000 0.476 18 P HA 0.103 nan 4.420 nan 0.000 0.234 18 P C 0.145 177.475 177.300 0.050 0.000 1.167 18 P CA 0.596 63.722 63.100 0.043 0.000 0.763 18 P CB -0.020 31.701 31.700 0.035 0.000 0.835 19 N N -0.551 118.188 118.700 0.065 0.000 2.214 19 N HA 0.128 4.868 4.740 -0.000 0.000 0.214 19 N C -0.403 175.161 175.510 0.090 0.000 1.132 19 N CA 0.085 53.182 53.050 0.079 0.000 0.856 19 N CB 1.137 39.680 38.487 0.094 0.000 1.020 19 N HN 0.015 nan 8.380 nan 0.000 0.509 20 V N 0.591 120.551 119.914 0.076 0.000 2.760 20 V HA 0.401 4.521 4.120 -0.000 0.000 0.309 20 V C -0.454 175.674 176.094 0.056 0.000 1.077 20 V CA -0.918 61.426 62.300 0.073 0.000 0.910 20 V CB 2.974 34.840 31.823 0.071 0.000 1.008 20 V HN -0.029 nan 8.190 nan 0.000 0.424 21 K N 4.348 124.778 120.400 0.050 0.000 2.565 21 K HA 0.619 4.939 4.320 -0.000 0.000 0.249 21 K C -1.750 174.864 176.600 0.024 0.000 0.958 21 K CA -0.593 55.715 56.287 0.035 0.000 0.806 21 K CB 2.104 34.623 32.500 0.032 0.000 1.194 21 K HN 0.656 nan 8.250 nan 0.000 0.434 22 L N 3.392 124.626 121.223 0.018 0.000 2.305 22 L HA 0.412 4.752 4.340 -0.000 0.000 0.281 22 L C -0.865 176.006 176.870 0.002 0.000 1.085 22 L CA 0.204 55.049 54.840 0.009 0.000 0.813 22 L CB 0.809 42.873 42.059 0.009 0.000 1.157 22 L HN 0.798 nan 8.230 nan 0.000 0.436 23 E N 3.390 123.585 120.200 -0.007 0.000 2.307 23 E HA 0.186 4.535 4.350 -0.000 0.000 0.280 23 E C -1.255 175.334 176.600 -0.020 0.000 0.900 23 E CA -0.502 55.891 56.400 -0.012 0.000 0.790 23 E CB 1.249 30.940 29.700 -0.015 0.000 1.261 23 E HN 0.737 nan 8.360 nan 0.000 0.405 24 D N 2.359 122.750 120.400 -0.015 0.000 3.017 24 D HA -0.170 4.470 4.640 -0.000 0.000 0.220 24 D C 0.635 176.925 176.300 -0.017 0.000 1.141 24 D CA 1.561 55.550 54.000 -0.017 0.000 0.848 24 D CB -1.308 39.477 40.800 -0.025 0.000 1.102 24 D HN 0.905 nan 8.370 nan 0.000 0.427 25 G N -1.506 107.286 108.800 -0.013 0.000 2.155 25 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.257 25 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.257 25 G C 0.423 175.313 174.900 -0.016 0.000 0.983 25 G CA 1.004 46.097 45.100 -0.012 0.000 0.676 25 G HN 1.433 nan 8.290 nan 0.000 0.528 26 V N -1.809 118.092 119.914 -0.023 0.000 2.881 26 V HA 0.925 5.045 4.120 -0.000 0.000 0.316 26 V C -0.080 176.002 176.094 -0.020 0.000 1.070 26 V CA -1.267 61.016 62.300 -0.028 0.000 0.976 26 V CB 2.137 33.930 31.823 -0.049 0.000 1.038 26 V HN 0.831 nan 8.190 nan 0.000 0.446 27 L N 3.021 124.237 121.223 -0.011 0.000 2.325 27 L HA 0.601 4.940 4.340 -0.000 0.000 0.281 27 L C -0.145 176.745 176.870 0.034 0.000 1.004 27 L CA -0.026 54.817 54.840 0.006 0.000 0.823 27 L CB 1.377 43.435 42.059 -0.001 0.000 1.236 27 L HN 0.950 nan 8.230 nan 0.000 0.415 28 E N 2.916 123.143 120.200 0.045 0.000 2.249 28 E HA 0.396 4.745 4.350 -0.000 0.000 0.280 28 E C -1.347 175.331 176.600 0.130 0.000 1.016 28 E CA -0.191 56.264 56.400 0.092 0.000 0.830 28 E CB 1.559 31.299 29.700 0.067 0.000 1.081 28 E HN 0.519 nan 8.360 nan 0.000 0.395 29 S N 4.074 119.901 115.700 0.211 0.000 2.750 29 S HA 0.249 4.718 4.470 -0.000 0.000 0.276 29 S C -0.907 173.869 174.600 0.294 0.000 1.165 29 S CA -0.758 57.588 58.200 0.245 0.000 1.047 29 S CB 0.685 64.042 63.200 0.263 0.000 1.056 29 S HN 0.572 nan 8.310 nan 0.000 0.481 30 R N 4.156 124.784 120.500 0.214 0.000 2.254 30 R HA 0.526 4.865 4.340 -0.000 0.000 0.318 30 R C -1.464 175.007 176.300 0.286 0.000 1.031 30 R CA -0.333 55.873 56.100 0.175 0.000 0.905 30 R CB 0.533 30.897 30.300 0.105 0.000 1.050 30 R HN 0.488 nan 8.270 nan 0.000 0.456 31 F N 3.066 123.094 119.950 0.131 0.000 2.493 31 F HA 0.348 4.874 4.527 -0.001 0.000 0.329 31 F C -1.008 174.925 175.800 0.221 0.000 1.126 31 F CA -0.549 57.585 58.000 0.223 0.000 0.937 31 F CB 2.279 41.539 39.000 0.433 0.000 1.146 31 F HN 0.428 nan 8.300 nan 0.000 0.442 32 T N 6.958 121.228 114.554 -0.472 0.000 2.747 32 T HA 0.126 4.475 4.350 -0.000 0.000 0.301 32 T C -1.212 173.044 174.700 -0.739 0.000 0.952 32 T CA 0.070 61.923 62.100 -0.411 0.000 0.983 32 T CB -0.456 68.291 68.868 -0.203 0.000 0.930 32 T HN 0.451 nan 8.240 nan 0.000 0.494 33 Y N 4.788 124.778 120.300 -0.516 0.000 2.365 33 Y HA 0.334 4.884 4.550 -0.001 0.000 0.340 33 Y C 0.451 176.359 175.900 0.013 0.000 1.016 33 Y CA -1.302 56.644 58.100 -0.257 0.000 1.196 33 Y CB 0.401 39.009 38.460 0.246 0.000 1.167 33 Y HN 0.446 nan 8.280 nan 0.000 0.509 34 R N 6.425 126.659 120.500 -0.445 0.000 2.210 34 R HA 0.257 4.596 4.340 -0.000 0.000 0.338 34 R C -0.732 175.207 176.300 -0.602 0.000 1.062 34 R CA -0.467 55.411 56.100 -0.370 0.000 0.902 34 R CB 0.707 30.890 30.300 -0.196 0.000 1.050 34 R HN 0.592 nan 8.270 nan 0.000 0.461 35 K N 2.764 122.938 120.400 -0.377 0.000 2.443 35 K HA 0.241 4.561 4.320 -0.000 0.000 0.252 35 K C -0.843 175.658 176.600 -0.165 0.000 0.933 35 K CA -0.799 55.279 56.287 -0.347 0.000 0.792 35 K CB 1.297 33.591 32.500 -0.344 0.000 1.185 35 K HN 0.338 nan 8.250 nan 0.000 0.425 36 N N 2.485 121.029 118.700 -0.259 0.000 2.529 36 N HA 0.189 4.929 4.740 -0.000 0.000 0.278 36 N C -0.959 174.110 175.510 -0.735 0.000 1.146 36 N CA -0.054 52.748 53.050 -0.413 0.000 0.980 36 N CB 0.671 38.873 38.487 -0.475 0.000 1.124 36 N HN 0.498 nan 8.380 nan 0.000 0.458 37 H N 1.306 119.988 119.070 -0.647 0.000 2.572 37 H HA 0.402 4.957 4.556 -0.001 0.000 0.359 37 H C -0.616 174.313 175.328 -0.666 0.000 1.134 37 H CA -0.345 55.398 56.048 -0.509 0.000 1.187 37 H CB 1.213 30.873 29.762 -0.169 0.000 1.597 37 H HN 0.345 nan 8.280 nan 0.000 0.524 38 F N 0.450 120.444 119.950 0.072 0.000 2.556 38 F HA 0.397 4.924 4.527 -0.001 0.000 0.327 38 F C 0.227 175.982 175.800 -0.074 0.000 1.059 38 F CA -0.696 57.279 58.000 -0.042 0.000 0.953 38 F CB 1.965 40.891 39.000 -0.124 0.000 1.227 38 F HN 0.363 nan 8.300 nan 0.000 0.478 39 E N 0.634 120.852 120.200 0.030 0.000 2.291 39 E HA 0.217 4.566 4.350 -0.000 0.000 0.276 39 E C -1.524 175.018 176.600 -0.098 0.000 0.896 39 E CA -0.832 55.555 56.400 -0.021 0.000 0.774 39 E CB 1.637 31.337 29.700 -0.000 0.000 1.227 39 E HN 0.562 nan 8.360 nan 0.000 0.413 40 H N 3.100 122.249 119.070 0.132 0.000 2.604 40 H HA 0.406 4.962 4.556 -0.001 0.000 0.306 40 H C -0.001 175.383 175.328 0.093 0.000 1.075 40 H CA -0.386 55.733 56.048 0.120 0.000 1.357 40 H CB 0.821 30.630 29.762 0.078 0.000 1.426 40 H HN 0.153 nan 8.280 nan 0.000 0.470 41 R N 0.920 121.548 120.500 0.215 0.000 2.837 41 R HA 0.360 4.699 4.340 -0.000 0.000 0.271 41 R C 0.945 177.331 176.300 0.142 0.000 0.993 41 R CA -0.598 55.587 56.100 0.141 0.000 0.931 41 R CB 1.404 31.756 30.300 0.086 0.000 1.206 41 R HN 0.646 nan 8.270 nan 0.000 0.474 42 A N 1.185 124.064 122.820 0.097 0.000 1.929 42 A HA -0.301 4.018 4.320 -0.000 0.000 0.221 42 A C 1.221 178.857 177.584 0.087 0.000 1.211 42 A CA 2.661 54.745 52.037 0.079 0.000 0.657 42 A CB -0.636 18.398 19.000 0.057 0.000 0.827 42 A HN 0.805 nan 8.150 nan 0.000 0.462 43 D N -2.521 117.947 120.400 0.112 0.000 2.347 43 D HA 0.389 5.029 4.640 -0.000 0.000 0.213 43 D C 0.982 177.329 176.300 0.077 0.000 0.985 43 D CA 1.233 55.290 54.000 0.095 0.000 0.879 43 D CB -0.155 40.708 40.800 0.105 0.000 0.919 43 D HN 0.940 nan 8.370 nan 0.000 0.526 44 G N -0.596 108.273 108.800 0.115 0.000 2.334 44 G HA2 0.203 4.163 3.960 -0.000 0.000 0.249 44 G HA3 0.203 4.163 3.960 -0.000 0.000 0.249 44 G C -2.078 172.895 174.900 0.122 0.000 1.327 44 G CA -0.504 44.642 45.100 0.077 0.000 0.979 44 G HN 0.236 nan 8.290 nan 0.000 0.471 45 L N 2.049 123.297 121.223 0.042 0.000 2.257 45 L HA 0.587 4.926 4.340 -0.000 0.000 0.290 45 L C -0.086 176.782 176.870 -0.003 0.000 1.044 45 L CA -0.703 54.173 54.840 0.060 0.000 0.810 45 L CB 0.371 42.465 42.059 0.059 0.000 1.193 45 L HN 0.578 nan 8.230 nan 0.000 0.425 46 H N 4.822 123.895 119.070 0.005 0.000 2.517 46 H HA 0.426 4.982 4.556 -0.000 0.000 0.317 46 H C -0.896 174.432 175.328 -0.000 0.000 1.080 46 H CA -0.716 55.334 56.048 0.004 0.000 1.301 46 H CB 1.616 31.374 29.762 -0.007 0.000 1.425 46 H HN 0.322 nan 8.280 nan 0.000 0.471 47 V N 4.136 124.081 119.914 0.052 0.000 2.357 47 V HA 0.131 4.250 4.120 -0.000 0.000 0.284 47 V C 0.325 176.365 176.094 -0.090 0.000 1.018 47 V CA -0.596 61.663 62.300 -0.069 0.000 0.841 47 V CB 1.511 33.314 31.823 -0.032 0.000 0.991 47 V HN 0.775 nan 8.190 nan 0.000 0.437 48 T N 7.857 122.326 114.554 -0.141 0.000 2.874 48 T HA 0.356 4.706 4.350 -0.000 0.000 0.321 48 T C -2.586 172.061 174.700 -0.089 0.000 1.075 48 T CA -1.171 60.877 62.100 -0.088 0.000 0.966 48 T CB 1.346 70.175 68.868 -0.065 0.000 1.001 48 T HN 0.455 nan 8.240 nan 0.000 0.476 49 P HA 0.300 nan 4.420 nan 0.000 0.276 49 P C -0.568 176.709 177.300 -0.040 0.000 1.243 49 P CA -0.392 62.672 63.100 -0.060 0.000 0.768 49 P CB 0.902 32.562 31.700 -0.067 0.000 0.856 50 K N 2.241 122.653 120.400 0.019 0.000 2.395 50 K HA 0.492 4.812 4.320 -0.000 0.000 0.245 50 K C -0.175 176.392 176.600 -0.055 0.000 1.017 50 K CA -0.885 55.370 56.287 -0.053 0.000 0.852 50 K CB 2.221 34.642 32.500 -0.133 0.000 1.311 50 K HN 0.419 nan 8.250 nan 0.000 0.452 51 E N 1.129 121.213 120.200 -0.194 0.000 2.212 51 E HA 0.337 4.687 4.350 -0.000 0.000 0.268 51 E C -1.225 175.194 176.600 -0.303 0.000 0.902 51 E CA -0.859 55.456 56.400 -0.142 0.000 0.779 51 E CB 1.757 31.381 29.700 -0.127 0.000 1.172 51 E HN 0.457 nan 8.360 nan 0.000 0.409 52 H N 0.780 119.853 119.070 0.005 0.000 2.991 52 H HA 0.214 4.770 4.556 -0.001 0.000 0.304 52 H C -1.345 173.970 175.328 -0.021 0.000 1.040 52 H CA -0.781 55.279 56.048 0.021 0.000 1.410 52 H CB 0.715 30.573 29.762 0.160 0.000 1.529 52 H HN 0.273 nan 8.280 nan 0.000 0.509 53 D N 2.533 122.917 120.400 -0.027 0.000 2.339 53 D HA 0.041 4.681 4.640 -0.000 0.000 0.256 53 D C -0.267 175.976 176.300 -0.095 0.000 1.214 53 D CA 0.237 54.214 54.000 -0.038 0.000 0.877 53 D CB 0.292 41.058 40.800 -0.056 0.000 1.111 53 D HN 0.431 nan 8.370 nan 0.000 0.478 54 Y N 0.650 120.911 120.300 -0.064 0.000 2.334 54 Y HA 0.283 4.833 4.550 -0.000 0.000 0.328 54 Y C 0.805 176.488 175.900 -0.362 0.000 1.130 54 Y CA -0.394 57.561 58.100 -0.242 0.000 1.163 54 Y CB 1.673 39.874 38.460 -0.432 0.000 1.207 54 Y HN 0.143 nan 8.280 nan 0.000 0.471 55 S N 4.460 120.049 115.700 -0.185 0.000 2.594 55 S HA 0.551 5.021 4.470 -0.000 0.000 0.322 55 S C -1.259 173.355 174.600 0.022 0.000 1.085 55 S CA -0.608 57.550 58.200 -0.071 0.000 1.116 55 S CB -0.377 62.838 63.200 0.025 0.000 0.979 55 S HN 0.411 nan 8.310 nan 0.000 0.465 56 F N 3.256 123.412 119.950 0.343 0.000 2.397 56 F HA 0.553 5.080 4.527 -0.000 0.000 0.331 56 F C 0.814 176.758 175.800 0.240 0.000 1.090 56 F CA -0.738 57.446 58.000 0.307 0.000 1.065 56 F CB 1.153 40.262 39.000 0.182 0.000 1.184 56 F HN 0.273 nan 8.300 nan 0.000 0.499 57 K N 1.029 121.658 120.400 0.382 0.000 2.324 57 K HA 0.587 4.906 4.320 -0.000 0.000 0.253 57 K C -1.172 175.480 176.600 0.086 0.000 0.932 57 K CA -0.743 55.622 56.287 0.129 0.000 0.799 57 K CB 2.146 34.584 32.500 -0.104 0.000 1.154 57 K HN 0.575 nan 8.250 nan 0.000 0.425 58 T N 1.735 116.307 114.554 0.030 0.000 2.864 58 T HA 0.173 4.523 4.350 -0.000 0.000 0.299 58 T C -0.290 174.397 174.700 -0.022 0.000 1.011 58 T CA -0.643 61.450 62.100 -0.012 0.000 0.975 58 T CB 1.087 69.931 68.868 -0.041 0.000 0.962 58 T HN 0.177 nan 8.240 nan 0.000 0.448 59 V N 5.289 125.190 119.914 -0.022 0.000 2.540 59 V HA 0.051 4.170 4.120 -0.000 0.000 0.297 59 V C 1.432 177.515 176.094 -0.019 0.000 1.024 59 V CA 0.372 62.661 62.300 -0.018 0.000 1.105 59 V CB 0.267 32.085 31.823 -0.009 0.000 0.938 59 V HN 0.865 nan 8.190 nan 0.000 0.482 60 L N 3.305 124.518 121.223 -0.017 0.000 2.375 60 L HA 0.165 4.504 4.340 -0.000 0.000 0.215 60 L C 1.465 178.329 176.870 -0.012 0.000 1.108 60 L CA 0.528 55.357 54.840 -0.018 0.000 0.830 60 L CB -0.050 42.000 42.059 -0.015 0.000 0.959 60 L HN 0.534 nan 8.230 nan 0.000 0.457 61 K N 1.908 122.304 120.400 -0.006 0.000 2.262 61 K HA 0.268 4.587 4.320 -0.000 0.000 0.282 61 K C -2.350 174.251 176.600 0.002 0.000 1.066 61 K CA -1.944 54.342 56.287 -0.002 0.000 0.901 61 K CB 1.281 33.780 32.500 -0.000 0.000 1.089 61 K HN -0.193 nan 8.250 nan 0.000 0.476 62 P HA 0.067 nan 4.420 nan 0.000 0.265 62 P C -0.744 176.565 177.300 0.014 0.000 1.193 62 P CA -0.094 63.012 63.100 0.009 0.000 0.765 62 P CB 0.550 32.253 31.700 0.005 0.000 0.823 63 R N 1.936 122.451 120.500 0.027 0.000 2.679 63 R HA 0.201 4.541 4.340 -0.000 0.000 0.269 63 R C 0.613 176.928 176.300 0.025 0.000 1.076 63 R CA -0.285 55.834 56.100 0.031 0.000 1.160 63 R CB 0.206 30.536 30.300 0.050 0.000 1.054 63 R HN 0.346 nan 8.270 nan 0.000 0.507 64 K N 0.922 121.333 120.400 0.018 0.000 2.412 64 K HA 0.049 4.369 4.320 -0.000 0.000 0.284 64 K C -0.867 175.739 176.600 0.011 0.000 1.046 64 K CA 0.548 56.838 56.287 0.005 0.000 0.999 64 K CB 0.411 32.910 32.500 -0.003 0.000 0.941 64 K HN 0.475 nan 8.250 nan 0.000 0.474 65 T N 2.743 117.301 114.554 0.006 0.000 2.840 65 T HA 0.364 4.713 4.350 -0.000 0.000 0.287 65 T C -0.344 174.378 174.700 0.036 0.000 0.991 65 T CA -0.725 61.398 62.100 0.039 0.000 0.964 65 T CB 1.624 70.524 68.868 0.054 0.000 0.954 65 T HN 0.688 nan 8.240 nan 0.000 0.438 66 G N 2.072 110.926 108.800 0.090 0.000 2.371 66 G HA2 0.645 4.605 3.960 -0.000 0.000 0.326 66 G HA3 0.645 4.605 3.960 -0.000 0.000 0.326 66 G C -1.327 173.777 174.900 0.341 0.000 1.127 66 G CA -0.482 44.758 45.100 0.232 0.000 0.885 66 G HN 0.601 nan 8.290 nan 0.000 0.477 67 L N 2.045 123.440 121.223 0.287 0.000 2.356 67 L HA 0.677 5.017 4.340 -0.000 0.000 0.277 67 L C -0.944 175.911 176.870 -0.026 0.000 0.996 67 L CA -0.720 54.206 54.840 0.143 0.000 0.822 67 L CB 1.665 43.783 42.059 0.100 0.000 1.256 67 L HN 0.390 nan 8.230 nan 0.000 0.413 68 L N 6.308 127.489 121.223 -0.069 0.000 2.298 68 L HA 0.523 4.863 4.340 -0.000 0.000 0.284 68 L C -0.850 175.996 176.870 -0.041 0.000 1.013 68 L CA -0.382 54.309 54.840 -0.248 0.000 0.824 68 L CB 1.423 43.319 42.059 -0.272 0.000 1.221 68 L HN 0.513 nan 8.230 nan 0.000 0.418 69 L N 4.212 125.370 121.223 -0.109 0.000 2.295 69 L HA 0.531 4.871 4.340 -0.000 0.000 0.285 69 L C -0.296 176.563 176.870 -0.019 0.000 1.035 69 L CA -1.005 53.807 54.840 -0.046 0.000 0.806 69 L CB 1.934 43.950 42.059 -0.073 0.000 1.214 69 L HN 0.239 nan 8.230 nan 0.000 0.426 70 V N 1.815 121.643 119.914 -0.143 0.000 2.461 70 V HA 0.477 4.596 4.120 -0.000 0.000 0.275 70 V C 0.951 176.705 176.094 -0.566 0.000 1.047 70 V CA 0.142 62.176 62.300 -0.443 0.000 0.955 70 V CB 0.778 31.982 31.823 -1.032 0.000 0.988 70 V HN 1.075 nan 8.190 nan 0.000 0.471 71 G N 3.841 112.392 108.800 -0.415 0.000 2.204 71 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 71 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 71 G C 0.305 175.100 174.900 -0.174 0.000 1.062 71 G CA 0.196 45.109 45.100 -0.311 0.000 0.798 71 G HN 0.902 nan 8.290 nan 0.000 0.496 72 L N 0.369 121.520 121.223 -0.121 0.000 2.191 72 L HA 0.268 4.607 4.340 -0.000 0.000 0.212 72 L C 2.310 179.147 176.870 -0.055 0.000 1.103 72 L CA 3.130 57.919 54.840 -0.085 0.000 0.769 72 L CB -0.261 41.742 42.059 -0.093 0.000 0.908 72 L HN 0.458 nan 8.230 nan 0.000 0.438 73 G N -1.195 107.572 108.800 -0.055 0.000 3.141 73 G HA2 0.284 4.244 3.960 -0.000 0.000 0.218 73 G HA3 0.284 4.244 3.960 -0.000 0.000 0.218 73 G C 0.755 175.629 174.900 -0.043 0.000 1.170 73 G CA 0.214 45.293 45.100 -0.034 0.000 0.769 73 G HN 0.589 nan 8.290 nan 0.000 0.546 74 G N 0.348 109.111 108.800 -0.061 0.000 2.553 74 G HA2 0.222 4.182 3.960 -0.000 0.000 0.278 74 G HA3 0.222 4.182 3.960 -0.000 0.000 0.278 74 G C 0.858 175.725 174.900 -0.055 0.000 1.349 74 G CA -0.301 44.762 45.100 -0.062 0.000 1.037 74 G HN 0.115 nan 8.290 nan 0.000 0.508 75 N N 0.227 118.891 118.700 -0.060 0.000 2.039 75 N HA -0.131 4.608 4.740 -0.000 0.000 0.193 75 N C 2.142 177.593 175.510 -0.099 0.000 1.044 75 N CA 1.418 54.419 53.050 -0.081 0.000 0.847 75 N CB -0.285 38.154 38.487 -0.081 0.000 1.030 75 N HN 0.423 nan 8.380 nan 0.000 0.422 76 N N 0.263 118.910 118.700 -0.087 0.000 2.043 76 N HA -0.086 4.653 4.740 -0.000 0.000 0.193 76 N C 1.862 177.315 175.510 -0.095 0.000 1.037 76 N CA 1.458 54.437 53.050 -0.118 0.000 0.851 76 N CB -1.059 37.369 38.487 -0.098 0.000 1.027 76 N HN 0.338 nan 8.380 nan 0.000 0.422 77 G N 0.733 109.494 108.800 -0.064 0.000 2.514 77 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 77 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 77 G C 1.710 176.608 174.900 -0.003 0.000 1.198 77 G CA 1.926 46.999 45.100 -0.044 0.000 0.780 77 G HN 0.528 nan 8.290 nan 0.000 0.565 78 S N -0.467 115.239 115.700 0.010 0.000 2.423 78 S HA -0.064 4.406 4.470 -0.000 0.000 0.231 78 S C 2.204 176.900 174.600 0.160 0.000 1.014 78 S CA 1.946 60.194 58.200 0.080 0.000 0.965 78 S CB -0.538 62.704 63.200 0.071 0.000 0.785 78 S HN 0.282 nan 8.310 nan 0.000 0.495 79 T N 2.559 117.153 114.554 0.066 0.000 2.770 79 T HA 0.193 4.543 4.350 -0.000 0.000 0.263 79 T C 2.281 177.090 174.700 0.182 0.000 1.039 79 T CA 1.147 63.293 62.100 0.076 0.000 1.142 79 T CB -0.801 67.928 68.868 -0.231 0.000 0.868 79 T HN 0.598 nan 8.240 nan 0.000 0.435 80 A N 1.212 124.064 122.820 0.053 0.000 1.892 80 A HA -0.129 4.190 4.320 -0.000 0.000 0.218 80 A C 2.554 180.291 177.584 0.255 0.000 1.188 80 A CA 1.885 53.980 52.037 0.096 0.000 0.631 80 A CB -1.153 17.828 19.000 -0.032 0.000 0.822 80 A HN 0.364 nan 8.150 nan 0.000 0.447 81 V N -0.240 119.760 119.914 0.142 0.000 2.270 81 V HA -0.124 3.996 4.120 -0.000 0.000 0.245 81 V C 2.868 179.005 176.094 0.072 0.000 1.043 81 V CA 1.848 64.175 62.300 0.046 0.000 1.014 81 V CB -1.704 30.153 31.823 0.058 0.000 0.645 81 V HN 0.614 nan 8.190 nan 0.000 0.447 82 G N 0.060 109.000 108.800 0.234 0.000 2.491 82 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 82 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 82 G C 1.815 176.770 174.900 0.091 0.000 1.180 82 G CA 1.434 46.647 45.100 0.189 0.000 0.774 82 G HN 0.526 nan 8.290 nan 0.000 0.562 83 S N 0.470 116.332 115.700 0.271 0.000 2.402 83 S HA -0.008 4.462 4.470 -0.000 0.000 0.229 83 S C 2.251 176.923 174.600 0.118 0.000 1.021 83 S CA 0.803 59.139 58.200 0.226 0.000 0.974 83 S CB -0.169 63.270 63.200 0.399 0.000 0.800 83 S HN 0.403 nan 8.310 nan 0.000 0.484 84 I N 0.603 121.232 120.570 0.099 0.000 2.142 84 I HA -0.199 3.970 4.170 -0.000 0.000 0.240 84 I C 1.968 178.049 176.117 -0.061 0.000 1.078 84 I CA 1.343 62.616 61.300 -0.045 0.000 1.343 84 I CB -0.418 37.450 38.000 -0.220 0.000 1.046 84 I HN 0.188 nan 8.210 nan 0.000 0.405 85 F N 1.081 121.011 119.950 -0.034 0.000 2.126 85 F HA -0.234 4.292 4.527 -0.000 0.000 0.299 85 F C 2.619 178.352 175.800 -0.112 0.000 1.096 85 F CA 1.295 59.224 58.000 -0.119 0.000 1.255 85 F CB -1.236 37.597 39.000 -0.278 0.000 0.997 85 F HN 0.026 nan 8.300 nan 0.000 0.479 86 A N 0.037 122.891 122.820 0.057 0.000 1.902 86 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 86 A C 2.187 179.771 177.584 0.000 0.000 1.181 86 A CA 1.843 53.871 52.037 -0.014 0.000 0.623 86 A CB -0.839 18.107 19.000 -0.090 0.000 0.818 86 A HN 0.424 nan 8.150 nan 0.000 0.443 87 N N -0.558 118.097 118.700 -0.075 0.000 2.270 87 N HA -0.149 4.591 4.740 -0.000 0.000 0.181 87 N C 1.936 177.401 175.510 -0.076 0.000 1.016 87 N CA 1.303 54.262 53.050 -0.152 0.000 0.870 87 N CB -0.212 38.013 38.487 -0.436 0.000 0.979 87 N HN 0.641 nan 8.380 nan 0.000 0.431 88 Q N -0.170 119.594 119.800 -0.059 0.000 2.096 88 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 88 Q C 0.773 176.570 176.000 -0.338 0.000 0.982 88 Q CA 1.486 57.173 55.803 -0.193 0.000 0.850 88 Q CB -0.069 28.529 28.738 -0.234 0.000 0.901 88 Q HN 0.505 nan 8.270 nan 0.000 0.422 89 Y N -1.119 119.140 120.300 -0.068 0.000 2.468 89 Y HA 0.355 4.905 4.550 -0.000 0.000 0.268 89 Y C 0.644 176.525 175.900 -0.032 0.000 1.177 89 Y CA 0.078 58.145 58.100 -0.055 0.000 1.265 89 Y CB 0.429 38.823 38.460 -0.109 0.000 1.103 89 Y HN 0.055 nan 8.280 nan 0.000 0.522 90 A N 0.563 123.418 122.820 0.058 0.000 2.687 90 A HA -0.273 4.046 4.320 -0.000 0.000 0.299 90 A C 0.345 177.972 177.584 0.071 0.000 1.497 90 A CA 0.482 52.538 52.037 0.033 0.000 0.751 90 A CB -2.295 16.711 19.000 0.010 0.000 1.048 90 A HN 0.453 nan 8.150 nan 0.000 0.464 91 M N 0.850 120.517 119.600 0.111 0.000 2.245 91 M HA 0.350 4.830 4.480 -0.000 0.000 0.344 91 M C 0.912 177.344 176.300 0.220 0.000 1.170 91 M CA 1.096 56.492 55.300 0.159 0.000 1.135 91 M CB 0.367 33.051 32.600 0.141 0.000 1.574 91 M HN 0.807 nan 8.290 nan 0.000 0.452 92 T N -0.562 114.111 114.554 0.198 0.000 2.942 92 T HA 0.835 5.185 4.350 -0.000 0.000 0.289 92 T C -1.203 173.667 174.700 0.283 0.000 1.044 92 T CA -0.883 61.266 62.100 0.081 0.000 1.023 92 T CB 1.382 70.284 68.868 0.057 0.000 1.123 92 T HN 0.840 nan 8.240 nan 0.000 0.512 93 W N -0.762 120.519 121.300 -0.032 0.000 3.127 93 W HA 0.742 5.402 4.660 -0.000 0.000 0.330 93 W C -0.691 175.691 176.519 -0.228 0.000 1.187 93 W CA -1.300 55.986 57.345 -0.098 0.000 1.198 93 W CB 1.117 30.545 29.460 -0.053 0.000 1.408 93 W HN 0.419 nan 8.180 nan 0.000 0.529 94 R N 2.207 122.607 120.500 -0.167 0.000 2.590 94 R HA 0.383 4.723 4.340 -0.000 0.000 0.274 94 R C 0.198 176.434 176.300 -0.108 0.000 1.061 94 R CA 0.314 56.214 56.100 -0.333 0.000 1.081 94 R CB 1.060 31.227 30.300 -0.221 0.000 0.984 94 R HN 0.780 nan 8.270 nan 0.000 0.448 95 T N -1.937 112.535 114.554 -0.135 0.000 2.907 95 T HA 0.309 4.659 4.350 -0.000 0.000 0.290 95 T C 0.965 175.650 174.700 -0.026 0.000 1.066 95 T CA -1.011 61.072 62.100 -0.028 0.000 1.012 95 T CB 1.792 70.645 68.868 -0.024 0.000 1.184 95 T HN 0.375 nan 8.240 nan 0.000 0.522 96 K N 0.002 120.403 120.400 0.002 0.000 2.286 96 K HA -0.134 4.186 4.320 -0.000 0.000 0.203 96 K C 1.455 178.055 176.600 -0.000 0.000 1.045 96 K CA 1.692 57.981 56.287 0.003 0.000 0.935 96 K CB -0.061 32.446 32.500 0.011 0.000 0.737 96 K HN 0.614 nan 8.250 nan 0.000 0.460 97 E N -1.712 118.484 120.200 -0.006 0.000 2.452 97 E HA 0.150 4.499 4.350 -0.000 0.000 0.197 97 E C 0.738 177.338 176.600 -0.000 0.000 1.022 97 E CA 0.437 56.834 56.400 -0.005 0.000 0.890 97 E CB 1.122 30.816 29.700 -0.009 0.000 0.918 97 E HN 0.371 nan 8.360 nan 0.000 0.496 98 G N -0.686 108.114 108.800 0.000 0.000 1.930 98 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.054 98 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.054 98 G C -1.274 173.653 174.900 0.046 0.000 0.902 98 G CA -0.804 44.335 45.100 0.064 0.000 1.168 98 G HN 0.134 nan 8.290 nan 0.000 0.383 99 H N 0.097 119.072 119.070 -0.157 0.000 2.690 99 H HA 0.838 5.393 4.556 -0.000 0.000 0.368 99 H C -0.410 174.678 175.328 -0.400 0.000 1.150 99 H CA 0.086 55.980 56.048 -0.256 0.000 1.174 99 H CB 2.077 31.710 29.762 -0.214 0.000 1.684 99 H HN 0.527 nan 8.280 nan 0.000 0.538 100 S N 0.708 116.004 115.700 -0.672 0.000 2.621 100 S HA 0.556 5.026 4.470 -0.000 0.000 0.302 100 S C -0.638 173.240 174.600 -1.204 0.000 1.093 100 S CA -0.796 56.840 58.200 -0.940 0.000 1.017 100 S CB 2.255 64.819 63.200 -1.061 0.000 1.077 100 S HN 0.430 nan 8.310 nan 0.000 0.517 101 Q N 0.462 119.759 119.800 -0.839 0.000 2.377 101 Q HA 0.737 5.077 4.340 -0.000 0.000 0.271 101 Q C -0.538 175.301 176.000 -0.268 0.000 1.077 101 Q CA -0.878 54.636 55.803 -0.480 0.000 0.820 101 Q CB 1.770 30.354 28.738 -0.258 0.000 1.347 101 Q HN 1.075 nan 8.270 nan 0.000 0.444 102 A N 3.297 126.155 122.820 0.063 0.000 2.561 102 A HA 0.421 4.741 4.320 -0.000 0.000 0.234 102 A C 0.204 177.716 177.584 -0.120 0.000 1.055 102 A CA 0.755 52.859 52.037 0.111 0.000 0.756 102 A CB -0.464 18.570 19.000 0.057 0.000 0.986 102 A HN 0.957 nan 8.150 nan 0.000 0.505 103 N N -0.617 117.974 118.700 -0.182 0.000 3.344 103 N HA 0.430 5.170 4.740 -0.000 0.000 0.296 103 N C -1.230 174.101 175.510 -0.298 0.000 1.571 103 N CA -0.616 52.254 53.050 -0.301 0.000 0.844 103 N CB 0.415 38.641 38.487 -0.435 0.000 1.718 103 N HN 0.257 nan 8.380 nan 0.000 0.589 104 Y N -0.646 119.733 120.300 0.133 0.000 2.699 104 Y HA 0.482 5.032 4.550 -0.000 0.000 0.282 104 Y C -0.559 175.561 175.900 0.365 0.000 1.058 104 Y CA -1.005 57.233 58.100 0.231 0.000 1.194 104 Y CB -0.209 38.359 38.460 0.181 0.000 1.193 104 Y HN 0.293 nan 8.280 nan 0.000 0.562 105 F N 0.823 120.879 119.950 0.178 0.000 2.545 105 F HA 0.383 4.909 4.527 -0.001 0.000 0.348 105 F C 1.683 177.547 175.800 0.106 0.000 1.163 105 F CA 0.559 58.632 58.000 0.121 0.000 1.331 105 F CB 0.263 39.308 39.000 0.076 0.000 1.138 105 F HN 0.387 nan 8.300 nan 0.000 0.602 106 G N 1.277 110.200 108.800 0.204 0.000 2.168 106 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.263 106 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.263 106 G C 0.343 175.298 174.900 0.091 0.000 0.977 106 G CA 0.392 45.552 45.100 0.101 0.000 0.659 106 G HN 0.798 nan 8.290 nan 0.000 0.533 107 S N -0.383 115.402 115.700 0.143 0.000 2.430 107 S HA 0.505 4.975 4.470 -0.000 0.000 0.289 107 S C 1.769 176.399 174.600 0.050 0.000 1.143 107 S CA 0.035 58.299 58.200 0.107 0.000 1.067 107 S CB 1.342 64.642 63.200 0.167 0.000 0.964 107 S HN 0.603 nan 8.310 nan 0.000 0.485 108 V N 5.196 125.113 119.914 0.005 0.000 2.287 108 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 108 V C 2.819 178.816 176.094 -0.162 0.000 1.053 108 V CA 2.527 64.796 62.300 -0.051 0.000 1.027 108 V CB -1.401 30.383 31.823 -0.066 0.000 0.646 108 V HN 1.025 nan 8.190 nan 0.000 0.447 109 T N -2.547 111.894 114.554 -0.188 0.000 2.867 109 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 109 T C 1.730 176.481 174.700 0.085 0.000 1.057 109 T CA 1.091 63.104 62.100 -0.145 0.000 1.136 109 T CB -0.209 68.637 68.868 -0.036 0.000 0.874 109 T HN 0.394 nan 8.240 nan 0.000 0.466 110 Q N 1.026 120.868 119.800 0.069 0.000 2.376 110 Q HA 0.132 4.471 4.340 -0.000 0.000 0.206 110 Q C 2.215 178.308 176.000 0.155 0.000 0.921 110 Q CA 1.620 57.491 55.803 0.114 0.000 0.911 110 Q CB 0.274 29.076 28.738 0.106 0.000 1.032 110 Q HN 0.865 nan 8.270 nan 0.000 0.510 111 T N -4.335 110.293 114.554 0.123 0.000 3.046 111 T HA 0.455 4.805 4.350 -0.000 0.000 0.270 111 T C 0.637 175.376 174.700 0.064 0.000 0.920 111 T CA 0.263 62.413 62.100 0.084 0.000 0.874 111 T CB 0.176 69.052 68.868 0.014 0.000 1.214 111 T HN 0.082 nan 8.240 nan 0.000 0.536 112 A N 2.552 125.435 122.820 0.106 0.000 2.498 112 A HA 0.563 4.883 4.320 -0.000 0.000 0.239 112 A C 0.800 178.548 177.584 0.274 0.000 1.068 112 A CA 0.217 52.365 52.037 0.185 0.000 0.766 112 A CB -0.093 19.086 19.000 0.298 0.000 1.003 112 A HN 0.754 nan 8.150 nan 0.000 0.497 113 T N -1.046 113.679 114.554 0.286 0.000 2.950 113 T HA 0.704 5.053 4.350 -0.000 0.000 0.288 113 T C -0.404 174.593 174.700 0.494 0.000 1.035 113 T CA -0.734 61.577 62.100 0.352 0.000 1.028 113 T CB 1.363 70.409 68.868 0.298 0.000 1.109 113 T HN 0.712 nan 8.240 nan 0.000 0.514 114 V N 1.096 121.278 119.914 0.446 0.000 2.735 114 V HA 0.398 4.518 4.120 -0.000 0.000 0.310 114 V C -0.449 175.771 176.094 0.209 0.000 1.061 114 V CA -1.025 61.484 62.300 0.348 0.000 0.913 114 V CB 1.708 33.647 31.823 0.194 0.000 1.005 114 V HN 1.070 nan 8.190 nan 0.000 0.428 115 H N 4.308 123.321 119.070 -0.094 0.000 2.640 115 H HA 0.294 4.849 4.556 -0.000 0.000 0.297 115 H C -0.179 174.999 175.328 -0.251 0.000 1.073 115 H CA -0.941 54.784 56.048 -0.539 0.000 1.305 115 H CB 1.264 30.718 29.762 -0.513 0.000 1.404 115 H HN 0.456 nan 8.280 nan 0.000 0.459 116 L N 4.150 125.205 121.223 -0.278 0.000 2.446 116 L HA 0.266 4.605 4.340 -0.000 0.000 0.219 116 L C 1.464 178.127 176.870 -0.346 0.000 1.116 116 L CA 1.142 55.837 54.840 -0.242 0.000 0.844 116 L CB -0.830 41.101 42.059 -0.213 0.000 0.970 116 L HN 0.947 nan 8.230 nan 0.000 0.457 117 G N -1.617 106.864 108.800 -0.533 0.000 2.302 117 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.276 117 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.276 117 G C -1.922 172.967 174.900 -0.019 0.000 1.316 117 G CA -0.622 44.256 45.100 -0.370 0.000 0.988 117 G HN -0.099 nan 8.290 nan 0.000 0.479 118 Y N 1.236 121.529 120.300 -0.011 0.000 2.364 118 Y HA 0.634 5.183 4.550 -0.001 0.000 0.340 118 Y C -0.905 175.039 175.900 0.073 0.000 0.975 118 Y CA -0.682 57.497 58.100 0.132 0.000 1.089 118 Y CB 2.242 40.898 38.460 0.327 0.000 1.192 118 Y HN 0.620 nan 8.280 nan 0.000 0.454 119 D N 2.901 122.999 120.400 -0.503 0.000 2.392 119 D HA 0.260 4.899 4.640 -0.000 0.000 0.228 119 D C 0.232 176.260 176.300 -0.454 0.000 1.074 119 D CA -0.007 53.787 54.000 -0.343 0.000 0.838 119 D CB 1.812 42.469 40.800 -0.238 0.000 1.067 119 D HN 0.583 nan 8.370 nan 0.000 0.511 120 S N 2.372 118.001 115.700 -0.119 0.000 2.368 120 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 120 S C 1.977 176.562 174.600 -0.025 0.000 1.030 120 S CA 1.201 59.418 58.200 0.029 0.000 0.999 120 S CB -0.176 63.102 63.200 0.131 0.000 0.844 120 S HN 0.688 nan 8.310 nan 0.000 0.459 121 A N 1.348 124.143 122.820 -0.041 0.000 1.859 121 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 121 A C 2.358 179.915 177.584 -0.046 0.000 1.198 121 A CA 2.483 54.501 52.037 -0.032 0.000 0.629 121 A CB -1.454 17.527 19.000 -0.032 0.000 0.830 121 A HN 0.648 nan 8.150 nan 0.000 0.446 122 T N -3.302 111.200 114.554 -0.087 0.000 3.100 122 T HA 0.206 4.555 4.350 -0.000 0.000 0.253 122 T C 0.420 175.065 174.700 -0.093 0.000 1.118 122 T CA 0.702 62.756 62.100 -0.078 0.000 1.058 122 T CB -0.356 68.466 68.868 -0.078 0.000 0.953 122 T HN 0.600 nan 8.240 nan 0.000 0.515 123 Q N 0.386 120.099 119.800 -0.146 0.000 2.459 123 Q HA -0.159 4.181 4.340 -0.000 0.000 0.322 123 Q C -0.897 175.027 176.000 -0.127 0.000 1.427 123 Q CA 0.202 55.956 55.803 -0.080 0.000 0.861 123 Q CB -1.993 26.780 28.738 0.058 0.000 1.137 123 Q HN 0.660 nan 8.270 nan 0.000 0.394 124 N N 0.010 118.405 118.700 -0.508 0.000 2.371 124 N HA 0.146 4.886 4.740 -0.000 0.000 0.280 124 N C -1.374 174.011 175.510 -0.209 0.000 1.084 124 N CA -0.696 52.235 53.050 -0.198 0.000 0.892 124 N CB 1.247 39.667 38.487 -0.112 0.000 1.653 124 N HN 0.032 nan 8.380 nan 0.000 0.480 125 Q N 1.708 121.642 119.800 0.222 0.000 2.311 125 Q HA 0.201 4.541 4.340 -0.000 0.000 0.272 125 Q C -0.205 175.946 176.000 0.252 0.000 1.012 125 Q CA 0.315 56.340 55.803 0.370 0.000 0.891 125 Q CB 0.884 29.928 28.738 0.510 0.000 1.201 125 Q HN 0.496 nan 8.270 nan 0.000 0.391 126 I N 4.176 124.821 120.570 0.124 0.000 2.297 126 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 126 I C -0.357 175.736 176.117 -0.039 0.000 1.033 126 I CA -0.331 60.996 61.300 0.045 0.000 1.253 126 I CB -0.308 37.658 38.000 -0.058 0.000 1.396 126 I HN 0.403 nan 8.210 nan 0.000 0.476 127 F N 6.210 126.232 119.950 0.120 0.000 2.477 127 F HA 0.487 5.014 4.527 -0.000 0.000 0.335 127 F C 0.277 176.127 175.800 0.083 0.000 1.130 127 F CA -0.830 57.245 58.000 0.125 0.000 0.948 127 F CB 1.947 41.003 39.000 0.093 0.000 1.154 127 F HN 0.246 nan 8.300 nan 0.000 0.439 128 V N 1.698 121.745 119.914 0.221 0.000 2.815 128 V HA 0.730 4.850 4.120 -0.000 0.000 0.314 128 V C -2.839 173.369 176.094 0.191 0.000 1.064 128 V CA -3.295 59.098 62.300 0.155 0.000 0.952 128 V CB 1.700 33.566 31.823 0.072 0.000 1.020 128 V HN 0.412 nan 8.190 nan 0.000 0.439 129 P HA 0.096 nan 4.420 nan 0.000 0.265 129 P C 0.401 177.822 177.300 0.201 0.000 1.193 129 P CA 0.233 63.446 63.100 0.188 0.000 0.765 129 P CB 0.177 31.963 31.700 0.144 0.000 0.823 130 F N 4.919 124.931 119.950 0.103 0.000 2.111 130 F HA -0.299 4.227 4.527 -0.001 0.000 0.300 130 F C 1.914 177.741 175.800 0.045 0.000 1.088 130 F CA 1.916 59.957 58.000 0.069 0.000 1.243 130 F CB -0.149 38.894 39.000 0.072 0.000 0.996 130 F HN 0.295 nan 8.300 nan 0.000 0.483 131 K N -1.095 119.434 120.400 0.215 0.000 2.486 131 K HA -0.057 4.262 4.320 -0.000 0.000 0.194 131 K C 0.778 177.392 176.600 0.024 0.000 1.033 131 K CA 1.310 57.669 56.287 0.119 0.000 1.004 131 K CB -0.262 32.326 32.500 0.147 0.000 0.798 131 K HN 0.200 nan 8.250 nan 0.000 0.495 132 D N 1.165 121.579 120.400 0.023 0.000 2.348 132 D HA 0.107 4.746 4.640 -0.000 0.000 0.211 132 D C 1.648 177.955 176.300 0.012 0.000 0.998 132 D CA 0.341 54.355 54.000 0.024 0.000 0.873 132 D CB 0.116 40.945 40.800 0.049 0.000 0.925 132 D HN 0.255 nan 8.370 nan 0.000 0.524 133 I N 0.098 120.626 120.570 -0.070 0.000 2.185 133 I HA -0.076 4.094 4.170 -0.000 0.000 0.235 133 I C 0.863 176.891 176.117 -0.148 0.000 1.069 133 I CA 0.495 61.752 61.300 -0.072 0.000 1.354 133 I CB 0.033 37.892 38.000 -0.235 0.000 1.093 133 I HN -0.149 nan 8.210 nan 0.000 0.411 134 V N -1.518 118.254 119.914 -0.237 0.000 2.555 134 V HA 0.502 4.622 4.120 -0.000 0.000 0.302 134 V C -2.723 173.304 176.094 -0.112 0.000 1.038 134 V CA -2.535 59.662 62.300 -0.171 0.000 0.887 134 V CB 0.764 32.467 31.823 -0.200 0.000 0.991 134 V HN -0.039 nan 8.190 nan 0.000 0.434 135 P HA 0.357 nan 4.420 nan 0.000 0.263 135 P C -0.364 176.923 177.300 -0.022 0.000 1.195 135 P CA 0.414 63.496 63.100 -0.031 0.000 0.762 135 P CB 0.181 31.869 31.700 -0.020 0.000 0.799 136 I N -0.704 119.866 120.570 -0.001 0.000 3.074 136 I HA 0.469 4.639 4.170 -0.000 0.000 0.310 136 I C -0.540 175.583 176.117 0.011 0.000 1.153 136 I CA -1.742 59.568 61.300 0.017 0.000 0.993 136 I CB 1.399 39.436 38.000 0.062 0.000 1.237 136 I HN -0.011 nan 8.210 nan 0.000 0.443 137 L N 2.083 123.308 121.223 0.004 0.000 2.483 137 L HA 0.199 4.538 4.340 -0.000 0.000 0.275 137 L C 0.758 177.598 176.870 -0.050 0.000 1.220 137 L CA 0.311 55.138 54.840 -0.022 0.000 0.833 137 L CB 0.581 42.624 42.059 -0.026 0.000 1.102 137 L HN 0.780 nan 8.230 nan 0.000 0.490 138 S N 1.206 116.858 115.700 -0.080 0.000 2.617 138 S HA 0.419 4.888 4.470 -0.000 0.000 0.283 138 S C -1.871 172.582 174.600 -0.245 0.000 1.189 138 S CA -1.492 56.617 58.200 -0.150 0.000 1.036 138 S CB 1.513 64.661 63.200 -0.087 0.000 1.014 138 S HN 0.350 nan 8.310 nan 0.000 0.522 139 P HA 0.001 nan 4.420 nan 0.000 0.225 139 P C 0.625 177.713 177.300 -0.353 0.000 1.148 139 P CA 0.691 63.431 63.100 -0.601 0.000 0.779 139 P CB -0.004 30.884 31.700 -1.354 0.000 0.780 140 N N -0.511 118.073 118.700 -0.194 0.000 2.381 140 N HA -0.097 4.643 4.740 -0.000 0.000 0.182 140 N C 0.857 176.307 175.510 -0.099 0.000 1.025 140 N CA 1.058 54.052 53.050 -0.093 0.000 0.888 140 N CB -0.518 37.956 38.487 -0.023 0.000 0.965 140 N HN 0.246 nan 8.380 nan 0.000 0.438 141 D N 0.198 120.536 120.400 -0.103 0.000 2.339 141 D HA 0.103 4.742 4.640 -0.000 0.000 0.217 141 D C 0.247 176.504 176.300 -0.072 0.000 1.050 141 D CA 0.048 54.005 54.000 -0.071 0.000 0.856 141 D CB 0.718 41.486 40.800 -0.054 0.000 0.922 141 D HN 0.210 nan 8.370 nan 0.000 0.518 142 L N 1.346 122.510 121.223 -0.098 0.000 2.290 142 L HA 0.312 4.652 4.340 -0.000 0.000 0.284 142 L C 0.031 176.855 176.870 -0.076 0.000 1.078 142 L CA -0.619 54.180 54.840 -0.069 0.000 0.815 142 L CB 1.271 43.290 42.059 -0.067 0.000 1.162 142 L HN -0.313 nan 8.230 nan 0.000 0.435 143 I N 4.757 125.293 120.570 -0.056 0.000 2.331 143 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 143 I C -0.031 176.128 176.117 0.069 0.000 0.998 143 I CA 0.258 61.508 61.300 -0.083 0.000 1.267 143 I CB 1.039 38.875 38.000 -0.273 0.000 1.386 143 I HN 0.372 nan 8.210 nan 0.000 0.476 144 I N 5.409 126.002 120.570 0.038 0.000 2.418 144 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 144 I C 0.035 176.143 176.117 -0.016 0.000 1.008 144 I CA -0.132 61.187 61.300 0.032 0.000 1.104 144 I CB 1.826 39.807 38.000 -0.031 0.000 1.264 144 I HN 0.572 nan 8.210 nan 0.000 0.438 145 S N 3.556 119.113 115.700 -0.238 0.000 2.921 145 S HA 1.017 5.486 4.470 -0.000 0.000 0.315 145 S C -0.276 174.007 174.600 -0.528 0.000 1.087 145 S CA 0.070 58.044 58.200 -0.378 0.000 0.877 145 S CB 2.046 64.920 63.200 -0.542 0.000 1.340 145 S HN 0.985 nan 8.310 nan 0.000 0.622 146 G N -0.440 107.947 108.800 -0.688 0.000 2.356 146 G HA2 0.224 4.183 3.960 -0.000 0.000 0.266 146 G HA3 0.224 4.183 3.960 -0.000 0.000 0.266 146 G C -2.137 172.344 174.900 -0.698 0.000 1.312 146 G CA -0.636 43.950 45.100 -0.857 0.000 0.922 146 G HN 0.586 nan 8.290 nan 0.000 0.480 147 W N 0.147 121.386 121.300 -0.102 0.000 2.864 147 W HA 0.705 5.365 4.660 -0.000 0.000 0.343 147 W C -1.217 175.227 176.519 -0.125 0.000 1.109 147 W CA -0.383 56.927 57.345 -0.059 0.000 1.192 147 W CB 2.453 31.936 29.460 0.039 0.000 1.426 147 W HN 0.544 nan 8.180 nan 0.000 0.529 148 D N 1.443 121.932 120.400 0.148 0.000 2.927 148 D HA 0.165 4.805 4.640 -0.000 0.000 0.219 148 D C 0.809 177.114 176.300 0.009 0.000 1.248 148 D CA -0.419 53.592 54.000 0.019 0.000 0.861 148 D CB 2.307 43.092 40.800 -0.024 0.000 1.677 148 D HN 0.403 nan 8.370 nan 0.000 0.511 149 I N 0.127 120.665 120.570 -0.053 0.000 2.700 149 I HA -0.014 4.155 4.170 -0.000 0.000 0.261 149 I C 0.805 176.861 176.117 -0.102 0.000 1.219 149 I CA 0.597 61.837 61.300 -0.100 0.000 1.463 149 I CB -0.019 37.849 38.000 -0.220 0.000 1.092 149 I HN 0.013 nan 8.210 nan 0.000 0.452 150 S N 2.022 117.677 115.700 -0.075 0.000 2.462 150 S HA 0.187 4.656 4.470 -0.000 0.000 0.294 150 S C 0.725 175.311 174.600 -0.024 0.000 1.144 150 S CA -0.513 57.653 58.200 -0.057 0.000 1.088 150 S CB 0.986 64.150 63.200 -0.059 0.000 1.009 150 S HN 0.516 nan 8.310 nan 0.000 0.484 151 D N 2.974 123.366 120.400 -0.013 0.000 2.349 151 D HA 0.028 4.667 4.640 -0.000 0.000 0.224 151 D C 0.245 176.551 176.300 0.010 0.000 1.029 151 D CA 0.012 54.016 54.000 0.007 0.000 0.879 151 D CB -0.409 40.400 40.800 0.015 0.000 0.906 151 D HN 0.336 nan 8.370 nan 0.000 0.528 152 S N 1.223 116.924 115.700 0.001 0.000 2.593 152 S HA 0.004 4.474 4.470 -0.000 0.000 0.300 152 S C 0.409 175.022 174.600 0.022 0.000 1.267 152 S CA -0.228 57.977 58.200 0.007 0.000 1.065 152 S CB -0.226 62.968 63.200 -0.009 0.000 0.807 152 S HN 0.612 nan 8.310 nan 0.000 0.499 153 N N 2.379 121.104 118.700 0.042 0.000 2.467 153 N HA 0.134 4.873 4.740 -0.000 0.000 0.262 153 N C 0.728 176.287 175.510 0.083 0.000 1.234 153 N CA -0.632 52.458 53.050 0.067 0.000 0.952 153 N CB 0.252 38.793 38.487 0.089 0.000 1.158 153 N HN 0.485 nan 8.380 nan 0.000 0.463 154 L N -0.627 120.660 121.223 0.107 0.000 2.450 154 L HA -0.137 4.203 4.340 -0.000 0.000 0.224 154 L C 1.377 178.345 176.870 0.164 0.000 1.149 154 L CA 1.007 55.921 54.840 0.124 0.000 0.816 154 L CB -0.682 41.468 42.059 0.152 0.000 0.932 154 L HN 0.680 nan 8.230 nan 0.000 0.449 155 Y N 1.207 121.534 120.300 0.045 0.000 2.231 155 Y HA -0.148 4.402 4.550 -0.001 0.000 0.294 155 Y C 2.393 178.310 175.900 0.027 0.000 1.120 155 Y CA 1.297 59.417 58.100 0.033 0.000 1.141 155 Y CB -0.064 38.401 38.460 0.009 0.000 1.022 155 Y HN 0.138 nan 8.280 nan 0.000 0.523 156 E N 0.277 120.396 120.200 -0.136 0.000 2.153 156 E HA -0.173 4.176 4.350 -0.000 0.000 0.194 156 E C 2.283 178.800 176.600 -0.139 0.000 0.988 156 E CA 0.900 57.177 56.400 -0.205 0.000 0.811 156 E CB -0.278 29.383 29.700 -0.065 0.000 0.746 156 E HN 0.570 nan 8.360 nan 0.000 0.466 157 A N 1.004 123.789 122.820 -0.058 0.000 1.972 157 A HA -0.180 4.139 4.320 -0.000 0.000 0.219 157 A C 2.121 179.685 177.584 -0.034 0.000 1.169 157 A CA 1.259 53.277 52.037 -0.032 0.000 0.635 157 A CB -0.362 18.644 19.000 0.009 0.000 0.810 157 A HN 0.151 nan 8.150 nan 0.000 0.446 158 M N -0.972 118.612 119.600 -0.027 0.000 2.200 158 M HA -0.049 4.430 4.480 -0.000 0.000 0.265 158 M C 2.328 178.591 176.300 -0.062 0.000 1.066 158 M CA 1.275 56.586 55.300 0.017 0.000 1.127 158 M CB -0.487 32.176 32.600 0.106 0.000 1.379 158 M HN 0.511 nan 8.290 nan 0.000 0.420 159 G N -0.005 108.695 108.800 -0.166 0.000 2.422 159 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 159 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 159 G C 1.591 176.426 174.900 -0.110 0.000 1.146 159 G CA 0.693 45.693 45.100 -0.168 0.000 0.769 159 G HN 0.349 nan 8.290 nan 0.000 0.547 160 R N 0.350 120.791 120.500 -0.099 0.000 2.073 160 R HA 0.011 4.351 4.340 -0.000 0.000 0.234 160 R C 2.862 179.124 176.300 -0.064 0.000 1.134 160 R CA 1.589 57.647 56.100 -0.069 0.000 0.952 160 R CB -0.316 29.949 30.300 -0.059 0.000 0.850 160 R HN 0.300 nan 8.270 nan 0.000 0.433 161 A N 0.418 123.195 122.820 -0.071 0.000 1.929 161 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 161 A C 0.575 178.099 177.584 -0.101 0.000 1.176 161 A CA 1.393 53.380 52.037 -0.084 0.000 0.628 161 A CB 0.004 18.943 19.000 -0.101 0.000 0.816 161 A HN 0.448 nan 8.150 nan 0.000 0.444 162 K N -1.919 118.421 120.400 -0.101 0.000 3.251 162 K HA -0.144 4.175 4.320 -0.000 0.000 0.282 162 K C 0.536 177.050 176.600 -0.143 0.000 1.201 162 K CA 0.523 56.748 56.287 -0.103 0.000 0.827 162 K CB -2.280 30.166 32.500 -0.090 0.000 1.286 162 K HN 0.341 nan 8.250 nan 0.000 0.503 163 V N -0.620 119.161 119.914 -0.221 0.000 2.403 163 V HA 0.044 4.164 4.120 -0.000 0.000 0.239 163 V C 1.124 176.999 176.094 -0.365 0.000 1.041 163 V CA 1.067 63.154 62.300 -0.354 0.000 1.051 163 V CB -0.163 31.318 31.823 -0.571 0.000 0.704 163 V HN 0.188 nan 8.190 nan 0.000 0.472 164 F N 0.935 120.783 119.950 -0.169 0.000 2.429 164 F HA 0.362 4.889 4.527 -0.001 0.000 0.348 164 F C 0.874 176.524 175.800 -0.250 0.000 1.109 164 F CA -0.911 56.927 58.000 -0.271 0.000 1.232 164 F CB -0.008 38.827 39.000 -0.275 0.000 1.157 164 F HN 0.004 nan 8.300 nan 0.000 0.564 165 E N 3.409 123.524 120.200 -0.142 0.000 2.418 165 E HA 0.019 4.369 4.350 -0.000 0.000 0.261 165 E C -1.515 175.035 176.600 -0.084 0.000 1.070 165 E CA -1.469 54.859 56.400 -0.120 0.000 0.931 165 E CB 0.141 29.744 29.700 -0.161 0.000 0.954 165 E HN 0.295 nan 8.360 nan 0.000 0.439 166 P HA -0.201 nan 4.420 nan 0.000 0.214 166 P C 1.263 178.558 177.300 -0.008 0.000 1.163 166 P CA 1.481 64.576 63.100 -0.008 0.000 0.889 166 P CB 0.222 31.925 31.700 0.005 0.000 0.790 167 E N -0.747 119.451 120.200 -0.003 0.000 2.108 167 E HA -0.255 4.095 4.350 -0.000 0.000 0.203 167 E C 1.810 178.399 176.600 -0.020 0.000 1.022 167 E CA 1.229 57.640 56.400 0.018 0.000 0.823 167 E CB -0.581 29.168 29.700 0.081 0.000 0.744 167 E HN 0.024 nan 8.360 nan 0.000 0.456 168 L N 1.037 122.181 121.223 -0.131 0.000 2.201 168 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 168 L C 2.043 178.777 176.870 -0.227 0.000 1.105 168 L CA 1.542 56.229 54.840 -0.255 0.000 0.775 168 L CB -0.202 41.461 42.059 -0.659 0.000 0.913 168 L HN 0.138 nan 8.230 nan 0.000 0.440 169 Q N -0.911 118.828 119.800 -0.102 0.000 2.123 169 Q HA -0.187 4.152 4.340 -0.000 0.000 0.199 169 Q C 2.006 178.069 176.000 0.104 0.000 0.966 169 Q CA 1.385 57.200 55.803 0.019 0.000 0.845 169 Q CB 0.022 28.814 28.738 0.090 0.000 0.907 169 Q HN 0.426 nan 8.270 nan 0.000 0.439 170 E N 1.116 121.356 120.200 0.067 0.000 2.047 170 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 170 E C 1.685 178.269 176.600 -0.027 0.000 0.987 170 E CA 1.151 57.571 56.400 0.032 0.000 0.799 170 E CB 0.064 29.778 29.700 0.024 0.000 0.752 170 E HN 0.164 nan 8.360 nan 0.000 0.449 171 K N -0.093 120.294 120.400 -0.021 0.000 2.063 171 K HA -0.090 4.229 4.320 -0.000 0.000 0.208 171 K C 1.916 178.522 176.600 0.010 0.000 1.048 171 K CA 1.016 57.295 56.287 -0.014 0.000 0.928 171 K CB -0.173 32.324 32.500 -0.004 0.000 0.713 171 K HN 0.137 nan 8.250 nan 0.000 0.442 172 L N 0.447 121.653 121.223 -0.029 0.000 2.552 172 L HA -0.019 4.321 4.340 -0.000 0.000 0.227 172 L C 2.391 179.301 176.870 0.067 0.000 1.146 172 L CA 0.181 55.034 54.840 0.021 0.000 0.858 172 L CB -0.245 41.747 42.059 -0.113 0.000 0.969 172 L HN 0.166 nan 8.230 nan 0.000 0.451 173 R N 1.663 122.129 120.500 -0.056 0.000 2.094 173 R HA -0.166 4.173 4.340 -0.000 0.000 0.239 173 R C -0.620 175.500 176.300 -0.299 0.000 1.137 173 R CA 1.965 57.896 56.100 -0.281 0.000 0.943 173 R CB -1.223 28.722 30.300 -0.591 0.000 0.850 173 R HN 0.195 nan 8.270 nan 0.000 0.433 174 P HA -0.103 nan 4.420 nan 0.000 0.234 174 P C 0.340 177.251 177.300 -0.648 0.000 1.167 174 P CA 1.166 63.954 63.100 -0.520 0.000 0.763 174 P CB -0.010 31.296 31.700 -0.656 0.000 0.835 175 F N -1.477 118.237 119.950 -0.393 0.000 2.500 175 F HA 0.194 4.721 4.527 -0.001 0.000 0.285 175 F C 2.592 178.208 175.800 -0.306 0.000 1.088 175 F CA 0.562 58.206 58.000 -0.594 0.000 1.432 175 F CB -0.617 37.642 39.000 -1.234 0.000 1.131 175 F HN -0.282 nan 8.300 nan 0.000 0.582 176 M N -0.095 119.541 119.600 0.061 0.000 2.447 176 M HA -0.015 4.465 4.480 -0.000 0.000 0.266 176 M C 2.063 178.444 176.300 0.136 0.000 1.120 176 M CA 0.991 56.401 55.300 0.183 0.000 1.166 176 M CB -0.893 31.845 32.600 0.230 0.000 1.349 176 M HN 0.207 nan 8.290 nan 0.000 0.463 177 E N 1.034 121.270 120.200 0.060 0.000 2.058 177 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 177 E C -0.943 175.678 176.600 0.035 0.000 0.997 177 E CA 1.411 57.844 56.400 0.054 0.000 0.801 177 E CB -0.645 28.998 29.700 -0.095 0.000 0.746 177 E HN 0.220 nan 8.360 nan 0.000 0.450 178 P HA -0.088 nan 4.420 nan 0.000 0.223 178 P C -0.214 177.117 177.300 0.052 0.000 1.144 178 P CA 0.996 64.102 63.100 0.011 0.000 0.783 178 P CB -0.082 31.611 31.700 -0.011 0.000 0.771 179 I N -0.321 120.299 120.570 0.083 0.000 2.322 179 I HA 0.114 4.284 4.170 -0.000 0.000 0.292 179 I C -0.180 175.978 176.117 0.069 0.000 1.060 179 I CA -0.465 60.891 61.300 0.093 0.000 1.309 179 I CB 0.918 39.000 38.000 0.138 0.000 1.415 179 I HN -0.358 nan 8.210 nan 0.000 0.492 180 V N 8.222 128.165 119.914 0.049 0.000 2.409 180 V HA 0.349 4.469 4.120 -0.000 0.000 0.291 180 V C -2.053 174.051 176.094 0.018 0.000 1.020 180 V CA -1.686 60.635 62.300 0.036 0.000 0.848 180 V CB 1.593 33.438 31.823 0.037 0.000 0.990 180 V HN 0.583 nan 8.190 nan 0.000 0.430 181 P HA 0.218 nan 4.420 nan 0.000 0.269 181 P C -0.238 177.068 177.300 0.009 0.000 1.209 181 P CA -0.244 62.842 63.100 -0.023 0.000 0.776 181 P CB 0.467 32.161 31.700 -0.010 0.000 0.876 182 L N 3.815 125.024 121.223 -0.024 0.000 2.483 182 L HA 0.174 4.514 4.340 -0.000 0.000 0.275 182 L C -1.781 175.233 176.870 0.239 0.000 1.220 182 L CA -1.738 53.162 54.840 0.100 0.000 0.833 182 L CB -0.510 41.580 42.059 0.050 0.000 1.102 182 L HN 0.274 nan 8.230 nan 0.000 0.490 183 P HA 0.074 nan 4.420 nan 0.000 0.271 183 P C -0.639 176.789 177.300 0.213 0.000 1.218 183 P CA -0.144 63.059 63.100 0.172 0.000 0.780 183 P CB 1.381 33.143 31.700 0.103 0.000 0.901 184 S N 1.056 116.818 115.700 0.104 0.000 2.759 184 S HA 0.584 5.053 4.470 -0.000 0.000 0.310 184 S C -0.097 174.438 174.600 -0.109 0.000 1.123 184 S CA -0.974 57.261 58.200 0.059 0.000 0.959 184 S CB 0.465 63.747 63.200 0.137 0.000 1.172 184 S HN 0.243 nan 8.310 nan 0.000 0.539 185 I N 2.594 123.053 120.570 -0.184 0.000 2.441 185 I HA 0.217 4.386 4.170 -0.000 0.000 0.287 185 I C -1.065 174.943 176.117 -0.183 0.000 1.049 185 I CA -0.141 60.914 61.300 -0.408 0.000 1.381 185 I CB 0.497 38.133 38.000 -0.606 0.000 1.409 185 I HN 0.505 nan 8.210 nan 0.000 0.523 186 Y N 8.170 128.295 120.300 -0.293 0.000 2.363 186 Y HA 0.416 4.966 4.550 -0.000 0.000 0.325 186 Y C -1.567 174.393 175.900 0.099 0.000 0.984 186 Y CA -1.396 56.650 58.100 -0.091 0.000 1.248 186 Y CB 0.607 39.065 38.460 -0.003 0.000 1.116 186 Y HN 0.296 nan 8.280 nan 0.000 0.470 187 Y N 8.660 128.910 120.300 -0.083 0.000 2.587 187 Y HA 0.377 4.927 4.550 -0.001 0.000 0.328 187 Y C -1.795 173.995 175.900 -0.182 0.000 0.980 187 Y CA -3.545 54.483 58.100 -0.119 0.000 1.272 187 Y CB 0.944 39.485 38.460 0.134 0.000 1.094 187 Y HN 0.482 nan 8.280 nan 0.000 0.503 188 P HA -0.209 nan 4.420 nan 0.000 0.217 188 P C 1.033 178.338 177.300 0.008 0.000 1.151 188 P CA 2.025 64.933 63.100 -0.320 0.000 0.849 188 P CB 0.365 31.902 31.700 -0.272 0.000 0.787 189 D N -1.578 118.830 120.400 0.015 0.000 2.351 189 D HA -0.154 4.486 4.640 -0.000 0.000 0.216 189 D C 1.258 177.475 176.300 -0.138 0.000 0.968 189 D CA 0.906 54.868 54.000 -0.063 0.000 0.899 189 D CB -1.023 39.692 40.800 -0.142 0.000 0.907 189 D HN 0.259 nan 8.370 nan 0.000 0.514 190 F N 0.899 120.900 119.950 0.085 0.000 2.749 190 F HA 0.271 4.798 4.527 -0.001 0.000 0.300 190 F C 1.381 177.250 175.800 0.116 0.000 1.103 190 F CA -0.249 57.811 58.000 0.101 0.000 1.342 190 F CB 0.226 39.296 39.000 0.117 0.000 1.098 190 F HN -0.044 nan 8.300 nan 0.000 0.586 191 I N -3.196 117.524 120.570 0.250 0.000 3.457 191 I HA 0.798 4.968 4.170 -0.000 0.000 0.307 191 I C -0.162 176.042 176.117 0.145 0.000 1.138 191 I CA -1.786 59.639 61.300 0.209 0.000 0.974 191 I CB 1.167 39.316 38.000 0.248 0.000 1.324 191 I HN -0.284 nan 8.210 nan 0.000 0.485 192 A N 1.803 124.695 122.820 0.119 0.000 2.545 192 A HA 0.188 4.508 4.320 -0.000 0.000 0.253 192 A C 1.456 179.093 177.584 0.089 0.000 1.074 192 A CA 0.493 52.578 52.037 0.081 0.000 0.760 192 A CB -0.216 18.813 19.000 0.048 0.000 1.005 192 A HN 0.990 nan 8.150 nan 0.000 0.506 193 S N 2.488 118.232 115.700 0.075 0.000 2.484 193 S HA -0.259 4.211 4.470 -0.000 0.000 0.250 193 S C 1.182 175.828 174.600 0.077 0.000 0.995 193 S CA 1.569 59.818 58.200 0.081 0.000 0.967 193 S CB -0.737 62.496 63.200 0.055 0.000 0.752 193 S HN 0.996 nan 8.310 nan 0.000 0.517 194 N N 0.809 119.540 118.700 0.052 0.000 2.571 194 N HA -0.039 4.701 4.740 -0.000 0.000 0.189 194 N C 1.226 176.754 175.510 0.030 0.000 1.154 194 N CA 0.400 53.470 53.050 0.033 0.000 0.907 194 N CB -0.390 38.100 38.487 0.005 0.000 0.977 194 N HN 0.435 nan 8.380 nan 0.000 0.449 195 Q N -0.491 119.343 119.800 0.057 0.000 2.319 195 Q HA 0.229 4.569 4.340 -0.000 0.000 0.202 195 Q C 1.530 177.542 176.000 0.020 0.000 0.896 195 Q CA 0.368 56.191 55.803 0.033 0.000 0.942 195 Q CB 0.348 29.118 28.738 0.054 0.000 1.083 195 Q HN 0.583 nan 8.270 nan 0.000 0.510 196 G N 1.708 110.559 108.800 0.085 0.000 2.433 196 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 196 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 196 G C 1.092 176.007 174.900 0.025 0.000 1.186 196 G CA 0.653 45.822 45.100 0.115 0.000 0.779 196 G HN 0.243 nan 8.290 nan 0.000 0.543 197 D N -0.048 120.364 120.400 0.020 0.000 2.191 197 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 197 D C 2.333 178.614 176.300 -0.032 0.000 1.003 197 D CA 0.882 54.882 54.000 0.001 0.000 0.867 197 D CB -0.143 40.661 40.800 0.007 0.000 0.926 197 D HN 0.376 nan 8.370 nan 0.000 0.450 198 R N 0.063 120.526 120.500 -0.062 0.000 2.240 198 R HA 0.133 4.472 4.340 -0.000 0.000 0.203 198 R C 0.149 176.367 176.300 -0.136 0.000 1.011 198 R CA 0.386 56.435 56.100 -0.085 0.000 1.007 198 R CB 0.216 30.466 30.300 -0.085 0.000 0.911 198 R HN -0.023 nan 8.270 nan 0.000 0.468 199 A N 2.630 125.323 122.820 -0.212 0.000 2.650 199 A HA 0.114 4.434 4.320 -0.000 0.000 0.320 199 A C -0.293 177.195 177.584 -0.160 0.000 1.466 199 A CA -0.637 51.202 52.037 -0.330 0.000 1.099 199 A CB -0.152 18.338 19.000 -0.849 0.000 1.136 199 A HN 0.550 nan 8.150 nan 0.000 0.532 200 N N 0.735 119.378 118.700 -0.094 0.000 2.194 200 N HA 0.053 4.793 4.740 -0.000 0.000 0.231 200 N C -0.573 174.929 175.510 -0.013 0.000 1.247 200 N CA -0.232 52.798 53.050 -0.034 0.000 0.884 200 N CB 0.121 38.596 38.487 -0.019 0.000 1.146 200 N HN 0.339 nan 8.380 nan 0.000 0.516 201 N N 0.712 119.397 118.700 -0.025 0.000 2.703 201 N HA 0.172 4.911 4.740 -0.000 0.000 0.283 201 N C -1.560 173.956 175.510 0.009 0.000 1.851 201 N CA -0.483 52.571 53.050 0.006 0.000 0.826 201 N CB 0.954 39.447 38.487 0.009 0.000 1.239 201 N HN 0.154 nan 8.380 nan 0.000 0.495 202 V N -0.127 119.797 119.914 0.017 0.000 2.628 202 V HA 0.625 4.745 4.120 -0.000 0.000 0.306 202 V C 0.080 176.167 176.094 -0.012 0.000 1.045 202 V CA -0.917 61.392 62.300 0.014 0.000 0.905 202 V CB 1.295 33.170 31.823 0.087 0.000 0.997 202 V HN 0.048 nan 8.190 nan 0.000 0.436 203 I N 5.104 125.606 120.570 -0.113 0.000 2.741 203 I HA 0.231 4.400 4.170 -0.000 0.000 0.288 203 I C -1.722 174.391 176.117 -0.007 0.000 1.192 203 I CA -1.312 59.883 61.300 -0.174 0.000 1.426 203 I CB -0.246 37.488 38.000 -0.444 0.000 1.367 203 I HN 0.574 nan 8.210 nan 0.000 0.563 204 P HA 0.326 nan 4.420 nan 0.000 0.271 204 P C 0.284 177.724 177.300 0.233 0.000 1.233 204 P CA 0.296 63.474 63.100 0.130 0.000 0.789 204 P CB 0.491 32.253 31.700 0.102 0.000 0.951 205 G N 0.789 109.695 108.800 0.177 0.000 2.781 205 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.683 205 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.683 205 G C -0.494 174.514 174.900 0.180 0.000 1.390 205 G CA -0.340 44.840 45.100 0.133 0.000 0.850 205 G HN 0.503 nan 8.290 nan 0.000 0.557 206 D N 0.015 120.434 120.400 0.032 0.000 2.513 206 D HA 0.056 4.695 4.640 -0.000 0.000 0.222 206 D C 0.517 176.733 176.300 -0.139 0.000 1.210 206 D CA -0.296 53.709 54.000 0.007 0.000 0.825 206 D CB 0.304 41.087 40.800 -0.028 0.000 1.037 206 D HN 0.322 nan 8.370 nan 0.000 0.506 207 N N 1.905 120.443 118.700 -0.270 0.000 2.406 207 N HA 0.040 4.779 4.740 -0.000 0.000 0.251 207 N C 0.903 176.144 175.510 -0.447 0.000 1.069 207 N CA 0.018 52.901 53.050 -0.278 0.000 0.947 207 N CB 1.027 39.389 38.487 -0.208 0.000 1.111 207 N HN -0.055 nan 8.380 nan 0.000 0.497 208 K N 2.566 122.840 120.400 -0.209 0.000 2.288 208 K HA -0.093 4.227 4.320 -0.000 0.000 0.201 208 K C 1.495 178.063 176.600 -0.054 0.000 1.048 208 K CA 0.575 56.837 56.287 -0.041 0.000 0.956 208 K CB 0.247 32.767 32.500 0.033 0.000 0.746 208 K HN 0.370 nan 8.250 nan 0.000 0.461 209 L N 1.682 122.849 121.223 -0.094 0.000 2.131 209 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 209 L C 1.914 178.746 176.870 -0.063 0.000 1.087 209 L CA 1.649 56.450 54.840 -0.065 0.000 0.767 209 L CB -0.076 41.949 42.059 -0.056 0.000 0.917 209 L HN 0.077 nan 8.230 nan 0.000 0.441 210 E N -0.943 119.190 120.200 -0.113 0.000 2.110 210 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 210 E C 1.973 178.577 176.600 0.007 0.000 0.988 210 E CA 1.615 57.973 56.400 -0.071 0.000 0.804 210 E CB -0.265 29.366 29.700 -0.115 0.000 0.745 210 E HN 0.728 nan 8.360 nan 0.000 0.458 211 H N 0.320 119.385 119.070 -0.007 0.000 2.319 211 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 211 H C 2.284 177.546 175.328 -0.110 0.000 1.092 211 H CA 0.966 56.975 56.048 -0.065 0.000 1.302 211 H CB -0.003 29.718 29.762 -0.070 0.000 1.373 211 H HN 0.055 nan 8.280 nan 0.000 0.497 212 L N 1.296 122.524 121.223 0.010 0.000 2.013 212 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 212 L C 1.982 178.828 176.870 -0.040 0.000 1.073 212 L CA 1.787 56.584 54.840 -0.072 0.000 0.753 212 L CB -0.381 41.639 42.059 -0.066 0.000 0.890 212 L HN 0.191 nan 8.230 nan 0.000 0.432 213 E N -1.172 119.032 120.200 0.006 0.000 2.150 213 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 213 E C 2.115 178.751 176.600 0.060 0.000 0.985 213 E CA 1.332 57.745 56.400 0.022 0.000 0.814 213 E CB -0.277 29.436 29.700 0.021 0.000 0.752 213 E HN 0.769 nan 8.360 nan 0.000 0.466 214 H N 0.265 119.332 119.070 -0.005 0.000 2.326 214 H HA -0.034 4.521 4.556 -0.001 0.000 0.301 214 H C 1.989 177.330 175.328 0.022 0.000 1.081 214 H CA 1.358 57.422 56.048 0.025 0.000 1.334 214 H CB 0.181 29.970 29.762 0.046 0.000 1.385 214 H HN 0.002 nan 8.280 nan 0.000 0.504 215 I N 0.788 121.432 120.570 0.124 0.000 2.252 215 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 215 I C 2.362 178.538 176.117 0.097 0.000 1.102 215 I CA 1.166 62.477 61.300 0.018 0.000 1.385 215 I CB -1.055 36.691 38.000 -0.424 0.000 1.064 215 I HN 0.354 nan 8.210 nan 0.000 0.414 216 R N 1.043 121.563 120.500 0.034 0.000 2.096 216 R HA -0.191 4.149 4.340 -0.000 0.000 0.240 216 R C 2.396 178.751 176.300 0.092 0.000 1.139 216 R CA 1.833 57.967 56.100 0.057 0.000 0.952 216 R CB -0.534 29.776 30.300 0.018 0.000 0.854 216 R HN 0.387 nan 8.270 nan 0.000 0.436 217 A N 1.405 124.261 122.820 0.061 0.000 1.940 217 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 217 A C 1.598 179.239 177.584 0.095 0.000 1.176 217 A CA 1.845 53.904 52.037 0.038 0.000 0.631 217 A CB -0.369 18.598 19.000 -0.054 0.000 0.814 217 A HN 0.203 nan 8.150 nan 0.000 0.446 218 D N -0.185 120.321 120.400 0.177 0.000 2.144 218 D HA -0.077 4.563 4.640 -0.000 0.000 0.200 218 D C 1.850 178.332 176.300 0.304 0.000 0.978 218 D CA 1.038 55.211 54.000 0.289 0.000 0.833 218 D CB -0.227 40.927 40.800 0.591 0.000 0.961 218 D HN 0.544 nan 8.370 nan 0.000 0.470 219 I N 0.538 121.304 120.570 0.326 0.000 2.233 219 I HA -0.161 4.009 4.170 -0.000 0.000 0.243 219 I C 2.492 178.774 176.117 0.276 0.000 1.093 219 I CA 0.708 62.206 61.300 0.330 0.000 1.380 219 I CB -0.045 38.137 38.000 0.303 0.000 1.067 219 I HN -0.131 nan 8.210 nan 0.000 0.413 220 R N 0.880 121.492 120.500 0.187 0.000 2.091 220 R HA -0.220 4.119 4.340 -0.000 0.000 0.238 220 R C 2.310 178.687 176.300 0.128 0.000 1.136 220 R CA 1.480 57.660 56.100 0.133 0.000 0.959 220 R CB -0.367 29.985 30.300 0.088 0.000 0.856 220 R HN 0.330 nan 8.270 nan 0.000 0.437 221 K N 0.247 120.731 120.400 0.140 0.000 2.103 221 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 221 K C 1.904 178.596 176.600 0.154 0.000 1.052 221 K CA 1.016 57.371 56.287 0.113 0.000 0.945 221 K CB -0.135 32.423 32.500 0.097 0.000 0.722 221 K HN 0.028 nan 8.250 nan 0.000 0.443 222 F N 2.418 122.411 119.950 0.072 0.000 2.113 222 F HA -0.138 4.389 4.527 -0.001 0.000 0.297 222 F C 2.250 178.134 175.800 0.139 0.000 1.103 222 F CA 1.675 59.743 58.000 0.113 0.000 1.248 222 F CB -0.261 38.793 39.000 0.090 0.000 0.999 222 F HN -0.073 nan 8.300 nan 0.000 0.475 223 K N 0.164 120.627 120.400 0.105 0.000 2.026 223 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 223 K C 2.067 178.647 176.600 -0.033 0.000 1.048 223 K CA 1.945 58.233 56.287 0.002 0.000 0.929 223 K CB -0.325 32.228 32.500 0.088 0.000 0.713 223 K HN 0.444 nan 8.250 nan 0.000 0.439 224 Q N 0.415 120.215 119.800 -0.001 0.000 2.002 224 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 224 Q C 2.132 178.086 176.000 -0.077 0.000 0.988 224 Q CA 1.895 57.684 55.803 -0.023 0.000 0.843 224 Q CB -0.223 28.512 28.738 -0.004 0.000 0.908 224 Q HN 0.452 nan 8.270 nan 0.000 0.420 225 E N -0.058 120.071 120.200 -0.118 0.000 2.267 225 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 225 E C 0.622 176.958 176.600 -0.440 0.000 0.998 225 E CA 1.169 57.415 56.400 -0.256 0.000 0.830 225 E CB 0.126 29.660 29.700 -0.276 0.000 0.751 225 E HN 0.505 nan 8.360 nan 0.000 0.491 226 H N -1.141 117.818 119.070 -0.184 0.000 3.058 226 H HA 0.267 4.823 4.556 -0.001 0.000 0.266 226 H C -0.372 174.868 175.328 -0.148 0.000 1.135 226 H CA 0.239 56.173 56.048 -0.189 0.000 1.174 226 H CB 0.900 30.473 29.762 -0.315 0.000 1.581 226 H HN 0.096 nan 8.280 nan 0.000 0.553 227 E N 1.025 121.202 120.200 -0.039 0.000 2.340 227 E HA -0.167 4.183 4.350 -0.000 0.000 0.240 227 E C -0.972 175.615 176.600 -0.021 0.000 1.154 227 E CA -0.130 56.255 56.400 -0.025 0.000 0.717 227 E CB -1.149 28.542 29.700 -0.015 0.000 1.250 227 E HN 0.447 nan 8.360 nan 0.000 0.386 228 L N 0.363 121.562 121.223 -0.040 0.000 2.371 228 L HA 0.171 4.511 4.340 -0.000 0.000 0.272 228 L C 1.484 178.357 176.870 0.005 0.000 1.124 228 L CA 0.092 54.912 54.840 -0.034 0.000 0.816 228 L CB 0.727 42.741 42.059 -0.075 0.000 1.129 228 L HN 0.181 nan 8.230 nan 0.000 0.448 229 E N 0.503 120.716 120.200 0.021 0.000 2.415 229 E HA 0.072 4.422 4.350 -0.000 0.000 0.197 229 E C -0.300 176.341 176.600 0.069 0.000 1.007 229 E CA 0.064 56.487 56.400 0.039 0.000 0.890 229 E CB 0.732 30.453 29.700 0.036 0.000 0.891 229 E HN 0.483 nan 8.360 nan 0.000 0.496 230 C N 1.018 120.369 119.300 0.085 0.000 2.397 230 C HA 0.522 4.981 4.460 -0.000 0.000 0.325 230 C C -0.905 174.178 174.990 0.155 0.000 1.201 230 C CA -0.597 58.505 59.018 0.141 0.000 1.377 230 C CB 0.367 28.212 27.740 0.174 0.000 2.038 230 C HN -0.034 nan 8.230 nan 0.000 0.457 231 V N 7.551 127.563 119.914 0.163 0.000 2.448 231 V HA 0.570 4.690 4.120 -0.000 0.000 0.295 231 V C -0.259 175.976 176.094 0.234 0.000 1.025 231 V CA -0.255 62.175 62.300 0.216 0.000 0.859 231 V CB 1.598 33.553 31.823 0.220 0.000 0.988 231 V HN 0.755 nan 8.190 nan 0.000 0.431 232 I N 4.814 125.544 120.570 0.266 0.000 2.465 232 I HA 0.535 4.705 4.170 -0.000 0.000 0.291 232 I C -0.558 175.698 176.117 0.232 0.000 1.014 232 I CA -0.800 60.662 61.300 0.271 0.000 1.093 232 I CB 2.219 40.365 38.000 0.244 0.000 1.267 232 I HN 0.260 nan 8.210 nan 0.000 0.431 233 V N 6.943 127.011 119.914 0.256 0.000 2.483 233 V HA 0.533 4.653 4.120 -0.000 0.000 0.295 233 V C -0.463 175.654 176.094 0.039 0.000 1.035 233 V CA -0.631 61.828 62.300 0.264 0.000 0.896 233 V CB 2.011 34.130 31.823 0.493 0.000 0.986 233 V HN 0.505 nan 8.190 nan 0.000 0.447 234 L N 4.594 125.818 121.223 0.003 0.000 2.470 234 L HA 0.526 4.866 4.340 -0.000 0.000 0.268 234 L C -1.265 175.564 176.870 -0.068 0.000 0.964 234 L CA -0.345 54.425 54.840 -0.117 0.000 0.839 234 L CB 1.755 43.814 42.059 -0.001 0.000 1.276 234 L HN 0.800 nan 8.230 nan 0.000 0.403 235 W N 5.375 126.488 121.300 -0.311 0.000 2.358 235 W HA 0.323 4.983 4.660 -0.000 0.000 0.307 235 W C -0.415 176.019 176.519 -0.141 0.000 1.203 235 W CA -0.117 57.104 57.345 -0.207 0.000 1.279 235 W CB 1.516 30.873 29.460 -0.171 0.000 1.264 235 W HN 0.632 nan 8.180 nan 0.000 0.474 236 T N 4.383 118.727 114.554 -0.350 0.000 3.571 236 T HA 0.436 4.786 4.350 -0.000 0.000 0.292 236 T C 0.004 174.498 174.700 -0.343 0.000 0.994 236 T CA -0.027 61.991 62.100 -0.136 0.000 0.996 236 T CB -0.724 68.213 68.868 0.115 0.000 1.185 236 T HN 0.424 nan 8.240 nan 0.000 0.482 237 A N 1.213 123.516 122.820 -0.862 0.000 2.274 237 A HA 0.752 5.072 4.320 -0.000 0.000 0.297 237 A C 0.189 177.710 177.584 -0.105 0.000 1.191 237 A CA -0.698 50.960 52.037 -0.632 0.000 0.889 237 A CB 0.222 18.553 19.000 -1.115 0.000 1.294 237 A HN 0.628 nan 8.150 nan 0.000 0.506 238 N N 0.117 118.834 118.700 0.028 0.000 2.454 238 N HA 0.226 4.966 4.740 -0.000 0.000 0.254 238 N C -0.338 175.375 175.510 0.339 0.000 1.228 238 N CA 0.566 53.714 53.050 0.163 0.000 0.900 238 N CB 0.228 38.784 38.487 0.116 0.000 1.089 238 N HN 0.532 nan 8.380 nan 0.000 0.449 239 T N 2.350 117.051 114.554 0.245 0.000 2.778 239 T HA -0.040 4.310 4.350 -0.000 0.000 0.282 239 T C 0.288 175.113 174.700 0.209 0.000 0.983 239 T CA 0.349 62.575 62.100 0.210 0.000 1.193 239 T CB -0.192 68.759 68.868 0.139 0.000 0.938 239 T HN 0.355 nan 8.240 nan 0.000 0.523 240 E N 2.345 122.656 120.200 0.186 0.000 2.345 240 E HA 0.271 4.621 4.350 -0.000 0.000 0.259 240 E C 0.742 177.448 176.600 0.177 0.000 1.117 240 E CA -0.895 55.622 56.400 0.195 0.000 0.913 240 E CB 0.893 30.674 29.700 0.135 0.000 1.057 240 E HN 0.597 nan 8.360 nan 0.000 0.432 241 R N 0.324 120.947 120.500 0.205 0.000 2.738 241 R HA 0.134 4.474 4.340 -0.000 0.000 0.275 241 R C -0.579 175.885 176.300 0.275 0.000 1.121 241 R CA -0.459 55.763 56.100 0.203 0.000 1.207 241 R CB 0.104 30.465 30.300 0.101 0.000 1.141 241 R HN 0.391 nan 8.270 nan 0.000 0.571 242 Y N 0.842 121.162 120.300 0.034 0.000 2.411 242 Y HA 0.041 4.591 4.550 -0.000 0.000 0.333 242 Y C 0.813 176.759 175.900 0.077 0.000 1.186 242 Y CA 0.081 58.201 58.100 0.033 0.000 1.381 242 Y CB 0.906 39.364 38.460 -0.003 0.000 1.273 242 Y HN 0.732 nan 8.280 nan 0.000 0.546 243 T N -0.102 114.556 114.554 0.174 0.000 2.816 243 T HA 0.205 4.554 4.350 -0.000 0.000 0.282 243 T C -0.144 174.634 174.700 0.130 0.000 0.993 243 T CA -1.216 60.996 62.100 0.187 0.000 0.994 243 T CB 0.721 69.682 68.868 0.155 0.000 1.025 243 T HN 0.387 nan 8.240 nan 0.000 0.529 244 D N 0.200 120.658 120.400 0.097 0.000 2.368 244 D HA 0.363 5.002 4.640 -0.000 0.000 0.240 244 D C -0.365 175.968 176.300 0.054 0.000 1.169 244 D CA -0.058 53.983 54.000 0.068 0.000 0.906 244 D CB 1.093 41.920 40.800 0.044 0.000 1.187 244 D HN 0.365 nan 8.370 nan 0.000 0.435 245 V N 1.670 121.611 119.914 0.045 0.000 2.577 245 V HA 0.599 4.718 4.120 -0.000 0.000 0.303 245 V C -0.047 176.060 176.094 0.023 0.000 1.042 245 V CA -0.727 61.589 62.300 0.028 0.000 0.872 245 V CB 1.860 33.699 31.823 0.027 0.000 0.998 245 V HN 0.694 nan 8.190 nan 0.000 0.423 246 R N 2.771 123.281 120.500 0.016 0.000 2.753 246 R HA 0.436 4.776 4.340 -0.000 0.000 0.272 246 R C -1.423 174.882 176.300 0.010 0.000 1.034 246 R CA -1.119 54.989 56.100 0.013 0.000 0.869 246 R CB 1.435 31.742 30.300 0.013 0.000 1.264 246 R HN 0.656 nan 8.270 nan 0.000 0.481 247 Q N 0.810 120.615 119.800 0.008 0.000 2.352 247 Q HA 0.472 4.812 4.340 -0.000 0.000 0.260 247 Q C 0.484 176.488 176.000 0.005 0.000 0.976 247 Q CA 0.152 55.959 55.803 0.007 0.000 0.881 247 Q CB 1.334 30.076 28.738 0.007 0.000 1.235 247 Q HN 1.012 nan 8.270 nan 0.000 0.419 248 G N 1.366 110.168 108.800 0.004 0.000 2.313 248 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.215 248 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.215 248 G C 0.264 175.165 174.900 0.001 0.000 1.023 248 G CA 0.324 45.425 45.100 0.002 0.000 0.626 248 G HN 0.589 nan 8.290 nan 0.000 0.503 249 L N 0.948 122.173 121.223 0.003 0.000 2.453 249 L HA 0.503 4.843 4.340 -0.000 0.000 0.190 249 L C 1.233 178.102 176.870 -0.001 0.000 1.093 249 L CA 2.430 57.272 54.840 0.003 0.000 0.834 249 L CB 0.134 42.199 42.059 0.010 0.000 1.090 249 L HN 0.587 nan 8.230 nan 0.000 0.489 250 N N -1.411 117.288 118.700 -0.001 0.000 2.228 250 N HA 0.204 4.944 4.740 -0.000 0.000 0.237 250 N C 0.541 176.049 175.510 -0.004 0.000 1.382 250 N CA 0.424 53.469 53.050 -0.008 0.000 0.787 250 N CB -0.662 37.817 38.487 -0.015 0.000 1.320 250 N HN 0.193 nan 8.380 nan 0.000 0.507 251 A N 0.179 123.000 122.820 0.002 0.000 2.016 251 A HA 0.186 4.506 4.320 -0.000 0.000 0.217 251 A C 1.195 178.784 177.584 0.009 0.000 1.162 251 A CA 1.579 53.620 52.037 0.007 0.000 0.662 251 A CB -0.388 18.617 19.000 0.009 0.000 0.812 251 A HN 0.561 nan 8.150 nan 0.000 0.450 252 T N -6.005 108.554 114.554 0.007 0.000 2.907 252 T HA 0.654 5.004 4.350 -0.000 0.000 0.290 252 T C 1.016 175.721 174.700 0.008 0.000 1.066 252 T CA 0.009 62.116 62.100 0.011 0.000 1.012 252 T CB 1.503 70.378 68.868 0.012 0.000 1.184 252 T HN 0.498 nan 8.240 nan 0.000 0.522 253 A N 0.908 123.737 122.820 0.014 0.000 1.883 253 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 253 A C 1.911 179.500 177.584 0.009 0.000 1.186 253 A CA 1.939 53.984 52.037 0.015 0.000 0.624 253 A CB -1.118 17.903 19.000 0.035 0.000 0.822 253 A HN 0.907 nan 8.150 nan 0.000 0.444 254 D N -0.457 119.950 120.400 0.012 0.000 2.144 254 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 254 D C 1.896 178.196 176.300 0.000 0.000 0.978 254 D CA 1.266 55.271 54.000 0.008 0.000 0.833 254 D CB -0.375 40.430 40.800 0.009 0.000 0.961 254 D HN 0.653 nan 8.370 nan 0.000 0.470 255 E N 0.352 120.552 120.200 -0.000 0.000 2.038 255 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 255 E C 2.183 178.777 176.600 -0.010 0.000 1.000 255 E CA 0.478 56.876 56.400 -0.004 0.000 0.803 255 E CB -0.082 29.617 29.700 -0.001 0.000 0.750 255 E HN 0.156 nan 8.360 nan 0.000 0.448 256 I N 0.627 121.189 120.570 -0.014 0.000 2.286 256 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 256 I C 1.978 178.077 176.117 -0.031 0.000 1.115 256 I CA 1.183 62.468 61.300 -0.026 0.000 1.392 256 I CB 0.054 38.032 38.000 -0.037 0.000 1.065 256 I HN 0.102 nan 8.210 nan 0.000 0.418 257 M N -0.203 119.382 119.600 -0.026 0.000 2.086 257 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 257 M C 2.282 178.569 176.300 -0.023 0.000 1.067 257 M CA 1.654 56.938 55.300 -0.027 0.000 1.116 257 M CB -1.555 31.035 32.600 -0.016 0.000 1.348 257 M HN 0.283 nan 8.290 nan 0.000 0.407 258 E N 0.563 120.754 120.200 -0.016 0.000 2.051 258 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 258 E C 1.935 178.523 176.600 -0.019 0.000 0.991 258 E CA 2.022 58.413 56.400 -0.015 0.000 0.799 258 E CB -0.133 29.561 29.700 -0.010 0.000 0.748 258 E HN 0.383 nan 8.360 nan 0.000 0.449 259 S N 0.089 115.778 115.700 -0.018 0.000 2.383 259 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 259 S C 1.956 176.540 174.600 -0.026 0.000 1.030 259 S CA 1.369 59.558 58.200 -0.019 0.000 1.002 259 S CB -0.374 62.817 63.200 -0.014 0.000 0.829 259 S HN 0.323 nan 8.310 nan 0.000 0.467 260 I N 0.801 121.353 120.570 -0.030 0.000 2.315 260 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 260 I C 2.777 178.871 176.117 -0.038 0.000 1.117 260 I CA 0.965 62.244 61.300 -0.035 0.000 1.404 260 I CB -0.293 37.682 38.000 -0.042 0.000 1.071 260 I HN 0.191 nan 8.210 nan 0.000 0.419 261 R N 0.914 121.394 120.500 -0.033 0.000 2.073 261 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 261 R C 2.094 178.373 176.300 -0.035 0.000 1.134 261 R CA 1.903 57.983 56.100 -0.033 0.000 0.952 261 R CB -0.078 30.207 30.300 -0.025 0.000 0.850 261 R HN 0.394 nan 8.270 nan 0.000 0.433 262 V N -1.496 118.400 119.914 -0.031 0.000 3.646 262 V HA 0.135 4.255 4.120 -0.000 0.000 0.277 262 V C -0.006 176.065 176.094 -0.038 0.000 1.274 262 V CA 0.641 62.923 62.300 -0.030 0.000 1.164 262 V CB -0.720 31.089 31.823 -0.023 0.000 0.926 262 V HN 0.464 nan 8.190 nan 0.000 0.442 263 N N 0.552 119.224 118.700 -0.046 0.000 2.754 263 N HA -0.206 4.533 4.740 -0.000 0.000 0.248 263 N C 0.010 175.486 175.510 -0.057 0.000 1.093 263 N CA 1.137 54.150 53.050 -0.061 0.000 0.699 263 N CB -1.418 37.026 38.487 -0.072 0.000 1.016 263 N HN 0.947 nan 8.380 nan 0.000 0.552 264 E N 0.169 120.347 120.200 -0.037 0.000 2.459 264 E HA -0.023 4.327 4.350 -0.000 0.000 0.264 264 E C 0.808 177.399 176.600 -0.015 0.000 1.055 264 E CA 0.534 56.921 56.400 -0.021 0.000 0.957 264 E CB 0.378 30.073 29.700 -0.008 0.000 0.952 264 E HN 0.217 nan 8.360 nan 0.000 0.448 265 D N 2.406 122.810 120.400 0.006 0.000 2.110 265 D HA -0.097 4.543 4.640 -0.000 0.000 0.202 265 D C 0.049 176.451 176.300 0.170 0.000 0.975 265 D CA 0.714 54.738 54.000 0.040 0.000 0.839 265 D CB 0.306 41.111 40.800 0.009 0.000 0.996 265 D HN 0.473 nan 8.370 nan 0.000 0.464 266 E N 1.185 121.475 120.200 0.150 0.000 2.888 266 E HA 0.066 4.416 4.350 -0.000 0.000 0.271 266 E C -0.681 176.037 176.600 0.196 0.000 1.527 266 E CA 0.009 56.555 56.400 0.243 0.000 1.700 266 E CB 0.072 29.847 29.700 0.125 0.000 1.410 266 E HN 0.012 nan 8.360 nan 0.000 0.445 267 V N 1.567 121.575 119.914 0.156 0.000 2.409 267 V HA 0.128 4.248 4.120 -0.000 0.000 0.290 267 V C 0.379 176.328 176.094 -0.243 0.000 1.017 267 V CA -0.828 61.460 62.300 -0.020 0.000 0.841 267 V CB 1.679 33.493 31.823 -0.016 0.000 1.003 267 V HN 0.283 nan 8.190 nan 0.000 0.426 268 S N 5.357 120.746 115.700 -0.518 0.000 2.632 268 S HA 0.420 4.890 4.470 -0.000 0.000 0.267 268 S C -1.693 172.622 174.600 -0.475 0.000 1.276 268 S CA -1.033 56.543 58.200 -1.040 0.000 0.998 268 S CB 1.495 64.179 63.200 -0.860 0.000 0.953 268 S HN 0.450 nan 8.310 nan 0.000 0.547 269 P HA -0.135 nan 4.420 nan 0.000 0.216 269 P C 1.743 179.049 177.300 0.010 0.000 1.150 269 P CA 1.825 64.751 63.100 -0.291 0.000 0.843 269 P CB -0.156 31.445 31.700 -0.166 0.000 0.787 270 S N -1.812 113.752 115.700 -0.228 0.000 2.453 270 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 270 S C 1.765 176.214 174.600 -0.252 0.000 1.005 270 S CA 1.110 59.091 58.200 -0.366 0.000 0.949 270 S CB -1.478 61.060 63.200 -1.104 0.000 0.774 270 S HN 0.194 nan 8.310 nan 0.000 0.510 271 N N 1.148 119.689 118.700 -0.264 0.000 2.188 271 N HA 0.106 4.845 4.740 -0.000 0.000 0.184 271 N C 1.612 176.996 175.510 -0.210 0.000 1.018 271 N CA 1.447 54.357 53.050 -0.233 0.000 0.858 271 N CB -0.282 38.088 38.487 -0.194 0.000 0.989 271 N HN 0.401 nan 8.380 nan 0.000 0.426 272 I N 0.191 120.650 120.570 -0.186 0.000 2.233 272 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 272 I C 1.451 177.387 176.117 -0.302 0.000 1.093 272 I CA 1.039 62.200 61.300 -0.232 0.000 1.380 272 I CB -0.283 37.569 38.000 -0.247 0.000 1.067 272 I HN 0.034 nan 8.210 nan 0.000 0.413 273 F N 1.149 120.957 119.950 -0.237 0.000 2.087 273 F HA -0.330 4.197 4.527 -0.000 0.000 0.299 273 F C 2.648 178.201 175.800 -0.412 0.000 1.100 273 F CA 1.740 59.596 58.000 -0.241 0.000 1.226 273 F CB -1.012 37.965 39.000 -0.040 0.000 0.983 273 F HN 0.034 nan 8.300 nan 0.000 0.479 274 A N -0.053 122.437 122.820 -0.549 0.000 1.883 274 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 274 A C 2.373 179.730 177.584 -0.379 0.000 1.186 274 A CA 2.100 53.584 52.037 -0.921 0.000 0.624 274 A CB -1.291 17.205 19.000 -0.840 0.000 0.822 274 A HN 0.192 nan 8.150 nan 0.000 0.444 275 V N -0.148 119.605 119.914 -0.269 0.000 2.295 275 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 275 V C 3.051 179.050 176.094 -0.158 0.000 1.049 275 V CA 1.980 64.166 62.300 -0.190 0.000 1.024 275 V CB -1.286 30.439 31.823 -0.163 0.000 0.648 275 V HN 0.625 nan 8.190 nan 0.000 0.447 276 A N -0.395 122.334 122.820 -0.152 0.000 2.024 276 A HA -0.201 4.118 4.320 -0.000 0.000 0.220 276 A C 2.440 180.014 177.584 -0.016 0.000 1.164 276 A CA 2.263 54.242 52.037 -0.097 0.000 0.643 276 A CB -0.518 18.396 19.000 -0.143 0.000 0.806 276 A HN 0.547 nan 8.150 nan 0.000 0.451 277 S N -0.236 115.471 115.700 0.011 0.000 2.348 277 S HA -0.024 4.446 4.470 -0.000 0.000 0.219 277 S C 1.822 176.444 174.600 0.037 0.000 1.033 277 S CA 1.251 59.517 58.200 0.110 0.000 0.974 277 S CB -0.457 62.887 63.200 0.239 0.000 0.868 277 S HN 0.539 nan 8.310 nan 0.000 0.459 278 I N 1.834 122.386 120.570 -0.029 0.000 2.142 278 I HA -0.184 3.986 4.170 -0.000 0.000 0.240 278 I C 2.035 178.051 176.117 -0.169 0.000 1.078 278 I CA 1.149 62.404 61.300 -0.075 0.000 1.343 278 I CB -0.482 37.450 38.000 -0.112 0.000 1.046 278 I HN 0.192 nan 8.210 nan 0.000 0.405 279 L N 0.199 121.279 121.223 -0.237 0.000 2.187 279 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 279 L C 1.854 178.679 176.870 -0.075 0.000 1.100 279 L CA 1.040 55.727 54.840 -0.255 0.000 0.765 279 L CB -0.493 41.450 42.059 -0.195 0.000 0.904 279 L HN 0.285 nan 8.230 nan 0.000 0.437 280 E N -0.096 120.089 120.200 -0.024 0.000 2.444 280 E HA 0.105 4.455 4.350 -0.000 0.000 0.191 280 E C 1.493 178.110 176.600 0.029 0.000 1.041 280 E CA 0.645 57.062 56.400 0.029 0.000 0.883 280 E CB 0.488 30.228 29.700 0.067 0.000 1.024 280 E HN 0.431 nan 8.360 nan 0.000 0.470 281 G N 1.378 110.181 108.800 0.005 0.000 2.168 281 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.263 281 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.263 281 G C 0.557 175.382 174.900 -0.125 0.000 0.977 281 G CA 0.415 45.496 45.100 -0.031 0.000 0.659 281 G HN 0.511 nan 8.290 nan 0.000 0.533 282 A N 0.618 123.405 122.820 -0.056 0.000 2.340 282 A HA 0.672 4.992 4.320 -0.000 0.000 0.268 282 A C 0.539 178.089 177.584 -0.058 0.000 1.100 282 A CA -0.425 51.580 52.037 -0.054 0.000 0.803 282 A CB 0.324 19.405 19.000 0.136 0.000 1.043 282 A HN 0.460 nan 8.150 nan 0.000 0.488 283 H N -0.345 118.862 119.070 0.229 0.000 2.505 283 H HA 0.361 4.917 4.556 -0.001 0.000 0.355 283 H C -1.513 173.999 175.328 0.306 0.000 1.179 283 H CA 0.374 56.579 56.048 0.262 0.000 1.343 283 H CB 1.131 31.062 29.762 0.282 0.000 1.501 283 H HN 0.669 nan 8.280 nan 0.000 0.569 284 Y N 1.760 122.234 120.300 0.292 0.000 2.346 284 Y HA 0.267 4.817 4.550 -0.000 0.000 0.332 284 Y C -1.368 174.640 175.900 0.182 0.000 0.985 284 Y CA -0.894 57.334 58.100 0.212 0.000 1.112 284 Y CB 0.672 39.229 38.460 0.162 0.000 1.170 284 Y HN 0.366 nan 8.280 nan 0.000 0.447 285 I N 5.331 125.669 120.570 -0.387 0.000 2.378 285 I HA 0.240 4.409 4.170 -0.000 0.000 0.291 285 I C -0.580 175.273 176.117 -0.440 0.000 0.992 285 I CA -0.840 60.300 61.300 -0.267 0.000 1.154 285 I CB 1.404 39.357 38.000 -0.079 0.000 1.315 285 I HN 0.642 nan 8.210 nan 0.000 0.448 286 N N 4.149 122.719 118.700 -0.217 0.000 2.485 286 N HA 0.370 5.110 4.740 -0.000 0.000 0.243 286 N C 0.849 176.224 175.510 -0.224 0.000 0.987 286 N CA -0.251 52.705 53.050 -0.156 0.000 0.940 286 N CB 1.418 39.861 38.487 -0.074 0.000 1.122 286 N HN 0.765 nan 8.380 nan 0.000 0.509 287 G N 1.288 109.897 108.800 -0.318 0.000 2.985 287 G HA2 0.048 4.008 3.960 -0.000 0.000 0.209 287 G HA3 0.048 4.008 3.960 -0.000 0.000 0.209 287 G C 0.006 174.471 174.900 -0.724 0.000 1.165 287 G CA -0.026 44.506 45.100 -0.946 0.000 0.776 287 G HN 0.502 nan 8.290 nan 0.000 0.541 288 S N -0.233 115.314 115.700 -0.255 0.000 2.689 288 S HA 0.454 4.923 4.470 -0.000 0.000 0.306 288 S C -1.984 172.541 174.600 -0.126 0.000 1.104 288 S CA -0.991 57.141 58.200 -0.114 0.000 0.973 288 S CB 2.412 65.662 63.200 0.083 0.000 1.121 288 S HN -0.165 nan 8.310 nan 0.000 0.523 289 P HA -0.051 nan 4.420 nan 0.000 0.223 289 P C 0.321 177.599 177.300 -0.036 0.000 1.151 289 P CA 0.622 63.714 63.100 -0.015 0.000 0.787 289 P CB 0.017 31.743 31.700 0.043 0.000 0.788 290 Q N 1.400 121.123 119.800 -0.127 0.000 2.474 290 Q HA -0.034 4.306 4.340 -0.000 0.000 0.256 290 Q C 0.201 175.906 176.000 -0.492 0.000 1.048 290 Q CA 0.389 56.016 55.803 -0.294 0.000 0.922 290 Q CB -0.125 28.460 28.738 -0.256 0.000 1.288 290 Q HN 0.171 nan 8.270 nan 0.000 0.484 291 N N 1.530 119.741 118.700 -0.815 0.000 2.843 291 N HA -0.011 4.729 4.740 -0.000 0.000 0.284 291 N C 0.071 175.372 175.510 -0.349 0.000 1.274 291 N CA 0.003 52.676 53.050 -0.628 0.000 1.045 291 N CB -0.023 37.972 38.487 -0.819 0.000 1.370 291 N HN 0.508 nan 8.380 nan 0.000 0.525 292 T N 0.728 115.100 114.554 -0.303 0.000 2.699 292 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 292 T C 1.192 175.800 174.700 -0.153 0.000 1.036 292 T CA 1.003 62.960 62.100 -0.239 0.000 1.147 292 T CB -0.102 68.630 68.868 -0.226 0.000 0.862 292 T HN 0.375 nan 8.240 nan 0.000 0.446 293 L N 3.543 124.704 121.223 -0.103 0.000 2.821 293 L HA 0.232 4.572 4.340 -0.000 0.000 0.239 293 L C 0.626 177.468 176.870 -0.047 0.000 1.391 293 L CA -0.791 54.023 54.840 -0.043 0.000 1.231 293 L CB -0.996 41.071 42.059 0.013 0.000 1.598 293 L HN 0.140 nan 8.230 nan 0.000 0.428 294 V N -2.143 117.730 119.914 -0.068 0.000 3.367 294 V HA 0.033 4.153 4.120 -0.000 0.000 0.304 294 V C -1.177 174.908 176.094 -0.015 0.000 1.131 294 V CA -0.948 61.325 62.300 -0.046 0.000 1.233 294 V CB -0.080 31.712 31.823 -0.051 0.000 1.021 294 V HN 0.214 nan 8.190 nan 0.000 0.497 295 P HA -0.051 nan 4.420 nan 0.000 0.216 295 P C 1.712 179.023 177.300 0.018 0.000 1.153 295 P CA 2.056 65.166 63.100 0.017 0.000 0.858 295 P CB -0.238 31.473 31.700 0.017 0.000 0.789 296 G N -0.262 108.541 108.800 0.005 0.000 2.469 296 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.220 296 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.220 296 G C 1.557 176.457 174.900 0.000 0.000 1.136 296 G CA 0.619 45.721 45.100 0.002 0.000 0.759 296 G HN 0.239 nan 8.290 nan 0.000 0.562 297 L N -0.139 121.077 121.223 -0.012 0.000 2.005 297 L HA 0.026 4.366 4.340 -0.000 0.000 0.207 297 L C 2.893 179.777 176.870 0.023 0.000 1.072 297 L CA 0.697 55.526 54.840 -0.017 0.000 0.744 297 L CB -0.286 41.745 42.059 -0.048 0.000 0.895 297 L HN 0.208 nan 8.230 nan 0.000 0.433 298 I N -0.213 120.384 120.570 0.045 0.000 2.091 298 I HA -0.391 3.779 4.170 -0.000 0.000 0.239 298 I C 2.576 178.742 176.117 0.082 0.000 1.061 298 I CA 1.763 63.116 61.300 0.088 0.000 1.317 298 I CB -0.393 37.670 38.000 0.105 0.000 1.031 298 I HN 0.360 nan 8.210 nan 0.000 0.401 299 E N 0.781 121.020 120.200 0.065 0.000 2.147 299 E HA -0.303 4.047 4.350 -0.000 0.000 0.199 299 E C 2.184 178.820 176.600 0.060 0.000 1.005 299 E CA 1.589 58.023 56.400 0.056 0.000 0.810 299 E CB -0.079 29.647 29.700 0.044 0.000 0.736 299 E HN 0.337 nan 8.360 nan 0.000 0.460 300 L N 0.280 121.537 121.223 0.057 0.000 2.109 300 L HA -0.009 4.330 4.340 -0.000 0.000 0.207 300 L C 2.209 179.148 176.870 0.115 0.000 1.086 300 L CA 1.895 56.785 54.840 0.083 0.000 0.760 300 L CB -0.505 41.564 42.059 0.016 0.000 0.910 300 L HN 0.168 nan 8.230 nan 0.000 0.437 301 A N -0.797 122.069 122.820 0.077 0.000 1.902 301 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 301 A C 2.172 179.793 177.584 0.062 0.000 1.181 301 A CA 1.761 53.850 52.037 0.087 0.000 0.623 301 A CB -0.612 18.452 19.000 0.106 0.000 0.818 301 A HN 0.557 nan 8.150 nan 0.000 0.443 302 E N -0.810 119.411 120.200 0.035 0.000 2.085 302 E HA -0.209 4.140 4.350 -0.000 0.000 0.194 302 E C 2.300 178.888 176.600 -0.021 0.000 0.994 302 E CA 1.316 57.697 56.400 -0.032 0.000 0.801 302 E CB -0.134 29.542 29.700 -0.041 0.000 0.743 302 E HN 0.521 nan 8.360 nan 0.000 0.453 303 R N -0.651 119.862 120.500 0.022 0.000 2.189 303 R HA -0.079 4.261 4.340 -0.000 0.000 0.218 303 R C 1.108 177.344 176.300 -0.108 0.000 1.074 303 R CA 1.003 57.089 56.100 -0.024 0.000 0.991 303 R CB 0.085 30.397 30.300 0.020 0.000 0.883 303 R HN 0.212 nan 8.270 nan 0.000 0.457 304 H N -1.075 117.976 119.070 -0.032 0.000 2.652 304 H HA 0.208 4.764 4.556 -0.000 0.000 0.274 304 H C -0.300 174.999 175.328 -0.049 0.000 1.021 304 H CA -0.084 55.945 56.048 -0.032 0.000 1.187 304 H CB 0.769 30.518 29.762 -0.021 0.000 1.505 304 H HN -0.174 nan 8.280 nan 0.000 0.530 305 K N -0.075 120.324 120.400 -0.001 0.000 3.162 305 K HA -0.110 4.209 4.320 -0.000 0.000 0.268 305 K C -1.326 175.213 176.600 -0.101 0.000 1.062 305 K CA 0.223 56.464 56.287 -0.075 0.000 0.769 305 K CB -1.796 30.663 32.500 -0.069 0.000 1.274 305 K HN 0.158 nan 8.250 nan 0.000 0.478 306 V N 0.530 120.402 119.914 -0.070 0.000 2.914 306 V HA 0.662 4.782 4.120 -0.000 0.000 0.314 306 V C -0.418 175.697 176.094 0.035 0.000 1.084 306 V CA -0.966 61.350 62.300 0.026 0.000 0.963 306 V CB 1.450 33.315 31.823 0.070 0.000 1.025 306 V HN 0.165 nan 8.190 nan 0.000 0.432 307 F N 3.182 123.415 119.950 0.472 0.000 2.399 307 F HA 0.660 5.187 4.527 -0.000 0.000 0.334 307 F C 0.324 176.278 175.800 0.255 0.000 1.097 307 F CA -0.481 57.669 58.000 0.250 0.000 1.076 307 F CB 1.698 40.736 39.000 0.063 0.000 1.162 307 F HN 0.340 nan 8.300 nan 0.000 0.495 308 V N 0.012 120.177 119.914 0.418 0.000 2.881 308 V HA 1.073 5.193 4.120 -0.000 0.000 0.316 308 V C -0.267 175.964 176.094 0.228 0.000 1.070 308 V CA -0.699 61.789 62.300 0.314 0.000 0.976 308 V CB 1.352 33.333 31.823 0.262 0.000 1.038 308 V HN 0.939 nan 8.190 nan 0.000 0.446 309 G N -0.427 108.471 108.800 0.162 0.000 2.704 309 G HA2 0.915 4.875 3.960 -0.000 0.000 0.293 309 G HA3 0.915 4.875 3.960 -0.000 0.000 0.293 309 G C -0.445 174.476 174.900 0.036 0.000 1.421 309 G CA -0.131 45.018 45.100 0.081 0.000 0.870 309 G HN 1.904 nan 8.290 nan 0.000 0.492 310 G N -0.280 108.525 108.800 0.009 0.000 2.337 310 G HA2 0.444 4.403 3.960 -0.000 0.000 0.298 310 G HA3 0.444 4.403 3.960 -0.000 0.000 0.298 310 G C -2.303 172.584 174.900 -0.022 0.000 1.335 310 G CA -0.753 44.329 45.100 -0.030 0.000 0.875 310 G HN 0.628 nan 8.290 nan 0.000 0.579 311 D N 0.410 120.787 120.400 -0.038 0.000 2.498 311 D HA 0.596 5.236 4.640 -0.000 0.000 0.247 311 D C -0.674 175.575 176.300 -0.085 0.000 1.070 311 D CA 0.554 54.507 54.000 -0.079 0.000 0.842 311 D CB 2.115 42.867 40.800 -0.081 0.000 1.361 311 D HN 0.645 nan 8.370 nan 0.000 0.484 312 D N 0.945 121.242 120.400 -0.172 0.000 5.686 312 D HA -0.172 4.468 4.640 -0.000 0.000 0.230 312 D C -0.992 175.256 176.300 -0.087 0.000 1.687 312 D CA -0.118 53.772 54.000 -0.184 0.000 1.416 312 D CB -0.646 40.110 40.800 -0.073 0.000 0.574 312 D HN 0.067 nan 8.370 nan 0.000 0.304 313 F N 2.600 122.565 119.950 0.026 0.000 2.635 313 F HA 0.064 4.591 4.527 -0.000 0.000 0.379 313 F C 1.832 177.644 175.800 0.021 0.000 1.094 313 F CA 0.564 58.574 58.000 0.016 0.000 1.300 313 F CB 0.381 39.381 39.000 0.000 0.000 1.035 313 F HN 0.232 nan 8.300 nan 0.000 0.581 314 K N 2.444 122.983 120.400 0.233 0.000 2.290 314 K HA 0.217 4.537 4.320 -0.000 0.000 0.250 314 K C 0.468 177.125 176.600 0.095 0.000 1.092 314 K CA 0.059 56.432 56.287 0.143 0.000 1.006 314 K CB 0.385 32.965 32.500 0.134 0.000 1.549 314 K HN 0.800 nan 8.250 nan 0.000 0.436 315 S N 1.219 116.966 115.700 0.079 0.000 2.506 315 S HA 0.171 4.641 4.470 -0.000 0.000 0.230 315 S C 1.177 175.767 174.600 -0.017 0.000 1.066 315 S CA 0.358 58.566 58.200 0.014 0.000 0.940 315 S CB 0.541 63.743 63.200 0.003 0.000 0.818 315 S HN 0.525 nan 8.310 nan 0.000 0.518 316 G N 0.705 109.509 108.800 0.006 0.000 2.581 316 G HA2 0.201 4.161 3.960 -0.000 0.000 0.194 316 G HA3 0.201 4.161 3.960 -0.000 0.000 0.194 316 G C 0.882 175.799 174.900 0.029 0.000 1.814 316 G CA 0.441 45.537 45.100 -0.008 0.000 0.745 316 G HN 0.328 nan 8.290 nan 0.000 0.802 317 Q N -0.076 119.749 119.800 0.042 0.000 2.124 317 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 317 Q C 2.256 178.367 176.000 0.185 0.000 0.977 317 Q CA 2.102 57.960 55.803 0.092 0.000 0.850 317 Q CB -0.222 28.556 28.738 0.066 0.000 0.901 317 Q HN 0.441 nan 8.270 nan 0.000 0.429 318 T N 0.629 115.267 114.554 0.140 0.000 2.942 318 T HA -0.058 4.292 4.350 -0.000 0.000 0.265 318 T C 1.574 176.343 174.700 0.115 0.000 1.062 318 T CA 1.002 63.191 62.100 0.148 0.000 1.139 318 T CB -0.020 68.918 68.868 0.117 0.000 0.883 318 T HN 0.271 nan 8.240 nan 0.000 0.468 319 K N 0.371 120.805 120.400 0.058 0.000 2.002 319 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 319 K C 2.053 178.605 176.600 -0.081 0.000 1.048 319 K CA 1.274 57.521 56.287 -0.067 0.000 0.930 319 K CB -0.313 32.086 32.500 -0.168 0.000 0.714 319 K HN 0.297 nan 8.250 nan 0.000 0.438 320 F N 2.070 121.949 119.950 -0.119 0.000 2.046 320 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 320 F C 2.370 178.185 175.800 0.025 0.000 1.123 320 F CA 2.127 60.070 58.000 -0.095 0.000 1.199 320 F CB -0.345 38.592 39.000 -0.104 0.000 0.972 320 F HN -0.031 nan 8.300 nan 0.000 0.474 321 K N -0.116 120.436 120.400 0.254 0.000 2.077 321 K HA -0.274 4.046 4.320 -0.000 0.000 0.213 321 K C 2.464 179.111 176.600 0.078 0.000 1.051 321 K CA 1.931 58.382 56.287 0.272 0.000 0.929 321 K CB -0.736 31.974 32.500 0.349 0.000 0.715 321 K HN 0.325 nan 8.250 nan 0.000 0.451 322 S N -0.520 115.221 115.700 0.067 0.000 2.372 322 S HA -0.215 4.255 4.470 -0.000 0.000 0.227 322 S C 1.852 176.473 174.600 0.035 0.000 1.044 322 S CA 1.617 59.858 58.200 0.069 0.000 1.050 322 S CB -0.355 62.917 63.200 0.121 0.000 0.901 322 S HN 0.559 nan 8.310 nan 0.000 0.447 323 A N -0.627 122.163 122.820 -0.051 0.000 2.016 323 A HA 0.146 4.466 4.320 -0.000 0.000 0.217 323 A C 1.837 179.376 177.584 -0.074 0.000 1.162 323 A CA 0.858 52.871 52.037 -0.041 0.000 0.662 323 A CB -0.563 18.382 19.000 -0.091 0.000 0.812 323 A HN 0.602 nan 8.150 nan 0.000 0.450 324 F N 0.920 120.594 119.950 -0.460 0.000 2.219 324 F HA -0.043 4.484 4.527 -0.000 0.000 0.294 324 F C 2.241 177.900 175.800 -0.235 0.000 1.086 324 F CA 1.459 59.159 58.000 -0.500 0.000 1.330 324 F CB -0.311 38.022 39.000 -1.112 0.000 1.047 324 F HN 0.088 nan 8.300 nan 0.000 0.495 325 V N -1.601 118.156 119.914 -0.262 0.000 2.515 325 V HA -0.181 3.938 4.120 -0.000 0.000 0.250 325 V C 2.029 178.016 176.094 -0.180 0.000 1.058 325 V CA 2.155 64.305 62.300 -0.251 0.000 1.064 325 V CB -1.098 30.681 31.823 -0.073 0.000 0.675 325 V HN 0.282 nan 8.190 nan 0.000 0.461 326 D N 0.420 120.769 120.400 -0.085 0.000 2.078 326 D HA -0.226 4.414 4.640 -0.000 0.000 0.193 326 D C 1.855 178.128 176.300 -0.045 0.000 0.990 326 D CA 1.879 55.859 54.000 -0.035 0.000 0.827 326 D CB -0.393 40.424 40.800 0.028 0.000 0.975 326 D HN 0.485 nan 8.370 nan 0.000 0.451 327 F N 1.011 120.885 119.950 -0.125 0.000 2.087 327 F HA -0.216 4.310 4.527 -0.001 0.000 0.299 327 F C 1.821 177.526 175.800 -0.159 0.000 1.100 327 F CA 1.566 59.497 58.000 -0.115 0.000 1.226 327 F CB -0.554 38.392 39.000 -0.090 0.000 0.983 327 F HN 0.056 nan 8.300 nan 0.000 0.479 328 L N -0.518 120.229 121.223 -0.792 0.000 2.109 328 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 328 L C 2.357 178.965 176.870 -0.436 0.000 1.086 328 L CA 0.849 55.189 54.840 -0.833 0.000 0.760 328 L CB -0.758 40.858 42.059 -0.738 0.000 0.910 328 L HN 0.089 nan 8.230 nan 0.000 0.437 329 V N -1.334 118.425 119.914 -0.259 0.000 2.488 329 V HA -0.172 3.947 4.120 -0.000 0.000 0.246 329 V C 2.522 178.551 176.094 -0.109 0.000 1.046 329 V CA 1.567 63.802 62.300 -0.108 0.000 1.053 329 V CB -0.028 31.797 31.823 0.004 0.000 0.679 329 V HN 0.328 nan 8.190 nan 0.000 0.458 330 S N 0.719 116.342 115.700 -0.129 0.000 2.383 330 S HA -0.171 4.298 4.470 -0.000 0.000 0.229 330 S C 1.992 176.520 174.600 -0.120 0.000 1.030 330 S CA 1.739 59.886 58.200 -0.088 0.000 1.002 330 S CB -0.276 62.899 63.200 -0.041 0.000 0.829 330 S HN 0.644 nan 8.310 nan 0.000 0.467 331 S N 0.297 115.851 115.700 -0.243 0.000 2.603 331 S HA 0.289 4.758 4.470 -0.000 0.000 0.229 331 S C 1.345 175.854 174.600 -0.152 0.000 0.972 331 S CA 0.497 58.561 58.200 -0.228 0.000 0.935 331 S CB -0.137 62.805 63.200 -0.430 0.000 0.769 331 S HN 0.760 nan 8.310 nan 0.000 0.536 332 G N 1.033 109.758 108.800 -0.124 0.000 2.171 332 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.238 332 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.238 332 G C -0.282 174.569 174.900 -0.082 0.000 1.039 332 G CA 0.009 45.061 45.100 -0.079 0.000 0.759 332 G HN 0.401 nan 8.290 nan 0.000 0.501 333 M N -0.094 119.436 119.600 -0.117 0.000 2.321 333 M HA 0.506 4.985 4.480 -0.000 0.000 0.315 333 M C 0.093 176.323 176.300 -0.118 0.000 1.052 333 M CA -0.507 54.728 55.300 -0.108 0.000 0.936 333 M CB 1.767 34.285 32.600 -0.137 0.000 1.639 333 M HN 0.077 nan 8.290 nan 0.000 0.433 334 K N 5.071 125.384 120.400 -0.146 0.000 2.266 334 K HA 0.414 4.733 4.320 -0.000 0.000 0.274 334 K C -2.498 174.052 176.600 -0.084 0.000 1.090 334 K CA -1.746 54.389 56.287 -0.254 0.000 0.925 334 K CB 0.648 32.901 32.500 -0.411 0.000 1.225 334 K HN 0.231 nan 8.250 nan 0.000 0.458 335 P HA -0.063 nan 4.420 nan 0.000 0.261 335 P C -0.225 177.145 177.300 0.116 0.000 1.183 335 P CA 0.323 63.488 63.100 0.109 0.000 0.761 335 P CB 0.767 32.552 31.700 0.141 0.000 0.785 336 E N 0.446 120.691 120.200 0.076 0.000 2.399 336 E HA 0.107 4.457 4.350 -0.000 0.000 0.205 336 E C 0.084 176.717 176.600 0.055 0.000 0.906 336 E CA 0.563 56.999 56.400 0.061 0.000 0.998 336 E CB 0.633 30.355 29.700 0.037 0.000 1.002 336 E HN 0.274 nan 8.360 nan 0.000 0.501 337 S N 0.387 116.109 115.700 0.037 0.000 2.649 337 S HA 0.514 4.984 4.470 -0.000 0.000 0.274 337 S C -1.347 173.207 174.600 -0.077 0.000 1.176 337 S CA -0.537 57.666 58.200 0.004 0.000 0.988 337 S CB 0.538 63.758 63.200 0.033 0.000 1.071 337 S HN 0.037 nan 8.310 nan 0.000 0.478 338 I N 4.563 125.025 120.570 -0.179 0.000 2.439 338 I HA 0.473 4.642 4.170 -0.000 0.000 0.283 338 I C -0.932 175.037 176.117 -0.247 0.000 1.023 338 I CA -0.825 60.231 61.300 -0.405 0.000 1.100 338 I CB 1.908 39.453 38.000 -0.757 0.000 1.238 338 I HN 0.267 nan 8.210 nan 0.000 0.445 339 V N 4.606 124.357 119.914 -0.273 0.000 2.409 339 V HA 0.403 4.523 4.120 -0.000 0.000 0.291 339 V C -0.049 175.828 176.094 -0.362 0.000 1.020 339 V CA -0.394 61.741 62.300 -0.276 0.000 0.848 339 V CB 1.823 33.480 31.823 -0.277 0.000 0.990 339 V HN 0.728 nan 8.190 nan 0.000 0.430 340 S N 4.622 120.120 115.700 -0.336 0.000 2.622 340 S HA 0.588 5.058 4.470 -0.000 0.000 0.283 340 S C -0.875 173.608 174.600 -0.195 0.000 1.197 340 S CA -0.442 57.642 58.200 -0.194 0.000 1.146 340 S CB 0.180 63.382 63.200 0.003 0.000 1.007 340 S HN 0.543 nan 8.310 nan 0.000 0.478 341 Y N 2.079 122.428 120.300 0.082 0.000 2.301 341 Y HA 0.481 5.030 4.550 -0.000 0.000 0.325 341 Y C 1.022 176.965 175.900 0.071 0.000 1.203 341 Y CA -0.825 57.330 58.100 0.091 0.000 1.255 341 Y CB 0.743 39.264 38.460 0.100 0.000 1.232 341 Y HN 0.461 nan 8.280 nan 0.000 0.501 342 N N 1.045 119.908 118.700 0.271 0.000 2.324 342 N HA 0.232 4.972 4.740 -0.000 0.000 0.285 342 N C -1.771 173.861 175.510 0.203 0.000 1.076 342 N CA -0.834 52.303 53.050 0.145 0.000 0.864 342 N CB 2.285 40.846 38.487 0.124 0.000 1.632 342 N HN 0.820 nan 8.380 nan 0.000 0.478 343 H N -0.150 118.973 119.070 0.088 0.000 2.806 343 H HA 0.811 5.366 4.556 -0.000 0.000 0.367 343 H C -0.853 174.520 175.328 0.075 0.000 1.136 343 H CA -0.884 55.213 56.048 0.081 0.000 1.178 343 H CB 1.762 31.557 29.762 0.056 0.000 1.718 343 H HN 0.512 nan 8.280 nan 0.000 0.540 344 L N -0.645 120.710 121.223 0.221 0.000 2.671 344 L HA 0.830 5.170 4.340 -0.000 0.000 0.259 344 L C -0.650 176.357 176.870 0.227 0.000 1.021 344 L CA -0.865 54.073 54.840 0.163 0.000 0.871 344 L CB 2.038 44.163 42.059 0.111 0.000 1.472 344 L HN 0.904 nan 8.230 nan 0.000 0.410 345 G N 0.106 109.015 108.800 0.181 0.000 3.695 345 G HA2 0.139 4.099 3.960 -0.000 0.000 0.277 345 G HA3 0.139 4.099 3.960 -0.000 0.000 0.277 345 G C 0.023 175.107 174.900 0.306 0.000 1.001 345 G CA 0.075 45.304 45.100 0.215 0.000 0.837 345 G HN 0.771 nan 8.290 nan 0.000 0.492 346 N N -0.058 118.764 118.700 0.204 0.000 2.366 346 N HA 0.086 4.826 4.740 -0.000 0.000 0.277 346 N C 0.932 176.491 175.510 0.081 0.000 1.275 346 N CA -0.587 52.528 53.050 0.108 0.000 0.964 346 N CB 0.215 38.724 38.487 0.037 0.000 1.167 346 N HN -0.107 nan 8.380 nan 0.000 0.568 347 N N -1.162 117.545 118.700 0.012 0.000 2.381 347 N HA -0.167 4.573 4.740 -0.000 0.000 0.182 347 N C 0.810 176.288 175.510 -0.053 0.000 1.025 347 N CA 0.811 53.836 53.050 -0.041 0.000 0.888 347 N CB -0.273 38.192 38.487 -0.037 0.000 0.965 347 N HN 0.639 nan 8.380 nan 0.000 0.438 348 D N -0.777 119.619 120.400 -0.008 0.000 2.084 348 D HA -0.076 4.564 4.640 -0.000 0.000 0.194 348 D C 1.944 178.248 176.300 0.007 0.000 0.990 348 D CA 1.654 55.665 54.000 0.018 0.000 0.826 348 D CB -0.786 40.043 40.800 0.048 0.000 0.971 348 D HN 0.335 nan 8.370 nan 0.000 0.453 349 G N 0.319 109.134 108.800 0.024 0.000 2.418 349 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 349 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 349 G C 1.623 176.362 174.900 -0.269 0.000 1.158 349 G CA 0.938 46.069 45.100 0.051 0.000 0.771 349 G HN 0.355 nan 8.290 nan 0.000 0.545 350 K N 0.359 120.312 120.400 -0.745 0.000 2.147 350 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 350 K C 2.263 178.627 176.600 -0.395 0.000 1.049 350 K CA 1.480 57.111 56.287 -1.093 0.000 0.936 350 K CB -0.188 31.773 32.500 -0.898 0.000 0.722 350 K HN 0.306 nan 8.250 nan 0.000 0.446 351 N N 0.574 119.156 118.700 -0.198 0.000 2.171 351 N HA -0.080 4.659 4.740 -0.000 0.000 0.184 351 N C 1.346 176.859 175.510 0.004 0.000 1.021 351 N CA 0.951 53.968 53.050 -0.055 0.000 0.854 351 N CB 0.012 38.502 38.487 0.003 0.000 0.994 351 N HN 0.140 nan 8.380 nan 0.000 0.426 352 L N -0.015 121.223 121.223 0.025 0.000 2.650 352 L HA 0.153 4.493 4.340 -0.000 0.000 0.235 352 L C 1.728 178.659 176.870 0.100 0.000 1.149 352 L CA -0.023 54.886 54.840 0.114 0.000 0.887 352 L CB -0.104 42.057 42.059 0.170 0.000 1.021 352 L HN 0.082 nan 8.230 nan 0.000 0.441 353 S N -0.583 115.126 115.700 0.015 0.000 2.399 353 S HA -0.073 4.396 4.470 -0.000 0.000 0.231 353 S C 0.822 175.439 174.600 0.028 0.000 1.022 353 S CA 0.990 59.202 58.200 0.020 0.000 0.983 353 S CB -0.111 63.083 63.200 -0.010 0.000 0.803 353 S HN 0.495 nan 8.310 nan 0.000 0.480 354 E N -0.126 120.101 120.200 0.046 0.000 2.277 354 E HA 0.466 4.815 4.350 -0.000 0.000 0.274 354 E C 0.899 177.560 176.600 0.102 0.000 1.022 354 E CA -0.117 56.317 56.400 0.057 0.000 0.853 354 E CB 1.177 30.906 29.700 0.048 0.000 1.086 354 E HN 0.209 nan 8.360 nan 0.000 0.397 355 A N 3.208 126.080 122.820 0.086 0.000 1.855 355 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 355 A C 2.371 180.045 177.584 0.151 0.000 1.191 355 A CA 2.066 54.181 52.037 0.130 0.000 0.613 355 A CB -0.805 18.241 19.000 0.077 0.000 0.829 355 A HN 0.678 nan 8.150 nan 0.000 0.442 356 R N -0.745 119.805 120.500 0.084 0.000 2.159 356 R HA -0.149 4.190 4.340 -0.000 0.000 0.237 356 R C 1.995 178.338 176.300 0.070 0.000 1.131 356 R CA 2.176 58.308 56.100 0.052 0.000 0.982 356 R CB -1.047 29.270 30.300 0.028 0.000 0.868 356 R HN 0.711 nan 8.270 nan 0.000 0.453 357 Q N -1.181 118.683 119.800 0.106 0.000 2.062 357 Q HA 0.145 4.485 4.340 -0.000 0.000 0.196 357 Q C 1.896 177.967 176.000 0.118 0.000 0.967 357 Q CA 1.449 57.323 55.803 0.118 0.000 0.832 357 Q CB -0.315 28.497 28.738 0.123 0.000 0.899 357 Q HN 0.665 nan 8.270 nan 0.000 0.442 358 F N 1.199 121.164 119.950 0.024 0.000 2.154 358 F HA -0.244 4.283 4.527 -0.000 0.000 0.301 358 F C 2.005 177.799 175.800 -0.010 0.000 1.087 358 F CA 1.392 59.401 58.000 0.015 0.000 1.274 358 F CB 0.069 39.079 39.000 0.017 0.000 1.009 358 F HN -0.066 nan 8.300 nan 0.000 0.485 359 R N 0.546 120.939 120.500 -0.178 0.000 2.094 359 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 359 R C 2.474 178.569 176.300 -0.342 0.000 1.137 359 R CA 1.633 57.537 56.100 -0.327 0.000 0.943 359 R CB -1.180 28.999 30.300 -0.202 0.000 0.850 359 R HN 0.333 nan 8.270 nan 0.000 0.433 360 S N 0.900 116.500 115.700 -0.166 0.000 2.393 360 S HA -0.262 4.208 4.470 -0.000 0.000 0.235 360 S C 1.849 176.412 174.600 -0.061 0.000 1.061 360 S CA 2.216 60.430 58.200 0.023 0.000 1.129 360 S CB -0.266 63.034 63.200 0.167 0.000 1.011 360 S HN 0.244 nan 8.310 nan 0.000 0.436 361 K N 1.203 121.523 120.400 -0.134 0.000 2.025 361 K HA -0.032 4.287 4.320 -0.000 0.000 0.207 361 K C 2.117 178.552 176.600 -0.275 0.000 1.049 361 K CA 1.732 57.929 56.287 -0.150 0.000 0.933 361 K CB -0.470 31.982 32.500 -0.080 0.000 0.714 361 K HN 0.425 nan 8.250 nan 0.000 0.438 362 E N 0.334 120.187 120.200 -0.579 0.000 2.086 362 E HA -0.260 4.090 4.350 -0.000 0.000 0.205 362 E C 1.899 178.285 176.600 -0.357 0.000 1.027 362 E CA 2.137 58.178 56.400 -0.599 0.000 0.830 362 E CB -0.230 28.892 29.700 -0.964 0.000 0.751 362 E HN 0.396 nan 8.360 nan 0.000 0.456 363 I N 0.925 121.309 120.570 -0.311 0.000 2.163 363 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 363 I C 2.788 178.817 176.117 -0.146 0.000 1.085 363 I CA 1.593 62.763 61.300 -0.217 0.000 1.347 363 I CB -0.522 37.358 38.000 -0.199 0.000 1.044 363 I HN 0.252 nan 8.210 nan 0.000 0.408 364 S N 0.614 116.253 115.700 -0.102 0.000 2.406 364 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 364 S C 1.932 176.504 174.600 -0.047 0.000 1.020 364 S CA 0.644 58.816 58.200 -0.048 0.000 0.965 364 S CB -0.283 62.906 63.200 -0.018 0.000 0.798 364 S HN 0.389 nan 8.310 nan 0.000 0.488 365 K N 1.167 121.520 120.400 -0.079 0.000 2.097 365 K HA 0.126 4.446 4.320 -0.000 0.000 0.205 365 K C 2.265 178.798 176.600 -0.111 0.000 1.050 365 K CA 1.325 57.581 56.287 -0.050 0.000 0.938 365 K CB -0.271 32.200 32.500 -0.047 0.000 0.718 365 K HN 0.309 nan 8.250 nan 0.000 0.442 366 S N 0.671 116.194 115.700 -0.295 0.000 2.489 366 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 366 S C 1.828 176.230 174.600 -0.330 0.000 0.995 366 S CA 1.110 58.918 58.200 -0.655 0.000 0.934 366 S CB -0.005 62.839 63.200 -0.594 0.000 0.771 366 S HN 0.398 nan 8.310 nan 0.000 0.522 367 S N 1.227 116.862 115.700 -0.108 0.000 2.527 367 S HA -0.004 4.466 4.470 -0.000 0.000 0.222 367 S C 1.679 176.314 174.600 0.058 0.000 0.985 367 S CA 0.552 58.740 58.200 -0.021 0.000 0.921 367 S CB -0.454 62.730 63.200 -0.027 0.000 0.772 367 S HN 0.415 nan 8.310 nan 0.000 0.529 368 V N -0.984 119.003 119.914 0.123 0.000 3.573 368 V HA 0.350 4.470 4.120 -0.000 0.000 0.270 368 V C 1.424 177.578 176.094 0.100 0.000 1.221 368 V CA 0.484 62.853 62.300 0.115 0.000 1.163 368 V CB -0.292 31.609 31.823 0.130 0.000 0.847 368 V HN 0.388 nan 8.190 nan 0.000 0.468 369 V N 0.363 120.351 119.914 0.122 0.000 3.006 369 V HA 0.289 4.408 4.120 -0.000 0.000 0.357 369 V C 1.094 177.160 176.094 -0.046 0.000 1.377 369 V CA 0.293 62.604 62.300 0.019 0.000 1.198 369 V CB 0.173 31.974 31.823 -0.038 0.000 1.216 369 V HN 0.437 nan 8.190 nan 0.000 0.520 370 D N 0.802 121.187 120.400 -0.025 0.000 2.214 370 D HA -0.084 4.555 4.640 -0.000 0.000 0.217 370 D C 1.783 178.031 176.300 -0.088 0.000 0.973 370 D CA 1.564 55.527 54.000 -0.062 0.000 0.880 370 D CB -0.146 40.635 40.800 -0.032 0.000 1.031 370 D HN 0.685 nan 8.370 nan 0.000 0.468 371 D N 0.515 120.881 120.400 -0.056 0.000 2.218 371 D HA -0.169 4.471 4.640 -0.000 0.000 0.204 371 D C 1.842 178.100 176.300 -0.070 0.000 0.976 371 D CA 0.678 54.645 54.000 -0.054 0.000 0.853 371 D CB -0.244 40.538 40.800 -0.031 0.000 0.939 371 D HN 0.121 nan 8.370 nan 0.000 0.481 372 M N 0.488 120.037 119.600 -0.084 0.000 2.193 372 M HA -0.038 4.441 4.480 -0.000 0.000 0.265 372 M C 2.329 178.524 176.300 -0.176 0.000 1.071 372 M CA 0.465 55.709 55.300 -0.094 0.000 1.140 372 M CB -0.224 32.332 32.600 -0.073 0.000 1.369 372 M HN -0.053 nan 8.290 nan 0.000 0.423 373 V N 0.231 119.941 119.914 -0.341 0.000 2.515 373 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 373 V C 2.116 177.991 176.094 -0.364 0.000 1.058 373 V CA 1.454 63.323 62.300 -0.718 0.000 1.064 373 V CB -0.615 30.630 31.823 -0.962 0.000 0.675 373 V HN 0.449 nan 8.190 nan 0.000 0.461 374 K N 0.496 120.778 120.400 -0.195 0.000 2.228 374 K HA -0.072 4.248 4.320 -0.000 0.000 0.202 374 K C 2.334 178.905 176.600 -0.049 0.000 1.051 374 K CA 1.244 57.473 56.287 -0.097 0.000 0.960 374 K CB -0.198 32.255 32.500 -0.079 0.000 0.743 374 K HN 0.599 nan 8.250 nan 0.000 0.458 375 S N 0.876 116.547 115.700 -0.047 0.000 2.442 375 S HA -0.123 4.347 4.470 -0.000 0.000 0.236 375 S C 0.773 175.384 174.600 0.019 0.000 1.007 375 S CA 0.789 58.979 58.200 -0.016 0.000 0.965 375 S CB -0.069 63.123 63.200 -0.014 0.000 0.773 375 S HN 0.119 nan 8.310 nan 0.000 0.504 376 N N 0.645 119.382 118.700 0.062 0.000 2.609 376 N HA 0.271 5.011 4.740 -0.000 0.000 0.268 376 N C -0.410 175.196 175.510 0.160 0.000 1.106 376 N CA -0.222 52.895 53.050 0.111 0.000 0.823 376 N CB 1.612 40.189 38.487 0.149 0.000 1.263 376 N HN 0.355 nan 8.380 nan 0.000 0.533 377 Q N 2.135 121.990 119.800 0.091 0.000 2.403 377 Q HA 0.247 4.586 4.340 -0.000 0.000 0.203 377 Q C 1.350 177.383 176.000 0.056 0.000 0.932 377 Q CA 0.357 56.212 55.803 0.087 0.000 0.945 377 Q CB 0.641 29.409 28.738 0.051 0.000 1.045 377 Q HN 0.675 nan 8.270 nan 0.000 0.511 378 I N -0.172 120.420 120.570 0.037 0.000 2.206 378 I HA -0.270 3.899 4.170 -0.000 0.000 0.239 378 I C 1.968 178.063 176.117 -0.038 0.000 1.078 378 I CA 1.033 62.334 61.300 0.002 0.000 1.367 378 I CB -0.129 37.871 38.000 -0.001 0.000 1.078 378 I HN 0.191 nan 8.210 nan 0.000 0.413 379 L N -0.314 120.873 121.223 -0.060 0.000 1.994 379 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 379 L C 0.502 177.130 176.870 -0.404 0.000 1.071 379 L CA 1.508 56.198 54.840 -0.250 0.000 0.745 379 L CB -0.254 41.647 42.059 -0.265 0.000 0.892 379 L HN 0.138 nan 8.230 nan 0.000 0.431 380 F N -0.299 119.640 119.950 -0.018 0.000 2.389 380 F HA 0.270 4.796 4.527 -0.000 0.000 0.327 380 F C -1.441 174.352 175.800 -0.012 0.000 1.204 380 F CA -2.012 55.979 58.000 -0.015 0.000 1.209 380 F CB 0.077 39.067 39.000 -0.017 0.000 1.460 380 F HN -0.117 nan 8.300 nan 0.000 0.537 381 P HA -0.180 nan 4.420 nan 0.000 0.216 381 P C 0.551 177.892 177.300 0.069 0.000 1.153 381 P CA 1.605 64.741 63.100 0.060 0.000 0.858 381 P CB 0.361 32.075 31.700 0.023 0.000 0.789 382 D N -1.207 119.242 120.400 0.082 0.000 2.340 382 D HA 0.271 4.911 4.640 -0.000 0.000 0.217 382 D C 0.946 177.290 176.300 0.074 0.000 1.081 382 D CA 0.382 54.420 54.000 0.065 0.000 0.842 382 D CB -0.188 40.644 40.800 0.053 0.000 0.934 382 D HN 0.054 nan 8.370 nan 0.000 0.511 383 A N 0.968 123.855 122.820 0.112 0.000 2.798 383 A HA -0.310 4.009 4.320 -0.000 0.000 0.282 383 A C 0.349 177.946 177.584 0.022 0.000 1.464 383 A CA 0.880 52.950 52.037 0.055 0.000 0.844 383 A CB -2.228 16.772 19.000 0.001 0.000 1.006 383 A HN 0.310 nan 8.150 nan 0.000 0.577 384 K N 1.073 121.537 120.400 0.106 0.000 2.310 384 K HA 0.259 4.579 4.320 -0.000 0.000 0.290 384 K C 0.188 176.844 176.600 0.093 0.000 1.077 384 K CA -0.676 55.663 56.287 0.086 0.000 0.922 384 K CB 0.302 32.864 32.500 0.102 0.000 1.057 384 K HN 0.486 nan 8.250 nan 0.000 0.479 385 N N 4.119 122.815 118.700 -0.007 0.000 2.345 385 N HA -0.001 4.738 4.740 -0.000 0.000 0.243 385 N C -2.141 173.425 175.510 0.094 0.000 1.246 385 N CA -0.834 52.202 53.050 -0.023 0.000 0.863 385 N CB -0.017 38.474 38.487 0.008 0.000 1.096 385 N HN 0.417 nan 8.380 nan 0.000 0.446 386 P HA 0.127 nan 4.420 nan 0.000 0.274 386 P C -0.765 176.592 177.300 0.094 0.000 1.246 386 P CA -0.366 62.810 63.100 0.126 0.000 0.795 386 P CB 0.547 32.315 31.700 0.114 0.000 1.006 387 D N 0.377 120.825 120.400 0.079 0.000 2.533 387 D HA -0.024 4.615 4.640 -0.000 0.000 0.236 387 D C -0.591 175.778 176.300 0.116 0.000 1.137 387 D CA 1.200 55.251 54.000 0.084 0.000 0.867 387 D CB -0.455 40.380 40.800 0.058 0.000 1.170 387 D HN 0.229 nan 8.370 nan 0.000 0.474 388 Y N 2.753 123.038 120.300 -0.026 0.000 2.317 388 Y HA 0.296 4.846 4.550 -0.000 0.000 0.325 388 Y C -1.304 174.564 175.900 -0.054 0.000 1.066 388 Y CA -1.660 56.408 58.100 -0.053 0.000 1.203 388 Y CB 1.089 39.523 38.460 -0.045 0.000 1.127 388 Y HN 0.451 nan 8.280 nan 0.000 0.451 389 C N 6.635 126.078 119.300 0.238 0.000 2.441 389 C HA 0.904 5.364 4.460 -0.000 0.000 0.318 389 C C -1.385 173.609 174.990 0.007 0.000 1.222 389 C CA -0.381 58.667 59.018 0.050 0.000 1.474 389 C CB 0.310 28.057 27.740 0.011 0.000 2.125 389 C HN 0.568 nan 8.230 nan 0.000 0.479 390 V N 6.928 126.841 119.914 -0.001 0.000 2.409 390 V HA 0.495 4.615 4.120 -0.000 0.000 0.290 390 V C -0.285 175.928 176.094 0.199 0.000 1.017 390 V CA -0.345 61.976 62.300 0.035 0.000 0.841 390 V CB 1.490 33.283 31.823 -0.050 0.000 1.003 390 V HN 0.769 nan 8.190 nan 0.000 0.426 391 V N 6.674 126.708 119.914 0.200 0.000 2.513 391 V HA 0.589 4.708 4.120 -0.000 0.000 0.299 391 V C -0.312 175.964 176.094 0.303 0.000 1.035 391 V CA -0.459 62.014 62.300 0.289 0.000 0.889 391 V CB 2.028 34.063 31.823 0.353 0.000 0.988 391 V HN 0.705 nan 8.190 nan 0.000 0.440 392 I N 4.901 125.646 120.570 0.292 0.000 2.466 392 I HA 0.547 4.717 4.170 -0.000 0.000 0.289 392 I C -0.357 175.829 176.117 0.115 0.000 1.026 392 I CA -0.660 60.785 61.300 0.242 0.000 1.078 392 I CB 1.925 40.130 38.000 0.341 0.000 1.249 392 I HN 0.332 nan 8.210 nan 0.000 0.429 393 K N 4.407 124.903 120.400 0.161 0.000 2.316 393 K HA 0.369 4.689 4.320 -0.000 0.000 0.251 393 K C -1.365 175.366 176.600 0.218 0.000 0.934 393 K CA -0.915 55.454 56.287 0.136 0.000 0.802 393 K CB 2.527 35.080 32.500 0.088 0.000 1.171 393 K HN 0.412 nan 8.250 nan 0.000 0.426 394 Y N 2.642 122.970 120.300 0.045 0.000 2.477 394 Y HA 0.259 4.809 4.550 -0.000 0.000 0.349 394 Y C -0.752 175.176 175.900 0.047 0.000 0.977 394 Y CA -0.682 57.451 58.100 0.054 0.000 1.214 394 Y CB 0.459 38.942 38.460 0.039 0.000 1.124 394 Y HN 0.123 nan 8.280 nan 0.000 0.521 395 V N 10.777 130.574 119.914 -0.195 0.000 2.305 395 V HA 0.215 4.335 4.120 -0.000 0.000 0.275 395 V C -1.794 174.136 176.094 -0.274 0.000 1.020 395 V CA -1.569 60.586 62.300 -0.242 0.000 0.811 395 V CB 1.416 33.202 31.823 -0.062 0.000 1.031 395 V HN 0.629 nan 8.190 nan 0.000 0.439 396 P HA -0.231 nan 4.420 nan 0.000 0.216 396 P C 1.433 178.706 177.300 -0.044 0.000 1.154 396 P CA 1.506 64.445 63.100 -0.268 0.000 0.865 396 P CB 0.165 31.729 31.700 -0.226 0.000 0.789 397 Y N 0.799 121.039 120.300 -0.101 0.000 2.128 397 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 397 Y C 2.073 177.972 175.900 -0.002 0.000 1.154 397 Y CA 1.645 59.719 58.100 -0.043 0.000 1.149 397 Y CB -0.989 37.445 38.460 -0.044 0.000 0.976 397 Y HN -0.168 nan 8.280 nan 0.000 0.505 398 V N -1.886 118.055 119.914 0.044 0.000 2.970 398 V HA 0.103 4.222 4.120 -0.000 0.000 0.260 398 V C 1.636 177.699 176.094 -0.053 0.000 1.100 398 V CA 0.550 62.855 62.300 0.007 0.000 1.122 398 V CB -1.500 30.415 31.823 0.154 0.000 0.721 398 V HN 0.735 nan 8.190 nan 0.000 0.483 399 A N 0.888 123.685 122.820 -0.038 0.000 5.295 399 A HA -0.510 3.809 4.320 -0.000 0.000 0.313 399 A C 1.380 178.964 177.584 -0.001 0.000 1.912 399 A CA 2.047 54.069 52.037 -0.024 0.000 0.714 399 A CB -2.321 16.628 19.000 -0.085 0.000 1.319 399 A HN 0.705 nan 8.150 nan 0.000 0.375 400 D N -0.232 120.146 120.400 -0.037 0.000 2.348 400 D HA 0.149 4.789 4.640 -0.000 0.000 0.216 400 D C 1.025 177.296 176.300 -0.047 0.000 0.970 400 D CA 1.282 55.256 54.000 -0.044 0.000 0.889 400 D CB -0.006 40.745 40.800 -0.082 0.000 0.912 400 D HN 0.532 nan 8.370 nan 0.000 0.524 401 S N 0.310 115.982 115.700 -0.046 0.000 4.139 401 S HA 0.096 4.566 4.470 -0.000 0.000 0.215 401 S C -0.107 174.462 174.600 -0.050 0.000 1.390 401 S CA -0.747 57.425 58.200 -0.046 0.000 0.885 401 S CB -0.579 62.598 63.200 -0.038 0.000 1.560 401 S HN 0.231 nan 8.310 nan 0.000 0.449 402 K N 2.856 123.221 120.400 -0.058 0.000 2.380 402 K HA 0.157 4.477 4.320 -0.000 0.000 0.267 402 K C -0.400 176.090 176.600 -0.183 0.000 0.990 402 K CA 0.099 56.331 56.287 -0.092 0.000 0.946 402 K CB 0.452 32.924 32.500 -0.048 0.000 0.937 402 K HN 0.151 nan 8.250 nan 0.000 0.491 403 R N 1.836 122.131 120.500 -0.343 0.000 2.388 403 R HA 0.436 4.776 4.340 -0.000 0.000 0.314 403 R C -1.042 175.022 176.300 -0.393 0.000 0.959 403 R CA -0.738 55.078 56.100 -0.473 0.000 0.851 403 R CB 1.476 31.339 30.300 -0.728 0.000 1.168 403 R HN 0.786 nan 8.270 nan 0.000 0.472 404 A N 4.721 127.336 122.820 -0.342 0.000 2.249 404 A HA 0.653 4.973 4.320 -0.000 0.000 0.314 404 A C -0.159 177.307 177.584 -0.196 0.000 1.290 404 A CA -0.500 51.424 52.037 -0.188 0.000 0.893 404 A CB 0.501 19.421 19.000 -0.133 0.000 1.165 404 A HN 0.668 nan 8.150 nan 0.000 0.530 405 M N 2.645 122.243 119.600 -0.004 0.000 2.181 405 M HA 0.371 4.850 4.480 -0.000 0.000 0.323 405 M C -1.522 174.879 176.300 0.169 0.000 1.004 405 M CA -0.298 55.071 55.300 0.115 0.000 0.941 405 M CB 1.872 34.624 32.600 0.253 0.000 1.579 405 M HN 0.665 nan 8.290 nan 0.000 0.427 406 D N 1.602 122.083 120.400 0.134 0.000 2.671 406 D HA 0.384 5.024 4.640 -0.000 0.000 0.232 406 D C -1.222 175.183 176.300 0.176 0.000 1.114 406 D CA -0.516 53.551 54.000 0.111 0.000 0.858 406 D CB 2.008 42.927 40.800 0.198 0.000 1.544 406 D HN 0.449 nan 8.370 nan 0.000 0.471 407 E N 1.379 121.630 120.200 0.086 0.000 2.218 407 E HA 0.285 4.635 4.350 -0.000 0.000 0.263 407 E C -1.316 175.355 176.600 0.119 0.000 0.879 407 E CA -0.742 55.766 56.400 0.180 0.000 0.762 407 E CB 0.878 30.664 29.700 0.143 0.000 1.166 407 E HN 0.368 nan 8.360 nan 0.000 0.415 408 Y N 3.744 124.211 120.300 0.279 0.000 2.331 408 Y HA 0.434 4.983 4.550 -0.001 0.000 0.338 408 Y C 0.075 176.175 175.900 0.333 0.000 0.992 408 Y CA -0.648 57.632 58.100 0.300 0.000 1.121 408 Y CB 1.091 39.801 38.460 0.416 0.000 1.184 408 Y HN 0.383 nan 8.280 nan 0.000 0.469 409 I N 3.720 124.480 120.570 0.317 0.000 2.389 409 I HA 0.438 4.608 4.170 -0.000 0.000 0.288 409 I C -0.839 175.395 176.117 0.195 0.000 0.999 409 I CA -0.360 61.083 61.300 0.239 0.000 1.129 409 I CB 1.059 39.142 38.000 0.138 0.000 1.288 409 I HN 0.528 nan 8.210 nan 0.000 0.444 410 C N 3.320 122.740 119.300 0.200 0.000 2.529 410 C HA 0.619 5.079 4.460 -0.000 0.000 0.329 410 C C 0.408 175.440 174.990 0.070 0.000 1.194 410 C CA -0.667 58.429 59.018 0.129 0.000 1.779 410 C CB 1.795 29.637 27.740 0.169 0.000 2.322 410 C HN 0.808 nan 8.230 nan 0.000 0.500 411 S N 2.094 117.802 115.700 0.013 0.000 2.480 411 S HA 0.793 5.263 4.470 -0.000 0.000 0.286 411 S C -0.425 174.170 174.600 -0.009 0.000 1.180 411 S CA -0.481 57.713 58.200 -0.010 0.000 1.075 411 S CB 0.618 63.790 63.200 -0.046 0.000 0.996 411 S HN 0.728 nan 8.310 nan 0.000 0.487 412 I N -1.306 119.276 120.570 0.019 0.000 3.786 412 I HA 0.700 4.870 4.170 -0.000 0.000 0.267 412 I C -0.154 176.021 176.117 0.096 0.000 1.209 412 I CA -1.732 59.602 61.300 0.057 0.000 1.157 412 I CB 0.298 38.345 38.000 0.078 0.000 1.399 412 I HN 0.491 nan 8.210 nan 0.000 0.502 413 F N 3.343 123.275 119.950 -0.030 0.000 2.579 413 F HA 0.031 4.558 4.527 -0.001 0.000 0.397 413 F C 0.767 176.553 175.800 -0.024 0.000 1.027 413 F CA 0.460 58.444 58.000 -0.027 0.000 1.217 413 F CB -0.030 38.959 39.000 -0.019 0.000 0.986 413 F HN 0.481 nan 8.300 nan 0.000 0.551 414 M N 4.781 124.058 119.600 -0.539 0.000 2.461 414 M HA -0.227 4.253 4.480 -0.000 0.000 0.203 414 M C 1.184 177.351 176.300 -0.221 0.000 0.428 414 M CA 1.110 56.110 55.300 -0.500 0.000 0.509 414 M CB -2.447 29.743 32.600 -0.682 0.000 1.851 414 M HN 1.250 nan 8.290 nan 0.000 0.834 415 G N -1.061 107.655 108.800 -0.139 0.000 2.175 415 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.265 415 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.265 415 G C 0.630 175.500 174.900 -0.050 0.000 0.979 415 G CA 0.868 45.919 45.100 -0.082 0.000 0.663 415 G HN 1.302 nan 8.290 nan 0.000 0.533 416 G N -0.725 108.051 108.800 -0.039 0.000 2.690 416 G HA2 0.446 4.406 3.960 -0.000 0.000 0.239 416 G HA3 0.446 4.406 3.960 -0.000 0.000 0.239 416 G C -0.015 174.889 174.900 0.006 0.000 1.233 416 G CA 0.552 45.650 45.100 -0.004 0.000 0.847 416 G HN 0.463 nan 8.290 nan 0.000 0.588 417 K N -0.813 119.593 120.400 0.011 0.000 2.375 417 K HA 0.487 4.806 4.320 -0.000 0.000 0.249 417 K C -0.516 176.089 176.600 0.008 0.000 0.942 417 K CA -0.601 55.696 56.287 0.018 0.000 0.806 417 K CB 2.056 34.566 32.500 0.018 0.000 1.227 417 K HN 0.549 nan 8.250 nan 0.000 0.430 418 Q N 1.215 121.025 119.800 0.016 0.000 2.310 418 Q HA 0.480 4.819 4.340 -0.000 0.000 0.270 418 Q C -1.335 174.643 176.000 -0.036 0.000 1.025 418 Q CA -0.502 55.264 55.803 -0.062 0.000 0.772 418 Q CB 1.582 30.279 28.738 -0.068 0.000 1.253 418 Q HN 0.598 nan 8.270 nan 0.000 0.450 419 T N 4.368 118.853 114.554 -0.115 0.000 2.786 419 T HA 0.505 4.854 4.350 -0.000 0.000 0.283 419 T C -1.075 173.598 174.700 -0.046 0.000 0.992 419 T CA -0.290 61.833 62.100 0.039 0.000 0.954 419 T CB 0.186 69.091 68.868 0.062 0.000 0.934 419 T HN 0.325 nan 8.240 nan 0.000 0.440 420 F N 2.163 122.262 119.950 0.248 0.000 2.411 420 F HA 0.546 5.073 4.527 -0.000 0.000 0.352 420 F C 0.103 176.044 175.800 0.236 0.000 1.123 420 F CA -1.192 56.952 58.000 0.240 0.000 1.044 420 F CB 1.003 40.191 39.000 0.314 0.000 1.135 420 F HN 0.181 nan 8.300 nan 0.000 0.461 421 V N 4.409 124.503 119.914 0.299 0.000 2.472 421 V HA 0.649 4.769 4.120 -0.000 0.000 0.290 421 V C -0.287 175.912 176.094 0.174 0.000 1.037 421 V CA -0.766 61.673 62.300 0.232 0.000 0.908 421 V CB 1.793 33.712 31.823 0.160 0.000 0.985 421 V HN 0.530 nan 8.190 nan 0.000 0.454 422 V N 3.682 123.684 119.914 0.146 0.000 2.709 422 V HA 0.462 4.581 4.120 -0.000 0.000 0.308 422 V C -1.023 175.103 176.094 0.054 0.000 1.062 422 V CA -0.727 61.590 62.300 0.028 0.000 0.901 422 V CB 1.967 33.717 31.823 -0.121 0.000 1.003 422 V HN 1.000 nan 8.190 nan 0.000 0.425 423 H N 3.585 122.616 119.070 -0.066 0.000 2.658 423 H HA 0.593 5.149 4.556 -0.000 0.000 0.337 423 H C -0.729 174.536 175.328 -0.104 0.000 1.009 423 H CA -0.333 55.682 56.048 -0.054 0.000 1.231 423 H CB 1.261 31.014 29.762 -0.016 0.000 1.508 423 H HN 0.600 nan 8.280 nan 0.000 0.517 424 N N 3.670 122.123 118.700 -0.412 0.000 2.573 424 N HA 0.145 4.885 4.740 -0.000 0.000 0.262 424 N C -1.303 174.043 175.510 -0.274 0.000 1.029 424 N CA -0.473 52.408 53.050 -0.283 0.000 0.882 424 N CB 1.296 39.612 38.487 -0.285 0.000 1.204 424 N HN 0.570 nan 8.380 nan 0.000 0.519 425 T N 3.140 117.615 114.554 -0.131 0.000 2.743 425 T HA 0.177 4.527 4.350 -0.000 0.000 0.290 425 T C -0.120 174.531 174.700 -0.081 0.000 0.908 425 T CA 0.025 62.076 62.100 -0.082 0.000 1.092 425 T CB -0.631 68.243 68.868 0.011 0.000 0.882 425 T HN 0.437 nan 8.240 nan 0.000 0.531 426 C N 4.951 124.193 119.300 -0.096 0.000 2.225 426 C HA 0.259 4.718 4.460 -0.000 0.000 0.323 426 C C 0.786 175.737 174.990 -0.065 0.000 1.164 426 C CA -1.232 57.740 59.018 -0.077 0.000 1.565 426 C CB -0.441 27.253 27.740 -0.077 0.000 2.124 426 C HN 0.691 nan 8.230 nan 0.000 0.461 427 E N 2.263 122.428 120.200 -0.059 0.000 1.775 427 E HA 0.003 4.353 4.350 -0.000 0.000 0.266 427 E C 0.769 177.322 176.600 -0.079 0.000 1.191 427 E CA 0.154 56.514 56.400 -0.067 0.000 1.048 427 E CB 0.109 29.772 29.700 -0.062 0.000 1.081 427 E HN 0.577 nan 8.360 nan 0.000 0.434 428 D N 1.101 121.459 120.400 -0.070 0.000 2.133 428 D HA -0.173 4.467 4.640 -0.000 0.000 0.192 428 D C 1.446 177.684 176.300 -0.103 0.000 1.001 428 D CA 1.446 55.407 54.000 -0.066 0.000 0.844 428 D CB 0.148 40.928 40.800 -0.035 0.000 0.944 428 D HN 0.207 nan 8.370 nan 0.000 0.447 429 S N -0.034 115.590 115.700 -0.126 0.000 2.382 429 S HA -0.059 4.410 4.470 -0.000 0.000 0.228 429 S C 2.159 176.641 174.600 -0.196 0.000 1.027 429 S CA 0.451 58.546 58.200 -0.175 0.000 0.991 429 S CB -0.112 62.964 63.200 -0.206 0.000 0.823 429 S HN 0.268 nan 8.310 nan 0.000 0.469 430 L N 0.609 121.733 121.223 -0.165 0.000 2.217 430 L HA 0.021 4.361 4.340 -0.000 0.000 0.211 430 L C 2.041 178.853 176.870 -0.097 0.000 1.107 430 L CA 0.669 55.435 54.840 -0.123 0.000 0.783 430 L CB -0.374 41.632 42.059 -0.089 0.000 0.919 430 L HN 0.288 nan 8.230 nan 0.000 0.442 431 L N -0.702 120.456 121.223 -0.108 0.000 2.095 431 L HA -0.069 4.271 4.340 -0.000 0.000 0.204 431 L C 2.813 179.577 176.870 -0.178 0.000 1.080 431 L CA 0.980 55.757 54.840 -0.105 0.000 0.759 431 L CB -0.480 41.531 42.059 -0.080 0.000 0.914 431 L HN 0.188 nan 8.230 nan 0.000 0.439 432 A N -0.484 122.185 122.820 -0.252 0.000 1.872 432 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 432 A C 2.468 179.687 177.584 -0.609 0.000 1.187 432 A CA 1.800 53.551 52.037 -0.476 0.000 0.614 432 A CB -0.619 18.101 19.000 -0.468 0.000 0.826 432 A HN 0.363 nan 8.150 nan 0.000 0.442 433 S N 0.842 116.258 115.700 -0.473 0.000 2.359 433 S HA -0.124 4.346 4.470 -0.000 0.000 0.222 433 S C -0.293 173.852 174.600 -0.758 0.000 1.038 433 S CA 1.708 59.559 58.200 -0.582 0.000 1.051 433 S CB -1.563 61.375 63.200 -0.438 0.000 0.944 433 S HN 0.540 nan 8.310 nan 0.000 0.433 434 P HA -0.094 nan 4.420 nan 0.000 0.217 434 P C 1.154 178.315 177.300 -0.230 0.000 1.148 434 P CA 0.979 63.928 63.100 -0.250 0.000 0.834 434 P CB -0.131 31.569 31.700 -0.000 0.000 0.783 435 L N -1.349 119.701 121.223 -0.290 0.000 2.217 435 L HA -0.022 4.317 4.340 -0.000 0.000 0.211 435 L C 2.624 179.376 176.870 -0.197 0.000 1.107 435 L CA 1.206 55.925 54.840 -0.202 0.000 0.783 435 L CB -1.199 40.725 42.059 -0.226 0.000 0.919 435 L HN -0.105 nan 8.230 nan 0.000 0.442 436 I N -1.922 118.420 120.570 -0.380 0.000 2.252 436 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 436 I C 2.173 178.252 176.117 -0.063 0.000 1.102 436 I CA 1.074 62.248 61.300 -0.211 0.000 1.385 436 I CB -0.269 37.550 38.000 -0.301 0.000 1.064 436 I HN 0.191 nan 8.210 nan 0.000 0.414 437 Y N 0.744 121.005 120.300 -0.065 0.000 2.242 437 Y HA -0.219 4.331 4.550 -0.001 0.000 0.291 437 Y C 2.360 178.223 175.900 -0.061 0.000 1.137 437 Y CA 0.551 58.607 58.100 -0.074 0.000 1.181 437 Y CB -1.109 37.274 38.460 -0.128 0.000 0.989 437 Y HN 0.219 nan 8.280 nan 0.000 0.527 438 D N -0.022 120.426 120.400 0.079 0.000 2.117 438 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 438 D C 2.304 178.623 176.300 0.031 0.000 0.982 438 D CA 0.989 55.008 54.000 0.032 0.000 0.828 438 D CB -0.399 40.401 40.800 -0.001 0.000 0.967 438 D HN 0.297 nan 8.370 nan 0.000 0.464 439 L N 1.037 122.289 121.223 0.048 0.000 2.017 439 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 439 L C 2.657 179.558 176.870 0.052 0.000 1.073 439 L CA 1.309 56.182 54.840 0.055 0.000 0.745 439 L CB -0.503 41.615 42.059 0.098 0.000 0.894 439 L HN -0.042 nan 8.230 nan 0.000 0.432 440 A N 0.079 122.943 122.820 0.074 0.000 1.908 440 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 440 A C 2.252 179.871 177.584 0.058 0.000 1.181 440 A CA 1.888 53.974 52.037 0.081 0.000 0.627 440 A CB -0.744 18.317 19.000 0.101 0.000 0.818 440 A HN 0.391 nan 8.150 nan 0.000 0.445 441 I N -0.760 119.838 120.570 0.047 0.000 2.333 441 I HA -0.173 3.997 4.170 -0.000 0.000 0.246 441 I C 2.202 178.336 176.117 0.028 0.000 1.106 441 I CA 0.837 62.158 61.300 0.034 0.000 1.411 441 I CB -0.196 37.819 38.000 0.026 0.000 1.082 441 I HN 0.265 nan 8.210 nan 0.000 0.420 442 L N -0.100 121.133 121.223 0.016 0.000 2.201 442 L HA -0.154 4.185 4.340 -0.000 0.000 0.212 442 L C 2.491 179.325 176.870 -0.060 0.000 1.105 442 L CA 1.113 55.951 54.840 -0.005 0.000 0.775 442 L CB -0.786 41.261 42.059 -0.021 0.000 0.913 442 L HN 0.229 nan 8.230 nan 0.000 0.440 443 T N -1.092 113.426 114.554 -0.060 0.000 2.737 443 T HA -0.189 4.161 4.350 -0.000 0.000 0.265 443 T C 1.865 176.507 174.700 -0.097 0.000 1.038 443 T CA 1.141 63.165 62.100 -0.126 0.000 1.144 443 T CB -0.119 68.716 68.868 -0.056 0.000 0.866 443 T HN 0.258 nan 8.240 nan 0.000 0.434 444 E N 1.027 121.228 120.200 0.001 0.000 2.118 444 E HA -0.131 4.219 4.350 -0.000 0.000 0.195 444 E C 2.228 178.843 176.600 0.025 0.000 0.992 444 E CA 0.874 57.304 56.400 0.048 0.000 0.804 444 E CB -0.303 29.438 29.700 0.067 0.000 0.741 444 E HN 0.368 nan 8.360 nan 0.000 0.458 445 L N 0.844 122.066 121.223 -0.001 0.000 2.027 445 L HA -0.052 4.288 4.340 -0.000 0.000 0.206 445 L C 2.351 179.201 176.870 -0.033 0.000 1.074 445 L CA 2.489 57.322 54.840 -0.011 0.000 0.745 445 L CB -0.964 41.093 42.059 -0.003 0.000 0.898 445 L HN 0.061 nan 8.230 nan 0.000 0.433 446 A N -0.663 122.108 122.820 -0.082 0.000 2.024 446 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 446 A C 2.463 180.057 177.584 0.016 0.000 1.164 446 A CA 1.822 53.782 52.037 -0.128 0.000 0.643 446 A CB -1.195 17.563 19.000 -0.405 0.000 0.806 446 A HN 0.712 nan 8.150 nan 0.000 0.451 447 S N -0.807 114.954 115.700 0.102 0.000 2.507 447 S HA -0.066 4.404 4.470 -0.000 0.000 0.235 447 S C 1.643 176.324 174.600 0.135 0.000 0.988 447 S CA 1.035 59.386 58.200 0.251 0.000 0.944 447 S CB -0.309 63.036 63.200 0.242 0.000 0.762 447 S HN 0.616 nan 8.310 nan 0.000 0.526 448 R N 0.075 120.606 120.500 0.052 0.000 2.362 448 R HA 0.340 4.680 4.340 -0.000 0.000 0.227 448 R C -0.662 175.621 176.300 -0.029 0.000 0.905 448 R CA -0.019 56.090 56.100 0.014 0.000 1.067 448 R CB 0.783 31.085 30.300 0.003 0.000 1.078 448 R HN 0.293 nan 8.270 nan 0.000 0.516 449 V N 1.280 121.142 119.914 -0.086 0.000 2.483 449 V HA 0.340 4.460 4.120 -0.000 0.000 0.295 449 V C 0.064 176.043 176.094 -0.192 0.000 1.035 449 V CA -0.558 61.634 62.300 -0.181 0.000 0.896 449 V CB 1.693 33.297 31.823 -0.366 0.000 0.986 449 V HN 0.226 nan 8.190 nan 0.000 0.447 450 S N 3.677 119.376 115.700 -0.000 0.000 2.618 450 S HA 0.922 5.391 4.470 -0.000 0.000 0.277 450 S C -1.231 173.651 174.600 0.469 0.000 1.138 450 S CA -0.768 57.530 58.200 0.164 0.000 0.844 450 S CB 2.304 65.614 63.200 0.184 0.000 1.127 450 S HN 1.027 nan 8.310 nan 0.000 0.474 451 Y N -1.145 119.316 120.300 0.268 0.000 2.597 451 Y HA 0.672 5.222 4.550 -0.000 0.000 0.340 451 Y C -0.995 174.798 175.900 -0.179 0.000 1.097 451 Y CA -1.343 56.877 58.100 0.200 0.000 1.037 451 Y CB 0.946 39.626 38.460 0.367 0.000 1.305 451 Y HN 0.713 nan 8.280 nan 0.000 0.463 452 K N 2.106 122.186 120.400 -0.532 0.000 2.349 452 K HA 0.342 4.662 4.320 -0.000 0.000 0.289 452 K C 0.071 176.367 176.600 -0.508 0.000 1.064 452 K CA -0.084 55.739 56.287 -0.774 0.000 0.947 452 K CB 1.272 33.385 32.500 -0.646 0.000 1.007 452 K HN 0.734 nan 8.250 nan 0.000 0.478 453 V N 2.094 121.687 119.914 -0.535 0.000 2.365 453 V HA -0.077 4.043 4.120 -0.000 0.000 0.232 453 V C 0.531 176.505 176.094 -0.199 0.000 1.065 453 V CA 1.204 63.319 62.300 -0.309 0.000 1.054 453 V CB 0.090 31.754 31.823 -0.265 0.000 0.685 453 V HN 0.733 nan 8.190 nan 0.000 0.480 454 D N -0.518 119.776 120.400 -0.177 0.000 2.739 454 D HA 0.237 4.877 4.640 -0.000 0.000 0.335 454 D C -0.372 175.862 176.300 -0.110 0.000 1.216 454 D CA 0.103 54.031 54.000 -0.120 0.000 0.808 454 D CB 0.521 41.276 40.800 -0.076 0.000 1.121 454 D HN 0.333 nan 8.370 nan 0.000 0.499 455 D N -0.333 119.983 120.400 -0.140 0.000 2.553 455 D HA -0.135 4.505 4.640 -0.000 0.000 0.178 455 D C 0.148 176.414 176.300 -0.056 0.000 0.951 455 D CA 1.033 54.980 54.000 -0.088 0.000 1.015 455 D CB -0.014 40.760 40.800 -0.044 0.000 1.069 455 D HN 0.422 nan 8.370 nan 0.000 0.463 456 E N -0.440 119.705 120.200 -0.092 0.000 2.235 456 E HA 0.430 4.780 4.350 -0.000 0.000 0.265 456 E C -0.439 176.084 176.600 -0.129 0.000 0.940 456 E CA -0.554 55.833 56.400 -0.022 0.000 0.819 456 E CB 1.140 30.831 29.700 -0.015 0.000 1.206 456 E HN 0.037 nan 8.360 nan 0.000 0.409 457 Y N 0.788 121.030 120.300 -0.095 0.000 2.323 457 Y HA 0.287 4.837 4.550 -0.000 0.000 0.331 457 Y C 0.566 176.377 175.900 -0.148 0.000 1.092 457 Y CA 0.022 58.047 58.100 -0.126 0.000 1.150 457 Y CB 1.220 39.642 38.460 -0.063 0.000 1.200 457 Y HN 0.091 nan 8.280 nan 0.000 0.472 458 K N 4.867 125.167 120.400 -0.166 0.000 2.375 458 K HA 0.453 4.773 4.320 -0.000 0.000 0.249 458 K C -2.794 173.816 176.600 0.017 0.000 0.942 458 K CA -2.135 54.070 56.287 -0.135 0.000 0.806 458 K CB 2.084 34.431 32.500 -0.255 0.000 1.227 458 K HN 0.309 nan 8.250 nan 0.000 0.430 459 P HA 0.098 nan 4.420 nan 0.000 0.274 459 P C -0.465 177.115 177.300 0.466 0.000 1.237 459 P CA -0.379 62.834 63.100 0.187 0.000 0.793 459 P CB 0.380 32.146 31.700 0.111 0.000 0.977 460 F N -0.278 119.987 119.950 0.526 0.000 2.633 460 F HA -0.016 4.511 4.527 -0.001 0.000 0.338 460 F C 1.952 178.037 175.800 0.475 0.000 1.206 460 F CA 0.245 58.512 58.000 0.445 0.000 1.378 460 F CB -1.130 38.037 39.000 0.278 0.000 1.116 460 F HN 0.408 nan 8.300 nan 0.000 0.615 461 H N 0.840 120.208 119.070 0.497 0.000 3.092 461 H HA -0.068 4.488 4.556 -0.000 0.000 0.332 461 H C 1.125 176.728 175.328 0.458 0.000 1.029 461 H CA 0.802 57.060 56.048 0.349 0.000 1.376 461 H CB 0.873 30.764 29.762 0.215 0.000 1.329 461 H HN 0.606 nan 8.280 nan 0.000 0.598 462 S N 2.926 118.750 115.700 0.206 0.000 2.387 462 S HA -0.098 4.372 4.470 -0.000 0.000 0.230 462 S C 0.993 175.957 174.600 0.607 0.000 1.035 462 S CA 0.880 59.282 58.200 0.336 0.000 1.014 462 S CB 0.135 63.386 63.200 0.085 0.000 0.836 462 S HN 0.404 nan 8.310 nan 0.000 0.466 463 V N 4.477 124.791 119.914 0.667 0.000 2.338 463 V HA 0.176 4.296 4.120 -0.000 0.000 0.255 463 V C 0.124 176.365 176.094 0.245 0.000 1.082 463 V CA -0.187 62.328 62.300 0.360 0.000 0.951 463 V CB -0.127 31.807 31.823 0.185 0.000 1.102 463 V HN 0.437 nan 8.190 nan 0.000 0.489 464 L N 3.775 125.113 121.223 0.192 0.000 2.375 464 L HA 0.353 4.693 4.340 -0.000 0.000 0.276 464 L C 1.364 178.210 176.870 -0.039 0.000 1.162 464 L CA -0.144 54.709 54.840 0.023 0.000 0.991 464 L CB 0.679 42.603 42.059 -0.224 0.000 1.315 464 L HN 0.569 nan 8.230 nan 0.000 0.431 465 S N 3.401 119.070 115.700 -0.052 0.000 2.474 465 S HA -0.186 4.283 4.470 -0.000 0.000 0.235 465 S C 1.652 176.195 174.600 -0.096 0.000 0.997 465 S CA 1.030 59.189 58.200 -0.069 0.000 0.949 465 S CB -0.704 62.447 63.200 -0.082 0.000 0.766 465 S HN 0.892 nan 8.310 nan 0.000 0.517 466 I N -0.909 119.577 120.570 -0.139 0.000 2.800 466 I HA -0.023 4.147 4.170 -0.000 0.000 0.266 466 I C 1.625 177.680 176.117 -0.103 0.000 1.249 466 I CA 1.122 62.332 61.300 -0.149 0.000 1.458 466 I CB -0.639 37.242 38.000 -0.198 0.000 1.093 466 I HN 0.207 nan 8.210 nan 0.000 0.466 467 L N 0.360 121.537 121.223 -0.076 0.000 2.599 467 L HA 0.054 4.393 4.340 -0.000 0.000 0.230 467 L C 2.357 179.223 176.870 -0.007 0.000 1.141 467 L CA 0.099 54.916 54.840 -0.038 0.000 0.877 467 L CB -0.460 41.584 42.059 -0.024 0.000 1.009 467 L HN 0.224 nan 8.230 nan 0.000 0.447 468 S N 1.364 117.053 115.700 -0.019 0.000 2.387 468 S HA -0.198 4.271 4.470 -0.000 0.000 0.230 468 S C 1.973 176.600 174.600 0.046 0.000 1.035 468 S CA 1.682 59.886 58.200 0.006 0.000 1.014 468 S CB -0.344 62.846 63.200 -0.016 0.000 0.836 468 S HN 0.587 nan 8.310 nan 0.000 0.466 469 L N -0.945 120.294 121.223 0.028 0.000 2.265 469 L HA 0.005 4.344 4.340 -0.000 0.000 0.215 469 L C 1.409 178.409 176.870 0.216 0.000 1.117 469 L CA 1.122 56.016 54.840 0.090 0.000 0.782 469 L CB -0.498 41.514 42.059 -0.078 0.000 0.914 469 L HN 0.178 nan 8.230 nan 0.000 0.441 470 L N 0.501 121.807 121.223 0.138 0.000 2.567 470 L HA 0.392 4.732 4.340 -0.000 0.000 0.225 470 L C 0.517 177.486 176.870 0.166 0.000 1.119 470 L CA 0.549 55.482 54.840 0.156 0.000 0.871 470 L CB -0.583 41.549 42.059 0.121 0.000 1.036 470 L HN 0.294 nan 8.230 nan 0.000 0.459 471 L N -1.293 120.008 121.223 0.129 0.000 2.388 471 L HA 0.345 4.685 4.340 -0.000 0.000 0.264 471 L C 1.216 178.136 176.870 0.083 0.000 0.998 471 L CA -0.438 54.459 54.840 0.095 0.000 0.817 471 L CB 2.517 44.606 42.059 0.050 0.000 1.338 471 L HN -0.190 nan 8.230 nan 0.000 0.414 472 K N 1.363 121.801 120.400 0.064 0.000 2.137 472 K HA 0.181 4.500 4.320 -0.000 0.000 0.202 472 K C 0.484 177.108 176.600 0.041 0.000 1.052 472 K CA 0.953 57.276 56.287 0.060 0.000 0.961 472 K CB 0.322 32.850 32.500 0.047 0.000 0.741 472 K HN 0.639 nan 8.250 nan 0.000 0.452 473 A N 2.664 125.496 122.820 0.020 0.000 3.105 473 A HA 0.302 4.622 4.320 -0.000 0.000 0.336 473 A C -2.680 174.906 177.584 0.003 0.000 1.042 473 A CA -1.428 50.615 52.037 0.010 0.000 0.851 473 A CB 0.280 19.283 19.000 0.004 0.000 1.068 473 A HN -0.075 nan 8.150 nan 0.000 0.477 474 P HA 0.227 nan 4.420 nan 0.000 0.271 474 P C -0.041 177.256 177.300 -0.005 0.000 1.220 474 P CA 0.237 63.339 63.100 0.002 0.000 0.768 474 P CB 1.191 32.893 31.700 0.003 0.000 0.848 475 V N 4.820 124.731 119.914 -0.005 0.000 2.546 475 V HA 0.377 4.497 4.120 -0.000 0.000 0.284 475 V C 0.786 176.875 176.094 -0.009 0.000 1.050 475 V CA -0.276 62.022 62.300 -0.003 0.000 0.981 475 V CB 1.337 33.165 31.823 0.009 0.000 0.990 475 V HN 0.504 nan 8.190 nan 0.000 0.474 476 V N 2.941 122.840 119.914 -0.025 0.000 3.007 476 V HA 0.705 4.824 4.120 -0.000 0.000 0.311 476 V C -2.898 173.130 176.094 -0.109 0.000 1.120 476 V CA -2.977 59.286 62.300 -0.061 0.000 0.980 476 V CB 1.891 33.676 31.823 -0.062 0.000 1.033 476 V HN 0.647 nan 8.190 nan 0.000 0.429 477 P HA 0.160 nan 4.420 nan 0.000 0.261 477 P C -2.590 174.584 177.300 -0.210 0.000 1.173 477 P CA -0.108 62.714 63.100 -0.463 0.000 0.760 477 P CB -0.411 30.860 31.700 -0.714 0.000 0.783 478 P HA -0.075 nan 4.420 nan 0.000 0.263 478 P C 1.031 178.319 177.300 -0.021 0.000 1.168 478 P CA 1.381 64.468 63.100 -0.023 0.000 0.759 478 P CB 0.091 31.813 31.700 0.036 0.000 0.782 479 G N 1.386 110.180 108.800 -0.011 0.000 2.148 479 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.254 479 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.254 479 G C 0.192 175.085 174.900 -0.011 0.000 0.981 479 G CA 0.442 45.541 45.100 -0.002 0.000 0.670 479 G HN 0.909 nan 8.290 nan 0.000 0.528 480 T N -1.326 113.210 114.554 -0.030 0.000 2.908 480 T HA 0.773 5.122 4.350 -0.000 0.000 0.290 480 T C -2.404 172.276 174.700 -0.033 0.000 1.034 480 T CA -1.310 60.770 62.100 -0.033 0.000 1.010 480 T CB 3.127 71.962 68.868 -0.055 0.000 1.068 480 T HN 0.195 nan 8.240 nan 0.000 0.481 481 P HA 0.424 nan 4.420 nan 0.000 0.275 481 P C -0.500 176.782 177.300 -0.030 0.000 1.228 481 P CA -0.599 62.485 63.100 -0.026 0.000 0.786 481 P CB 0.636 32.322 31.700 -0.023 0.000 0.927 482 I N 1.145 121.700 120.570 -0.025 0.000 2.634 482 I HA 0.086 4.256 4.170 -0.000 0.000 0.284 482 I C 1.014 177.120 176.117 -0.018 0.000 1.124 482 I CA 0.449 61.736 61.300 -0.021 0.000 1.417 482 I CB 0.652 38.644 38.000 -0.014 0.000 1.396 482 I HN 0.304 nan 8.210 nan 0.000 0.571 483 S N 5.052 120.742 115.700 -0.015 0.000 2.640 483 S HA 0.373 4.842 4.470 -0.000 0.000 0.320 483 S C 0.356 174.961 174.600 0.007 0.000 1.097 483 S CA -0.711 57.483 58.200 -0.010 0.000 1.092 483 S CB 0.414 63.601 63.200 -0.021 0.000 0.988 483 S HN 0.601 nan 8.310 nan 0.000 0.470 484 N N 2.629 121.340 118.700 0.019 0.000 2.322 484 N HA 0.160 4.900 4.740 -0.000 0.000 0.181 484 N C 0.297 175.850 175.510 0.072 0.000 1.088 484 N CA 0.144 53.221 53.050 0.045 0.000 0.885 484 N CB 0.575 39.089 38.487 0.044 0.000 1.013 484 N HN 0.625 nan 8.380 nan 0.000 0.472 485 A N 0.940 123.795 122.820 0.058 0.000 2.350 485 A HA 0.192 4.512 4.320 -0.000 0.000 0.293 485 A C 0.899 178.552 177.584 0.116 0.000 1.231 485 A CA -0.558 51.529 52.037 0.083 0.000 0.883 485 A CB -0.235 18.796 19.000 0.052 0.000 1.133 485 A HN 0.218 nan 8.150 nan 0.000 0.533 486 F N 3.715 123.675 119.950 0.016 0.000 2.063 486 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 486 F C 1.943 177.777 175.800 0.056 0.000 1.109 486 F CA 2.426 60.441 58.000 0.025 0.000 1.212 486 F CB -0.051 38.947 39.000 -0.004 0.000 0.973 486 F HN 0.509 nan 8.300 nan 0.000 0.480 487 M N 0.446 120.103 119.600 0.095 0.000 2.279 487 M HA -0.150 4.330 4.480 -0.000 0.000 0.264 487 M C 2.065 178.371 176.300 0.011 0.000 1.062 487 M CA 1.384 56.685 55.300 0.000 0.000 1.099 487 M CB -1.182 31.495 32.600 0.128 0.000 1.394 487 M HN 0.228 nan 8.290 nan 0.000 0.426 488 R N 0.032 120.538 120.500 0.011 0.000 2.115 488 R HA -0.095 4.244 4.340 -0.000 0.000 0.230 488 R C 1.967 178.241 176.300 -0.043 0.000 1.111 488 R CA 1.023 57.127 56.100 0.006 0.000 0.976 488 R CB -0.526 29.783 30.300 0.016 0.000 0.870 488 R HN 0.580 nan 8.270 nan 0.000 0.445 489 Q N -0.419 119.324 119.800 -0.094 0.000 2.230 489 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 489 Q C 1.649 177.554 176.000 -0.158 0.000 0.963 489 Q CA 0.972 56.699 55.803 -0.127 0.000 0.866 489 Q CB -0.087 28.575 28.738 -0.126 0.000 0.931 489 Q HN 0.232 nan 8.270 nan 0.000 0.452 490 F N 0.873 120.585 119.950 -0.397 0.000 2.187 490 F HA -0.127 4.400 4.527 -0.000 0.000 0.295 490 F C 2.249 177.952 175.800 -0.161 0.000 1.091 490 F CA 1.405 59.190 58.000 -0.357 0.000 1.308 490 F CB -0.158 38.532 39.000 -0.515 0.000 1.030 490 F HN -0.011 nan 8.300 nan 0.000 0.487 491 S N -1.203 114.434 115.700 -0.104 0.000 2.423 491 S HA -0.149 4.320 4.470 -0.000 0.000 0.231 491 S C 1.879 176.375 174.600 -0.172 0.000 1.014 491 S CA 1.349 59.461 58.200 -0.147 0.000 0.965 491 S CB -1.181 62.020 63.200 0.001 0.000 0.785 491 S HN 0.414 nan 8.310 nan 0.000 0.495 492 T N 3.000 117.462 114.554 -0.153 0.000 2.652 492 T HA -0.015 4.335 4.350 -0.000 0.000 0.267 492 T C 1.660 176.228 174.700 -0.219 0.000 1.039 492 T CA 1.462 63.460 62.100 -0.170 0.000 1.153 492 T CB -0.594 68.183 68.868 -0.153 0.000 0.863 492 T HN 0.272 nan 8.240 nan 0.000 0.428 493 L N 1.601 122.690 121.223 -0.225 0.000 2.046 493 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 493 L C 2.703 179.474 176.870 -0.164 0.000 1.077 493 L CA 2.284 57.014 54.840 -0.182 0.000 0.747 493 L CB -1.259 40.700 42.059 -0.167 0.000 0.896 493 L HN 0.470 nan 8.230 nan 0.000 0.432 494 T N -3.693 110.690 114.554 -0.284 0.000 2.942 494 T HA -0.154 4.195 4.350 -0.000 0.000 0.265 494 T C 1.955 176.512 174.700 -0.238 0.000 1.062 494 T CA 1.118 63.073 62.100 -0.243 0.000 1.139 494 T CB -0.325 68.311 68.868 -0.388 0.000 0.883 494 T HN 0.320 nan 8.240 nan 0.000 0.468 495 K N 0.481 120.739 120.400 -0.237 0.000 2.097 495 K HA 0.024 4.344 4.320 -0.000 0.000 0.205 495 K C 2.222 178.600 176.600 -0.370 0.000 1.050 495 K CA 0.935 57.076 56.287 -0.244 0.000 0.938 495 K CB -0.332 32.062 32.500 -0.176 0.000 0.718 495 K HN 0.291 nan 8.250 nan 0.000 0.442 496 L N 1.080 122.078 121.223 -0.375 0.000 1.994 496 L HA -0.156 4.183 4.340 -0.000 0.000 0.208 496 L C 2.128 178.708 176.870 -0.485 0.000 1.071 496 L CA 1.851 56.407 54.840 -0.474 0.000 0.745 496 L CB -0.581 41.233 42.059 -0.408 0.000 0.892 496 L HN 0.170 nan 8.230 nan 0.000 0.431 497 V N -2.913 116.765 119.914 -0.394 0.000 2.626 497 V HA -0.168 3.952 4.120 -0.000 0.000 0.252 497 V C 2.364 178.161 176.094 -0.494 0.000 1.067 497 V CA 1.880 63.917 62.300 -0.438 0.000 1.081 497 V CB -2.128 29.380 31.823 -0.526 0.000 0.686 497 V HN 0.711 nan 8.190 nan 0.000 0.468 498 T N -1.107 113.174 114.554 -0.455 0.000 2.812 498 T HA 0.067 4.417 4.350 -0.000 0.000 0.264 498 T C 2.098 176.466 174.700 -0.553 0.000 1.042 498 T CA 1.438 63.228 62.100 -0.516 0.000 1.140 498 T CB -0.649 68.072 68.868 -0.246 0.000 0.870 498 T HN 0.803 nan 8.240 nan 0.000 0.445 499 A N 2.218 124.726 122.820 -0.519 0.000 1.883 499 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 499 A C 2.448 179.783 177.584 -0.414 0.000 1.186 499 A CA 1.697 53.411 52.037 -0.537 0.000 0.624 499 A CB -1.108 17.300 19.000 -0.987 0.000 0.822 499 A HN 0.550 nan 8.150 nan 0.000 0.444 500 L N -0.857 120.022 121.223 -0.573 0.000 2.013 500 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 500 L C 3.000 179.694 176.870 -0.293 0.000 1.073 500 L CA 1.446 56.033 54.840 -0.422 0.000 0.753 500 L CB -0.591 41.218 42.059 -0.417 0.000 0.890 500 L HN 0.431 nan 8.230 nan 0.000 0.432 501 A N -1.023 121.520 122.820 -0.463 0.000 2.066 501 A HA 0.204 4.524 4.320 -0.000 0.000 0.218 501 A C 1.860 179.141 177.584 -0.505 0.000 1.157 501 A CA 1.229 52.945 52.037 -0.534 0.000 0.670 501 A CB -0.318 18.172 19.000 -0.851 0.000 0.804 501 A HN 0.607 nan 8.150 nan 0.000 0.453 502 G N -2.035 106.490 108.800 -0.458 0.000 2.192 502 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.193 502 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.193 502 G C 0.090 174.972 174.900 -0.031 0.000 0.999 502 G CA 0.039 45.054 45.100 -0.142 0.000 0.659 502 G HN 1.140 nan 8.290 nan 0.000 0.503 503 F N 0.412 120.355 119.950 -0.012 0.000 2.564 503 F HA 0.626 5.153 4.527 -0.000 0.000 0.329 503 F C -2.353 173.424 175.800 -0.038 0.000 1.458 503 F CA -3.308 54.682 58.000 -0.017 0.000 1.117 503 F CB 0.609 39.587 39.000 -0.035 0.000 1.383 503 F HN -0.025 nan 8.300 nan 0.000 0.571 504 P HA 0.569 nan 4.420 nan 0.000 0.278 504 P C -0.351 177.013 177.300 0.106 0.000 1.258 504 P CA -0.184 62.948 63.100 0.053 0.000 0.811 504 P CB 2.152 33.875 31.700 0.039 0.000 1.063 505 S N -1.320 114.421 115.700 0.068 0.000 2.727 505 S HA 0.359 4.828 4.470 -0.000 0.000 0.278 505 S C -0.843 173.771 174.600 0.023 0.000 1.186 505 S CA -0.699 57.524 58.200 0.039 0.000 0.836 505 S CB 0.771 63.962 63.200 -0.015 0.000 1.186 505 S HN 0.275 nan 8.310 nan 0.000 0.499 506 D N 1.225 121.621 120.400 -0.006 0.000 2.894 506 D HA 0.235 4.875 4.640 -0.000 0.000 0.248 506 D C 0.670 176.942 176.300 -0.047 0.000 1.291 506 D CA 0.088 54.080 54.000 -0.012 0.000 0.840 506 D CB 0.549 41.341 40.800 -0.015 0.000 1.044 506 D HN 0.615 nan 8.370 nan 0.000 0.484 507 T N 0.605 115.112 114.554 -0.078 0.000 3.160 507 T HA -0.096 4.254 4.350 -0.000 0.000 0.257 507 T C 1.241 175.922 174.700 -0.031 0.000 1.147 507 T CA 0.456 62.470 62.100 -0.143 0.000 1.064 507 T CB 0.092 68.754 68.868 -0.344 0.000 0.949 507 T HN 0.176 nan 8.240 nan 0.000 0.526 508 D N 0.188 120.606 120.400 0.030 0.000 2.363 508 D HA -0.000 4.640 4.640 -0.000 0.000 0.220 508 D C 0.773 177.125 176.300 0.086 0.000 0.994 508 D CA 0.184 54.241 54.000 0.094 0.000 0.890 508 D CB -0.121 40.736 40.800 0.095 0.000 0.906 508 D HN 0.450 nan 8.370 nan 0.000 0.530 509 M N 1.191 120.814 119.600 0.040 0.000 1.988 509 M HA 0.136 4.615 4.480 -0.000 0.000 0.243 509 M C -1.475 174.794 176.300 -0.053 0.000 0.897 509 M CA -0.316 55.013 55.300 0.048 0.000 0.935 509 M CB 1.220 33.856 32.600 0.059 0.000 1.956 509 M HN -0.274 nan 8.290 nan 0.000 0.389 510 Q N 3.745 123.477 119.800 -0.114 0.000 2.837 510 Q HA 0.161 4.501 4.340 -0.000 0.000 0.235 510 Q C 0.975 176.633 176.000 -0.571 0.000 1.348 510 Q CA -0.073 55.469 55.803 -0.436 0.000 0.990 510 Q CB 0.458 28.764 28.738 -0.720 0.000 1.570 510 Q HN 0.816 nan 8.270 nan 0.000 0.575 511 I N 0.918 121.182 120.570 -0.511 0.000 2.916 511 I HA -0.232 3.938 4.170 -0.000 0.000 0.267 511 I C 0.814 176.401 176.117 -0.883 0.000 1.263 511 I CA 0.802 61.555 61.300 -0.912 0.000 1.471 511 I CB 0.413 38.090 38.000 -0.538 0.000 1.089 511 I HN 0.463 nan 8.210 nan 0.000 0.468 512 E N 0.461 120.291 120.200 -0.615 0.000 2.267 512 E HA -0.209 4.140 4.350 -0.000 0.000 0.197 512 E C 1.532 178.029 176.600 -0.173 0.000 0.998 512 E CA 1.253 57.429 56.400 -0.372 0.000 0.830 512 E CB -0.258 29.267 29.700 -0.291 0.000 0.751 512 E HN 0.461 nan 8.360 nan 0.000 0.491 513 F N -0.653 119.138 119.950 -0.266 0.000 2.615 513 F HA 0.109 4.636 4.527 -0.000 0.000 0.297 513 F C 1.120 176.947 175.800 0.045 0.000 1.124 513 F CA -0.083 57.860 58.000 -0.095 0.000 1.451 513 F CB -0.328 38.678 39.000 0.011 0.000 1.103 513 F HN 0.085 nan 8.300 nan 0.000 0.569 514 F N -1.650 118.382 119.950 0.136 0.000 2.825 514 F HA 0.457 4.983 4.527 -0.001 0.000 0.322 514 F C 0.128 175.953 175.800 0.042 0.000 1.127 514 F CA -0.643 57.403 58.000 0.077 0.000 1.164 514 F CB -0.773 38.267 39.000 0.066 0.000 1.101 514 F HN -0.179 nan 8.300 nan 0.000 0.529 515 T N -2.314 112.154 114.554 -0.144 0.000 2.865 515 T HA 0.355 4.705 4.350 -0.000 0.000 0.294 515 T C -1.156 173.506 174.700 -0.064 0.000 1.119 515 T CA -0.738 61.305 62.100 -0.095 0.000 1.007 515 T CB 2.255 71.010 68.868 -0.189 0.000 1.225 515 T HN 0.237 nan 8.240 nan 0.000 0.515 516 Q N 0.957 120.736 119.800 -0.036 0.000 2.294 516 Q HA 0.378 4.717 4.340 -0.000 0.000 0.257 516 Q C -0.976 174.996 176.000 -0.047 0.000 0.955 516 Q CA -0.819 54.968 55.803 -0.027 0.000 0.936 516 Q CB 0.761 29.495 28.738 -0.007 0.000 1.188 516 Q HN 0.634 nan 8.270 nan 0.000 0.420 517 L N 7.991 129.185 121.223 -0.049 0.000 2.565 517 L HA 0.233 4.573 4.340 -0.000 0.000 0.275 517 L C -2.093 174.755 176.870 -0.037 0.000 1.137 517 L CA -0.861 53.944 54.840 -0.058 0.000 0.915 517 L CB 0.146 42.174 42.059 -0.052 0.000 1.232 517 L HN 0.571 nan 8.230 nan 0.000 0.473 518 P HA 0.027 nan 4.420 nan 0.000 0.266 518 P C -0.677 176.610 177.300 -0.022 0.000 1.180 518 P CA 0.141 63.224 63.100 -0.028 0.000 0.765 518 P CB 0.352 32.033 31.700 -0.032 0.000 0.806 519 A N 2.746 125.557 122.820 -0.014 0.000 2.483 519 A HA 0.428 4.748 4.320 -0.000 0.000 0.238 519 A C 0.675 178.252 177.584 -0.011 0.000 1.070 519 A CA 0.151 52.182 52.037 -0.010 0.000 0.770 519 A CB -0.304 18.692 19.000 -0.006 0.000 1.008 519 A HN 0.676 nan 8.150 nan 0.000 0.497 520 A N 1.867 124.681 122.820 -0.009 0.000 2.483 520 A HA 0.441 4.761 4.320 -0.000 0.000 0.238 520 A C 0.776 178.356 177.584 -0.006 0.000 1.070 520 A CA 0.434 52.466 52.037 -0.008 0.000 0.770 520 A CB 0.005 19.003 19.000 -0.004 0.000 1.008 520 A HN 1.070 nan 8.150 nan 0.000 0.497 521 K N 0.000 120.396 120.400 -0.006 0.000 2.780 521 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 521 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 521 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 521 K HN 0.000 nan 8.250 nan 0.000 0.543