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 1e0d_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADYQGKNVVI IGLGLTGLSC VDFFLARGVT PRVMDTRMTP PGLDKLPEAV DATA SEQUENCE ERHTGSLNDE WLMAADLIVA SPGIALAHPS LSAAADAGIE IVGDIELFCR DATA SEQUENCE EAQAPIVAIT GSNGKSTVTT LVGEMAKAAG VNVGVGGNIG LPALMLLDDE DATA SEQUENCE CELYVLELSS FQLETTSSLQ AVAATILNVT EDXXXXXXFG LQQYRAAKLR DATA SEQUENCE IYENAKVCVV NADDALTMPI XXADERCVSF GVNMGDYHLN HQQGETWLRV DATA SEQUENCE KGEKVLNVKE MKLSGQHNYT NALAALALAD AAGLPRASSL KALTTFTGLP DATA SEQUENCE HRFEVVLEHN GVRWINDSKA TNVGSTEAAL NGLHVDGTLH LLLGGDGKSA DATA SEQUENCE DFSPLARYLN GDNVRLYCFG RDGAQLAALR PEVAEQTETM EQAMRLLAPR DATA SEQUENCE VQPGDMVLLS PACASLDQFK NFEQRGNEFA RLAKELG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.350 177.584 -0.390 0.000 1.274 1 A CA 0.000 51.886 52.037 -0.251 0.000 0.836 1 A CB 0.000 18.901 19.000 -0.166 0.000 0.831 2 D N -0.612 119.512 120.400 -0.461 0.000 2.344 2 D HA 0.642 5.282 4.640 0.001 0.000 0.239 2 D C -0.760 175.309 176.300 -0.384 0.000 1.064 2 D CA -0.232 53.590 54.000 -0.297 0.000 0.829 2 D CB 0.744 41.459 40.800 -0.142 0.000 1.129 2 D HN 0.288 nan 8.370 nan 0.000 0.506 3 Y N 1.355 121.723 120.300 0.115 0.000 2.584 3 Y HA 0.232 4.783 4.550 0.002 0.000 0.254 3 Y C 0.666 176.621 175.900 0.091 0.000 1.177 3 Y CA -0.566 57.628 58.100 0.156 0.000 1.216 3 Y CB 0.188 38.863 38.460 0.359 0.000 1.172 3 Y HN 0.266 nan 8.280 nan 0.000 0.529 4 Q N 0.779 120.667 119.800 0.146 0.000 2.283 4 Q HA 0.123 4.463 4.340 0.001 0.000 0.301 4 Q C 1.426 177.462 176.000 0.059 0.000 1.063 4 Q CA 1.322 57.179 55.803 0.090 0.000 0.952 4 Q CB 0.659 29.424 28.738 0.044 0.000 1.166 4 Q HN 0.749 nan 8.270 nan 0.000 0.381 5 G N 2.773 111.598 108.800 0.042 0.000 2.220 5 G HA2 -0.265 3.695 3.960 0.001 0.000 0.269 5 G HA3 -0.265 3.695 3.960 0.001 0.000 0.269 5 G C 0.161 175.067 174.900 0.010 0.000 0.977 5 G CA 0.291 45.400 45.100 0.015 0.000 0.634 5 G HN 0.443 nan 8.290 nan 0.000 0.539 6 K N 0.820 121.241 120.400 0.034 0.000 2.270 6 K HA 0.191 4.511 4.320 0.001 0.000 0.276 6 K C 0.093 176.665 176.600 -0.046 0.000 1.023 6 K CA -0.640 55.659 56.287 0.020 0.000 0.955 6 K CB 0.794 33.348 32.500 0.090 0.000 0.975 6 K HN 0.264 nan 8.250 nan 0.000 0.471 7 N N 2.699 121.360 118.700 -0.065 0.000 2.402 7 N HA 0.064 4.804 4.740 0.001 0.000 0.252 7 N C -1.046 174.374 175.510 -0.150 0.000 1.118 7 N CA -0.286 52.696 53.050 -0.114 0.000 0.945 7 N CB 0.425 38.856 38.487 -0.095 0.000 1.147 7 N HN 0.325 nan 8.380 nan 0.000 0.495 8 V N 2.734 122.503 119.914 -0.241 0.000 2.495 8 V HA 0.753 4.874 4.120 0.001 0.000 0.298 8 V C -0.230 175.695 176.094 -0.281 0.000 1.031 8 V CA -0.879 61.227 62.300 -0.324 0.000 0.871 8 V CB 1.266 32.682 31.823 -0.678 0.000 0.988 8 V HN 0.333 nan 8.190 nan 0.000 0.432 9 V N 4.203 124.009 119.914 -0.179 0.000 2.680 9 V HA 0.747 4.867 4.120 0.001 0.000 0.309 9 V C -0.484 175.576 176.094 -0.056 0.000 1.052 9 V CA -0.683 61.561 62.300 -0.094 0.000 0.908 9 V CB 1.633 33.461 31.823 0.009 0.000 1.001 9 V HN 0.902 nan 8.190 nan 0.000 0.431 10 I N 5.042 125.607 120.570 -0.008 0.000 2.377 10 I HA 0.506 4.677 4.170 0.001 0.000 0.293 10 I C -0.427 175.714 176.117 0.041 0.000 0.987 10 I CA -0.544 60.768 61.300 0.020 0.000 1.185 10 I CB 1.912 39.941 38.000 0.048 0.000 1.341 10 I HN 0.546 nan 8.210 nan 0.000 0.455 11 I N 5.323 125.904 120.570 0.018 0.000 2.330 11 I HA 0.644 4.814 4.170 0.001 0.000 0.289 11 I C 0.296 176.416 176.117 0.005 0.000 1.001 11 I CA -0.260 61.043 61.300 0.006 0.000 1.193 11 I CB 1.400 39.383 38.000 -0.028 0.000 1.345 11 I HN 0.803 nan 8.210 nan 0.000 0.461 12 G N 5.588 114.397 108.800 0.015 0.000 3.326 12 G HA2 -0.077 3.883 3.960 0.001 0.000 0.681 12 G HA3 -0.077 3.883 3.960 0.001 0.000 0.681 12 G C -0.741 174.175 174.900 0.026 0.000 1.255 12 G CA -0.912 44.194 45.100 0.010 0.000 0.976 12 G HN 0.573 nan 8.290 nan 0.000 0.563 13 L N 2.266 123.503 121.223 0.025 0.000 3.017 13 L HA 0.400 4.740 4.340 0.001 0.000 0.255 13 L C 1.652 178.536 176.870 0.023 0.000 1.247 13 L CA 0.397 55.256 54.840 0.031 0.000 1.038 13 L CB 0.037 42.116 42.059 0.034 0.000 1.380 13 L HN 0.785 nan 8.230 nan 0.000 0.548 14 G N -0.587 108.223 108.800 0.017 0.000 2.531 14 G HA2 0.123 4.083 3.960 0.001 0.000 0.253 14 G HA3 0.123 4.083 3.960 0.001 0.000 0.253 14 G C 0.577 175.487 174.900 0.018 0.000 1.439 14 G CA -0.478 44.631 45.100 0.015 0.000 1.056 14 G HN 0.037 nan 8.290 nan 0.000 0.555 15 L N -0.646 120.586 121.223 0.015 0.000 2.217 15 L HA 0.059 4.399 4.340 0.001 0.000 0.211 15 L C 2.922 179.800 176.870 0.013 0.000 1.107 15 L CA 2.220 57.069 54.840 0.016 0.000 0.783 15 L CB -0.507 41.561 42.059 0.014 0.000 0.919 15 L HN 0.532 nan 8.230 nan 0.000 0.442 16 T N -1.037 113.520 114.554 0.005 0.000 2.770 16 T HA -0.059 4.291 4.350 0.001 0.000 0.263 16 T C 1.699 176.402 174.700 0.005 0.000 1.039 16 T CA 1.117 63.214 62.100 -0.005 0.000 1.142 16 T CB -0.768 68.091 68.868 -0.014 0.000 0.868 16 T HN 0.527 nan 8.240 nan 0.000 0.435 17 G N 1.375 110.185 108.800 0.016 0.000 2.422 17 G HA2 -0.120 3.840 3.960 0.001 0.000 0.218 17 G HA3 -0.120 3.840 3.960 0.001 0.000 0.218 17 G C 1.438 176.369 174.900 0.052 0.000 1.146 17 G CA 0.408 45.529 45.100 0.034 0.000 0.769 17 G HN 0.291 nan 8.290 nan 0.000 0.547 18 L N 1.790 123.040 121.223 0.045 0.000 2.056 18 L HA -0.036 4.305 4.340 0.001 0.000 0.207 18 L C 3.272 180.179 176.870 0.063 0.000 1.078 18 L CA 2.016 56.889 54.840 0.054 0.000 0.749 18 L CB -0.943 41.142 42.059 0.043 0.000 0.901 18 L HN 0.421 nan 8.230 nan 0.000 0.433 19 S N -1.756 113.972 115.700 0.047 0.000 2.387 19 S HA -0.244 4.226 4.470 0.001 0.000 0.230 19 S C 2.195 176.839 174.600 0.073 0.000 1.035 19 S CA 1.549 59.779 58.200 0.051 0.000 1.014 19 S CB -1.125 62.087 63.200 0.020 0.000 0.836 19 S HN 0.486 nan 8.310 nan 0.000 0.466 20 C N 0.909 120.246 119.300 0.062 0.000 2.466 20 C HA 0.110 4.570 4.460 0.001 0.000 0.278 20 C C 2.779 177.921 174.990 0.254 0.000 1.288 20 C CA 0.421 59.498 59.018 0.098 0.000 1.722 20 C CB -1.463 26.344 27.740 0.113 0.000 2.017 20 C HN 0.536 nan 8.230 nan 0.000 0.488 21 V N 1.720 121.755 119.914 0.201 0.000 2.252 21 V HA -0.307 3.813 4.120 0.001 0.000 0.249 21 V C 2.470 178.677 176.094 0.189 0.000 1.056 21 V CA 2.608 65.030 62.300 0.204 0.000 1.022 21 V CB -0.791 31.105 31.823 0.122 0.000 0.641 21 V HN 0.627 nan 8.190 nan 0.000 0.445 22 D N -0.853 119.628 120.400 0.136 0.000 2.149 22 D HA -0.253 4.387 4.640 0.001 0.000 0.198 22 D C 2.109 178.465 176.300 0.095 0.000 0.990 22 D CA 1.662 55.723 54.000 0.102 0.000 0.839 22 D CB -0.046 40.803 40.800 0.083 0.000 0.948 22 D HN 0.458 nan 8.370 nan 0.000 0.460 23 F N 0.405 120.308 119.950 -0.078 0.000 2.102 23 F HA -0.181 4.346 4.527 0.001 0.000 0.298 23 F C 1.914 177.551 175.800 -0.272 0.000 1.105 23 F CA 1.481 59.348 58.000 -0.221 0.000 1.239 23 F CB -0.567 38.211 39.000 -0.371 0.000 0.991 23 F HN -0.135 nan 8.300 nan 0.000 0.474 24 F N 0.326 120.345 119.950 0.114 0.000 2.206 24 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 24 F C 2.184 177.952 175.800 -0.053 0.000 1.090 24 F CA 0.956 58.947 58.000 -0.016 0.000 1.323 24 F CB -0.875 38.146 39.000 0.035 0.000 1.028 24 F HN -0.071 nan 8.300 nan 0.000 0.492 25 L N -0.428 120.877 121.223 0.136 0.000 2.131 25 L HA -0.192 4.149 4.340 0.001 0.000 0.210 25 L C 2.581 179.451 176.870 0.001 0.000 1.092 25 L CA 1.064 55.942 54.840 0.064 0.000 0.759 25 L CB -0.997 41.095 42.059 0.054 0.000 0.903 25 L HN 0.149 nan 8.230 nan 0.000 0.435 26 A N 0.022 122.807 122.820 -0.059 0.000 2.121 26 A HA -0.107 4.214 4.320 0.001 0.000 0.218 26 A C 1.917 179.430 177.584 -0.120 0.000 1.154 26 A CA 0.959 52.937 52.037 -0.099 0.000 0.679 26 A CB -0.288 18.621 19.000 -0.153 0.000 0.795 26 A HN 0.381 nan 8.150 nan 0.000 0.458 27 R N -1.338 119.088 120.500 -0.122 0.000 2.633 27 R HA 0.321 4.661 4.340 0.001 0.000 0.348 27 R C 0.853 177.157 176.300 0.006 0.000 1.100 27 R CA 0.367 56.417 56.100 -0.083 0.000 1.068 27 R CB 0.121 30.340 30.300 -0.135 0.000 1.351 27 R HN 0.507 nan 8.270 nan 0.000 0.575 28 G N 0.692 109.498 108.800 0.010 0.000 2.198 28 G HA2 -0.252 3.709 3.960 0.001 0.000 0.260 28 G HA3 -0.252 3.709 3.960 0.001 0.000 0.260 28 G C -0.088 174.842 174.900 0.051 0.000 1.025 28 G CA 0.262 45.377 45.100 0.025 0.000 0.769 28 G HN 0.193 nan 8.290 nan 0.000 0.507 29 V N 0.239 120.206 119.914 0.087 0.000 2.531 29 V HA 0.598 4.719 4.120 0.001 0.000 0.301 29 V C 0.243 176.378 176.094 0.068 0.000 1.034 29 V CA -0.370 61.986 62.300 0.092 0.000 0.865 29 V CB 2.114 34.046 31.823 0.181 0.000 0.995 29 V HN 0.253 nan 8.190 nan 0.000 0.424 30 T N 7.383 121.935 114.554 -0.003 0.000 2.910 30 T HA 0.373 4.723 4.350 0.001 0.000 0.323 30 T C -2.082 172.563 174.700 -0.091 0.000 1.091 30 T CA -0.749 61.336 62.100 -0.025 0.000 0.960 30 T CB 0.944 69.788 68.868 -0.039 0.000 1.024 30 T HN 0.550 nan 8.240 nan 0.000 0.509 31 P HA 0.397 nan 4.420 nan 0.000 0.279 31 P C -0.298 176.904 177.300 -0.164 0.000 1.276 31 P CA -0.818 62.163 63.100 -0.198 0.000 0.801 31 P CB 1.414 32.980 31.700 -0.223 0.000 1.127 32 R N -0.606 119.771 120.500 -0.205 0.000 2.758 32 R HA 0.706 5.046 4.340 0.001 0.000 0.265 32 R C -0.818 175.490 176.300 0.014 0.000 1.016 32 R CA -1.038 54.930 56.100 -0.219 0.000 1.040 32 R CB 1.597 31.543 30.300 -0.591 0.000 1.152 32 R HN 0.271 nan 8.270 nan 0.000 0.503 33 V N 2.689 122.721 119.914 0.197 0.000 2.888 33 V HA 0.499 4.620 4.120 0.001 0.000 0.309 33 V C -0.400 175.884 176.094 0.317 0.000 1.114 33 V CA -0.835 61.593 62.300 0.214 0.000 0.940 33 V CB 2.027 33.932 31.823 0.137 0.000 1.021 33 V HN 0.798 nan 8.190 nan 0.000 0.426 34 M N 1.526 121.243 119.600 0.196 0.000 2.618 34 M HA 0.806 5.286 4.480 0.001 0.000 0.281 34 M C -2.003 174.339 176.300 0.069 0.000 1.267 34 M CA -0.516 54.868 55.300 0.139 0.000 0.845 34 M CB 3.022 35.665 32.600 0.071 0.000 1.732 34 M HN 0.619 nan 8.290 nan 0.000 0.461 35 D N 0.540 120.970 120.400 0.051 0.000 2.927 35 D HA 0.205 4.845 4.640 0.001 0.000 0.219 35 D C 0.286 176.597 176.300 0.019 0.000 1.248 35 D CA 0.038 54.053 54.000 0.024 0.000 0.861 35 D CB 2.733 43.546 40.800 0.022 0.000 1.677 35 D HN 0.914 nan 8.370 nan 0.000 0.511 36 T N 0.911 115.473 114.554 0.014 0.000 2.788 36 T HA -0.029 4.321 4.350 0.001 0.000 0.268 36 T C 1.144 175.851 174.700 0.012 0.000 1.044 36 T CA 0.526 62.641 62.100 0.025 0.000 1.139 36 T CB -0.038 68.859 68.868 0.048 0.000 0.867 36 T HN 0.282 nan 8.240 nan 0.000 0.454 37 R N 0.515 121.019 120.500 0.006 0.000 2.640 37 R HA 0.184 4.524 4.340 0.001 0.000 0.270 37 R C 1.329 177.620 176.300 -0.015 0.000 1.024 37 R CA -0.124 55.974 56.100 -0.002 0.000 1.085 37 R CB 0.210 30.510 30.300 0.000 0.000 0.963 37 R HN 0.172 nan 8.270 nan 0.000 0.426 38 M N 1.048 120.636 119.600 -0.020 0.000 2.254 38 M HA -0.041 4.439 4.480 0.001 0.000 0.265 38 M C 0.130 176.412 176.300 -0.029 0.000 1.066 38 M CA 1.837 57.116 55.300 -0.034 0.000 1.123 38 M CB 0.578 33.160 32.600 -0.031 0.000 1.388 38 M HN 0.463 nan 8.290 nan 0.000 0.425 39 T N 3.260 117.804 114.554 -0.017 0.000 3.241 39 T HA 0.409 4.759 4.350 0.001 0.000 0.387 39 T C -2.617 172.081 174.700 -0.004 0.000 1.451 39 T CA -1.197 60.896 62.100 -0.011 0.000 1.363 39 T CB 0.690 69.553 68.868 -0.009 0.000 1.074 39 T HN 0.203 nan 8.240 nan 0.000 0.598 40 P HA 0.270 nan 4.420 nan 0.000 0.275 40 P C -2.210 175.095 177.300 0.008 0.000 1.228 40 P CA -1.414 61.689 63.100 0.006 0.000 0.786 40 P CB 1.111 32.817 31.700 0.011 0.000 0.927 41 P HA -0.167 nan 4.420 nan 0.000 0.215 41 P C 1.646 178.955 177.300 0.014 0.000 1.157 41 P CA 1.988 65.094 63.100 0.010 0.000 0.874 41 P CB -0.464 31.242 31.700 0.010 0.000 0.790 42 G N -0.587 108.224 108.800 0.018 0.000 2.509 42 G HA2 -0.208 3.752 3.960 0.001 0.000 0.218 42 G HA3 -0.208 3.752 3.960 0.001 0.000 0.218 42 G C 1.404 176.320 174.900 0.026 0.000 1.124 42 G CA 0.110 45.224 45.100 0.023 0.000 0.776 42 G HN 0.194 nan 8.290 nan 0.000 0.547 43 L N 1.038 122.275 121.223 0.024 0.000 2.089 43 L HA -0.128 4.213 4.340 0.001 0.000 0.213 43 L C 1.962 178.846 176.870 0.025 0.000 1.079 43 L CA 1.974 56.830 54.840 0.026 0.000 0.758 43 L CB -0.387 41.683 42.059 0.018 0.000 0.891 43 L HN 0.075 nan 8.230 nan 0.000 0.433 44 D N -0.394 120.018 120.400 0.020 0.000 2.311 44 D HA -0.163 4.477 4.640 0.001 0.000 0.212 44 D C 1.703 178.015 176.300 0.021 0.000 0.972 44 D CA 1.075 55.085 54.000 0.018 0.000 0.887 44 D CB 0.083 40.892 40.800 0.014 0.000 0.915 44 D HN 0.476 nan 8.370 nan 0.000 0.497 45 K N -0.760 119.654 120.400 0.025 0.000 2.374 45 K HA 0.133 4.454 4.320 0.001 0.000 0.202 45 K C 0.138 176.757 176.600 0.031 0.000 1.040 45 K CA -0.538 55.764 56.287 0.026 0.000 1.085 45 K CB 1.042 33.558 32.500 0.027 0.000 0.873 45 K HN -0.063 nan 8.250 nan 0.000 0.539 46 L N 2.520 123.763 121.223 0.034 0.000 2.461 46 L HA 0.155 4.495 4.340 0.001 0.000 0.272 46 L C -2.332 174.558 176.870 0.034 0.000 1.197 46 L CA -1.914 52.950 54.840 0.040 0.000 0.836 46 L CB 0.075 42.161 42.059 0.045 0.000 1.105 46 L HN -0.056 nan 8.230 nan 0.000 0.477 47 P HA 0.179 nan 4.420 nan 0.000 0.279 47 P C -0.016 177.300 177.300 0.027 0.000 1.239 47 P CA -0.461 62.656 63.100 0.028 0.000 0.789 47 P CB 0.554 32.270 31.700 0.028 0.000 0.933 48 E N 2.183 122.397 120.200 0.023 0.000 2.265 48 E HA -0.186 4.165 4.350 0.001 0.000 0.196 48 E C 1.436 178.048 176.600 0.020 0.000 0.996 48 E CA 1.357 57.771 56.400 0.023 0.000 0.832 48 E CB -1.164 28.548 29.700 0.019 0.000 0.756 48 E HN 0.480 nan 8.360 nan 0.000 0.491 49 A N 1.916 124.745 122.820 0.014 0.000 2.121 49 A HA 0.014 4.334 4.320 0.001 0.000 0.218 49 A C 1.508 179.091 177.584 -0.002 0.000 1.154 49 A CA 0.864 52.904 52.037 0.005 0.000 0.679 49 A CB -0.463 18.539 19.000 0.002 0.000 0.795 49 A HN 0.220 nan 8.150 nan 0.000 0.458 50 V N -0.737 119.182 119.914 0.009 0.000 2.439 50 V HA 0.474 4.595 4.120 0.001 0.000 0.282 50 V C -0.551 175.554 176.094 0.019 0.000 1.039 50 V CA -1.073 61.225 62.300 -0.002 0.000 0.913 50 V CB 1.050 32.881 31.823 0.013 0.000 0.983 50 V HN 0.441 nan 8.190 nan 0.000 0.460 51 E N 5.975 126.164 120.200 -0.020 0.000 2.354 51 E HA 0.488 4.838 4.350 0.001 0.000 0.269 51 E C -0.291 176.446 176.600 0.228 0.000 1.036 51 E CA -0.535 55.904 56.400 0.065 0.000 0.876 51 E CB 0.749 30.399 29.700 -0.083 0.000 1.009 51 E HN 0.826 nan 8.360 nan 0.000 0.416 52 R N 2.060 122.785 120.500 0.376 0.000 2.808 52 R HA 0.540 4.881 4.340 0.001 0.000 0.272 52 R C -1.488 175.025 176.300 0.355 0.000 0.995 52 R CA -0.981 55.349 56.100 0.383 0.000 0.917 52 R CB 1.291 31.701 30.300 0.184 0.000 1.217 52 R HN 0.746 nan 8.270 nan 0.000 0.471 53 H N 0.314 119.422 119.070 0.064 0.000 2.934 53 H HA 0.428 4.985 4.556 0.001 0.000 0.340 53 H C -1.281 173.977 175.328 -0.118 0.000 1.008 53 H CA -0.133 55.801 56.048 -0.191 0.000 1.317 53 H CB 1.671 31.028 29.762 -0.675 0.000 1.670 53 H HN 0.942 nan 8.280 nan 0.000 0.516 54 T N 1.393 115.770 114.554 -0.296 0.000 2.924 54 T HA 0.566 4.916 4.350 0.001 0.000 0.291 54 T C 0.990 175.567 174.700 -0.205 0.000 1.045 54 T CA -0.307 61.702 62.100 -0.153 0.000 1.015 54 T CB 1.745 70.556 68.868 -0.094 0.000 1.103 54 T HN 1.081 nan 8.240 nan 0.000 0.496 55 G N 0.531 109.281 108.800 -0.084 0.000 2.217 55 G HA2 -0.003 3.957 3.960 0.001 0.000 0.246 55 G HA3 -0.003 3.957 3.960 0.001 0.000 0.246 55 G C 0.243 175.133 174.900 -0.016 0.000 0.990 55 G CA 0.531 45.592 45.100 -0.066 0.000 0.627 55 G HN 2.155 nan 8.290 nan 0.000 0.522 56 S N -1.626 114.094 115.700 0.032 0.000 2.660 56 S HA 0.635 5.105 4.470 0.001 0.000 0.264 56 S C -1.063 173.588 174.600 0.085 0.000 1.131 56 S CA -0.876 57.373 58.200 0.081 0.000 0.846 56 S CB 1.266 64.525 63.200 0.099 0.000 1.151 56 S HN 0.870 nan 8.310 nan 0.000 0.486 57 L N 2.227 123.432 121.223 -0.030 0.000 2.272 57 L HA 0.490 4.830 4.340 0.001 0.000 0.289 57 L C 0.011 176.678 176.870 -0.339 0.000 1.032 57 L CA -0.750 53.980 54.840 -0.184 0.000 0.810 57 L CB 1.083 42.954 42.059 -0.313 0.000 1.205 57 L HN 0.740 nan 8.230 nan 0.000 0.422 58 N N 3.276 121.560 118.700 -0.692 0.000 2.421 58 N HA -0.041 4.699 4.740 0.001 0.000 0.260 58 N C 0.570 175.823 175.510 -0.429 0.000 1.173 58 N CA 0.072 52.544 53.050 -0.964 0.000 0.960 58 N CB 0.666 38.049 38.487 -1.839 0.000 1.273 58 N HN 0.551 nan 8.380 nan 0.000 0.497 59 D N 1.975 122.222 120.400 -0.255 0.000 2.149 59 D HA -0.201 4.439 4.640 0.001 0.000 0.198 59 D C 1.236 177.506 176.300 -0.050 0.000 0.990 59 D CA 0.954 54.886 54.000 -0.113 0.000 0.839 59 D CB 0.354 41.116 40.800 -0.063 0.000 0.948 59 D HN 0.673 nan 8.370 nan 0.000 0.460 60 E N 0.359 120.524 120.200 -0.059 0.000 2.058 60 E HA -0.188 4.162 4.350 0.001 0.000 0.194 60 E C 2.059 178.766 176.600 0.179 0.000 0.997 60 E CA 1.007 57.436 56.400 0.048 0.000 0.801 60 E CB -0.148 29.583 29.700 0.052 0.000 0.746 60 E HN 0.329 nan 8.360 nan 0.000 0.450 61 W N 1.062 122.296 121.300 -0.109 0.000 2.358 61 W HA -0.090 4.571 4.660 0.002 0.000 0.303 61 W C 2.474 178.938 176.519 -0.091 0.000 1.208 61 W CA 0.564 57.848 57.345 -0.102 0.000 1.274 61 W CB -1.091 28.291 29.460 -0.130 0.000 1.138 61 W HN 0.116 nan 8.180 nan 0.000 0.515 62 L N -0.740 120.562 121.223 0.131 0.000 1.994 62 L HA -0.256 4.084 4.340 0.001 0.000 0.208 62 L C 2.380 179.271 176.870 0.035 0.000 1.071 62 L CA 1.009 55.879 54.840 0.050 0.000 0.745 62 L CB -0.877 41.178 42.059 -0.007 0.000 0.892 62 L HN -0.117 nan 8.230 nan 0.000 0.431 63 M N -0.547 119.073 119.600 0.033 0.000 2.358 63 M HA -0.112 4.368 4.480 0.001 0.000 0.264 63 M C 2.085 178.399 176.300 0.023 0.000 1.064 63 M CA 1.329 56.643 55.300 0.024 0.000 1.093 63 M CB -1.382 31.230 32.600 0.021 0.000 1.401 63 M HN 0.253 nan 8.290 nan 0.000 0.440 64 A N -0.623 122.216 122.820 0.031 0.000 2.308 64 A HA 0.554 4.874 4.320 0.001 0.000 0.217 64 A C 1.206 178.783 177.584 -0.012 0.000 1.216 64 A CA 0.312 52.356 52.037 0.012 0.000 0.864 64 A CB -0.380 18.631 19.000 0.018 0.000 0.902 64 A HN 0.344 nan 8.150 nan 0.000 0.499 65 A N -0.234 122.580 122.820 -0.009 0.000 2.332 65 A HA 0.458 4.778 4.320 0.001 0.000 0.258 65 A C 0.427 177.997 177.584 -0.023 0.000 1.087 65 A CA -0.030 51.987 52.037 -0.033 0.000 0.802 65 A CB 0.343 19.323 19.000 -0.033 0.000 1.042 65 A HN 0.247 nan 8.150 nan 0.000 0.489 66 D N -0.888 119.493 120.400 -0.031 0.000 2.324 66 D HA 0.163 4.804 4.640 0.001 0.000 0.212 66 D C -0.363 175.942 176.300 0.008 0.000 0.984 66 D CA 0.810 54.806 54.000 -0.005 0.000 0.885 66 D CB 0.391 41.192 40.800 0.001 0.000 0.996 66 D HN 0.270 nan 8.370 nan 0.000 0.505 67 L N 0.815 122.026 121.223 -0.019 0.000 2.464 67 L HA 0.446 4.786 4.340 0.001 0.000 0.266 67 L C -1.686 175.154 176.870 -0.050 0.000 0.965 67 L CA -0.548 54.287 54.840 -0.007 0.000 0.833 67 L CB 2.307 44.377 42.059 0.018 0.000 1.296 67 L HN -0.224 nan 8.230 nan 0.000 0.405 68 I N 5.467 126.025 120.570 -0.020 0.000 2.382 68 I HA 0.419 4.589 4.170 0.001 0.000 0.286 68 I C -0.821 175.290 176.117 -0.010 0.000 1.002 68 I CA -0.883 60.403 61.300 -0.024 0.000 1.135 68 I CB 1.931 39.924 38.000 -0.010 0.000 1.288 68 I HN 0.237 nan 8.210 nan 0.000 0.448 69 V N 6.150 126.056 119.914 -0.013 0.000 2.333 69 V HA 0.544 4.664 4.120 0.001 0.000 0.274 69 V C 0.518 176.614 176.094 0.003 0.000 1.028 69 V CA -0.432 61.876 62.300 0.013 0.000 0.851 69 V CB 1.140 32.999 31.823 0.060 0.000 1.000 69 V HN 0.801 nan 8.190 nan 0.000 0.456 70 A N 4.069 126.888 122.820 -0.003 0.000 2.312 70 A HA 0.743 5.063 4.320 0.001 0.000 0.326 70 A C 0.322 177.894 177.584 -0.020 0.000 1.172 70 A CA -0.390 51.638 52.037 -0.015 0.000 0.821 70 A CB 0.896 19.885 19.000 -0.018 0.000 1.166 70 A HN 0.677 nan 8.150 nan 0.000 0.493 71 S N 2.954 118.635 115.700 -0.031 0.000 2.545 71 S HA 0.467 4.938 4.470 0.001 0.000 0.275 71 S C -2.362 172.195 174.600 -0.071 0.000 1.299 71 S CA -0.707 57.470 58.200 -0.038 0.000 1.048 71 S CB 0.422 63.602 63.200 -0.033 0.000 0.938 71 S HN 0.618 nan 8.310 nan 0.000 0.496 72 P HA 0.439 nan 4.420 nan 0.000 0.267 72 P C 0.304 177.428 177.300 -0.294 0.000 1.200 72 P CA 0.278 63.336 63.100 -0.071 0.000 0.772 72 P CB 0.271 32.017 31.700 0.077 0.000 0.855 73 G N 0.643 108.887 108.800 -0.927 0.000 2.369 73 G HA2 -0.032 3.928 3.960 0.001 0.000 0.307 73 G HA3 -0.032 3.928 3.960 0.001 0.000 0.307 73 G C 0.422 174.473 174.900 -1.415 0.000 1.327 73 G CA -0.613 43.749 45.100 -1.230 0.000 0.963 73 G HN 0.344 nan 8.290 nan 0.000 0.590 74 I N 1.016 121.182 120.570 -0.673 0.000 2.530 74 I HA -0.158 4.013 4.170 0.001 0.000 0.257 74 I C 3.055 179.147 176.117 -0.041 0.000 1.179 74 I CA 1.681 62.923 61.300 -0.096 0.000 1.440 74 I CB -0.513 37.562 38.000 0.124 0.000 1.087 74 I HN 0.670 nan 8.210 nan 0.000 0.440 75 A N 1.458 124.208 122.820 -0.116 0.000 2.042 75 A HA -0.193 4.127 4.320 0.001 0.000 0.222 75 A C 2.293 179.880 177.584 0.005 0.000 1.167 75 A CA 1.463 53.490 52.037 -0.016 0.000 0.649 75 A CB -0.880 18.087 19.000 -0.054 0.000 0.809 75 A HN 0.479 nan 8.150 nan 0.000 0.457 76 L N -1.471 119.708 121.223 -0.073 0.000 2.349 76 L HA -0.183 4.157 4.340 0.001 0.000 0.220 76 L C 2.579 179.475 176.870 0.044 0.000 1.130 76 L CA 0.813 55.646 54.840 -0.012 0.000 0.791 76 L CB -0.260 41.802 42.059 0.005 0.000 0.918 76 L HN 0.482 nan 8.230 nan 0.000 0.444 77 A N -2.226 120.646 122.820 0.086 0.000 2.303 77 A HA -0.018 4.303 4.320 0.001 0.000 0.217 77 A C 0.706 178.365 177.584 0.125 0.000 1.205 77 A CA -0.291 51.801 52.037 0.092 0.000 0.875 77 A CB -0.517 18.574 19.000 0.153 0.000 0.910 77 A HN 0.414 nan 8.150 nan 0.000 0.501 78 H N 0.866 119.956 119.070 0.033 0.000 3.094 78 H HA 0.079 4.634 4.556 -0.001 0.000 0.320 78 H C -1.637 173.701 175.328 0.017 0.000 1.000 78 H CA -0.577 55.486 56.048 0.024 0.000 1.413 78 H CB 0.936 30.703 29.762 0.008 0.000 1.405 78 H HN 0.060 nan 8.280 nan 0.000 0.586 79 P HA -0.163 nan 4.420 nan 0.000 0.218 79 P C 1.223 178.654 177.300 0.219 0.000 1.148 79 P CA 1.441 64.614 63.100 0.121 0.000 0.822 79 P CB 0.290 31.995 31.700 0.009 0.000 0.784 80 S N -0.525 115.451 115.700 0.460 0.000 2.356 80 S HA -0.131 4.339 4.470 0.001 0.000 0.223 80 S C 1.842 176.476 174.600 0.057 0.000 1.032 80 S CA 0.952 59.247 58.200 0.159 0.000 1.005 80 S CB -1.174 62.015 63.200 -0.018 0.000 0.867 80 S HN 0.131 nan 8.310 nan 0.000 0.449 81 L N 1.091 122.338 121.223 0.040 0.000 2.042 81 L HA -0.139 4.201 4.340 0.001 0.000 0.210 81 L C 2.714 179.605 176.870 0.034 0.000 1.076 81 L CA 1.409 56.257 54.840 0.012 0.000 0.749 81 L CB -0.516 41.550 42.059 0.011 0.000 0.893 81 L HN 0.373 nan 8.230 nan 0.000 0.432 82 S N -0.665 115.069 115.700 0.057 0.000 2.382 82 S HA -0.166 4.304 4.470 0.001 0.000 0.228 82 S C 2.004 176.624 174.600 0.033 0.000 1.027 82 S CA 1.215 59.440 58.200 0.041 0.000 0.991 82 S CB -0.018 63.208 63.200 0.044 0.000 0.823 82 S HN 0.513 nan 8.310 nan 0.000 0.469 83 A N 0.959 123.802 122.820 0.038 0.000 1.929 83 A HA 0.338 4.658 4.320 0.001 0.000 0.216 83 A C 2.410 180.006 177.584 0.020 0.000 1.176 83 A CA 1.532 53.586 52.037 0.028 0.000 0.628 83 A CB -1.163 17.855 19.000 0.031 0.000 0.816 83 A HN 0.714 nan 8.150 nan 0.000 0.444 84 A N -0.076 122.754 122.820 0.018 0.000 1.930 84 A HA 0.208 4.528 4.320 0.001 0.000 0.217 84 A C 2.448 180.040 177.584 0.014 0.000 1.175 84 A CA 1.860 53.905 52.037 0.012 0.000 0.627 84 A CB -0.844 18.160 19.000 0.006 0.000 0.815 84 A HN 0.949 nan 8.150 nan 0.000 0.443 85 A N 0.136 122.965 122.820 0.016 0.000 1.898 85 A HA -0.123 4.197 4.320 0.001 0.000 0.216 85 A C 1.643 179.236 177.584 0.015 0.000 1.181 85 A CA 1.809 53.855 52.037 0.015 0.000 0.620 85 A CB -0.552 18.458 19.000 0.016 0.000 0.819 85 A HN 0.422 nan 8.150 nan 0.000 0.442 86 D N -0.035 120.374 120.400 0.016 0.000 2.310 86 D HA 0.090 4.730 4.640 0.001 0.000 0.212 86 D C 1.717 178.024 176.300 0.013 0.000 0.965 86 D CA 1.124 55.133 54.000 0.014 0.000 0.879 86 D CB -0.131 40.678 40.800 0.015 0.000 0.921 86 D HN 0.441 nan 8.370 nan 0.000 0.510 87 A N -0.416 122.412 122.820 0.013 0.000 2.251 87 A HA 0.465 4.785 4.320 0.001 0.000 0.209 87 A C 1.734 179.325 177.584 0.012 0.000 1.187 87 A CA 0.746 52.790 52.037 0.012 0.000 0.823 87 A CB -0.222 18.785 19.000 0.012 0.000 0.846 87 A HN 0.203 nan 8.150 nan 0.000 0.486 88 G N -0.656 108.152 108.800 0.013 0.000 2.137 88 G HA2 -0.211 3.749 3.960 0.001 0.000 0.237 88 G HA3 -0.211 3.749 3.960 0.001 0.000 0.237 88 G C 0.034 174.943 174.900 0.015 0.000 1.002 88 G CA 0.218 45.327 45.100 0.014 0.000 0.702 88 G HN 0.447 nan 8.290 nan 0.000 0.515 89 I N 0.867 121.446 120.570 0.014 0.000 2.441 89 I HA 0.218 4.388 4.170 0.001 0.000 0.287 89 I C 0.976 177.104 176.117 0.019 0.000 1.049 89 I CA -0.423 60.886 61.300 0.015 0.000 1.381 89 I CB 1.176 39.183 38.000 0.011 0.000 1.409 89 I HN 0.250 nan 8.210 nan 0.000 0.523 90 E N 6.895 127.111 120.200 0.026 0.000 2.351 90 E HA 0.202 4.553 4.350 0.001 0.000 0.266 90 E C -0.976 175.644 176.600 0.034 0.000 1.031 90 E CA -0.079 56.343 56.400 0.036 0.000 0.911 90 E CB 0.580 30.313 29.700 0.055 0.000 0.986 90 E HN 0.399 nan 8.360 nan 0.000 0.446 91 I N 5.918 126.507 120.570 0.031 0.000 2.406 91 I HA 0.317 4.487 4.170 0.001 0.000 0.290 91 I C -0.185 175.952 176.117 0.033 0.000 0.999 91 I CA -0.797 60.519 61.300 0.026 0.000 1.124 91 I CB 1.468 39.479 38.000 0.018 0.000 1.289 91 I HN 0.356 nan 8.210 nan 0.000 0.441 92 V N 2.502 122.436 119.914 0.033 0.000 3.182 92 V HA 1.004 5.125 4.120 0.001 0.000 0.308 92 V C -0.279 175.825 176.094 0.016 0.000 1.240 92 V CA -0.531 61.789 62.300 0.033 0.000 1.063 92 V CB 1.555 33.411 31.823 0.056 0.000 1.076 92 V HN 0.730 nan 8.190 nan 0.000 0.446 93 G N -0.138 108.665 108.800 0.004 0.000 2.685 93 G HA2 0.520 4.481 3.960 0.001 0.000 0.298 93 G HA3 0.520 4.481 3.960 0.001 0.000 0.298 93 G C 0.187 175.057 174.900 -0.050 0.000 1.277 93 G CA 0.236 45.328 45.100 -0.013 0.000 0.986 93 G HN 1.017 nan 8.290 nan 0.000 0.487 94 D N -0.348 120.007 120.400 -0.075 0.000 2.123 94 D HA -0.174 4.467 4.640 0.001 0.000 0.196 94 D C 2.084 178.321 176.300 -0.106 0.000 0.992 94 D CA 0.866 54.782 54.000 -0.140 0.000 0.833 94 D CB -0.103 40.622 40.800 -0.125 0.000 0.954 94 D HN 0.133 nan 8.370 nan 0.000 0.455 95 I N 1.401 121.934 120.570 -0.062 0.000 2.264 95 I HA -0.202 3.968 4.170 0.001 0.000 0.248 95 I C 2.452 178.594 176.117 0.042 0.000 1.111 95 I CA 0.980 62.268 61.300 -0.019 0.000 1.382 95 I CB -0.997 36.980 38.000 -0.039 0.000 1.060 95 I HN 0.063 nan 8.210 nan 0.000 0.418 96 E N 0.580 120.784 120.200 0.005 0.000 2.106 96 E HA -0.146 4.205 4.350 0.001 0.000 0.192 96 E C 2.183 178.786 176.600 0.005 0.000 0.984 96 E CA 1.281 57.694 56.400 0.021 0.000 0.806 96 E CB -0.326 29.389 29.700 0.025 0.000 0.750 96 E HN 0.481 nan 8.360 nan 0.000 0.458 97 L N -0.342 120.831 121.223 -0.084 0.000 2.093 97 L HA -0.049 4.292 4.340 0.001 0.000 0.208 97 L C 2.287 179.053 176.870 -0.173 0.000 1.085 97 L CA 1.050 55.767 54.840 -0.205 0.000 0.755 97 L CB -0.526 41.117 42.059 -0.693 0.000 0.904 97 L HN 0.176 nan 8.230 nan 0.000 0.435 98 F N 0.522 120.307 119.950 -0.274 0.000 2.075 98 F HA -0.278 4.250 4.527 0.002 0.000 0.297 98 F C 2.544 178.268 175.800 -0.127 0.000 1.113 98 F CA 1.692 59.568 58.000 -0.206 0.000 1.218 98 F CB -0.458 38.407 39.000 -0.225 0.000 0.984 98 F HN 0.048 nan 8.300 nan 0.000 0.472 99 C N 0.771 120.071 119.300 0.000 0.000 2.425 99 C HA -0.135 4.325 4.460 0.001 0.000 0.277 99 C C 2.660 177.579 174.990 -0.118 0.000 1.280 99 C CA 1.068 60.040 59.018 -0.077 0.000 1.744 99 C CB -1.473 26.298 27.740 0.051 0.000 1.989 99 C HN 0.439 nan 8.230 nan 0.000 0.491 100 R N 0.733 121.202 120.500 -0.051 0.000 2.193 100 R HA -0.083 4.258 4.340 0.001 0.000 0.229 100 R C 1.754 178.029 176.300 -0.043 0.000 1.110 100 R CA 0.937 57.029 56.100 -0.014 0.000 0.988 100 R CB -0.109 30.230 30.300 0.065 0.000 0.871 100 R HN 0.567 nan 8.270 nan 0.000 0.458 101 E N -0.057 120.076 120.200 -0.112 0.000 2.389 101 E HA 0.157 4.507 4.350 0.001 0.000 0.199 101 E C 0.154 176.616 176.600 -0.231 0.000 0.978 101 E CA 0.128 56.463 56.400 -0.108 0.000 0.912 101 E CB 0.416 30.122 29.700 0.010 0.000 0.907 101 E HN 0.184 nan 8.360 nan 0.000 0.494 102 A N 2.085 124.631 122.820 -0.458 0.000 2.524 102 A HA 0.053 4.373 4.320 0.001 0.000 0.250 102 A C 0.751 178.276 177.584 -0.099 0.000 1.078 102 A CA 0.079 51.856 52.037 -0.433 0.000 0.761 102 A CB 0.245 18.788 19.000 -0.763 0.000 1.012 102 A HN -0.100 nan 8.150 nan 0.000 0.500 103 Q N 0.374 120.194 119.800 0.032 0.000 2.204 103 Q HA 0.394 4.734 4.340 0.001 0.000 0.209 103 Q C 0.125 176.179 176.000 0.090 0.000 0.861 103 Q CA 0.723 56.557 55.803 0.052 0.000 0.971 103 Q CB 0.221 28.981 28.738 0.037 0.000 1.095 103 Q HN 0.827 nan 8.270 nan 0.000 0.486 104 A N 0.873 123.802 122.820 0.181 0.000 2.527 104 A HA 0.778 5.098 4.320 0.001 0.000 0.293 104 A C -2.685 175.012 177.584 0.188 0.000 1.117 104 A CA -1.634 50.474 52.037 0.119 0.000 0.723 104 A CB 1.033 20.004 19.000 -0.047 0.000 1.313 104 A HN -0.069 nan 8.150 nan 0.000 0.411 105 P HA 0.448 nan 4.420 nan 0.000 0.271 105 P C -1.015 176.411 177.300 0.209 0.000 1.218 105 P CA 0.205 63.382 63.100 0.129 0.000 0.780 105 P CB 0.375 32.117 31.700 0.069 0.000 0.901 106 I N 1.522 122.211 120.570 0.198 0.000 2.433 106 I HA 0.297 4.468 4.170 0.001 0.000 0.292 106 I C -0.457 175.735 176.117 0.125 0.000 1.001 106 I CA -1.079 60.352 61.300 0.219 0.000 1.119 106 I CB 1.970 40.105 38.000 0.224 0.000 1.289 106 I HN -0.054 nan 8.210 nan 0.000 0.438 107 V N 5.510 125.486 119.914 0.103 0.000 2.350 107 V HA 0.608 4.728 4.120 0.001 0.000 0.276 107 V C 0.330 176.446 176.094 0.037 0.000 1.028 107 V CA -0.387 61.945 62.300 0.054 0.000 0.860 107 V CB 1.285 33.125 31.823 0.029 0.000 0.990 107 V HN 0.841 nan 8.190 nan 0.000 0.453 108 A N 6.972 129.804 122.820 0.019 0.000 2.318 108 A HA 0.909 5.229 4.320 0.001 0.000 0.324 108 A C -0.740 176.821 177.584 -0.039 0.000 1.170 108 A CA -0.494 51.535 52.037 -0.013 0.000 0.810 108 A CB 0.713 19.701 19.000 -0.018 0.000 1.198 108 A HN 0.765 nan 8.150 nan 0.000 0.484 109 I N 1.374 121.914 120.570 -0.051 0.000 2.533 109 I HA 0.536 4.707 4.170 0.001 0.000 0.290 109 I C -0.113 175.966 176.117 -0.063 0.000 1.056 109 I CA -0.262 61.005 61.300 -0.055 0.000 1.057 109 I CB 2.593 40.565 38.000 -0.046 0.000 1.240 109 I HN 0.638 nan 8.210 nan 0.000 0.423 110 T N 3.390 117.900 114.554 -0.073 0.000 2.900 110 T HA 0.894 5.244 4.350 0.001 0.000 0.303 110 T C -0.732 173.945 174.700 -0.039 0.000 1.142 110 T CA -0.406 61.648 62.100 -0.076 0.000 1.007 110 T CB 2.030 70.814 68.868 -0.140 0.000 1.156 110 T HN 1.004 nan 8.240 nan 0.000 0.490 111 G N 0.756 109.547 108.800 -0.014 0.000 2.328 111 G HA2 0.414 4.375 3.960 0.001 0.000 0.295 111 G HA3 0.414 4.375 3.960 0.001 0.000 0.295 111 G C 0.119 175.064 174.900 0.075 0.000 1.413 111 G CA 0.050 45.173 45.100 0.038 0.000 0.817 111 G HN 0.616 nan 8.290 nan 0.000 0.546 112 S N -0.620 115.150 115.700 0.116 0.000 2.492 112 S HA 0.233 4.704 4.470 0.001 0.000 0.218 112 S C 0.577 175.238 174.600 0.100 0.000 1.016 112 S CA 0.435 58.717 58.200 0.137 0.000 0.916 112 S CB 0.033 63.331 63.200 0.163 0.000 0.791 112 S HN 0.530 nan 8.310 nan 0.000 0.513 113 N N -1.157 117.605 118.700 0.103 0.000 2.264 113 N HA 0.526 5.266 4.740 0.001 0.000 0.288 113 N C 0.332 175.933 175.510 0.152 0.000 1.094 113 N CA 0.128 53.239 53.050 0.103 0.000 0.817 113 N CB 1.973 40.505 38.487 0.074 0.000 1.604 113 N HN 0.061 nan 8.380 nan 0.000 0.473 114 G N 0.438 109.339 108.800 0.169 0.000 2.234 114 G HA2 -0.392 3.569 3.960 0.001 0.000 0.260 114 G HA3 -0.392 3.569 3.960 0.001 0.000 0.260 114 G C 1.067 176.011 174.900 0.074 0.000 0.987 114 G CA 0.774 45.978 45.100 0.174 0.000 0.625 114 G HN 0.561 nan 8.290 nan 0.000 0.532 115 K N 0.619 121.057 120.400 0.063 0.000 2.074 115 K HA -0.112 4.208 4.320 0.001 0.000 0.209 115 K C 2.613 179.227 176.600 0.023 0.000 1.048 115 K CA 2.013 58.316 56.287 0.028 0.000 0.926 115 K CB -0.298 32.221 32.500 0.031 0.000 0.713 115 K HN 0.437 nan 8.250 nan 0.000 0.444 116 S N -0.269 115.462 115.700 0.052 0.000 2.383 116 S HA -0.095 4.375 4.470 0.001 0.000 0.227 116 S C 1.869 176.507 174.600 0.063 0.000 1.026 116 S CA 1.617 59.852 58.200 0.059 0.000 0.981 116 S CB -0.199 63.053 63.200 0.085 0.000 0.818 116 S HN 0.413 nan 8.310 nan 0.000 0.472 117 T N 2.007 116.608 114.554 0.077 0.000 2.737 117 T HA -0.023 4.327 4.350 0.001 0.000 0.265 117 T C 1.963 176.631 174.700 -0.054 0.000 1.038 117 T CA 1.098 63.255 62.100 0.094 0.000 1.144 117 T CB -0.340 68.599 68.868 0.118 0.000 0.866 117 T HN 0.163 nan 8.240 nan 0.000 0.434 118 V N 1.664 121.529 119.914 -0.081 0.000 2.343 118 V HA -0.186 3.934 4.120 0.001 0.000 0.247 118 V C 2.770 178.781 176.094 -0.139 0.000 1.051 118 V CA 2.026 64.235 62.300 -0.152 0.000 1.036 118 V CB -1.140 30.591 31.823 -0.153 0.000 0.654 118 V HN 0.530 nan 8.190 nan 0.000 0.451 119 T N -0.659 113.847 114.554 -0.079 0.000 2.788 119 T HA -0.186 4.165 4.350 0.001 0.000 0.268 119 T C 1.943 176.603 174.700 -0.065 0.000 1.044 119 T CA 2.026 64.090 62.100 -0.060 0.000 1.139 119 T CB -0.345 68.508 68.868 -0.026 0.000 0.867 119 T HN 0.533 nan 8.240 nan 0.000 0.454 120 T N 2.138 116.658 114.554 -0.056 0.000 2.821 120 T HA 0.029 4.380 4.350 0.001 0.000 0.267 120 T C 1.844 176.425 174.700 -0.197 0.000 1.046 120 T CA 0.473 62.549 62.100 -0.040 0.000 1.139 120 T CB -0.357 68.572 68.868 0.102 0.000 0.871 120 T HN 0.054 nan 8.240 nan 0.000 0.454 121 L N 1.487 122.474 121.223 -0.394 0.000 2.017 121 L HA -0.038 4.302 4.340 0.001 0.000 0.208 121 L C 2.505 179.192 176.870 -0.305 0.000 1.073 121 L CA 1.537 56.021 54.840 -0.594 0.000 0.745 121 L CB -0.969 40.726 42.059 -0.606 0.000 0.894 121 L HN 0.100 nan 8.230 nan 0.000 0.432 122 V N -0.268 119.523 119.914 -0.204 0.000 2.490 122 V HA -0.216 3.905 4.120 0.001 0.000 0.250 122 V C 2.558 178.598 176.094 -0.090 0.000 1.061 122 V CA 1.627 63.849 62.300 -0.130 0.000 1.064 122 V CB -1.557 30.206 31.823 -0.100 0.000 0.670 122 V HN 0.614 nan 8.190 nan 0.000 0.461 123 G N -0.319 108.432 108.800 -0.081 0.000 2.414 123 G HA2 -0.196 3.765 3.960 0.001 0.000 0.215 123 G HA3 -0.196 3.765 3.960 0.001 0.000 0.215 123 G C 1.440 176.317 174.900 -0.038 0.000 1.188 123 G CA 0.570 45.646 45.100 -0.040 0.000 0.783 123 G HN 0.462 nan 8.290 nan 0.000 0.537 124 E N 0.353 120.517 120.200 -0.059 0.000 2.130 124 E HA -0.127 4.223 4.350 0.001 0.000 0.196 124 E C 2.522 179.099 176.600 -0.038 0.000 0.998 124 E CA 0.868 57.249 56.400 -0.031 0.000 0.806 124 E CB -0.400 29.264 29.700 -0.061 0.000 0.738 124 E HN 0.483 nan 8.360 nan 0.000 0.459 125 M N -0.016 119.541 119.600 -0.072 0.000 2.175 125 M HA -0.114 4.366 4.480 0.001 0.000 0.264 125 M C 2.310 178.593 176.300 -0.029 0.000 1.063 125 M CA 1.489 56.759 55.300 -0.050 0.000 1.119 125 M CB -0.205 32.356 32.600 -0.066 0.000 1.377 125 M HN 0.087 nan 8.290 nan 0.000 0.415 126 A N 0.699 123.500 122.820 -0.031 0.000 1.877 126 A HA -0.173 4.147 4.320 0.001 0.000 0.216 126 A C 2.085 179.661 177.584 -0.014 0.000 1.186 126 A CA 1.658 53.681 52.037 -0.023 0.000 0.620 126 A CB -0.508 18.477 19.000 -0.026 0.000 0.822 126 A HN 0.423 nan 8.150 nan 0.000 0.443 127 K N -0.179 120.216 120.400 -0.009 0.000 2.097 127 K HA -0.069 4.251 4.320 0.001 0.000 0.206 127 K C 2.140 178.743 176.600 0.004 0.000 1.049 127 K CA 1.127 57.414 56.287 0.001 0.000 0.933 127 K CB -0.350 32.157 32.500 0.012 0.000 0.717 127 K HN 0.430 nan 8.250 nan 0.000 0.442 128 A N 1.279 124.102 122.820 0.005 0.000 2.125 128 A HA -0.025 4.295 4.320 0.001 0.000 0.219 128 A C 2.085 179.672 177.584 0.005 0.000 1.156 128 A CA 1.531 53.574 52.037 0.010 0.000 0.671 128 A CB -0.352 18.655 19.000 0.012 0.000 0.794 128 A HN 0.320 nan 8.150 nan 0.000 0.459 129 A N -1.818 121.001 122.820 -0.000 0.000 2.275 129 A HA 0.444 4.764 4.320 0.001 0.000 0.212 129 A C 1.688 179.270 177.584 -0.003 0.000 1.201 129 A CA 1.001 53.038 52.037 -0.001 0.000 0.843 129 A CB -0.832 18.165 19.000 -0.005 0.000 0.873 129 A HN 1.760 nan 8.150 nan 0.000 0.492 130 G N -0.729 108.070 108.800 -0.003 0.000 2.155 130 G HA2 -0.154 3.807 3.960 0.001 0.000 0.257 130 G HA3 -0.154 3.807 3.960 0.001 0.000 0.257 130 G C 0.476 175.369 174.900 -0.011 0.000 0.983 130 G CA 0.707 45.805 45.100 -0.004 0.000 0.676 130 G HN 1.848 nan 8.290 nan 0.000 0.528 131 V N -1.320 118.585 119.914 -0.015 0.000 2.567 131 V HA 0.762 4.883 4.120 0.001 0.000 0.289 131 V C 0.445 176.519 176.094 -0.033 0.000 1.049 131 V CA -0.906 61.378 62.300 -0.026 0.000 0.969 131 V CB 1.808 33.612 31.823 -0.031 0.000 0.995 131 V HN 0.281 nan 8.190 nan 0.000 0.471 132 N N 4.420 123.093 118.700 -0.044 0.000 2.466 132 N HA 0.165 4.905 4.740 0.001 0.000 0.263 132 N C -0.732 174.726 175.510 -0.086 0.000 1.178 132 N CA 0.260 53.280 53.050 -0.051 0.000 0.983 132 N CB 0.492 38.950 38.487 -0.049 0.000 1.331 132 N HN 0.780 nan 8.380 nan 0.000 0.500 133 V N 2.497 122.373 119.914 -0.063 0.000 2.532 133 V HA 0.812 4.932 4.120 0.001 0.000 0.295 133 V C 0.420 176.487 176.094 -0.044 0.000 1.041 133 V CA -0.562 61.692 62.300 -0.076 0.000 0.926 133 V CB 1.281 33.081 31.823 -0.038 0.000 0.992 133 V HN 0.629 nan 8.190 nan 0.000 0.457 134 G N 5.383 114.158 108.800 -0.042 0.000 2.422 134 G HA2 0.591 4.551 3.960 0.001 0.000 0.317 134 G HA3 0.591 4.551 3.960 0.001 0.000 0.317 134 G C -1.270 173.718 174.900 0.148 0.000 1.210 134 G CA -0.349 44.815 45.100 0.106 0.000 0.930 134 G HN 0.823 nan 8.290 nan 0.000 0.468 135 V N 2.095 122.060 119.914 0.085 0.000 2.487 135 V HA 0.965 5.085 4.120 0.001 0.000 0.298 135 V C 0.672 176.778 176.094 0.020 0.000 1.028 135 V CA 0.467 62.796 62.300 0.048 0.000 0.860 135 V CB 0.871 32.712 31.823 0.029 0.000 0.991 135 V HN 1.228 nan 8.190 nan 0.000 0.427 136 G N 2.173 110.962 108.800 -0.019 0.000 2.539 136 G HA2 0.699 4.659 3.960 0.001 0.000 0.138 136 G HA3 0.699 4.659 3.960 0.001 0.000 0.138 136 G C 0.165 175.008 174.900 -0.093 0.000 1.148 136 G CA 0.479 45.552 45.100 -0.046 0.000 1.057 136 G HN 1.707 nan 8.290 nan 0.000 0.511 137 G N 0.354 109.073 108.800 -0.134 0.000 2.936 137 G HA2 -0.142 3.818 3.960 0.001 0.000 0.237 137 G HA3 -0.142 3.818 3.960 0.001 0.000 0.237 137 G C 0.785 175.635 174.900 -0.082 0.000 1.403 137 G CA 0.982 45.990 45.100 -0.155 0.000 1.011 137 G HN 1.663 nan 8.290 nan 0.000 0.568 138 N N 0.522 119.192 118.700 -0.049 0.000 2.449 138 N HA 0.382 5.122 4.740 0.001 0.000 0.191 138 N C -0.139 175.376 175.510 0.008 0.000 1.161 138 N CA 0.508 53.553 53.050 -0.010 0.000 0.863 138 N CB -0.037 38.456 38.487 0.009 0.000 0.980 138 N HN 0.488 nan 8.380 nan 0.000 0.458 139 I N -1.022 119.546 120.570 -0.003 0.000 2.644 139 I HA 0.492 4.663 4.170 0.001 0.000 0.291 139 I C 0.660 176.783 176.117 0.010 0.000 1.180 139 I CA 0.128 61.438 61.300 0.016 0.000 1.040 139 I CB 1.541 39.556 38.000 0.026 0.000 1.255 139 I HN 0.185 nan 8.210 nan 0.000 0.422 140 G N 5.574 114.387 108.800 0.021 0.000 2.527 140 G HA2 -0.195 3.766 3.960 0.001 0.000 0.262 140 G HA3 -0.195 3.766 3.960 0.001 0.000 0.262 140 G C -0.538 174.368 174.900 0.009 0.000 1.153 140 G CA -0.202 44.910 45.100 0.020 0.000 0.954 140 G HN 0.636 nan 8.290 nan 0.000 0.552 141 L N 2.469 123.694 121.223 0.003 0.000 2.334 141 L HA 0.444 4.785 4.340 0.001 0.000 0.277 141 L C -1.966 174.881 176.870 -0.039 0.000 1.075 141 L CA -1.808 53.029 54.840 -0.005 0.000 0.804 141 L CB 1.571 43.636 42.059 0.010 0.000 1.174 141 L HN 0.255 nan 8.230 nan 0.000 0.438 142 P HA -0.046 nan 4.420 nan 0.000 0.264 142 P C 0.211 177.432 177.300 -0.132 0.000 1.183 142 P CA 0.173 63.228 63.100 -0.076 0.000 0.763 142 P CB 0.896 32.569 31.700 -0.045 0.000 0.807 143 A N 4.272 126.937 122.820 -0.258 0.000 1.903 143 A HA -0.233 4.087 4.320 0.001 0.000 0.219 143 A C 2.013 179.431 177.584 -0.276 0.000 1.191 143 A CA 1.827 53.549 52.037 -0.526 0.000 0.638 143 A CB -1.649 16.751 19.000 -1.001 0.000 0.823 143 A HN 0.596 nan 8.150 nan 0.000 0.451 144 L N -1.270 119.908 121.223 -0.074 0.000 2.189 144 L HA -0.235 4.105 4.340 0.001 0.000 0.214 144 L C 2.509 179.462 176.870 0.139 0.000 1.097 144 L CA 1.507 56.415 54.840 0.114 0.000 0.764 144 L CB -0.511 41.549 42.059 0.003 0.000 0.900 144 L HN 0.491 nan 8.230 nan 0.000 0.436 145 M N -0.984 118.656 119.600 0.066 0.000 2.659 145 M HA -0.052 4.428 4.480 0.001 0.000 0.243 145 M C 1.632 178.001 176.300 0.115 0.000 1.111 145 M CA 0.829 56.179 55.300 0.083 0.000 1.070 145 M CB 0.052 32.681 32.600 0.049 0.000 1.525 145 M HN 0.273 nan 8.290 nan 0.000 0.517 146 L N -0.324 120.986 121.223 0.145 0.000 2.477 146 L HA 0.175 4.515 4.340 0.001 0.000 0.220 146 L C 0.773 177.893 176.870 0.416 0.000 1.106 146 L CA -0.209 54.782 54.840 0.252 0.000 0.851 146 L CB -0.089 42.113 42.059 0.239 0.000 0.994 146 L HN 0.231 nan 8.230 nan 0.000 0.462 147 L N 2.337 123.785 121.223 0.374 0.000 2.667 147 L HA -0.068 4.273 4.340 0.001 0.000 0.278 147 L C -0.338 176.691 176.870 0.264 0.000 1.217 147 L CA 0.809 55.841 54.840 0.320 0.000 0.935 147 L CB -0.077 42.100 42.059 0.198 0.000 1.193 147 L HN 0.112 nan 8.230 nan 0.000 0.493 148 D N 2.377 122.954 120.400 0.295 0.000 2.804 148 D HA 0.048 4.688 4.640 0.001 0.000 0.209 148 D C 0.148 176.521 176.300 0.123 0.000 1.314 148 D CA -0.494 53.605 54.000 0.166 0.000 0.894 148 D CB 1.440 42.327 40.800 0.145 0.000 1.615 148 D HN 0.381 nan 8.370 nan 0.000 0.571 149 D N 1.367 121.811 120.400 0.073 0.000 2.271 149 D HA -0.134 4.506 4.640 0.001 0.000 0.207 149 D C 1.156 177.470 176.300 0.023 0.000 0.983 149 D CA 0.952 54.979 54.000 0.045 0.000 0.878 149 D CB 0.550 41.366 40.800 0.027 0.000 0.920 149 D HN 0.474 nan 8.370 nan 0.000 0.479 150 E N -0.312 119.898 120.200 0.017 0.000 2.442 150 E HA -0.016 4.335 4.350 0.001 0.000 0.195 150 E C 0.601 177.177 176.600 -0.040 0.000 1.030 150 E CA -0.157 56.239 56.400 -0.006 0.000 0.869 150 E CB -0.183 29.517 29.700 0.000 0.000 0.857 150 E HN 0.158 nan 8.360 nan 0.000 0.505 151 C N 1.666 120.929 119.300 -0.062 0.000 2.642 151 C HA 0.023 4.483 4.460 0.001 0.000 0.420 151 C C 1.490 176.333 174.990 -0.245 0.000 1.349 151 C CA 0.117 59.013 59.018 -0.204 0.000 1.821 151 C CB -0.195 27.306 27.740 -0.397 0.000 2.637 151 C HN 0.363 nan 8.230 nan 0.000 0.605 152 E N 2.245 122.307 120.200 -0.230 0.000 2.489 152 E HA 0.284 4.635 4.350 0.001 0.000 0.204 152 E C -0.603 175.893 176.600 -0.173 0.000 1.006 152 E CA -0.020 56.285 56.400 -0.157 0.000 0.936 152 E CB 0.564 30.211 29.700 -0.089 0.000 1.002 152 E HN 0.542 nan 8.360 nan 0.000 0.488 153 L N -0.096 120.954 121.223 -0.288 0.000 2.643 153 L HA 0.322 4.663 4.340 0.001 0.000 0.257 153 L C -2.210 174.499 176.870 -0.269 0.000 0.922 153 L CA -0.689 54.034 54.840 -0.194 0.000 0.909 153 L CB 1.097 43.107 42.059 -0.081 0.000 1.424 153 L HN -0.180 nan 8.230 nan 0.000 0.422 154 Y N 3.706 124.059 120.300 0.088 0.000 2.352 154 Y HA 0.757 5.307 4.550 0.001 0.000 0.339 154 Y C -0.313 175.615 175.900 0.046 0.000 0.992 154 Y CA -0.847 57.314 58.100 0.102 0.000 1.100 154 Y CB 2.248 40.848 38.460 0.234 0.000 1.192 154 Y HN 0.336 nan 8.280 nan 0.000 0.458 155 V N 5.621 125.640 119.914 0.175 0.000 2.407 155 V HA 0.470 4.590 4.120 0.001 0.000 0.291 155 V C -0.528 175.582 176.094 0.026 0.000 1.018 155 V CA -0.837 61.506 62.300 0.071 0.000 0.842 155 V CB 1.236 33.075 31.823 0.026 0.000 0.996 155 V HN 0.585 nan 8.190 nan 0.000 0.426 156 L N 3.579 124.796 121.223 -0.011 0.000 2.362 156 L HA 0.642 4.982 4.340 0.001 0.000 0.271 156 L C -0.036 176.798 176.870 -0.059 0.000 1.002 156 L CA -0.507 54.289 54.840 -0.074 0.000 0.818 156 L CB 2.430 44.401 42.059 -0.146 0.000 1.298 156 L HN 0.579 nan 8.230 nan 0.000 0.420 157 E N 3.788 123.952 120.200 -0.060 0.000 2.109 157 E HA 0.506 4.856 4.350 0.001 0.000 0.278 157 E C -1.604 174.966 176.600 -0.050 0.000 0.954 157 E CA -0.543 55.831 56.400 -0.042 0.000 0.779 157 E CB 1.211 30.899 29.700 -0.021 0.000 1.093 157 E HN 0.460 nan 8.360 nan 0.000 0.401 158 L N 2.973 124.165 121.223 -0.052 0.000 2.346 158 L HA 0.384 4.725 4.340 0.001 0.000 0.274 158 L C 0.408 177.252 176.870 -0.043 0.000 1.007 158 L CA -0.775 54.033 54.840 -0.052 0.000 0.818 158 L CB 1.858 43.877 42.059 -0.068 0.000 1.284 158 L HN 0.501 nan 8.230 nan 0.000 0.424 159 S N 0.442 116.133 115.700 -0.014 0.000 2.730 159 S HA 0.345 4.815 4.470 0.001 0.000 0.284 159 S C 0.914 175.479 174.600 -0.059 0.000 1.153 159 S CA -0.476 57.721 58.200 -0.006 0.000 0.995 159 S CB 1.663 64.915 63.200 0.086 0.000 1.058 159 S HN 0.528 nan 8.310 nan 0.000 0.552 160 S N 0.101 115.718 115.700 -0.139 0.000 2.368 160 S HA -0.007 4.463 4.470 0.001 0.000 0.225 160 S C 1.378 175.903 174.600 -0.124 0.000 1.030 160 S CA 1.346 59.401 58.200 -0.242 0.000 0.999 160 S CB -0.806 62.155 63.200 -0.398 0.000 0.844 160 S HN 0.630 nan 8.310 nan 0.000 0.459 161 F N 2.070 122.033 119.950 0.023 0.000 2.126 161 F HA -0.133 4.394 4.527 -0.001 0.000 0.299 161 F C 2.615 178.410 175.800 -0.009 0.000 1.096 161 F CA 1.034 59.045 58.000 0.020 0.000 1.255 161 F CB -0.929 38.101 39.000 0.049 0.000 0.997 161 F HN 0.236 nan 8.300 nan 0.000 0.479 162 Q N 0.091 119.996 119.800 0.175 0.000 2.061 162 Q HA -0.201 4.139 4.340 0.001 0.000 0.204 162 Q C 2.321 178.338 176.000 0.029 0.000 0.984 162 Q CA 1.696 57.542 55.803 0.072 0.000 0.846 162 Q CB -0.561 28.194 28.738 0.028 0.000 0.902 162 Q HN 0.426 nan 8.270 nan 0.000 0.421 163 L N 0.376 121.595 121.223 -0.006 0.000 2.191 163 L HA -0.189 4.151 4.340 0.001 0.000 0.212 163 L C 2.171 179.031 176.870 -0.017 0.000 1.103 163 L CA 0.909 55.728 54.840 -0.035 0.000 0.769 163 L CB -0.226 41.780 42.059 -0.088 0.000 0.908 163 L HN 0.196 nan 8.230 nan 0.000 0.438 164 E N -0.303 119.900 120.200 0.005 0.000 2.204 164 E HA -0.173 4.178 4.350 0.001 0.000 0.195 164 E C 1.580 178.196 176.600 0.026 0.000 0.990 164 E CA 1.591 58.001 56.400 0.016 0.000 0.821 164 E CB 0.141 29.872 29.700 0.052 0.000 0.750 164 E HN 0.490 nan 8.360 nan 0.000 0.477 165 T N -2.828 111.746 114.554 0.034 0.000 3.174 165 T HA 0.204 4.554 4.350 0.001 0.000 0.269 165 T C 0.116 174.829 174.700 0.021 0.000 1.017 165 T CA -0.497 61.620 62.100 0.028 0.000 0.899 165 T CB 0.569 69.455 68.868 0.030 0.000 1.077 165 T HN -0.205 nan 8.240 nan 0.000 0.552 166 T N 1.858 116.421 114.554 0.015 0.000 2.792 166 T HA 0.534 4.884 4.350 0.001 0.000 0.280 166 T C 0.788 175.497 174.700 0.015 0.000 0.990 166 T CA -0.571 61.538 62.100 0.015 0.000 0.960 166 T CB 1.754 70.626 68.868 0.008 0.000 0.939 166 T HN 0.318 nan 8.240 nan 0.000 0.439 167 S N 0.090 115.803 115.700 0.023 0.000 2.679 167 S HA 0.069 4.539 4.470 0.001 0.000 0.258 167 S C 1.316 175.931 174.600 0.026 0.000 1.068 167 S CA -0.160 58.054 58.200 0.023 0.000 1.115 167 S CB 0.137 63.352 63.200 0.024 0.000 1.078 167 S HN 0.591 nan 8.310 nan 0.000 0.603 168 S N 1.445 117.163 115.700 0.029 0.000 2.601 168 S HA 0.441 4.912 4.470 0.001 0.000 0.244 168 S C -0.051 174.568 174.600 0.032 0.000 1.001 168 S CA -0.582 57.635 58.200 0.028 0.000 0.984 168 S CB -0.317 62.900 63.200 0.027 0.000 0.842 168 S HN 0.421 nan 8.310 nan 0.000 0.474 169 L N 2.463 123.707 121.223 0.035 0.000 2.410 169 L HA 0.358 4.698 4.340 0.001 0.000 0.273 169 L C -0.199 176.697 176.870 0.044 0.000 1.144 169 L CA 0.900 55.767 54.840 0.044 0.000 0.863 169 L CB 0.345 42.426 42.059 0.036 0.000 1.140 169 L HN 0.316 nan 8.230 nan 0.000 0.463 170 Q N 5.628 125.458 119.800 0.050 0.000 3.064 170 Q HA 0.484 4.824 4.340 0.001 0.000 0.258 170 Q C -0.451 175.586 176.000 0.062 0.000 0.972 170 Q CA -0.552 55.282 55.803 0.050 0.000 0.761 170 Q CB 1.270 30.033 28.738 0.040 0.000 1.281 170 Q HN 0.891 nan 8.270 nan 0.000 0.455 171 A N 0.891 123.751 122.820 0.067 0.000 2.477 171 A HA 0.108 4.428 4.320 0.001 0.000 0.246 171 A C 1.153 178.779 177.584 0.071 0.000 1.078 171 A CA -0.157 51.924 52.037 0.074 0.000 0.770 171 A CB 0.715 19.754 19.000 0.066 0.000 1.011 171 A HN 0.550 nan 8.150 nan 0.000 0.494 172 V N 2.133 122.089 119.914 0.071 0.000 2.427 172 V HA 0.238 4.359 4.120 0.001 0.000 0.248 172 V C 1.073 177.202 176.094 0.058 0.000 1.051 172 V CA 2.366 64.702 62.300 0.060 0.000 1.048 172 V CB -0.376 31.480 31.823 0.056 0.000 0.666 172 V HN 1.342 nan 8.190 nan 0.000 0.456 173 A N -1.051 121.805 122.820 0.060 0.000 2.488 173 A HA 0.892 5.212 4.320 0.001 0.000 0.298 173 A C -0.719 176.906 177.584 0.069 0.000 1.044 173 A CA 0.054 52.128 52.037 0.061 0.000 0.693 173 A CB 1.756 20.777 19.000 0.034 0.000 1.272 173 A HN 1.083 nan 8.150 nan 0.000 0.402 174 A N 0.730 123.618 122.820 0.113 0.000 2.515 174 A HA 0.952 5.273 4.320 0.001 0.000 0.298 174 A C -0.486 177.207 177.584 0.182 0.000 1.059 174 A CA -0.096 52.002 52.037 0.102 0.000 0.698 174 A CB 1.793 20.855 19.000 0.103 0.000 1.289 174 A HN 1.828 nan 8.150 nan 0.000 0.404 175 T N 1.102 115.688 114.554 0.053 0.000 2.923 175 T HA 0.607 4.957 4.350 0.001 0.000 0.311 175 T C -1.541 173.140 174.700 -0.031 0.000 1.183 175 T CA -0.325 61.860 62.100 0.143 0.000 1.020 175 T CB 0.629 69.590 68.868 0.156 0.000 1.165 175 T HN 0.536 nan 8.240 nan 0.000 0.482 176 I N 5.809 126.410 120.570 0.051 0.000 2.328 176 I HA 0.296 4.467 4.170 0.001 0.000 0.287 176 I C 1.246 177.448 176.117 0.143 0.000 1.012 176 I CA -0.638 60.658 61.300 -0.005 0.000 1.195 176 I CB 1.579 39.571 38.000 -0.014 0.000 1.350 176 I HN 0.645 nan 8.210 nan 0.000 0.464 177 L N 5.718 127.022 121.223 0.136 0.000 2.093 177 L HA -0.093 4.248 4.340 0.001 0.000 0.208 177 L C 0.067 177.084 176.870 0.246 0.000 1.085 177 L CA 1.134 56.120 54.840 0.243 0.000 0.755 177 L CB -0.413 41.732 42.059 0.145 0.000 0.904 177 L HN 0.813 nan 8.230 nan 0.000 0.435 178 N N -3.521 115.272 118.700 0.154 0.000 3.171 178 N HA 0.314 5.054 4.740 0.001 0.000 0.239 178 N C -1.323 174.259 175.510 0.120 0.000 1.275 178 N CA -0.726 52.404 53.050 0.133 0.000 0.920 178 N CB 1.561 40.134 38.487 0.144 0.000 1.554 178 N HN -0.315 nan 8.380 nan 0.000 0.504 179 V N 0.460 120.447 119.914 0.122 0.000 2.289 179 V HA 0.570 4.690 4.120 0.001 0.000 0.272 179 V C 0.224 176.405 176.094 0.144 0.000 1.026 179 V CA -0.377 62.027 62.300 0.173 0.000 0.807 179 V CB 0.271 32.191 31.823 0.162 0.000 1.044 179 V HN 0.965 nan 8.190 nan 0.000 0.443 180 T N 0.504 115.135 114.554 0.128 0.000 2.862 180 T HA 0.417 4.767 4.350 0.001 0.000 0.276 180 T C 0.459 175.158 174.700 -0.002 0.000 0.974 180 T CA -0.667 61.467 62.100 0.058 0.000 0.966 180 T CB 1.353 70.245 68.868 0.040 0.000 1.072 180 T HN 0.462 nan 8.240 nan 0.000 0.538 181 E N 1.077 121.260 120.200 -0.028 0.000 2.780 181 E HA 0.245 4.596 4.350 0.001 0.000 0.234 181 E C -0.357 176.170 176.600 -0.122 0.000 1.425 181 E CA 0.127 56.484 56.400 -0.072 0.000 1.481 181 E CB -0.465 29.209 29.700 -0.043 0.000 1.357 181 E HN 0.622 nan 8.360 nan 0.000 0.431 190 G N 1.609 110.547 108.800 0.229 0.000 2.313 190 G HA2 0.276 4.236 3.960 0.001 0.000 0.250 190 G HA3 0.276 4.236 3.960 0.001 0.000 0.250 190 G C 0.813 175.781 174.900 0.113 0.000 1.281 190 G CA -0.350 44.820 45.100 0.118 0.000 0.917 190 G HN 0.837 nan 8.290 nan 0.000 0.501 191 L N 1.514 122.778 121.223 0.069 0.000 2.211 191 L HA -0.252 4.089 4.340 0.001 0.000 0.216 191 L C 2.936 179.898 176.870 0.153 0.000 1.092 191 L CA 1.556 56.466 54.840 0.116 0.000 0.767 191 L CB 0.009 42.108 42.059 0.066 0.000 0.894 191 L HN 0.668 nan 8.230 nan 0.000 0.437 192 Q N -1.023 118.836 119.800 0.099 0.000 2.167 192 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 192 Q C 2.056 178.097 176.000 0.069 0.000 0.970 192 Q CA 1.283 57.131 55.803 0.075 0.000 0.855 192 Q CB 0.236 29.005 28.738 0.052 0.000 0.911 192 Q HN 0.497 nan 8.270 nan 0.000 0.438 193 Q N -1.755 118.094 119.800 0.082 0.000 2.376 193 Q HA -0.059 4.281 4.340 0.001 0.000 0.206 193 Q C 1.397 177.433 176.000 0.059 0.000 0.921 193 Q CA 0.559 56.388 55.803 0.043 0.000 0.911 193 Q CB -0.290 28.456 28.738 0.014 0.000 1.032 193 Q HN 0.447 nan 8.270 nan 0.000 0.510 194 Y N 2.385 122.667 120.300 -0.029 0.000 2.109 194 Y HA -0.101 4.449 4.550 0.001 0.000 0.285 194 Y C 2.544 178.416 175.900 -0.046 0.000 1.131 194 Y CA 1.734 59.803 58.100 -0.052 0.000 1.121 194 Y CB -0.045 38.399 38.460 -0.026 0.000 0.987 194 Y HN -0.045 nan 8.280 nan 0.000 0.495 195 R N 0.205 120.744 120.500 0.065 0.000 2.081 195 R HA -0.145 4.195 4.340 0.001 0.000 0.235 195 R C 2.303 178.562 176.300 -0.070 0.000 1.131 195 R CA 1.223 57.299 56.100 -0.039 0.000 0.960 195 R CB -0.564 29.778 30.300 0.070 0.000 0.856 195 R HN 0.474 nan 8.270 nan 0.000 0.436 196 A N 0.726 123.529 122.820 -0.028 0.000 1.933 196 A HA -0.122 4.198 4.320 0.001 0.000 0.218 196 A C 2.304 179.848 177.584 -0.068 0.000 1.175 196 A CA 1.674 53.695 52.037 -0.028 0.000 0.628 196 A CB -0.621 18.374 19.000 -0.008 0.000 0.814 196 A HN 0.530 nan 8.150 nan 0.000 0.444 197 A N -0.089 122.664 122.820 -0.111 0.000 1.845 197 A HA -0.186 4.135 4.320 0.001 0.000 0.215 197 A C 2.117 179.590 177.584 -0.185 0.000 1.195 197 A CA 1.893 53.845 52.037 -0.142 0.000 0.616 197 A CB -0.555 18.334 19.000 -0.186 0.000 0.832 197 A HN 0.506 nan 8.150 nan 0.000 0.443 198 K N -0.557 119.677 120.400 -0.277 0.000 2.074 198 K HA -0.102 4.218 4.320 0.001 0.000 0.209 198 K C 1.751 178.208 176.600 -0.239 0.000 1.048 198 K CA 1.498 57.613 56.287 -0.286 0.000 0.926 198 K CB -0.432 31.857 32.500 -0.352 0.000 0.713 198 K HN 0.463 nan 8.250 nan 0.000 0.444 199 L N 1.171 122.312 121.223 -0.136 0.000 2.353 199 L HA -0.156 4.185 4.340 0.001 0.000 0.220 199 L C 2.126 178.976 176.870 -0.034 0.000 1.133 199 L CA 0.900 55.718 54.840 -0.036 0.000 0.798 199 L CB -0.352 41.750 42.059 0.072 0.000 0.922 199 L HN 0.211 nan 8.230 nan 0.000 0.445 200 R N -0.058 120.398 120.500 -0.073 0.000 2.307 200 R HA -0.071 4.269 4.340 0.001 0.000 0.199 200 R C 1.982 178.238 176.300 -0.072 0.000 1.000 200 R CA 0.735 56.813 56.100 -0.037 0.000 1.023 200 R CB -0.616 29.665 30.300 -0.031 0.000 0.908 200 R HN 0.378 nan 8.270 nan 0.000 0.473 201 I N 0.859 121.309 120.570 -0.201 0.000 2.756 201 I HA -0.227 3.944 4.170 0.001 0.000 0.262 201 I C 0.926 176.956 176.117 -0.145 0.000 1.225 201 I CA 1.070 62.237 61.300 -0.221 0.000 1.472 201 I CB 0.108 37.903 38.000 -0.342 0.000 1.094 201 I HN 0.093 nan 8.210 nan 0.000 0.454 202 Y N 0.989 121.287 120.300 -0.004 0.000 2.517 202 Y HA 0.120 4.671 4.550 0.001 0.000 0.281 202 Y C 0.877 176.780 175.900 0.006 0.000 1.125 202 Y CA -0.319 57.783 58.100 0.003 0.000 1.283 202 Y CB -0.452 38.010 38.460 0.002 0.000 1.042 202 Y HN 0.123 nan 8.280 nan 0.000 0.547 203 E N 1.939 122.229 120.200 0.150 0.000 2.480 203 E HA -0.069 4.282 4.350 0.001 0.000 0.258 203 E C 0.198 176.844 176.600 0.076 0.000 0.984 203 E CA 0.325 56.782 56.400 0.094 0.000 0.930 203 E CB 0.002 29.738 29.700 0.060 0.000 0.936 203 E HN 0.278 nan 8.360 nan 0.000 0.466 204 N N -0.134 118.606 118.700 0.065 0.000 2.909 204 N HA -0.201 4.539 4.740 0.001 0.000 0.242 204 N C -0.563 174.984 175.510 0.061 0.000 0.975 204 N CA 1.079 54.161 53.050 0.053 0.000 0.921 204 N CB -1.281 37.232 38.487 0.044 0.000 1.112 204 N HN 0.567 nan 8.380 nan 0.000 0.581 205 A N 0.914 123.785 122.820 0.085 0.000 2.440 205 A HA 0.214 4.535 4.320 0.001 0.000 0.251 205 A C 1.407 179.033 177.584 0.071 0.000 1.089 205 A CA 0.361 52.455 52.037 0.095 0.000 0.779 205 A CB 0.646 19.742 19.000 0.159 0.000 1.022 205 A HN 0.287 nan 8.150 nan 0.000 0.492 206 K N 1.643 122.079 120.400 0.061 0.000 2.025 206 K HA 0.033 4.353 4.320 0.001 0.000 0.207 206 K C 0.027 176.654 176.600 0.044 0.000 1.049 206 K CA 1.380 57.695 56.287 0.047 0.000 0.933 206 K CB -0.019 32.506 32.500 0.043 0.000 0.714 206 K HN 0.517 nan 8.250 nan 0.000 0.438 207 V N 0.601 120.548 119.914 0.055 0.000 2.735 207 V HA 0.236 4.356 4.120 0.001 0.000 0.310 207 V C -0.894 175.243 176.094 0.071 0.000 1.061 207 V CA -1.026 61.303 62.300 0.048 0.000 0.913 207 V CB 1.773 33.624 31.823 0.047 0.000 1.005 207 V HN 0.236 nan 8.190 nan 0.000 0.428 208 C N 4.183 123.502 119.300 0.033 0.000 2.303 208 C HA 0.689 5.149 4.460 0.001 0.000 0.326 208 C C 0.134 175.148 174.990 0.040 0.000 1.285 208 C CA -0.756 58.275 59.018 0.022 0.000 1.675 208 C CB 0.793 28.361 27.740 -0.286 0.000 2.289 208 C HN 0.611 nan 8.230 nan 0.000 0.512 209 V N 5.209 125.221 119.914 0.163 0.000 2.384 209 V HA 0.639 4.760 4.120 0.001 0.000 0.287 209 V C 0.181 176.425 176.094 0.250 0.000 1.020 209 V CA -0.205 62.196 62.300 0.167 0.000 0.850 209 V CB 1.307 33.217 31.823 0.145 0.000 0.987 209 V HN 0.799 nan 8.190 nan 0.000 0.436 210 V N 1.864 121.860 119.914 0.136 0.000 3.113 210 V HA 0.703 4.823 4.120 0.001 0.000 0.316 210 V C -0.327 175.601 176.094 -0.277 0.000 1.125 210 V CA -0.996 61.336 62.300 0.052 0.000 1.026 210 V CB 2.296 34.089 31.823 -0.051 0.000 1.080 210 V HN 0.684 nan 8.190 nan 0.000 0.444 211 N N 1.003 119.479 118.700 -0.372 0.000 2.439 211 N HA 0.448 5.188 4.740 0.001 0.000 0.249 211 N C 0.895 176.142 175.510 -0.439 0.000 1.003 211 N CA 0.309 52.870 53.050 -0.814 0.000 0.942 211 N CB 1.640 39.878 38.487 -0.415 0.000 1.115 211 N HN 1.026 nan 8.380 nan 0.000 0.505 212 A N 3.233 125.783 122.820 -0.450 0.000 2.024 212 A HA -0.132 4.188 4.320 0.001 0.000 0.220 212 A C 1.039 178.538 177.584 -0.141 0.000 1.164 212 A CA 1.326 53.237 52.037 -0.210 0.000 0.643 212 A CB 0.009 18.922 19.000 -0.145 0.000 0.806 212 A HN 0.702 nan 8.150 nan 0.000 0.451 213 D N -0.773 119.538 120.400 -0.149 0.000 2.340 213 D HA 0.088 4.729 4.640 0.001 0.000 0.217 213 D C -0.491 175.785 176.300 -0.039 0.000 1.081 213 D CA 0.303 54.265 54.000 -0.062 0.000 0.842 213 D CB 0.392 41.181 40.800 -0.019 0.000 0.934 213 D HN 0.332 nan 8.370 nan 0.000 0.511 214 D N 0.057 120.422 120.400 -0.059 0.000 2.330 214 D HA 0.294 4.934 4.640 0.001 0.000 0.249 214 D C 0.909 177.199 176.300 -0.016 0.000 1.306 214 D CA -0.571 53.420 54.000 -0.016 0.000 0.956 214 D CB 1.101 41.907 40.800 0.011 0.000 1.261 214 D HN -0.116 nan 8.370 nan 0.000 0.544 215 A N 3.660 126.475 122.820 -0.009 0.000 2.032 215 A HA -0.130 4.191 4.320 0.001 0.000 0.221 215 A C 2.068 179.663 177.584 0.018 0.000 1.165 215 A CA 0.924 52.959 52.037 -0.004 0.000 0.645 215 A CB -0.365 18.634 19.000 -0.002 0.000 0.807 215 A HN 0.685 nan 8.150 nan 0.000 0.453 216 L N 0.070 121.314 121.223 0.034 0.000 2.456 216 L HA -0.097 4.243 4.340 0.001 0.000 0.224 216 L C 2.471 179.386 176.870 0.074 0.000 1.148 216 L CA 1.513 56.385 54.840 0.054 0.000 0.825 216 L CB -0.754 41.344 42.059 0.066 0.000 0.937 216 L HN 0.666 nan 8.230 nan 0.000 0.450 217 T N -3.897 110.702 114.554 0.075 0.000 3.129 217 T HA 0.148 4.499 4.350 0.001 0.000 0.251 217 T C 0.734 175.549 174.700 0.191 0.000 1.117 217 T CA -0.081 62.100 62.100 0.134 0.000 1.034 217 T CB -0.052 68.884 68.868 0.113 0.000 0.968 217 T HN 0.061 nan 8.240 nan 0.000 0.526 218 M N 2.060 121.711 119.600 0.085 0.000 2.264 218 M HA 0.364 4.844 4.480 0.001 0.000 0.352 218 M C -2.672 173.632 176.300 0.007 0.000 1.173 218 M CA -2.363 52.937 55.300 -0.001 0.000 1.075 218 M CB 1.143 33.720 32.600 -0.038 0.000 1.621 218 M HN -0.238 nan 8.290 nan 0.000 0.457 219 P HA 0.129 nan 4.420 nan 0.000 0.262 219 P C -0.341 176.935 177.300 -0.040 0.000 1.455 219 P CA 0.392 63.444 63.100 -0.081 0.000 1.217 219 P CB -0.281 31.240 31.700 -0.298 0.000 1.625 224 D N 0.224 120.593 120.400 -0.051 0.000 2.735 224 D HA -0.140 4.500 4.640 0.001 0.000 0.235 224 D C 0.369 176.636 176.300 -0.055 0.000 1.175 224 D CA 1.806 55.781 54.000 -0.041 0.000 0.683 224 D CB -1.029 39.753 40.800 -0.031 0.000 1.008 224 D HN 0.723 nan 8.370 nan 0.000 0.416 225 E N -0.902 119.266 120.200 -0.055 0.000 1.088 225 E HA -0.107 4.244 4.350 0.001 0.000 0.204 225 E C -0.557 176.014 176.600 -0.049 0.000 0.982 225 E CA -0.137 56.230 56.400 -0.055 0.000 0.845 225 E CB 0.124 29.770 29.700 -0.089 0.000 4.909 225 E HN 0.186 nan 8.360 nan 0.000 0.575 226 R N 0.315 120.783 120.500 -0.054 0.000 2.650 226 R HA -0.111 4.229 4.340 0.001 0.000 0.315 226 R C -0.987 175.288 176.300 -0.042 0.000 0.986 226 R CA 0.914 56.991 56.100 -0.038 0.000 0.744 226 R CB -3.138 27.151 30.300 -0.019 0.000 2.072 226 R HN 0.281 nan 8.270 nan 0.000 0.477 227 C N 0.657 119.919 119.300 -0.063 0.000 2.382 227 C HA 0.608 5.068 4.460 0.001 0.000 0.363 227 C C 1.484 176.471 174.990 -0.005 0.000 1.213 227 C CA -0.874 58.107 59.018 -0.062 0.000 2.363 227 C CB 1.598 29.256 27.740 -0.136 0.000 2.397 227 C HN 0.436 nan 8.230 nan 0.000 0.573 228 V N 2.845 122.778 119.914 0.032 0.000 2.546 228 V HA 0.514 4.635 4.120 0.001 0.000 0.284 228 V C 0.413 176.567 176.094 0.100 0.000 1.050 228 V CA 0.293 62.650 62.300 0.096 0.000 0.981 228 V CB 1.504 33.403 31.823 0.126 0.000 0.990 228 V HN 1.098 nan 8.190 nan 0.000 0.474 229 S N 4.730 120.515 115.700 0.143 0.000 2.542 229 S HA 0.859 5.329 4.470 0.001 0.000 0.293 229 S C -0.917 173.816 174.600 0.222 0.000 1.089 229 S CA -0.737 57.519 58.200 0.094 0.000 0.961 229 S CB 1.906 65.101 63.200 -0.010 0.000 1.062 229 S HN 0.658 nan 8.310 nan 0.000 0.483 230 F N -0.328 119.684 119.950 0.103 0.000 2.538 230 F HA 1.028 5.556 4.527 0.000 0.000 0.325 230 F C 0.160 176.035 175.800 0.124 0.000 1.066 230 F CA -0.406 57.680 58.000 0.144 0.000 0.946 230 F CB 1.417 40.452 39.000 0.058 0.000 1.199 230 F HN 1.038 nan 8.300 nan 0.000 0.473 231 G N 1.018 109.955 108.800 0.228 0.000 2.488 231 G HA2 0.393 4.354 3.960 0.001 0.000 0.301 231 G HA3 0.393 4.354 3.960 0.001 0.000 0.301 231 G C -0.734 174.299 174.900 0.222 0.000 1.339 231 G CA -0.286 44.875 45.100 0.102 0.000 0.803 231 G HN 0.704 nan 8.290 nan 0.000 0.482 232 V N 0.518 120.527 119.914 0.158 0.000 2.255 232 V HA -0.042 4.078 4.120 0.001 0.000 0.243 232 V C 2.183 178.372 176.094 0.158 0.000 1.038 232 V CA 1.936 64.339 62.300 0.171 0.000 1.008 232 V CB -0.335 31.569 31.823 0.135 0.000 0.645 232 V HN 0.645 nan 8.190 nan 0.000 0.449 233 N N -1.329 117.406 118.700 0.059 0.000 2.414 233 N HA 0.242 4.983 4.740 0.001 0.000 0.177 233 N C 0.539 175.852 175.510 -0.327 0.000 1.062 233 N CA 0.499 53.526 53.050 -0.038 0.000 0.890 233 N CB 0.570 39.041 38.487 -0.025 0.000 1.070 233 N HN 0.380 nan 8.380 nan 0.000 0.454 234 M N -0.606 118.857 119.600 -0.228 0.000 2.690 234 M HA 0.535 5.016 4.480 0.001 0.000 0.302 234 M C 0.063 176.311 176.300 -0.086 0.000 1.234 234 M CA -0.626 54.494 55.300 -0.300 0.000 0.853 234 M CB 2.871 35.382 32.600 -0.149 0.000 1.748 234 M HN 0.153 nan 8.290 nan 0.000 0.469 235 G N 0.528 109.326 108.800 -0.003 0.000 2.423 235 G HA2 -0.101 3.859 3.960 0.001 0.000 0.684 235 G HA3 -0.101 3.859 3.960 0.001 0.000 0.684 235 G C -0.569 174.493 174.900 0.270 0.000 1.309 235 G CA -0.603 44.579 45.100 0.137 0.000 0.950 235 G HN 0.750 nan 8.290 nan 0.000 0.587 236 D N -0.831 119.717 120.400 0.247 0.000 2.144 236 D HA -0.024 4.616 4.640 0.001 0.000 0.200 236 D C 0.089 176.442 176.300 0.088 0.000 0.978 236 D CA 1.701 55.816 54.000 0.193 0.000 0.833 236 D CB 0.169 41.146 40.800 0.296 0.000 0.961 236 D HN 0.270 nan 8.370 nan 0.000 0.470 237 Y N 0.577 120.972 120.300 0.158 0.000 2.326 237 Y HA 0.255 4.806 4.550 0.001 0.000 0.331 237 Y C 0.485 176.504 175.900 0.197 0.000 0.962 237 Y CA -0.801 57.370 58.100 0.120 0.000 1.167 237 Y CB 1.013 39.566 38.460 0.155 0.000 1.148 237 Y HN 0.001 nan 8.280 nan 0.000 0.463 238 H N 1.667 120.844 119.070 0.177 0.000 2.990 238 H HA 0.590 5.147 4.556 0.000 0.000 0.336 238 H C -1.742 173.650 175.328 0.105 0.000 1.306 238 H CA -1.169 54.969 56.048 0.150 0.000 1.118 238 H CB 1.046 30.870 29.762 0.104 0.000 1.856 238 H HN 0.538 nan 8.280 nan 0.000 0.538 239 L N 1.221 122.600 121.223 0.260 0.000 2.375 239 L HA 0.334 4.675 4.340 0.001 0.000 0.271 239 L C 0.466 177.472 176.870 0.227 0.000 1.107 239 L CA -0.507 54.420 54.840 0.146 0.000 0.806 239 L CB 1.019 43.148 42.059 0.116 0.000 1.146 239 L HN 0.645 nan 8.230 nan 0.000 0.447 240 N N 0.477 119.259 118.700 0.137 0.000 2.430 240 N HA 0.183 4.923 4.740 0.001 0.000 0.290 240 N C -1.492 174.120 175.510 0.171 0.000 1.063 240 N CA -0.663 52.493 53.050 0.177 0.000 0.883 240 N CB 1.347 39.912 38.487 0.131 0.000 1.465 240 N HN 0.673 nan 8.380 nan 0.000 0.493 241 H N 2.887 122.026 119.070 0.114 0.000 2.690 241 H HA 0.242 4.798 4.556 0.001 0.000 0.280 241 H C -0.983 174.412 175.328 0.112 0.000 1.138 241 H CA -0.211 55.899 56.048 0.103 0.000 1.241 241 H CB 0.598 30.396 29.762 0.061 0.000 1.394 241 H HN 0.512 nan 8.280 nan 0.000 0.489 242 Q N 3.139 122.868 119.800 -0.117 0.000 2.359 242 Q HA 0.322 4.662 4.340 0.001 0.000 0.274 242 Q C -0.857 175.133 176.000 -0.017 0.000 1.074 242 Q CA -1.214 54.587 55.803 -0.003 0.000 0.810 242 Q CB 2.180 30.933 28.738 0.025 0.000 1.342 242 Q HN 0.645 nan 8.270 nan 0.000 0.427 243 Q N 0.567 120.386 119.800 0.032 0.000 2.470 243 Q HA -0.246 4.095 4.340 0.001 0.000 0.294 243 Q C 0.479 176.502 176.000 0.038 0.000 1.356 243 Q CA 0.642 56.474 55.803 0.048 0.000 0.805 243 Q CB -2.296 26.474 28.738 0.053 0.000 1.157 243 Q HN 1.468 nan 8.270 nan 0.000 0.431 244 G N -0.864 107.972 108.800 0.059 0.000 2.166 244 G HA2 -0.307 3.653 3.960 0.001 0.000 0.260 244 G HA3 -0.307 3.653 3.960 0.001 0.000 0.260 244 G C -0.081 174.784 174.900 -0.058 0.000 0.986 244 G CA 0.941 46.097 45.100 0.094 0.000 0.683 244 G HN 0.372 nan 8.290 nan 0.000 0.527 245 E N -0.646 119.360 120.200 -0.324 0.000 2.367 245 E HA 0.603 4.953 4.350 0.001 0.000 0.273 245 E C -0.708 175.502 176.600 -0.650 0.000 0.903 245 E CA -0.460 55.701 56.400 -0.398 0.000 0.764 245 E CB 1.669 31.202 29.700 -0.278 0.000 1.252 245 E HN 0.055 nan 8.360 nan 0.000 0.446 246 T N 1.464 115.703 114.554 -0.524 0.000 2.779 246 T HA 0.505 4.855 4.350 0.001 0.000 0.280 246 T C -0.908 173.483 174.700 -0.515 0.000 0.987 246 T CA -0.522 61.373 62.100 -0.341 0.000 0.966 246 T CB 0.381 69.132 68.868 -0.196 0.000 0.933 246 T HN 0.193 nan 8.240 nan 0.000 0.442 247 W N 2.254 123.425 121.300 -0.216 0.000 2.781 247 W HA 0.658 5.318 4.660 0.001 0.000 0.345 247 W C -0.675 175.731 176.519 -0.189 0.000 1.085 247 W CA -1.050 56.179 57.345 -0.192 0.000 1.198 247 W CB 0.876 30.241 29.460 -0.158 0.000 1.423 247 W HN 0.331 nan 8.180 nan 0.000 0.532 248 L N 3.033 124.300 121.223 0.073 0.000 2.326 248 L HA 0.568 4.909 4.340 0.001 0.000 0.278 248 L C 0.334 177.196 176.870 -0.013 0.000 1.092 248 L CA -0.750 54.092 54.840 0.003 0.000 0.810 248 L CB 0.636 42.702 42.059 0.011 0.000 1.153 248 L HN 0.373 nan 8.230 nan 0.000 0.439 249 R N 2.581 122.985 120.500 -0.160 0.000 2.599 249 R HA 0.683 5.023 4.340 0.001 0.000 0.295 249 R C -1.410 174.682 176.300 -0.347 0.000 0.963 249 R CA -0.824 55.105 56.100 -0.284 0.000 0.883 249 R CB 2.684 32.694 30.300 -0.483 0.000 1.171 249 R HN 0.288 nan 8.270 nan 0.000 0.450 250 V N 3.208 122.920 119.914 -0.337 0.000 2.483 250 V HA 0.200 4.320 4.120 0.001 0.000 0.297 250 V C 0.242 176.136 176.094 -0.334 0.000 1.027 250 V CA -0.874 61.124 62.300 -0.503 0.000 0.855 250 V CB 1.459 32.957 31.823 -0.541 0.000 0.995 250 V HN 0.790 nan 8.190 nan 0.000 0.424 251 K N 3.750 123.981 120.400 -0.282 0.000 3.016 251 K HA -0.281 4.039 4.320 0.001 0.000 0.262 251 K C 1.182 177.723 176.600 -0.098 0.000 1.043 251 K CA 0.803 57.008 56.287 -0.137 0.000 0.761 251 K CB -1.309 31.118 32.500 -0.122 0.000 1.230 251 K HN 1.545 nan 8.250 nan 0.000 0.485 252 G N -0.666 108.072 108.800 -0.102 0.000 2.284 252 G HA2 -0.293 3.667 3.960 0.001 0.000 0.230 252 G HA3 -0.293 3.667 3.960 0.001 0.000 0.230 252 G C -0.191 174.634 174.900 -0.125 0.000 1.021 252 G CA 0.406 45.460 45.100 -0.076 0.000 0.619 252 G HN 0.366 nan 8.290 nan 0.000 0.510 253 E N 1.417 121.529 120.200 -0.147 0.000 2.266 253 E HA 0.604 4.954 4.350 0.001 0.000 0.277 253 E C 0.271 176.766 176.600 -0.175 0.000 1.018 253 E CA -0.393 55.913 56.400 -0.156 0.000 0.840 253 E CB 0.882 30.506 29.700 -0.128 0.000 1.082 253 E HN 0.371 nan 8.360 nan 0.000 0.395 254 K N 1.249 121.522 120.400 -0.212 0.000 2.368 254 K HA 0.112 4.433 4.320 0.001 0.000 0.282 254 K C 0.440 177.003 176.600 -0.061 0.000 1.035 254 K CA -0.021 56.151 56.287 -0.191 0.000 0.973 254 K CB 0.652 32.845 32.500 -0.512 0.000 0.957 254 K HN 0.424 nan 8.250 nan 0.000 0.474 255 V N 0.592 120.538 119.914 0.054 0.000 3.485 255 V HA 0.313 4.434 4.120 0.001 0.000 0.280 255 V C -0.328 175.847 176.094 0.136 0.000 1.495 255 V CA -0.436 61.901 62.300 0.062 0.000 1.018 255 V CB 0.168 31.994 31.823 0.006 0.000 0.818 255 V HN 0.509 nan 8.190 nan 0.000 0.436 256 L N 1.755 123.113 121.223 0.225 0.000 2.847 256 L HA 0.505 4.846 4.340 0.001 0.000 0.261 256 L C -1.065 175.789 176.870 -0.028 0.000 0.926 256 L CA -0.106 54.806 54.840 0.120 0.000 1.010 256 L CB 1.801 43.882 42.059 0.036 0.000 1.538 256 L HN 0.208 nan 8.230 nan 0.000 0.465 257 N N 2.923 121.407 118.700 -0.359 0.000 2.483 257 N HA 0.093 4.834 4.740 0.001 0.000 0.264 257 N C 1.354 176.562 175.510 -0.502 0.000 1.197 257 N CA 0.598 53.072 53.050 -0.960 0.000 0.927 257 N CB 1.717 39.534 38.487 -1.117 0.000 1.065 257 N HN 0.628 nan 8.380 nan 0.000 0.461 258 V N 2.856 122.462 119.914 -0.514 0.000 2.469 258 V HA -0.207 3.913 4.120 0.001 0.000 0.251 258 V C 1.896 177.875 176.094 -0.191 0.000 1.064 258 V CA 1.480 63.575 62.300 -0.342 0.000 1.066 258 V CB -0.660 30.807 31.823 -0.594 0.000 0.667 258 V HN 0.611 nan 8.190 nan 0.000 0.461 259 K N 0.448 120.654 120.400 -0.323 0.000 2.442 259 K HA -0.151 4.169 4.320 0.001 0.000 0.200 259 K C 1.891 178.449 176.600 -0.069 0.000 1.045 259 K CA 1.672 57.801 56.287 -0.263 0.000 0.937 259 K CB -0.215 32.017 32.500 -0.447 0.000 0.757 259 K HN 0.683 nan 8.250 nan 0.000 0.474 260 E N -0.059 120.091 120.200 -0.083 0.000 2.489 260 E HA 0.049 4.399 4.350 0.001 0.000 0.193 260 E C 0.302 176.924 176.600 0.036 0.000 1.057 260 E CA 0.051 56.441 56.400 -0.017 0.000 0.866 260 E CB 0.231 29.909 29.700 -0.036 0.000 0.916 260 E HN 0.278 nan 8.360 nan 0.000 0.500 261 M N 0.255 119.890 119.600 0.059 0.000 2.368 261 M HA 0.189 4.670 4.480 0.001 0.000 0.311 261 M C 1.123 177.496 176.300 0.121 0.000 1.168 261 M CA -0.359 55.000 55.300 0.099 0.000 1.044 261 M CB 1.063 33.737 32.600 0.123 0.000 1.506 261 M HN -0.264 nan 8.290 nan 0.000 0.475 262 K N 0.746 121.222 120.400 0.126 0.000 2.284 262 K HA 0.315 4.635 4.320 0.001 0.000 0.198 262 K C 0.284 176.977 176.600 0.156 0.000 1.048 262 K CA 0.598 56.969 56.287 0.140 0.000 0.987 262 K CB 0.175 32.746 32.500 0.118 0.000 0.800 262 K HN 0.568 nan 8.250 nan 0.000 0.486 263 L N 1.780 123.046 121.223 0.073 0.000 2.305 263 L HA 0.198 4.539 4.340 0.001 0.000 0.281 263 L C 0.515 177.165 176.870 -0.368 0.000 1.085 263 L CA -0.183 54.558 54.840 -0.165 0.000 0.813 263 L CB 1.305 43.300 42.059 -0.107 0.000 1.157 263 L HN 0.001 nan 8.230 nan 0.000 0.436 264 S N 1.619 116.812 115.700 -0.845 0.000 2.715 264 S HA 0.936 5.407 4.470 0.001 0.000 0.307 264 S C -0.352 173.621 174.600 -1.045 0.000 1.119 264 S CA 0.227 57.997 58.200 -0.716 0.000 0.937 264 S CB 1.996 65.068 63.200 -0.213 0.000 1.150 264 S HN 1.062 nan 8.310 nan 0.000 0.521 265 G N 1.397 109.663 108.800 -0.890 0.000 2.697 265 G HA2 -0.109 3.851 3.960 0.001 0.000 0.686 265 G HA3 -0.109 3.851 3.960 0.001 0.000 0.686 265 G C 0.071 174.506 174.900 -0.775 0.000 1.179 265 G CA 0.223 44.952 45.100 -0.618 0.000 0.765 265 G HN 0.804 nan 8.290 nan 0.000 0.649 266 Q N -0.021 119.629 119.800 -0.250 0.000 2.050 266 Q HA -0.216 4.124 4.340 0.001 0.000 0.202 266 Q C 2.183 178.174 176.000 -0.014 0.000 0.980 266 Q CA 2.315 58.136 55.803 0.030 0.000 0.840 266 Q CB -0.184 28.628 28.738 0.123 0.000 0.898 266 Q HN 0.927 nan 8.270 nan 0.000 0.424 267 H N 0.810 119.810 119.070 -0.116 0.000 2.289 267 H HA -0.163 4.394 4.556 0.001 0.000 0.294 267 H C 1.675 176.940 175.328 -0.105 0.000 1.095 267 H CA 2.461 58.464 56.048 -0.074 0.000 1.256 267 H CB -0.175 29.536 29.762 -0.085 0.000 1.359 267 H HN 0.332 nan 8.280 nan 0.000 0.487 268 N N -0.569 117.884 118.700 -0.412 0.000 2.244 268 N HA -0.141 4.599 4.740 0.001 0.000 0.183 268 N C 1.596 176.960 175.510 -0.242 0.000 1.016 268 N CA 1.191 53.990 53.050 -0.418 0.000 0.866 268 N CB -0.382 37.813 38.487 -0.488 0.000 0.980 268 N HN 0.455 nan 8.380 nan 0.000 0.430 269 Y N 1.347 121.568 120.300 -0.131 0.000 2.242 269 Y HA -0.088 4.463 4.550 0.002 0.000 0.291 269 Y C 2.703 178.568 175.900 -0.057 0.000 1.137 269 Y CA 1.169 59.226 58.100 -0.072 0.000 1.181 269 Y CB -1.285 37.160 38.460 -0.025 0.000 0.989 269 Y HN 0.154 nan 8.280 nan 0.000 0.527 270 T N -2.056 112.557 114.554 0.099 0.000 2.857 270 T HA -0.130 4.221 4.350 0.001 0.000 0.266 270 T C 1.707 176.315 174.700 -0.154 0.000 1.048 270 T CA 1.261 63.411 62.100 0.084 0.000 1.139 270 T CB -0.432 68.556 68.868 0.199 0.000 0.874 270 T HN 0.214 nan 8.240 nan 0.000 0.455 271 N N 2.393 120.949 118.700 -0.240 0.000 2.104 271 N HA -0.014 4.726 4.740 0.001 0.000 0.190 271 N C 2.282 177.637 175.510 -0.258 0.000 1.024 271 N CA 1.622 54.488 53.050 -0.307 0.000 0.853 271 N CB -0.838 37.460 38.487 -0.315 0.000 1.008 271 N HN 0.590 nan 8.380 nan 0.000 0.424 272 A N 1.578 124.309 122.820 -0.149 0.000 1.858 272 A HA -0.080 4.241 4.320 0.001 0.000 0.216 272 A C 2.456 179.977 177.584 -0.103 0.000 1.190 272 A CA 1.027 53.005 52.037 -0.098 0.000 0.617 272 A CB -0.906 18.099 19.000 0.010 0.000 0.827 272 A HN 0.215 nan 8.150 nan 0.000 0.443 273 L N -0.739 120.449 121.223 -0.058 0.000 2.013 273 L HA -0.275 4.066 4.340 0.001 0.000 0.212 273 L C 3.117 179.826 176.870 -0.269 0.000 1.073 273 L CA 1.331 56.167 54.840 -0.007 0.000 0.753 273 L CB -0.586 41.558 42.059 0.143 0.000 0.890 273 L HN 0.467 nan 8.230 nan 0.000 0.432 274 A N -0.293 122.175 122.820 -0.586 0.000 1.933 274 A HA -0.146 4.174 4.320 0.001 0.000 0.218 274 A C 2.469 179.769 177.584 -0.472 0.000 1.175 274 A CA 1.744 53.264 52.037 -0.861 0.000 0.628 274 A CB -0.650 17.597 19.000 -1.254 0.000 0.814 274 A HN 0.428 nan 8.150 nan 0.000 0.444 275 A N -0.912 121.701 122.820 -0.345 0.000 1.968 275 A HA 0.125 4.445 4.320 0.001 0.000 0.217 275 A C 2.061 179.528 177.584 -0.195 0.000 1.169 275 A CA 1.446 53.335 52.037 -0.247 0.000 0.638 275 A CB -0.455 18.404 19.000 -0.236 0.000 0.812 275 A HN 0.564 nan 8.150 nan 0.000 0.446 276 L N -0.114 121.004 121.223 -0.175 0.000 2.027 276 L HA -0.011 4.329 4.340 0.001 0.000 0.206 276 L C 2.670 179.452 176.870 -0.147 0.000 1.074 276 L CA 2.157 56.958 54.840 -0.065 0.000 0.745 276 L CB -0.848 41.265 42.059 0.090 0.000 0.898 276 L HN 0.319 nan 8.230 nan 0.000 0.433 277 A N -0.569 121.926 122.820 -0.542 0.000 1.908 277 A HA -0.186 4.135 4.320 0.001 0.000 0.218 277 A C 2.275 179.684 177.584 -0.290 0.000 1.181 277 A CA 2.078 53.622 52.037 -0.822 0.000 0.627 277 A CB -0.915 17.336 19.000 -1.249 0.000 0.818 277 A HN 0.510 nan 8.150 nan 0.000 0.445 278 L N -0.954 120.136 121.223 -0.221 0.000 2.056 278 L HA -0.171 4.169 4.340 0.001 0.000 0.207 278 L C 3.133 179.963 176.870 -0.065 0.000 1.078 278 L CA 1.012 55.785 54.840 -0.110 0.000 0.749 278 L CB -0.585 41.410 42.059 -0.107 0.000 0.901 278 L HN 0.437 nan 8.230 nan 0.000 0.433 279 A N 0.018 122.795 122.820 -0.072 0.000 1.883 279 A HA -0.255 4.066 4.320 0.001 0.000 0.217 279 A C 1.935 179.519 177.584 -0.000 0.000 1.186 279 A CA 2.145 54.161 52.037 -0.034 0.000 0.624 279 A CB -0.604 18.374 19.000 -0.037 0.000 0.822 279 A HN 0.355 nan 8.150 nan 0.000 0.444 280 D N -0.001 120.413 120.400 0.023 0.000 2.097 280 D HA -0.070 4.570 4.640 0.001 0.000 0.195 280 D C 2.254 178.584 176.300 0.050 0.000 0.989 280 D CA 1.659 55.699 54.000 0.067 0.000 0.827 280 D CB -0.530 40.368 40.800 0.164 0.000 0.966 280 D HN 0.419 nan 8.370 nan 0.000 0.456 281 A N 0.874 123.714 122.820 0.032 0.000 1.940 281 A HA -0.061 4.259 4.320 0.001 0.000 0.219 281 A C 2.214 179.815 177.584 0.028 0.000 1.176 281 A CA 2.087 54.145 52.037 0.034 0.000 0.631 281 A CB -0.619 18.394 19.000 0.022 0.000 0.814 281 A HN 0.237 nan 8.150 nan 0.000 0.446 282 A N -1.963 120.868 122.820 0.018 0.000 2.209 282 A HA 0.376 4.696 4.320 0.001 0.000 0.212 282 A C 1.857 179.452 177.584 0.018 0.000 1.158 282 A CA 1.341 53.389 52.037 0.019 0.000 0.742 282 A CB -0.915 18.092 19.000 0.010 0.000 0.790 282 A HN 1.934 nan 8.150 nan 0.000 0.472 283 G N -1.606 107.206 108.800 0.020 0.000 2.141 283 G HA2 -0.195 3.766 3.960 0.001 0.000 0.231 283 G HA3 -0.195 3.766 3.960 0.001 0.000 0.231 283 G C 0.074 174.981 174.900 0.013 0.000 0.984 283 G CA 0.176 45.287 45.100 0.018 0.000 0.660 283 G HN 0.420 nan 8.290 nan 0.000 0.525 284 L N 0.801 122.029 121.223 0.010 0.000 2.436 284 L HA 0.393 4.733 4.340 0.001 0.000 0.265 284 L C -1.587 175.290 176.870 0.011 0.000 1.168 284 L CA -1.957 52.886 54.840 0.005 0.000 0.815 284 L CB 0.450 42.507 42.059 -0.002 0.000 1.109 284 L HN -0.103 nan 8.230 nan 0.000 0.462 285 P HA 0.040 nan 4.420 nan 0.000 0.267 285 P C -0.004 177.305 177.300 0.016 0.000 1.205 285 P CA -0.250 62.856 63.100 0.012 0.000 0.765 285 P CB 0.715 32.420 31.700 0.008 0.000 0.828 286 R N 5.137 125.649 120.500 0.021 0.000 2.083 286 R HA -0.182 4.159 4.340 0.001 0.000 0.237 286 R C 1.822 178.135 176.300 0.022 0.000 1.137 286 R CA 2.433 58.550 56.100 0.027 0.000 0.951 286 R CB -1.424 28.891 30.300 0.026 0.000 0.851 286 R HN 0.483 nan 8.270 nan 0.000 0.434 287 A N -0.235 122.596 122.820 0.018 0.000 1.969 287 A HA -0.122 4.198 4.320 0.001 0.000 0.218 287 A C 2.166 179.760 177.584 0.017 0.000 1.169 287 A CA 1.794 53.842 52.037 0.018 0.000 0.635 287 A CB -0.724 18.285 19.000 0.015 0.000 0.810 287 A HN 0.611 nan 8.150 nan 0.000 0.445 288 S N -0.824 114.885 115.700 0.014 0.000 2.436 288 S HA -0.039 4.431 4.470 0.001 0.000 0.228 288 S C 1.921 176.526 174.600 0.009 0.000 1.014 288 S CA 1.193 59.400 58.200 0.012 0.000 0.950 288 S CB -0.325 62.880 63.200 0.008 0.000 0.784 288 S HN 0.400 nan 8.310 nan 0.000 0.504 289 S N 2.060 117.765 115.700 0.008 0.000 2.371 289 S HA 0.206 4.677 4.470 0.001 0.000 0.224 289 S C 1.765 176.368 174.600 0.005 0.000 1.029 289 S CA 0.783 58.983 58.200 -0.001 0.000 0.978 289 S CB -0.496 62.705 63.200 0.002 0.000 0.833 289 S HN 0.405 nan 8.310 nan 0.000 0.466 290 L N 1.297 122.530 121.223 0.018 0.000 2.017 290 L HA -0.161 4.179 4.340 0.001 0.000 0.208 290 L C 2.546 179.432 176.870 0.027 0.000 1.073 290 L CA 1.321 56.176 54.840 0.025 0.000 0.745 290 L CB -0.496 41.581 42.059 0.030 0.000 0.894 290 L HN 0.228 nan 8.230 nan 0.000 0.432 291 K N 0.853 121.268 120.400 0.026 0.000 2.044 291 K HA -0.213 4.108 4.320 0.001 0.000 0.210 291 K C 1.973 178.598 176.600 0.041 0.000 1.049 291 K CA 1.951 58.257 56.287 0.032 0.000 0.927 291 K CB -0.542 31.974 32.500 0.027 0.000 0.713 291 K HN 0.246 nan 8.250 nan 0.000 0.443 292 A N 0.641 123.480 122.820 0.031 0.000 1.940 292 A HA -0.112 4.208 4.320 0.001 0.000 0.219 292 A C 2.261 179.883 177.584 0.064 0.000 1.176 292 A CA 1.673 53.734 52.037 0.040 0.000 0.631 292 A CB -0.675 18.324 19.000 -0.003 0.000 0.814 292 A HN 0.366 nan 8.150 nan 0.000 0.446 293 L N -0.085 121.161 121.223 0.039 0.000 2.191 293 L HA -0.147 4.193 4.340 0.001 0.000 0.212 293 L C 2.874 179.806 176.870 0.103 0.000 1.103 293 L CA 1.756 56.632 54.840 0.060 0.000 0.769 293 L CB -0.710 41.369 42.059 0.033 0.000 0.908 293 L HN 0.702 nan 8.230 nan 0.000 0.438 294 T N -5.259 109.345 114.554 0.083 0.000 3.043 294 T HA -0.093 4.257 4.350 0.001 0.000 0.263 294 T C 1.695 176.455 174.700 0.099 0.000 1.094 294 T CA 1.101 63.250 62.100 0.082 0.000 1.127 294 T CB -0.304 68.597 68.868 0.056 0.000 0.905 294 T HN 0.399 nan 8.240 nan 0.000 0.490 295 T N -1.582 113.041 114.554 0.115 0.000 3.022 295 T HA 0.295 4.646 4.350 0.001 0.000 0.250 295 T C 0.331 175.129 174.700 0.165 0.000 1.060 295 T CA -0.710 61.460 62.100 0.116 0.000 1.013 295 T CB -0.708 68.218 68.868 0.096 0.000 0.982 295 T HN 0.216 nan 8.240 nan 0.000 0.508 296 F N 4.595 124.562 119.950 0.029 0.000 2.612 296 F HA 0.272 4.799 4.527 0.000 0.000 0.389 296 F C 1.497 177.325 175.800 0.047 0.000 1.055 296 F CA 0.116 58.133 58.000 0.029 0.000 1.232 296 F CB 0.947 39.958 39.000 0.018 0.000 1.044 296 F HN 0.235 nan 8.300 nan 0.000 0.560 297 T N 2.330 116.584 114.554 -0.499 0.000 3.054 297 T HA 0.504 4.854 4.350 0.001 0.000 0.255 297 T C 0.720 175.096 174.700 -0.539 0.000 1.035 297 T CA 0.138 62.021 62.100 -0.362 0.000 0.941 297 T CB -0.803 67.955 68.868 -0.185 0.000 1.026 297 T HN 1.393 nan 8.240 nan 0.000 0.533 298 G N 1.208 109.255 108.800 -1.256 0.000 2.712 298 G HA2 -0.061 3.899 3.960 0.001 0.000 0.686 298 G HA3 -0.061 3.899 3.960 0.001 0.000 0.686 298 G C -0.789 173.876 174.900 -0.392 0.000 1.321 298 G CA -0.774 43.858 45.100 -0.780 0.000 0.813 298 G HN 0.521 nan 8.290 nan 0.000 0.599 299 L N 1.585 122.742 121.223 -0.110 0.000 2.439 299 L HA 0.349 4.689 4.340 0.001 0.000 0.261 299 L C -1.571 175.269 176.870 -0.051 0.000 1.153 299 L CA -1.719 53.120 54.840 -0.003 0.000 0.808 299 L CB 1.071 43.195 42.059 0.108 0.000 1.126 299 L HN 0.339 nan 8.230 nan 0.000 0.460 300 P HA -0.048 nan 4.420 nan 0.000 0.260 300 P C -0.508 176.635 177.300 -0.260 0.000 1.172 300 P CA 0.712 63.635 63.100 -0.295 0.000 0.760 300 P CB 0.080 31.666 31.700 -0.190 0.000 0.773 301 H N 0.174 119.292 119.070 0.079 0.000 3.395 301 H HA -0.215 4.343 4.556 0.004 0.000 0.222 301 H C 0.002 175.305 175.328 -0.042 0.000 1.099 301 H CA 0.719 56.798 56.048 0.051 0.000 1.182 301 H CB -1.656 28.255 29.762 0.248 0.000 1.188 301 H HN 0.452 nan 8.280 nan 0.000 0.317 302 R N 0.024 120.541 120.500 0.028 0.000 2.477 302 R HA 0.266 4.607 4.340 0.001 0.000 0.285 302 R C -0.617 175.760 176.300 0.129 0.000 1.415 302 R CA -0.659 55.478 56.100 0.061 0.000 1.446 302 R CB 0.225 30.579 30.300 0.090 0.000 1.110 302 R HN 0.237 nan 8.270 nan 0.000 0.590 303 F N 1.145 121.062 119.950 -0.056 0.000 3.067 303 F HA -0.294 4.233 4.527 0.000 0.000 0.279 303 F C 0.174 175.932 175.800 -0.070 0.000 0.945 303 F CA 0.812 58.777 58.000 -0.059 0.000 0.948 303 F CB -0.445 38.529 39.000 -0.045 0.000 0.898 303 F HN 0.492 nan 8.300 nan 0.000 0.746 304 E N 1.002 121.153 120.200 -0.082 0.000 2.290 304 E HA 0.333 4.683 4.350 0.001 0.000 0.277 304 E C -0.435 176.125 176.600 -0.066 0.000 1.035 304 E CA -0.322 56.027 56.400 -0.084 0.000 0.873 304 E CB 1.283 30.914 29.700 -0.114 0.000 1.029 304 E HN 0.193 nan 8.360 nan 0.000 0.419 305 V N 7.266 127.159 119.914 -0.036 0.000 2.339 305 V HA 0.028 4.148 4.120 0.001 0.000 0.261 305 V C 1.012 177.120 176.094 0.025 0.000 1.058 305 V CA 0.044 62.354 62.300 0.017 0.000 0.897 305 V CB 0.721 32.571 31.823 0.044 0.000 1.052 305 V HN 0.693 nan 8.190 nan 0.000 0.480 306 V N 5.206 125.163 119.914 0.072 0.000 2.591 306 V HA 0.252 4.373 4.120 0.001 0.000 0.249 306 V C 0.488 176.580 176.094 -0.005 0.000 1.053 306 V CA 1.056 63.373 62.300 0.028 0.000 1.068 306 V CB -0.215 31.636 31.823 0.046 0.000 0.689 306 V HN 0.612 nan 8.190 nan 0.000 0.462 307 L N 0.364 121.622 121.223 0.058 0.000 2.526 307 L HA 0.634 4.974 4.340 0.001 0.000 0.263 307 L C -1.034 175.958 176.870 0.203 0.000 0.943 307 L CA -0.383 54.478 54.840 0.034 0.000 0.859 307 L CB 2.112 44.053 42.059 -0.196 0.000 1.313 307 L HN 0.310 nan 8.230 nan 0.000 0.406 308 E N 3.510 123.802 120.200 0.154 0.000 2.402 308 E HA 0.394 4.744 4.350 0.001 0.000 0.244 308 E C -1.755 174.971 176.600 0.211 0.000 0.945 308 E CA -0.464 56.050 56.400 0.190 0.000 0.774 308 E CB 0.568 30.343 29.700 0.124 0.000 1.296 308 E HN 0.706 nan 8.360 nan 0.000 0.414 309 H N 2.544 121.682 119.070 0.114 0.000 2.985 309 H HA 0.338 4.894 4.556 0.000 0.000 0.360 309 H C -0.475 174.909 175.328 0.094 0.000 1.221 309 H CA -0.670 55.421 56.048 0.072 0.000 1.121 309 H CB 1.047 30.826 29.762 0.027 0.000 1.854 309 H HN 0.665 nan 8.280 nan 0.000 0.551 310 N N 1.464 119.967 118.700 -0.329 0.000 2.701 310 N HA -0.268 4.472 4.740 0.001 0.000 0.250 310 N C 0.734 176.200 175.510 -0.072 0.000 1.046 310 N CA 0.804 53.686 53.050 -0.280 0.000 0.733 310 N CB -0.863 37.402 38.487 -0.370 0.000 0.973 310 N HN 1.005 nan 8.380 nan 0.000 0.541 311 G N -1.660 107.144 108.800 0.005 0.000 2.189 311 G HA2 -0.340 3.620 3.960 0.001 0.000 0.267 311 G HA3 -0.340 3.620 3.960 0.001 0.000 0.267 311 G C 0.220 175.130 174.900 0.017 0.000 0.975 311 G CA 0.634 45.746 45.100 0.019 0.000 0.644 311 G HN 1.051 nan 8.290 nan 0.000 0.537 312 V N -2.441 117.494 119.914 0.034 0.000 2.532 312 V HA 0.866 4.986 4.120 0.001 0.000 0.295 312 V C 0.194 176.329 176.094 0.069 0.000 1.041 312 V CA -1.126 61.169 62.300 -0.008 0.000 0.926 312 V CB 1.812 33.578 31.823 -0.095 0.000 0.992 312 V HN 0.450 nan 8.190 nan 0.000 0.457 313 R N 3.606 124.084 120.500 -0.037 0.000 2.387 313 R HA 0.487 4.828 4.340 0.001 0.000 0.314 313 R C -1.851 174.419 176.300 -0.050 0.000 0.958 313 R CA -0.564 55.569 56.100 0.054 0.000 0.846 313 R CB 1.208 31.533 30.300 0.042 0.000 1.147 313 R HN 0.845 nan 8.270 nan 0.000 0.447 314 W N 6.229 127.527 121.300 -0.002 0.000 2.283 314 W HA 0.361 5.021 4.660 -0.000 0.000 0.317 314 W C -0.745 175.829 176.519 0.091 0.000 1.042 314 W CA -0.507 56.859 57.345 0.035 0.000 1.348 314 W CB 0.614 30.031 29.460 -0.072 0.000 1.216 314 W HN 0.328 nan 8.180 nan 0.000 0.404 315 I N 3.806 124.480 120.570 0.173 0.000 2.336 315 I HA 0.136 4.306 4.170 0.001 0.000 0.292 315 I C 0.143 176.157 176.117 -0.172 0.000 0.991 315 I CA -0.826 60.411 61.300 -0.106 0.000 1.227 315 I CB 0.976 38.579 38.000 -0.662 0.000 1.366 315 I HN 0.263 nan 8.210 nan 0.000 0.466 316 N N 4.502 123.123 118.700 -0.132 0.000 2.462 316 N HA 0.142 4.882 4.740 0.001 0.000 0.242 316 N C -0.495 174.834 175.510 -0.302 0.000 1.010 316 N CA -0.079 52.770 53.050 -0.336 0.000 0.939 316 N CB 0.704 39.215 38.487 0.041 0.000 1.127 316 N HN 0.482 nan 8.380 nan 0.000 0.509 317 D N 1.606 121.781 120.400 -0.374 0.000 2.670 317 D HA 0.254 4.894 4.640 0.001 0.000 0.255 317 D C 0.729 176.907 176.300 -0.203 0.000 1.286 317 D CA -0.066 53.793 54.000 -0.235 0.000 0.830 317 D CB 0.266 40.927 40.800 -0.231 0.000 1.065 317 D HN 0.390 nan 8.370 nan 0.000 0.486 318 S N 0.204 115.805 115.700 -0.165 0.000 2.400 318 S HA -0.276 4.194 4.470 0.001 0.000 0.234 318 S C 1.804 176.201 174.600 -0.338 0.000 1.049 318 S CA 1.427 59.545 58.200 -0.138 0.000 1.039 318 S CB -0.063 63.175 63.200 0.064 0.000 0.856 318 S HN 0.295 nan 8.310 nan 0.000 0.465 319 K N 2.097 122.147 120.400 -0.583 0.000 2.173 319 K HA -0.037 4.284 4.320 0.001 0.000 0.207 319 K C 0.592 176.882 176.600 -0.516 0.000 1.046 319 K CA 1.119 56.794 56.287 -1.020 0.000 0.929 319 K CB -0.537 31.580 32.500 -0.639 0.000 0.720 319 K HN 0.304 nan 8.250 nan 0.000 0.453 320 A N 1.077 123.720 122.820 -0.295 0.000 2.489 320 A HA 0.102 4.422 4.320 0.001 0.000 0.289 320 A C 0.309 177.805 177.584 -0.148 0.000 1.216 320 A CA 0.558 52.488 52.037 -0.178 0.000 0.883 320 A CB -0.555 18.368 19.000 -0.129 0.000 1.110 320 A HN 0.441 nan 8.150 nan 0.000 0.523 321 T N -0.568 113.915 114.554 -0.118 0.000 3.296 321 T HA 0.424 4.774 4.350 0.001 0.000 0.285 321 T C -0.304 174.392 174.700 -0.006 0.000 1.014 321 T CA -0.130 61.938 62.100 -0.053 0.000 0.920 321 T CB -1.137 67.707 68.868 -0.040 0.000 1.143 321 T HN 0.944 nan 8.240 nan 0.000 0.522 322 N N -1.894 116.805 118.700 -0.003 0.000 3.171 322 N HA 0.300 5.040 4.740 0.001 0.000 0.239 322 N C 0.287 175.827 175.510 0.051 0.000 1.275 322 N CA -0.922 52.150 53.050 0.038 0.000 0.920 322 N CB 0.839 39.332 38.487 0.010 0.000 1.554 322 N HN -0.193 nan 8.380 nan 0.000 0.504 323 V N 0.641 120.619 119.914 0.106 0.000 2.453 323 V HA -0.180 3.940 4.120 0.001 0.000 0.252 323 V C 2.336 178.470 176.094 0.065 0.000 1.068 323 V CA 2.534 64.909 62.300 0.125 0.000 1.070 323 V CB -1.215 30.700 31.823 0.152 0.000 0.664 323 V HN 0.923 nan 8.190 nan 0.000 0.461 324 G N -0.860 107.958 108.800 0.029 0.000 2.402 324 G HA2 -0.214 3.746 3.960 0.001 0.000 0.216 324 G HA3 -0.214 3.746 3.960 0.001 0.000 0.216 324 G C 1.828 176.710 174.900 -0.030 0.000 1.162 324 G CA 1.102 46.205 45.100 0.006 0.000 0.777 324 G HN 0.527 nan 8.290 nan 0.000 0.539 325 S N 0.257 115.928 115.700 -0.048 0.000 2.345 325 S HA -0.103 4.367 4.470 0.001 0.000 0.220 325 S C 2.517 177.079 174.600 -0.064 0.000 1.031 325 S CA 1.665 59.813 58.200 -0.087 0.000 0.996 325 S CB -0.551 62.589 63.200 -0.100 0.000 0.882 325 S HN 0.394 nan 8.310 nan 0.000 0.445 326 T N 1.520 116.052 114.554 -0.036 0.000 2.881 326 T HA -0.115 4.235 4.350 0.001 0.000 0.270 326 T C 1.746 176.423 174.700 -0.038 0.000 1.068 326 T CA 1.291 63.373 62.100 -0.030 0.000 1.131 326 T CB -0.221 68.637 68.868 -0.016 0.000 0.871 326 T HN 0.548 nan 8.240 nan 0.000 0.479 327 E N 0.515 120.704 120.200 -0.019 0.000 2.208 327 E HA 0.008 4.359 4.350 0.001 0.000 0.193 327 E C 2.276 178.785 176.600 -0.151 0.000 0.988 327 E CA 0.708 57.080 56.400 -0.047 0.000 0.828 327 E CB -0.124 29.638 29.700 0.103 0.000 0.763 327 E HN 0.480 nan 8.360 nan 0.000 0.478 328 A N 1.021 123.785 122.820 -0.093 0.000 1.968 328 A HA 0.012 4.333 4.320 0.001 0.000 0.217 328 A C 2.315 179.837 177.584 -0.102 0.000 1.169 328 A CA 1.400 53.389 52.037 -0.080 0.000 0.638 328 A CB -0.514 18.422 19.000 -0.107 0.000 0.812 328 A HN 0.395 nan 8.150 nan 0.000 0.446 329 A N -0.013 122.759 122.820 -0.079 0.000 1.854 329 A HA 0.028 4.349 4.320 0.001 0.000 0.214 329 A C 2.138 179.663 177.584 -0.098 0.000 1.192 329 A CA 1.379 53.406 52.037 -0.018 0.000 0.611 329 A CB -0.642 18.417 19.000 0.099 0.000 0.832 329 A HN 0.437 nan 8.150 nan 0.000 0.442 330 L N -0.234 120.869 121.223 -0.201 0.000 2.083 330 L HA -0.121 4.219 4.340 0.001 0.000 0.209 330 L C 1.337 177.935 176.870 -0.453 0.000 1.083 330 L CA 0.720 55.378 54.840 -0.305 0.000 0.752 330 L CB -0.654 41.171 42.059 -0.390 0.000 0.899 330 L HN 0.498 nan 8.230 nan 0.000 0.433 331 N N 0.262 118.563 118.700 -0.664 0.000 2.406 331 N HA 0.124 4.864 4.740 0.001 0.000 0.265 331 N C 0.795 176.230 175.510 -0.124 0.000 1.203 331 N CA 0.600 53.377 53.050 -0.455 0.000 0.945 331 N CB 0.296 38.572 38.487 -0.352 0.000 1.165 331 N HN 0.356 nan 8.380 nan 0.000 0.485 332 G N 2.778 111.580 108.800 0.004 0.000 2.141 332 G HA2 -0.251 3.709 3.960 0.001 0.000 0.231 332 G HA3 -0.251 3.709 3.960 0.001 0.000 0.231 332 G C -0.041 174.932 174.900 0.121 0.000 0.984 332 G CA -0.280 44.913 45.100 0.156 0.000 0.660 332 G HN 0.582 nan 8.290 nan 0.000 0.525 333 L N 2.475 123.713 121.223 0.026 0.000 2.500 333 L HA 0.387 4.727 4.340 0.001 0.000 0.272 333 L C 0.761 177.719 176.870 0.147 0.000 1.149 333 L CA -0.448 54.420 54.840 0.046 0.000 0.897 333 L CB -0.074 42.002 42.059 0.029 0.000 1.178 333 L HN 0.358 nan 8.230 nan 0.000 0.473 334 H N 5.456 124.572 119.070 0.076 0.000 2.668 334 H HA 0.510 5.066 4.556 0.001 0.000 0.303 334 H C -1.488 173.882 175.328 0.070 0.000 1.074 334 H CA -0.734 55.364 56.048 0.084 0.000 1.406 334 H CB 0.839 30.658 29.762 0.096 0.000 1.442 334 H HN 0.486 nan 8.280 nan 0.000 0.482 335 V N 6.078 125.826 119.914 -0.277 0.000 2.532 335 V HA 0.003 4.124 4.120 0.001 0.000 0.294 335 V C 0.181 176.124 176.094 -0.252 0.000 1.036 335 V CA -0.874 61.230 62.300 -0.327 0.000 0.876 335 V CB 1.556 33.306 31.823 -0.122 0.000 1.012 335 V HN 0.838 nan 8.190 nan 0.000 0.432 336 D N 3.310 123.531 120.400 -0.297 0.000 2.123 336 D HA -0.080 4.561 4.640 0.001 0.000 0.196 336 D C 1.539 177.817 176.300 -0.038 0.000 0.992 336 D CA 2.180 56.126 54.000 -0.091 0.000 0.833 336 D CB 0.267 41.037 40.800 -0.050 0.000 0.954 336 D HN 0.717 nan 8.370 nan 0.000 0.455 337 G N -1.117 107.654 108.800 -0.048 0.000 2.930 337 G HA2 0.285 4.245 3.960 0.001 0.000 0.209 337 G HA3 0.285 4.245 3.960 0.001 0.000 0.209 337 G C -0.247 174.633 174.900 -0.034 0.000 2.018 337 G CA -0.093 44.994 45.100 -0.022 0.000 0.751 337 G HN 0.112 nan 8.290 nan 0.000 0.770 338 T N 0.808 115.342 114.554 -0.033 0.000 2.823 338 T HA 0.482 4.832 4.350 0.001 0.000 0.279 338 T C -0.987 173.610 174.700 -0.171 0.000 0.998 338 T CA -0.270 61.760 62.100 -0.116 0.000 0.994 338 T CB 2.002 70.772 68.868 -0.164 0.000 0.960 338 T HN 0.372 nan 8.240 nan 0.000 0.448 339 L N 4.125 125.224 121.223 -0.206 0.000 2.261 339 L HA 0.320 4.660 4.340 0.001 0.000 0.289 339 L C -0.213 176.511 176.870 -0.243 0.000 1.059 339 L CA -0.108 54.641 54.840 -0.152 0.000 0.816 339 L CB -0.086 41.930 42.059 -0.072 0.000 1.191 339 L HN 0.652 nan 8.230 nan 0.000 0.431 340 H N 6.354 125.389 119.070 -0.058 0.000 2.820 340 H HA 0.170 4.727 4.556 0.000 0.000 0.248 340 H C -0.407 174.905 175.328 -0.027 0.000 1.714 340 H CA -0.749 55.287 56.048 -0.021 0.000 1.334 340 H CB 0.613 30.207 29.762 -0.281 0.000 1.693 340 H HN 0.486 nan 8.280 nan 0.000 0.548 341 L N 3.475 124.763 121.223 0.108 0.000 2.500 341 L HA 0.066 4.406 4.340 0.001 0.000 0.272 341 L C -0.396 176.560 176.870 0.143 0.000 1.149 341 L CA 0.115 55.001 54.840 0.075 0.000 0.897 341 L CB 0.127 42.212 42.059 0.042 0.000 1.178 341 L HN 0.404 nan 8.230 nan 0.000 0.473 342 L N 7.098 128.384 121.223 0.105 0.000 2.261 342 L HA 0.362 4.702 4.340 0.001 0.000 0.289 342 L C -0.482 176.454 176.870 0.111 0.000 1.059 342 L CA -0.158 54.810 54.840 0.214 0.000 0.816 342 L CB 0.485 42.704 42.059 0.267 0.000 1.191 342 L HN 0.541 nan 8.230 nan 0.000 0.431 343 L N 3.470 124.700 121.223 0.012 0.000 2.317 343 L HA 0.866 5.207 4.340 0.001 0.000 0.281 343 L C 0.430 176.870 176.870 -0.717 0.000 1.024 343 L CA -0.406 54.281 54.840 -0.254 0.000 0.810 343 L CB 1.712 43.621 42.059 -0.250 0.000 1.240 343 L HN 0.677 nan 8.230 nan 0.000 0.427 344 G N 0.530 108.800 108.800 -0.883 0.000 2.548 344 G HA2 0.625 4.586 3.960 0.001 0.000 0.301 344 G HA3 0.625 4.586 3.960 0.001 0.000 0.301 344 G C -0.533 174.050 174.900 -0.529 0.000 1.349 344 G CA -0.015 44.248 45.100 -1.396 0.000 0.792 344 G HN 0.965 nan 8.290 nan 0.000 0.481 345 G N -0.459 108.189 108.800 -0.254 0.000 2.741 345 G HA2 0.247 4.207 3.960 0.001 0.000 0.222 345 G HA3 0.247 4.207 3.960 0.001 0.000 0.222 345 G C -0.528 174.385 174.900 0.022 0.000 1.364 345 G CA 0.509 45.628 45.100 0.032 0.000 0.866 345 G HN 1.500 nan 8.290 nan 0.000 0.555 346 D N 0.232 120.676 120.400 0.074 0.000 2.347 346 D HA 0.534 5.174 4.640 0.001 0.000 0.235 346 D C 1.394 177.750 176.300 0.094 0.000 1.149 346 D CA 0.858 54.904 54.000 0.076 0.000 0.850 346 D CB 0.598 41.443 40.800 0.074 0.000 1.061 346 D HN 0.904 nan 8.370 nan 0.000 0.487 347 G N 3.053 111.938 108.800 0.142 0.000 2.920 347 G HA2 -0.099 3.861 3.960 0.001 0.000 0.208 347 G HA3 -0.099 3.861 3.960 0.001 0.000 0.208 347 G C 0.294 175.255 174.900 0.103 0.000 1.159 347 G CA -0.336 44.897 45.100 0.222 0.000 0.784 347 G HN 0.707 nan 8.290 nan 0.000 0.535 348 K N 0.168 120.607 120.400 0.064 0.000 3.257 348 K HA -0.185 4.135 4.320 0.001 0.000 0.270 348 K C 0.472 177.060 176.600 -0.019 0.000 0.984 348 K CA 0.365 56.665 56.287 0.021 0.000 0.739 348 K CB -2.015 30.495 32.500 0.017 0.000 1.351 348 K HN 0.257 nan 8.250 nan 0.000 0.463 349 S N -1.842 113.842 115.700 -0.027 0.000 3.436 349 S HA -0.165 4.305 4.470 0.001 0.000 0.393 349 S C 0.057 174.556 174.600 -0.169 0.000 0.914 349 S CA 0.687 58.839 58.200 -0.081 0.000 1.317 349 S CB -0.804 62.364 63.200 -0.052 0.000 0.920 349 S HN 0.747 nan 8.310 nan 0.000 0.564 350 A N 0.986 123.608 122.820 -0.331 0.000 2.356 350 A HA 0.699 5.020 4.320 0.001 0.000 0.323 350 A C -0.223 176.877 177.584 -0.807 0.000 1.119 350 A CA -0.756 50.996 52.037 -0.474 0.000 0.790 350 A CB 0.933 19.694 19.000 -0.397 0.000 1.273 350 A HN 0.420 nan 8.150 nan 0.000 0.452 351 D N 1.009 121.100 120.400 -0.514 0.000 2.393 351 D HA 0.363 5.003 4.640 0.001 0.000 0.232 351 D C -0.189 175.917 176.300 -0.323 0.000 1.192 351 D CA -0.143 53.621 54.000 -0.394 0.000 0.882 351 D CB -0.248 40.444 40.800 -0.179 0.000 1.038 351 D HN 0.275 nan 8.370 nan 0.000 0.499 352 F N 1.957 121.903 119.950 -0.008 0.000 2.748 352 F HA 0.007 4.533 4.527 -0.001 0.000 0.299 352 F C 2.613 178.412 175.800 -0.001 0.000 1.154 352 F CA 0.026 58.025 58.000 -0.003 0.000 1.446 352 F CB -0.734 38.261 39.000 -0.008 0.000 1.112 352 F HN 0.388 nan 8.300 nan 0.000 0.584 353 S N 1.216 116.979 115.700 0.105 0.000 2.400 353 S HA -0.192 4.279 4.470 0.001 0.000 0.234 353 S C -0.356 174.267 174.600 0.038 0.000 1.049 353 S CA 1.733 59.965 58.200 0.053 0.000 1.039 353 S CB -1.038 62.166 63.200 0.008 0.000 0.856 353 S HN 0.180 nan 8.310 nan 0.000 0.465 354 P HA 0.027 nan 4.420 nan 0.000 0.222 354 P C 1.259 178.605 177.300 0.077 0.000 1.147 354 P CA 0.756 63.880 63.100 0.040 0.000 0.790 354 P CB -0.064 31.677 31.700 0.068 0.000 0.780 355 L N -1.155 120.156 121.223 0.146 0.000 2.072 355 L HA -0.086 4.254 4.340 0.001 0.000 0.205 355 L C 2.490 179.439 176.870 0.132 0.000 1.079 355 L CA 1.180 56.146 54.840 0.210 0.000 0.752 355 L CB -1.275 40.886 42.059 0.170 0.000 0.906 355 L HN -0.061 nan 8.230 nan 0.000 0.436 356 A N 0.781 123.635 122.820 0.057 0.000 1.896 356 A HA -0.300 4.020 4.320 0.001 0.000 0.220 356 A C 2.282 179.839 177.584 -0.045 0.000 1.206 356 A CA 2.125 54.170 52.037 0.013 0.000 0.647 356 A CB -0.743 18.259 19.000 0.004 0.000 0.828 356 A HN 0.393 nan 8.150 nan 0.000 0.455 357 R N -2.131 118.272 120.500 -0.160 0.000 2.316 357 R HA -0.165 4.175 4.340 0.001 0.000 0.232 357 R C 0.820 176.932 176.300 -0.314 0.000 1.137 357 R CA 1.396 57.327 56.100 -0.282 0.000 1.012 357 R CB -0.357 29.675 30.300 -0.446 0.000 0.859 357 R HN 0.729 nan 8.270 nan 0.000 0.474 358 Y N -0.354 119.955 120.300 0.014 0.000 2.458 358 Y HA 0.213 4.764 4.550 0.000 0.000 0.256 358 Y C 0.697 176.602 175.900 0.007 0.000 1.159 358 Y CA -0.047 58.061 58.100 0.014 0.000 1.261 358 Y CB 0.532 39.003 38.460 0.020 0.000 1.119 358 Y HN -0.095 nan 8.280 nan 0.000 0.524 359 L N 1.829 123.112 121.223 0.101 0.000 3.030 359 L HA 0.338 4.678 4.340 0.001 0.000 0.252 359 L C -0.263 176.621 176.870 0.023 0.000 1.316 359 L CA -0.485 54.390 54.840 0.058 0.000 0.975 359 L CB -0.463 41.621 42.059 0.042 0.000 1.357 359 L HN 0.103 nan 8.230 nan 0.000 0.534 360 N N -0.514 118.200 118.700 0.024 0.000 2.966 360 N HA 0.473 5.213 4.740 0.001 0.000 0.314 360 N C 0.377 175.893 175.510 0.010 0.000 1.397 360 N CA -0.245 52.810 53.050 0.008 0.000 0.776 360 N CB 1.169 39.655 38.487 -0.001 0.000 1.576 360 N HN 0.109 nan 8.380 nan 0.000 0.592 361 G N 1.008 109.811 108.800 0.005 0.000 2.387 361 G HA2 -0.253 3.707 3.960 0.001 0.000 0.270 361 G HA3 -0.253 3.707 3.960 0.001 0.000 0.270 361 G C 0.345 175.246 174.900 0.002 0.000 0.957 361 G CA 0.937 46.041 45.100 0.006 0.000 1.352 361 G HN 1.254 nan 8.290 nan 0.000 0.457 362 D N -0.392 120.006 120.400 -0.004 0.000 3.702 362 D HA -0.285 4.356 4.640 0.001 0.000 0.180 362 D C 0.834 177.124 176.300 -0.016 0.000 1.413 362 D CA 1.941 55.936 54.000 -0.009 0.000 0.772 362 D CB -0.296 40.501 40.800 -0.005 0.000 0.864 362 D HN 0.535 nan 8.370 nan 0.000 0.410 363 N N -0.405 118.284 118.700 -0.018 0.000 2.389 363 N HA 0.206 4.946 4.740 0.001 0.000 0.260 363 N C -0.779 174.694 175.510 -0.061 0.000 1.191 363 N CA -0.127 52.904 53.050 -0.033 0.000 0.885 363 N CB 1.249 39.726 38.487 -0.017 0.000 1.162 363 N HN 0.150 nan 8.380 nan 0.000 0.512 364 V N 0.514 120.390 119.914 -0.063 0.000 2.962 364 V HA 0.573 4.694 4.120 0.001 0.000 0.313 364 V C -0.241 175.799 176.094 -0.088 0.000 1.099 364 V CA -0.855 61.400 62.300 -0.075 0.000 0.971 364 V CB 3.007 34.812 31.823 -0.029 0.000 1.028 364 V HN 0.013 nan 8.190 nan 0.000 0.430 365 R N 2.935 123.384 120.500 -0.085 0.000 2.508 365 R HA 0.556 4.896 4.340 0.001 0.000 0.283 365 R C -1.649 174.691 176.300 0.067 0.000 1.120 365 R CA -0.457 55.615 56.100 -0.047 0.000 0.958 365 R CB 1.869 32.168 30.300 -0.001 0.000 1.215 365 R HN 0.646 nan 8.270 nan 0.000 0.427 366 L N 2.789 123.984 121.223 -0.047 0.000 2.343 366 L HA 0.554 4.895 4.340 0.001 0.000 0.275 366 L C -0.600 176.214 176.870 -0.093 0.000 1.056 366 L CA -0.883 53.983 54.840 0.043 0.000 0.804 366 L CB 0.782 42.833 42.059 -0.014 0.000 1.203 366 L HN 0.459 nan 8.230 nan 0.000 0.440 367 Y N 0.597 120.942 120.300 0.074 0.000 2.628 367 Y HA 0.287 4.837 4.550 0.000 0.000 0.354 367 Y C -0.274 175.731 175.900 0.175 0.000 1.061 367 Y CA -0.842 57.333 58.100 0.126 0.000 1.251 367 Y CB 1.171 39.725 38.460 0.157 0.000 1.098 367 Y HN 0.498 nan 8.280 nan 0.000 0.626 368 C N 3.962 123.372 119.300 0.183 0.000 2.536 368 C HA 0.724 5.184 4.460 0.001 0.000 0.396 368 C C 0.323 175.445 174.990 0.220 0.000 1.279 368 C CA -0.562 58.516 59.018 0.099 0.000 2.148 368 C CB -1.379 26.345 27.740 -0.027 0.000 2.584 368 C HN 0.758 nan 8.230 nan 0.000 0.579 369 F N -0.331 119.650 119.950 0.052 0.000 3.049 369 F HA 0.908 5.434 4.527 -0.002 0.000 0.329 369 F C 0.386 176.221 175.800 0.058 0.000 1.208 369 F CA -0.076 57.963 58.000 0.066 0.000 0.956 369 F CB 0.266 39.327 39.000 0.102 0.000 1.469 369 F HN 1.149 nan 8.300 nan 0.000 0.516 370 G N 0.673 109.705 108.800 0.388 0.000 2.804 370 G HA2 -0.280 3.680 3.960 0.001 0.000 0.230 370 G HA3 -0.280 3.680 3.960 0.001 0.000 0.230 370 G C 0.348 175.296 174.900 0.080 0.000 1.386 370 G CA 0.489 45.712 45.100 0.203 0.000 0.875 370 G HN 1.257 nan 8.290 nan 0.000 0.557 371 R N -0.429 120.109 120.500 0.064 0.000 2.115 371 R HA -0.117 4.223 4.340 0.001 0.000 0.239 371 R C 1.566 177.886 176.300 0.034 0.000 1.133 371 R CA 2.483 58.612 56.100 0.048 0.000 0.935 371 R CB -0.286 30.045 30.300 0.051 0.000 0.853 371 R HN 0.603 nan 8.270 nan 0.000 0.433 372 D N -0.872 119.539 120.400 0.018 0.000 2.395 372 D HA 0.065 4.705 4.640 0.001 0.000 0.226 372 D C 1.097 177.378 176.300 -0.031 0.000 1.146 372 D CA 0.458 54.475 54.000 0.029 0.000 0.830 372 D CB 0.691 41.552 40.800 0.101 0.000 0.958 372 D HN 0.532 nan 8.370 nan 0.000 0.501 373 G N 1.594 110.366 108.800 -0.047 0.000 2.440 373 G HA2 -0.297 3.663 3.960 0.001 0.000 0.218 373 G HA3 -0.297 3.663 3.960 0.001 0.000 0.218 373 G C 1.743 176.622 174.900 -0.034 0.000 1.154 373 G CA 0.959 46.019 45.100 -0.067 0.000 0.767 373 G HN 0.361 nan 8.290 nan 0.000 0.552 374 A N 0.627 123.448 122.820 0.002 0.000 1.892 374 A HA -0.187 4.133 4.320 0.001 0.000 0.218 374 A C 2.364 179.955 177.584 0.011 0.000 1.188 374 A CA 2.156 54.200 52.037 0.011 0.000 0.631 374 A CB -0.554 18.459 19.000 0.023 0.000 0.822 374 A HN 0.501 nan 8.150 nan 0.000 0.447 375 Q N -0.510 119.309 119.800 0.031 0.000 1.993 375 Q HA -0.141 4.199 4.340 0.001 0.000 0.202 375 Q C 2.206 178.235 176.000 0.049 0.000 0.984 375 Q CA 1.604 57.454 55.803 0.078 0.000 0.837 375 Q CB -0.420 28.423 28.738 0.175 0.000 0.902 375 Q HN 0.668 nan 8.270 nan 0.000 0.423 376 L N 0.547 121.723 121.223 -0.078 0.000 2.012 376 L HA -0.223 4.118 4.340 0.001 0.000 0.210 376 L C 2.628 179.438 176.870 -0.100 0.000 1.073 376 L CA 1.084 55.792 54.840 -0.219 0.000 0.748 376 L CB -0.752 41.046 42.059 -0.435 0.000 0.891 376 L HN 0.244 nan 8.230 nan 0.000 0.431 377 A N 0.133 122.909 122.820 -0.073 0.000 1.917 377 A HA -0.288 4.032 4.320 0.001 0.000 0.219 377 A C 2.520 180.089 177.584 -0.025 0.000 1.182 377 A CA 2.105 54.115 52.037 -0.044 0.000 0.633 377 A CB -0.888 18.096 19.000 -0.026 0.000 0.819 377 A HN 0.442 nan 8.150 nan 0.000 0.448 378 A N -0.795 122.022 122.820 -0.006 0.000 1.978 378 A HA -0.060 4.260 4.320 0.001 0.000 0.220 378 A C 1.935 179.527 177.584 0.013 0.000 1.170 378 A CA 1.583 53.625 52.037 0.009 0.000 0.636 378 A CB -0.612 18.404 19.000 0.027 0.000 0.810 378 A HN 0.751 nan 8.150 nan 0.000 0.448 379 L N -1.211 120.022 121.223 0.017 0.000 2.563 379 L HA -0.079 4.261 4.340 0.001 0.000 0.230 379 L C 1.075 177.949 176.870 0.007 0.000 1.162 379 L CA 1.906 56.761 54.840 0.026 0.000 0.812 379 L CB -0.469 41.600 42.059 0.017 0.000 0.935 379 L HN 0.524 nan 8.230 nan 0.000 0.451 380 R N -1.722 118.775 120.500 -0.005 0.000 2.261 380 R HA -0.003 4.337 4.340 0.001 0.000 0.201 380 R C -2.235 174.051 176.300 -0.023 0.000 0.968 380 R CA 0.080 56.173 56.100 -0.012 0.000 0.747 380 R CB 0.077 30.369 30.300 -0.013 0.000 1.450 380 R HN -0.075 nan 8.270 nan 0.000 0.302 381 P HA -0.251 nan 4.420 nan 0.000 0.217 381 P C 0.912 178.192 177.300 -0.033 0.000 1.148 381 P CA 1.567 64.652 63.100 -0.025 0.000 0.828 381 P CB 0.423 32.114 31.700 -0.015 0.000 0.783 382 E N 1.649 121.832 120.200 -0.028 0.000 2.055 382 E HA -0.213 4.138 4.350 0.001 0.000 0.209 382 E C 1.712 178.285 176.600 -0.045 0.000 1.036 382 E CA 2.865 59.247 56.400 -0.030 0.000 0.849 382 E CB -1.436 28.250 29.700 -0.023 0.000 0.767 382 E HN 0.225 nan 8.360 nan 0.000 0.461 383 V N -2.127 117.755 119.914 -0.053 0.000 3.647 383 V HA 0.522 4.643 4.120 0.001 0.000 0.279 383 V C 1.161 177.181 176.094 -0.123 0.000 1.314 383 V CA 0.124 62.378 62.300 -0.078 0.000 1.125 383 V CB -0.713 31.073 31.823 -0.063 0.000 0.907 383 V HN 0.466 nan 8.190 nan 0.000 0.434 384 A N 0.977 123.735 122.820 -0.102 0.000 2.251 384 A HA 0.589 4.909 4.320 0.001 0.000 0.277 384 A C 0.304 177.785 177.584 -0.172 0.000 1.313 384 A CA 0.457 52.423 52.037 -0.119 0.000 0.813 384 A CB 0.239 19.199 19.000 -0.068 0.000 1.210 384 A HN 0.772 nan 8.150 nan 0.000 0.509 385 E N -2.438 117.682 120.200 -0.134 0.000 2.857 385 E HA 0.335 4.686 4.350 0.001 0.000 0.309 385 E C -1.387 175.200 176.600 -0.023 0.000 1.113 385 E CA -0.160 56.169 56.400 -0.119 0.000 0.906 385 E CB 0.607 30.140 29.700 -0.277 0.000 1.191 385 E HN 0.654 nan 8.360 nan 0.000 0.449 386 Q N 1.910 121.722 119.800 0.020 0.000 2.375 386 Q HA 0.788 5.128 4.340 0.001 0.000 0.271 386 Q C -1.263 174.796 176.000 0.098 0.000 1.074 386 Q CA -0.535 55.307 55.803 0.066 0.000 0.808 386 Q CB 1.908 30.671 28.738 0.042 0.000 1.327 386 Q HN 0.713 nan 8.270 nan 0.000 0.441 387 T N -1.618 113.028 114.554 0.153 0.000 2.838 387 T HA 0.310 4.660 4.350 0.001 0.000 0.292 387 T C 0.330 175.135 174.700 0.174 0.000 1.113 387 T CA -0.742 61.449 62.100 0.150 0.000 1.008 387 T CB 1.553 70.516 68.868 0.158 0.000 1.259 387 T HN 0.701 nan 8.240 nan 0.000 0.520 388 E N 0.173 120.449 120.200 0.127 0.000 2.216 388 E HA 0.089 4.440 4.350 0.001 0.000 0.192 388 E C 0.520 177.212 176.600 0.154 0.000 0.973 388 E CA 0.731 57.203 56.400 0.121 0.000 0.851 388 E CB 0.301 30.038 29.700 0.063 0.000 0.804 388 E HN 0.851 nan 8.360 nan 0.000 0.477 389 T N -2.889 111.718 114.554 0.088 0.000 2.916 389 T HA 0.273 4.623 4.350 0.001 0.000 0.292 389 T C 0.873 175.411 174.700 -0.270 0.000 1.064 389 T CA -0.775 61.319 62.100 -0.010 0.000 1.011 389 T CB 1.458 70.293 68.868 -0.054 0.000 1.152 389 T HN 0.017 nan 8.240 nan 0.000 0.510 390 M N 0.815 120.068 119.600 -0.579 0.000 2.175 390 M HA -0.057 4.423 4.480 0.001 0.000 0.264 390 M C 2.223 178.331 176.300 -0.321 0.000 1.063 390 M CA 2.007 56.735 55.300 -0.953 0.000 1.119 390 M CB -0.389 31.796 32.600 -0.692 0.000 1.377 390 M HN 0.921 nan 8.290 nan 0.000 0.415 391 E N -0.283 119.834 120.200 -0.140 0.000 2.204 391 E HA -0.252 4.098 4.350 0.001 0.000 0.195 391 E C 1.692 178.264 176.600 -0.046 0.000 0.990 391 E CA 1.147 57.510 56.400 -0.062 0.000 0.821 391 E CB -0.465 29.215 29.700 -0.034 0.000 0.750 391 E HN 0.677 nan 8.360 nan 0.000 0.477 392 Q N 0.928 120.700 119.800 -0.047 0.000 1.967 392 Q HA -0.147 4.193 4.340 0.001 0.000 0.202 392 Q C 2.482 178.503 176.000 0.034 0.000 0.985 392 Q CA 1.757 57.562 55.803 0.003 0.000 0.839 392 Q CB -0.340 28.412 28.738 0.025 0.000 0.906 392 Q HN 0.442 nan 8.270 nan 0.000 0.423 393 A N 0.595 123.443 122.820 0.047 0.000 1.927 393 A HA -0.303 4.017 4.320 0.001 0.000 0.220 393 A C 2.048 179.659 177.584 0.045 0.000 1.185 393 A CA 2.007 54.125 52.037 0.135 0.000 0.639 393 A CB -0.624 18.483 19.000 0.178 0.000 0.820 393 A HN 0.346 nan 8.150 nan 0.000 0.451 394 M N -1.298 118.305 119.600 0.005 0.000 2.180 394 M HA -0.150 4.330 4.480 0.001 0.000 0.260 394 M C 2.174 178.484 176.300 0.017 0.000 1.071 394 M CA 2.246 57.557 55.300 0.017 0.000 1.096 394 M CB -0.359 32.244 32.600 0.005 0.000 1.276 394 M HN 0.348 nan 8.290 nan 0.000 0.426 395 R N -0.052 120.455 120.500 0.011 0.000 2.241 395 R HA -0.099 4.241 4.340 0.001 0.000 0.224 395 R C 1.622 177.945 176.300 0.038 0.000 1.101 395 R CA 1.024 57.133 56.100 0.015 0.000 0.995 395 R CB -0.789 29.514 30.300 0.004 0.000 0.870 395 R HN 0.421 nan 8.270 nan 0.000 0.463 396 L N -0.276 120.987 121.223 0.067 0.000 2.446 396 L HA 0.140 4.480 4.340 0.001 0.000 0.219 396 L C 1.221 178.192 176.870 0.169 0.000 1.116 396 L CA 1.092 56.009 54.840 0.128 0.000 0.844 396 L CB 0.078 42.252 42.059 0.191 0.000 0.970 396 L HN 0.317 nan 8.230 nan 0.000 0.457 397 L N -3.351 117.890 121.223 0.030 0.000 2.537 397 L HA 0.566 4.907 4.340 0.001 0.000 0.224 397 L C 2.340 179.116 176.870 -0.157 0.000 1.065 397 L CA 1.049 55.819 54.840 -0.117 0.000 0.860 397 L CB -1.699 39.899 42.059 -0.768 0.000 1.086 397 L HN -0.075 nan 8.230 nan 0.000 0.482 398 A N 1.848 124.633 122.820 -0.060 0.000 1.940 398 A HA -0.133 4.187 4.320 0.001 0.000 0.221 398 A C 0.418 177.993 177.584 -0.016 0.000 1.190 398 A CA 2.470 54.514 52.037 0.012 0.000 0.647 398 A CB -2.189 16.852 19.000 0.067 0.000 0.821 398 A HN 0.586 nan 8.150 nan 0.000 0.457 399 P HA -0.071 nan 4.420 nan 0.000 0.231 399 P C 1.025 178.320 177.300 -0.008 0.000 1.168 399 P CA 0.724 63.824 63.100 -0.002 0.000 0.779 399 P CB -0.066 31.643 31.700 0.014 0.000 0.844 400 R N 0.346 120.834 120.500 -0.020 0.000 2.161 400 R HA 0.082 4.422 4.340 0.001 0.000 0.213 400 R C 1.232 177.498 176.300 -0.056 0.000 1.055 400 R CA 0.369 56.471 56.100 0.005 0.000 0.996 400 R CB -0.688 29.669 30.300 0.094 0.000 0.901 400 R HN 0.161 nan 8.270 nan 0.000 0.456 401 V N 1.143 120.932 119.914 -0.208 0.000 2.686 401 V HA 0.152 4.273 4.120 0.001 0.000 0.295 401 V C -0.348 175.695 176.094 -0.085 0.000 1.055 401 V CA -0.590 61.569 62.300 -0.234 0.000 1.050 401 V CB 1.142 32.703 31.823 -0.437 0.000 0.984 401 V HN 0.254 nan 8.190 nan 0.000 0.482 402 Q N 4.002 123.778 119.800 -0.040 0.000 2.544 402 Q HA 0.664 5.005 4.340 0.001 0.000 0.291 402 Q C -2.968 173.018 176.000 -0.022 0.000 1.068 402 Q CA -2.411 53.378 55.803 -0.023 0.000 0.785 402 Q CB 1.579 30.317 28.738 -0.000 0.000 1.481 402 Q HN 0.507 nan 8.270 nan 0.000 0.430 403 P HA -0.090 nan 4.420 nan 0.000 0.264 403 P C 0.592 177.886 177.300 -0.010 0.000 1.179 403 P CA 1.856 64.948 63.100 -0.014 0.000 0.763 403 P CB 0.282 31.978 31.700 -0.007 0.000 0.806 404 G N 1.437 110.229 108.800 -0.015 0.000 2.217 404 G HA2 -0.175 3.785 3.960 0.001 0.000 0.246 404 G HA3 -0.175 3.785 3.960 0.001 0.000 0.246 404 G C -0.087 174.787 174.900 -0.044 0.000 0.990 404 G CA -0.068 45.017 45.100 -0.025 0.000 0.627 404 G HN 0.537 nan 8.290 nan 0.000 0.522 405 D N 0.309 120.687 120.400 -0.037 0.000 2.329 405 D HA 0.585 5.225 4.640 0.001 0.000 0.246 405 D C 0.592 176.833 176.300 -0.098 0.000 1.111 405 D CA 0.049 54.028 54.000 -0.034 0.000 0.941 405 D CB 1.213 42.032 40.800 0.031 0.000 1.169 405 D HN 0.407 nan 8.370 nan 0.000 0.441 406 M N 1.020 120.566 119.600 -0.091 0.000 2.395 406 M HA 0.409 4.890 4.480 0.001 0.000 0.307 406 M C -1.864 174.312 176.300 -0.207 0.000 1.091 406 M CA -0.779 54.427 55.300 -0.157 0.000 0.919 406 M CB 1.728 34.274 32.600 -0.090 0.000 1.662 406 M HN -0.013 nan 8.290 nan 0.000 0.440 407 V N 5.534 125.206 119.914 -0.403 0.000 2.370 407 V HA 0.521 4.641 4.120 0.001 0.000 0.283 407 V C -0.940 175.083 176.094 -0.118 0.000 1.023 407 V CA -0.744 61.322 62.300 -0.391 0.000 0.857 407 V CB 1.338 32.587 31.823 -0.958 0.000 0.985 407 V HN 0.747 nan 8.190 nan 0.000 0.443 408 L N 6.685 127.859 121.223 -0.082 0.000 2.376 408 L HA 0.651 4.992 4.340 0.001 0.000 0.275 408 L C -0.903 175.861 176.870 -0.177 0.000 0.987 408 L CA -0.584 54.167 54.840 -0.149 0.000 0.828 408 L CB 1.641 43.610 42.059 -0.151 0.000 1.249 408 L HN 0.613 nan 8.230 nan 0.000 0.409 409 L N 4.297 125.267 121.223 -0.422 0.000 2.353 409 L HA 0.536 4.876 4.340 0.001 0.000 0.269 409 L C -0.389 176.281 176.870 -0.334 0.000 1.085 409 L CA 0.691 55.255 54.840 -0.460 0.000 0.938 409 L CB 0.710 42.100 42.059 -1.115 0.000 1.312 409 L HN 0.690 nan 8.230 nan 0.000 0.429 410 S N 5.687 121.272 115.700 -0.191 0.000 2.257 410 S HA 0.320 4.791 4.470 0.001 0.000 0.191 410 S C -1.625 172.899 174.600 -0.126 0.000 1.386 410 S CA -0.865 57.245 58.200 -0.150 0.000 1.233 410 S CB 0.423 63.561 63.200 -0.103 0.000 1.138 410 S HN 0.502 nan 8.310 nan 0.000 0.483 411 P HA -0.340 nan 4.420 nan 0.000 0.229 411 P C 1.018 178.223 177.300 -0.159 0.000 1.152 411 P CA 2.449 65.460 63.100 -0.149 0.000 0.915 411 P CB 0.039 31.676 31.700 -0.106 0.000 0.784 412 A N -5.488 117.273 122.820 -0.098 0.000 3.420 412 A HA -0.283 4.037 4.320 0.001 0.000 0.269 412 A C 0.622 178.226 177.584 0.033 0.000 1.122 412 A CA 1.457 53.475 52.037 -0.032 0.000 1.023 412 A CB -2.426 16.537 19.000 -0.061 0.000 1.099 412 A HN 0.404 nan 8.150 nan 0.000 0.860 413 C N -2.068 117.221 119.300 -0.019 0.000 3.236 413 C HA 0.841 5.302 4.460 0.001 0.000 0.312 413 C C 1.017 176.024 174.990 0.028 0.000 1.374 413 C CA -0.537 58.501 59.018 0.033 0.000 1.455 413 C CB 1.487 29.223 27.740 -0.006 0.000 1.834 413 C HN 1.599 nan 8.230 nan 0.000 0.460 414 A N 0.856 123.713 122.820 0.062 0.000 2.280 414 A HA 0.664 4.984 4.320 0.001 0.000 0.268 414 A C 0.098 177.750 177.584 0.115 0.000 1.111 414 A CA 0.070 52.156 52.037 0.082 0.000 0.814 414 A CB 0.220 19.269 19.000 0.082 0.000 1.093 414 A HN 1.083 nan 8.150 nan 0.000 0.498 415 S N -0.418 115.374 115.700 0.153 0.000 2.707 415 S HA 0.637 5.107 4.470 0.001 0.000 0.312 415 S C -0.116 174.622 174.600 0.231 0.000 1.116 415 S CA -0.600 57.747 58.200 0.245 0.000 1.078 415 S CB -0.249 63.085 63.200 0.224 0.000 0.997 415 S HN 0.630 nan 8.310 nan 0.000 0.477 416 L N 2.936 124.287 121.223 0.212 0.000 3.188 416 L HA 0.167 4.507 4.340 0.001 0.000 0.327 416 L C 1.271 178.192 176.870 0.085 0.000 1.009 416 L CA 0.147 55.068 54.840 0.134 0.000 1.373 416 L CB -0.224 41.889 42.059 0.090 0.000 2.331 416 L HN 0.609 nan 8.230 nan 0.000 0.594 417 D N 0.842 121.292 120.400 0.083 0.000 2.351 417 D HA -0.218 4.422 4.640 0.001 0.000 0.216 417 D C 1.258 177.532 176.300 -0.044 0.000 0.968 417 D CA 1.295 55.314 54.000 0.031 0.000 0.899 417 D CB 0.010 40.838 40.800 0.048 0.000 0.907 417 D HN 0.644 nan 8.370 nan 0.000 0.514 418 Q N -2.117 117.612 119.800 -0.119 0.000 1.842 418 Q HA 0.182 4.523 4.340 0.001 0.000 0.180 418 Q C -0.755 174.844 176.000 -0.668 0.000 0.751 418 Q CA -0.384 55.177 55.803 -0.403 0.000 0.861 418 Q CB 0.074 28.489 28.738 -0.538 0.000 1.223 418 Q HN 0.187 nan 8.270 nan 0.000 0.401 419 F N 0.921 120.900 119.950 0.049 0.000 2.603 419 F HA 0.448 4.973 4.527 -0.004 0.000 0.317 419 F C 1.142 176.949 175.800 0.011 0.000 1.066 419 F CA -1.116 56.904 58.000 0.033 0.000 0.941 419 F CB 1.999 41.029 39.000 0.049 0.000 1.291 419 F HN -0.240 nan 8.300 nan 0.000 0.472 420 K N 0.830 121.347 120.400 0.196 0.000 1.984 420 K HA -0.084 4.237 4.320 0.001 0.000 0.209 420 K C -0.308 176.325 176.600 0.054 0.000 1.046 420 K CA 1.788 58.124 56.287 0.082 0.000 0.934 420 K CB 0.031 32.552 32.500 0.035 0.000 0.717 420 K HN 0.864 nan 8.250 nan 0.000 0.438 421 N N -1.972 116.736 118.700 0.013 0.000 2.825 421 N HA 0.045 4.785 4.740 0.001 0.000 0.253 421 N C 0.269 175.679 175.510 -0.167 0.000 1.426 421 N CA -0.576 52.417 53.050 -0.095 0.000 0.851 421 N CB 0.061 38.400 38.487 -0.246 0.000 1.470 421 N HN -0.010 nan 8.380 nan 0.000 0.517 422 F N -0.654 119.226 119.950 -0.116 0.000 2.373 422 F HA 0.122 4.652 4.527 0.003 0.000 0.300 422 F C 1.091 176.664 175.800 -0.379 0.000 1.080 422 F CA 0.978 58.849 58.000 -0.215 0.000 1.417 422 F CB -0.514 38.389 39.000 -0.162 0.000 1.070 422 F HN 0.537 nan 8.300 nan 0.000 0.546 423 E N 0.231 119.870 120.200 -0.934 0.000 2.285 423 E HA -0.120 4.230 4.350 0.001 0.000 0.194 423 E C 2.177 178.566 176.600 -0.353 0.000 0.997 423 E CA 0.904 56.765 56.400 -0.898 0.000 0.845 423 E CB -0.293 28.966 29.700 -0.734 0.000 0.782 423 E HN 0.704 nan 8.360 nan 0.000 0.491 424 Q N 0.266 119.932 119.800 -0.224 0.000 2.089 424 Q HA -0.045 4.295 4.340 0.001 0.000 0.195 424 Q C 2.258 178.206 176.000 -0.086 0.000 0.963 424 Q CA 0.686 56.461 55.803 -0.047 0.000 0.834 424 Q CB 0.101 28.887 28.738 0.079 0.000 0.906 424 Q HN 0.054 nan 8.270 nan 0.000 0.452 425 R N -0.315 119.963 120.500 -0.370 0.000 2.103 425 R HA -0.148 4.192 4.340 0.001 0.000 0.242 425 R C 2.001 178.158 176.300 -0.238 0.000 1.142 425 R CA 1.704 57.304 56.100 -0.833 0.000 0.960 425 R CB -0.525 29.137 30.300 -1.063 0.000 0.858 425 R HN 0.402 nan 8.270 nan 0.000 0.439 426 G N 0.107 108.879 108.800 -0.046 0.000 2.408 426 G HA2 -0.197 3.763 3.960 0.001 0.000 0.215 426 G HA3 -0.197 3.763 3.960 0.001 0.000 0.215 426 G C 1.233 176.312 174.900 0.299 0.000 1.156 426 G CA 0.301 45.540 45.100 0.232 0.000 0.793 426 G HN 0.380 nan 8.290 nan 0.000 0.535 427 N N 0.375 119.213 118.700 0.229 0.000 2.120 427 N HA -0.095 4.645 4.740 0.001 0.000 0.188 427 N C 2.118 177.700 175.510 0.121 0.000 1.024 427 N CA 1.083 54.243 53.050 0.183 0.000 0.852 427 N CB -0.036 38.529 38.487 0.130 0.000 1.003 427 N HN 0.456 nan 8.380 nan 0.000 0.424 428 E N 0.572 120.840 120.200 0.114 0.000 2.012 428 E HA -0.212 4.138 4.350 0.001 0.000 0.197 428 E C 1.778 178.431 176.600 0.088 0.000 1.007 428 E CA 1.030 57.489 56.400 0.098 0.000 0.816 428 E CB -0.345 29.448 29.700 0.153 0.000 0.762 428 E HN 0.263 nan 8.360 nan 0.000 0.451 429 F N 1.522 121.470 119.950 -0.004 0.000 2.106 429 F HA -0.363 4.164 4.527 0.000 0.000 0.299 429 F C 2.078 177.870 175.800 -0.014 0.000 1.082 429 F CA 1.873 59.874 58.000 0.002 0.000 1.244 429 F CB -0.309 38.701 39.000 0.018 0.000 0.997 429 F HN 0.000 nan 8.300 nan 0.000 0.486 430 A N 0.198 123.042 122.820 0.039 0.000 1.873 430 A HA -0.150 4.171 4.320 0.001 0.000 0.215 430 A C 2.349 179.811 177.584 -0.203 0.000 1.186 430 A CA 1.494 53.471 52.037 -0.099 0.000 0.616 430 A CB -0.864 18.148 19.000 0.020 0.000 0.823 430 A HN 0.494 nan 8.150 nan 0.000 0.442 431 R N -0.443 119.986 120.500 -0.119 0.000 2.082 431 R HA -0.155 4.185 4.340 0.001 0.000 0.234 431 R C 1.980 178.156 176.300 -0.206 0.000 1.136 431 R CA 1.987 58.010 56.100 -0.130 0.000 0.935 431 R CB -0.562 29.700 30.300 -0.062 0.000 0.842 431 R HN 0.410 nan 8.270 nan 0.000 0.430 432 L N 0.720 121.818 121.223 -0.208 0.000 2.042 432 L HA -0.175 4.165 4.340 0.001 0.000 0.210 432 L C 2.711 179.318 176.870 -0.438 0.000 1.076 432 L CA 1.880 56.570 54.840 -0.250 0.000 0.749 432 L CB -0.620 41.331 42.059 -0.180 0.000 0.893 432 L HN 0.347 nan 8.230 nan 0.000 0.432 433 A N -0.534 121.895 122.820 -0.652 0.000 1.978 433 A HA -0.200 4.120 4.320 0.001 0.000 0.220 433 A C 2.292 179.347 177.584 -0.883 0.000 1.170 433 A CA 1.467 52.844 52.037 -1.100 0.000 0.636 433 A CB -0.348 17.985 19.000 -1.111 0.000 0.810 433 A HN 0.258 nan 8.150 nan 0.000 0.448 434 K N 0.475 120.560 120.400 -0.525 0.000 2.063 434 K HA -0.198 4.122 4.320 0.001 0.000 0.208 434 K C 1.843 178.254 176.600 -0.315 0.000 1.048 434 K CA 1.929 57.997 56.287 -0.365 0.000 0.928 434 K CB -0.483 31.873 32.500 -0.240 0.000 0.713 434 K HN 0.938 nan 8.250 nan 0.000 0.442 435 E N 0.542 120.568 120.200 -0.290 0.000 2.057 435 E HA -0.008 4.343 4.350 0.001 0.000 0.191 435 E C 2.108 178.563 176.600 -0.242 0.000 0.959 435 E CA -0.151 56.123 56.400 -0.211 0.000 0.828 435 E CB -0.517 29.092 29.700 -0.152 0.000 0.800 435 E HN -0.151 nan 8.360 nan 0.000 0.460 436 L N 1.977 123.031 121.223 -0.282 0.000 2.011 436 L HA -0.190 4.150 4.340 0.001 0.000 0.225 436 L C 1.836 178.537 176.870 -0.282 0.000 1.084 436 L CA 2.213 56.906 54.840 -0.245 0.000 0.791 436 L CB -2.157 39.736 42.059 -0.277 0.000 0.898 436 L HN 0.384 nan 8.230 nan 0.000 0.440 437 G N 0.000 108.403 108.800 -0.662 0.000 5.446 437 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 437 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 437 G CA 0.000 44.754 45.100 -0.577 0.000 0.502 437 G HN 0.000 nan 8.290 nan 0.000 0.925