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 3cq5_1_C DATA FIRST_RESID 3 DATA SEQUENCE KITLSDLPLR EELRGEHAYG APQLNVDIRL NTNENPYPPS EALVADLVAT DATA SEQUENCE VDKIATELNR YPERDAVELR DELAAYITKQ TGVAVTRDNL WAANGSNEIL DATA SEQUENCE QQLLQAFGGP GRTALGFQPS YSMHPILAKG THTEFIAVSR GADFRIDMDV DATA SEQUENCE ALEEIRAKQP DIVFVTTPNN PTGDVTSLDD VERIINVAPG IVIVDEAYAE DATA SEQUENCE FSPSPSATTL LEKYPTKLVV SRTMSKAFDF AGGRLGYFVA NPAFIDAVML DATA SEQUENCE VRLPYHLSAL SQAAAIVALR HSADTLGTVE KLSVERVRVA ARLEELGYAV DATA SEQUENCE VPSESNFVFF GDFSDQHAAW QAFLDRGVLI RDVGIAGHLR TTIGVPEEND DATA SEQUENCE AFLDAAAEII KLNL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.602 176.600 0.003 0.000 0.988 3 K CA 0.000 56.289 56.287 0.003 0.000 0.838 3 K CB 0.000 32.502 32.500 0.003 0.000 1.064 4 I N 0.031 120.603 120.570 0.003 0.000 3.108 4 I HA 0.876 5.046 4.170 -0.000 0.000 0.312 4 I C -0.748 175.370 176.117 0.003 0.000 1.095 4 I CA -0.535 60.766 61.300 0.003 0.000 1.000 4 I CB 2.511 40.513 38.000 0.003 0.000 1.229 4 I HN 0.726 nan 8.210 nan 0.000 0.454 5 T N 0.668 115.223 114.554 0.002 0.000 2.804 5 T HA 0.340 4.690 4.350 -0.000 0.000 0.290 5 T C 0.377 175.077 174.700 0.000 0.000 1.099 5 T CA -0.666 61.435 62.100 0.002 0.000 1.011 5 T CB 1.353 70.222 68.868 0.002 0.000 1.291 5 T HN 0.732 nan 8.240 nan 0.000 0.523 6 L N 1.181 122.403 121.223 -0.002 0.000 2.265 6 L HA 0.126 4.466 4.340 -0.000 0.000 0.215 6 L C 2.385 179.251 176.870 -0.007 0.000 1.117 6 L CA 1.782 56.619 54.840 -0.005 0.000 0.782 6 L CB -1.251 40.803 42.059 -0.009 0.000 0.914 6 L HN 0.791 nan 8.230 nan 0.000 0.441 7 S N -0.427 115.269 115.700 -0.007 0.000 2.423 7 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 7 S C 1.327 175.925 174.600 -0.004 0.000 1.014 7 S CA 1.140 59.336 58.200 -0.007 0.000 0.965 7 S CB -0.346 62.850 63.200 -0.006 0.000 0.785 7 S HN 0.549 nan 8.310 nan 0.000 0.495 8 D N 0.955 121.354 120.400 -0.002 0.000 2.347 8 D HA 0.126 4.766 4.640 -0.000 0.000 0.215 8 D C 0.363 176.663 176.300 0.000 0.000 0.976 8 D CA 0.330 54.330 54.000 -0.001 0.000 0.884 8 D CB 0.024 40.824 40.800 0.001 0.000 0.915 8 D HN 0.350 nan 8.370 nan 0.000 0.526 9 L N 1.711 122.934 121.223 -0.000 0.000 2.379 9 L HA 0.251 4.590 4.340 -0.000 0.000 0.269 9 L C -1.628 175.243 176.870 0.001 0.000 1.084 9 L CA -1.767 53.074 54.840 0.001 0.000 0.802 9 L CB 0.875 42.935 42.059 0.002 0.000 1.175 9 L HN -0.263 nan 8.230 nan 0.000 0.448 10 P HA 0.029 nan 4.420 nan 0.000 0.277 10 P C -0.142 177.160 177.300 0.004 0.000 1.617 10 P CA -0.185 62.917 63.100 0.003 0.000 0.829 10 P CB -0.219 31.483 31.700 0.003 0.000 1.774 11 L N 0.617 121.841 121.223 0.002 0.000 2.485 11 L HA 0.049 4.389 4.340 -0.000 0.000 0.275 11 L C 0.824 177.698 176.870 0.006 0.000 1.207 11 L CA 0.008 54.850 54.840 0.003 0.000 0.855 11 L CB 0.172 42.229 42.059 -0.003 0.000 1.114 11 L HN 0.023 nan 8.230 nan 0.000 0.485 12 R N 2.888 123.396 120.500 0.014 0.000 2.585 12 R HA -0.085 4.255 4.340 -0.000 0.000 0.275 12 R C 0.895 177.202 176.300 0.012 0.000 1.018 12 R CA 0.111 56.223 56.100 0.021 0.000 1.072 12 R CB 0.316 30.643 30.300 0.044 0.000 0.953 12 R HN 0.654 nan 8.270 nan 0.000 0.419 13 E N 2.662 122.869 120.200 0.011 0.000 2.153 13 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 13 E C 1.299 177.901 176.600 0.002 0.000 0.988 13 E CA 1.784 58.186 56.400 0.003 0.000 0.811 13 E CB 0.145 29.847 29.700 0.004 0.000 0.746 13 E HN 0.709 nan 8.360 nan 0.000 0.466 14 E N -0.215 119.993 120.200 0.015 0.000 2.409 14 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 14 E C 1.508 178.104 176.600 -0.007 0.000 1.024 14 E CA 0.722 57.129 56.400 0.013 0.000 0.861 14 E CB -0.177 29.547 29.700 0.039 0.000 0.788 14 E HN 0.335 nan 8.360 nan 0.000 0.521 15 L N 0.385 121.601 121.223 -0.012 0.000 2.585 15 L HA 0.173 4.513 4.340 -0.000 0.000 0.226 15 L C 0.755 177.593 176.870 -0.054 0.000 1.113 15 L CA -0.497 54.324 54.840 -0.032 0.000 0.876 15 L CB 0.069 42.116 42.059 -0.021 0.000 1.072 15 L HN -0.038 nan 8.230 nan 0.000 0.468 16 R N 1.121 121.594 120.500 -0.044 0.000 2.585 16 R HA 0.112 4.452 4.340 -0.000 0.000 0.275 16 R C 1.210 177.456 176.300 -0.090 0.000 1.018 16 R CA 0.792 56.858 56.100 -0.056 0.000 1.072 16 R CB -0.326 29.953 30.300 -0.035 0.000 0.953 16 R HN 0.347 nan 8.270 nan 0.000 0.419 17 G N 1.797 110.519 108.800 -0.130 0.000 2.196 17 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.268 17 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.268 17 G C 0.196 174.860 174.900 -0.393 0.000 0.975 17 G CA 0.395 45.374 45.100 -0.202 0.000 0.648 17 G HN 0.546 nan 8.290 nan 0.000 0.538 18 E N 0.189 120.198 120.200 -0.319 0.000 2.369 18 E HA 0.546 4.896 4.350 -0.000 0.000 0.255 18 E C 0.138 176.423 176.600 -0.525 0.000 1.172 18 E CA -0.048 56.159 56.400 -0.322 0.000 0.932 18 E CB 0.494 30.117 29.700 -0.129 0.000 1.040 18 E HN 0.654 nan 8.360 nan 0.000 0.454 19 H N -1.316 117.746 119.070 -0.012 0.000 2.768 19 H HA 0.516 5.072 4.556 -0.000 0.000 0.371 19 H C -0.498 174.831 175.328 0.002 0.000 1.151 19 H CA -0.791 55.249 56.048 -0.014 0.000 1.165 19 H CB 1.599 31.342 29.762 -0.031 0.000 1.722 19 H HN 0.559 nan 8.280 nan 0.000 0.543 20 A N 1.782 124.675 122.820 0.121 0.000 2.462 20 A HA 0.121 4.441 4.320 -0.000 0.000 0.243 20 A C -0.756 176.886 177.584 0.098 0.000 1.076 20 A CA 0.005 52.096 52.037 0.089 0.000 0.773 20 A CB -0.291 18.745 19.000 0.061 0.000 1.010 20 A HN 0.679 nan 8.150 nan 0.000 0.493 21 Y N 1.301 121.594 120.300 -0.013 0.000 2.304 21 Y HA 0.466 5.016 4.550 -0.000 0.000 0.327 21 Y C 0.726 176.613 175.900 -0.022 0.000 1.209 21 Y CA 0.982 59.062 58.100 -0.034 0.000 1.299 21 Y CB 0.873 39.297 38.460 -0.061 0.000 1.249 21 Y HN 1.310 nan 8.280 nan 0.000 0.519 22 G N 2.627 111.043 108.800 -0.640 0.000 2.351 22 G HA2 0.421 4.381 3.960 -0.000 0.000 0.472 22 G HA3 0.421 4.381 3.960 -0.000 0.000 0.472 22 G C -1.487 173.224 174.900 -0.315 0.000 1.570 22 G CA -0.670 44.205 45.100 -0.374 0.000 0.921 22 G HN 0.975 nan 8.290 nan 0.000 0.674 23 A N 2.346 125.033 122.820 -0.221 0.000 2.483 23 A HA 0.686 5.006 4.320 -0.000 0.000 0.238 23 A C -1.465 176.093 177.584 -0.043 0.000 1.070 23 A CA -0.431 51.533 52.037 -0.123 0.000 0.770 23 A CB -0.432 18.542 19.000 -0.043 0.000 1.008 23 A HN 0.639 nan 8.150 nan 0.000 0.497 24 P HA 0.075 nan 4.420 nan 0.000 0.262 24 P C -0.672 176.667 177.300 0.064 0.000 1.182 24 P CA 0.401 63.540 63.100 0.065 0.000 0.761 24 P CB 0.276 32.087 31.700 0.186 0.000 0.795 25 Q N 2.513 122.337 119.800 0.040 0.000 2.835 25 Q HA 0.243 4.583 4.340 -0.000 0.000 0.235 25 Q C -0.520 175.499 176.000 0.031 0.000 1.313 25 Q CA -0.124 55.697 55.803 0.030 0.000 1.053 25 Q CB -0.147 28.602 28.738 0.019 0.000 1.443 25 Q HN 0.435 nan 8.270 nan 0.000 0.576 26 L N 1.934 123.179 121.223 0.038 0.000 2.287 26 L HA 0.329 4.669 4.340 -0.000 0.000 0.287 26 L C 0.234 177.106 176.870 0.005 0.000 1.022 26 L CA -0.682 54.172 54.840 0.023 0.000 0.814 26 L CB 1.046 43.122 42.059 0.028 0.000 1.217 26 L HN 0.329 nan 8.230 nan 0.000 0.420 27 N N 3.443 122.142 118.700 -0.001 0.000 3.250 27 N HA 0.100 4.840 4.740 -0.000 0.000 0.307 27 N C -0.002 175.500 175.510 -0.014 0.000 1.355 27 N CA -0.057 52.989 53.050 -0.006 0.000 1.192 27 N CB 0.235 38.719 38.487 -0.004 0.000 1.478 27 N HN 0.395 nan 8.380 nan 0.000 0.543 28 V N -2.309 117.593 119.914 -0.022 0.000 3.336 28 V HA 0.273 4.393 4.120 -0.000 0.000 0.304 28 V C 1.171 177.251 176.094 -0.023 0.000 1.073 28 V CA -0.359 61.924 62.300 -0.029 0.000 1.074 28 V CB 1.092 32.886 31.823 -0.049 0.000 1.161 28 V HN 0.007 nan 8.190 nan 0.000 0.460 29 D N 0.042 120.429 120.400 -0.021 0.000 2.149 29 D HA 0.077 4.717 4.640 -0.000 0.000 0.201 29 D C 0.563 176.854 176.300 -0.014 0.000 0.972 29 D CA 1.530 55.521 54.000 -0.015 0.000 0.835 29 D CB 0.004 40.796 40.800 -0.012 0.000 0.966 29 D HN 0.417 nan 8.370 nan 0.000 0.476 30 I N 1.849 122.411 120.570 -0.013 0.000 2.405 30 I HA 0.225 4.395 4.170 -0.000 0.000 0.280 30 I C -0.090 176.015 176.117 -0.019 0.000 1.027 30 I CA -0.334 60.961 61.300 -0.009 0.000 1.161 30 I CB 0.921 38.932 38.000 0.019 0.000 1.300 30 I HN -0.312 nan 8.210 nan 0.000 0.463 31 R N 7.157 127.640 120.500 -0.027 0.000 2.246 31 R HA 0.563 4.903 4.340 -0.000 0.000 0.332 31 R C -0.427 175.848 176.300 -0.042 0.000 0.974 31 R CA -0.491 55.592 56.100 -0.029 0.000 0.837 31 R CB 1.817 32.106 30.300 -0.018 0.000 1.145 31 R HN 0.531 nan 8.270 nan 0.000 0.467 32 L N 3.925 125.114 121.223 -0.057 0.000 2.913 32 L HA 0.197 4.537 4.340 -0.000 0.000 0.283 32 L C 0.646 177.466 176.870 -0.083 0.000 1.336 32 L CA -0.139 54.644 54.840 -0.095 0.000 0.815 32 L CB 0.205 42.163 42.059 -0.169 0.000 1.188 32 L HN 0.567 nan 8.230 nan 0.000 0.551 33 N N -1.386 117.293 118.700 -0.035 0.000 2.145 33 N HA -0.003 4.736 4.740 -0.000 0.000 0.219 33 N C 0.774 176.278 175.510 -0.010 0.000 1.266 33 N CA 0.535 53.580 53.050 -0.010 0.000 0.902 33 N CB 0.584 39.099 38.487 0.047 0.000 1.078 33 N HN 0.217 nan 8.380 nan 0.000 0.513 34 T N -2.971 111.583 114.554 0.001 0.000 3.170 34 T HA 0.266 4.616 4.350 -0.000 0.000 0.288 34 T C -0.084 174.648 174.700 0.053 0.000 0.992 34 T CA -0.385 61.729 62.100 0.023 0.000 0.909 34 T CB -0.195 68.697 68.868 0.040 0.000 1.133 34 T HN -0.024 nan 8.240 nan 0.000 0.530 35 N N 1.341 120.070 118.700 0.048 0.000 2.741 35 N HA -0.136 4.604 4.740 -0.000 0.000 0.250 35 N C -0.555 175.066 175.510 0.186 0.000 1.115 35 N CA 0.868 53.999 53.050 0.136 0.000 0.724 35 N CB -1.488 37.143 38.487 0.241 0.000 1.090 35 N HN 0.742 nan 8.380 nan 0.000 0.558 36 E N 0.610 120.882 120.200 0.119 0.000 2.383 36 E HA 0.101 4.451 4.350 -0.000 0.000 0.264 36 E C 0.660 177.346 176.600 0.143 0.000 1.050 36 E CA -0.484 55.992 56.400 0.127 0.000 0.896 36 E CB 0.472 30.216 29.700 0.073 0.000 0.982 36 E HN 0.128 nan 8.360 nan 0.000 0.424 37 N N 3.700 122.520 118.700 0.200 0.000 2.452 37 N HA 0.001 4.741 4.740 -0.000 0.000 0.266 37 N C -1.658 173.918 175.510 0.109 0.000 1.209 37 N CA -1.428 51.753 53.050 0.219 0.000 0.929 37 N CB 0.871 39.531 38.487 0.288 0.000 1.063 37 N HN 0.298 nan 8.380 nan 0.000 0.472 38 P HA -0.053 nan 4.420 nan 0.000 0.233 38 P C -0.334 176.832 177.300 -0.222 0.000 1.167 38 P CA 0.627 63.627 63.100 -0.167 0.000 0.770 38 P CB 0.088 31.596 31.700 -0.321 0.000 0.837 39 Y N 1.682 122.025 120.300 0.071 0.000 2.377 39 Y HA 0.264 4.813 4.550 -0.000 0.000 0.330 39 Y C -1.659 174.280 175.900 0.064 0.000 1.108 39 Y CA -2.543 55.594 58.100 0.062 0.000 1.308 39 Y CB -0.430 38.068 38.460 0.063 0.000 1.216 39 Y HN -0.032 nan 8.280 nan 0.000 0.518 40 P HA 0.091 nan 4.420 nan 0.000 0.272 40 P C -2.464 174.920 177.300 0.139 0.000 1.223 40 P CA -1.132 62.044 63.100 0.127 0.000 0.784 40 P CB 0.081 31.835 31.700 0.090 0.000 0.923 41 P HA -0.021 nan 4.420 nan 0.000 0.266 41 P C 0.033 177.368 177.300 0.060 0.000 1.193 41 P CA 0.247 63.413 63.100 0.110 0.000 0.770 41 P CB 0.110 31.887 31.700 0.128 0.000 0.836 42 S N 1.059 116.775 115.700 0.025 0.000 2.584 42 S HA 0.052 4.522 4.470 -0.000 0.000 0.270 42 S C 1.108 175.694 174.600 -0.024 0.000 1.346 42 S CA -0.299 57.902 58.200 0.002 0.000 1.018 42 S CB 0.467 63.663 63.200 -0.007 0.000 0.899 42 S HN 0.452 nan 8.310 nan 0.000 0.542 43 E N 1.502 121.698 120.200 -0.008 0.000 2.118 43 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 43 E C 2.343 178.923 176.600 -0.033 0.000 0.992 43 E CA 1.364 57.758 56.400 -0.010 0.000 0.804 43 E CB -0.476 29.227 29.700 0.005 0.000 0.741 43 E HN 0.826 nan 8.360 nan 0.000 0.458 44 A N 1.369 124.166 122.820 -0.037 0.000 1.877 44 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 44 A C 2.195 179.637 177.584 -0.237 0.000 1.186 44 A CA 1.075 53.090 52.037 -0.037 0.000 0.620 44 A CB -0.743 18.302 19.000 0.076 0.000 0.822 44 A HN 0.276 nan 8.150 nan 0.000 0.443 45 L N -0.110 120.830 121.223 -0.470 0.000 2.012 45 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 45 L C 2.456 179.166 176.870 -0.266 0.000 1.073 45 L CA 1.851 56.281 54.840 -0.683 0.000 0.748 45 L CB -0.273 41.520 42.059 -0.444 0.000 0.891 45 L HN 0.240 nan 8.230 nan 0.000 0.431 46 V N 0.164 120.004 119.914 -0.125 0.000 2.287 46 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 46 V C 2.817 178.890 176.094 -0.036 0.000 1.053 46 V CA 1.777 64.050 62.300 -0.044 0.000 1.027 46 V CB -1.227 30.587 31.823 -0.014 0.000 0.646 46 V HN 0.626 nan 8.190 nan 0.000 0.447 47 A N -0.030 122.768 122.820 -0.037 0.000 1.892 47 A HA -0.341 3.979 4.320 -0.000 0.000 0.218 47 A C 2.143 179.725 177.584 -0.004 0.000 1.188 47 A CA 2.334 54.364 52.037 -0.012 0.000 0.631 47 A CB -0.770 18.230 19.000 -0.001 0.000 0.822 47 A HN 0.576 nan 8.150 nan 0.000 0.447 48 D N -0.529 119.864 120.400 -0.011 0.000 2.097 48 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 48 D C 1.851 178.160 176.300 0.015 0.000 0.989 48 D CA 1.401 55.419 54.000 0.031 0.000 0.827 48 D CB -0.344 40.524 40.800 0.114 0.000 0.966 48 D HN 0.233 nan 8.370 nan 0.000 0.456 49 L N 0.397 121.616 121.223 -0.007 0.000 2.012 49 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 49 L C 2.505 179.383 176.870 0.012 0.000 1.073 49 L CA 1.447 56.294 54.840 0.012 0.000 0.748 49 L CB -0.759 41.317 42.059 0.028 0.000 0.891 49 L HN -0.039 nan 8.230 nan 0.000 0.431 50 V N -0.019 119.899 119.914 0.007 0.000 2.332 50 V HA -0.312 3.807 4.120 -0.000 0.000 0.248 50 V C 2.783 178.881 176.094 0.006 0.000 1.055 50 V CA 1.706 64.010 62.300 0.005 0.000 1.038 50 V CB -1.412 30.412 31.823 0.003 0.000 0.651 50 V HN 0.626 nan 8.190 nan 0.000 0.450 51 A N -0.442 122.383 122.820 0.008 0.000 1.933 51 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 51 A C 2.391 179.980 177.584 0.008 0.000 1.175 51 A CA 2.425 54.467 52.037 0.009 0.000 0.628 51 A CB -0.877 18.131 19.000 0.013 0.000 0.814 51 A HN 0.509 nan 8.150 nan 0.000 0.444 52 T N -0.449 114.111 114.554 0.010 0.000 2.777 52 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 52 T C 1.882 176.583 174.700 0.003 0.000 1.040 52 T CA 1.506 63.611 62.100 0.007 0.000 1.141 52 T CB -0.353 68.521 68.868 0.009 0.000 0.868 52 T HN 0.154 nan 8.240 nan 0.000 0.444 53 V N 1.907 121.823 119.914 0.004 0.000 2.343 53 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 53 V C 2.466 178.558 176.094 -0.003 0.000 1.051 53 V CA 1.744 64.043 62.300 -0.000 0.000 1.036 53 V CB -0.564 31.259 31.823 0.000 0.000 0.654 53 V HN 0.418 nan 8.190 nan 0.000 0.451 54 D N 0.065 120.464 120.400 -0.002 0.000 2.149 54 D HA -0.206 4.434 4.640 -0.000 0.000 0.198 54 D C 2.228 178.526 176.300 -0.003 0.000 0.990 54 D CA 1.432 55.431 54.000 -0.003 0.000 0.839 54 D CB -0.078 40.722 40.800 -0.001 0.000 0.948 54 D HN 0.417 nan 8.370 nan 0.000 0.460 55 K N 0.039 120.438 120.400 -0.002 0.000 2.062 55 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 55 K C 2.204 178.801 176.600 -0.005 0.000 1.051 55 K CA 1.242 57.527 56.287 -0.003 0.000 0.941 55 K CB -0.117 32.382 32.500 -0.001 0.000 0.719 55 K HN 0.351 nan 8.250 nan 0.000 0.440 56 I N -3.161 117.406 120.570 -0.006 0.000 3.783 56 I HA 0.240 4.410 4.170 -0.000 0.000 0.310 56 I C 1.836 177.945 176.117 -0.013 0.000 1.274 56 I CA 0.393 61.687 61.300 -0.009 0.000 1.294 56 I CB 0.174 38.169 38.000 -0.009 0.000 1.051 56 I HN -0.064 nan 8.210 nan 0.000 0.435 57 A N 2.374 125.186 122.820 -0.014 0.000 1.978 57 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 57 A C 2.357 179.928 177.584 -0.021 0.000 1.170 57 A CA 2.516 54.542 52.037 -0.018 0.000 0.636 57 A CB -1.402 17.589 19.000 -0.016 0.000 0.810 57 A HN 0.665 nan 8.150 nan 0.000 0.448 58 T N -2.864 111.680 114.554 -0.017 0.000 3.113 58 T HA 0.048 4.398 4.350 -0.000 0.000 0.263 58 T C 0.818 175.506 174.700 -0.021 0.000 1.143 58 T CA 1.395 63.485 62.100 -0.018 0.000 1.090 58 T CB -0.084 68.776 68.868 -0.013 0.000 0.922 58 T HN 0.446 nan 8.240 nan 0.000 0.521 59 E N 0.067 120.253 120.200 -0.022 0.000 2.501 59 E HA 0.411 4.761 4.350 -0.000 0.000 0.200 59 E C 1.356 177.931 176.600 -0.041 0.000 1.016 59 E CA -0.130 56.255 56.400 -0.025 0.000 0.921 59 E CB -0.075 29.616 29.700 -0.015 0.000 1.034 59 E HN 0.431 nan 8.360 nan 0.000 0.468 60 L N 1.470 122.664 121.223 -0.049 0.000 2.465 60 L HA -0.089 4.251 4.340 -0.000 0.000 0.224 60 L C 1.711 178.519 176.870 -0.104 0.000 1.145 60 L CA 0.538 55.336 54.840 -0.070 0.000 0.834 60 L CB -0.356 41.667 42.059 -0.059 0.000 0.944 60 L HN 0.311 nan 8.230 nan 0.000 0.451 61 N N -0.035 118.609 118.700 -0.092 0.000 2.396 61 N HA -0.109 4.631 4.740 -0.000 0.000 0.180 61 N C 0.698 176.114 175.510 -0.157 0.000 1.028 61 N CA 0.564 53.545 53.050 -0.115 0.000 0.893 61 N CB 0.016 38.458 38.487 -0.075 0.000 0.967 61 N HN 0.169 nan 8.380 nan 0.000 0.440 62 R N 0.461 120.887 120.500 -0.124 0.000 2.500 62 R HA 0.231 4.570 4.340 -0.000 0.000 0.277 62 R C -0.334 175.862 176.300 -0.174 0.000 1.026 62 R CA -0.812 55.223 56.100 -0.109 0.000 1.058 62 R CB 0.154 30.439 30.300 -0.025 0.000 1.078 62 R HN 0.125 nan 8.270 nan 0.000 0.509 63 Y N 2.405 122.604 120.300 -0.167 0.000 2.652 63 Y HA 0.008 4.558 4.550 -0.000 0.000 0.344 63 Y C -1.045 174.800 175.900 -0.092 0.000 1.254 63 Y CA -0.246 57.691 58.100 -0.272 0.000 1.480 63 Y CB -0.140 37.891 38.460 -0.714 0.000 1.345 63 Y HN 0.418 nan 8.280 nan 0.000 0.617 64 P HA -0.028 nan 4.420 nan 0.000 0.274 64 P C -0.620 176.826 177.300 0.243 0.000 1.256 64 P CA -0.463 62.728 63.100 0.151 0.000 0.795 64 P CB 0.601 32.373 31.700 0.120 0.000 1.038 65 E N 1.180 121.464 120.200 0.140 0.000 2.415 65 E HA -0.068 4.282 4.350 -0.000 0.000 0.260 65 E C 1.158 177.833 176.600 0.125 0.000 1.016 65 E CA 0.156 56.632 56.400 0.128 0.000 0.924 65 E CB 0.266 30.002 29.700 0.059 0.000 0.961 65 E HN 0.352 nan 8.360 nan 0.000 0.459 66 R N 3.696 124.273 120.500 0.129 0.000 2.092 66 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 66 R C 0.282 176.593 176.300 0.018 0.000 1.119 66 R CA 1.393 57.489 56.100 -0.007 0.000 0.970 66 R CB 0.337 30.468 30.300 -0.281 0.000 0.864 66 R HN 0.426 nan 8.270 nan 0.000 0.440 67 D N -0.340 120.087 120.400 0.045 0.000 2.349 67 D HA 0.124 4.764 4.640 -0.000 0.000 0.214 67 D C 0.290 176.589 176.300 -0.003 0.000 1.063 67 D CA 0.732 54.789 54.000 0.095 0.000 0.847 67 D CB 0.816 41.693 40.800 0.130 0.000 0.933 67 D HN 0.273 nan 8.370 nan 0.000 0.513 68 A N 0.346 123.133 122.820 -0.055 0.000 2.745 68 A HA -0.235 4.085 4.320 -0.000 0.000 0.296 68 A C 1.744 179.280 177.584 -0.080 0.000 1.500 68 A CA 0.510 52.480 52.037 -0.112 0.000 0.766 68 A CB -2.101 16.754 19.000 -0.243 0.000 1.030 68 A HN 0.197 nan 8.150 nan 0.000 0.489 69 V N -0.393 119.505 119.914 -0.027 0.000 2.295 69 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 69 V C 2.394 178.472 176.094 -0.027 0.000 1.049 69 V CA 2.682 64.978 62.300 -0.007 0.000 1.024 69 V CB -0.393 31.439 31.823 0.016 0.000 0.648 69 V HN 0.904 nan 8.190 nan 0.000 0.447 70 E N -0.069 120.110 120.200 -0.034 0.000 2.051 70 E HA -0.270 4.080 4.350 -0.000 0.000 0.192 70 E C 2.212 178.771 176.600 -0.069 0.000 0.991 70 E CA 1.648 58.024 56.400 -0.042 0.000 0.799 70 E CB -0.183 29.495 29.700 -0.036 0.000 0.748 70 E HN 0.434 nan 8.360 nan 0.000 0.449 71 L N 1.415 122.581 121.223 -0.096 0.000 2.012 71 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 71 L C 2.300 179.080 176.870 -0.151 0.000 1.073 71 L CA 1.852 56.608 54.840 -0.140 0.000 0.748 71 L CB -0.372 41.585 42.059 -0.170 0.000 0.891 71 L HN 0.017 nan 8.230 nan 0.000 0.431 72 R N -0.391 120.034 120.500 -0.124 0.000 2.120 72 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 72 R C 1.950 178.214 176.300 -0.059 0.000 1.123 72 R CA 1.322 57.363 56.100 -0.098 0.000 0.975 72 R CB -0.512 29.759 30.300 -0.049 0.000 0.866 72 R HN 0.453 nan 8.270 nan 0.000 0.446 73 D N 0.528 120.902 120.400 -0.043 0.000 2.104 73 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 73 D C 1.801 178.081 176.300 -0.034 0.000 0.994 73 D CA 1.193 55.178 54.000 -0.025 0.000 0.830 73 D CB -0.039 40.749 40.800 -0.020 0.000 0.959 73 D HN 0.167 nan 8.370 nan 0.000 0.452 74 E N 0.259 120.422 120.200 -0.062 0.000 2.152 74 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 74 E C 2.539 179.099 176.600 -0.067 0.000 0.983 74 E CA 0.078 56.441 56.400 -0.062 0.000 0.818 74 E CB -0.262 29.383 29.700 -0.091 0.000 0.758 74 E HN 0.356 nan 8.360 nan 0.000 0.467 75 L N 0.576 121.711 121.223 -0.146 0.000 2.046 75 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 75 L C 2.481 179.332 176.870 -0.031 0.000 1.077 75 L CA 1.163 55.874 54.840 -0.216 0.000 0.747 75 L CB -0.488 41.306 42.059 -0.442 0.000 0.896 75 L HN 0.063 nan 8.230 nan 0.000 0.432 76 A N -0.114 122.699 122.820 -0.011 0.000 1.933 76 A HA -0.140 4.179 4.320 -0.000 0.000 0.218 76 A C 2.498 180.108 177.584 0.043 0.000 1.175 76 A CA 1.629 53.688 52.037 0.038 0.000 0.628 76 A CB -0.600 18.420 19.000 0.033 0.000 0.814 76 A HN 0.404 nan 8.150 nan 0.000 0.444 77 A N -1.507 121.336 122.820 0.038 0.000 1.930 77 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 77 A C 2.108 179.732 177.584 0.066 0.000 1.175 77 A CA 1.551 53.611 52.037 0.039 0.000 0.627 77 A CB -0.742 18.276 19.000 0.030 0.000 0.815 77 A HN 0.730 nan 8.150 nan 0.000 0.443 78 Y N 0.555 120.855 120.300 0.001 0.000 2.145 78 Y HA -0.179 4.371 4.550 -0.000 0.000 0.286 78 Y C 1.994 177.932 175.900 0.064 0.000 1.145 78 Y CA 1.667 59.793 58.100 0.043 0.000 1.148 78 Y CB -0.129 38.383 38.460 0.086 0.000 0.981 78 Y HN 0.220 nan 8.280 nan 0.000 0.507 79 I N -0.182 120.360 120.570 -0.048 0.000 2.315 79 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 79 I C 2.167 178.225 176.117 -0.098 0.000 1.117 79 I CA 1.701 62.950 61.300 -0.083 0.000 1.404 79 I CB -1.564 36.520 38.000 0.139 0.000 1.071 79 I HN 0.286 nan 8.210 nan 0.000 0.419 80 T N 0.908 115.433 114.554 -0.047 0.000 2.684 80 T HA -0.255 4.095 4.350 -0.000 0.000 0.267 80 T C 1.975 176.630 174.700 -0.075 0.000 1.036 80 T CA 1.902 63.979 62.100 -0.038 0.000 1.148 80 T CB -0.143 68.718 68.868 -0.012 0.000 0.863 80 T HN 0.330 nan 8.240 nan 0.000 0.436 81 K N 0.563 120.897 120.400 -0.109 0.000 2.031 81 K HA -0.154 4.165 4.320 -0.000 0.000 0.205 81 K C 2.506 179.000 176.600 -0.177 0.000 1.049 81 K CA 1.405 57.621 56.287 -0.119 0.000 0.939 81 K CB -0.151 32.291 32.500 -0.097 0.000 0.717 81 K HN 0.136 nan 8.250 nan 0.000 0.438 82 Q N 0.613 120.211 119.800 -0.336 0.000 2.050 82 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 82 Q C 1.669 177.555 176.000 -0.190 0.000 0.980 82 Q CA 2.675 58.260 55.803 -0.365 0.000 0.840 82 Q CB -0.344 27.941 28.738 -0.755 0.000 0.898 82 Q HN 0.503 nan 8.270 nan 0.000 0.424 83 T N -4.949 109.517 114.554 -0.146 0.000 3.023 83 T HA 0.382 4.732 4.350 -0.000 0.000 0.253 83 T C 1.235 175.910 174.700 -0.042 0.000 1.038 83 T CA 0.411 62.470 62.100 -0.068 0.000 0.962 83 T CB 0.324 69.174 68.868 -0.031 0.000 1.018 83 T HN 0.575 nan 8.240 nan 0.000 0.521 84 G N 0.998 109.767 108.800 -0.051 0.000 2.155 84 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.257 84 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.257 84 G C 0.005 174.897 174.900 -0.013 0.000 0.983 84 G CA 0.183 45.265 45.100 -0.030 0.000 0.676 84 G HN 0.787 nan 8.290 nan 0.000 0.528 85 V N 0.873 120.783 119.914 -0.007 0.000 2.370 85 V HA 0.739 4.858 4.120 -0.000 0.000 0.283 85 V C 0.811 176.914 176.094 0.016 0.000 1.023 85 V CA -0.523 61.784 62.300 0.011 0.000 0.857 85 V CB 1.434 33.273 31.823 0.026 0.000 0.985 85 V HN 1.058 nan 8.190 nan 0.000 0.443 86 A N 5.833 128.664 122.820 0.018 0.000 2.484 86 A HA 0.604 4.923 4.320 -0.000 0.000 0.268 86 A C 0.001 177.607 177.584 0.037 0.000 1.114 86 A CA 0.010 52.060 52.037 0.021 0.000 0.780 86 A CB -0.026 18.985 19.000 0.017 0.000 1.061 86 A HN 1.378 nan 8.150 nan 0.000 0.505 87 V N 0.422 120.361 119.914 0.042 0.000 3.160 87 V HA 1.006 5.126 4.120 -0.000 0.000 0.310 87 V C -0.283 175.843 176.094 0.053 0.000 1.181 87 V CA -0.053 62.283 62.300 0.060 0.000 1.047 87 V CB 1.645 33.518 31.823 0.083 0.000 1.068 87 V HN 1.483 nan 8.190 nan 0.000 0.441 88 T N -1.913 112.678 114.554 0.061 0.000 2.802 88 T HA 0.445 4.794 4.350 -0.000 0.000 0.311 88 T C 0.542 175.279 174.700 0.061 0.000 1.405 88 T CA -0.131 61.998 62.100 0.048 0.000 1.016 88 T CB 1.920 70.815 68.868 0.046 0.000 1.352 88 T HN 1.040 nan 8.240 nan 0.000 0.498 89 R N 0.257 120.787 120.500 0.051 0.000 2.226 89 R HA -0.169 4.170 4.340 -0.000 0.000 0.246 89 R C 0.604 176.959 176.300 0.091 0.000 1.161 89 R CA 2.130 58.265 56.100 0.057 0.000 0.997 89 R CB -0.643 29.684 30.300 0.045 0.000 0.870 89 R HN 0.672 nan 8.270 nan 0.000 0.465 90 D N 0.160 120.615 120.400 0.091 0.000 2.263 90 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 90 D C 0.960 177.347 176.300 0.146 0.000 0.971 90 D CA 0.854 54.921 54.000 0.110 0.000 0.867 90 D CB -0.200 40.654 40.800 0.090 0.000 0.929 90 D HN 0.350 nan 8.370 nan 0.000 0.492 91 N N -0.166 118.620 118.700 0.144 0.000 2.373 91 N HA 0.038 4.778 4.740 -0.000 0.000 0.181 91 N C 0.121 175.759 175.510 0.212 0.000 1.082 91 N CA 0.093 53.256 53.050 0.187 0.000 0.885 91 N CB 1.100 39.682 38.487 0.159 0.000 0.977 91 N HN 0.174 nan 8.380 nan 0.000 0.462 92 L N -0.095 121.221 121.223 0.154 0.000 2.334 92 L HA 0.457 4.796 4.340 -0.000 0.000 0.276 92 L C -0.860 176.056 176.870 0.076 0.000 1.014 92 L CA -0.469 54.434 54.840 0.104 0.000 0.815 92 L CB 2.343 44.446 42.059 0.072 0.000 1.268 92 L HN 0.037 nan 8.230 nan 0.000 0.428 93 W N 3.686 124.746 121.300 -0.400 0.000 3.129 93 W HA 0.780 5.440 4.660 -0.000 0.000 0.333 93 W C -1.572 174.802 176.519 -0.241 0.000 1.141 93 W CA -0.841 56.235 57.345 -0.448 0.000 1.224 93 W CB 2.106 30.984 29.460 -0.969 0.000 1.393 93 W HN 0.593 nan 8.180 nan 0.000 0.499 94 A N 3.080 125.390 122.820 -0.850 0.000 2.380 94 A HA 0.979 5.299 4.320 -0.000 0.000 0.315 94 A C -1.248 176.040 177.584 -0.494 0.000 1.101 94 A CA -0.157 51.593 52.037 -0.477 0.000 0.771 94 A CB 1.659 20.448 19.000 -0.352 0.000 1.287 94 A HN 1.150 nan 8.150 nan 0.000 0.436 95 A N 0.734 123.489 122.820 -0.108 0.000 2.529 95 A HA 0.665 4.985 4.320 -0.000 0.000 0.296 95 A C -1.003 176.626 177.584 0.074 0.000 1.205 95 A CA -0.819 51.279 52.037 0.103 0.000 0.671 95 A CB 0.600 19.762 19.000 0.271 0.000 1.301 95 A HN 0.689 nan 8.150 nan 0.000 0.450 96 N N 1.312 120.089 118.700 0.129 0.000 2.671 96 N HA 0.409 5.149 4.740 -0.000 0.000 0.274 96 N C 0.421 175.987 175.510 0.093 0.000 1.188 96 N CA 1.374 54.472 53.050 0.081 0.000 1.065 96 N CB 0.102 38.640 38.487 0.085 0.000 1.415 96 N HN 1.511 nan 8.380 nan 0.000 0.511 97 G N 0.605 109.456 108.800 0.084 0.000 2.755 97 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.686 97 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.686 97 G C 0.761 175.732 174.900 0.119 0.000 1.427 97 G CA -0.431 44.724 45.100 0.092 0.000 0.873 97 G HN 0.327 nan 8.290 nan 0.000 0.580 98 S N 0.461 116.226 115.700 0.107 0.000 2.402 98 S HA -0.195 4.275 4.470 -0.000 0.000 0.233 98 S C 2.197 176.900 174.600 0.172 0.000 1.030 98 S CA 2.048 60.327 58.200 0.131 0.000 1.003 98 S CB -0.372 62.879 63.200 0.085 0.000 0.813 98 S HN 0.690 nan 8.310 nan 0.000 0.477 99 N N 0.695 119.489 118.700 0.157 0.000 2.061 99 N HA -0.187 4.553 4.740 -0.000 0.000 0.193 99 N C 1.935 177.529 175.510 0.139 0.000 1.030 99 N CA 1.385 54.520 53.050 0.141 0.000 0.856 99 N CB -0.137 38.411 38.487 0.102 0.000 1.023 99 N HN 0.487 nan 8.380 nan 0.000 0.424 100 E N 0.586 120.875 120.200 0.148 0.000 2.106 100 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 100 E C 1.870 178.604 176.600 0.223 0.000 0.984 100 E CA 0.550 57.051 56.400 0.168 0.000 0.806 100 E CB 0.188 29.995 29.700 0.179 0.000 0.750 100 E HN 0.229 nan 8.360 nan 0.000 0.458 101 I N 1.263 121.989 120.570 0.261 0.000 2.151 101 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 101 I C 2.409 178.719 176.117 0.322 0.000 1.080 101 I CA 1.398 62.917 61.300 0.365 0.000 1.339 101 I CB -1.034 37.186 38.000 0.367 0.000 1.039 101 I HN 0.286 nan 8.210 nan 0.000 0.409 102 L N -0.274 121.101 121.223 0.254 0.000 2.109 102 L HA -0.209 4.131 4.340 -0.000 0.000 0.207 102 L C 2.650 179.642 176.870 0.203 0.000 1.086 102 L CA 1.058 56.041 54.840 0.238 0.000 0.760 102 L CB -0.649 41.554 42.059 0.240 0.000 0.910 102 L HN 0.336 nan 8.230 nan 0.000 0.437 103 Q N 0.233 120.131 119.800 0.163 0.000 2.096 103 Q HA -0.286 4.054 4.340 -0.000 0.000 0.204 103 Q C 2.194 178.274 176.000 0.133 0.000 0.982 103 Q CA 1.905 57.782 55.803 0.124 0.000 0.850 103 Q CB -0.001 28.795 28.738 0.096 0.000 0.901 103 Q HN 0.559 nan 8.270 nan 0.000 0.422 104 Q N -0.084 119.818 119.800 0.171 0.000 2.079 104 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 104 Q C 2.251 178.347 176.000 0.160 0.000 0.974 104 Q CA 1.227 57.124 55.803 0.157 0.000 0.840 104 Q CB 0.019 28.888 28.738 0.219 0.000 0.898 104 Q HN 0.408 nan 8.270 nan 0.000 0.430 105 L N 0.231 121.583 121.223 0.216 0.000 2.093 105 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 105 L C 2.230 179.245 176.870 0.241 0.000 1.085 105 L CA 0.878 55.870 54.840 0.253 0.000 0.755 105 L CB -0.310 41.834 42.059 0.141 0.000 0.904 105 L HN 0.245 nan 8.230 nan 0.000 0.435 106 L N -0.851 120.475 121.223 0.171 0.000 2.083 106 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 106 L C 2.674 179.596 176.870 0.086 0.000 1.083 106 L CA 1.247 56.169 54.840 0.137 0.000 0.752 106 L CB -0.363 41.783 42.059 0.146 0.000 0.899 106 L HN 0.334 nan 8.230 nan 0.000 0.433 107 Q N -0.744 119.092 119.800 0.061 0.000 2.119 107 Q HA -0.167 4.172 4.340 -0.000 0.000 0.201 107 Q C 2.348 178.306 176.000 -0.070 0.000 0.972 107 Q CA 1.576 57.386 55.803 0.011 0.000 0.847 107 Q CB -0.141 28.604 28.738 0.011 0.000 0.903 107 Q HN 0.575 nan 8.270 nan 0.000 0.433 108 A N -0.580 122.154 122.820 -0.143 0.000 1.935 108 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 108 A C 1.165 178.363 177.584 -0.644 0.000 1.178 108 A CA 0.847 52.614 52.037 -0.450 0.000 0.640 108 A CB 0.003 18.622 19.000 -0.636 0.000 0.825 108 A HN 0.328 nan 8.150 nan 0.000 0.447 109 F N -1.508 118.439 119.950 -0.005 0.000 2.706 109 F HA 0.372 4.899 4.527 -0.000 0.000 0.313 109 F C 1.485 177.268 175.800 -0.028 0.000 1.096 109 F CA -0.051 57.939 58.000 -0.017 0.000 1.219 109 F CB 0.355 39.353 39.000 -0.004 0.000 1.051 109 F HN 0.278 nan 8.300 nan 0.000 0.568 110 G N -0.754 108.108 108.800 0.103 0.000 3.341 110 G HA2 0.592 4.552 3.960 -0.000 0.000 0.177 110 G HA3 0.592 4.552 3.960 -0.000 0.000 0.177 110 G C 0.228 175.156 174.900 0.046 0.000 1.236 110 G CA -0.134 45.008 45.100 0.069 0.000 0.888 110 G HN 0.495 nan 8.290 nan 0.000 0.644 111 G N -1.126 107.711 108.800 0.062 0.000 2.710 111 G HA2 0.081 4.041 3.960 -0.000 0.000 0.668 111 G HA3 0.081 4.041 3.960 -0.000 0.000 0.668 111 G C -3.056 171.887 174.900 0.072 0.000 1.320 111 G CA -0.362 44.781 45.100 0.071 0.000 0.860 111 G HN 0.634 nan 8.290 nan 0.000 0.538 112 P HA 0.299 nan 4.420 nan 0.000 0.263 112 P C 1.181 178.494 177.300 0.022 0.000 1.175 112 P CA 2.380 65.507 63.100 0.044 0.000 0.761 112 P CB 0.376 32.072 31.700 -0.008 0.000 0.794 113 G N 1.761 110.574 108.800 0.021 0.000 2.175 113 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.265 113 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.265 113 G C 0.209 175.116 174.900 0.011 0.000 0.979 113 G CA -0.009 45.098 45.100 0.010 0.000 0.663 113 G HN 0.593 nan 8.290 nan 0.000 0.533 114 R N -0.592 119.920 120.500 0.021 0.000 2.919 114 R HA 0.758 5.098 4.340 -0.000 0.000 0.260 114 R C -0.235 176.075 176.300 0.017 0.000 1.067 114 R CA -0.027 56.082 56.100 0.015 0.000 1.003 114 R CB 1.727 32.040 30.300 0.021 0.000 1.192 114 R HN 0.436 nan 8.270 nan 0.000 0.488 115 T N -2.076 112.474 114.554 -0.006 0.000 2.912 115 T HA 0.741 5.091 4.350 -0.000 0.000 0.299 115 T C -0.915 173.747 174.700 -0.062 0.000 1.052 115 T CA -0.838 61.248 62.100 -0.024 0.000 0.996 115 T CB 1.994 70.831 68.868 -0.051 0.000 1.070 115 T HN 0.651 nan 8.240 nan 0.000 0.465 116 A N 2.868 125.652 122.820 -0.061 0.000 2.355 116 A HA 0.873 5.193 4.320 -0.000 0.000 0.324 116 A C -0.933 176.454 177.584 -0.328 0.000 1.117 116 A CA -0.997 50.964 52.037 -0.127 0.000 0.785 116 A CB 1.357 20.406 19.000 0.083 0.000 1.254 116 A HN 1.112 nan 8.150 nan 0.000 0.453 117 L N 1.731 122.716 121.223 -0.396 0.000 2.365 117 L HA 0.845 5.185 4.340 -0.000 0.000 0.273 117 L C 0.099 176.626 176.870 -0.572 0.000 1.000 117 L CA -0.064 54.417 54.840 -0.599 0.000 0.819 117 L CB 2.055 43.843 42.059 -0.452 0.000 1.284 117 L HN 0.905 nan 8.230 nan 0.000 0.418 118 G N 2.415 110.771 108.800 -0.739 0.000 2.694 118 G HA2 0.595 4.555 3.960 -0.000 0.000 0.290 118 G HA3 0.595 4.555 3.960 -0.000 0.000 0.290 118 G C -1.889 172.693 174.900 -0.530 0.000 1.386 118 G CA -0.478 44.382 45.100 -0.401 0.000 0.872 118 G HN 0.313 nan 8.290 nan 0.000 0.475 119 F N 1.273 121.346 119.950 0.205 0.000 2.359 119 F HA 0.396 4.923 4.527 -0.000 0.000 0.369 119 F C 0.495 176.386 175.800 0.153 0.000 1.084 119 F CA -0.915 57.168 58.000 0.139 0.000 1.096 119 F CB 1.652 40.715 39.000 0.106 0.000 1.335 119 F HN 0.040 nan 8.300 nan 0.000 0.457 120 Q N 4.549 124.512 119.800 0.270 0.000 2.293 120 Q HA 0.296 4.636 4.340 -0.000 0.000 0.251 120 Q C -2.424 173.691 176.000 0.191 0.000 0.930 120 Q CA -1.879 54.047 55.803 0.205 0.000 0.893 120 Q CB 1.344 30.191 28.738 0.182 0.000 1.215 120 Q HN 0.247 nan 8.270 nan 0.000 0.425 121 P HA 0.162 nan 4.420 nan 0.000 0.287 121 P C -0.598 176.730 177.300 0.045 0.000 1.281 121 P CA 0.011 63.159 63.100 0.081 0.000 0.781 121 P CB 1.517 33.226 31.700 0.015 0.000 0.903 122 S N 2.578 118.307 115.700 0.048 0.000 2.998 122 S HA 0.345 4.815 4.470 -0.000 0.000 0.323 122 S C -1.135 173.449 174.600 -0.027 0.000 1.141 122 S CA -0.828 57.397 58.200 0.042 0.000 0.873 122 S CB 0.236 63.533 63.200 0.162 0.000 1.315 122 S HN 0.420 nan 8.310 nan 0.000 0.637 123 Y N 1.871 122.001 120.300 -0.283 0.000 2.729 123 Y HA 0.062 4.612 4.550 -0.000 0.000 0.331 123 Y C 1.368 177.011 175.900 -0.428 0.000 1.208 123 Y CA 0.311 58.161 58.100 -0.418 0.000 1.521 123 Y CB 0.477 38.524 38.460 -0.689 0.000 1.233 123 Y HN 0.638 nan 8.280 nan 0.000 0.539 124 S N 5.441 120.908 115.700 -0.389 0.000 2.442 124 S HA -0.153 4.316 4.470 -0.000 0.000 0.236 124 S C 1.665 175.790 174.600 -0.792 0.000 1.007 124 S CA 0.880 58.821 58.200 -0.431 0.000 0.965 124 S CB -0.072 63.080 63.200 -0.080 0.000 0.773 124 S HN 0.748 nan 8.310 nan 0.000 0.504 125 M N 0.447 119.199 119.600 -1.413 0.000 2.492 125 M HA 0.042 4.521 4.480 -0.000 0.000 0.262 125 M C 1.513 177.362 176.300 -0.752 0.000 1.090 125 M CA 0.961 55.539 55.300 -1.204 0.000 1.110 125 M CB -1.196 30.610 32.600 -1.323 0.000 1.407 125 M HN 0.484 nan 8.290 nan 0.000 0.470 126 H N 0.525 119.093 119.070 -0.837 0.000 2.267 126 H HA -0.113 4.443 4.556 -0.000 0.000 0.297 126 H C -0.541 174.386 175.328 -0.668 0.000 1.080 126 H CA 1.371 56.934 56.048 -0.808 0.000 1.278 126 H CB -1.179 28.012 29.762 -0.952 0.000 1.365 126 H HN 0.255 nan 8.280 nan 0.000 0.489 127 P HA -0.120 nan 4.420 nan 0.000 0.218 127 P C 1.371 178.402 177.300 -0.447 0.000 1.149 127 P CA 1.306 63.837 63.100 -0.949 0.000 0.817 127 P CB -0.055 30.892 31.700 -1.255 0.000 0.785 128 I N -0.894 119.421 120.570 -0.426 0.000 2.252 128 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 128 I C 2.564 178.538 176.117 -0.238 0.000 1.102 128 I CA 1.106 62.216 61.300 -0.316 0.000 1.385 128 I CB -0.591 37.169 38.000 -0.400 0.000 1.064 128 I HN -0.163 nan 8.210 nan 0.000 0.414 129 L N 0.364 121.444 121.223 -0.239 0.000 2.093 129 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 129 L C 2.868 179.710 176.870 -0.047 0.000 1.085 129 L CA 1.150 55.916 54.840 -0.122 0.000 0.755 129 L CB -0.717 41.295 42.059 -0.078 0.000 0.904 129 L HN 0.240 nan 8.230 nan 0.000 0.435 130 A N 0.347 123.161 122.820 -0.010 0.000 1.865 130 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 130 A C 2.400 179.987 177.584 0.004 0.000 1.191 130 A CA 2.225 54.314 52.037 0.087 0.000 0.623 130 A CB -0.551 18.595 19.000 0.242 0.000 0.826 130 A HN 0.322 nan 8.150 nan 0.000 0.444 131 K N -0.849 119.518 120.400 -0.054 0.000 2.032 131 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 131 K C 2.051 178.518 176.600 -0.222 0.000 1.048 131 K CA 1.541 57.770 56.287 -0.097 0.000 0.927 131 K CB -0.617 31.825 32.500 -0.096 0.000 0.712 131 K HN 0.409 nan 8.250 nan 0.000 0.441 132 G N -0.032 108.649 108.800 -0.199 0.000 2.450 132 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 132 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 132 G C 1.362 176.083 174.900 -0.298 0.000 1.130 132 G CA 1.500 46.456 45.100 -0.240 0.000 0.760 132 G HN 0.561 nan 8.290 nan 0.000 0.557 133 T N -2.995 111.456 114.554 -0.172 0.000 3.144 133 T HA 0.138 4.488 4.350 -0.000 0.000 0.249 133 T C 0.909 175.614 174.700 0.007 0.000 1.089 133 T CA 0.344 62.407 62.100 -0.061 0.000 0.989 133 T CB -0.376 68.508 68.868 0.027 0.000 0.992 133 T HN 0.543 nan 8.240 nan 0.000 0.540 134 H N 0.285 119.371 119.070 0.027 0.000 2.791 134 H HA -0.117 4.439 4.556 -0.000 0.000 0.302 134 H C -0.662 174.686 175.328 0.035 0.000 1.198 134 H CA 1.117 57.180 56.048 0.025 0.000 1.145 134 H CB -2.542 27.228 29.762 0.014 0.000 1.385 134 H HN 0.455 nan 8.280 nan 0.000 0.409 135 T N 0.954 115.568 114.554 0.101 0.000 2.767 135 T HA 0.275 4.625 4.350 -0.000 0.000 0.284 135 T C 0.635 175.404 174.700 0.114 0.000 0.973 135 T CA -0.681 61.481 62.100 0.103 0.000 0.996 135 T CB 2.393 71.327 68.868 0.111 0.000 0.927 135 T HN 0.308 nan 8.240 nan 0.000 0.456 136 E N 2.752 123.009 120.200 0.094 0.000 2.344 136 E HA 0.213 4.562 4.350 -0.000 0.000 0.270 136 E C -1.052 175.625 176.600 0.129 0.000 1.021 136 E CA -0.463 55.996 56.400 0.099 0.000 0.887 136 E CB 0.439 30.172 29.700 0.055 0.000 0.997 136 E HN 0.465 nan 8.360 nan 0.000 0.429 137 F N 5.348 125.304 119.950 0.011 0.000 2.408 137 F HA 0.399 4.926 4.527 -0.000 0.000 0.344 137 F C -0.543 175.254 175.800 -0.005 0.000 1.112 137 F CA -0.664 57.343 58.000 0.011 0.000 1.096 137 F CB 0.705 39.711 39.000 0.009 0.000 1.129 137 F HN 0.387 nan 8.300 nan 0.000 0.486 138 I N 6.284 126.463 120.570 -0.651 0.000 2.359 138 I HA 0.372 4.542 4.170 -0.000 0.000 0.284 138 I C -0.256 175.489 176.117 -0.620 0.000 1.018 138 I CA -0.706 60.329 61.300 -0.442 0.000 1.173 138 I CB 1.184 38.990 38.000 -0.323 0.000 1.326 138 I HN 0.709 nan 8.210 nan 0.000 0.462 139 A N 6.928 129.629 122.820 -0.198 0.000 2.362 139 A HA 0.620 4.939 4.320 -0.000 0.000 0.276 139 A C -0.300 177.264 177.584 -0.032 0.000 1.153 139 A CA -0.257 51.773 52.037 -0.011 0.000 0.813 139 A CB 0.480 19.603 19.000 0.206 0.000 1.081 139 A HN 0.476 nan 8.150 nan 0.000 0.507 140 V N 2.889 122.786 119.914 -0.028 0.000 2.495 140 V HA 0.316 4.436 4.120 -0.000 0.000 0.298 140 V C 0.507 176.718 176.094 0.195 0.000 1.031 140 V CA -0.484 61.870 62.300 0.091 0.000 0.871 140 V CB 1.879 33.802 31.823 0.167 0.000 0.988 140 V HN 0.924 nan 8.190 nan 0.000 0.432 141 S N 4.466 120.257 115.700 0.151 0.000 2.548 141 S HA 0.412 4.882 4.470 -0.000 0.000 0.277 141 S C 0.354 175.037 174.600 0.138 0.000 1.315 141 S CA -0.471 57.808 58.200 0.132 0.000 1.050 141 S CB 0.448 63.692 63.200 0.074 0.000 0.918 141 S HN 0.611 nan 8.310 nan 0.000 0.497 142 R N 0.918 121.496 120.500 0.129 0.000 2.649 142 R HA 0.400 4.740 4.340 -0.000 0.000 0.270 142 R C 1.143 177.434 176.300 -0.015 0.000 1.105 142 R CA -0.205 55.940 56.100 0.074 0.000 1.193 142 R CB 0.189 30.560 30.300 0.117 0.000 1.120 142 R HN 0.710 nan 8.270 nan 0.000 0.561 143 G N -0.504 108.268 108.800 -0.047 0.000 2.653 143 G HA2 0.254 4.214 3.960 -0.000 0.000 0.265 143 G HA3 0.254 4.214 3.960 -0.000 0.000 0.265 143 G C 0.772 175.544 174.900 -0.213 0.000 1.237 143 G CA 0.043 45.088 45.100 -0.091 0.000 0.946 143 G HN 0.654 nan 8.290 nan 0.000 0.522 144 A N -0.081 122.623 122.820 -0.194 0.000 1.978 144 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 144 A C 1.854 179.252 177.584 -0.310 0.000 1.170 144 A CA 2.188 54.062 52.037 -0.271 0.000 0.636 144 A CB -0.362 18.561 19.000 -0.129 0.000 0.810 144 A HN 0.663 nan 8.150 nan 0.000 0.448 145 D N -2.785 117.531 120.400 -0.139 0.000 2.324 145 D HA 0.049 4.689 4.640 -0.000 0.000 0.235 145 D C 0.258 176.638 176.300 0.134 0.000 1.095 145 D CA -0.177 53.829 54.000 0.011 0.000 0.871 145 D CB -0.779 40.047 40.800 0.044 0.000 0.906 145 D HN 0.346 nan 8.370 nan 0.000 0.522 146 F N -0.597 119.376 119.950 0.039 0.000 2.935 146 F HA -0.293 4.234 4.527 -0.000 0.000 0.317 146 F C 0.709 176.510 175.800 0.001 0.000 0.699 146 F CA 0.537 58.545 58.000 0.014 0.000 1.127 146 F CB -1.788 37.216 39.000 0.006 0.000 1.491 146 F HN 0.046 nan 8.300 nan 0.000 0.337 147 R N 0.170 120.737 120.500 0.113 0.000 2.549 147 R HA 0.662 5.002 4.340 -0.000 0.000 0.267 147 R C 0.342 176.648 176.300 0.010 0.000 1.045 147 R CA -1.174 54.962 56.100 0.059 0.000 1.115 147 R CB 0.950 31.271 30.300 0.036 0.000 1.121 147 R HN 0.070 nan 8.270 nan 0.000 0.543 148 I N 1.590 122.136 120.570 -0.039 0.000 2.668 148 I HA -0.109 4.061 4.170 -0.000 0.000 0.285 148 I C 0.420 176.466 176.117 -0.118 0.000 1.168 148 I CA 0.391 61.611 61.300 -0.134 0.000 1.424 148 I CB 0.210 38.022 38.000 -0.314 0.000 1.377 148 I HN 0.379 nan 8.210 nan 0.000 0.560 149 D N 7.938 128.280 120.400 -0.095 0.000 2.393 149 D HA 0.070 4.710 4.640 -0.000 0.000 0.232 149 D C 0.899 177.140 176.300 -0.098 0.000 1.192 149 D CA -0.305 53.653 54.000 -0.070 0.000 0.882 149 D CB 0.943 41.722 40.800 -0.034 0.000 1.038 149 D HN 0.378 nan 8.370 nan 0.000 0.499 150 M N 2.451 121.990 119.600 -0.101 0.000 2.117 150 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 150 M C 1.140 177.401 176.300 -0.065 0.000 1.065 150 M CA 1.217 56.451 55.300 -0.110 0.000 1.114 150 M CB -0.617 31.931 32.600 -0.088 0.000 1.361 150 M HN 0.348 nan 8.290 nan 0.000 0.408 151 D N 0.070 120.446 120.400 -0.040 0.000 2.106 151 D HA -0.147 4.493 4.640 -0.000 0.000 0.191 151 D C 2.129 178.425 176.300 -0.007 0.000 0.997 151 D CA 1.218 55.206 54.000 -0.020 0.000 0.834 151 D CB -0.519 40.273 40.800 -0.014 0.000 0.956 151 D HN 0.223 nan 8.370 nan 0.000 0.448 152 V N 0.404 120.316 119.914 -0.002 0.000 2.515 152 V HA -0.145 3.975 4.120 -0.000 0.000 0.250 152 V C 2.038 178.165 176.094 0.055 0.000 1.058 152 V CA 1.976 64.291 62.300 0.024 0.000 1.064 152 V CB -0.449 31.393 31.823 0.032 0.000 0.675 152 V HN 0.183 nan 8.190 nan 0.000 0.461 153 A N 0.345 123.182 122.820 0.029 0.000 1.841 153 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 153 A C 2.158 179.798 177.584 0.092 0.000 1.199 153 A CA 2.319 54.403 52.037 0.078 0.000 0.621 153 A CB -0.786 18.093 19.000 -0.202 0.000 0.835 153 A HN 0.565 nan 8.150 nan 0.000 0.445 154 L N -0.880 120.356 121.223 0.021 0.000 2.083 154 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 154 L C 2.695 179.579 176.870 0.025 0.000 1.083 154 L CA 1.795 56.647 54.840 0.019 0.000 0.752 154 L CB -0.602 41.455 42.059 -0.004 0.000 0.899 154 L HN 0.654 nan 8.230 nan 0.000 0.433 155 E N 0.412 120.626 120.200 0.023 0.000 2.106 155 E HA -0.259 4.091 4.350 -0.000 0.000 0.192 155 E C 1.991 178.605 176.600 0.024 0.000 0.984 155 E CA 1.112 57.523 56.400 0.019 0.000 0.806 155 E CB 0.233 29.942 29.700 0.016 0.000 0.750 155 E HN 0.302 nan 8.360 nan 0.000 0.458 156 E N 0.521 120.746 120.200 0.042 0.000 2.107 156 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 156 E C 1.924 178.535 176.600 0.019 0.000 0.982 156 E CA 0.727 57.147 56.400 0.033 0.000 0.809 156 E CB -0.053 29.679 29.700 0.055 0.000 0.756 156 E HN 0.340 nan 8.360 nan 0.000 0.459 157 I N 0.031 120.626 120.570 0.042 0.000 2.179 157 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 157 I C 2.401 178.518 176.117 0.000 0.000 1.088 157 I CA 1.115 62.426 61.300 0.018 0.000 1.357 157 I CB -0.206 37.822 38.000 0.046 0.000 1.051 157 I HN 0.040 nan 8.210 nan 0.000 0.409 158 R N 0.717 121.221 120.500 0.007 0.000 2.082 158 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 158 R C 2.478 178.776 176.300 -0.003 0.000 1.136 158 R CA 1.818 57.919 56.100 0.001 0.000 0.935 158 R CB -0.634 29.668 30.300 0.004 0.000 0.842 158 R HN 0.387 nan 8.270 nan 0.000 0.430 159 A N 1.079 123.898 122.820 -0.001 0.000 1.908 159 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 159 A C 1.790 179.366 177.584 -0.012 0.000 1.181 159 A CA 1.538 53.572 52.037 -0.005 0.000 0.627 159 A CB -0.149 18.850 19.000 -0.002 0.000 0.818 159 A HN 0.107 nan 8.150 nan 0.000 0.445 160 K N -1.321 119.067 120.400 -0.020 0.000 2.352 160 K HA 0.073 4.393 4.320 -0.000 0.000 0.194 160 K C -0.198 176.380 176.600 -0.036 0.000 1.038 160 K CA 0.142 56.410 56.287 -0.032 0.000 1.023 160 K CB 0.283 32.754 32.500 -0.049 0.000 0.840 160 K HN 0.487 nan 8.250 nan 0.000 0.519 161 Q N 1.001 120.782 119.800 -0.033 0.000 2.447 161 Q HA -0.141 4.199 4.340 -0.000 0.000 0.348 161 Q C -2.349 173.623 176.000 -0.046 0.000 1.421 161 Q CA 0.544 56.328 55.803 -0.033 0.000 0.978 161 Q CB -1.664 27.061 28.738 -0.022 0.000 1.191 161 Q HN 0.316 nan 8.270 nan 0.000 0.371 162 P HA 0.111 nan 4.420 nan 0.000 0.278 162 P C 0.434 177.683 177.300 -0.087 0.000 1.238 162 P CA -0.243 62.802 63.100 -0.092 0.000 0.794 162 P CB 0.770 32.386 31.700 -0.141 0.000 0.955 163 D N 1.281 121.636 120.400 -0.074 0.000 2.178 163 D HA -0.004 4.636 4.640 -0.000 0.000 0.202 163 D C 0.730 176.971 176.300 -0.098 0.000 0.974 163 D CA 1.433 55.401 54.000 -0.053 0.000 0.841 163 D CB 0.319 41.110 40.800 -0.015 0.000 0.953 163 D HN 0.391 nan 8.370 nan 0.000 0.478 164 I N 0.631 121.101 120.570 -0.167 0.000 2.647 164 I HA 0.202 4.372 4.170 -0.000 0.000 0.295 164 I C -0.806 175.089 176.117 -0.370 0.000 1.078 164 I CA -0.813 60.306 61.300 -0.301 0.000 1.048 164 I CB 3.145 40.906 38.000 -0.397 0.000 1.239 164 I HN -0.386 nan 8.210 nan 0.000 0.421 165 V N 5.627 125.306 119.914 -0.391 0.000 2.444 165 V HA 0.415 4.535 4.120 -0.000 0.000 0.294 165 V C -0.628 175.249 176.094 -0.361 0.000 1.022 165 V CA -0.556 61.548 62.300 -0.326 0.000 0.850 165 V CB 1.546 33.287 31.823 -0.138 0.000 0.992 165 V HN 0.389 nan 8.190 nan 0.000 0.426 166 F N 3.649 123.521 119.950 -0.130 0.000 2.411 166 F HA 0.572 5.099 4.527 -0.000 0.000 0.350 166 F C 0.183 176.064 175.800 0.134 0.000 1.114 166 F CA -0.562 57.400 58.000 -0.064 0.000 1.135 166 F CB 1.655 40.583 39.000 -0.120 0.000 1.120 166 F HN 0.181 nan 8.300 nan 0.000 0.495 167 V N 2.887 123.009 119.914 0.346 0.000 2.409 167 V HA 0.279 4.399 4.120 -0.000 0.000 0.290 167 V C -0.369 175.908 176.094 0.305 0.000 1.017 167 V CA -0.770 61.740 62.300 0.350 0.000 0.841 167 V CB 1.537 33.490 31.823 0.217 0.000 1.003 167 V HN 0.739 nan 8.190 nan 0.000 0.426 168 T N 3.057 117.816 114.554 0.341 0.000 2.744 168 T HA 0.516 4.866 4.350 -0.000 0.000 0.291 168 T C 0.066 174.898 174.700 0.220 0.000 0.957 168 T CA -0.186 62.091 62.100 0.296 0.000 1.002 168 T CB 1.141 70.194 68.868 0.308 0.000 0.919 168 T HN 0.710 nan 8.240 nan 0.000 0.468 169 T N 4.762 119.433 114.554 0.195 0.000 3.237 169 T HA 0.454 4.804 4.350 -0.000 0.000 0.319 169 T C -2.914 171.890 174.700 0.174 0.000 1.037 169 T CA -1.718 60.477 62.100 0.157 0.000 1.048 169 T CB 0.996 69.928 68.868 0.108 0.000 1.081 169 T HN 0.152 nan 8.240 nan 0.000 0.455 170 P HA 0.182 nan 4.420 nan 0.000 0.267 170 P C -0.452 176.977 177.300 0.215 0.000 1.200 170 P CA -0.279 62.913 63.100 0.154 0.000 0.772 170 P CB 0.384 32.141 31.700 0.094 0.000 0.855 171 N N 2.263 121.052 118.700 0.148 0.000 2.530 171 N HA 0.077 4.816 4.740 -0.000 0.000 0.273 171 N C -0.387 175.231 175.510 0.181 0.000 1.173 171 N CA -0.027 53.117 53.050 0.156 0.000 0.967 171 N CB -0.016 38.527 38.487 0.093 0.000 1.109 171 N HN 0.247 nan 8.380 nan 0.000 0.453 172 N N 2.939 121.701 118.700 0.104 0.000 2.424 172 N HA 0.411 5.151 4.740 -0.000 0.000 0.271 172 N C -2.358 173.047 175.510 -0.175 0.000 0.985 172 N CA -2.112 50.858 53.050 -0.134 0.000 0.921 172 N CB 1.782 40.182 38.487 -0.145 0.000 1.149 172 N HN 0.396 nan 8.380 nan 0.000 0.492 173 P HA 0.131 nan 4.420 nan 0.000 0.267 173 P C 0.632 177.670 177.300 -0.436 0.000 1.289 173 P CA 0.297 63.090 63.100 -0.511 0.000 0.866 173 P CB 0.293 31.692 31.700 -0.502 0.000 1.309 174 T N -4.644 109.654 114.554 -0.426 0.000 2.978 174 T HA 0.261 4.610 4.350 -0.000 0.000 0.262 174 T C 1.692 176.380 174.700 -0.019 0.000 1.063 174 T CA 1.234 63.086 62.100 -0.413 0.000 1.140 174 T CB -0.902 67.742 68.868 -0.374 0.000 0.886 174 T HN 0.175 nan 8.240 nan 0.000 0.470 175 G N 2.341 111.176 108.800 0.059 0.000 2.195 175 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.224 175 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.224 175 G C -0.240 174.616 174.900 -0.073 0.000 0.990 175 G CA 0.038 45.076 45.100 -0.103 0.000 0.639 175 G HN 0.918 nan 8.290 nan 0.000 0.514 176 D N 0.650 121.051 120.400 0.001 0.000 2.313 176 D HA 0.457 5.097 4.640 -0.000 0.000 0.247 176 D C 0.652 176.973 176.300 0.035 0.000 1.094 176 D CA 0.141 54.154 54.000 0.021 0.000 0.925 176 D CB 2.179 43.008 40.800 0.047 0.000 1.188 176 D HN 0.820 nan 8.370 nan 0.000 0.430 177 V N -0.939 118.994 119.914 0.031 0.000 2.472 177 V HA 0.442 4.562 4.120 -0.000 0.000 0.290 177 V C 0.137 176.249 176.094 0.030 0.000 1.037 177 V CA -0.679 61.646 62.300 0.041 0.000 0.908 177 V CB 1.183 33.028 31.823 0.036 0.000 0.985 177 V HN 0.560 nan 8.190 nan 0.000 0.454 178 T N 4.321 118.894 114.554 0.031 0.000 2.771 178 T HA 0.409 4.759 4.350 -0.000 0.000 0.291 178 T C 0.584 175.287 174.700 0.004 0.000 0.954 178 T CA 0.053 62.156 62.100 0.005 0.000 1.045 178 T CB 0.852 69.715 68.868 -0.007 0.000 0.917 178 T HN 1.231 nan 8.240 nan 0.000 0.484 179 S N 3.850 119.547 115.700 -0.005 0.000 2.573 179 S HA 0.148 4.618 4.470 -0.000 0.000 0.277 179 S C 1.571 176.168 174.600 -0.005 0.000 1.346 179 S CA -0.741 57.459 58.200 -0.001 0.000 1.034 179 S CB 0.260 63.458 63.200 -0.004 0.000 0.879 179 S HN 0.622 nan 8.310 nan 0.000 0.528 180 L N 0.648 121.873 121.223 0.003 0.000 2.083 180 L HA -0.120 4.219 4.340 -0.000 0.000 0.209 180 L C 2.147 179.014 176.870 -0.004 0.000 1.083 180 L CA 1.447 56.289 54.840 0.002 0.000 0.752 180 L CB -0.811 41.258 42.059 0.017 0.000 0.899 180 L HN 0.666 nan 8.230 nan 0.000 0.433 181 D N 0.307 120.708 120.400 0.001 0.000 2.116 181 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 181 D C 1.763 178.051 176.300 -0.020 0.000 0.998 181 D CA 1.394 55.393 54.000 -0.001 0.000 0.836 181 D CB -0.204 40.597 40.800 0.001 0.000 0.951 181 D HN 0.269 nan 8.370 nan 0.000 0.449 182 D N -0.489 119.892 120.400 -0.031 0.000 2.144 182 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 182 D C 2.238 178.495 176.300 -0.071 0.000 0.978 182 D CA 0.304 54.271 54.000 -0.055 0.000 0.833 182 D CB -0.156 40.604 40.800 -0.066 0.000 0.961 182 D HN 0.072 nan 8.370 nan 0.000 0.470 183 V N 1.247 121.125 119.914 -0.061 0.000 2.295 183 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 183 V C 2.287 178.302 176.094 -0.133 0.000 1.049 183 V CA 1.539 63.792 62.300 -0.078 0.000 1.024 183 V CB -0.473 31.316 31.823 -0.056 0.000 0.648 183 V HN 0.216 nan 8.190 nan 0.000 0.447 184 E N 0.229 120.357 120.200 -0.120 0.000 2.070 184 E HA -0.279 4.071 4.350 -0.000 0.000 0.197 184 E C 2.453 178.973 176.600 -0.133 0.000 1.004 184 E CA 1.578 57.880 56.400 -0.163 0.000 0.805 184 E CB -0.271 29.425 29.700 -0.007 0.000 0.744 184 E HN 0.558 nan 8.360 nan 0.000 0.451 185 R N 0.285 120.743 120.500 -0.071 0.000 2.105 185 R HA -0.123 4.217 4.340 -0.000 0.000 0.239 185 R C 2.442 178.702 176.300 -0.067 0.000 1.135 185 R CA 1.146 57.215 56.100 -0.051 0.000 0.967 185 R CB -0.286 29.988 30.300 -0.042 0.000 0.861 185 R HN 0.224 nan 8.270 nan 0.000 0.442 186 I N 0.225 120.743 120.570 -0.087 0.000 2.353 186 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 186 I C 2.116 178.177 176.117 -0.094 0.000 1.119 186 I CA 1.127 62.389 61.300 -0.063 0.000 1.417 186 I CB -0.120 37.858 38.000 -0.037 0.000 1.078 186 I HN 0.107 nan 8.210 nan 0.000 0.421 187 I N 0.866 121.319 120.570 -0.195 0.000 2.179 187 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 187 I C 2.001 178.014 176.117 -0.174 0.000 1.088 187 I CA 1.781 62.914 61.300 -0.278 0.000 1.357 187 I CB -0.565 37.052 38.000 -0.639 0.000 1.051 187 I HN 0.243 nan 8.210 nan 0.000 0.409 188 N N 0.192 118.812 118.700 -0.134 0.000 2.192 188 N HA -0.178 4.562 4.740 -0.000 0.000 0.188 188 N C 1.678 177.190 175.510 0.002 0.000 1.013 188 N CA 1.730 54.783 53.050 0.004 0.000 0.863 188 N CB -0.066 38.449 38.487 0.047 0.000 0.990 188 N HN 0.321 nan 8.380 nan 0.000 0.430 189 V N -2.279 117.624 119.914 -0.018 0.000 3.052 189 V HA 0.300 4.420 4.120 -0.000 0.000 0.254 189 V C 0.869 176.954 176.094 -0.015 0.000 1.100 189 V CA 0.153 62.448 62.300 -0.009 0.000 1.112 189 V CB -0.834 30.987 31.823 -0.004 0.000 0.738 189 V HN 0.150 nan 8.190 nan 0.000 0.469 190 A N 2.646 125.447 122.820 -0.032 0.000 2.409 190 A HA 0.547 4.867 4.320 -0.000 0.000 0.267 190 A C -0.627 176.936 177.584 -0.034 0.000 1.127 190 A CA -0.821 51.191 52.037 -0.043 0.000 0.795 190 A CB 0.243 19.201 19.000 -0.070 0.000 1.061 190 A HN 0.377 nan 8.150 nan 0.000 0.502 191 P HA 0.018 nan 4.420 nan 0.000 0.222 191 P C 1.199 178.486 177.300 -0.021 0.000 1.157 191 P CA 1.471 64.560 63.100 -0.019 0.000 0.816 191 P CB 0.289 31.979 31.700 -0.017 0.000 0.813 192 G N 1.139 109.915 108.800 -0.038 0.000 3.142 192 G HA2 0.423 4.382 3.960 -0.000 0.000 0.178 192 G HA3 0.423 4.382 3.960 -0.000 0.000 0.178 192 G C 0.393 175.248 174.900 -0.074 0.000 1.941 192 G CA -0.102 44.976 45.100 -0.038 0.000 0.902 192 G HN 0.312 nan 8.290 nan 0.000 0.517 193 I N -2.310 118.179 120.570 -0.135 0.000 2.846 193 I HA 0.762 4.932 4.170 -0.000 0.000 0.307 193 I C -1.277 174.692 176.117 -0.245 0.000 1.053 193 I CA -1.180 59.998 61.300 -0.205 0.000 1.050 193 I CB 2.565 40.358 38.000 -0.345 0.000 1.239 193 I HN 0.120 nan 8.210 nan 0.000 0.439 194 V N 5.214 124.974 119.914 -0.257 0.000 2.409 194 V HA 0.439 4.559 4.120 -0.000 0.000 0.291 194 V C -0.059 175.863 176.094 -0.287 0.000 1.020 194 V CA -0.347 61.802 62.300 -0.251 0.000 0.848 194 V CB 1.525 33.238 31.823 -0.184 0.000 0.990 194 V HN 0.517 nan 8.190 nan 0.000 0.430 195 I N 5.413 125.802 120.570 -0.302 0.000 2.307 195 I HA 0.307 4.477 4.170 -0.000 0.000 0.289 195 I C -0.229 175.864 176.117 -0.040 0.000 1.021 195 I CA -0.532 60.636 61.300 -0.219 0.000 1.224 195 I CB 1.590 39.452 38.000 -0.231 0.000 1.376 195 I HN 0.277 nan 8.210 nan 0.000 0.470 196 V N 5.613 125.510 119.914 -0.028 0.000 2.353 196 V HA 0.087 4.207 4.120 -0.000 0.000 0.264 196 V C 0.214 176.362 176.094 0.091 0.000 1.049 196 V CA -0.348 61.981 62.300 0.050 0.000 0.896 196 V CB 1.052 32.885 31.823 0.018 0.000 1.025 196 V HN 0.605 nan 8.190 nan 0.000 0.475 197 D N 4.715 125.221 120.400 0.177 0.000 2.393 197 D HA 0.119 4.759 4.640 -0.000 0.000 0.232 197 D C 0.572 176.951 176.300 0.132 0.000 1.192 197 D CA -0.081 54.031 54.000 0.186 0.000 0.882 197 D CB 0.806 41.811 40.800 0.341 0.000 1.038 197 D HN 0.620 nan 8.370 nan 0.000 0.499 198 E N 2.505 122.745 120.200 0.065 0.000 2.405 198 E HA 0.162 4.512 4.350 -0.000 0.000 0.214 198 E C 1.279 177.871 176.600 -0.013 0.000 1.101 198 E CA -0.388 56.045 56.400 0.055 0.000 1.254 198 E CB 0.634 30.362 29.700 0.046 0.000 1.240 198 E HN 0.525 nan 8.360 nan 0.000 0.439 199 A N 0.217 122.974 122.820 -0.104 0.000 1.958 199 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 199 A C 1.171 178.493 177.584 -0.437 0.000 1.178 199 A CA 1.436 53.254 52.037 -0.364 0.000 0.642 199 A CB -0.385 18.220 19.000 -0.660 0.000 0.816 199 A HN 0.380 nan 8.150 nan 0.000 0.453 200 Y N -1.242 119.163 120.300 0.176 0.000 2.555 200 Y HA 0.494 5.044 4.550 -0.000 0.000 0.259 200 Y C 2.181 178.219 175.900 0.231 0.000 1.179 200 Y CA -0.391 57.890 58.100 0.302 0.000 1.230 200 Y CB -0.528 38.111 38.460 0.299 0.000 1.146 200 Y HN 0.291 nan 8.280 nan 0.000 0.526 201 A N 0.525 123.462 122.820 0.195 0.000 1.927 201 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 201 A C 1.948 179.577 177.584 0.075 0.000 1.185 201 A CA 2.242 54.355 52.037 0.126 0.000 0.639 201 A CB -0.381 18.669 19.000 0.084 0.000 0.820 201 A HN 0.418 nan 8.150 nan 0.000 0.451 202 E N -1.016 119.178 120.200 -0.010 0.000 2.267 202 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 202 E C 1.244 177.713 176.600 -0.218 0.000 0.998 202 E CA 1.120 57.425 56.400 -0.159 0.000 0.830 202 E CB -0.353 29.158 29.700 -0.314 0.000 0.751 202 E HN 0.734 nan 8.360 nan 0.000 0.491 203 F N -0.428 119.560 119.950 0.063 0.000 2.710 203 F HA 0.157 4.683 4.527 -0.000 0.000 0.298 203 F C 0.996 176.798 175.800 0.004 0.000 1.137 203 F CA 0.188 58.206 58.000 0.031 0.000 1.444 203 F CB 0.364 39.380 39.000 0.027 0.000 1.111 203 F HN -0.233 nan 8.300 nan 0.000 0.580 204 S N 0.771 116.562 115.700 0.152 0.000 2.482 204 S HA 0.368 4.838 4.470 -0.000 0.000 0.303 204 S C -1.660 172.970 174.600 0.049 0.000 1.091 204 S CA -1.535 56.718 58.200 0.088 0.000 1.057 204 S CB 1.392 64.642 63.200 0.083 0.000 1.031 204 S HN -0.128 nan 8.310 nan 0.000 0.485 205 P HA 0.052 nan 4.420 nan 0.000 0.237 205 P C 0.377 177.687 177.300 0.016 0.000 1.178 205 P CA 0.116 63.226 63.100 0.017 0.000 0.766 205 P CB -0.370 31.338 31.700 0.014 0.000 0.876 206 S N 1.745 117.460 115.700 0.024 0.000 2.573 206 S HA 0.239 4.709 4.470 -0.000 0.000 0.277 206 S C -1.945 172.667 174.600 0.021 0.000 1.346 206 S CA -1.034 57.180 58.200 0.023 0.000 1.034 206 S CB -0.745 62.472 63.200 0.028 0.000 0.879 206 S HN 0.059 nan 8.310 nan 0.000 0.528 207 P HA 0.195 nan 4.420 nan 0.000 0.272 207 P C -0.159 177.155 177.300 0.023 0.000 1.223 207 P CA -0.398 62.711 63.100 0.016 0.000 0.784 207 P CB 0.680 32.389 31.700 0.015 0.000 0.923 208 S N 0.976 116.689 115.700 0.022 0.000 2.576 208 S HA 0.310 4.780 4.470 -0.000 0.000 0.276 208 S C 1.520 176.139 174.600 0.033 0.000 1.339 208 S CA -0.038 58.181 58.200 0.031 0.000 1.039 208 S CB 0.092 63.310 63.200 0.030 0.000 0.902 208 S HN 0.489 nan 8.310 nan 0.000 0.516 209 A N 2.949 125.789 122.820 0.034 0.000 2.259 209 A HA 0.007 4.327 4.320 -0.000 0.000 0.212 209 A C 2.070 179.676 177.584 0.037 0.000 1.178 209 A CA 1.600 53.654 52.037 0.028 0.000 0.734 209 A CB -1.297 17.712 19.000 0.014 0.000 0.774 209 A HN 1.056 nan 8.150 nan 0.000 0.481 210 T N -2.514 112.066 114.554 0.043 0.000 2.995 210 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 210 T C 1.754 176.486 174.700 0.054 0.000 1.091 210 T CA 1.777 63.910 62.100 0.054 0.000 1.128 210 T CB -1.167 67.738 68.868 0.062 0.000 0.891 210 T HN 0.621 nan 8.240 nan 0.000 0.492 211 T N 0.827 115.409 114.554 0.046 0.000 2.977 211 T HA 0.113 4.463 4.350 -0.000 0.000 0.271 211 T C 1.703 176.442 174.700 0.066 0.000 1.105 211 T CA 0.592 62.720 62.100 0.046 0.000 1.116 211 T CB -0.680 68.210 68.868 0.036 0.000 0.878 211 T HN 0.473 nan 8.240 nan 0.000 0.509 212 L N -0.292 120.984 121.223 0.088 0.000 2.592 212 L HA 0.353 4.693 4.340 -0.000 0.000 0.227 212 L C 2.253 179.229 176.870 0.178 0.000 1.127 212 L CA -0.031 54.904 54.840 0.159 0.000 0.884 212 L CB -0.427 41.735 42.059 0.173 0.000 1.065 212 L HN 0.221 nan 8.230 nan 0.000 0.457 213 L N 0.208 121.497 121.223 0.109 0.000 2.046 213 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 213 L C 2.538 179.461 176.870 0.087 0.000 1.077 213 L CA 1.426 56.327 54.840 0.101 0.000 0.747 213 L CB -0.280 41.827 42.059 0.081 0.000 0.896 213 L HN 0.322 nan 8.230 nan 0.000 0.432 214 E N 0.294 120.527 120.200 0.056 0.000 2.130 214 E HA -0.309 4.040 4.350 -0.000 0.000 0.196 214 E C 2.151 178.731 176.600 -0.034 0.000 0.998 214 E CA 1.587 57.998 56.400 0.019 0.000 0.806 214 E CB 0.116 29.821 29.700 0.008 0.000 0.738 214 E HN 0.250 nan 8.360 nan 0.000 0.459 215 K N -1.068 119.286 120.400 -0.076 0.000 2.186 215 K HA -0.053 4.267 4.320 -0.000 0.000 0.202 215 K C -0.085 176.190 176.600 -0.541 0.000 1.052 215 K CA 0.683 56.773 56.287 -0.327 0.000 0.965 215 K CB 0.305 32.567 32.500 -0.397 0.000 0.746 215 K HN 0.111 nan 8.250 nan 0.000 0.457 216 Y N 0.252 120.558 120.300 0.011 0.000 2.480 216 Y HA 0.259 4.809 4.550 -0.000 0.000 0.356 216 Y C -2.061 173.857 175.900 0.029 0.000 0.922 216 Y CA -2.113 55.993 58.100 0.009 0.000 1.146 216 Y CB 1.183 39.639 38.460 -0.007 0.000 1.185 216 Y HN 0.106 nan 8.280 nan 0.000 0.624 217 P HA -0.140 nan 4.420 nan 0.000 0.221 217 P C 1.382 178.804 177.300 0.204 0.000 1.150 217 P CA 1.575 64.762 63.100 0.146 0.000 0.800 217 P CB 0.203 31.955 31.700 0.086 0.000 0.787 218 T N -4.453 110.189 114.554 0.147 0.000 3.107 218 T HA 0.215 4.565 4.350 -0.000 0.000 0.249 218 T C 1.524 176.318 174.700 0.157 0.000 1.096 218 T CA 0.300 62.465 62.100 0.108 0.000 1.012 218 T CB -0.160 68.728 68.868 0.034 0.000 0.977 218 T HN 0.107 nan 8.240 nan 0.000 0.527 219 K N -0.614 119.888 120.400 0.170 0.000 2.412 219 K HA 0.370 4.690 4.320 -0.000 0.000 0.201 219 K C -0.178 176.372 176.600 -0.083 0.000 1.275 219 K CA -0.340 55.981 56.287 0.056 0.000 0.910 219 K CB 0.344 32.869 32.500 0.043 0.000 1.346 219 K HN 0.186 nan 8.250 nan 0.000 0.490 220 L N 2.219 123.391 121.223 -0.086 0.000 2.276 220 L HA 0.302 4.642 4.340 -0.000 0.000 0.286 220 L C -1.029 175.572 176.870 -0.449 0.000 1.061 220 L CA -0.380 54.331 54.840 -0.216 0.000 0.807 220 L CB 1.528 43.539 42.059 -0.081 0.000 1.177 220 L HN -0.232 nan 8.230 nan 0.000 0.429 221 V N 5.647 125.235 119.914 -0.545 0.000 2.540 221 V HA 0.491 4.611 4.120 -0.000 0.000 0.302 221 V C -0.578 175.340 176.094 -0.293 0.000 1.035 221 V CA -0.774 61.151 62.300 -0.625 0.000 0.873 221 V CB 2.009 33.253 31.823 -0.965 0.000 0.992 221 V HN 0.462 nan 8.190 nan 0.000 0.428 222 V N 3.407 123.242 119.914 -0.133 0.000 2.347 222 V HA 0.407 4.527 4.120 -0.000 0.000 0.280 222 V C 0.379 176.496 176.094 0.038 0.000 1.021 222 V CA -0.222 62.063 62.300 -0.024 0.000 0.847 222 V CB 1.603 33.438 31.823 0.021 0.000 0.990 222 V HN 0.881 nan 8.190 nan 0.000 0.444 223 S N 6.285 122.001 115.700 0.025 0.000 2.537 223 S HA 0.669 5.139 4.470 -0.000 0.000 0.275 223 S C -0.240 174.308 174.600 -0.086 0.000 1.272 223 S CA -0.655 57.567 58.200 0.037 0.000 1.050 223 S CB 0.351 63.606 63.200 0.092 0.000 0.961 223 S HN 0.687 nan 8.310 nan 0.000 0.496 224 R N 1.599 121.922 120.500 -0.295 0.000 2.855 224 R HA 0.639 4.979 4.340 -0.000 0.000 0.266 224 R C -0.753 175.281 176.300 -0.442 0.000 1.034 224 R CA -0.764 55.054 56.100 -0.471 0.000 0.944 224 R CB 1.255 31.016 30.300 -0.898 0.000 1.219 224 R HN 0.654 nan 8.270 nan 0.000 0.474 225 T N -0.458 113.967 114.554 -0.214 0.000 2.868 225 T HA 0.415 4.765 4.350 -0.000 0.000 0.306 225 T C 0.113 174.914 174.700 0.168 0.000 1.224 225 T CA -0.530 61.566 62.100 -0.007 0.000 1.012 225 T CB 1.301 70.148 68.868 -0.035 0.000 1.221 225 T HN 0.482 nan 8.240 nan 0.000 0.499 226 M N 1.991 121.694 119.600 0.171 0.000 2.431 226 M HA 0.173 4.653 4.480 -0.000 0.000 0.237 226 M C 1.519 177.952 176.300 0.223 0.000 1.130 226 M CA 0.028 55.419 55.300 0.152 0.000 1.002 226 M CB 0.267 32.822 32.600 -0.074 0.000 1.524 226 M HN 0.445 nan 8.290 nan 0.000 0.482 227 S N 0.057 115.852 115.700 0.158 0.000 2.501 227 S HA 0.069 4.539 4.470 -0.000 0.000 0.220 227 S C 1.592 176.297 174.600 0.175 0.000 0.997 227 S CA 0.497 58.782 58.200 0.141 0.000 0.919 227 S CB 0.306 63.551 63.200 0.076 0.000 0.778 227 S HN 0.346 nan 8.310 nan 0.000 0.523 228 K N 1.768 122.286 120.400 0.196 0.000 3.533 228 K HA 0.459 4.779 4.320 -0.000 0.000 0.215 228 K C 2.237 179.049 176.600 0.353 0.000 1.143 228 K CA 0.706 57.176 56.287 0.305 0.000 1.479 228 K CB -1.316 31.373 32.500 0.315 0.000 2.075 228 K HN 0.126 nan 8.250 nan 0.000 0.476 229 A N 1.060 124.018 122.820 0.230 0.000 1.940 229 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 229 A C 1.924 179.517 177.584 0.015 0.000 1.176 229 A CA 1.547 53.516 52.037 -0.114 0.000 0.631 229 A CB -0.759 17.818 19.000 -0.704 0.000 0.814 229 A HN 0.314 nan 8.150 nan 0.000 0.446 230 F N -0.240 119.712 119.950 0.004 0.000 2.771 230 F HA 0.092 4.619 4.527 -0.000 0.000 0.299 230 F C 0.788 176.640 175.800 0.086 0.000 1.177 230 F CA 0.581 58.575 58.000 -0.009 0.000 1.450 230 F CB -0.448 38.517 39.000 -0.057 0.000 1.114 230 F HN 0.452 nan 8.300 nan 0.000 0.587 231 D N -1.466 119.134 120.400 0.333 0.000 2.800 231 D HA -0.306 4.334 4.640 -0.000 0.000 0.232 231 D C -0.050 176.482 176.300 0.387 0.000 1.137 231 D CA 0.626 54.809 54.000 0.304 0.000 0.718 231 D CB -1.707 39.250 40.800 0.261 0.000 1.084 231 D HN 0.240 nan 8.370 nan 0.000 0.432 232 F N -1.175 118.841 119.950 0.110 0.000 2.608 232 F HA 0.623 5.150 4.527 -0.000 0.000 0.383 232 F C 1.423 177.241 175.800 0.031 0.000 1.371 232 F CA 0.217 58.245 58.000 0.046 0.000 1.123 232 F CB -0.215 38.780 39.000 -0.008 0.000 1.207 232 F HN 0.061 nan 8.300 nan 0.000 0.512 233 A N 0.208 123.053 122.820 0.042 0.000 1.940 233 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 233 A C 2.475 179.998 177.584 -0.101 0.000 1.176 233 A CA 2.035 54.073 52.037 0.003 0.000 0.631 233 A CB -1.210 17.810 19.000 0.035 0.000 0.814 233 A HN 0.532 nan 8.150 nan 0.000 0.446 234 G N -0.831 107.848 108.800 -0.202 0.000 2.470 234 G HA2 0.056 4.016 3.960 -0.000 0.000 0.220 234 G HA3 0.056 4.016 3.960 -0.000 0.000 0.220 234 G C 1.306 175.999 174.900 -0.344 0.000 1.121 234 G CA 1.112 46.063 45.100 -0.248 0.000 0.766 234 G HN 0.746 nan 8.290 nan 0.000 0.553 235 G N -0.160 108.293 108.800 -0.579 0.000 2.813 235 G HA2 0.086 4.046 3.960 -0.000 0.000 0.209 235 G HA3 0.086 4.046 3.960 -0.000 0.000 0.209 235 G C 0.718 175.545 174.900 -0.123 0.000 1.150 235 G CA -0.353 44.470 45.100 -0.462 0.000 0.785 235 G HN 0.252 nan 8.290 nan 0.000 0.535 236 R N -0.756 119.697 120.500 -0.078 0.000 2.939 236 R HA -0.139 4.201 4.340 -0.000 0.000 0.255 236 R C -0.880 175.437 176.300 0.028 0.000 0.882 236 R CA 0.326 56.423 56.100 -0.005 0.000 0.658 236 R CB -1.975 28.322 30.300 -0.005 0.000 1.447 236 R HN 0.295 nan 8.270 nan 0.000 0.506 237 L N 0.929 122.189 121.223 0.062 0.000 2.457 237 L HA 0.592 4.932 4.340 -0.000 0.000 0.266 237 L C 0.317 177.257 176.870 0.116 0.000 0.979 237 L CA 0.053 54.932 54.840 0.066 0.000 0.857 237 L CB 1.758 43.847 42.059 0.051 0.000 1.213 237 L HN 0.509 nan 8.230 nan 0.000 0.418 238 G N 3.592 112.468 108.800 0.126 0.000 2.489 238 G HA2 0.687 4.647 3.960 -0.000 0.000 0.327 238 G HA3 0.687 4.647 3.960 -0.000 0.000 0.327 238 G C -1.702 173.342 174.900 0.241 0.000 1.189 238 G CA -0.348 44.846 45.100 0.156 0.000 0.962 238 G HN 0.594 nan 8.290 nan 0.000 0.486 239 Y N -1.264 119.078 120.300 0.071 0.000 2.656 239 Y HA 0.772 5.322 4.550 -0.000 0.000 0.334 239 Y C -1.402 174.621 175.900 0.205 0.000 1.179 239 Y CA -2.524 55.607 58.100 0.053 0.000 1.050 239 Y CB 1.229 39.675 38.460 -0.022 0.000 1.308 239 Y HN 0.821 nan 8.280 nan 0.000 0.456 240 F N -0.334 119.782 119.950 0.276 0.000 2.620 240 F HA 0.920 5.447 4.527 -0.000 0.000 0.320 240 F C -2.012 173.932 175.800 0.240 0.000 1.069 240 F CA -2.058 56.036 58.000 0.157 0.000 0.953 240 F CB 1.527 40.601 39.000 0.123 0.000 1.322 240 F HN 0.393 nan 8.300 nan 0.000 0.479 241 V N 2.074 122.313 119.914 0.542 0.000 2.444 241 V HA 0.942 5.061 4.120 -0.000 0.000 0.294 241 V C -0.208 176.087 176.094 0.335 0.000 1.022 241 V CA -0.058 62.481 62.300 0.399 0.000 0.850 241 V CB 0.375 32.357 31.823 0.266 0.000 0.992 241 V HN 1.370 nan 8.190 nan 0.000 0.426 242 A N 3.785 126.816 122.820 0.352 0.000 2.493 242 A HA 0.579 4.899 4.320 -0.000 0.000 0.300 242 A C -0.655 177.092 177.584 0.272 0.000 1.152 242 A CA -0.742 51.413 52.037 0.198 0.000 0.643 242 A CB 1.097 20.085 19.000 -0.020 0.000 1.316 242 A HN 0.660 nan 8.150 nan 0.000 0.469 243 N N 0.149 119.030 118.700 0.301 0.000 2.454 243 N HA 0.093 4.833 4.740 -0.000 0.000 0.254 243 N C -1.686 174.015 175.510 0.317 0.000 1.228 243 N CA -0.898 52.324 53.050 0.287 0.000 0.900 243 N CB 1.056 39.707 38.487 0.274 0.000 1.089 243 N HN 0.140 nan 8.380 nan 0.000 0.449 244 P HA -0.164 nan 4.420 nan 0.000 0.218 244 P C 0.743 178.127 177.300 0.140 0.000 1.146 244 P CA 1.429 64.631 63.100 0.171 0.000 0.820 244 P CB 0.078 31.844 31.700 0.109 0.000 0.778 245 A N -1.740 121.132 122.820 0.087 0.000 1.978 245 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 245 A C 1.859 179.417 177.584 -0.044 0.000 1.170 245 A CA 1.394 53.416 52.037 -0.026 0.000 0.636 245 A CB -1.724 17.201 19.000 -0.126 0.000 0.810 245 A HN 0.116 nan 8.150 nan 0.000 0.448 246 F N -0.673 119.352 119.950 0.124 0.000 2.234 246 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 246 F C 1.929 177.857 175.800 0.213 0.000 1.087 246 F CA 0.870 58.975 58.000 0.174 0.000 1.340 246 F CB -0.307 38.734 39.000 0.068 0.000 1.031 246 F HN 0.115 nan 8.300 nan 0.000 0.500 247 I N 0.152 120.913 120.570 0.318 0.000 2.202 247 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 247 I C 2.006 178.041 176.117 -0.136 0.000 1.091 247 I CA 1.397 62.712 61.300 0.025 0.000 1.368 247 I CB -0.772 37.274 38.000 0.077 0.000 1.058 247 I HN 0.008 nan 8.210 nan 0.000 0.410 248 D N 0.672 121.045 120.400 -0.045 0.000 2.123 248 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 248 D C 2.295 178.522 176.300 -0.121 0.000 0.992 248 D CA 1.637 55.586 54.000 -0.085 0.000 0.833 248 D CB -0.382 40.385 40.800 -0.055 0.000 0.954 248 D HN 0.368 nan 8.370 nan 0.000 0.455 249 A N 0.898 123.668 122.820 -0.082 0.000 1.865 249 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 249 A C 2.509 179.988 177.584 -0.176 0.000 1.191 249 A CA 2.486 54.445 52.037 -0.131 0.000 0.623 249 A CB -0.934 18.055 19.000 -0.018 0.000 0.826 249 A HN 0.239 nan 8.150 nan 0.000 0.444 250 V N -3.103 116.711 119.914 -0.166 0.000 2.809 250 V HA -0.135 3.985 4.120 -0.000 0.000 0.256 250 V C 2.222 178.088 176.094 -0.380 0.000 1.080 250 V CA 1.882 64.021 62.300 -0.267 0.000 1.102 250 V CB -0.980 30.647 31.823 -0.327 0.000 0.705 250 V HN 0.476 nan 8.190 nan 0.000 0.475 251 M N 0.032 119.369 119.600 -0.438 0.000 2.446 251 M HA 0.025 4.505 4.480 -0.000 0.000 0.263 251 M C 1.876 178.081 176.300 -0.158 0.000 1.066 251 M CA 1.617 56.739 55.300 -0.296 0.000 1.087 251 M CB -0.326 32.132 32.600 -0.236 0.000 1.406 251 M HN 0.373 nan 8.290 nan 0.000 0.459 252 L N -0.892 120.238 121.223 -0.156 0.000 2.418 252 L HA -0.032 4.308 4.340 -0.000 0.000 0.218 252 L C 2.048 178.859 176.870 -0.099 0.000 1.125 252 L CA 0.269 55.038 54.840 -0.118 0.000 0.835 252 L CB -0.388 41.593 42.059 -0.130 0.000 0.953 252 L HN 0.271 nan 8.230 nan 0.000 0.454 253 V N -2.652 117.199 119.914 -0.105 0.000 3.570 253 V HA 0.153 4.273 4.120 -0.000 0.000 0.257 253 V C 1.107 177.178 176.094 -0.037 0.000 1.272 253 V CA -0.507 61.753 62.300 -0.067 0.000 1.079 253 V CB -0.285 31.498 31.823 -0.067 0.000 0.829 253 V HN 0.398 nan 8.190 nan 0.000 0.454 254 R N 1.826 122.296 120.500 -0.050 0.000 2.623 254 R HA 0.343 4.683 4.340 -0.000 0.000 0.271 254 R C -0.235 176.055 176.300 -0.018 0.000 1.043 254 R CA -0.167 55.904 56.100 -0.048 0.000 1.083 254 R CB -0.400 29.881 30.300 -0.031 0.000 0.974 254 R HN 0.433 nan 8.270 nan 0.000 0.436 255 L N 4.422 125.650 121.223 0.008 0.000 2.455 255 L HA 0.249 4.589 4.340 -0.000 0.000 0.272 255 L C -1.642 175.301 176.870 0.121 0.000 1.174 255 L CA -1.972 52.915 54.840 0.078 0.000 0.869 255 L CB 0.511 42.646 42.059 0.127 0.000 1.130 255 L HN 0.609 nan 8.230 nan 0.000 0.474 256 P HA -0.038 nan 4.420 nan 0.000 0.268 256 P C -0.824 176.550 177.300 0.124 0.000 1.204 256 P CA 0.106 63.190 63.100 -0.026 0.000 0.768 256 P CB 0.255 31.895 31.700 -0.101 0.000 0.842 257 Y N -0.151 120.261 120.300 0.186 0.000 3.689 257 Y HA -0.268 4.281 4.550 -0.000 0.000 0.221 257 Y C 1.963 177.959 175.900 0.159 0.000 1.247 257 Y CA 1.014 59.210 58.100 0.160 0.000 1.671 257 Y CB -3.174 35.398 38.460 0.187 0.000 1.521 257 Y HN 0.608 nan 8.280 nan 0.000 0.632 258 H N -1.191 117.971 119.070 0.154 0.000 2.489 258 H HA 0.088 4.644 4.556 -0.000 0.000 0.293 258 H C 0.588 175.963 175.328 0.078 0.000 1.066 258 H CA 0.999 57.119 56.048 0.120 0.000 1.305 258 H CB 0.225 30.053 29.762 0.110 0.000 1.386 258 H HN 0.370 nan 8.280 nan 0.000 0.551 259 L N 3.208 124.150 121.223 -0.469 0.000 2.298 259 L HA 0.229 4.569 4.340 -0.000 0.000 0.284 259 L C 0.134 176.921 176.870 -0.139 0.000 1.013 259 L CA -0.706 53.901 54.840 -0.388 0.000 0.824 259 L CB 1.442 43.130 42.059 -0.618 0.000 1.221 259 L HN 0.368 nan 8.230 nan 0.000 0.418 260 S N 3.064 118.721 115.700 -0.071 0.000 2.589 260 S HA 0.391 4.861 4.470 -0.000 0.000 0.265 260 S C 1.405 175.984 174.600 -0.036 0.000 1.342 260 S CA 0.027 58.210 58.200 -0.027 0.000 1.005 260 S CB 0.943 64.128 63.200 -0.025 0.000 0.909 260 S HN 0.764 nan 8.310 nan 0.000 0.555 261 A N 1.248 124.055 122.820 -0.022 0.000 1.902 261 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 261 A C 2.186 179.755 177.584 -0.025 0.000 1.181 261 A CA 1.350 53.374 52.037 -0.021 0.000 0.623 261 A CB -1.032 17.956 19.000 -0.020 0.000 0.818 261 A HN 0.833 nan 8.150 nan 0.000 0.443 262 L N -0.662 120.547 121.223 -0.024 0.000 2.109 262 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 262 L C 2.809 179.675 176.870 -0.006 0.000 1.086 262 L CA 1.185 56.016 54.840 -0.014 0.000 0.760 262 L CB -0.388 41.661 42.059 -0.016 0.000 0.910 262 L HN 0.311 nan 8.230 nan 0.000 0.437 263 S N -0.426 115.261 115.700 -0.021 0.000 2.356 263 S HA -0.227 4.243 4.470 -0.000 0.000 0.223 263 S C 1.943 176.529 174.600 -0.023 0.000 1.032 263 S CA 1.304 59.494 58.200 -0.016 0.000 1.005 263 S CB -0.183 62.989 63.200 -0.047 0.000 0.867 263 S HN 0.457 nan 8.310 nan 0.000 0.449 264 Q N 0.735 120.501 119.800 -0.058 0.000 2.046 264 Q HA -0.023 4.317 4.340 -0.000 0.000 0.200 264 Q C 2.582 178.546 176.000 -0.060 0.000 0.975 264 Q CA 1.370 57.125 55.803 -0.081 0.000 0.836 264 Q CB -0.388 28.298 28.738 -0.088 0.000 0.896 264 Q HN 0.580 nan 8.270 nan 0.000 0.428 265 A N 1.304 124.103 122.820 -0.035 0.000 1.877 265 A HA -0.151 4.168 4.320 -0.000 0.000 0.216 265 A C 2.330 179.905 177.584 -0.014 0.000 1.186 265 A CA 1.734 53.756 52.037 -0.025 0.000 0.620 265 A CB -0.901 18.091 19.000 -0.012 0.000 0.822 265 A HN 0.402 nan 8.150 nan 0.000 0.443 266 A N -0.284 122.555 122.820 0.031 0.000 1.933 266 A HA 0.167 4.487 4.320 -0.000 0.000 0.218 266 A C 2.491 180.079 177.584 0.007 0.000 1.175 266 A CA 2.108 54.212 52.037 0.111 0.000 0.628 266 A CB -0.960 18.190 19.000 0.252 0.000 0.814 266 A HN 1.054 nan 8.150 nan 0.000 0.444 267 A N -0.069 122.740 122.820 -0.018 0.000 1.898 267 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 267 A C 2.095 179.501 177.584 -0.297 0.000 1.181 267 A CA 1.421 53.331 52.037 -0.213 0.000 0.620 267 A CB -0.603 18.308 19.000 -0.148 0.000 0.819 267 A HN 0.482 nan 8.150 nan 0.000 0.442 268 I N -0.381 120.079 120.570 -0.184 0.000 2.163 268 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 268 I C 2.364 178.403 176.117 -0.131 0.000 1.085 268 I CA 1.309 62.518 61.300 -0.152 0.000 1.347 268 I CB -0.353 37.589 38.000 -0.097 0.000 1.044 268 I HN 0.162 nan 8.210 nan 0.000 0.408 269 V N 0.938 120.790 119.914 -0.103 0.000 2.287 269 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 269 V C 2.698 178.759 176.094 -0.055 0.000 1.053 269 V CA 2.092 64.370 62.300 -0.036 0.000 1.027 269 V CB -1.054 30.757 31.823 -0.020 0.000 0.646 269 V HN 0.524 nan 8.190 nan 0.000 0.447 270 A N -0.385 122.240 122.820 -0.325 0.000 1.902 270 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 270 A C 2.199 179.651 177.584 -0.221 0.000 1.181 270 A CA 1.771 53.538 52.037 -0.449 0.000 0.623 270 A CB -0.557 17.738 19.000 -1.176 0.000 0.818 270 A HN 0.512 nan 8.150 nan 0.000 0.443 271 L N -0.342 120.704 121.223 -0.295 0.000 2.131 271 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 271 L C 2.685 179.543 176.870 -0.020 0.000 1.092 271 L CA 1.684 56.419 54.840 -0.175 0.000 0.759 271 L CB -0.398 41.516 42.059 -0.241 0.000 0.903 271 L HN 0.596 nan 8.230 nan 0.000 0.435 272 R N -1.353 119.122 120.500 -0.041 0.000 2.307 272 R HA -0.083 4.257 4.340 -0.000 0.000 0.199 272 R C 0.825 176.996 176.300 -0.214 0.000 1.000 272 R CA 0.959 56.999 56.100 -0.100 0.000 1.023 272 R CB -0.381 29.841 30.300 -0.130 0.000 0.908 272 R HN 0.366 nan 8.270 nan 0.000 0.473 273 H N 0.219 119.277 119.070 -0.019 0.000 2.528 273 H HA 0.169 4.725 4.556 -0.000 0.000 0.282 273 H C 1.472 176.812 175.328 0.021 0.000 1.097 273 H CA 0.355 56.400 56.048 -0.005 0.000 1.121 273 H CB 1.048 30.797 29.762 -0.021 0.000 1.590 273 H HN 0.369 nan 8.280 nan 0.000 0.553 274 S N -0.154 115.624 115.700 0.130 0.000 2.368 274 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 274 S C 2.431 177.016 174.600 -0.026 0.000 1.030 274 S CA 0.794 59.049 58.200 0.092 0.000 0.999 274 S CB -0.293 63.007 63.200 0.166 0.000 0.844 274 S HN 0.415 nan 8.310 nan 0.000 0.459 275 A N 2.183 125.008 122.820 0.007 0.000 1.883 275 A HA -0.171 4.148 4.320 -0.000 0.000 0.217 275 A C 1.989 179.556 177.584 -0.028 0.000 1.186 275 A CA 2.061 54.088 52.037 -0.017 0.000 0.624 275 A CB -1.363 17.630 19.000 -0.011 0.000 0.822 275 A HN 0.646 nan 8.150 nan 0.000 0.444 276 D N -1.443 118.956 120.400 -0.000 0.000 2.097 276 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 276 D C 1.970 178.259 176.300 -0.017 0.000 0.984 276 D CA 1.986 55.987 54.000 0.002 0.000 0.826 276 D CB -0.177 40.652 40.800 0.048 0.000 0.973 276 D HN 0.341 nan 8.370 nan 0.000 0.460 277 T N 0.116 114.671 114.554 0.001 0.000 2.684 277 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 277 T C 1.890 176.543 174.700 -0.077 0.000 1.036 277 T CA 0.962 63.055 62.100 -0.011 0.000 1.148 277 T CB -0.342 68.551 68.868 0.042 0.000 0.863 277 T HN 0.168 nan 8.240 nan 0.000 0.436 278 L N 0.892 122.024 121.223 -0.152 0.000 2.551 278 L HA 0.095 4.435 4.340 -0.000 0.000 0.228 278 L C 2.786 179.578 176.870 -0.131 0.000 1.153 278 L CA 0.389 55.106 54.840 -0.204 0.000 0.851 278 L CB -0.727 41.157 42.059 -0.293 0.000 0.959 278 L HN 0.335 nan 8.230 nan 0.000 0.451 279 G N 0.324 109.065 108.800 -0.098 0.000 2.462 279 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.220 279 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.220 279 G C 1.686 176.532 174.900 -0.091 0.000 1.121 279 G CA 1.318 46.368 45.100 -0.084 0.000 0.758 279 G HN 0.471 nan 8.290 nan 0.000 0.559 280 T N -0.738 113.751 114.554 -0.108 0.000 2.881 280 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 280 T C 2.214 176.940 174.700 0.044 0.000 1.068 280 T CA 1.157 63.190 62.100 -0.111 0.000 1.131 280 T CB -0.370 68.460 68.868 -0.064 0.000 0.871 280 T HN 0.039 nan 8.240 nan 0.000 0.479 281 V N 1.834 121.763 119.914 0.025 0.000 2.469 281 V HA -0.200 3.920 4.120 -0.000 0.000 0.251 281 V C 2.714 178.876 176.094 0.113 0.000 1.064 281 V CA 2.006 64.359 62.300 0.088 0.000 1.066 281 V CB -0.740 31.020 31.823 -0.106 0.000 0.667 281 V HN 0.607 nan 8.190 nan 0.000 0.461 282 E N -0.048 120.176 120.200 0.040 0.000 2.051 282 E HA -0.270 4.080 4.350 -0.000 0.000 0.192 282 E C 2.249 178.882 176.600 0.056 0.000 0.991 282 E CA 1.421 57.842 56.400 0.036 0.000 0.799 282 E CB -0.153 29.548 29.700 0.002 0.000 0.748 282 E HN 0.372 nan 8.360 nan 0.000 0.449 283 K N 1.228 121.662 120.400 0.055 0.000 2.103 283 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 283 K C 1.895 178.574 176.600 0.132 0.000 1.052 283 K CA 0.917 57.254 56.287 0.083 0.000 0.945 283 K CB -0.258 32.285 32.500 0.073 0.000 0.722 283 K HN 0.057 nan 8.250 nan 0.000 0.443 284 L N 0.176 121.511 121.223 0.188 0.000 2.083 284 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 284 L C 2.181 179.109 176.870 0.096 0.000 1.083 284 L CA 1.438 56.385 54.840 0.179 0.000 0.752 284 L CB -0.411 41.822 42.059 0.290 0.000 0.899 284 L HN 0.132 nan 8.230 nan 0.000 0.433 285 S N -0.690 115.083 115.700 0.122 0.000 2.387 285 S HA -0.105 4.365 4.470 -0.000 0.000 0.226 285 S C 1.986 176.606 174.600 0.033 0.000 1.026 285 S CA 0.990 59.233 58.200 0.072 0.000 0.972 285 S CB -0.087 63.174 63.200 0.102 0.000 0.814 285 S HN 0.169 nan 8.310 nan 0.000 0.477 286 V N 2.042 121.981 119.914 0.042 0.000 2.453 286 V HA -0.068 4.052 4.120 -0.000 0.000 0.247 286 V C 2.460 178.568 176.094 0.023 0.000 1.048 286 V CA 1.236 63.553 62.300 0.029 0.000 1.049 286 V CB -0.520 31.322 31.823 0.032 0.000 0.672 286 V HN 0.362 nan 8.190 nan 0.000 0.457 287 E N 0.269 120.488 120.200 0.031 0.000 2.110 287 E HA -0.206 4.143 4.350 -0.000 0.000 0.193 287 E C 2.360 178.953 176.600 -0.011 0.000 0.988 287 E CA 0.826 57.237 56.400 0.019 0.000 0.804 287 E CB -0.324 29.396 29.700 0.033 0.000 0.745 287 E HN 0.418 nan 8.360 nan 0.000 0.458 288 R N 1.064 121.544 120.500 -0.033 0.000 2.083 288 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 288 R C 2.259 178.532 176.300 -0.044 0.000 1.137 288 R CA 1.180 57.237 56.100 -0.071 0.000 0.951 288 R CB -0.407 29.823 30.300 -0.117 0.000 0.851 288 R HN 0.044 nan 8.270 nan 0.000 0.434 289 V N 1.136 121.037 119.914 -0.022 0.000 2.343 289 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 289 V C 2.708 178.802 176.094 0.000 0.000 1.051 289 V CA 2.139 64.434 62.300 -0.008 0.000 1.036 289 V CB -0.638 31.186 31.823 0.001 0.000 0.654 289 V HN 0.402 nan 8.190 nan 0.000 0.451 290 R N -0.297 120.205 120.500 0.005 0.000 2.081 290 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 290 R C 2.222 178.532 176.300 0.016 0.000 1.131 290 R CA 1.696 57.804 56.100 0.013 0.000 0.960 290 R CB -0.303 30.009 30.300 0.018 0.000 0.856 290 R HN 0.382 nan 8.270 nan 0.000 0.436 291 V N 0.967 120.886 119.914 0.009 0.000 2.295 291 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 291 V C 2.471 178.569 176.094 0.007 0.000 1.049 291 V CA 1.952 64.264 62.300 0.022 0.000 1.024 291 V CB -0.726 31.093 31.823 -0.007 0.000 0.648 291 V HN 0.560 nan 8.190 nan 0.000 0.447 292 A N -0.069 122.744 122.820 -0.011 0.000 1.908 292 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 292 A C 2.412 180.008 177.584 0.020 0.000 1.181 292 A CA 2.234 54.270 52.037 -0.002 0.000 0.627 292 A CB -0.796 18.204 19.000 0.000 0.000 0.818 292 A HN 0.583 nan 8.150 nan 0.000 0.445 293 A N -0.382 122.450 122.820 0.020 0.000 1.902 293 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 293 A C 2.193 179.796 177.584 0.032 0.000 1.181 293 A CA 2.115 54.168 52.037 0.027 0.000 0.623 293 A CB -0.434 18.578 19.000 0.021 0.000 0.818 293 A HN 0.445 nan 8.150 nan 0.000 0.443 294 R N 0.171 120.688 120.500 0.028 0.000 2.073 294 R HA -0.005 4.335 4.340 -0.000 0.000 0.234 294 R C 1.911 178.242 176.300 0.052 0.000 1.134 294 R CA 1.650 57.769 56.100 0.031 0.000 0.952 294 R CB -1.031 29.282 30.300 0.023 0.000 0.850 294 R HN 0.516 nan 8.270 nan 0.000 0.433 295 L N 0.280 121.527 121.223 0.040 0.000 2.013 295 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 295 L C 2.389 179.376 176.870 0.194 0.000 1.073 295 L CA 1.999 56.894 54.840 0.093 0.000 0.753 295 L CB -0.526 41.478 42.059 -0.092 0.000 0.890 295 L HN 0.350 nan 8.230 nan 0.000 0.432 296 E N -0.320 119.949 120.200 0.114 0.000 2.077 296 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 296 E C 2.101 178.742 176.600 0.069 0.000 0.989 296 E CA 1.226 57.687 56.400 0.100 0.000 0.800 296 E CB -0.057 29.686 29.700 0.072 0.000 0.746 296 E HN 0.465 nan 8.360 nan 0.000 0.452 297 E N 0.550 120.782 120.200 0.054 0.000 2.085 297 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 297 E C 1.936 178.548 176.600 0.021 0.000 0.994 297 E CA 0.671 57.090 56.400 0.031 0.000 0.801 297 E CB 0.119 29.835 29.700 0.025 0.000 0.743 297 E HN 0.083 nan 8.360 nan 0.000 0.453 298 L N -0.418 120.832 121.223 0.045 0.000 2.191 298 L HA -0.007 4.333 4.340 -0.000 0.000 0.212 298 L C 1.880 178.699 176.870 -0.083 0.000 1.103 298 L CA 2.072 56.921 54.840 0.014 0.000 0.769 298 L CB -0.339 41.788 42.059 0.115 0.000 0.908 298 L HN 0.489 nan 8.230 nan 0.000 0.438 299 G N -3.861 104.903 108.800 -0.060 0.000 2.227 299 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.168 299 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.168 299 G C 0.033 174.833 174.900 -0.165 0.000 1.006 299 G CA -0.385 44.638 45.100 -0.129 0.000 0.684 299 G HN 0.191 nan 8.290 nan 0.000 0.489 300 Y N 1.101 121.397 120.300 -0.006 0.000 2.314 300 Y HA 0.545 5.095 4.550 -0.000 0.000 0.334 300 Y C 1.009 176.919 175.900 0.017 0.000 1.266 300 Y CA 0.336 58.437 58.100 0.000 0.000 1.391 300 Y CB 1.034 39.547 38.460 0.090 0.000 1.306 300 Y HN 0.376 nan 8.280 nan 0.000 0.558 301 A N 2.488 125.417 122.820 0.181 0.000 2.302 301 A HA 0.582 4.902 4.320 -0.000 0.000 0.295 301 A C -1.002 176.709 177.584 0.211 0.000 1.235 301 A CA -0.491 51.636 52.037 0.150 0.000 0.876 301 A CB -0.340 18.720 19.000 0.100 0.000 1.133 301 A HN 0.502 nan 8.150 nan 0.000 0.533 302 V N 4.001 124.036 119.914 0.203 0.000 2.495 302 V HA 0.284 4.404 4.120 -0.000 0.000 0.298 302 V C 0.068 176.286 176.094 0.207 0.000 1.031 302 V CA -0.684 61.744 62.300 0.213 0.000 0.871 302 V CB 1.654 33.571 31.823 0.156 0.000 0.988 302 V HN 0.609 nan 8.190 nan 0.000 0.432 303 V N 6.995 127.058 119.914 0.248 0.000 2.488 303 V HA 0.234 4.354 4.120 -0.000 0.000 0.277 303 V C -2.010 174.176 176.094 0.154 0.000 1.046 303 V CA -1.495 60.947 62.300 0.237 0.000 0.986 303 V CB 1.090 33.091 31.823 0.296 0.000 0.989 303 V HN 0.778 nan 8.190 nan 0.000 0.475 304 P HA 0.117 nan 4.420 nan 0.000 0.264 304 P C -0.432 176.884 177.300 0.027 0.000 1.193 304 P CA 0.452 63.589 63.100 0.062 0.000 0.763 304 P CB 0.574 32.308 31.700 0.057 0.000 0.810 305 S N 1.893 117.577 115.700 -0.026 0.000 2.542 305 S HA 0.369 4.839 4.470 -0.000 0.000 0.293 305 S C -0.272 174.248 174.600 -0.133 0.000 1.089 305 S CA -0.629 57.502 58.200 -0.115 0.000 0.961 305 S CB 1.053 64.132 63.200 -0.202 0.000 1.062 305 S HN 0.365 nan 8.310 nan 0.000 0.483 306 E N 1.923 122.027 120.200 -0.161 0.000 2.989 306 E HA 0.255 4.605 4.350 -0.000 0.000 0.207 306 E C -0.276 176.230 176.600 -0.156 0.000 0.989 306 E CA -0.322 56.013 56.400 -0.108 0.000 1.186 306 E CB 0.808 30.492 29.700 -0.028 0.000 1.141 306 E HN 0.641 nan 8.360 nan 0.000 0.454 307 S N 0.164 115.610 115.700 -0.423 0.000 2.921 307 S HA 0.273 4.742 4.470 -0.000 0.000 0.315 307 S C 0.330 174.388 174.600 -0.905 0.000 1.087 307 S CA -0.880 56.912 58.200 -0.680 0.000 0.877 307 S CB 0.565 62.926 63.200 -1.398 0.000 1.340 307 S HN 0.168 nan 8.310 nan 0.000 0.622 308 N N 0.409 118.363 118.700 -1.243 0.000 2.376 308 N HA 0.273 5.012 4.740 -0.000 0.000 0.249 308 N C -0.617 174.621 175.510 -0.454 0.000 1.140 308 N CA -0.506 51.975 53.050 -0.948 0.000 0.870 308 N CB -0.777 36.955 38.487 -1.259 0.000 1.124 308 N HN 0.655 nan 8.380 nan 0.000 0.505 309 F N -2.885 116.836 119.950 -0.381 0.000 2.686 309 F HA 0.759 5.286 4.527 -0.000 0.000 0.311 309 F C -1.327 174.366 175.800 -0.179 0.000 1.128 309 F CA -1.484 56.352 58.000 -0.273 0.000 0.946 309 F CB 1.002 39.839 39.000 -0.273 0.000 1.336 309 F HN -0.251 nan 8.300 nan 0.000 0.457 310 V N 2.072 122.068 119.914 0.136 0.000 2.531 310 V HA 0.393 4.513 4.120 -0.000 0.000 0.301 310 V C -1.368 174.950 176.094 0.374 0.000 1.034 310 V CA -0.605 61.789 62.300 0.157 0.000 0.865 310 V CB 1.777 33.608 31.823 0.015 0.000 0.995 310 V HN 0.732 nan 8.190 nan 0.000 0.424 311 F N 7.646 127.717 119.950 0.202 0.000 2.405 311 F HA 0.799 5.326 4.527 -0.000 0.000 0.355 311 F C -0.538 175.436 175.800 0.290 0.000 1.121 311 F CA -1.102 56.998 58.000 0.165 0.000 1.112 311 F CB 0.780 39.772 39.000 -0.013 0.000 1.126 311 F HN 0.476 nan 8.300 nan 0.000 0.481 312 F N 3.168 122.981 119.950 -0.227 0.000 2.643 312 F HA 0.988 5.515 4.527 -0.000 0.000 0.314 312 F C -0.505 175.135 175.800 -0.266 0.000 1.096 312 F CA -0.992 56.923 58.000 -0.141 0.000 0.953 312 F CB 1.276 40.222 39.000 -0.089 0.000 1.345 312 F HN 0.678 nan 8.300 nan 0.000 0.468 313 G N -0.064 108.562 108.800 -0.289 0.000 2.650 313 G HA2 0.468 4.428 3.960 -0.000 0.000 0.310 313 G HA3 0.468 4.428 3.960 -0.000 0.000 0.310 313 G C -2.377 172.264 174.900 -0.432 0.000 1.270 313 G CA -0.900 43.768 45.100 -0.719 0.000 0.810 313 G HN 0.619 nan 8.290 nan 0.000 0.493 314 D N 0.551 120.641 120.400 -0.516 0.000 2.462 314 D HA 0.497 5.137 4.640 -0.000 0.000 0.245 314 D C -0.929 175.113 176.300 -0.431 0.000 1.122 314 D CA -0.042 53.639 54.000 -0.532 0.000 0.864 314 D CB 1.457 42.095 40.800 -0.270 0.000 1.098 314 D HN 0.072 nan 8.370 nan 0.000 0.541 315 F N 0.791 120.677 119.950 -0.107 0.000 2.375 315 F HA 0.116 4.643 4.527 -0.000 0.000 0.333 315 F C 2.204 177.995 175.800 -0.015 0.000 1.104 315 F CA -0.671 57.314 58.000 -0.025 0.000 1.149 315 F CB 1.138 40.137 39.000 -0.002 0.000 1.190 315 F HN 0.185 nan 8.300 nan 0.000 0.533 316 S N -0.769 115.046 115.700 0.192 0.000 2.383 316 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 316 S C 0.274 174.950 174.600 0.126 0.000 1.026 316 S CA 1.065 59.337 58.200 0.121 0.000 0.981 316 S CB -0.155 63.097 63.200 0.086 0.000 0.818 316 S HN 0.656 nan 8.310 nan 0.000 0.472 317 D N 0.543 121.031 120.400 0.147 0.000 2.358 317 D HA 0.361 5.001 4.640 -0.000 0.000 0.253 317 D C 0.400 176.752 176.300 0.086 0.000 1.288 317 D CA -0.509 53.556 54.000 0.108 0.000 0.950 317 D CB 1.493 42.342 40.800 0.082 0.000 1.197 317 D HN 0.082 nan 8.370 nan 0.000 0.550 318 Q N 1.244 121.103 119.800 0.097 0.000 2.167 318 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 318 Q C 1.694 177.683 176.000 -0.017 0.000 0.970 318 Q CA 1.232 57.033 55.803 -0.003 0.000 0.855 318 Q CB -0.398 28.379 28.738 0.064 0.000 0.911 318 Q HN 0.616 nan 8.270 nan 0.000 0.438 319 H N 0.271 119.326 119.070 -0.025 0.000 2.389 319 H HA 0.089 4.645 4.556 -0.000 0.000 0.299 319 H C 1.793 177.183 175.328 0.104 0.000 1.081 319 H CA 1.274 57.331 56.048 0.015 0.000 1.345 319 H CB 0.210 29.941 29.762 -0.051 0.000 1.393 319 H HN 0.360 nan 8.280 nan 0.000 0.520 320 A N 1.117 123.986 122.820 0.082 0.000 1.883 320 A HA -0.143 4.176 4.320 -0.000 0.000 0.217 320 A C 2.694 180.234 177.584 -0.074 0.000 1.186 320 A CA 1.824 53.873 52.037 0.020 0.000 0.624 320 A CB -1.045 17.971 19.000 0.026 0.000 0.822 320 A HN 0.528 nan 8.150 nan 0.000 0.444 321 A N -1.669 121.030 122.820 -0.202 0.000 1.902 321 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 321 A C 1.998 179.538 177.584 -0.074 0.000 1.181 321 A CA 1.589 53.401 52.037 -0.376 0.000 0.623 321 A CB -0.947 17.249 19.000 -1.339 0.000 0.818 321 A HN 0.885 nan 8.150 nan 0.000 0.443 322 W N 0.570 121.736 121.300 -0.224 0.000 2.338 322 W HA -0.248 4.411 4.660 -0.000 0.000 0.304 322 W C 2.233 178.686 176.519 -0.110 0.000 1.212 322 W CA 2.232 59.499 57.345 -0.130 0.000 1.264 322 W CB -0.177 29.117 29.460 -0.277 0.000 1.142 322 W HN 0.407 nan 8.180 nan 0.000 0.512 323 Q N 0.674 120.442 119.800 -0.052 0.000 2.119 323 Q HA -0.070 4.270 4.340 -0.000 0.000 0.201 323 Q C 2.212 178.088 176.000 -0.206 0.000 0.972 323 Q CA 2.359 58.042 55.803 -0.200 0.000 0.847 323 Q CB -0.796 27.926 28.738 -0.026 0.000 0.903 323 Q HN 0.272 nan 8.270 nan 0.000 0.433 324 A N -0.625 122.100 122.820 -0.158 0.000 1.933 324 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 324 A C 1.824 179.258 177.584 -0.251 0.000 1.175 324 A CA 1.330 53.246 52.037 -0.201 0.000 0.628 324 A CB -0.863 17.998 19.000 -0.231 0.000 0.814 324 A HN 0.466 nan 8.150 nan 0.000 0.444 325 F N -0.912 118.908 119.950 -0.218 0.000 2.146 325 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 325 F C 2.057 177.699 175.800 -0.263 0.000 1.096 325 F CA 1.456 59.339 58.000 -0.195 0.000 1.275 325 F CB -0.433 38.478 39.000 -0.147 0.000 1.008 325 F HN 0.244 nan 8.300 nan 0.000 0.480 326 L N 0.233 121.302 121.223 -0.255 0.000 2.083 326 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 326 L C 1.745 178.487 176.870 -0.213 0.000 1.083 326 L CA 1.837 56.462 54.840 -0.360 0.000 0.752 326 L CB -0.893 40.744 42.059 -0.704 0.000 0.899 326 L HN -0.030 nan 8.230 nan 0.000 0.433 327 D N -0.421 119.867 120.400 -0.186 0.000 2.263 327 D HA -0.136 4.504 4.640 -0.000 0.000 0.208 327 D C 1.917 178.156 176.300 -0.102 0.000 0.971 327 D CA 0.958 54.882 54.000 -0.127 0.000 0.867 327 D CB -0.039 40.692 40.800 -0.116 0.000 0.929 327 D HN 0.365 nan 8.370 nan 0.000 0.492 328 R N -0.780 119.659 120.500 -0.102 0.000 2.334 328 R HA 0.270 4.609 4.340 -0.000 0.000 0.220 328 R C 1.115 177.390 176.300 -0.042 0.000 0.917 328 R CA 0.454 56.510 56.100 -0.073 0.000 1.073 328 R CB 0.543 30.789 30.300 -0.091 0.000 1.056 328 R HN 0.103 nan 8.270 nan 0.000 0.506 329 G N 0.272 109.039 108.800 -0.054 0.000 2.141 329 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.242 329 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.242 329 G C -0.107 174.780 174.900 -0.023 0.000 0.982 329 G CA -0.114 44.961 45.100 -0.041 0.000 0.662 329 G HN 0.139 nan 8.290 nan 0.000 0.527 330 V N 1.002 120.912 119.914 -0.006 0.000 2.350 330 V HA 0.648 4.768 4.120 -0.000 0.000 0.285 330 V C -0.015 176.043 176.094 -0.061 0.000 1.014 330 V CA -0.838 61.485 62.300 0.039 0.000 0.831 330 V CB 1.619 33.573 31.823 0.219 0.000 1.000 330 V HN 0.392 nan 8.190 nan 0.000 0.433 331 L N 8.089 129.258 121.223 -0.091 0.000 2.264 331 L HA 0.647 4.987 4.340 -0.000 0.000 0.287 331 L C -0.131 176.695 176.870 -0.073 0.000 1.039 331 L CA 0.310 55.066 54.840 -0.139 0.000 0.829 331 L CB 0.441 42.459 42.059 -0.068 0.000 1.211 331 L HN 0.687 nan 8.230 nan 0.000 0.427 332 I N 1.236 121.757 120.570 -0.082 0.000 3.573 332 I HA 0.692 4.862 4.170 -0.000 0.000 0.285 332 I C -0.443 175.810 176.117 0.226 0.000 1.203 332 I CA -1.358 59.934 61.300 -0.013 0.000 1.033 332 I CB 1.343 39.256 38.000 -0.145 0.000 1.348 332 I HN 0.527 nan 8.210 nan 0.000 0.525 333 R N 1.412 121.998 120.500 0.145 0.000 2.343 333 R HA 0.277 4.617 4.340 -0.000 0.000 0.320 333 R C -1.254 175.071 176.300 0.043 0.000 0.956 333 R CA -0.367 55.795 56.100 0.104 0.000 0.836 333 R CB 0.753 31.049 30.300 -0.007 0.000 1.151 333 R HN 0.669 nan 8.270 nan 0.000 0.450 334 D N 4.284 124.599 120.400 -0.141 0.000 2.365 334 D HA 0.041 4.681 4.640 -0.000 0.000 0.237 334 D C 0.540 176.750 176.300 -0.151 0.000 1.190 334 D CA -0.297 53.573 54.000 -0.217 0.000 0.867 334 D CB 1.256 41.754 40.800 -0.503 0.000 1.050 334 D HN 0.392 nan 8.370 nan 0.000 0.491 335 V N 1.729 121.616 119.914 -0.044 0.000 3.499 335 V HA 0.385 4.505 4.120 -0.000 0.000 0.308 335 V C 1.346 177.437 176.094 -0.005 0.000 1.319 335 V CA 0.141 62.429 62.300 -0.020 0.000 1.194 335 V CB -0.410 31.428 31.823 0.025 0.000 1.072 335 V HN 0.679 nan 8.190 nan 0.000 0.426 336 G N 1.031 109.816 108.800 -0.024 0.000 2.160 336 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.251 336 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.251 336 G C -0.206 174.724 174.900 0.051 0.000 1.008 336 G CA 0.390 45.483 45.100 -0.012 0.000 0.724 336 G HN 0.503 nan 8.290 nan 0.000 0.514 337 I N 0.980 121.615 120.570 0.108 0.000 2.362 337 I HA 0.627 4.797 4.170 -0.000 0.000 0.289 337 I C 1.009 177.251 176.117 0.208 0.000 0.994 337 I CA -1.252 60.158 61.300 0.183 0.000 1.158 337 I CB 0.740 38.910 38.000 0.282 0.000 1.315 337 I HN 0.390 nan 8.210 nan 0.000 0.451 338 A N 4.443 127.384 122.820 0.202 0.000 2.584 338 A HA 0.386 4.706 4.320 -0.000 0.000 0.239 338 A C 1.452 179.205 177.584 0.282 0.000 1.043 338 A CA 0.936 53.092 52.037 0.197 0.000 0.756 338 A CB -0.419 18.681 19.000 0.167 0.000 0.963 338 A HN 1.493 nan 8.150 nan 0.000 0.511 339 G N 1.609 110.518 108.800 0.182 0.000 2.220 339 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.269 339 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.269 339 G C 0.161 174.966 174.900 -0.158 0.000 0.977 339 G CA 1.248 46.387 45.100 0.065 0.000 0.634 339 G HN 1.288 nan 8.290 nan 0.000 0.539 340 H N -1.058 117.973 119.070 -0.066 0.000 2.747 340 H HA 0.837 5.393 4.556 -0.000 0.000 0.371 340 H C 0.186 175.296 175.328 -0.364 0.000 1.161 340 H CA -0.647 55.152 56.048 -0.415 0.000 1.167 340 H CB 1.692 30.859 29.762 -0.991 0.000 1.732 340 H HN 0.238 nan 8.280 nan 0.000 0.544 341 L N 0.662 121.582 121.223 -0.505 0.000 2.327 341 L HA 0.600 4.940 4.340 -0.000 0.000 0.258 341 L C -0.511 176.198 176.870 -0.268 0.000 1.024 341 L CA -0.980 53.654 54.840 -0.343 0.000 0.825 341 L CB 2.450 44.306 42.059 -0.339 0.000 1.386 341 L HN 0.372 nan 8.230 nan 0.000 0.417 342 R N 0.418 120.922 120.500 0.005 0.000 2.439 342 R HA 0.447 4.787 4.340 -0.000 0.000 0.310 342 R C -1.220 175.105 176.300 0.041 0.000 0.955 342 R CA -0.235 55.940 56.100 0.124 0.000 0.853 342 R CB 1.909 32.252 30.300 0.073 0.000 1.171 342 R HN 0.650 nan 8.270 nan 0.000 0.449 343 T N 2.397 116.970 114.554 0.032 0.000 2.794 343 T HA 0.299 4.649 4.350 -0.000 0.000 0.280 343 T C -0.290 174.292 174.700 -0.198 0.000 0.987 343 T CA -0.161 61.786 62.100 -0.255 0.000 0.993 343 T CB 1.088 69.448 68.868 -0.845 0.000 0.939 343 T HN 0.530 nan 8.240 nan 0.000 0.449 344 T N 5.973 120.415 114.554 -0.186 0.000 2.910 344 T HA 0.369 4.719 4.350 -0.000 0.000 0.293 344 T C 0.390 174.976 174.700 -0.190 0.000 1.015 344 T CA -0.626 61.407 62.100 -0.113 0.000 1.094 344 T CB 0.236 69.063 68.868 -0.069 0.000 0.968 344 T HN 0.445 nan 8.240 nan 0.000 0.521 345 I N 3.117 123.593 120.570 -0.158 0.000 2.416 345 I HA 0.332 4.502 4.170 -0.000 0.000 0.288 345 I C 1.098 177.149 176.117 -0.110 0.000 1.051 345 I CA 0.044 61.252 61.300 -0.153 0.000 1.375 345 I CB 0.238 38.152 38.000 -0.143 0.000 1.407 345 I HN 0.747 nan 8.210 nan 0.000 0.516 346 G N 5.758 114.492 108.800 -0.110 0.000 2.890 346 G HA2 0.611 4.571 3.960 -0.000 0.000 0.189 346 G HA3 0.611 4.571 3.960 -0.000 0.000 0.189 346 G C -0.103 174.714 174.900 -0.138 0.000 1.342 346 G CA -0.401 44.624 45.100 -0.124 0.000 1.026 346 G HN 0.506 nan 8.290 nan 0.000 0.579 347 V N -1.577 118.221 119.914 -0.194 0.000 3.003 347 V HA 0.329 4.449 4.120 -0.000 0.000 0.305 347 V C -1.492 174.579 176.094 -0.038 0.000 1.078 347 V CA -1.030 61.175 62.300 -0.157 0.000 1.083 347 V CB 1.254 32.957 31.823 -0.199 0.000 1.039 347 V HN 0.432 nan 8.190 nan 0.000 0.481 348 P HA -0.176 nan 4.420 nan 0.000 0.216 348 P C 1.670 178.984 177.300 0.023 0.000 1.153 348 P CA 1.962 65.081 63.100 0.031 0.000 0.858 348 P CB 0.167 31.896 31.700 0.048 0.000 0.789 349 E N -0.113 120.096 120.200 0.016 0.000 2.085 349 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 349 E C 1.794 178.404 176.600 0.017 0.000 0.994 349 E CA 1.313 57.722 56.400 0.015 0.000 0.801 349 E CB -0.208 29.497 29.700 0.008 0.000 0.743 349 E HN 0.320 nan 8.360 nan 0.000 0.453 350 E N -0.118 120.083 120.200 0.002 0.000 2.072 350 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 350 E C 1.973 178.604 176.600 0.053 0.000 0.982 350 E CA 0.808 57.214 56.400 0.010 0.000 0.803 350 E CB -0.003 29.679 29.700 -0.030 0.000 0.755 350 E HN 0.258 nan 8.360 nan 0.000 0.453 351 N N 1.248 119.974 118.700 0.042 0.000 2.188 351 N HA -0.131 4.608 4.740 -0.000 0.000 0.184 351 N C 1.234 176.828 175.510 0.140 0.000 1.018 351 N CA 1.029 54.134 53.050 0.093 0.000 0.858 351 N CB -0.183 38.331 38.487 0.045 0.000 0.989 351 N HN 0.161 nan 8.380 nan 0.000 0.426 352 D N 0.893 121.340 120.400 0.079 0.000 2.144 352 D HA -0.003 4.637 4.640 -0.000 0.000 0.200 352 D C 1.833 178.166 176.300 0.055 0.000 0.978 352 D CA 0.754 54.788 54.000 0.057 0.000 0.833 352 D CB -0.189 40.631 40.800 0.034 0.000 0.961 352 D HN 0.196 nan 8.370 nan 0.000 0.470 353 A N 0.681 123.543 122.820 0.070 0.000 1.877 353 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 353 A C 2.094 179.742 177.584 0.107 0.000 1.186 353 A CA 1.048 53.126 52.037 0.067 0.000 0.620 353 A CB -1.020 18.017 19.000 0.062 0.000 0.822 353 A HN 0.263 nan 8.150 nan 0.000 0.443 354 F N 0.686 120.652 119.950 0.027 0.000 2.095 354 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 354 F C 1.824 177.685 175.800 0.102 0.000 1.104 354 F CA 1.586 59.624 58.000 0.063 0.000 1.232 354 F CB -0.165 38.810 39.000 -0.042 0.000 0.987 354 F HN 0.099 nan 8.300 nan 0.000 0.475 355 L N 0.279 121.409 121.223 -0.155 0.000 2.093 355 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 355 L C 2.124 178.895 176.870 -0.166 0.000 1.085 355 L CA 1.585 56.276 54.840 -0.250 0.000 0.755 355 L CB -1.660 40.370 42.059 -0.047 0.000 0.904 355 L HN 0.163 nan 8.230 nan 0.000 0.435 356 D N 0.366 120.714 120.400 -0.087 0.000 2.104 356 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 356 D C 2.237 178.474 176.300 -0.104 0.000 0.994 356 D CA 1.641 55.600 54.000 -0.069 0.000 0.830 356 D CB 0.094 40.871 40.800 -0.037 0.000 0.959 356 D HN 0.259 nan 8.370 nan 0.000 0.452 357 A N 0.940 123.688 122.820 -0.119 0.000 1.902 357 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 357 A C 2.314 179.706 177.584 -0.320 0.000 1.181 357 A CA 2.238 54.159 52.037 -0.194 0.000 0.623 357 A CB -0.751 18.190 19.000 -0.097 0.000 0.818 357 A HN 0.236 nan 8.150 nan 0.000 0.443 358 A N -0.146 122.515 122.820 -0.264 0.000 1.933 358 A HA 0.149 4.469 4.320 -0.000 0.000 0.218 358 A C 2.459 180.075 177.584 0.054 0.000 1.175 358 A CA 2.036 53.995 52.037 -0.129 0.000 0.628 358 A CB -0.905 17.864 19.000 -0.386 0.000 0.814 358 A HN 1.038 nan 8.150 nan 0.000 0.444 359 A N -0.241 122.561 122.820 -0.030 0.000 1.930 359 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 359 A C 1.942 179.501 177.584 -0.041 0.000 1.175 359 A CA 1.571 53.602 52.037 -0.010 0.000 0.627 359 A CB -0.445 18.535 19.000 -0.032 0.000 0.815 359 A HN 0.638 nan 8.150 nan 0.000 0.443 360 E N -0.424 119.726 120.200 -0.084 0.000 2.072 360 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 360 E C 1.868 178.409 176.600 -0.098 0.000 0.985 360 E CA 1.122 57.465 56.400 -0.095 0.000 0.801 360 E CB -0.248 29.380 29.700 -0.121 0.000 0.750 360 E HN 0.684 nan 8.360 nan 0.000 0.452 361 I N 1.055 121.542 120.570 -0.138 0.000 2.394 361 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 361 I C 2.499 178.647 176.117 0.052 0.000 1.136 361 I CA 0.633 61.864 61.300 -0.114 0.000 1.425 361 I CB -0.041 37.748 38.000 -0.353 0.000 1.079 361 I HN 0.115 nan 8.210 nan 0.000 0.425 362 I N 0.983 121.596 120.570 0.072 0.000 2.454 362 I HA -0.287 3.883 4.170 -0.000 0.000 0.254 362 I C 2.174 178.247 176.117 -0.073 0.000 1.156 362 I CA 1.528 62.788 61.300 -0.067 0.000 1.433 362 I CB -0.099 37.680 38.000 -0.370 0.000 1.082 362 I HN 0.147 nan 8.210 nan 0.000 0.432 363 K N 0.223 120.591 120.400 -0.054 0.000 2.366 363 K HA -0.016 4.304 4.320 -0.000 0.000 0.198 363 K C 1.737 178.318 176.600 -0.032 0.000 1.044 363 K CA 0.765 57.022 56.287 -0.049 0.000 0.973 363 K CB 0.046 32.516 32.500 -0.049 0.000 0.767 363 K HN 0.403 nan 8.250 nan 0.000 0.475 364 L N 0.583 121.795 121.223 -0.019 0.000 2.478 364 L HA -0.021 4.319 4.340 -0.000 0.000 0.223 364 L C 0.285 177.164 176.870 0.014 0.000 1.140 364 L CA -0.074 54.760 54.840 -0.009 0.000 0.842 364 L CB -0.740 41.307 42.059 -0.020 0.000 0.953 364 L HN 0.280 nan 8.230 nan 0.000 0.452 365 N N 0.896 119.612 118.700 0.027 0.000 2.688 365 N HA -0.202 4.538 4.740 -0.000 0.000 0.258 365 N C -0.406 175.152 175.510 0.080 0.000 1.016 365 N CA 0.391 53.465 53.050 0.040 0.000 0.747 365 N CB -1.046 37.447 38.487 0.009 0.000 0.895 365 N HN 0.258 nan 8.380 nan 0.000 0.543 366 L N 0.000 121.315 121.223 0.154 0.000 2.949 366 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 366 L CA 0.000 54.932 54.840 0.153 0.000 0.813 366 L CB 0.000 42.119 42.059 0.100 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502