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 2ckw_1_A DATA FIRST_RESID 1 DATA SEQUENCE DEFQWKGLPV VKSGLDVGGM PTGTRYHRSP AWPEEQPGET HAPAPFGSGD DATA SEQUENCE KRYTFSQTEM LVNGLKPYTE PTAGVPPQLL SRAVTHVRSY IETIIGTHRS DATA SEQUENCE PVLTYHQACE LLERTTSCGP FVQGLKGDYW DEEQQQYTGV LANHLEQAWD DATA SEQUENCE KANKGIAPRN AYKLALKDEL RPIEKNKAGK RRLLWGCDAA TTLIATAAFK DATA SEQUENCE AVATRLQVVT PMTPVAVGIN MDSVQMQVMN DSLKGGVLYC LDYSKWDSTQ DATA SEQUENCE NPAVTAASLA ILERFAEPHP IVSCAIEALS SPAEGYVNDI KFVTRGGLPS DATA SEQUENCE GMPFTSVVNS INHMIYVAAA ILQAYESHNV PYTGNVFQVE TIHTYGDDCM DATA SEQUENCE YSVCPATASI FHTVLANLTS YGLKPXXXXX XXXXKPTNTP VFLKRTFTQT DATA SEQUENCE PHGIRALLDI TSITRQFYWL KANRTSDPSS PPAFDRQARS AQLENALAYA DATA SEQUENCE SQHGPVMFDT VRQIAIKTAQ GEGLVLVNTN YDQALATYNA WFIGGT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.407 176.300 0.178 0.000 2.045 1 D CA 0.000 54.071 54.000 0.118 0.000 0.868 1 D CB 0.000 40.865 40.800 0.108 0.000 0.688 2 E N 0.408 120.671 120.200 0.106 0.000 2.404 2 E HA 0.472 4.866 4.350 0.073 0.000 0.261 2 E C -0.932 175.786 176.600 0.196 0.000 1.074 2 E CA 0.011 56.441 56.400 0.051 0.000 0.917 2 E CB 0.555 30.262 29.700 0.011 0.000 0.965 2 E HN 0.371 nan 8.360 nan 0.000 0.433 3 F N -0.576 119.415 119.950 0.070 0.000 2.741 3 F HA 0.373 4.943 4.527 0.071 0.000 0.313 3 F C -1.279 174.598 175.800 0.129 0.000 1.153 3 F CA -1.326 56.725 58.000 0.085 0.000 0.931 3 F CB 0.850 39.897 39.000 0.078 0.000 1.335 3 F HN 0.110 nan 8.300 nan 0.000 0.460 4 Q N 1.318 121.305 119.800 0.313 0.000 2.256 4 Q HA 0.225 4.609 4.340 0.073 0.000 0.254 4 Q C -1.882 174.345 176.000 0.378 0.000 0.916 4 Q CA -0.037 55.899 55.803 0.222 0.000 0.932 4 Q CB 2.198 31.036 28.738 0.166 0.000 1.207 4 Q HN 0.902 nan 8.270 nan 0.000 0.426 5 W N 4.610 125.939 121.300 0.048 0.000 2.647 5 W HA 0.249 4.950 4.660 0.068 0.000 0.328 5 W C -0.222 176.311 176.519 0.024 0.000 1.018 5 W CA -0.700 56.699 57.345 0.091 0.000 1.245 5 W CB 0.884 30.375 29.460 0.053 0.000 1.356 5 W HN 0.557 nan 8.180 nan 0.000 0.443 6 K N 4.572 124.722 120.400 -0.417 0.000 3.012 6 K HA -0.227 4.137 4.320 0.073 0.000 0.259 6 K C 0.860 177.326 176.600 -0.222 0.000 0.989 6 K CA 1.572 57.593 56.287 -0.443 0.000 0.728 6 K CB -1.845 30.180 32.500 -0.791 0.000 1.260 6 K HN 1.602 nan 8.250 nan 0.000 0.480 7 G N -0.783 107.969 108.800 -0.080 0.000 2.176 7 G HA2 -0.316 3.688 3.960 0.073 0.000 0.253 7 G HA3 -0.316 3.688 3.960 0.073 0.000 0.253 7 G C 0.074 174.983 174.900 0.014 0.000 0.979 7 G CA 0.414 45.498 45.100 -0.027 0.000 0.641 7 G HN 0.272 nan 8.290 nan 0.000 0.530 8 L N 2.038 123.291 121.223 0.049 0.000 2.325 8 L HA 0.536 4.920 4.340 0.073 0.000 0.278 8 L C -1.830 175.133 176.870 0.154 0.000 1.023 8 L CA -2.545 52.361 54.840 0.110 0.000 0.811 8 L CB 1.938 44.048 42.059 0.085 0.000 1.249 8 L HN -0.100 nan 8.230 nan 0.000 0.431 9 P HA 0.203 nan 4.420 nan 0.000 0.276 9 P C -0.938 176.416 177.300 0.091 0.000 1.230 9 P CA -0.110 63.049 63.100 0.098 0.000 0.776 9 P CB 1.874 33.638 31.700 0.107 0.000 0.888 10 V N 3.373 123.189 119.914 -0.164 0.000 3.036 10 V HA 0.272 4.436 4.120 0.073 0.000 0.288 10 V C -0.757 174.968 176.094 -0.615 0.000 1.407 10 V CA -0.701 61.387 62.300 -0.354 0.000 0.983 10 V CB 2.678 34.247 31.823 -0.423 0.000 1.128 10 V HN 0.416 nan 8.190 nan 0.000 0.439 11 V N 4.554 124.227 119.914 -0.402 0.000 2.914 11 V HA 0.680 4.844 4.120 0.073 0.000 0.314 11 V C -0.474 175.572 176.094 -0.081 0.000 1.084 11 V CA -0.890 61.282 62.300 -0.214 0.000 0.963 11 V CB 2.282 34.054 31.823 -0.085 0.000 1.025 11 V HN 0.850 nan 8.190 nan 0.000 0.432 12 K N 2.536 123.032 120.400 0.160 0.000 2.489 12 K HA 0.107 4.471 4.320 0.073 0.000 0.278 12 K C 1.230 177.841 176.600 0.019 0.000 1.000 12 K CA 0.998 57.351 56.287 0.110 0.000 1.012 12 K CB 1.035 33.617 32.500 0.138 0.000 0.903 12 K HN 0.926 nan 8.250 nan 0.000 0.485 13 S N 1.238 116.937 115.700 -0.003 0.000 2.501 13 S HA 0.060 4.574 4.470 0.073 0.000 0.220 13 S C 1.363 176.020 174.600 0.096 0.000 0.997 13 S CA 0.485 58.693 58.200 0.012 0.000 0.919 13 S CB 0.002 63.203 63.200 0.001 0.000 0.778 13 S HN 0.811 nan 8.310 nan 0.000 0.523 14 G N 0.706 109.555 108.800 0.081 0.000 2.234 14 G HA2 -0.225 3.779 3.960 0.073 0.000 0.260 14 G HA3 -0.225 3.779 3.960 0.073 0.000 0.260 14 G C -0.051 174.906 174.900 0.094 0.000 0.987 14 G CA 0.557 45.704 45.100 0.078 0.000 0.625 14 G HN 0.541 nan 8.290 nan 0.000 0.532 15 L N -0.437 120.870 121.223 0.139 0.000 2.235 15 L HA 0.804 5.188 4.340 0.073 0.000 0.260 15 L C -0.803 176.144 176.870 0.127 0.000 1.025 15 L CA -1.098 53.832 54.840 0.150 0.000 0.836 15 L CB 1.843 44.050 42.059 0.247 0.000 1.395 15 L HN 0.054 nan 8.230 nan 0.000 0.443 16 D N -0.233 120.233 120.400 0.110 0.000 2.620 16 D HA 0.280 4.964 4.640 0.073 0.000 0.252 16 D C -0.464 175.886 176.300 0.083 0.000 1.207 16 D CA -0.199 53.852 54.000 0.086 0.000 0.884 16 D CB 2.453 43.289 40.800 0.059 0.000 1.262 16 D HN 0.125 nan 8.370 nan 0.000 0.552 17 V N 2.499 122.464 119.914 0.084 0.000 3.578 17 V HA 0.411 4.575 4.120 0.073 0.000 0.290 17 V C 1.003 177.117 176.094 0.032 0.000 1.376 17 V CA 0.894 63.229 62.300 0.058 0.000 1.083 17 V CB -0.270 31.602 31.823 0.082 0.000 0.911 17 V HN 0.903 nan 8.190 nan 0.000 0.433 18 G N -0.357 108.465 108.800 0.037 0.000 2.746 18 G HA2 0.114 4.118 3.960 0.073 0.000 0.685 18 G HA3 0.114 4.118 3.960 0.073 0.000 0.685 18 G C 0.155 175.073 174.900 0.029 0.000 1.350 18 G CA -0.577 44.541 45.100 0.031 0.000 0.837 18 G HN 0.767 nan 8.290 nan 0.000 0.564 19 G N -0.806 108.015 108.800 0.035 0.000 2.588 19 G HA2 0.639 4.643 3.960 0.073 0.000 0.281 19 G HA3 0.639 4.643 3.960 0.073 0.000 0.281 19 G C 0.526 175.447 174.900 0.034 0.000 1.236 19 G CA -0.510 44.615 45.100 0.040 0.000 0.969 19 G HN 0.846 nan 8.290 nan 0.000 0.504 20 M N 0.761 120.385 119.600 0.040 0.000 2.249 20 M HA 0.232 4.756 4.480 0.073 0.000 0.351 20 M C -2.039 174.286 176.300 0.043 0.000 1.180 20 M CA -1.236 54.084 55.300 0.032 0.000 1.127 20 M CB 1.036 33.656 32.600 0.032 0.000 1.546 20 M HN 0.189 nan 8.290 nan 0.000 0.461 21 P HA -0.061 nan 4.420 nan 0.000 0.264 21 P C -0.383 176.951 177.300 0.056 0.000 1.179 21 P CA 0.233 63.356 63.100 0.038 0.000 0.763 21 P CB 0.366 32.082 31.700 0.026 0.000 0.806 22 T N 1.435 116.023 114.554 0.056 0.000 2.913 22 T HA 0.521 4.915 4.350 0.073 0.000 0.287 22 T C 0.652 175.381 174.700 0.048 0.000 1.008 22 T CA 0.756 62.905 62.100 0.082 0.000 1.067 22 T CB -0.037 68.875 68.868 0.073 0.000 0.996 22 T HN 0.755 nan 8.240 nan 0.000 0.513 23 G N 2.138 110.994 108.800 0.094 0.000 2.569 23 G HA2 -0.083 3.921 3.960 0.073 0.000 0.259 23 G HA3 -0.083 3.921 3.960 0.073 0.000 0.259 23 G C 0.053 174.695 174.900 -0.431 0.000 1.263 23 G CA 0.129 45.109 45.100 -0.200 0.000 0.928 23 G HN 1.309 nan 8.290 nan 0.000 0.572 24 T N -1.824 112.396 114.554 -0.557 0.000 2.853 24 T HA 0.641 5.035 4.350 0.073 0.000 0.311 24 T C 0.924 175.482 174.700 -0.236 0.000 1.307 24 T CA 0.089 61.962 62.100 -0.379 0.000 1.019 24 T CB 1.629 70.186 68.868 -0.518 0.000 1.264 24 T HN 0.653 nan 8.240 nan 0.000 0.497 25 R N 0.844 121.267 120.500 -0.129 0.000 2.300 25 R HA 0.153 4.537 4.340 0.073 0.000 0.199 25 R C -0.346 175.883 176.300 -0.119 0.000 0.920 25 R CA 0.232 56.258 56.100 -0.123 0.000 1.046 25 R CB 0.192 30.391 30.300 -0.168 0.000 0.984 25 R HN 0.521 nan 8.270 nan 0.000 0.493 26 Y N 0.644 120.909 120.300 -0.059 0.000 2.327 26 Y HA 0.138 4.729 4.550 0.069 0.000 0.336 26 Y C 0.091 176.004 175.900 0.022 0.000 1.035 26 Y CA -0.420 57.713 58.100 0.055 0.000 1.165 26 Y CB 0.742 39.187 38.460 -0.025 0.000 1.181 26 Y HN -0.005 nan 8.280 nan 0.000 0.494 27 H N 0.953 120.226 119.070 0.337 0.000 2.529 27 H HA 0.423 5.025 4.556 0.077 0.000 0.348 27 H C -0.340 175.259 175.328 0.452 0.000 1.152 27 H CA -1.388 54.855 56.048 0.325 0.000 1.202 27 H CB 0.980 30.836 29.762 0.156 0.000 1.562 27 H HN 0.513 nan 8.280 nan 0.000 0.515 28 R N 1.146 121.898 120.500 0.420 0.000 2.585 28 R HA 0.032 4.416 4.340 0.073 0.000 0.275 28 R C 0.082 176.418 176.300 0.060 0.000 1.018 28 R CA 0.088 56.160 56.100 -0.047 0.000 1.072 28 R CB 0.312 30.481 30.300 -0.218 0.000 0.953 28 R HN 0.676 nan 8.270 nan 0.000 0.419 29 S N 4.736 120.448 115.700 0.020 0.000 2.563 29 S HA 0.035 4.549 4.470 0.073 0.000 0.294 29 S C -1.533 173.120 174.600 0.088 0.000 1.279 29 S CA -1.190 57.076 58.200 0.111 0.000 1.069 29 S CB 0.671 64.078 63.200 0.345 0.000 0.828 29 S HN 0.585 nan 8.310 nan 0.000 0.497 30 P HA -0.019 nan 4.420 nan 0.000 0.221 30 P C 0.941 178.217 177.300 -0.040 0.000 1.145 30 P CA 1.172 64.285 63.100 0.023 0.000 0.795 30 P CB -0.012 31.711 31.700 0.038 0.000 0.775 31 A N -2.564 120.208 122.820 -0.080 0.000 2.167 31 A HA -0.028 4.336 4.320 0.073 0.000 0.214 31 A C 0.589 177.809 177.584 -0.607 0.000 1.151 31 A CA 0.369 52.187 52.037 -0.365 0.000 0.735 31 A CB -1.041 17.691 19.000 -0.447 0.000 0.802 31 A HN 0.253 nan 8.150 nan 0.000 0.467 32 W N -0.278 121.000 121.300 -0.037 0.000 1.683 32 W HA 0.319 5.022 4.660 0.071 0.000 0.295 32 W C -1.839 174.596 176.519 -0.141 0.000 0.865 32 W CA -1.461 55.832 57.345 -0.086 0.000 2.079 32 W CB 0.844 30.259 29.460 -0.075 0.000 2.263 32 W HN 0.162 nan 8.180 nan 0.000 0.427 33 P HA -0.144 nan 4.420 nan 0.000 0.223 33 P C 0.243 177.542 177.300 -0.002 0.000 1.151 33 P CA 1.558 64.661 63.100 0.004 0.000 0.787 33 P CB 0.432 32.125 31.700 -0.012 0.000 0.788 34 E N 0.606 120.816 120.200 0.017 0.000 2.227 34 E HA 0.247 4.641 4.350 0.073 0.000 0.268 34 E C -0.136 176.434 176.600 -0.050 0.000 0.990 34 E CA -0.966 55.432 56.400 -0.004 0.000 0.856 34 E CB 1.477 31.184 29.700 0.010 0.000 1.159 34 E HN 0.091 nan 8.360 nan 0.000 0.401 35 E N 1.215 121.376 120.200 -0.066 0.000 2.360 35 E HA -0.007 4.387 4.350 0.073 0.000 0.269 35 E C -0.519 175.990 176.600 -0.152 0.000 1.022 35 E CA -0.189 56.141 56.400 -0.117 0.000 0.887 35 E CB 0.642 30.310 29.700 -0.054 0.000 0.990 35 E HN 0.264 nan 8.360 nan 0.000 0.426 36 Q N 3.177 122.801 119.800 -0.295 0.000 2.241 36 Q HA 0.432 4.816 4.340 0.073 0.000 0.262 36 Q C -2.234 173.671 176.000 -0.159 0.000 1.014 36 Q CA -2.276 53.355 55.803 -0.286 0.000 0.885 36 Q CB 0.895 29.253 28.738 -0.633 0.000 1.311 36 Q HN 0.448 nan 8.270 nan 0.000 0.461 37 P HA 0.094 nan 4.420 nan 0.000 0.271 37 P C 0.565 177.857 177.300 -0.015 0.000 1.216 37 P CA 0.607 63.686 63.100 -0.034 0.000 0.771 37 P CB 0.360 32.049 31.700 -0.018 0.000 0.864 38 G N 1.697 110.500 108.800 0.004 0.000 2.189 38 G HA2 -0.284 3.720 3.960 0.073 0.000 0.267 38 G HA3 -0.284 3.720 3.960 0.073 0.000 0.267 38 G C 0.166 175.098 174.900 0.053 0.000 0.975 38 G CA -0.110 45.006 45.100 0.026 0.000 0.644 38 G HN 0.605 nan 8.290 nan 0.000 0.537 39 E N -0.246 119.985 120.200 0.051 0.000 2.502 39 E HA 0.299 4.693 4.350 0.073 0.000 0.261 39 E C 0.963 177.643 176.600 0.132 0.000 0.974 39 E CA 1.038 57.503 56.400 0.107 0.000 0.936 39 E CB 0.528 30.270 29.700 0.071 0.000 0.926 39 E HN 0.202 nan 8.360 nan 0.000 0.459 40 T N 1.466 116.143 114.554 0.205 0.000 3.029 40 T HA 0.049 4.443 4.350 0.073 0.000 0.256 40 T C -0.877 173.977 174.700 0.255 0.000 0.914 40 T CA -0.181 62.051 62.100 0.220 0.000 0.880 40 T CB 0.226 69.246 68.868 0.253 0.000 1.246 40 T HN 0.334 nan 8.240 nan 0.000 0.523 41 H N 0.430 119.541 119.070 0.068 0.000 2.569 41 H HA 0.864 5.464 4.556 0.073 0.000 0.357 41 H C -0.195 175.110 175.328 -0.038 0.000 1.153 41 H CA -0.267 55.771 56.048 -0.017 0.000 1.193 41 H CB 1.716 31.437 29.762 -0.069 0.000 1.602 41 H HN 0.340 nan 8.280 nan 0.000 0.523 42 A N 2.402 125.131 122.820 -0.151 0.000 2.567 42 A HA 0.617 4.981 4.320 0.073 0.000 0.289 42 A C -2.870 174.370 177.584 -0.573 0.000 1.177 42 A CA -1.945 49.797 52.037 -0.492 0.000 0.694 42 A CB 0.688 19.604 19.000 -0.140 0.000 1.292 42 A HN 0.509 nan 8.150 nan 0.000 0.425 43 P HA 0.311 nan 4.420 nan 0.000 0.264 43 P C 0.001 177.222 177.300 -0.132 0.000 1.193 43 P CA 0.623 63.448 63.100 -0.458 0.000 0.763 43 P CB 0.485 32.008 31.700 -0.295 0.000 0.810 44 A N 6.835 129.590 122.820 -0.109 0.000 2.547 44 A HA 0.212 4.576 4.320 0.073 0.000 0.233 44 A C -1.844 175.824 177.584 0.140 0.000 1.067 44 A CA -0.794 51.230 52.037 -0.021 0.000 0.763 44 A CB -1.236 17.739 19.000 -0.041 0.000 1.007 44 A HN 0.434 nan 8.150 nan 0.000 0.506 45 P HA 0.110 nan 4.420 nan 0.000 0.267 45 P C -0.447 176.938 177.300 0.142 0.000 1.209 45 P CA 0.409 63.588 63.100 0.131 0.000 0.763 45 P CB -0.014 31.683 31.700 -0.006 0.000 0.816 46 F N 1.318 121.339 119.950 0.118 0.000 2.791 46 F HA 0.576 5.118 4.527 0.025 0.000 0.308 46 F C 1.078 176.933 175.800 0.091 0.000 1.138 46 F CA -0.192 57.855 58.000 0.078 0.000 1.294 46 F CB -0.342 38.694 39.000 0.060 0.000 0.975 46 F HN 0.546 nan 8.300 nan 0.000 0.512 47 G N 1.914 110.646 108.800 -0.113 0.000 2.536 47 G HA2 -0.415 3.589 3.960 0.073 0.000 0.277 47 G HA3 -0.415 3.589 3.960 0.073 0.000 0.277 47 G C 1.241 176.075 174.900 -0.110 0.000 1.155 47 G CA 0.962 46.043 45.100 -0.033 0.000 0.960 47 G HN 0.895 nan 8.290 nan 0.000 0.544 48 S N 0.494 116.196 115.700 0.002 0.000 2.428 48 S HA 0.230 4.744 4.470 0.073 0.000 0.230 48 S C 2.406 177.012 174.600 0.010 0.000 1.014 48 S CA 1.680 59.883 58.200 0.005 0.000 0.957 48 S CB -0.356 62.869 63.200 0.042 0.000 0.784 48 S HN 1.993 nan 8.310 nan 0.000 0.499 49 G N 2.157 111.010 108.800 0.087 0.000 2.650 49 G HA2 0.048 4.052 3.960 0.073 0.000 0.214 49 G HA3 0.048 4.052 3.960 0.073 0.000 0.214 49 G C 0.177 175.156 174.900 0.132 0.000 1.136 49 G CA 0.430 45.649 45.100 0.199 0.000 0.789 49 G HN 0.710 nan 8.290 nan 0.000 0.536 50 D N -0.234 120.010 120.400 -0.259 0.000 2.280 50 D HA 0.233 4.917 4.640 0.073 0.000 0.236 50 D C 0.707 176.857 176.300 -0.251 0.000 1.082 50 D CA -0.832 52.895 54.000 -0.456 0.000 0.834 50 D CB 1.927 41.761 40.800 -1.610 0.000 1.100 50 D HN -0.091 nan 8.370 nan 0.000 0.486 51 K N 2.360 122.688 120.400 -0.120 0.000 2.486 51 K HA 0.031 4.395 4.320 0.073 0.000 0.194 51 K C 1.477 177.959 176.600 -0.197 0.000 1.033 51 K CA 0.640 56.860 56.287 -0.111 0.000 1.004 51 K CB 0.154 32.627 32.500 -0.045 0.000 0.798 51 K HN 0.284 nan 8.250 nan 0.000 0.495 52 R N -1.425 118.881 120.500 -0.324 0.000 2.119 52 R HA 0.093 4.477 4.340 0.073 0.000 0.222 52 R C 0.155 176.040 176.300 -0.692 0.000 1.088 52 R CA 0.996 56.736 56.100 -0.601 0.000 0.984 52 R CB 0.064 29.762 30.300 -1.003 0.000 0.884 52 R HN 0.135 nan 8.270 nan 0.000 0.447 53 Y N -3.200 117.014 120.300 -0.143 0.000 2.876 53 Y HA 0.328 4.919 4.550 0.070 0.000 0.317 53 Y C 0.627 176.330 175.900 -0.330 0.000 1.369 53 Y CA -1.179 56.787 58.100 -0.223 0.000 1.101 53 Y CB 2.051 40.478 38.460 -0.055 0.000 1.346 53 Y HN -0.335 nan 8.280 nan 0.000 0.505 54 T N 0.485 114.803 114.554 -0.393 0.000 3.604 54 T HA 0.376 4.770 4.350 0.073 0.000 0.305 54 T C -1.300 173.177 174.700 -0.372 0.000 0.978 54 T CA -0.189 61.706 62.100 -0.342 0.000 0.999 54 T CB -0.696 68.004 68.868 -0.281 0.000 1.204 54 T HN 0.318 nan 8.240 nan 0.000 0.476 55 F N 2.689 122.623 119.950 -0.026 0.000 2.375 55 F HA 0.581 5.150 4.527 0.069 0.000 0.333 55 F C 1.134 176.901 175.800 -0.055 0.000 1.104 55 F CA -0.874 57.091 58.000 -0.057 0.000 1.149 55 F CB 1.213 40.157 39.000 -0.092 0.000 1.190 55 F HN 0.172 nan 8.300 nan 0.000 0.533 56 S N 1.323 117.110 115.700 0.144 0.000 2.565 56 S HA 0.263 4.777 4.470 0.073 0.000 0.290 56 S C 0.451 175.090 174.600 0.065 0.000 1.150 56 S CA -0.852 57.393 58.200 0.075 0.000 1.058 56 S CB 1.758 64.980 63.200 0.038 0.000 1.032 56 S HN 0.774 nan 8.310 nan 0.000 0.510 57 Q N 1.041 120.877 119.800 0.060 0.000 2.061 57 Q HA -0.156 4.228 4.340 0.073 0.000 0.204 57 Q C 2.353 178.373 176.000 0.032 0.000 0.984 57 Q CA 2.138 57.971 55.803 0.050 0.000 0.846 57 Q CB -0.739 28.041 28.738 0.069 0.000 0.902 57 Q HN 1.007 nan 8.270 nan 0.000 0.421 58 T N -0.514 114.067 114.554 0.043 0.000 2.788 58 T HA -0.172 4.222 4.350 0.073 0.000 0.268 58 T C 1.569 176.244 174.700 -0.042 0.000 1.044 58 T CA 1.387 63.513 62.100 0.044 0.000 1.139 58 T CB -0.068 68.861 68.868 0.102 0.000 0.867 58 T HN 0.277 nan 8.240 nan 0.000 0.454 59 E N 0.374 120.541 120.200 -0.056 0.000 2.152 59 E HA -0.017 4.377 4.350 0.073 0.000 0.192 59 E C 2.285 178.838 176.600 -0.079 0.000 0.983 59 E CA 1.094 57.442 56.400 -0.087 0.000 0.818 59 E CB -0.249 29.421 29.700 -0.051 0.000 0.758 59 E HN 0.574 nan 8.360 nan 0.000 0.467 60 M N 0.691 120.254 119.600 -0.062 0.000 2.159 60 M HA -0.158 4.366 4.480 0.073 0.000 0.263 60 M C 2.381 178.632 176.300 -0.081 0.000 1.063 60 M CA 1.103 56.347 55.300 -0.094 0.000 1.110 60 M CB -0.098 32.444 32.600 -0.096 0.000 1.374 60 M HN 0.162 nan 8.290 nan 0.000 0.411 61 L N -0.259 120.928 121.223 -0.061 0.000 1.976 61 L HA -0.207 4.177 4.340 0.073 0.000 0.209 61 L C 2.341 179.157 176.870 -0.089 0.000 1.071 61 L CA 1.496 56.295 54.840 -0.069 0.000 0.746 61 L CB -0.355 41.691 42.059 -0.022 0.000 0.890 61 L HN 0.099 nan 8.230 nan 0.000 0.432 62 V N 0.720 120.578 119.914 -0.095 0.000 2.324 62 V HA -0.346 3.818 4.120 0.073 0.000 0.250 62 V C 2.318 178.341 176.094 -0.119 0.000 1.060 62 V CA 2.039 64.255 62.300 -0.140 0.000 1.042 62 V CB -0.854 30.832 31.823 -0.228 0.000 0.650 62 V HN 0.537 nan 8.190 nan 0.000 0.450 63 N N 0.820 119.461 118.700 -0.099 0.000 2.104 63 N HA -0.132 4.652 4.740 0.073 0.000 0.190 63 N C 1.857 177.343 175.510 -0.041 0.000 1.024 63 N CA 1.790 54.794 53.050 -0.077 0.000 0.853 63 N CB -0.741 37.691 38.487 -0.093 0.000 1.008 63 N HN 0.540 nan 8.380 nan 0.000 0.424 64 G N 0.375 109.156 108.800 -0.031 0.000 2.448 64 G HA2 -0.049 3.955 3.960 0.073 0.000 0.218 64 G HA3 -0.049 3.955 3.960 0.073 0.000 0.218 64 G C 1.575 176.561 174.900 0.144 0.000 1.135 64 G CA 0.074 45.202 45.100 0.046 0.000 0.784 64 G HN 0.218 nan 8.290 nan 0.000 0.543 65 L N -0.685 120.549 121.223 0.018 0.000 2.270 65 L HA 0.129 4.513 4.340 0.073 0.000 0.210 65 L C 2.756 179.659 176.870 0.054 0.000 1.104 65 L CA 0.381 55.209 54.840 -0.021 0.000 0.804 65 L CB -0.157 41.619 42.059 -0.473 0.000 0.937 65 L HN 0.101 nan 8.230 nan 0.000 0.450 66 K N 0.696 121.100 120.400 0.006 0.000 2.034 66 K HA -0.201 4.163 4.320 0.073 0.000 0.214 66 K C -0.563 176.086 176.600 0.082 0.000 1.051 66 K CA 1.988 58.291 56.287 0.026 0.000 0.931 66 K CB -1.160 31.335 32.500 -0.008 0.000 0.715 66 K HN 0.195 nan 8.250 nan 0.000 0.446 67 P HA -0.147 nan 4.420 nan 0.000 0.219 67 P C 0.342 177.607 177.300 -0.059 0.000 1.146 67 P CA 1.181 64.256 63.100 -0.043 0.000 0.808 67 P CB -0.012 31.602 31.700 -0.143 0.000 0.779 68 Y N -1.737 118.669 120.300 0.177 0.000 2.632 68 Y HA -0.020 4.574 4.550 0.073 0.000 0.301 68 Y C 2.269 178.356 175.900 0.311 0.000 1.172 68 Y CA 0.969 59.234 58.100 0.275 0.000 1.328 68 Y CB -0.818 37.932 38.460 0.483 0.000 1.016 68 Y HN -0.044 nan 8.280 nan 0.000 0.529 69 T N -1.022 113.740 114.554 0.348 0.000 3.037 69 T HA 0.057 4.451 4.350 0.073 0.000 0.252 69 T C 0.375 175.163 174.700 0.147 0.000 1.073 69 T CA 0.403 62.683 62.100 0.301 0.000 1.091 69 T CB 0.123 69.142 68.868 0.252 0.000 0.935 69 T HN 0.003 nan 8.240 nan 0.000 0.488 70 E N 2.556 122.812 120.200 0.093 0.000 2.145 70 E HA 0.375 4.769 4.350 0.073 0.000 0.270 70 E C -2.567 174.040 176.600 0.011 0.000 0.906 70 E CA -2.302 54.122 56.400 0.039 0.000 0.761 70 E CB 1.843 31.553 29.700 0.018 0.000 1.116 70 E HN 0.227 nan 8.360 nan 0.000 0.408 71 P HA 0.163 nan 4.420 nan 0.000 0.274 71 P C -0.330 176.959 177.300 -0.019 0.000 1.256 71 P CA -0.367 62.729 63.100 -0.007 0.000 0.795 71 P CB 0.699 32.398 31.700 -0.001 0.000 1.038 72 T N -0.577 113.962 114.554 -0.024 0.000 2.863 72 T HA 0.495 4.889 4.350 0.073 0.000 0.285 72 T C 1.191 175.891 174.700 -0.000 0.000 1.009 72 T CA -0.074 62.012 62.100 -0.024 0.000 0.989 72 T CB 0.909 69.746 68.868 -0.051 0.000 1.004 72 T HN 0.329 nan 8.240 nan 0.000 0.455 73 A N 3.275 126.106 122.820 0.019 0.000 1.892 73 A HA 0.347 4.711 4.320 0.073 0.000 0.218 73 A C 1.584 179.193 177.584 0.042 0.000 1.188 73 A CA 1.916 53.976 52.037 0.038 0.000 0.631 73 A CB -1.607 17.434 19.000 0.068 0.000 0.822 73 A HN 1.918 nan 8.150 nan 0.000 0.447 74 G N -2.625 106.223 108.800 0.079 0.000 2.645 74 G HA2 -0.082 3.922 3.960 0.073 0.000 0.239 74 G HA3 -0.082 3.922 3.960 0.073 0.000 0.239 74 G C -0.210 174.651 174.900 -0.066 0.000 1.331 74 G CA -0.202 44.922 45.100 0.039 0.000 0.890 74 G HN 1.196 nan 8.290 nan 0.000 0.572 75 V N 2.077 121.826 119.914 -0.275 0.000 2.427 75 V HA 0.506 4.670 4.120 0.073 0.000 0.286 75 V C -1.634 174.343 176.094 -0.195 0.000 1.034 75 V CA -1.073 60.960 62.300 -0.444 0.000 0.893 75 V CB 1.521 32.963 31.823 -0.635 0.000 0.982 75 V HN 0.688 nan 8.190 nan 0.000 0.452 76 P HA 0.091 nan 4.420 nan 0.000 0.261 76 P C -2.124 175.130 177.300 -0.076 0.000 1.173 76 P CA -0.741 62.327 63.100 -0.053 0.000 0.760 76 P CB 0.092 31.787 31.700 -0.007 0.000 0.783 77 P HA -0.158 nan 4.420 nan 0.000 0.218 77 P C 1.403 178.670 177.300 -0.056 0.000 1.149 77 P CA 1.509 64.570 63.100 -0.064 0.000 0.817 77 P CB 0.043 31.716 31.700 -0.046 0.000 0.785 78 Q N -0.972 118.804 119.800 -0.040 0.000 2.049 78 Q HA -0.094 4.290 4.340 0.073 0.000 0.198 78 Q C 2.207 178.186 176.000 -0.034 0.000 0.971 78 Q CA 0.950 56.736 55.803 -0.029 0.000 0.833 78 Q CB -0.800 27.929 28.738 -0.016 0.000 0.896 78 Q HN 0.226 nan 8.270 nan 0.000 0.434 79 L N 0.632 121.830 121.223 -0.041 0.000 1.990 79 L HA -0.263 4.121 4.340 0.073 0.000 0.213 79 L C 2.447 179.266 176.870 -0.086 0.000 1.072 79 L CA 1.210 56.017 54.840 -0.055 0.000 0.755 79 L CB -0.416 41.611 42.059 -0.052 0.000 0.889 79 L HN 0.320 nan 8.230 nan 0.000 0.432 80 L N -0.206 120.945 121.223 -0.120 0.000 1.978 80 L HA -0.303 4.081 4.340 0.073 0.000 0.218 80 L C 2.850 179.667 176.870 -0.089 0.000 1.075 80 L CA 2.432 57.186 54.840 -0.144 0.000 0.767 80 L CB -0.900 41.059 42.059 -0.166 0.000 0.890 80 L HN 0.390 nan 8.230 nan 0.000 0.434 81 S N -0.757 114.907 115.700 -0.061 0.000 2.387 81 S HA -0.321 4.193 4.470 0.073 0.000 0.230 81 S C 2.330 176.928 174.600 -0.003 0.000 1.035 81 S CA 1.741 59.922 58.200 -0.032 0.000 1.014 81 S CB -0.525 62.659 63.200 -0.027 0.000 0.836 81 S HN 0.602 nan 8.310 nan 0.000 0.466 82 R N 0.536 121.037 120.500 0.001 0.000 2.075 82 R HA 0.026 4.410 4.340 0.073 0.000 0.232 82 R C 2.481 178.832 176.300 0.084 0.000 1.126 82 R CA 1.343 57.472 56.100 0.048 0.000 0.963 82 R CB -0.854 29.462 30.300 0.026 0.000 0.858 82 R HN 0.481 nan 8.270 nan 0.000 0.435 83 A N 0.409 123.225 122.820 -0.006 0.000 1.908 83 A HA -0.137 4.227 4.320 0.073 0.000 0.218 83 A C 2.278 179.911 177.584 0.081 0.000 1.181 83 A CA 1.772 53.798 52.037 -0.018 0.000 0.627 83 A CB -0.685 18.268 19.000 -0.078 0.000 0.818 83 A HN 0.251 nan 8.150 nan 0.000 0.445 84 V N 0.079 120.017 119.914 0.039 0.000 2.343 84 V HA -0.217 3.947 4.120 0.073 0.000 0.247 84 V C 3.029 179.176 176.094 0.089 0.000 1.051 84 V CA 2.491 64.816 62.300 0.042 0.000 1.036 84 V CB -0.997 30.823 31.823 -0.005 0.000 0.654 84 V HN 0.848 nan 8.190 nan 0.000 0.451 85 T N -2.345 112.264 114.554 0.092 0.000 2.995 85 T HA -0.222 4.172 4.350 0.073 0.000 0.269 85 T C 1.690 176.451 174.700 0.101 0.000 1.091 85 T CA 1.650 63.796 62.100 0.076 0.000 1.128 85 T CB -0.395 68.500 68.868 0.044 0.000 0.891 85 T HN 0.604 nan 8.240 nan 0.000 0.492 86 H N 0.359 119.481 119.070 0.086 0.000 2.293 86 H HA 0.094 4.694 4.556 0.073 0.000 0.300 86 H C 2.406 177.883 175.328 0.249 0.000 1.082 86 H CA 1.976 58.113 56.048 0.149 0.000 1.308 86 H CB -0.403 29.419 29.762 0.100 0.000 1.375 86 H HN 0.226 nan 8.280 nan 0.000 0.495 87 V N 0.408 120.529 119.914 0.345 0.000 2.295 87 V HA -0.257 3.907 4.120 0.073 0.000 0.246 87 V C 2.497 178.691 176.094 0.167 0.000 1.049 87 V CA 2.101 64.526 62.300 0.207 0.000 1.024 87 V CB -0.462 31.419 31.823 0.096 0.000 0.648 87 V HN 0.344 nan 8.190 nan 0.000 0.447 88 R N -0.072 120.523 120.500 0.157 0.000 2.070 88 R HA -0.190 4.194 4.340 0.073 0.000 0.233 88 R C 2.704 179.113 176.300 0.181 0.000 1.137 88 R CA 1.878 58.081 56.100 0.173 0.000 0.945 88 R CB -0.575 29.785 30.300 0.099 0.000 0.845 88 R HN 0.481 nan 8.270 nan 0.000 0.430 89 S N -0.464 115.316 115.700 0.133 0.000 2.372 89 S HA -0.264 4.250 4.470 0.073 0.000 0.227 89 S C 1.814 176.500 174.600 0.143 0.000 1.044 89 S CA 1.748 60.011 58.200 0.104 0.000 1.050 89 S CB -0.515 62.712 63.200 0.044 0.000 0.901 89 S HN 0.557 nan 8.310 nan 0.000 0.447 90 Y N 1.469 121.817 120.300 0.080 0.000 2.163 90 Y HA 0.010 4.604 4.550 0.073 0.000 0.288 90 Y C 2.002 177.918 175.900 0.027 0.000 1.136 90 Y CA 1.837 59.981 58.100 0.074 0.000 1.147 90 Y CB -0.318 38.224 38.460 0.137 0.000 0.987 90 Y HN 0.306 nan 8.280 nan 0.000 0.509 91 I N 0.048 120.697 120.570 0.132 0.000 2.493 91 I HA -0.252 3.962 4.170 0.073 0.000 0.254 91 I C 2.039 178.147 176.117 -0.015 0.000 1.160 91 I CA 1.386 62.675 61.300 -0.019 0.000 1.445 91 I CB -0.392 37.565 38.000 -0.072 0.000 1.086 91 I HN 0.311 nan 8.210 nan 0.000 0.433 92 E N 0.424 120.711 120.200 0.144 0.000 2.110 92 E HA -0.206 4.188 4.350 0.073 0.000 0.193 92 E C 2.200 178.824 176.600 0.040 0.000 0.988 92 E CA 1.922 58.435 56.400 0.187 0.000 0.804 92 E CB -0.119 29.677 29.700 0.160 0.000 0.745 92 E HN 0.595 nan 8.360 nan 0.000 0.458 93 T N -1.011 113.509 114.554 -0.057 0.000 3.023 93 T HA -0.005 4.389 4.350 0.073 0.000 0.266 93 T C 1.749 176.362 174.700 -0.146 0.000 1.093 93 T CA 0.327 62.362 62.100 -0.109 0.000 1.129 93 T CB 0.075 68.844 68.868 -0.165 0.000 0.899 93 T HN -0.052 nan 8.240 nan 0.000 0.491 94 I N 1.866 122.323 120.570 -0.187 0.000 2.512 94 I HA 0.259 4.473 4.170 0.073 0.000 0.247 94 I C 2.386 178.440 176.117 -0.104 0.000 1.094 94 I CA 0.651 61.850 61.300 -0.169 0.000 1.427 94 I CB -0.831 37.042 38.000 -0.212 0.000 1.149 94 I HN 0.427 nan 8.210 nan 0.000 0.438 95 I N -1.348 119.157 120.570 -0.107 0.000 3.860 95 I HA 0.535 4.749 4.170 0.073 0.000 0.319 95 I C 0.976 177.099 176.117 0.010 0.000 1.279 95 I CA 0.184 61.434 61.300 -0.084 0.000 1.220 95 I CB -0.069 37.821 38.000 -0.183 0.000 1.027 95 I HN 0.238 nan 8.210 nan 0.000 0.428 96 G N 1.957 110.791 108.800 0.055 0.000 2.760 96 G HA2 -0.260 3.744 3.960 0.073 0.000 0.246 96 G HA3 -0.260 3.744 3.960 0.073 0.000 0.246 96 G C 0.349 175.392 174.900 0.238 0.000 1.359 96 G CA 0.030 45.199 45.100 0.117 0.000 0.861 96 G HN 0.539 nan 8.290 nan 0.000 0.541 97 T N -2.838 111.825 114.554 0.181 0.000 3.069 97 T HA 0.248 4.642 4.350 0.073 0.000 0.252 97 T C 0.953 175.734 174.700 0.135 0.000 1.053 97 T CA 0.912 63.097 62.100 0.141 0.000 0.964 97 T CB -0.097 68.798 68.868 0.045 0.000 1.005 97 T HN 0.978 nan 8.240 nan 0.000 0.532 98 H N 2.197 121.322 119.070 0.092 0.000 3.152 98 H HA 0.024 4.624 4.556 0.073 0.000 0.319 98 H C -0.288 175.102 175.328 0.102 0.000 0.994 98 H CA 0.628 56.723 56.048 0.077 0.000 1.370 98 H CB 0.439 30.240 29.762 0.065 0.000 1.322 98 H HN 0.302 nan 8.280 nan 0.000 0.590 99 R N 3.361 123.517 120.500 -0.573 0.000 2.265 99 R HA 0.173 4.557 4.340 0.073 0.000 0.328 99 R C -0.259 175.724 176.300 -0.528 0.000 0.969 99 R CA -0.625 55.252 56.100 -0.373 0.000 0.832 99 R CB 1.332 31.504 30.300 -0.214 0.000 1.139 99 R HN 0.476 nan 8.270 nan 0.000 0.457 100 S N 5.248 120.847 115.700 -0.169 0.000 2.516 100 S HA 0.110 4.624 4.470 0.073 0.000 0.282 100 S C -2.054 172.526 174.600 -0.033 0.000 1.286 100 S CA -0.953 57.241 58.200 -0.011 0.000 1.066 100 S CB 0.437 63.693 63.200 0.093 0.000 0.884 100 S HN 0.374 nan 8.310 nan 0.000 0.491 101 P HA 0.049 nan 4.420 nan 0.000 0.266 101 P C -0.321 176.950 177.300 -0.048 0.000 1.195 101 P CA -0.332 62.750 63.100 -0.031 0.000 0.768 101 P CB 0.267 31.971 31.700 0.008 0.000 0.838 102 V N 3.731 123.564 119.914 -0.135 0.000 2.901 102 V HA -0.090 4.074 4.120 0.073 0.000 0.307 102 V C 1.150 177.223 176.094 -0.035 0.000 1.084 102 V CA 0.097 62.303 62.300 -0.156 0.000 1.184 102 V CB -0.327 31.258 31.823 -0.397 0.000 0.941 102 V HN 0.347 nan 8.190 nan 0.000 0.493 103 L N 2.983 124.234 121.223 0.047 0.000 2.461 103 L HA 0.116 4.500 4.340 0.073 0.000 0.272 103 L C 1.046 178.054 176.870 0.229 0.000 1.197 103 L CA 0.253 55.165 54.840 0.119 0.000 0.836 103 L CB 0.361 42.495 42.059 0.126 0.000 1.105 103 L HN 0.714 nan 8.230 nan 0.000 0.477 104 T N 0.686 115.343 114.554 0.172 0.000 2.791 104 T HA -0.117 4.277 4.350 0.073 0.000 0.323 104 T C 0.852 175.578 174.700 0.042 0.000 1.082 104 T CA 0.303 62.517 62.100 0.191 0.000 1.084 104 T CB 0.298 69.244 68.868 0.131 0.000 0.992 104 T HN 0.507 nan 8.240 nan 0.000 0.547 105 Y N 1.792 121.836 120.300 -0.426 0.000 2.165 105 Y HA -0.231 4.362 4.550 0.073 0.000 0.286 105 Y C 2.571 178.212 175.900 -0.432 0.000 1.155 105 Y CA 2.436 59.866 58.100 -1.117 0.000 1.164 105 Y CB -0.273 37.315 38.460 -1.453 0.000 0.978 105 Y HN 0.882 nan 8.280 nan 0.000 0.513 106 H N -0.175 118.761 119.070 -0.224 0.000 2.363 106 H HA -0.141 4.459 4.556 0.073 0.000 0.301 106 H C 1.968 177.236 175.328 -0.101 0.000 1.074 106 H CA 1.822 57.779 56.048 -0.152 0.000 1.354 106 H CB 0.014 29.774 29.762 -0.004 0.000 1.397 106 H HN 0.484 nan 8.280 nan 0.000 0.516 107 Q N 0.523 120.185 119.800 -0.231 0.000 2.014 107 Q HA -0.179 4.205 4.340 0.073 0.000 0.207 107 Q C 2.614 178.506 176.000 -0.180 0.000 0.993 107 Q CA 2.157 57.843 55.803 -0.194 0.000 0.850 107 Q CB -0.227 28.491 28.738 -0.033 0.000 0.916 107 Q HN 0.544 nan 8.270 nan 0.000 0.417 108 A N 0.075 122.815 122.820 -0.134 0.000 1.873 108 A HA -0.266 4.098 4.320 0.073 0.000 0.218 108 A C 2.376 179.876 177.584 -0.140 0.000 1.193 108 A CA 1.674 53.667 52.037 -0.073 0.000 0.629 108 A CB -1.260 17.755 19.000 0.025 0.000 0.826 108 A HN 0.590 nan 8.150 nan 0.000 0.447 109 C N 0.092 119.220 119.300 -0.286 0.000 2.398 109 C HA -0.169 4.335 4.460 0.073 0.000 0.276 109 C C 2.683 177.656 174.990 -0.029 0.000 1.222 109 C CA 1.352 60.298 59.018 -0.120 0.000 1.746 109 C CB -1.531 26.134 27.740 -0.126 0.000 2.039 109 C HN 0.796 nan 8.230 nan 0.000 0.470 110 E N 1.001 121.077 120.200 -0.206 0.000 2.153 110 E HA -0.180 4.214 4.350 0.073 0.000 0.194 110 E C 1.703 178.161 176.600 -0.236 0.000 0.988 110 E CA 1.046 57.279 56.400 -0.277 0.000 0.811 110 E CB -0.413 29.127 29.700 -0.267 0.000 0.746 110 E HN 0.632 nan 8.360 nan 0.000 0.466 111 L N 1.184 122.320 121.223 -0.145 0.000 2.376 111 L HA 0.021 4.405 4.340 0.073 0.000 0.219 111 L C 1.105 177.921 176.870 -0.090 0.000 1.133 111 L CA 0.063 54.843 54.840 -0.100 0.000 0.816 111 L CB -0.448 41.587 42.059 -0.039 0.000 0.933 111 L HN 0.089 nan 8.230 nan 0.000 0.449 112 L N 0.748 121.933 121.223 -0.065 0.000 2.514 112 L HA -0.028 4.356 4.340 0.073 0.000 0.280 112 L C 0.756 177.588 176.870 -0.064 0.000 1.223 112 L CA -0.169 54.644 54.840 -0.044 0.000 0.864 112 L CB 0.093 42.147 42.059 -0.009 0.000 1.118 112 L HN 0.007 nan 8.230 nan 0.000 0.494 113 E N 2.213 122.379 120.200 -0.057 0.000 2.029 113 E HA 0.030 4.424 4.350 0.073 0.000 0.276 113 E C 0.760 177.343 176.600 -0.028 0.000 1.163 113 E CA 0.274 56.640 56.400 -0.056 0.000 0.909 113 E CB 0.460 30.132 29.700 -0.046 0.000 1.046 113 E HN 0.295 nan 8.360 nan 0.000 0.406 114 R N 2.058 122.527 120.500 -0.053 0.000 2.237 114 R HA -0.059 4.325 4.340 0.073 0.000 0.219 114 R C 1.507 177.820 176.300 0.022 0.000 1.080 114 R CA 1.377 57.480 56.100 0.005 0.000 0.995 114 R CB 0.080 30.326 30.300 -0.091 0.000 0.875 114 R HN 0.386 nan 8.270 nan 0.000 0.462 115 T N -0.483 114.066 114.554 -0.008 0.000 3.055 115 T HA -0.022 4.372 4.350 0.073 0.000 0.265 115 T C 0.747 175.453 174.700 0.011 0.000 1.111 115 T CA 0.876 62.976 62.100 -0.001 0.000 1.118 115 T CB 0.137 68.996 68.868 -0.015 0.000 0.909 115 T HN 0.202 nan 8.240 nan 0.000 0.501 116 T N 0.407 114.969 114.554 0.013 0.000 2.923 116 T HA 0.523 4.917 4.350 0.073 0.000 0.281 116 T C 0.320 175.037 174.700 0.027 0.000 0.995 116 T CA -0.525 61.585 62.100 0.017 0.000 0.985 116 T CB 1.242 70.117 68.868 0.011 0.000 1.114 116 T HN 0.243 nan 8.240 nan 0.000 0.548 117 S N 0.122 115.836 115.700 0.023 0.000 2.587 117 S HA 0.058 4.572 4.470 0.073 0.000 0.260 117 S C 1.206 175.807 174.600 0.002 0.000 1.353 117 S CA -0.263 57.949 58.200 0.020 0.000 0.995 117 S CB -0.263 62.943 63.200 0.010 0.000 0.912 117 S HN 0.802 nan 8.310 nan 0.000 0.568 118 C N 1.766 121.059 119.300 -0.013 0.000 2.791 118 C HA 0.628 5.132 4.460 0.073 0.000 0.270 118 C C 1.526 176.444 174.990 -0.120 0.000 1.257 118 C CA 0.073 59.055 59.018 -0.060 0.000 1.699 118 C CB -1.597 26.103 27.740 -0.066 0.000 1.904 118 C HN 1.338 nan 8.230 nan 0.000 0.603 119 G N 1.960 110.683 108.800 -0.128 0.000 2.582 119 G HA2 -0.128 3.876 3.960 0.073 0.000 0.222 119 G HA3 -0.128 3.876 3.960 0.073 0.000 0.222 119 G C -2.263 172.434 174.900 -0.338 0.000 1.311 119 G CA 0.034 45.003 45.100 -0.219 0.000 0.915 119 G HN -0.010 nan 8.290 nan 0.000 0.528 120 P HA 0.220 nan 4.420 nan 0.000 0.245 120 P C 1.146 178.069 177.300 -0.628 0.000 1.206 120 P CA 0.943 63.628 63.100 -0.693 0.000 0.781 120 P CB -0.077 30.966 31.700 -1.096 0.000 0.994 121 F N -0.963 118.821 119.950 -0.278 0.000 2.731 121 F HA 0.163 4.734 4.527 0.074 0.000 0.298 121 F C 0.844 176.446 175.800 -0.330 0.000 1.106 121 F CA -0.253 57.572 58.000 -0.292 0.000 1.329 121 F CB 0.510 39.337 39.000 -0.289 0.000 1.100 121 F HN -0.371 nan 8.300 nan 0.000 0.592 122 V N 0.659 120.447 119.914 -0.211 0.000 2.656 122 V HA 0.266 4.430 4.120 0.073 0.000 0.307 122 V C -0.418 175.641 176.094 -0.058 0.000 1.051 122 V CA -1.244 60.949 62.300 -0.178 0.000 0.893 122 V CB 1.762 33.386 31.823 -0.331 0.000 0.999 122 V HN -0.002 nan 8.190 nan 0.000 0.426 123 Q N 1.769 121.590 119.800 0.036 0.000 2.368 123 Q HA 0.606 4.990 4.340 0.073 0.000 0.237 123 Q C 0.793 176.893 176.000 0.167 0.000 0.987 123 Q CA 0.863 56.713 55.803 0.079 0.000 0.896 123 Q CB 1.274 30.055 28.738 0.072 0.000 1.241 123 Q HN 1.265 nan 8.270 nan 0.000 0.485 124 G N 0.014 108.875 108.800 0.102 0.000 2.660 124 G HA2 -0.218 3.786 3.960 0.073 0.000 0.215 124 G HA3 -0.218 3.786 3.960 0.073 0.000 0.215 124 G C -0.946 174.020 174.900 0.110 0.000 1.345 124 G CA -0.973 44.182 45.100 0.091 0.000 0.877 124 G HN 0.467 nan 8.290 nan 0.000 0.549 125 L N 0.472 121.745 121.223 0.083 0.000 2.357 125 L HA 0.353 4.737 4.340 0.073 0.000 0.273 125 L C 1.941 178.933 176.870 0.203 0.000 1.080 125 L CA -0.726 54.174 54.840 0.100 0.000 0.803 125 L CB 1.254 43.347 42.059 0.056 0.000 1.174 125 L HN 0.767 nan 8.230 nan 0.000 0.443 126 K N 1.976 122.496 120.400 0.201 0.000 2.211 126 K HA -0.129 4.235 4.320 0.073 0.000 0.204 126 K C 1.730 178.619 176.600 0.482 0.000 1.047 126 K CA 1.423 57.888 56.287 0.296 0.000 0.935 126 K CB -0.135 32.442 32.500 0.128 0.000 0.728 126 K HN 0.946 nan 8.250 nan 0.000 0.452 127 G N 1.168 110.140 108.800 0.286 0.000 2.598 127 G HA2 -0.177 3.827 3.960 0.073 0.000 0.215 127 G HA3 -0.177 3.827 3.960 0.073 0.000 0.215 127 G C 0.744 175.761 174.900 0.194 0.000 1.131 127 G CA 0.304 45.557 45.100 0.255 0.000 0.785 127 G HN 0.179 nan 8.290 nan 0.000 0.539 128 D N -0.305 120.131 120.400 0.060 0.000 2.309 128 D HA -0.063 4.621 4.640 0.073 0.000 0.212 128 D C 1.032 177.196 176.300 -0.227 0.000 0.968 128 D CA 0.855 54.730 54.000 -0.208 0.000 0.882 128 D CB -0.060 40.429 40.800 -0.517 0.000 0.918 128 D HN 0.576 nan 8.370 nan 0.000 0.503 129 Y N -2.131 118.333 120.300 0.274 0.000 2.471 129 Y HA 0.135 4.729 4.550 0.073 0.000 0.249 129 Y C 0.603 176.722 175.900 0.364 0.000 1.116 129 Y CA -0.827 57.458 58.100 0.309 0.000 1.240 129 Y CB 0.485 39.158 38.460 0.355 0.000 1.251 129 Y HN -0.053 nan 8.280 nan 0.000 0.527 130 W N 3.754 125.181 121.300 0.212 0.000 2.345 130 W HA 0.151 4.854 4.660 0.073 0.000 0.308 130 W C -0.669 175.804 176.519 -0.076 0.000 1.273 130 W CA -0.031 57.241 57.345 -0.123 0.000 1.243 130 W CB 0.646 29.965 29.460 -0.236 0.000 1.260 130 W HN -0.013 nan 8.180 nan 0.000 0.509 131 D N 5.393 125.333 120.400 -0.766 0.000 2.365 131 D HA -0.018 4.666 4.640 0.073 0.000 0.237 131 D C 0.081 175.933 176.300 -0.747 0.000 1.190 131 D CA 0.086 53.735 54.000 -0.586 0.000 0.867 131 D CB 0.757 41.291 40.800 -0.444 0.000 1.050 131 D HN 0.484 nan 8.370 nan 0.000 0.491 132 E N 3.180 123.206 120.200 -0.289 0.000 2.594 132 E HA 0.084 4.478 4.350 0.073 0.000 0.300 132 E C 0.175 176.733 176.600 -0.070 0.000 1.568 132 E CA -0.153 56.212 56.400 -0.057 0.000 1.811 132 E CB 0.176 29.949 29.700 0.121 0.000 1.458 132 E HN 0.412 nan 8.360 nan 0.000 0.470 133 E N 0.580 120.687 120.200 -0.154 0.000 2.628 133 E HA -0.083 4.311 4.350 0.073 0.000 0.094 133 E C 0.667 177.190 176.600 -0.130 0.000 0.809 133 E CA 0.061 56.397 56.400 -0.108 0.000 1.527 133 E CB -0.791 28.889 29.700 -0.033 0.000 0.928 133 E HN 0.210 nan 8.360 nan 0.000 0.356 134 Q N 0.967 120.655 119.800 -0.187 0.000 2.308 134 Q HA -0.218 4.166 4.340 0.073 0.000 0.209 134 Q C 0.217 176.049 176.000 -0.281 0.000 0.985 134 Q CA 1.742 57.417 55.803 -0.215 0.000 0.881 134 Q CB -0.238 28.362 28.738 -0.229 0.000 0.917 134 Q HN 0.523 nan 8.270 nan 0.000 0.443 135 Q N -0.380 119.192 119.800 -0.380 0.000 2.452 135 Q HA -0.274 4.110 4.340 0.073 0.000 0.318 135 Q C -0.893 174.739 176.000 -0.613 0.000 1.386 135 Q CA 1.084 56.651 55.803 -0.392 0.000 0.872 135 Q CB -2.077 26.665 28.738 0.006 0.000 1.151 135 Q HN 0.523 nan 8.270 nan 0.000 0.417 136 Q N -1.646 117.446 119.800 -1.181 0.000 2.630 136 Q HA 0.608 4.992 4.340 0.073 0.000 0.295 136 Q C -1.393 174.096 176.000 -0.850 0.000 0.944 136 Q CA -1.231 54.114 55.803 -0.762 0.000 0.766 136 Q CB 0.613 29.218 28.738 -0.223 0.000 1.471 136 Q HN 0.201 nan 8.270 nan 0.000 0.416 137 Y N 0.163 120.422 120.300 -0.068 0.000 2.299 137 Y HA 0.595 5.189 4.550 0.073 0.000 0.335 137 Y C 0.495 176.418 175.900 0.038 0.000 1.287 137 Y CA 0.398 58.560 58.100 0.103 0.000 1.424 137 Y CB 1.907 40.508 38.460 0.236 0.000 1.326 137 Y HN 0.709 nan 8.280 nan 0.000 0.567 138 T N -0.205 114.514 114.554 0.274 0.000 2.843 138 T HA 0.541 4.935 4.350 0.073 0.000 0.302 138 T C -0.082 174.755 174.700 0.230 0.000 1.232 138 T CA 0.087 62.287 62.100 0.167 0.000 1.009 138 T CB 1.127 70.043 68.868 0.080 0.000 1.254 138 T HN 1.129 nan 8.240 nan 0.000 0.504 139 G N 1.001 109.897 108.800 0.161 0.000 2.528 139 G HA2 -0.249 3.755 3.960 0.073 0.000 0.262 139 G HA3 -0.249 3.755 3.960 0.073 0.000 0.262 139 G C 1.255 176.223 174.900 0.112 0.000 1.200 139 G CA 0.724 45.927 45.100 0.171 0.000 0.951 139 G HN 1.678 nan 8.290 nan 0.000 0.566 140 V N -0.100 119.877 119.914 0.105 0.000 2.427 140 V HA 0.062 4.226 4.120 0.073 0.000 0.248 140 V C 2.711 178.714 176.094 -0.152 0.000 1.051 140 V CA 2.978 65.273 62.300 -0.007 0.000 1.048 140 V CB -0.465 31.376 31.823 0.030 0.000 0.666 140 V HN 1.530 nan 8.190 nan 0.000 0.456 141 L N 1.647 122.580 121.223 -0.483 0.000 1.989 141 L HA 0.030 4.414 4.340 0.073 0.000 0.211 141 L C 2.718 179.528 176.870 -0.099 0.000 1.071 141 L CA 2.725 57.286 54.840 -0.465 0.000 0.749 141 L CB -1.370 40.139 42.059 -0.915 0.000 0.890 141 L HN 0.386 nan 8.230 nan 0.000 0.431 142 A N -0.528 122.308 122.820 0.027 0.000 1.917 142 A HA -0.319 4.045 4.320 0.073 0.000 0.219 142 A C 2.301 179.952 177.584 0.112 0.000 1.182 142 A CA 2.136 54.264 52.037 0.151 0.000 0.633 142 A CB -1.136 17.981 19.000 0.196 0.000 0.819 142 A HN 0.722 nan 8.150 nan 0.000 0.448 143 N N -1.441 117.302 118.700 0.072 0.000 2.223 143 N HA -0.234 4.550 4.740 0.073 0.000 0.185 143 N C 1.740 177.297 175.510 0.079 0.000 1.016 143 N CA 1.649 54.737 53.050 0.064 0.000 0.863 143 N CB -0.240 38.276 38.487 0.049 0.000 0.983 143 N HN 0.720 nan 8.380 nan 0.000 0.429 144 H N 0.909 119.968 119.070 -0.018 0.000 2.326 144 H HA 0.051 4.652 4.556 0.075 0.000 0.301 144 H C 2.238 177.589 175.328 0.039 0.000 1.081 144 H CA 1.514 57.554 56.048 -0.014 0.000 1.334 144 H CB -0.253 29.474 29.762 -0.058 0.000 1.385 144 H HN 0.133 nan 8.280 nan 0.000 0.504 145 L N 0.091 121.357 121.223 0.071 0.000 2.046 145 L HA -0.135 4.248 4.340 0.073 0.000 0.208 145 L C 2.506 179.510 176.870 0.223 0.000 1.077 145 L CA 1.416 56.336 54.840 0.133 0.000 0.747 145 L CB -0.446 41.732 42.059 0.200 0.000 0.896 145 L HN 0.372 nan 8.230 nan 0.000 0.432 146 E N 0.067 120.361 120.200 0.157 0.000 2.058 146 E HA -0.228 4.166 4.350 0.073 0.000 0.194 146 E C 2.275 178.918 176.600 0.072 0.000 0.997 146 E CA 1.122 57.554 56.400 0.054 0.000 0.801 146 E CB -0.188 29.490 29.700 -0.037 0.000 0.746 146 E HN 0.505 nan 8.360 nan 0.000 0.450 147 Q N 0.225 120.040 119.800 0.024 0.000 2.084 147 Q HA -0.073 4.311 4.340 0.073 0.000 0.202 147 Q C 2.123 178.120 176.000 -0.005 0.000 0.978 147 Q CA 1.387 57.187 55.803 -0.004 0.000 0.844 147 Q CB -0.593 28.122 28.738 -0.038 0.000 0.898 147 Q HN 0.271 nan 8.270 nan 0.000 0.426 148 A N 0.665 123.471 122.820 -0.022 0.000 1.898 148 A HA -0.162 4.202 4.320 0.073 0.000 0.216 148 A C 1.888 179.519 177.584 0.078 0.000 1.181 148 A CA 1.088 53.114 52.037 -0.020 0.000 0.620 148 A CB -1.070 17.883 19.000 -0.079 0.000 0.819 148 A HN 0.590 nan 8.150 nan 0.000 0.442 149 W N 0.961 122.263 121.300 0.004 0.000 2.355 149 W HA -0.223 4.481 4.660 0.073 0.000 0.309 149 W C 1.618 178.138 176.519 0.002 0.000 1.206 149 W CA 2.298 59.672 57.345 0.050 0.000 1.284 149 W CB -0.525 29.001 29.460 0.110 0.000 1.145 149 W HN 0.542 nan 8.180 nan 0.000 0.502 150 D N 0.085 120.572 120.400 0.145 0.000 2.104 150 D HA -0.227 4.457 4.640 0.073 0.000 0.194 150 D C 2.171 178.437 176.300 -0.058 0.000 0.994 150 D CA 2.346 56.366 54.000 0.032 0.000 0.830 150 D CB -0.140 40.686 40.800 0.044 0.000 0.959 150 D HN 0.023 nan 8.370 nan 0.000 0.452 151 K N -0.192 120.175 120.400 -0.054 0.000 2.063 151 K HA -0.131 4.233 4.320 0.073 0.000 0.208 151 K C 2.175 178.705 176.600 -0.117 0.000 1.048 151 K CA 1.180 57.422 56.287 -0.076 0.000 0.928 151 K CB -0.202 32.260 32.500 -0.064 0.000 0.713 151 K HN 0.158 nan 8.250 nan 0.000 0.442 152 A N 1.887 124.608 122.820 -0.164 0.000 1.902 152 A HA -0.178 4.186 4.320 0.073 0.000 0.217 152 A C 1.743 179.174 177.584 -0.255 0.000 1.181 152 A CA 1.549 53.456 52.037 -0.217 0.000 0.623 152 A CB -0.483 18.343 19.000 -0.291 0.000 0.818 152 A HN 0.265 nan 8.150 nan 0.000 0.443 153 N N -0.464 118.050 118.700 -0.310 0.000 2.519 153 N HA -0.085 4.699 4.740 0.073 0.000 0.186 153 N C 0.994 176.394 175.510 -0.184 0.000 1.062 153 N CA 1.027 53.922 53.050 -0.258 0.000 0.910 153 N CB -0.079 38.270 38.487 -0.230 0.000 0.958 153 N HN 0.504 nan 8.380 nan 0.000 0.445 154 K N -0.572 119.740 120.400 -0.147 0.000 2.399 154 K HA 0.179 4.543 4.320 0.073 0.000 0.204 154 K C 0.683 177.220 176.600 -0.105 0.000 1.023 154 K CA 0.055 56.276 56.287 -0.111 0.000 1.127 154 K CB 0.535 32.986 32.500 -0.081 0.000 0.856 154 K HN 0.110 nan 8.250 nan 0.000 0.514 155 G N 1.301 110.027 108.800 -0.123 0.000 2.159 155 G HA2 -0.256 3.748 3.960 0.073 0.000 0.256 155 G HA3 -0.256 3.748 3.960 0.073 0.000 0.256 155 G C 0.030 174.882 174.900 -0.081 0.000 0.977 155 G CA -0.092 44.946 45.100 -0.103 0.000 0.652 155 G HN 0.265 nan 8.290 nan 0.000 0.531 156 I N 1.481 122.002 120.570 -0.082 0.000 2.312 156 I HA 0.576 4.790 4.170 0.073 0.000 0.290 156 I C 0.847 176.927 176.117 -0.063 0.000 1.008 156 I CA -0.489 60.773 61.300 -0.063 0.000 1.226 156 I CB 1.568 39.533 38.000 -0.058 0.000 1.371 156 I HN 0.252 nan 8.210 nan 0.000 0.468 157 A N 9.077 131.870 122.820 -0.044 0.000 2.354 157 A HA 0.623 4.987 4.320 0.073 0.000 0.269 157 A C -2.094 175.477 177.584 -0.020 0.000 1.109 157 A CA -1.145 50.873 52.037 -0.032 0.000 0.800 157 A CB -0.196 18.795 19.000 -0.014 0.000 1.045 157 A HN 0.518 nan 8.150 nan 0.000 0.489 158 P HA 0.195 nan 4.420 nan 0.000 0.272 158 P C -0.671 176.652 177.300 0.038 0.000 1.240 158 P CA -0.273 62.828 63.100 0.002 0.000 0.791 158 P CB 0.463 32.167 31.700 0.006 0.000 0.978 159 R N 1.093 121.636 120.500 0.072 0.000 2.347 159 R HA 0.126 4.510 4.340 0.073 0.000 0.304 159 R C 0.679 177.048 176.300 0.113 0.000 1.072 159 R CA -0.262 55.914 56.100 0.127 0.000 0.980 159 R CB -0.396 30.034 30.300 0.217 0.000 0.986 159 R HN 0.365 nan 8.270 nan 0.000 0.448 160 N N 2.017 120.789 118.700 0.121 0.000 3.027 160 N HA 0.069 4.853 4.740 0.073 0.000 0.309 160 N C -1.442 174.157 175.510 0.148 0.000 1.222 160 N CA 0.033 53.158 53.050 0.124 0.000 1.187 160 N CB 0.212 38.810 38.487 0.185 0.000 1.458 160 N HN 0.606 nan 8.380 nan 0.000 0.535 161 A N 1.985 124.742 122.820 -0.105 0.000 2.355 161 A HA 0.641 5.005 4.320 0.073 0.000 0.317 161 A C -1.391 175.908 177.584 -0.475 0.000 1.094 161 A CA -0.531 51.485 52.037 -0.035 0.000 0.764 161 A CB 0.732 19.794 19.000 0.103 0.000 1.230 161 A HN 0.420 nan 8.150 nan 0.000 0.448 162 Y N 0.569 120.950 120.300 0.136 0.000 2.477 162 Y HA 0.516 5.109 4.550 0.072 0.000 0.347 162 Y C 0.198 176.120 175.900 0.036 0.000 0.981 162 Y CA -0.780 57.394 58.100 0.123 0.000 1.033 162 Y CB 2.259 40.972 38.460 0.421 0.000 1.245 162 Y HN 0.707 nan 8.280 nan 0.000 0.455 163 K N 3.280 123.712 120.400 0.053 0.000 2.276 163 K HA 0.471 4.835 4.320 0.073 0.000 0.285 163 K C -1.386 175.223 176.600 0.014 0.000 1.062 163 K CA -0.207 56.081 56.287 0.002 0.000 0.918 163 K CB 0.369 32.824 32.500 -0.076 0.000 1.055 163 K HN 0.704 nan 8.250 nan 0.000 0.477 164 L N 4.156 125.345 121.223 -0.057 0.000 2.349 164 L HA 0.527 4.911 4.340 0.073 0.000 0.275 164 L C 0.083 176.869 176.870 -0.141 0.000 1.115 164 L CA -0.129 54.579 54.840 -0.219 0.000 0.820 164 L CB 1.388 43.254 42.059 -0.321 0.000 1.135 164 L HN 0.957 nan 8.230 nan 0.000 0.445 165 A N 4.025 126.754 122.820 -0.151 0.000 2.593 165 A HA 0.854 5.218 4.320 0.073 0.000 0.304 165 A C -1.550 175.984 177.584 -0.084 0.000 1.233 165 A CA -0.594 51.398 52.037 -0.074 0.000 0.661 165 A CB 1.214 20.198 19.000 -0.027 0.000 1.338 165 A HN 0.510 nan 8.150 nan 0.000 0.495 166 L N 0.579 121.784 121.223 -0.029 0.000 2.381 166 L HA 0.444 4.828 4.340 0.073 0.000 0.268 166 L C -0.425 176.452 176.870 0.013 0.000 0.997 166 L CA -0.763 54.066 54.840 -0.017 0.000 0.818 166 L CB 2.228 44.285 42.059 -0.004 0.000 1.310 166 L HN 0.657 nan 8.230 nan 0.000 0.416 167 K N 1.299 121.712 120.400 0.021 0.000 2.298 167 K HA 0.146 4.510 4.320 0.073 0.000 0.280 167 K C -0.858 175.770 176.600 0.047 0.000 1.032 167 K CA -0.475 55.836 56.287 0.040 0.000 0.958 167 K CB 0.945 33.473 32.500 0.046 0.000 0.978 167 K HN 0.363 nan 8.250 nan 0.000 0.472 168 D N 4.215 124.658 120.400 0.072 0.000 2.443 168 D HA 0.072 4.756 4.640 0.073 0.000 0.221 168 D C -0.764 175.643 176.300 0.180 0.000 1.097 168 D CA -0.235 53.831 54.000 0.110 0.000 0.865 168 D CB 0.330 41.194 40.800 0.106 0.000 1.034 168 D HN 0.571 nan 8.370 nan 0.000 0.511 169 E N 2.176 122.414 120.200 0.063 0.000 2.437 169 E HA 0.319 4.713 4.350 0.073 0.000 0.280 169 E C -0.719 175.660 176.600 -0.367 0.000 1.044 169 E CA -1.011 55.369 56.400 -0.033 0.000 0.826 169 E CB 0.634 30.338 29.700 0.008 0.000 1.358 169 E HN 0.170 nan 8.360 nan 0.000 0.459 170 L N 1.526 122.402 121.223 -0.579 0.000 2.462 170 L HA 0.342 4.726 4.340 0.073 0.000 0.272 170 L C 0.365 177.130 176.870 -0.174 0.000 1.166 170 L CA -0.220 54.317 54.840 -0.506 0.000 0.880 170 L CB -0.127 41.639 42.059 -0.489 0.000 1.142 170 L HN 0.343 nan 8.230 nan 0.000 0.473 171 R N 2.996 123.351 120.500 -0.242 0.000 2.867 171 R HA 0.512 4.896 4.340 0.073 0.000 0.268 171 R C -2.612 173.327 176.300 -0.603 0.000 1.014 171 R CA -2.662 53.257 56.100 -0.302 0.000 0.946 171 R CB 1.451 31.621 30.300 -0.216 0.000 1.208 171 R HN 0.169 nan 8.270 nan 0.000 0.477 172 P HA 0.155 nan 4.420 nan 0.000 0.264 172 P C 0.829 177.957 177.300 -0.286 0.000 1.193 172 P CA 0.177 62.895 63.100 -0.635 0.000 0.763 172 P CB 0.378 31.831 31.700 -0.412 0.000 0.810 173 I N 2.020 122.493 120.570 -0.161 0.000 2.335 173 I HA -0.299 3.915 4.170 0.073 0.000 0.251 173 I C 1.673 177.768 176.117 -0.037 0.000 1.129 173 I CA 1.616 62.892 61.300 -0.040 0.000 1.402 173 I CB -0.489 37.533 38.000 0.037 0.000 1.069 173 I HN 0.405 nan 8.210 nan 0.000 0.424 174 E N 1.221 121.384 120.200 -0.061 0.000 2.085 174 E HA -0.219 4.175 4.350 0.073 0.000 0.194 174 E C 2.090 178.632 176.600 -0.097 0.000 0.994 174 E CA 1.239 57.606 56.400 -0.055 0.000 0.801 174 E CB -0.187 29.484 29.700 -0.049 0.000 0.743 174 E HN 0.413 nan 8.360 nan 0.000 0.453 175 K N 0.336 120.653 120.400 -0.138 0.000 2.025 175 K HA -0.041 4.323 4.320 0.073 0.000 0.207 175 K C 1.882 178.338 176.600 -0.240 0.000 1.049 175 K CA 1.129 57.311 56.287 -0.176 0.000 0.933 175 K CB -0.137 32.258 32.500 -0.174 0.000 0.714 175 K HN 0.048 nan 8.250 nan 0.000 0.438 176 N N 1.289 119.851 118.700 -0.229 0.000 2.104 176 N HA -0.156 4.628 4.740 0.073 0.000 0.190 176 N C 1.419 176.572 175.510 -0.595 0.000 1.024 176 N CA 1.171 54.020 53.050 -0.336 0.000 0.853 176 N CB -0.081 38.337 38.487 -0.115 0.000 1.008 176 N HN 0.157 nan 8.380 nan 0.000 0.424 177 K N 0.604 120.824 120.400 -0.301 0.000 2.288 177 K HA 0.104 4.468 4.320 0.073 0.000 0.201 177 K C 1.588 178.125 176.600 -0.104 0.000 1.048 177 K CA 0.651 56.843 56.287 -0.158 0.000 0.956 177 K CB -0.016 32.527 32.500 0.072 0.000 0.746 177 K HN 0.154 nan 8.250 nan 0.000 0.461 178 A N 0.630 123.323 122.820 -0.211 0.000 2.208 178 A HA 0.185 4.549 4.320 0.073 0.000 0.209 178 A C 1.322 178.602 177.584 -0.507 0.000 1.161 178 A CA 0.920 52.830 52.037 -0.212 0.000 0.782 178 A CB -0.257 18.640 19.000 -0.171 0.000 0.816 178 A HN 0.374 nan 8.150 nan 0.000 0.477 179 G N -0.404 107.769 108.800 -1.045 0.000 2.160 179 G HA2 -0.240 3.764 3.960 0.073 0.000 0.244 179 G HA3 -0.240 3.764 3.960 0.073 0.000 0.244 179 G C -0.050 174.363 174.900 -0.811 0.000 1.022 179 G CA 0.414 44.464 45.100 -1.750 0.000 0.741 179 G HN 0.579 nan 8.290 nan 0.000 0.508 180 K N -0.275 119.810 120.400 -0.524 0.000 2.156 180 K HA 0.671 5.035 4.320 0.073 0.000 0.271 180 K C 0.344 176.796 176.600 -0.247 0.000 0.995 180 K CA -0.596 55.505 56.287 -0.310 0.000 0.890 180 K CB 1.470 33.837 32.500 -0.222 0.000 1.073 180 K HN 0.291 nan 8.250 nan 0.000 0.454 181 R N 2.080 122.479 120.500 -0.169 0.000 2.584 181 R HA 0.245 4.629 4.340 0.073 0.000 0.276 181 R C -1.082 175.186 176.300 -0.054 0.000 1.046 181 R CA -0.802 55.235 56.100 -0.105 0.000 0.906 181 R CB 1.360 31.606 30.300 -0.091 0.000 1.215 181 R HN 0.560 nan 8.270 nan 0.000 0.449 182 R N 3.060 123.548 120.500 -0.021 0.000 2.590 182 R HA 0.171 4.555 4.340 0.073 0.000 0.274 182 R C -0.112 176.205 176.300 0.029 0.000 1.061 182 R CA -0.190 55.925 56.100 0.025 0.000 1.081 182 R CB 0.365 30.694 30.300 0.048 0.000 0.984 182 R HN 0.414 nan 8.270 nan 0.000 0.448 183 L N 3.479 124.739 121.223 0.060 0.000 2.499 183 L HA 0.032 4.416 4.340 0.073 0.000 0.273 183 L C -0.103 176.798 176.870 0.051 0.000 1.195 183 L CA -0.234 54.608 54.840 0.003 0.000 0.882 183 L CB 0.241 42.310 42.059 0.018 0.000 1.133 183 L HN 0.368 nan 8.230 nan 0.000 0.483 184 L N 4.343 125.538 121.223 -0.047 0.000 2.265 184 L HA 0.386 4.770 4.340 0.073 0.000 0.289 184 L C -1.229 175.622 176.870 -0.032 0.000 1.033 184 L CA -0.041 54.819 54.840 0.034 0.000 0.814 184 L CB 0.756 42.833 42.059 0.030 0.000 1.203 184 L HN 0.293 nan 8.230 nan 0.000 0.423 185 W N 4.420 125.729 121.300 0.015 0.000 2.308 185 W HA 0.639 5.346 4.660 0.078 0.000 0.311 185 W C 0.747 177.376 176.519 0.183 0.000 1.088 185 W CA -1.043 56.336 57.345 0.057 0.000 1.309 185 W CB 1.348 30.710 29.460 -0.163 0.000 1.229 185 W HN 0.769 nan 8.180 nan 0.000 0.427 186 G N 2.650 111.660 108.800 0.350 0.000 2.546 186 G HA2 0.277 4.281 3.960 0.073 0.000 0.320 186 G HA3 0.277 4.281 3.960 0.073 0.000 0.320 186 G C -0.391 174.601 174.900 0.153 0.000 0.984 186 G CA -0.480 44.747 45.100 0.213 0.000 1.183 186 G HN 0.677 nan 8.290 nan 0.000 0.443 187 C N 3.417 122.803 119.300 0.143 0.000 2.634 187 C HA 0.120 4.624 4.460 0.073 0.000 0.418 187 C C 1.031 175.897 174.990 -0.206 0.000 1.373 187 C CA -0.458 58.446 59.018 -0.192 0.000 1.756 187 C CB -0.384 27.299 27.740 -0.094 0.000 2.589 187 C HN 0.814 nan 8.230 nan 0.000 0.602 188 D N 3.589 123.797 120.400 -0.320 0.000 2.581 188 D HA 0.113 4.797 4.640 0.073 0.000 0.238 188 D C 0.973 177.252 176.300 -0.035 0.000 1.145 188 D CA 1.009 54.912 54.000 -0.161 0.000 0.866 188 D CB 0.831 41.581 40.800 -0.082 0.000 1.151 188 D HN 0.688 nan 8.370 nan 0.000 0.500 189 A N 4.341 127.169 122.820 0.013 0.000 1.978 189 A HA -0.080 4.284 4.320 0.073 0.000 0.220 189 A C 2.203 179.825 177.584 0.063 0.000 1.170 189 A CA 1.993 54.042 52.037 0.020 0.000 0.636 189 A CB -0.826 18.163 19.000 -0.019 0.000 0.810 189 A HN 0.728 nan 8.150 nan 0.000 0.448 190 A N -1.010 121.889 122.820 0.131 0.000 1.902 190 A HA -0.087 4.277 4.320 0.073 0.000 0.217 190 A C 2.305 179.925 177.584 0.059 0.000 1.181 190 A CA 2.274 54.339 52.037 0.047 0.000 0.623 190 A CB -1.238 17.689 19.000 -0.122 0.000 0.818 190 A HN 0.432 nan 8.150 nan 0.000 0.443 191 T N -0.278 114.307 114.554 0.051 0.000 2.821 191 T HA -0.107 4.287 4.350 0.073 0.000 0.267 191 T C 1.998 176.743 174.700 0.074 0.000 1.046 191 T CA 1.858 63.986 62.100 0.047 0.000 1.139 191 T CB -0.514 68.358 68.868 0.007 0.000 0.871 191 T HN 0.551 nan 8.240 nan 0.000 0.454 192 T N 2.509 117.095 114.554 0.053 0.000 2.708 192 T HA -0.055 4.339 4.350 0.073 0.000 0.266 192 T C 1.925 176.687 174.700 0.103 0.000 1.037 192 T CA 1.027 63.165 62.100 0.064 0.000 1.146 192 T CB -0.563 68.309 68.868 0.007 0.000 0.865 192 T HN 0.165 nan 8.240 nan 0.000 0.435 193 L N 0.992 122.271 121.223 0.093 0.000 2.021 193 L HA -0.137 4.247 4.340 0.073 0.000 0.215 193 L C 2.019 179.019 176.870 0.217 0.000 1.074 193 L CA 1.771 56.697 54.840 0.144 0.000 0.760 193 L CB -0.602 41.544 42.059 0.145 0.000 0.889 193 L HN 0.150 nan 8.230 nan 0.000 0.433 194 I N -0.022 120.649 120.570 0.168 0.000 2.286 194 I HA -0.160 4.054 4.170 0.073 0.000 0.245 194 I C 2.748 178.890 176.117 0.042 0.000 1.104 194 I CA 1.312 62.665 61.300 0.089 0.000 1.397 194 I CB -2.075 35.932 38.000 0.012 0.000 1.072 194 I HN 0.364 nan 8.210 nan 0.000 0.417 195 A N 0.348 123.243 122.820 0.125 0.000 1.892 195 A HA -0.253 4.111 4.320 0.073 0.000 0.218 195 A C 2.456 180.252 177.584 0.353 0.000 1.188 195 A CA 2.705 54.884 52.037 0.237 0.000 0.631 195 A CB -1.229 18.041 19.000 0.449 0.000 0.822 195 A HN 0.424 nan 8.150 nan 0.000 0.447 196 T N 0.228 115.043 114.554 0.434 0.000 2.674 196 T HA -0.047 4.347 4.350 0.073 0.000 0.265 196 T C 2.260 177.106 174.700 0.244 0.000 1.039 196 T CA 1.866 64.241 62.100 0.458 0.000 1.150 196 T CB -0.592 68.435 68.868 0.266 0.000 0.864 196 T HN 0.648 nan 8.240 nan 0.000 0.427 197 A N 1.434 124.364 122.820 0.185 0.000 1.940 197 A HA 0.043 4.407 4.320 0.073 0.000 0.219 197 A C 2.616 180.174 177.584 -0.044 0.000 1.176 197 A CA 2.041 54.161 52.037 0.138 0.000 0.631 197 A CB -1.099 18.087 19.000 0.311 0.000 0.814 197 A HN 0.531 nan 8.150 nan 0.000 0.446 198 A N -2.142 120.553 122.820 -0.207 0.000 1.898 198 A HA 0.156 4.520 4.320 0.073 0.000 0.216 198 A C 1.534 178.844 177.584 -0.457 0.000 1.181 198 A CA 1.703 53.409 52.037 -0.551 0.000 0.620 198 A CB -0.338 18.007 19.000 -1.093 0.000 0.819 198 A HN 0.522 nan 8.150 nan 0.000 0.442 199 F N -2.303 117.546 119.950 -0.169 0.000 2.871 199 F HA 0.264 4.835 4.527 0.073 0.000 0.344 199 F C 1.477 177.020 175.800 -0.428 0.000 1.078 199 F CA -0.179 57.593 58.000 -0.380 0.000 1.149 199 F CB 0.240 38.827 39.000 -0.687 0.000 1.087 199 F HN 0.153 nan 8.300 nan 0.000 0.557 200 K N 1.548 121.946 120.400 -0.004 0.000 2.103 200 K HA 0.084 4.448 4.320 0.073 0.000 0.204 200 K C 2.077 178.737 176.600 0.101 0.000 1.052 200 K CA 1.549 57.931 56.287 0.157 0.000 0.945 200 K CB -0.257 32.433 32.500 0.317 0.000 0.722 200 K HN 0.051 nan 8.250 nan 0.000 0.443 201 A N 0.295 123.160 122.820 0.074 0.000 1.933 201 A HA -0.074 4.290 4.320 0.073 0.000 0.218 201 A C 2.205 179.821 177.584 0.053 0.000 1.175 201 A CA 1.727 53.804 52.037 0.067 0.000 0.628 201 A CB -0.673 18.371 19.000 0.073 0.000 0.814 201 A HN 0.132 nan 8.150 nan 0.000 0.444 202 V N -0.128 119.813 119.914 0.044 0.000 2.307 202 V HA -0.219 3.945 4.120 0.073 0.000 0.245 202 V C 3.049 179.107 176.094 -0.060 0.000 1.045 202 V CA 1.789 64.087 62.300 -0.003 0.000 1.024 202 V CB -1.442 30.393 31.823 0.020 0.000 0.651 202 V HN 0.596 nan 8.190 nan 0.000 0.449 203 A N 0.120 122.905 122.820 -0.058 0.000 1.892 203 A HA -0.296 4.068 4.320 0.073 0.000 0.218 203 A C 2.404 180.002 177.584 0.023 0.000 1.188 203 A CA 2.847 54.882 52.037 -0.004 0.000 0.631 203 A CB -1.205 17.879 19.000 0.141 0.000 0.822 203 A HN 0.509 nan 8.150 nan 0.000 0.447 204 T N -0.474 114.107 114.554 0.044 0.000 2.720 204 T HA -0.157 4.237 4.350 0.073 0.000 0.268 204 T C 2.055 176.755 174.700 0.001 0.000 1.037 204 T CA 1.495 63.615 62.100 0.033 0.000 1.144 204 T CB -0.262 68.633 68.868 0.045 0.000 0.864 204 T HN 0.488 nan 8.240 nan 0.000 0.444 205 R N 0.481 120.973 120.500 -0.014 0.000 2.081 205 R HA 0.012 4.396 4.340 0.073 0.000 0.235 205 R C 2.503 178.763 176.300 -0.067 0.000 1.131 205 R CA 1.046 57.124 56.100 -0.037 0.000 0.960 205 R CB -0.686 29.586 30.300 -0.047 0.000 0.856 205 R HN 0.389 nan 8.270 nan 0.000 0.436 206 L N 0.545 121.713 121.223 -0.090 0.000 2.046 206 L HA -0.226 4.158 4.340 0.073 0.000 0.208 206 L C 2.820 179.660 176.870 -0.049 0.000 1.077 206 L CA 1.444 56.229 54.840 -0.093 0.000 0.747 206 L CB -0.452 41.537 42.059 -0.117 0.000 0.896 206 L HN 0.272 nan 8.230 nan 0.000 0.432 207 Q N -0.146 119.638 119.800 -0.028 0.000 2.084 207 Q HA -0.182 4.202 4.340 0.073 0.000 0.202 207 Q C 2.251 178.248 176.000 -0.004 0.000 0.978 207 Q CA 1.496 57.294 55.803 -0.008 0.000 0.844 207 Q CB 0.050 28.793 28.738 0.008 0.000 0.898 207 Q HN 0.313 nan 8.270 nan 0.000 0.426 208 V N -0.157 119.751 119.914 -0.010 0.000 2.688 208 V HA -0.180 3.984 4.120 0.073 0.000 0.256 208 V C 1.730 177.817 176.094 -0.012 0.000 1.084 208 V CA 1.320 63.613 62.300 -0.011 0.000 1.103 208 V CB 0.192 32.006 31.823 -0.014 0.000 0.688 208 V HN 0.269 nan 8.190 nan 0.000 0.480 209 V N -1.470 118.435 119.914 -0.014 0.000 3.477 209 V HA 0.154 4.318 4.120 0.073 0.000 0.297 209 V C 1.019 177.118 176.094 0.009 0.000 1.433 209 V CA 0.460 62.752 62.300 -0.013 0.000 1.052 209 V CB 0.865 32.667 31.823 -0.035 0.000 0.895 209 V HN 0.525 nan 8.190 nan 0.000 0.438 210 T N 2.883 117.448 114.554 0.018 0.000 2.919 210 T HA 0.186 4.580 4.350 0.073 0.000 0.302 210 T C -1.840 172.898 174.700 0.062 0.000 1.031 210 T CA -0.793 61.336 62.100 0.047 0.000 1.127 210 T CB 1.273 70.169 68.868 0.048 0.000 0.952 210 T HN 0.227 nan 8.240 nan 0.000 0.540 211 P HA 0.277 nan 4.420 nan 0.000 0.231 211 P C 0.782 178.194 177.300 0.187 0.000 1.833 211 P CA -0.090 63.109 63.100 0.165 0.000 1.023 211 P CB -0.097 31.718 31.700 0.191 0.000 1.643 212 M N -1.333 118.335 119.600 0.113 0.000 2.374 212 M HA 0.001 4.525 4.480 0.073 0.000 0.264 212 M C 0.805 177.182 176.300 0.129 0.000 1.067 212 M CA 1.243 56.607 55.300 0.106 0.000 1.103 212 M CB -0.185 32.443 32.600 0.047 0.000 1.402 212 M HN -0.049 nan 8.290 nan 0.000 0.444 213 T N -0.053 114.555 114.554 0.091 0.000 2.945 213 T HA 0.235 4.629 4.350 0.073 0.000 0.286 213 T C -1.959 172.746 174.700 0.008 0.000 1.025 213 T CA -1.518 60.634 62.100 0.086 0.000 1.039 213 T CB 1.662 70.533 68.868 0.005 0.000 1.068 213 T HN -0.115 nan 8.240 nan 0.000 0.497 214 P HA 0.021 nan 4.420 nan 0.000 0.226 214 P C -0.002 177.260 177.300 -0.063 0.000 1.153 214 P CA 0.419 63.431 63.100 -0.147 0.000 0.777 214 P CB -0.020 31.515 31.700 -0.275 0.000 0.794 215 V N 0.521 120.391 119.914 -0.073 0.000 2.377 215 V HA 0.148 4.312 4.120 0.073 0.000 0.254 215 V C 1.573 177.646 176.094 -0.034 0.000 1.060 215 V CA 0.477 62.735 62.300 -0.070 0.000 1.068 215 V CB -0.547 31.216 31.823 -0.100 0.000 1.113 215 V HN 0.076 nan 8.190 nan 0.000 0.484 216 A N 4.550 127.372 122.820 0.002 0.000 2.251 216 A HA 0.227 4.591 4.320 0.073 0.000 0.209 216 A C 0.940 178.480 177.584 -0.072 0.000 1.187 216 A CA -0.048 52.049 52.037 0.100 0.000 0.823 216 A CB -0.062 19.161 19.000 0.373 0.000 0.846 216 A HN 0.593 nan 8.150 nan 0.000 0.486 217 V N 0.526 120.189 119.914 -0.417 0.000 2.625 217 V HA 0.274 4.438 4.120 0.073 0.000 0.305 217 V C 1.684 177.696 176.094 -0.137 0.000 1.055 217 V CA 1.363 63.283 62.300 -0.633 0.000 1.209 217 V CB -0.635 30.883 31.823 -0.508 0.000 0.877 217 V HN 1.184 nan 8.190 nan 0.000 0.489 218 G N 3.981 112.816 108.800 0.058 0.000 2.162 218 G HA2 -0.283 3.721 3.960 0.073 0.000 0.260 218 G HA3 -0.283 3.721 3.960 0.073 0.000 0.260 218 G C 0.234 175.213 174.900 0.132 0.000 0.976 218 G CA 0.195 45.369 45.100 0.124 0.000 0.655 218 G HN 0.842 nan 8.290 nan 0.000 0.533 219 I N 0.941 121.627 120.570 0.194 0.000 2.752 219 I HA 0.057 4.271 4.170 0.073 0.000 0.289 219 I C 0.496 176.693 176.117 0.133 0.000 1.197 219 I CA -0.268 61.134 61.300 0.170 0.000 1.432 219 I CB 0.345 38.490 38.000 0.242 0.000 1.359 219 I HN 0.182 nan 8.210 nan 0.000 0.571 220 N N 8.433 127.172 118.700 0.066 0.000 2.482 220 N HA 0.069 4.853 4.740 0.073 0.000 0.242 220 N C 0.534 176.073 175.510 0.049 0.000 1.100 220 N CA -0.307 52.761 53.050 0.029 0.000 0.946 220 N CB 0.823 39.292 38.487 -0.030 0.000 1.227 220 N HN 0.578 nan 8.380 nan 0.000 0.508 221 M N 0.745 120.402 119.600 0.095 0.000 2.539 221 M HA -0.047 4.477 4.480 0.073 0.000 0.261 221 M C -0.211 176.201 176.300 0.187 0.000 1.069 221 M CA 0.907 56.285 55.300 0.129 0.000 1.081 221 M CB -0.265 32.419 32.600 0.140 0.000 1.412 221 M HN 0.403 nan 8.290 nan 0.000 0.482 222 D N 1.235 121.745 120.400 0.184 0.000 3.179 222 D HA 0.209 4.893 4.640 0.073 0.000 0.267 222 D C 0.199 176.506 176.300 0.011 0.000 1.348 222 D CA 0.099 54.282 54.000 0.304 0.000 0.897 222 D CB 0.289 41.239 40.800 0.249 0.000 1.062 222 D HN 0.247 nan 8.370 nan 0.000 0.494 223 S N -2.294 113.250 115.700 -0.260 0.000 2.688 223 S HA 0.177 4.691 4.470 0.073 0.000 0.275 223 S C 0.722 174.896 174.600 -0.709 0.000 1.175 223 S CA -0.656 57.087 58.200 -0.761 0.000 0.818 223 S CB 1.797 64.784 63.200 -0.354 0.000 1.157 223 S HN -0.124 nan 8.310 nan 0.000 0.482 224 V N 1.698 121.250 119.914 -0.604 0.000 2.546 224 V HA -0.223 3.941 4.120 0.073 0.000 0.254 224 V C 2.461 178.494 176.094 -0.102 0.000 1.076 224 V CA 2.618 64.766 62.300 -0.252 0.000 1.087 224 V CB -1.195 30.529 31.823 -0.165 0.000 0.674 224 V HN 0.847 nan 8.190 nan 0.000 0.470 225 Q N -1.076 118.665 119.800 -0.099 0.000 2.181 225 Q HA -0.257 4.127 4.340 0.073 0.000 0.205 225 Q C 2.246 178.252 176.000 0.010 0.000 0.980 225 Q CA 1.893 57.682 55.803 -0.023 0.000 0.862 225 Q CB -0.356 28.379 28.738 -0.005 0.000 0.905 225 Q HN 0.593 nan 8.270 nan 0.000 0.429 226 M N 0.929 120.533 119.600 0.007 0.000 2.175 226 M HA -0.167 4.357 4.480 0.073 0.000 0.264 226 M C 1.552 177.872 176.300 0.033 0.000 1.063 226 M CA 1.777 57.090 55.300 0.021 0.000 1.119 226 M CB -0.206 32.390 32.600 -0.006 0.000 1.377 226 M HN 0.178 nan 8.290 nan 0.000 0.415 227 Q N -0.514 119.320 119.800 0.056 0.000 2.123 227 Q HA -0.091 4.293 4.340 0.073 0.000 0.199 227 Q C 2.072 178.119 176.000 0.078 0.000 0.966 227 Q CA 1.541 57.395 55.803 0.085 0.000 0.845 227 Q CB -0.229 28.581 28.738 0.119 0.000 0.907 227 Q HN 0.404 nan 8.270 nan 0.000 0.439 228 V N 1.301 121.248 119.914 0.055 0.000 2.324 228 V HA -0.343 3.821 4.120 0.073 0.000 0.250 228 V C 2.260 178.389 176.094 0.059 0.000 1.060 228 V CA 2.063 64.397 62.300 0.056 0.000 1.042 228 V CB -0.571 31.279 31.823 0.046 0.000 0.650 228 V HN 0.473 nan 8.190 nan 0.000 0.450 229 M N 0.421 120.035 119.600 0.023 0.000 2.086 229 M HA -0.230 4.294 4.480 0.073 0.000 0.261 229 M C 2.160 178.456 176.300 -0.006 0.000 1.067 229 M CA 2.578 57.814 55.300 -0.107 0.000 1.116 229 M CB -0.422 32.056 32.600 -0.204 0.000 1.348 229 M HN 0.468 nan 8.290 nan 0.000 0.407 230 N N 0.612 119.417 118.700 0.175 0.000 2.069 230 N HA -0.219 4.565 4.740 0.073 0.000 0.191 230 N C 1.137 176.716 175.510 0.114 0.000 1.031 230 N CA 2.280 55.464 53.050 0.224 0.000 0.852 230 N CB -0.232 38.452 38.487 0.328 0.000 1.018 230 N HN 0.361 nan 8.380 nan 0.000 0.423 231 D N -0.878 119.581 120.400 0.098 0.000 2.117 231 D HA -0.129 4.555 4.640 0.073 0.000 0.197 231 D C 1.971 178.318 176.300 0.078 0.000 0.987 231 D CA 1.375 55.423 54.000 0.079 0.000 0.829 231 D CB -0.662 40.180 40.800 0.071 0.000 0.961 231 D HN 0.447 nan 8.370 nan 0.000 0.460 232 S N -0.069 115.690 115.700 0.097 0.000 2.469 232 S HA -0.092 4.422 4.470 0.073 0.000 0.238 232 S C 1.978 176.648 174.600 0.116 0.000 0.998 232 S CA 0.488 58.765 58.200 0.128 0.000 0.957 232 S CB -0.482 62.846 63.200 0.214 0.000 0.764 232 S HN 0.281 nan 8.310 nan 0.000 0.514 233 L N -0.153 121.118 121.223 0.080 0.000 2.313 233 L HA 0.211 4.595 4.340 0.073 0.000 0.214 233 L C 1.276 178.163 176.870 0.030 0.000 1.119 233 L CA 0.245 55.112 54.840 0.045 0.000 0.809 233 L CB -0.437 41.614 42.059 -0.014 0.000 0.933 233 L HN 0.189 nan 8.230 nan 0.000 0.449 234 K N 0.925 121.347 120.400 0.036 0.000 2.382 234 K HA 0.301 4.665 4.320 0.073 0.000 0.275 234 K C 0.851 177.466 176.600 0.025 0.000 1.009 234 K CA 1.045 57.347 56.287 0.025 0.000 0.970 234 K CB 0.758 33.277 32.500 0.031 0.000 0.934 234 K HN 0.183 nan 8.250 nan 0.000 0.479 235 G N 2.087 110.896 108.800 0.014 0.000 2.490 235 G HA2 -0.214 3.790 3.960 0.073 0.000 0.214 235 G HA3 -0.214 3.790 3.960 0.073 0.000 0.214 235 G C 0.558 175.464 174.900 0.010 0.000 1.151 235 G CA -0.011 45.098 45.100 0.015 0.000 0.684 235 G HN 1.012 nan 8.290 nan 0.000 0.518 236 G N -0.387 108.421 108.800 0.013 0.000 2.588 236 G HA2 0.576 4.580 3.960 0.073 0.000 0.281 236 G HA3 0.576 4.580 3.960 0.073 0.000 0.281 236 G C -0.125 174.762 174.900 -0.021 0.000 1.236 236 G CA 0.334 45.441 45.100 0.012 0.000 0.969 236 G HN 1.059 nan 8.290 nan 0.000 0.504 237 V N 0.648 120.547 119.914 -0.024 0.000 2.383 237 V HA 0.242 4.406 4.120 0.073 0.000 0.275 237 V C -0.168 175.816 176.094 -0.184 0.000 1.036 237 V CA -0.624 61.607 62.300 -0.114 0.000 0.889 237 V CB 1.142 32.916 31.823 -0.082 0.000 0.985 237 V HN 0.510 nan 8.190 nan 0.000 0.459 238 L N 7.293 128.340 121.223 -0.293 0.000 2.261 238 L HA 0.463 4.847 4.340 0.073 0.000 0.289 238 L C -0.948 175.654 176.870 -0.448 0.000 1.059 238 L CA 0.079 54.771 54.840 -0.246 0.000 0.816 238 L CB 0.103 42.055 42.059 -0.179 0.000 1.191 238 L HN 0.524 nan 8.230 nan 0.000 0.431 239 Y N 3.844 124.069 120.300 -0.124 0.000 2.334 239 Y HA 0.403 4.997 4.550 0.073 0.000 0.336 239 Y C 0.079 175.900 175.900 -0.132 0.000 0.960 239 Y CA -0.501 57.525 58.100 -0.124 0.000 1.164 239 Y CB 1.355 39.720 38.460 -0.158 0.000 1.155 239 Y HN 0.435 nan 8.280 nan 0.000 0.478 240 C N 6.297 125.598 119.300 0.002 0.000 2.250 240 C HA 0.527 5.031 4.460 0.073 0.000 0.319 240 C C -0.024 174.954 174.990 -0.020 0.000 1.124 240 C CA -1.179 57.813 59.018 -0.043 0.000 1.527 240 C CB -1.495 26.222 27.740 -0.038 0.000 2.001 240 C HN 0.652 nan 8.230 nan 0.000 0.435 241 L N 2.088 123.271 121.223 -0.066 0.000 2.360 241 L HA 0.608 4.992 4.340 0.073 0.000 0.271 241 L C -0.320 176.525 176.870 -0.042 0.000 1.057 241 L CA -0.173 54.623 54.840 -0.073 0.000 0.803 241 L CB 0.896 42.858 42.059 -0.161 0.000 1.207 241 L HN 0.391 nan 8.230 nan 0.000 0.445 242 D N 0.596 120.956 120.400 -0.066 0.000 2.278 242 D HA 0.369 5.053 4.640 0.073 0.000 0.245 242 D C -0.905 175.359 176.300 -0.059 0.000 1.052 242 D CA -0.125 53.877 54.000 0.005 0.000 0.834 242 D CB 1.494 42.306 40.800 0.020 0.000 1.194 242 D HN 0.207 nan 8.370 nan 0.000 0.481 243 Y N 0.425 120.781 120.300 0.094 0.000 2.310 243 Y HA 0.270 4.864 4.550 0.073 0.000 0.326 243 Y C 1.090 177.075 175.900 0.142 0.000 1.151 243 Y CA -0.365 57.832 58.100 0.160 0.000 1.195 243 Y CB 1.224 39.894 38.460 0.349 0.000 1.210 243 Y HN 0.096 nan 8.280 nan 0.000 0.483 244 S N 2.689 118.527 115.700 0.230 0.000 2.525 244 S HA 0.228 4.742 4.470 0.073 0.000 0.278 244 S C -0.259 174.435 174.600 0.157 0.000 1.234 244 S CA -1.063 57.228 58.200 0.151 0.000 1.058 244 S CB 0.592 63.834 63.200 0.069 0.000 0.983 244 S HN 0.649 nan 8.310 nan 0.000 0.495 245 K N 1.275 121.753 120.400 0.130 0.000 3.148 245 K HA -0.186 4.178 4.320 0.073 0.000 0.267 245 K C 0.584 177.242 176.600 0.096 0.000 0.996 245 K CA 0.373 56.710 56.287 0.083 0.000 0.737 245 K CB -0.927 31.576 32.500 0.004 0.000 1.308 245 K HN 0.848 nan 8.250 nan 0.000 0.470 246 W N 1.423 122.731 121.300 0.013 0.000 2.338 246 W HA -0.238 4.465 4.660 0.072 0.000 0.304 246 W C 1.129 177.624 176.519 -0.040 0.000 1.212 246 W CA 2.064 59.397 57.345 -0.019 0.000 1.264 246 W CB -0.026 29.435 29.460 0.001 0.000 1.142 246 W HN 0.328 nan 8.180 nan 0.000 0.512 247 D N 0.079 120.530 120.400 0.086 0.000 2.103 247 D HA -0.173 4.511 4.640 0.073 0.000 0.199 247 D C 2.375 178.578 176.300 -0.162 0.000 0.978 247 D CA 2.314 56.333 54.000 0.032 0.000 0.829 247 D CB -0.736 40.194 40.800 0.218 0.000 0.981 247 D HN 0.212 nan 8.370 nan 0.000 0.464 248 S N 0.237 115.749 115.700 -0.314 0.000 2.474 248 S HA -0.108 4.406 4.470 0.073 0.000 0.235 248 S C 1.816 176.156 174.600 -0.432 0.000 0.997 248 S CA 1.432 59.202 58.200 -0.716 0.000 0.949 248 S CB -0.629 62.114 63.200 -0.761 0.000 0.766 248 S HN 0.306 nan 8.310 nan 0.000 0.517 249 T N -1.977 112.365 114.554 -0.354 0.000 3.086 249 T HA 0.212 4.606 4.350 0.073 0.000 0.250 249 T C 0.361 174.836 174.700 -0.376 0.000 1.074 249 T CA -0.418 61.481 62.100 -0.334 0.000 0.988 249 T CB -0.147 68.531 68.868 -0.316 0.000 0.988 249 T HN 0.127 nan 8.240 nan 0.000 0.530 250 Q N 3.107 122.674 119.800 -0.388 0.000 2.286 250 Q HA 0.219 4.603 4.340 0.073 0.000 0.267 250 Q C -0.138 175.793 176.000 -0.116 0.000 1.028 250 Q CA 0.042 55.680 55.803 -0.276 0.000 0.901 250 Q CB 0.447 29.036 28.738 -0.248 0.000 1.183 250 Q HN 0.462 nan 8.270 nan 0.000 0.392 251 N N 4.308 122.994 118.700 -0.023 0.000 2.499 251 N HA 0.135 4.918 4.740 0.073 0.000 0.281 251 N C -1.857 173.616 175.510 -0.061 0.000 1.098 251 N CA -1.619 51.412 53.050 -0.032 0.000 0.979 251 N CB 1.352 39.838 38.487 -0.000 0.000 1.121 251 N HN 0.159 nan 8.380 nan 0.000 0.466 252 P HA 0.001 nan 4.420 nan 0.000 0.222 252 P C 0.792 178.055 177.300 -0.061 0.000 1.153 252 P CA 0.685 63.756 63.100 -0.048 0.000 0.798 252 P CB 0.165 31.846 31.700 -0.032 0.000 0.796 253 A N 0.109 122.884 122.820 -0.074 0.000 1.930 253 A HA -0.091 4.273 4.320 0.073 0.000 0.217 253 A C 2.381 179.887 177.584 -0.129 0.000 1.175 253 A CA 1.539 53.522 52.037 -0.090 0.000 0.627 253 A CB -1.589 17.357 19.000 -0.089 0.000 0.815 253 A HN 0.032 nan 8.150 nan 0.000 0.443 254 V N -0.275 119.529 119.914 -0.183 0.000 2.307 254 V HA -0.220 3.944 4.120 0.073 0.000 0.245 254 V C 2.736 178.723 176.094 -0.178 0.000 1.045 254 V CA 2.453 64.591 62.300 -0.270 0.000 1.024 254 V CB -1.350 30.171 31.823 -0.504 0.000 0.651 254 V HN 0.590 nan 8.190 nan 0.000 0.449 255 T N 0.673 115.155 114.554 -0.120 0.000 2.699 255 T HA -0.234 4.160 4.350 0.073 0.000 0.268 255 T C 2.049 176.716 174.700 -0.056 0.000 1.036 255 T CA 1.812 63.873 62.100 -0.066 0.000 1.147 255 T CB -0.495 68.350 68.868 -0.038 0.000 0.862 255 T HN 0.580 nan 8.240 nan 0.000 0.446 256 A N 1.321 124.107 122.820 -0.056 0.000 1.933 256 A HA 0.162 4.526 4.320 0.073 0.000 0.218 256 A C 2.648 180.202 177.584 -0.051 0.000 1.175 256 A CA 1.819 53.831 52.037 -0.042 0.000 0.628 256 A CB -1.059 17.919 19.000 -0.037 0.000 0.814 256 A HN 0.521 nan 8.150 nan 0.000 0.444 257 A N -0.469 122.307 122.820 -0.073 0.000 1.877 257 A HA -0.082 4.282 4.320 0.073 0.000 0.216 257 A C 2.441 179.986 177.584 -0.065 0.000 1.186 257 A CA 2.068 54.061 52.037 -0.073 0.000 0.620 257 A CB -0.940 18.000 19.000 -0.099 0.000 0.822 257 A HN 0.452 nan 8.150 nan 0.000 0.443 258 S N -0.090 115.565 115.700 -0.075 0.000 2.370 258 S HA -0.131 4.383 4.470 0.073 0.000 0.226 258 S C 1.804 176.345 174.600 -0.099 0.000 1.033 258 S CA 1.571 59.729 58.200 -0.071 0.000 1.011 258 S CB -0.468 62.697 63.200 -0.058 0.000 0.852 258 S HN 0.502 nan 8.310 nan 0.000 0.457 259 L N 0.916 122.081 121.223 -0.097 0.000 2.093 259 L HA -0.080 4.304 4.340 0.073 0.000 0.208 259 L C 2.741 179.568 176.870 -0.073 0.000 1.085 259 L CA 1.049 55.812 54.840 -0.128 0.000 0.755 259 L CB -0.628 41.405 42.059 -0.044 0.000 0.904 259 L HN 0.320 nan 8.230 nan 0.000 0.435 260 A N 0.276 123.074 122.820 -0.037 0.000 1.933 260 A HA -0.171 4.193 4.320 0.073 0.000 0.218 260 A C 2.207 179.775 177.584 -0.026 0.000 1.175 260 A CA 1.407 53.431 52.037 -0.022 0.000 0.628 260 A CB -0.613 18.371 19.000 -0.027 0.000 0.814 260 A HN 0.349 nan 8.150 nan 0.000 0.444 261 I N -0.442 120.118 120.570 -0.017 0.000 2.226 261 I HA -0.267 3.947 4.170 0.073 0.000 0.245 261 I C 2.387 178.583 176.117 0.131 0.000 1.100 261 I CA 1.115 62.443 61.300 0.047 0.000 1.374 261 I CB -0.289 37.752 38.000 0.069 0.000 1.057 261 I HN 0.298 nan 8.210 nan 0.000 0.413 262 L N 0.375 121.600 121.223 0.003 0.000 2.046 262 L HA -0.239 4.145 4.340 0.073 0.000 0.208 262 L C 2.659 179.591 176.870 0.104 0.000 1.077 262 L CA 1.630 56.441 54.840 -0.048 0.000 0.747 262 L CB -0.621 41.102 42.059 -0.560 0.000 0.896 262 L HN 0.356 nan 8.230 nan 0.000 0.432 263 E N 0.321 120.579 120.200 0.097 0.000 2.153 263 E HA -0.276 4.118 4.350 0.073 0.000 0.194 263 E C 2.342 178.960 176.600 0.031 0.000 0.988 263 E CA 0.733 57.235 56.400 0.171 0.000 0.811 263 E CB -0.060 29.722 29.700 0.137 0.000 0.746 263 E HN 0.237 nan 8.360 nan 0.000 0.466 264 R N 0.014 120.456 120.500 -0.098 0.000 2.127 264 R HA -0.147 4.237 4.340 0.073 0.000 0.238 264 R C 1.214 177.215 176.300 -0.498 0.000 1.134 264 R CA 1.297 57.187 56.100 -0.351 0.000 0.975 264 R CB -0.290 29.674 30.300 -0.561 0.000 0.865 264 R HN 0.274 nan 8.270 nan 0.000 0.447 265 F N -0.465 119.479 119.950 -0.009 0.000 2.727 265 F HA 0.345 4.916 4.527 0.073 0.000 0.302 265 F C 0.938 176.728 175.800 -0.017 0.000 1.097 265 F CA 0.032 58.023 58.000 -0.015 0.000 1.330 265 F CB 0.211 39.204 39.000 -0.012 0.000 1.084 265 F HN -0.062 nan 8.300 nan 0.000 0.578 266 A N 0.517 123.402 122.820 0.108 0.000 2.311 266 A HA 0.469 4.833 4.320 0.073 0.000 0.334 266 A C -0.052 177.520 177.584 -0.020 0.000 1.139 266 A CA -0.704 51.364 52.037 0.053 0.000 0.830 266 A CB 0.351 19.411 19.000 0.099 0.000 1.234 266 A HN 0.328 nan 8.150 nan 0.000 0.483 267 E N 1.955 122.128 120.200 -0.045 0.000 2.465 267 E HA 0.211 4.605 4.350 0.073 0.000 0.260 267 E C -2.250 174.350 176.600 0.000 0.000 0.980 267 E CA -1.158 55.219 56.400 -0.038 0.000 0.927 267 E CB 0.033 29.711 29.700 -0.036 0.000 0.934 267 E HN 0.280 nan 8.360 nan 0.000 0.459 268 P HA 0.049 nan 4.420 nan 0.000 0.267 268 P C -1.056 176.289 177.300 0.075 0.000 1.205 268 P CA 0.427 63.537 63.100 0.017 0.000 0.765 268 P CB 0.504 32.197 31.700 -0.011 0.000 0.828 269 H N 3.683 122.707 119.070 -0.076 0.000 3.112 269 H HA 0.135 4.735 4.556 0.073 0.000 0.347 269 H C -2.113 173.147 175.328 -0.113 0.000 1.188 269 H CA -1.423 54.571 56.048 -0.090 0.000 1.240 269 H CB 2.477 32.179 29.762 -0.100 0.000 1.920 269 H HN 0.113 nan 8.280 nan 0.000 0.535 270 P HA -0.100 nan 4.420 nan 0.000 0.217 270 P C 1.673 178.903 177.300 -0.116 0.000 1.148 270 P CA 0.936 63.902 63.100 -0.224 0.000 0.828 270 P CB 0.540 32.054 31.700 -0.310 0.000 0.783 271 I N -0.612 119.986 120.570 0.047 0.000 2.264 271 I HA -0.155 4.059 4.170 0.073 0.000 0.248 271 I C 2.042 178.069 176.117 -0.150 0.000 1.111 271 I CA 1.178 62.432 61.300 -0.075 0.000 1.382 271 I CB -0.498 37.418 38.000 -0.140 0.000 1.060 271 I HN -0.194 nan 8.210 nan 0.000 0.418 272 V N -0.243 119.600 119.914 -0.119 0.000 3.623 272 V HA -0.086 4.078 4.120 0.073 0.000 0.274 272 V C 1.567 177.553 176.094 -0.180 0.000 1.244 272 V CA 1.533 63.678 62.300 -0.259 0.000 1.182 272 V CB -0.155 31.576 31.823 -0.154 0.000 0.925 272 V HN 0.518 nan 8.190 nan 0.000 0.462 273 S N -3.194 112.441 115.700 -0.107 0.000 2.221 273 S HA -0.071 4.443 4.470 0.073 0.000 0.264 273 S C 1.667 176.243 174.600 -0.041 0.000 0.971 273 S CA 0.693 58.868 58.200 -0.042 0.000 1.397 273 S CB -0.322 62.852 63.200 -0.043 0.000 1.050 273 S HN 0.442 nan 8.310 nan 0.000 0.507 274 C N 2.849 122.108 119.300 -0.068 0.000 2.376 274 C HA -0.009 4.495 4.460 0.073 0.000 0.275 274 C C 3.061 178.035 174.990 -0.027 0.000 1.200 274 C CA 1.671 60.654 59.018 -0.057 0.000 1.756 274 C CB -1.583 26.104 27.740 -0.090 0.000 2.050 274 C HN 0.786 nan 8.230 nan 0.000 0.460 275 A N -0.106 122.681 122.820 -0.055 0.000 1.898 275 A HA -0.073 4.291 4.320 0.073 0.000 0.216 275 A C 1.994 179.653 177.584 0.124 0.000 1.181 275 A CA 1.547 53.581 52.037 -0.006 0.000 0.620 275 A CB -0.564 18.336 19.000 -0.167 0.000 0.819 275 A HN 0.599 nan 8.150 nan 0.000 0.442 276 I N -0.437 120.218 120.570 0.141 0.000 2.179 276 I HA -0.277 3.937 4.170 0.073 0.000 0.242 276 I C 2.532 178.704 176.117 0.092 0.000 1.088 276 I CA 1.853 63.254 61.300 0.167 0.000 1.357 276 I CB -0.282 37.809 38.000 0.152 0.000 1.051 276 I HN 0.571 nan 8.210 nan 0.000 0.409 277 E N 1.334 121.566 120.200 0.054 0.000 2.038 277 E HA -0.285 4.109 4.350 0.073 0.000 0.195 277 E C 2.263 178.891 176.600 0.048 0.000 1.000 277 E CA 1.612 58.033 56.400 0.035 0.000 0.803 277 E CB -0.132 29.575 29.700 0.012 0.000 0.750 277 E HN 0.457 nan 8.360 nan 0.000 0.448 278 A N 0.982 123.835 122.820 0.056 0.000 1.883 278 A HA -0.177 4.187 4.320 0.073 0.000 0.217 278 A C 2.255 179.898 177.584 0.097 0.000 1.186 278 A CA 1.596 53.677 52.037 0.073 0.000 0.624 278 A CB -0.688 18.356 19.000 0.073 0.000 0.822 278 A HN 0.385 nan 8.150 nan 0.000 0.444 279 L N 0.040 121.333 121.223 0.115 0.000 2.341 279 L HA -0.049 4.335 4.340 0.073 0.000 0.214 279 L C 2.591 179.514 176.870 0.087 0.000 1.115 279 L CA 1.216 56.134 54.840 0.131 0.000 0.820 279 L CB -0.204 41.960 42.059 0.176 0.000 0.944 279 L HN 0.603 nan 8.230 nan 0.000 0.452 280 S N -1.468 114.273 115.700 0.068 0.000 2.528 280 S HA -0.004 4.510 4.470 0.073 0.000 0.219 280 S C 1.122 175.739 174.600 0.029 0.000 0.985 280 S CA -0.043 58.180 58.200 0.037 0.000 0.914 280 S CB -0.236 62.980 63.200 0.027 0.000 0.776 280 S HN 0.382 nan 8.310 nan 0.000 0.526 281 S N 2.842 118.567 115.700 0.042 0.000 2.593 281 S HA 0.409 4.923 4.470 0.073 0.000 0.269 281 S C -2.741 171.882 174.600 0.039 0.000 1.334 281 S CA -1.148 57.075 58.200 0.037 0.000 1.015 281 S CB -0.046 63.182 63.200 0.046 0.000 0.912 281 S HN 0.186 nan 8.310 nan 0.000 0.541 282 P HA 0.268 nan 4.420 nan 0.000 0.275 282 P C -0.637 176.688 177.300 0.042 0.000 1.227 282 P CA -0.249 62.855 63.100 0.006 0.000 0.781 282 P CB 0.372 32.055 31.700 -0.028 0.000 0.906 283 A N 3.498 126.326 122.820 0.013 0.000 2.488 283 A HA 0.109 4.473 4.320 0.073 0.000 0.249 283 A C 0.265 177.952 177.584 0.171 0.000 1.083 283 A CA -0.028 52.059 52.037 0.085 0.000 0.768 283 A CB -0.360 18.479 19.000 -0.268 0.000 1.017 283 A HN 0.524 nan 8.150 nan 0.000 0.496 284 E N 2.112 122.527 120.200 0.359 0.000 2.114 284 E HA 0.449 4.843 4.350 0.073 0.000 0.266 284 E C 0.100 177.002 176.600 0.502 0.000 0.896 284 E CA -0.410 56.174 56.400 0.306 0.000 0.750 284 E CB 1.709 31.559 29.700 0.251 0.000 1.121 284 E HN 0.719 nan 8.360 nan 0.000 0.413 285 G N 2.768 111.797 108.800 0.381 0.000 2.322 285 G HA2 0.319 4.323 3.960 0.073 0.000 0.309 285 G HA3 0.319 4.323 3.960 0.073 0.000 0.309 285 G C -1.016 173.960 174.900 0.127 0.000 1.121 285 G CA -0.306 44.980 45.100 0.310 0.000 0.886 285 G HN 0.332 nan 8.290 nan 0.000 0.447 286 Y N 1.485 121.789 120.300 0.007 0.000 2.326 286 Y HA 0.470 5.063 4.550 0.072 0.000 0.337 286 Y C 0.412 176.257 175.900 -0.091 0.000 1.023 286 Y CA -0.741 57.335 58.100 -0.041 0.000 1.143 286 Y CB 1.975 40.405 38.460 -0.049 0.000 1.183 286 Y HN 0.432 nan 8.280 nan 0.000 0.485 287 V N 2.046 121.941 119.914 -0.032 0.000 2.789 287 V HA 0.485 4.649 4.120 0.073 0.000 0.311 287 V C 0.052 176.099 176.094 -0.078 0.000 1.073 287 V CA -1.531 60.732 62.300 -0.061 0.000 0.921 287 V CB 1.535 33.284 31.823 -0.124 0.000 1.009 287 V HN 0.935 nan 8.190 nan 0.000 0.426 288 N N 3.161 121.849 118.700 -0.020 0.000 1.276 288 N HA -0.277 4.507 4.740 0.073 0.000 0.137 288 N C 0.832 176.345 175.510 0.005 0.000 0.642 288 N CA 2.245 55.291 53.050 -0.006 0.000 0.986 288 N CB -0.737 37.738 38.487 -0.020 0.000 1.277 288 N HN 1.183 nan 8.380 nan 0.000 0.495 289 D N 1.773 122.159 120.400 -0.023 0.000 2.363 289 D HA 0.164 4.848 4.640 0.073 0.000 0.214 289 D C 0.878 177.152 176.300 -0.042 0.000 1.093 289 D CA -0.057 53.944 54.000 0.002 0.000 0.837 289 D CB -0.346 40.467 40.800 0.023 0.000 0.948 289 D HN 0.682 nan 8.370 nan 0.000 0.507 290 I N -1.956 118.522 120.570 -0.154 0.000 2.822 290 I HA 0.581 4.795 4.170 0.073 0.000 0.312 290 I C -0.546 175.382 176.117 -0.314 0.000 1.011 290 I CA -1.242 59.908 61.300 -0.249 0.000 1.105 290 I CB 2.067 39.791 38.000 -0.459 0.000 1.291 290 I HN -0.237 nan 8.210 nan 0.000 0.474 291 K N 2.461 122.651 120.400 -0.351 0.000 2.426 291 K HA 0.547 4.911 4.320 0.073 0.000 0.251 291 K C -1.855 174.627 176.600 -0.197 0.000 0.941 291 K CA -0.610 55.436 56.287 -0.402 0.000 0.808 291 K CB 2.531 34.576 32.500 -0.759 0.000 1.265 291 K HN 0.627 nan 8.250 nan 0.000 0.432 292 F N 2.360 122.168 119.950 -0.236 0.000 2.427 292 F HA 0.427 4.999 4.527 0.075 0.000 0.346 292 F C -1.301 174.484 175.800 -0.026 0.000 1.120 292 F CA -0.878 57.050 58.000 -0.120 0.000 1.033 292 F CB 1.551 40.508 39.000 -0.073 0.000 1.126 292 F HN 0.269 nan 8.300 nan 0.000 0.462 293 V N 5.468 124.942 119.914 -0.732 0.000 2.370 293 V HA 0.273 4.437 4.120 0.073 0.000 0.283 293 V C 0.229 175.791 176.094 -0.886 0.000 1.023 293 V CA -0.644 61.309 62.300 -0.577 0.000 0.857 293 V CB 1.218 32.876 31.823 -0.275 0.000 0.985 293 V HN 0.923 nan 8.190 nan 0.000 0.443 294 T N 2.791 116.996 114.554 -0.580 0.000 2.906 294 T HA 0.174 4.568 4.350 0.073 0.000 0.320 294 T C 0.668 175.291 174.700 -0.128 0.000 1.088 294 T CA -0.074 61.861 62.100 -0.275 0.000 1.120 294 T CB 0.790 69.675 68.868 0.029 0.000 1.000 294 T HN 0.580 nan 8.240 nan 0.000 0.550 295 R N 0.527 121.027 120.500 0.000 0.000 2.437 295 R HA 0.516 4.900 4.340 0.073 0.000 0.257 295 R C 0.820 177.136 176.300 0.027 0.000 0.927 295 R CA 0.331 56.435 56.100 0.008 0.000 1.078 295 R CB 1.075 31.393 30.300 0.029 0.000 1.161 295 R HN 1.070 nan 8.270 nan 0.000 0.529 296 G N -1.847 106.989 108.800 0.060 0.000 2.338 296 G HA2 0.429 4.433 3.960 0.073 0.000 0.295 296 G HA3 0.429 4.433 3.960 0.073 0.000 0.295 296 G C -0.488 174.450 174.900 0.064 0.000 1.461 296 G CA -0.227 44.889 45.100 0.027 0.000 0.817 296 G HN 0.352 nan 8.290 nan 0.000 0.556 297 G N -1.593 107.187 108.800 -0.034 0.000 2.796 297 G HA2 0.291 4.295 3.960 0.073 0.000 0.226 297 G HA3 0.291 4.295 3.960 0.073 0.000 0.226 297 G C -1.126 173.809 174.900 0.057 0.000 1.381 297 G CA 0.104 45.177 45.100 -0.045 0.000 0.867 297 G HN 1.676 nan 8.290 nan 0.000 0.552 298 L N 1.685 122.949 121.223 0.068 0.000 2.401 298 L HA 0.690 5.074 4.340 0.073 0.000 0.266 298 L C -1.898 174.826 176.870 -0.245 0.000 0.991 298 L CA -2.052 52.741 54.840 -0.079 0.000 0.818 298 L CB 2.111 44.139 42.059 -0.052 0.000 1.321 298 L HN 0.536 nan 8.230 nan 0.000 0.413 299 P HA 0.137 nan 4.420 nan 0.000 0.276 299 P C 0.346 177.229 177.300 -0.695 0.000 1.235 299 P CA -0.228 61.973 63.100 -1.497 0.000 0.772 299 P CB 0.834 31.214 31.700 -2.199 0.000 0.871 300 S N 1.797 117.237 115.700 -0.434 0.000 2.507 300 S HA -0.047 4.467 4.470 0.073 0.000 0.235 300 S C 1.665 176.277 174.600 0.020 0.000 0.988 300 S CA 0.978 59.156 58.200 -0.036 0.000 0.944 300 S CB -1.014 62.267 63.200 0.136 0.000 0.762 300 S HN 0.596 nan 8.310 nan 0.000 0.526 301 G N 1.750 110.547 108.800 -0.005 0.000 3.434 301 G HA2 0.417 4.421 3.960 0.073 0.000 0.258 301 G HA3 0.417 4.421 3.960 0.073 0.000 0.258 301 G C 0.356 175.389 174.900 0.222 0.000 1.128 301 G CA -0.606 44.585 45.100 0.151 0.000 0.792 301 G HN 0.673 nan 8.290 nan 0.000 0.539 302 M N 0.107 119.773 119.600 0.110 0.000 2.250 302 M HA 0.384 4.908 4.480 0.073 0.000 0.325 302 M C -2.618 173.785 176.300 0.172 0.000 1.084 302 M CA -1.357 54.079 55.300 0.227 0.000 1.161 302 M CB -0.141 32.545 32.600 0.144 0.000 1.481 302 M HN -0.262 nan 8.290 nan 0.000 0.449 303 P HA 0.115 nan 4.420 nan 0.000 0.267 303 P C -0.836 176.589 177.300 0.209 0.000 1.205 303 P CA 0.227 63.386 63.100 0.099 0.000 0.765 303 P CB -0.071 31.750 31.700 0.203 0.000 0.828 304 F N -0.283 119.726 119.950 0.098 0.000 3.018 304 F HA -0.269 4.302 4.527 0.074 0.000 0.287 304 F C 1.892 177.728 175.800 0.059 0.000 0.813 304 F CA 1.245 59.287 58.000 0.070 0.000 1.209 304 F CB -2.868 36.172 39.000 0.067 0.000 1.321 304 F HN 0.308 nan 8.300 nan 0.000 0.477 305 T N -1.124 113.512 114.554 0.137 0.000 2.624 305 T HA -0.292 4.102 4.350 0.073 0.000 0.268 305 T C 2.028 176.815 174.700 0.145 0.000 1.041 305 T CA 2.526 64.707 62.100 0.135 0.000 1.159 305 T CB -0.151 68.781 68.868 0.106 0.000 0.863 305 T HN 0.498 nan 8.240 nan 0.000 0.434 306 S N 0.211 115.985 115.700 0.123 0.000 2.368 306 S HA -0.065 4.449 4.470 0.073 0.000 0.225 306 S C 2.150 176.767 174.600 0.028 0.000 1.030 306 S CA 1.323 59.573 58.200 0.083 0.000 0.999 306 S CB -0.507 62.728 63.200 0.058 0.000 0.844 306 S HN 0.417 nan 8.310 nan 0.000 0.459 307 V N 1.407 121.359 119.914 0.064 0.000 2.307 307 V HA -0.107 4.057 4.120 0.073 0.000 0.245 307 V C 2.341 178.455 176.094 0.032 0.000 1.045 307 V CA 1.328 63.646 62.300 0.031 0.000 1.024 307 V CB -0.686 31.181 31.823 0.073 0.000 0.651 307 V HN 0.335 nan 8.190 nan 0.000 0.449 308 V N 0.526 120.484 119.914 0.073 0.000 2.358 308 V HA -0.228 3.936 4.120 0.073 0.000 0.246 308 V C 2.240 178.407 176.094 0.122 0.000 1.047 308 V CA 2.062 64.395 62.300 0.055 0.000 1.035 308 V CB -0.814 31.053 31.823 0.073 0.000 0.658 308 V HN 0.582 nan 8.190 nan 0.000 0.452 309 N N -0.033 118.783 118.700 0.193 0.000 2.244 309 N HA -0.108 4.676 4.740 0.073 0.000 0.183 309 N C 2.037 177.740 175.510 0.321 0.000 1.016 309 N CA 1.496 54.755 53.050 0.350 0.000 0.866 309 N CB -0.021 38.730 38.487 0.440 0.000 0.980 309 N HN 0.387 nan 8.380 nan 0.000 0.430 310 S N 1.141 116.935 115.700 0.156 0.000 2.383 310 S HA 0.073 4.587 4.470 0.073 0.000 0.227 310 S C 2.073 176.741 174.600 0.113 0.000 1.026 310 S CA 0.422 58.685 58.200 0.105 0.000 0.981 310 S CB 0.057 63.248 63.200 -0.015 0.000 0.818 310 S HN 0.268 nan 8.310 nan 0.000 0.472 311 I N 1.865 122.477 120.570 0.070 0.000 2.252 311 I HA -0.169 4.045 4.170 0.073 0.000 0.245 311 I C 2.062 178.233 176.117 0.090 0.000 1.102 311 I CA 0.804 62.122 61.300 0.030 0.000 1.385 311 I CB -0.557 37.428 38.000 -0.025 0.000 1.064 311 I HN 0.205 nan 8.210 nan 0.000 0.414 312 N N 0.554 119.345 118.700 0.151 0.000 2.036 312 N HA -0.272 4.512 4.740 0.073 0.000 0.195 312 N C 1.825 177.558 175.510 0.371 0.000 1.037 312 N CA 1.671 54.816 53.050 0.158 0.000 0.855 312 N CB -0.706 37.945 38.487 0.273 0.000 1.033 312 N HN 0.457 nan 8.380 nan 0.000 0.423 313 H N -0.272 119.089 119.070 0.486 0.000 2.352 313 H HA 0.005 4.605 4.556 0.073 0.000 0.299 313 H C 2.113 177.656 175.328 0.359 0.000 1.097 313 H CA 1.571 57.946 56.048 0.545 0.000 1.311 313 H CB 0.046 29.974 29.762 0.277 0.000 1.377 313 H HN 0.145 nan 8.280 nan 0.000 0.504 314 M N -0.206 119.627 119.600 0.388 0.000 2.108 314 M HA -0.201 4.323 4.480 0.073 0.000 0.261 314 M C 2.258 178.769 176.300 0.353 0.000 1.066 314 M CA 1.560 57.023 55.300 0.271 0.000 1.107 314 M CB -0.108 32.403 32.600 -0.148 0.000 1.356 314 M HN 0.366 nan 8.290 nan 0.000 0.406 315 I N -1.454 119.222 120.570 0.178 0.000 2.286 315 I HA -0.277 3.937 4.170 0.073 0.000 0.245 315 I C 2.139 178.276 176.117 0.034 0.000 1.104 315 I CA 1.238 62.566 61.300 0.047 0.000 1.397 315 I CB -0.368 37.551 38.000 -0.136 0.000 1.072 315 I HN 0.162 nan 8.210 nan 0.000 0.417 316 Y N -0.186 120.176 120.300 0.103 0.000 2.165 316 Y HA -0.238 4.356 4.550 0.073 0.000 0.286 316 Y C 2.552 178.558 175.900 0.177 0.000 1.155 316 Y CA 1.469 59.634 58.100 0.108 0.000 1.164 316 Y CB -0.805 37.737 38.460 0.136 0.000 0.978 316 Y HN -0.028 nan 8.280 nan 0.000 0.513 317 V N -0.364 119.766 119.914 0.360 0.000 2.453 317 V HA -0.208 3.956 4.120 0.073 0.000 0.247 317 V C 2.260 178.337 176.094 -0.027 0.000 1.048 317 V CA 1.681 64.075 62.300 0.157 0.000 1.049 317 V CB -0.779 31.095 31.823 0.086 0.000 0.672 317 V HN 0.393 nan 8.190 nan 0.000 0.457 318 A N -0.028 122.780 122.820 -0.021 0.000 1.877 318 A HA -0.057 4.307 4.320 0.073 0.000 0.216 318 A C 2.429 179.886 177.584 -0.211 0.000 1.186 318 A CA 2.181 54.073 52.037 -0.241 0.000 0.620 318 A CB -1.051 17.889 19.000 -0.099 0.000 0.822 318 A HN 0.787 nan 8.150 nan 0.000 0.443 319 A N -0.120 122.661 122.820 -0.065 0.000 1.877 319 A HA 0.155 4.519 4.320 0.073 0.000 0.216 319 A C 2.535 180.176 177.584 0.095 0.000 1.186 319 A CA 2.199 54.220 52.037 -0.027 0.000 0.620 319 A CB -1.118 17.824 19.000 -0.096 0.000 0.822 319 A HN 1.092 nan 8.150 nan 0.000 0.443 320 A N -0.041 122.904 122.820 0.207 0.000 1.908 320 A HA -0.119 4.245 4.320 0.073 0.000 0.218 320 A C 2.158 179.712 177.584 -0.050 0.000 1.181 320 A CA 1.648 53.745 52.037 0.101 0.000 0.627 320 A CB -0.609 18.409 19.000 0.030 0.000 0.818 320 A HN 0.515 nan 8.150 nan 0.000 0.445 321 I N -0.539 119.962 120.570 -0.116 0.000 2.163 321 I HA -0.236 3.978 4.170 0.073 0.000 0.240 321 I C 2.448 178.485 176.117 -0.133 0.000 1.081 321 I CA 1.183 62.401 61.300 -0.137 0.000 1.353 321 I CB -0.484 37.364 38.000 -0.252 0.000 1.054 321 I HN 0.290 nan 8.210 nan 0.000 0.407 322 L N 0.214 121.249 121.223 -0.314 0.000 2.012 322 L HA -0.282 4.102 4.340 0.073 0.000 0.210 322 L C 2.728 179.565 176.870 -0.055 0.000 1.073 322 L CA 1.534 56.194 54.840 -0.299 0.000 0.748 322 L CB -0.709 41.128 42.059 -0.371 0.000 0.891 322 L HN 0.362 nan 8.230 nan 0.000 0.431 323 Q N -0.061 119.728 119.800 -0.019 0.000 2.077 323 Q HA -0.274 4.110 4.340 0.073 0.000 0.206 323 Q C 2.312 178.350 176.000 0.062 0.000 0.989 323 Q CA 2.128 57.954 55.803 0.039 0.000 0.853 323 Q CB -0.137 28.646 28.738 0.075 0.000 0.907 323 Q HN 0.536 nan 8.270 nan 0.000 0.418 324 A N -0.293 122.551 122.820 0.039 0.000 1.883 324 A HA -0.220 4.144 4.320 0.073 0.000 0.217 324 A C 1.800 179.434 177.584 0.084 0.000 1.186 324 A CA 1.564 53.623 52.037 0.036 0.000 0.624 324 A CB -1.110 17.819 19.000 -0.120 0.000 0.822 324 A HN 0.570 nan 8.150 nan 0.000 0.444 325 Y N -0.223 120.080 120.300 0.005 0.000 2.128 325 Y HA -0.230 4.364 4.550 0.073 0.000 0.284 325 Y C 2.560 178.522 175.900 0.104 0.000 1.154 325 Y CA 2.050 60.192 58.100 0.071 0.000 1.149 325 Y CB -0.302 38.219 38.460 0.103 0.000 0.976 325 Y HN 0.574 nan 8.280 nan 0.000 0.505 326 E N -0.276 120.059 120.200 0.225 0.000 2.110 326 E HA -0.218 4.176 4.350 0.073 0.000 0.193 326 E C 2.203 178.866 176.600 0.105 0.000 0.988 326 E CA 1.513 58.000 56.400 0.144 0.000 0.804 326 E CB -0.241 29.514 29.700 0.092 0.000 0.745 326 E HN 0.395 nan 8.360 nan 0.000 0.458 327 S N -0.809 114.951 115.700 0.101 0.000 2.522 327 S HA -0.094 4.420 4.470 0.073 0.000 0.227 327 S C 1.410 175.983 174.600 -0.045 0.000 0.986 327 S CA 0.372 58.591 58.200 0.031 0.000 0.929 327 S CB -0.257 62.949 63.200 0.011 0.000 0.769 327 S HN 0.407 nan 8.310 nan 0.000 0.529 328 H N 0.901 119.964 119.070 -0.012 0.000 2.551 328 H HA 0.235 4.835 4.556 0.073 0.000 0.271 328 H C 0.605 175.934 175.328 0.002 0.000 0.984 328 H CA 0.309 56.342 56.048 -0.025 0.000 1.164 328 H CB -0.005 29.703 29.762 -0.089 0.000 1.437 328 H HN 0.462 nan 8.280 nan 0.000 0.550 329 N N 0.694 119.460 118.700 0.110 0.000 2.754 329 N HA -0.180 4.604 4.740 0.073 0.000 0.248 329 N C -1.322 174.262 175.510 0.123 0.000 1.093 329 N CA 0.405 53.513 53.050 0.096 0.000 0.699 329 N CB -1.477 37.043 38.487 0.055 0.000 1.016 329 N HN -0.000 nan 8.380 nan 0.000 0.552 330 V N 0.942 120.964 119.914 0.179 0.000 2.483 330 V HA 0.586 4.750 4.120 0.073 0.000 0.295 330 V C -1.853 174.434 176.094 0.322 0.000 1.035 330 V CA -1.328 61.111 62.300 0.232 0.000 0.896 330 V CB 1.746 33.694 31.823 0.210 0.000 0.986 330 V HN 0.094 nan 8.190 nan 0.000 0.447 331 P HA 0.266 nan 4.420 nan 0.000 0.280 331 P C -1.417 175.966 177.300 0.139 0.000 1.244 331 P CA -0.189 63.011 63.100 0.167 0.000 0.784 331 P CB 0.323 32.077 31.700 0.089 0.000 0.913 332 Y N 1.612 121.877 120.300 -0.059 0.000 2.328 332 Y HA 0.265 4.859 4.550 0.073 0.000 0.333 332 Y C 1.369 177.206 175.900 -0.105 0.000 0.958 332 Y CA 0.082 58.038 58.100 -0.239 0.000 1.167 332 Y CB 1.407 39.589 38.460 -0.463 0.000 1.151 332 Y HN 0.432 nan 8.280 nan 0.000 0.470 333 T N 0.495 114.936 114.554 -0.187 0.000 3.045 333 T HA 0.318 4.712 4.350 0.073 0.000 0.239 333 T C 1.032 175.726 174.700 -0.011 0.000 1.008 333 T CA 0.469 62.533 62.100 -0.061 0.000 1.143 333 T CB -0.287 68.525 68.868 -0.093 0.000 0.894 333 T HN 0.648 nan 8.240 nan 0.000 0.451 334 G N 1.300 110.049 108.800 -0.086 0.000 2.543 334 G HA2 0.374 4.378 3.960 0.073 0.000 0.290 334 G HA3 0.374 4.378 3.960 0.073 0.000 0.290 334 G C -0.497 174.518 174.900 0.191 0.000 1.310 334 G CA -0.748 44.361 45.100 0.014 0.000 1.025 334 G HN 0.375 nan 8.290 nan 0.000 0.502 335 N N -0.422 118.380 118.700 0.169 0.000 2.468 335 N HA -0.035 4.749 4.740 0.073 0.000 0.265 335 N C 1.864 177.530 175.510 0.261 0.000 1.199 335 N CA -0.245 52.965 53.050 0.265 0.000 0.928 335 N CB 1.445 40.095 38.487 0.272 0.000 1.059 335 N HN 0.079 nan 8.380 nan 0.000 0.467 336 V N 4.544 124.605 119.914 0.245 0.000 2.311 336 V HA -0.309 3.855 4.120 0.073 0.000 0.256 336 V C 1.331 177.129 176.094 -0.494 0.000 1.077 336 V CA 1.921 64.058 62.300 -0.273 0.000 1.067 336 V CB -0.655 30.663 31.823 -0.842 0.000 0.659 336 V HN 0.623 nan 8.190 nan 0.000 0.451 337 F N -0.817 119.016 119.950 -0.195 0.000 2.797 337 F HA 0.122 4.693 4.527 0.073 0.000 0.302 337 F C 2.094 177.654 175.800 -0.399 0.000 1.130 337 F CA 0.725 58.383 58.000 -0.570 0.000 1.387 337 F CB -0.214 38.062 39.000 -1.206 0.000 1.107 337 F HN 0.195 nan 8.300 nan 0.000 0.577 338 Q N 0.247 120.088 119.800 0.070 0.000 2.387 338 Q HA 0.032 4.416 4.340 0.073 0.000 0.212 338 Q C 1.904 177.945 176.000 0.068 0.000 0.925 338 Q CA 1.121 57.029 55.803 0.176 0.000 0.901 338 Q CB -0.508 28.375 28.738 0.242 0.000 1.020 338 Q HN 0.166 nan 8.270 nan 0.000 0.545 339 V N 0.843 120.773 119.914 0.027 0.000 2.295 339 V HA -0.139 4.025 4.120 0.073 0.000 0.246 339 V C 0.633 176.727 176.094 0.001 0.000 1.049 339 V CA 1.755 64.043 62.300 -0.020 0.000 1.024 339 V CB -0.364 31.394 31.823 -0.109 0.000 0.648 339 V HN 0.284 nan 8.190 nan 0.000 0.447 340 E N -0.708 119.484 120.200 -0.014 0.000 2.250 340 E HA 0.434 4.828 4.350 0.073 0.000 0.269 340 E C -0.305 176.286 176.600 -0.015 0.000 1.018 340 E CA -0.083 56.307 56.400 -0.016 0.000 0.873 340 E CB 1.371 31.027 29.700 -0.073 0.000 1.134 340 E HN 0.177 nan 8.360 nan 0.000 0.403 341 T N 2.524 117.090 114.554 0.020 0.000 2.786 341 T HA 0.527 4.921 4.350 0.073 0.000 0.283 341 T C -0.686 174.011 174.700 -0.006 0.000 0.992 341 T CA -0.599 61.503 62.100 0.002 0.000 0.954 341 T CB 0.255 69.152 68.868 0.047 0.000 0.934 341 T HN 0.174 nan 8.240 nan 0.000 0.440 342 I N 4.278 124.769 120.570 -0.132 0.000 2.478 342 I HA 0.332 4.546 4.170 0.073 0.000 0.287 342 I C -0.371 175.521 176.117 -0.374 0.000 1.042 342 I CA -0.750 60.523 61.300 -0.045 0.000 1.067 342 I CB 1.663 39.763 38.000 0.165 0.000 1.233 342 I HN 0.635 nan 8.210 nan 0.000 0.431 343 H N 4.273 123.341 119.070 -0.003 0.000 2.539 343 H HA 0.507 5.107 4.556 0.073 0.000 0.332 343 H C -0.048 175.265 175.328 -0.025 0.000 1.031 343 H CA -0.370 55.607 56.048 -0.119 0.000 1.206 343 H CB 2.243 31.756 29.762 -0.415 0.000 1.446 343 H HN 0.597 nan 8.280 nan 0.000 0.496 344 T N 0.247 114.883 114.554 0.137 0.000 2.887 344 T HA 0.428 4.822 4.350 0.073 0.000 0.288 344 T C -0.879 173.993 174.700 0.288 0.000 1.021 344 T CA -0.869 61.311 62.100 0.133 0.000 1.000 344 T CB 2.039 70.785 68.868 -0.203 0.000 1.034 344 T HN 0.562 nan 8.240 nan 0.000 0.467 345 Y N 1.699 122.076 120.300 0.127 0.000 2.488 345 Y HA 0.471 5.065 4.550 0.073 0.000 0.330 345 Y C 1.291 177.140 175.900 -0.086 0.000 1.013 345 Y CA 0.210 58.319 58.100 0.013 0.000 1.304 345 Y CB 0.525 38.921 38.460 -0.106 0.000 1.098 345 Y HN 1.282 nan 8.280 nan 0.000 0.498 346 G N 3.782 112.624 108.800 0.070 0.000 2.690 346 G HA2 -0.498 3.506 3.960 0.073 0.000 0.362 346 G HA3 -0.498 3.506 3.960 0.073 0.000 0.362 346 G C 1.162 175.854 174.900 -0.347 0.000 1.132 346 G CA 1.454 46.544 45.100 -0.016 0.000 0.922 346 G HN 0.753 nan 8.290 nan 0.000 0.595 347 D N 0.948 120.925 120.400 -0.706 0.000 2.333 347 D HA 0.061 4.745 4.640 0.073 0.000 0.208 347 D C 0.504 176.567 176.300 -0.395 0.000 0.984 347 D CA 0.585 53.838 54.000 -1.245 0.000 0.873 347 D CB -0.298 39.699 40.800 -1.339 0.000 0.935 347 D HN 0.378 nan 8.370 nan 0.000 0.521 348 D N 0.624 120.917 120.400 -0.178 0.000 2.414 348 D HA 0.165 4.849 4.640 0.073 0.000 0.242 348 D C 0.096 176.495 176.300 0.164 0.000 1.129 348 D CA 0.181 54.147 54.000 -0.057 0.000 0.885 348 D CB 1.440 42.080 40.800 -0.268 0.000 1.198 348 D HN 0.363 nan 8.370 nan 0.000 0.437 349 C N 1.106 120.582 119.300 0.294 0.000 3.312 349 C HA 0.707 5.211 4.460 0.073 0.000 0.332 349 C C -0.994 174.056 174.990 0.099 0.000 1.340 349 C CA -1.045 58.129 59.018 0.261 0.000 1.265 349 C CB 0.942 28.654 27.740 -0.048 0.000 1.563 349 C HN 0.561 nan 8.230 nan 0.000 0.471 350 M N 2.011 121.573 119.600 -0.063 0.000 2.267 350 M HA 0.477 5.001 4.480 0.073 0.000 0.289 350 M C -1.866 174.464 176.300 0.050 0.000 1.043 350 M CA -0.123 55.109 55.300 -0.115 0.000 0.928 350 M CB 2.127 34.604 32.600 -0.205 0.000 1.613 350 M HN 0.774 nan 8.290 nan 0.000 0.450 351 Y N 0.639 121.009 120.300 0.117 0.000 2.335 351 Y HA 0.476 5.071 4.550 0.073 0.000 0.338 351 Y C 0.263 176.217 175.900 0.090 0.000 0.977 351 Y CA -1.480 56.697 58.100 0.127 0.000 1.114 351 Y CB 1.839 40.429 38.460 0.216 0.000 1.182 351 Y HN 0.507 nan 8.280 nan 0.000 0.463 352 S N 3.870 119.698 115.700 0.213 0.000 2.532 352 S HA 0.577 5.091 4.470 0.073 0.000 0.318 352 S C -0.831 173.835 174.600 0.109 0.000 1.083 352 S CA -0.646 57.626 58.200 0.120 0.000 1.131 352 S CB -0.559 62.684 63.200 0.072 0.000 0.973 352 S HN 0.524 nan 8.310 nan 0.000 0.468 353 V N 3.757 123.744 119.914 0.121 0.000 2.532 353 V HA 0.644 4.808 4.120 0.073 0.000 0.295 353 V C 0.921 177.068 176.094 0.088 0.000 1.041 353 V CA -1.410 60.959 62.300 0.116 0.000 0.926 353 V CB 0.091 32.004 31.823 0.150 0.000 0.992 353 V HN 0.987 nan 8.190 nan 0.000 0.457 354 C N 5.223 124.571 119.300 0.081 0.000 2.674 354 C HA 0.249 4.753 4.460 0.073 0.000 0.405 354 C C -0.360 174.683 174.990 0.087 0.000 1.285 354 C CA 0.231 59.291 59.018 0.070 0.000 1.845 354 C CB -0.010 27.762 27.740 0.052 0.000 2.689 354 C HN 0.873 nan 8.230 nan 0.000 0.643 355 P HA -0.035 nan 4.420 nan 0.000 0.217 355 P C 1.773 179.112 177.300 0.066 0.000 1.151 355 P CA 2.900 66.035 63.100 0.058 0.000 0.828 355 P CB -0.276 31.446 31.700 0.037 0.000 0.788 356 A N 0.019 122.883 122.820 0.075 0.000 1.892 356 A HA -0.208 4.156 4.320 0.073 0.000 0.218 356 A C 2.359 179.983 177.584 0.067 0.000 1.188 356 A CA 2.715 54.797 52.037 0.076 0.000 0.631 356 A CB -1.972 17.111 19.000 0.137 0.000 0.822 356 A HN 0.181 nan 8.150 nan 0.000 0.447 357 T N 0.044 114.707 114.554 0.182 0.000 2.737 357 T HA 0.036 4.430 4.350 0.073 0.000 0.265 357 T C 2.258 177.045 174.700 0.146 0.000 1.038 357 T CA 1.536 63.758 62.100 0.204 0.000 1.144 357 T CB -0.528 68.526 68.868 0.311 0.000 0.866 357 T HN 0.639 nan 8.240 nan 0.000 0.434 358 A N 1.490 124.399 122.820 0.149 0.000 1.958 358 A HA -0.182 4.182 4.320 0.073 0.000 0.221 358 A C 2.581 180.251 177.584 0.143 0.000 1.178 358 A CA 2.216 54.351 52.037 0.164 0.000 0.642 358 A CB -1.051 18.036 19.000 0.145 0.000 0.816 358 A HN 0.451 nan 8.150 nan 0.000 0.453 359 S N -0.521 115.221 115.700 0.071 0.000 2.383 359 S HA -0.144 4.370 4.470 0.073 0.000 0.229 359 S C 1.425 176.049 174.600 0.039 0.000 1.030 359 S CA 1.552 59.784 58.200 0.054 0.000 1.002 359 S CB -0.479 62.722 63.200 0.001 0.000 0.829 359 S HN 0.837 nan 8.310 nan 0.000 0.467 360 I N -2.752 117.722 120.570 -0.161 0.000 3.816 360 I HA 0.403 4.617 4.170 0.073 0.000 0.334 360 I C 1.045 176.761 176.117 -0.669 0.000 1.551 360 I CA -0.298 60.671 61.300 -0.551 0.000 1.153 360 I CB -0.195 37.330 38.000 -0.791 0.000 1.197 360 I HN -0.071 nan 8.210 nan 0.000 0.439 361 F N 3.502 123.185 119.950 -0.446 0.000 2.216 361 F HA -0.202 4.369 4.527 0.073 0.000 0.300 361 F C 2.827 178.422 175.800 -0.341 0.000 1.085 361 F CA 2.098 59.876 58.000 -0.369 0.000 1.326 361 F CB -0.271 38.524 39.000 -0.342 0.000 1.027 361 F HN 0.410 nan 8.300 nan 0.000 0.497 362 H N -2.795 116.260 119.070 -0.024 0.000 2.357 362 H HA -0.211 4.389 4.556 0.073 0.000 0.296 362 H C 2.166 177.410 175.328 -0.140 0.000 1.108 362 H CA 1.771 57.781 56.048 -0.064 0.000 1.273 362 H CB -1.539 28.222 29.762 -0.001 0.000 1.367 362 H HN 0.289 nan 8.280 nan 0.000 0.498 363 T N 0.554 114.774 114.554 -0.556 0.000 2.851 363 T HA 0.002 4.396 4.350 0.073 0.000 0.262 363 T C 2.354 176.864 174.700 -0.317 0.000 1.043 363 T CA 1.240 63.176 62.100 -0.273 0.000 1.140 363 T CB -0.437 68.305 68.868 -0.211 0.000 0.872 363 T HN 0.201 nan 8.240 nan 0.000 0.446 364 V N 2.008 121.639 119.914 -0.472 0.000 2.282 364 V HA -0.180 3.984 4.120 0.073 0.000 0.249 364 V C 2.659 178.459 176.094 -0.491 0.000 1.057 364 V CA 1.898 63.897 62.300 -0.503 0.000 1.032 364 V CB -0.749 30.649 31.823 -0.708 0.000 0.645 364 V HN 0.478 nan 8.190 nan 0.000 0.447 365 L N -0.094 120.783 121.223 -0.575 0.000 2.083 365 L HA -0.167 4.217 4.340 0.073 0.000 0.209 365 L C 2.673 179.388 176.870 -0.257 0.000 1.083 365 L CA 1.552 56.163 54.840 -0.381 0.000 0.752 365 L CB -0.730 41.148 42.059 -0.302 0.000 0.899 365 L HN 0.385 nan 8.230 nan 0.000 0.433 366 A N -0.050 122.633 122.820 -0.229 0.000 1.968 366 A HA -0.160 4.204 4.320 0.073 0.000 0.217 366 A C 2.011 179.439 177.584 -0.260 0.000 1.169 366 A CA 1.474 53.402 52.037 -0.181 0.000 0.638 366 A CB -0.413 18.524 19.000 -0.106 0.000 0.812 366 A HN 0.414 nan 8.150 nan 0.000 0.446 367 N N 0.441 118.942 118.700 -0.331 0.000 2.106 367 N HA -0.089 4.695 4.740 0.073 0.000 0.188 367 N C 1.646 176.549 175.510 -1.012 0.000 1.029 367 N CA 1.350 54.071 53.050 -0.548 0.000 0.848 367 N CB -0.603 37.657 38.487 -0.378 0.000 1.007 367 N HN 0.485 nan 8.380 nan 0.000 0.423 368 L N 0.648 121.502 121.223 -0.615 0.000 1.990 368 L HA -0.238 4.146 4.340 0.073 0.000 0.213 368 L C 2.680 179.357 176.870 -0.321 0.000 1.072 368 L CA 1.992 56.590 54.840 -0.403 0.000 0.755 368 L CB -1.282 40.734 42.059 -0.072 0.000 0.889 368 L HN 0.336 nan 8.230 nan 0.000 0.432 369 T N -2.446 111.965 114.554 -0.238 0.000 2.833 369 T HA -0.202 4.192 4.350 0.073 0.000 0.269 369 T C 2.066 176.672 174.700 -0.157 0.000 1.054 369 T CA 1.558 63.564 62.100 -0.157 0.000 1.135 369 T CB -0.502 68.299 68.868 -0.111 0.000 0.869 369 T HN 0.487 nan 8.240 nan 0.000 0.466 370 S N 0.297 115.855 115.700 -0.237 0.000 2.442 370 S HA -0.103 4.411 4.470 0.073 0.000 0.236 370 S C 1.701 176.300 174.600 -0.000 0.000 1.007 370 S CA 0.631 58.741 58.200 -0.149 0.000 0.965 370 S CB -0.913 62.191 63.200 -0.161 0.000 0.773 370 S HN 0.637 nan 8.310 nan 0.000 0.504 371 Y N 1.868 122.155 120.300 -0.022 0.000 2.516 371 Y HA 0.369 4.963 4.550 0.073 0.000 0.291 371 Y C 2.177 178.043 175.900 -0.056 0.000 1.131 371 Y CA -0.590 57.512 58.100 0.003 0.000 1.281 371 Y CB -0.972 37.537 38.460 0.082 0.000 1.013 371 Y HN 0.474 nan 8.280 nan 0.000 0.554 372 G N -0.387 108.428 108.800 0.025 0.000 2.154 372 G HA2 -0.209 3.795 3.960 0.073 0.000 0.186 372 G HA3 -0.209 3.795 3.960 0.073 0.000 0.186 372 G C -0.049 174.784 174.900 -0.112 0.000 1.000 372 G CA -0.220 44.855 45.100 -0.043 0.000 0.664 372 G HN 0.202 nan 8.290 nan 0.000 0.513 373 L N -0.184 120.952 121.223 -0.146 0.000 2.464 373 L HA 0.456 4.840 4.340 0.073 0.000 0.264 373 L C 0.860 177.729 176.870 -0.002 0.000 1.199 373 L CA -0.016 54.746 54.840 -0.130 0.000 0.818 373 L CB 0.610 42.578 42.059 -0.151 0.000 1.102 373 L HN 0.043 nan 8.230 nan 0.000 0.473 374 K N 2.568 123.028 120.400 0.100 0.000 2.682 374 K HA 0.302 4.666 4.320 0.073 0.000 0.189 374 K C -2.381 174.240 176.600 0.036 0.000 1.062 374 K CA -1.497 54.825 56.287 0.058 0.000 0.997 374 K CB 0.626 33.150 32.500 0.040 0.000 1.405 374 K HN 0.313 nan 8.250 nan 0.000 0.588 386 P HA 0.262 nan 4.420 nan 0.000 0.279 386 P C -0.994 176.149 177.300 -0.262 0.000 1.252 386 P CA -0.245 62.539 63.100 -0.527 0.000 0.811 386 P CB 1.494 32.831 31.700 -0.605 0.000 1.035 387 T N -0.244 114.157 114.554 -0.255 0.000 2.883 387 T HA 0.298 4.692 4.350 0.073 0.000 0.296 387 T C 0.415 175.030 174.700 -0.141 0.000 1.117 387 T CA -0.734 61.276 62.100 -0.149 0.000 1.006 387 T CB 0.729 69.533 68.868 -0.106 0.000 1.191 387 T HN 0.251 nan 8.240 nan 0.000 0.508 388 N N 1.215 119.859 118.700 -0.093 0.000 2.236 388 N HA 0.112 4.896 4.740 0.073 0.000 0.196 388 N C -0.468 175.008 175.510 -0.056 0.000 1.114 388 N CA 0.077 53.083 53.050 -0.073 0.000 0.859 388 N CB 0.762 39.219 38.487 -0.050 0.000 0.982 388 N HN 0.478 nan 8.380 nan 0.000 0.493 389 T N 2.872 117.390 114.554 -0.061 0.000 2.893 389 T HA 0.304 4.698 4.350 0.073 0.000 0.324 389 T C -2.674 171.977 174.700 -0.082 0.000 1.082 389 T CA -1.338 60.739 62.100 -0.039 0.000 0.983 389 T CB 2.037 70.902 68.868 -0.006 0.000 1.005 389 T HN -0.079 nan 8.240 nan 0.000 0.475 390 P HA 0.254 nan 4.420 nan 0.000 0.267 390 P C -0.844 176.300 177.300 -0.260 0.000 1.209 390 P CA -0.242 62.627 63.100 -0.384 0.000 0.763 390 P CB 0.546 31.725 31.700 -0.868 0.000 0.816 391 V N 5.567 125.391 119.914 -0.149 0.000 2.531 391 V HA 0.612 4.776 4.120 0.073 0.000 0.301 391 V C -0.744 175.441 176.094 0.152 0.000 1.034 391 V CA -0.332 61.992 62.300 0.039 0.000 0.865 391 V CB 1.242 33.092 31.823 0.045 0.000 0.995 391 V HN 0.408 nan 8.190 nan 0.000 0.424 392 F N 4.443 124.419 119.950 0.043 0.000 2.650 392 F HA 0.552 5.124 4.527 0.074 0.000 0.310 392 F C 0.098 175.956 175.800 0.096 0.000 1.112 392 F CA -1.099 56.938 58.000 0.062 0.000 0.986 392 F CB 1.676 40.721 39.000 0.075 0.000 1.285 392 F HN 0.380 nan 8.300 nan 0.000 0.440 393 L N 6.404 127.287 121.223 -0.567 0.000 3.941 393 L HA -0.371 4.013 4.340 0.073 0.000 0.455 393 L C 0.567 177.336 176.870 -0.169 0.000 1.179 393 L CA 0.863 55.449 54.840 -0.424 0.000 0.782 393 L CB -1.294 40.492 42.059 -0.455 0.000 1.679 393 L HN 0.748 nan 8.230 nan 0.000 0.871 394 K N -2.653 117.690 120.400 -0.096 0.000 3.193 394 K HA -0.196 4.168 4.320 0.073 0.000 0.294 394 K C 0.233 176.855 176.600 0.037 0.000 1.185 394 K CA 1.280 57.551 56.287 -0.026 0.000 0.866 394 K CB -1.209 31.259 32.500 -0.054 0.000 1.227 394 K HN 0.584 nan 8.250 nan 0.000 0.467 395 R N 0.871 121.435 120.500 0.106 0.000 2.474 395 R HA 0.352 4.736 4.340 0.073 0.000 0.295 395 R C 0.026 176.486 176.300 0.268 0.000 0.980 395 R CA -0.471 55.734 56.100 0.176 0.000 0.934 395 R CB 1.045 31.460 30.300 0.192 0.000 1.101 395 R HN -0.079 nan 8.270 nan 0.000 0.469 396 T N 3.606 118.292 114.554 0.220 0.000 2.743 396 T HA 0.342 4.736 4.350 0.073 0.000 0.292 396 T C 0.221 175.101 174.700 0.300 0.000 0.972 396 T CA -0.399 61.849 62.100 0.248 0.000 0.967 396 T CB 0.112 69.066 68.868 0.143 0.000 0.926 396 T HN 0.261 nan 8.240 nan 0.000 0.459 397 F N 2.892 122.865 119.950 0.038 0.000 2.541 397 F HA 0.270 4.841 4.527 0.073 0.000 0.378 397 F C 1.207 177.009 175.800 0.003 0.000 1.068 397 F CA -0.160 57.856 58.000 0.027 0.000 1.199 397 F CB 0.378 39.395 39.000 0.028 0.000 1.091 397 F HN 0.406 nan 8.300 nan 0.000 0.555 398 T N 3.087 117.696 114.554 0.092 0.000 2.956 398 T HA 0.194 4.588 4.350 0.073 0.000 0.312 398 T C -0.761 173.930 174.700 -0.015 0.000 1.151 398 T CA -1.029 61.087 62.100 0.027 0.000 1.024 398 T CB 1.718 70.572 68.868 -0.023 0.000 1.140 398 T HN 0.386 nan 8.240 nan 0.000 0.473 399 Q N 1.781 121.576 119.800 -0.008 0.000 2.314 399 Q HA 0.551 4.935 4.340 0.073 0.000 0.258 399 Q C 0.576 176.546 176.000 -0.050 0.000 0.954 399 Q CA -0.329 55.459 55.803 -0.025 0.000 0.890 399 Q CB 0.887 29.617 28.738 -0.012 0.000 1.210 399 Q HN 0.803 nan 8.270 nan 0.000 0.410 400 T N -1.723 112.789 114.554 -0.071 0.000 2.858 400 T HA 0.466 4.860 4.350 0.073 0.000 0.285 400 T C -2.108 172.535 174.700 -0.094 0.000 1.052 400 T CA -1.941 60.113 62.100 -0.077 0.000 1.009 400 T CB 1.069 69.880 68.868 -0.096 0.000 1.241 400 T HN 0.230 nan 8.240 nan 0.000 0.542 401 P HA 0.077 nan 4.420 nan 0.000 0.230 401 P C 0.617 177.613 177.300 -0.508 0.000 1.158 401 P CA 0.799 63.743 63.100 -0.259 0.000 0.769 401 P CB -0.026 31.537 31.700 -0.229 0.000 0.807 402 H N -1.440 117.579 119.070 -0.084 0.000 2.528 402 H HA 0.471 5.071 4.556 0.073 0.000 0.282 402 H C 1.052 176.322 175.328 -0.098 0.000 1.097 402 H CA 0.565 56.559 56.048 -0.090 0.000 1.121 402 H CB 0.516 30.214 29.762 -0.107 0.000 1.590 402 H HN 0.084 nan 8.280 nan 0.000 0.553 403 G N 0.972 109.747 108.800 -0.041 0.000 2.423 403 G HA2 -0.150 3.854 3.960 0.073 0.000 0.684 403 G HA3 -0.150 3.854 3.960 0.073 0.000 0.684 403 G C -0.937 173.923 174.900 -0.067 0.000 1.309 403 G CA -1.095 43.985 45.100 -0.033 0.000 0.950 403 G HN 0.066 nan 8.290 nan 0.000 0.587 404 I N 1.301 121.854 120.570 -0.028 0.000 2.752 404 I HA 0.283 4.497 4.170 0.073 0.000 0.289 404 I C 1.024 177.077 176.117 -0.108 0.000 1.197 404 I CA 0.475 61.751 61.300 -0.041 0.000 1.432 404 I CB 0.290 38.300 38.000 0.017 0.000 1.359 404 I HN 0.423 nan 8.210 nan 0.000 0.571 405 R N 4.831 125.242 120.500 -0.149 0.000 2.750 405 R HA 0.723 5.107 4.340 0.073 0.000 0.281 405 R C -0.867 175.313 176.300 -0.200 0.000 0.972 405 R CA -1.142 54.848 56.100 -0.183 0.000 0.912 405 R CB 1.880 32.029 30.300 -0.252 0.000 1.187 405 R HN 0.612 nan 8.270 nan 0.000 0.464 406 A N 3.981 126.693 122.820 -0.180 0.000 2.650 406 A HA 0.361 4.725 4.320 0.073 0.000 0.320 406 A C 0.075 177.665 177.584 0.010 0.000 1.466 406 A CA -0.434 51.498 52.037 -0.175 0.000 1.099 406 A CB -0.236 18.625 19.000 -0.231 0.000 1.136 406 A HN 0.536 nan 8.150 nan 0.000 0.532 407 L N 3.084 124.304 121.223 -0.006 0.000 2.278 407 L HA 0.172 4.556 4.340 0.073 0.000 0.287 407 L C 0.004 176.940 176.870 0.109 0.000 1.072 407 L CA -0.874 53.949 54.840 -0.028 0.000 0.819 407 L CB 0.842 42.756 42.059 -0.243 0.000 1.176 407 L HN 0.512 nan 8.230 nan 0.000 0.435 408 L N 3.945 125.266 121.223 0.163 0.000 2.559 408 L HA -0.038 4.346 4.340 0.073 0.000 0.282 408 L C 0.297 177.282 176.870 0.191 0.000 1.232 408 L CA 0.374 55.284 54.840 0.116 0.000 0.885 408 L CB -0.127 41.940 42.059 0.013 0.000 1.131 408 L HN 0.467 nan 8.230 nan 0.000 0.498 409 D N 4.249 124.702 120.400 0.087 0.000 2.506 409 D HA -0.059 4.625 4.640 0.073 0.000 0.234 409 D C 1.567 177.859 176.300 -0.014 0.000 1.143 409 D CA 0.320 54.355 54.000 0.058 0.000 0.871 409 D CB 0.592 41.395 40.800 0.005 0.000 1.190 409 D HN 0.439 nan 8.370 nan 0.000 0.459 410 I N 1.130 121.647 120.570 -0.087 0.000 2.361 410 I HA -0.289 3.925 4.170 0.073 0.000 0.251 410 I C 2.446 178.498 176.117 -0.108 0.000 1.133 410 I CA 1.354 62.538 61.300 -0.194 0.000 1.413 410 I CB -0.238 37.618 38.000 -0.239 0.000 1.073 410 I HN 0.490 nan 8.210 nan 0.000 0.424 411 T N -3.049 111.462 114.554 -0.072 0.000 2.951 411 T HA -0.076 4.318 4.350 0.073 0.000 0.268 411 T C 1.955 176.597 174.700 -0.097 0.000 1.073 411 T CA 1.258 63.322 62.100 -0.062 0.000 1.134 411 T CB -0.329 68.516 68.868 -0.038 0.000 0.884 411 T HN 0.165 nan 8.240 nan 0.000 0.479 412 S N 1.456 117.089 115.700 -0.111 0.000 2.383 412 S HA 0.045 4.559 4.470 0.073 0.000 0.229 412 S C 1.878 176.428 174.600 -0.083 0.000 1.030 412 S CA 1.225 59.352 58.200 -0.122 0.000 1.002 412 S CB -0.469 62.662 63.200 -0.114 0.000 0.829 412 S HN 0.537 nan 8.310 nan 0.000 0.467 413 I N 1.440 121.980 120.570 -0.051 0.000 2.193 413 I HA -0.149 4.065 4.170 0.073 0.000 0.240 413 I C 2.774 178.915 176.117 0.040 0.000 1.084 413 I CA 1.549 62.860 61.300 0.018 0.000 1.365 413 I CB -0.741 37.290 38.000 0.052 0.000 1.064 413 I HN 0.386 nan 8.210 nan 0.000 0.410 414 T N -0.620 113.902 114.554 -0.053 0.000 2.942 414 T HA -0.119 4.275 4.350 0.073 0.000 0.265 414 T C 1.918 176.389 174.700 -0.382 0.000 1.062 414 T CA 0.678 62.654 62.100 -0.207 0.000 1.139 414 T CB -0.473 68.214 68.868 -0.301 0.000 0.883 414 T HN 0.399 nan 8.240 nan 0.000 0.468 415 R N 1.569 121.995 120.500 -0.124 0.000 2.152 415 R HA -0.075 4.309 4.340 0.073 0.000 0.232 415 R C 2.246 178.591 176.300 0.074 0.000 1.117 415 R CA 1.378 57.521 56.100 0.072 0.000 0.981 415 R CB -0.662 29.722 30.300 0.141 0.000 0.870 415 R HN 0.424 nan 8.270 nan 0.000 0.451 416 Q N -0.131 119.634 119.800 -0.058 0.000 2.226 416 Q HA -0.109 4.275 4.340 0.073 0.000 0.204 416 Q C 1.437 177.263 176.000 -0.291 0.000 0.975 416 Q CA 1.498 57.215 55.803 -0.143 0.000 0.866 416 Q CB -0.088 28.502 28.738 -0.247 0.000 0.915 416 Q HN 0.416 nan 8.270 nan 0.000 0.440 417 F N -1.884 117.901 119.950 -0.275 0.000 2.335 417 F HA -0.088 4.483 4.527 0.073 0.000 0.296 417 F C 1.318 176.961 175.800 -0.262 0.000 1.091 417 F CA 0.611 58.433 58.000 -0.297 0.000 1.399 417 F CB 0.113 38.834 39.000 -0.466 0.000 1.067 417 F HN 0.066 nan 8.300 nan 0.000 0.520 418 Y N -2.602 117.604 120.300 -0.155 0.000 2.510 418 Y HA 0.081 4.674 4.550 0.072 0.000 0.273 418 Y C -0.306 175.275 175.900 -0.532 0.000 1.119 418 Y CA -0.808 57.013 58.100 -0.464 0.000 1.286 418 Y CB -0.773 37.306 38.460 -0.635 0.000 1.061 418 Y HN -0.131 nan 8.280 nan 0.000 0.542 419 W N 0.741 122.137 121.300 0.160 0.000 2.936 419 W HA 0.649 5.350 4.660 0.069 0.000 0.338 419 W C -1.025 175.570 176.519 0.127 0.000 1.121 419 W CA -1.248 56.202 57.345 0.175 0.000 1.209 419 W CB 1.464 31.036 29.460 0.187 0.000 1.420 419 W HN -0.356 nan 8.180 nan 0.000 0.516 420 L N 0.236 121.683 121.223 0.375 0.000 2.422 420 L HA 0.682 5.065 4.340 0.073 0.000 0.264 420 L C -0.724 176.198 176.870 0.086 0.000 0.984 420 L CA -1.213 53.711 54.840 0.139 0.000 0.819 420 L CB 2.053 44.034 42.059 -0.130 0.000 1.330 420 L HN 0.312 nan 8.230 nan 0.000 0.410 421 K N 2.486 122.811 120.400 -0.126 0.000 2.276 421 K HA 0.730 5.094 4.320 0.073 0.000 0.285 421 K C -0.495 176.021 176.600 -0.140 0.000 1.062 421 K CA 0.400 56.460 56.287 -0.379 0.000 0.918 421 K CB 1.415 33.595 32.500 -0.534 0.000 1.055 421 K HN 0.944 nan 8.250 nan 0.000 0.477 422 A N 3.317 126.104 122.820 -0.055 0.000 4.258 422 A HA 0.228 4.592 4.320 0.073 0.000 0.158 422 A C -1.162 176.466 177.584 0.072 0.000 0.780 422 A CA -0.616 51.438 52.037 0.028 0.000 1.200 422 A CB 0.191 19.180 19.000 -0.018 0.000 2.104 422 A HN 0.821 nan 8.150 nan 0.000 0.922 423 N N 1.835 120.614 118.700 0.132 0.000 2.520 423 N HA 0.137 4.921 4.740 0.073 0.000 0.273 423 N C -0.522 175.098 175.510 0.183 0.000 1.155 423 N CA -0.332 52.800 53.050 0.136 0.000 0.967 423 N CB 0.494 39.044 38.487 0.104 0.000 1.092 423 N HN 0.573 nan 8.380 nan 0.000 0.457 424 R N 0.224 120.762 120.500 0.063 0.000 2.598 424 R HA -0.054 4.330 4.340 0.073 0.000 0.266 424 R C 0.249 176.557 176.300 0.012 0.000 0.977 424 R CA 0.773 56.876 56.100 0.005 0.000 1.097 424 R CB -0.134 30.165 30.300 -0.001 0.000 0.911 424 R HN 0.831 nan 8.270 nan 0.000 0.419 425 T N -1.006 113.491 114.554 -0.095 0.000 2.775 425 T HA 0.137 4.531 4.350 0.073 0.000 0.320 425 T C -0.093 174.505 174.700 -0.171 0.000 1.597 425 T CA -0.591 61.455 62.100 -0.090 0.000 1.022 425 T CB 1.537 70.322 68.868 -0.138 0.000 1.485 425 T HN 0.396 nan 8.240 nan 0.000 0.494 426 S N 1.383 117.058 115.700 -0.042 0.000 2.540 426 S HA 0.269 4.783 4.470 0.073 0.000 0.218 426 S C -0.303 174.386 174.600 0.148 0.000 0.977 426 S CA -0.149 58.098 58.200 0.078 0.000 0.918 426 S CB -0.007 63.309 63.200 0.194 0.000 0.806 426 S HN 0.635 nan 8.310 nan 0.000 0.496 427 D N 0.832 121.254 120.400 0.036 0.000 2.358 427 D HA 0.354 5.038 4.640 0.073 0.000 0.253 427 D C -2.227 174.073 176.300 -0.001 0.000 1.288 427 D CA -2.114 51.932 54.000 0.077 0.000 0.950 427 D CB 1.552 42.406 40.800 0.090 0.000 1.197 427 D HN -0.166 nan 8.370 nan 0.000 0.550 428 P HA -0.145 nan 4.420 nan 0.000 0.217 428 P C 1.177 178.585 177.300 0.181 0.000 1.148 428 P CA 0.979 64.115 63.100 0.061 0.000 0.828 428 P CB 0.115 31.973 31.700 0.263 0.000 0.783 429 S N -1.540 114.261 115.700 0.168 0.000 2.603 429 S HA 0.000 4.514 4.470 0.073 0.000 0.229 429 S C 0.989 175.683 174.600 0.157 0.000 0.972 429 S CA 0.018 58.307 58.200 0.148 0.000 0.935 429 S CB -1.216 62.048 63.200 0.108 0.000 0.769 429 S HN 0.240 nan 8.310 nan 0.000 0.536 430 S N 1.671 117.490 115.700 0.198 0.000 2.632 430 S HA 0.534 5.048 4.470 0.073 0.000 0.267 430 S C -3.114 171.658 174.600 0.286 0.000 1.276 430 S CA -1.501 56.826 58.200 0.211 0.000 0.998 430 S CB 0.277 63.592 63.200 0.193 0.000 0.953 430 S HN 0.100 nan 8.310 nan 0.000 0.547 431 P HA 0.347 nan 4.420 nan 0.000 0.282 431 P C -2.467 174.815 177.300 -0.029 0.000 1.262 431 P CA -1.269 61.885 63.100 0.089 0.000 0.773 431 P CB -0.080 31.664 31.700 0.073 0.000 0.879 432 P HA 0.160 nan 4.420 nan 0.000 0.271 432 P C -0.779 176.572 177.300 0.085 0.000 1.216 432 P CA -0.201 62.693 63.100 -0.343 0.000 0.776 432 P CB 0.575 32.034 31.700 -0.401 0.000 0.881 433 A N 4.138 126.969 122.820 0.019 0.000 2.269 433 A HA 0.662 5.026 4.320 0.073 0.000 0.302 433 A C -0.438 177.233 177.584 0.146 0.000 1.266 433 A CA -0.385 51.683 52.037 0.051 0.000 0.894 433 A CB -0.734 18.264 19.000 -0.003 0.000 1.147 433 A HN 0.549 nan 8.150 nan 0.000 0.537 434 F N 1.176 121.087 119.950 -0.066 0.000 2.641 434 F HA 0.520 5.089 4.527 0.071 0.000 0.308 434 F C -0.655 175.129 175.800 -0.028 0.000 1.105 434 F CA -1.341 56.630 58.000 -0.048 0.000 0.964 434 F CB 1.322 40.292 39.000 -0.050 0.000 1.294 434 F HN 0.526 nan 8.300 nan 0.000 0.442 435 D N 2.950 123.342 120.400 -0.013 0.000 2.312 435 D HA 0.180 4.864 4.640 0.073 0.000 0.252 435 D C 0.219 176.526 176.300 0.013 0.000 1.150 435 D CA -0.455 53.500 54.000 -0.076 0.000 0.870 435 D CB 1.571 42.358 40.800 -0.023 0.000 1.153 435 D HN 0.816 nan 8.370 nan 0.000 0.457 436 R N 1.846 122.300 120.500 -0.076 0.000 2.235 436 R HA -0.089 4.295 4.340 0.073 0.000 0.213 436 R C 1.858 178.214 176.300 0.094 0.000 1.059 436 R CA 0.943 57.063 56.100 0.033 0.000 0.997 436 R CB 0.152 30.429 30.300 -0.038 0.000 0.884 436 R HN 0.653 nan 8.270 nan 0.000 0.462 437 Q N 0.181 120.015 119.800 0.056 0.000 2.089 437 Q HA 0.077 4.461 4.340 0.073 0.000 0.195 437 Q C 2.271 178.313 176.000 0.070 0.000 0.963 437 Q CA 0.941 56.778 55.803 0.056 0.000 0.834 437 Q CB -0.106 28.652 28.738 0.033 0.000 0.906 437 Q HN 0.240 nan 8.270 nan 0.000 0.452 438 A N 2.045 124.907 122.820 0.070 0.000 1.892 438 A HA -0.286 4.078 4.320 0.073 0.000 0.218 438 A C 2.176 179.810 177.584 0.084 0.000 1.188 438 A CA 2.053 54.132 52.037 0.070 0.000 0.631 438 A CB -0.565 18.474 19.000 0.065 0.000 0.822 438 A HN 0.192 nan 8.150 nan 0.000 0.447 439 R N -0.020 120.558 120.500 0.130 0.000 2.091 439 R HA -0.077 4.307 4.340 0.073 0.000 0.238 439 R C 2.345 178.695 176.300 0.083 0.000 1.136 439 R CA 2.267 58.436 56.100 0.115 0.000 0.959 439 R CB -0.865 29.567 30.300 0.221 0.000 0.856 439 R HN 0.416 nan 8.270 nan 0.000 0.437 440 S N -0.337 115.428 115.700 0.108 0.000 2.368 440 S HA -0.007 4.507 4.470 0.073 0.000 0.224 440 S C 1.838 176.494 174.600 0.093 0.000 1.029 440 S CA 0.950 59.211 58.200 0.101 0.000 0.988 440 S CB -0.302 62.960 63.200 0.102 0.000 0.838 440 S HN 0.568 nan 8.310 nan 0.000 0.462 441 A N 1.178 124.050 122.820 0.088 0.000 1.902 441 A HA -0.207 4.157 4.320 0.073 0.000 0.217 441 A C 2.056 179.702 177.584 0.102 0.000 1.181 441 A CA 1.815 53.911 52.037 0.098 0.000 0.623 441 A CB -0.776 18.276 19.000 0.086 0.000 0.818 441 A HN 0.597 nan 8.150 nan 0.000 0.443 442 Q N -0.277 119.562 119.800 0.064 0.000 2.045 442 Q HA -0.189 4.195 4.340 0.073 0.000 0.206 442 Q C 1.983 177.990 176.000 0.011 0.000 0.991 442 Q CA 1.915 57.739 55.803 0.034 0.000 0.851 442 Q CB -0.255 28.472 28.738 -0.018 0.000 0.911 442 Q HN 0.692 nan 8.270 nan 0.000 0.418 443 L N 0.358 121.561 121.223 -0.033 0.000 2.156 443 L HA -0.118 4.266 4.340 0.073 0.000 0.208 443 L C 2.383 179.344 176.870 0.152 0.000 1.095 443 L CA 0.762 55.547 54.840 -0.091 0.000 0.770 443 L CB -0.469 41.542 42.059 -0.080 0.000 0.914 443 L HN 0.261 nan 8.230 nan 0.000 0.439 444 E N 0.335 120.635 120.200 0.167 0.000 2.150 444 E HA -0.141 4.253 4.350 0.073 0.000 0.193 444 E C 1.785 178.527 176.600 0.238 0.000 0.985 444 E CA 0.739 57.256 56.400 0.194 0.000 0.814 444 E CB -0.163 29.628 29.700 0.152 0.000 0.752 444 E HN 0.521 nan 8.360 nan 0.000 0.466 445 N N 1.335 120.214 118.700 0.300 0.000 2.142 445 N HA -0.113 4.671 4.740 0.073 0.000 0.186 445 N C 1.817 177.659 175.510 0.553 0.000 1.023 445 N CA 1.374 54.725 53.050 0.501 0.000 0.852 445 N CB -0.461 38.316 38.487 0.482 0.000 0.998 445 N HN 0.129 nan 8.380 nan 0.000 0.424 446 A N 1.224 124.280 122.820 0.394 0.000 1.908 446 A HA -0.077 4.287 4.320 0.073 0.000 0.218 446 A C 2.380 180.233 177.584 0.449 0.000 1.181 446 A CA 1.014 53.286 52.037 0.392 0.000 0.627 446 A CB -0.827 18.256 19.000 0.138 0.000 0.818 446 A HN 0.220 nan 8.150 nan 0.000 0.445 447 L N -0.794 120.671 121.223 0.404 0.000 2.046 447 L HA -0.212 4.172 4.340 0.073 0.000 0.208 447 L C 3.089 180.187 176.870 0.380 0.000 1.077 447 L CA 1.114 56.193 54.840 0.399 0.000 0.747 447 L CB -0.482 41.798 42.059 0.368 0.000 0.896 447 L HN 0.437 nan 8.230 nan 0.000 0.432 448 A N -0.872 122.062 122.820 0.190 0.000 1.933 448 A HA -0.241 4.123 4.320 0.073 0.000 0.218 448 A C 2.042 179.639 177.584 0.023 0.000 1.175 448 A CA 1.463 53.466 52.037 -0.057 0.000 0.628 448 A CB -0.844 17.845 19.000 -0.518 0.000 0.814 448 A HN 0.412 nan 8.150 nan 0.000 0.444 449 Y N -0.205 120.275 120.300 0.301 0.000 2.200 449 Y HA -0.107 4.487 4.550 0.074 0.000 0.290 449 Y C 2.906 178.944 175.900 0.231 0.000 1.137 449 Y CA 0.966 59.225 58.100 0.266 0.000 1.163 449 Y CB -0.338 38.314 38.460 0.319 0.000 0.988 449 Y HN 0.340 nan 8.280 nan 0.000 0.518 450 A N -0.046 123.037 122.820 0.438 0.000 1.940 450 A HA -0.261 4.103 4.320 0.073 0.000 0.219 450 A C 2.420 180.301 177.584 0.494 0.000 1.176 450 A CA 2.060 54.355 52.037 0.429 0.000 0.631 450 A CB -1.208 17.999 19.000 0.345 0.000 0.814 450 A HN 0.512 nan 8.150 nan 0.000 0.446 451 S N -0.738 115.183 115.700 0.368 0.000 2.419 451 S HA -0.229 4.285 4.470 0.073 0.000 0.235 451 S C 1.704 176.323 174.600 0.033 0.000 1.019 451 S CA 1.510 59.759 58.200 0.082 0.000 0.982 451 S CB -0.432 62.544 63.200 -0.374 0.000 0.789 451 S HN 0.568 nan 8.310 nan 0.000 0.490 452 Q N 0.527 120.279 119.800 -0.080 0.000 2.369 452 Q HA 0.033 4.417 4.340 0.073 0.000 0.206 452 Q C 1.241 177.161 176.000 -0.133 0.000 0.963 452 Q CA 1.112 56.777 55.803 -0.231 0.000 0.894 452 Q CB -0.621 27.815 28.738 -0.503 0.000 0.965 452 Q HN 0.825 nan 8.270 nan 0.000 0.475 453 H N -0.251 118.844 119.070 0.043 0.000 2.547 453 H HA 0.249 4.849 4.556 0.074 0.000 0.266 453 H C 0.971 176.351 175.328 0.086 0.000 0.988 453 H CA 0.607 56.694 56.048 0.064 0.000 1.147 453 H CB 0.166 29.978 29.762 0.084 0.000 1.365 453 H HN 0.373 nan 8.280 nan 0.000 0.589 454 G N 0.234 109.176 108.800 0.237 0.000 2.782 454 G HA2 -0.221 3.783 3.960 0.073 0.000 0.228 454 G HA3 -0.221 3.783 3.960 0.073 0.000 0.228 454 G C -1.781 173.167 174.900 0.080 0.000 1.372 454 G CA -0.269 44.952 45.100 0.202 0.000 0.862 454 G HN 0.179 nan 8.290 nan 0.000 0.547 455 P HA 0.137 nan 4.420 nan 0.000 0.228 455 P C 1.979 179.172 177.300 -0.178 0.000 1.166 455 P CA 1.246 64.026 63.100 -0.533 0.000 0.812 455 P CB 0.177 31.445 31.700 -0.720 0.000 0.857 456 V N 0.334 120.198 119.914 -0.084 0.000 2.255 456 V HA -0.199 3.965 4.120 0.073 0.000 0.243 456 V C 2.794 178.882 176.094 -0.010 0.000 1.038 456 V CA 1.592 63.868 62.300 -0.039 0.000 1.008 456 V CB -1.204 30.603 31.823 -0.026 0.000 0.645 456 V HN 0.005 nan 8.190 nan 0.000 0.449 457 M N -0.654 118.961 119.600 0.024 0.000 2.088 457 M HA -0.260 4.264 4.480 0.073 0.000 0.256 457 M C 2.252 178.574 176.300 0.037 0.000 1.071 457 M CA 2.256 57.574 55.300 0.030 0.000 1.097 457 M CB -0.938 31.716 32.600 0.089 0.000 1.315 457 M HN 0.463 nan 8.290 nan 0.000 0.406 458 F N 1.041 120.985 119.950 -0.011 0.000 2.161 458 F HA -0.265 4.306 4.527 0.074 0.000 0.300 458 F C 1.937 177.724 175.800 -0.022 0.000 1.089 458 F CA 2.259 60.274 58.000 0.024 0.000 1.282 458 F CB -0.436 38.650 39.000 0.143 0.000 1.010 458 F HN 0.255 nan 8.300 nan 0.000 0.485 459 D N -0.602 119.779 120.400 -0.031 0.000 2.117 459 D HA -0.225 4.459 4.640 0.073 0.000 0.197 459 D C 2.411 178.608 176.300 -0.172 0.000 0.987 459 D CA 2.033 55.972 54.000 -0.102 0.000 0.829 459 D CB -0.436 40.344 40.800 -0.032 0.000 0.961 459 D HN 0.385 nan 8.370 nan 0.000 0.460 460 T N -1.510 112.960 114.554 -0.140 0.000 2.684 460 T HA -0.157 4.237 4.350 0.073 0.000 0.267 460 T C 2.058 176.619 174.700 -0.231 0.000 1.036 460 T CA 1.938 63.951 62.100 -0.145 0.000 1.148 460 T CB -0.746 68.065 68.868 -0.095 0.000 0.863 460 T HN 0.001 nan 8.240 nan 0.000 0.436 461 V N 1.647 121.371 119.914 -0.317 0.000 2.343 461 V HA -0.082 4.082 4.120 0.073 0.000 0.247 461 V C 2.931 178.692 176.094 -0.554 0.000 1.051 461 V CA 2.184 64.221 62.300 -0.438 0.000 1.036 461 V CB -0.890 30.714 31.823 -0.365 0.000 0.654 461 V HN 0.530 nan 8.190 nan 0.000 0.451 462 R N -0.253 119.868 120.500 -0.632 0.000 2.113 462 R HA -0.263 4.121 4.340 0.073 0.000 0.244 462 R C 2.424 178.566 176.300 -0.263 0.000 1.142 462 R CA 2.025 57.830 56.100 -0.491 0.000 0.953 462 R CB -0.189 29.825 30.300 -0.477 0.000 0.860 462 R HN 0.412 nan 8.270 nan 0.000 0.438 463 Q N 0.412 120.092 119.800 -0.199 0.000 2.079 463 Q HA -0.083 4.301 4.340 0.073 0.000 0.200 463 Q C 2.152 178.129 176.000 -0.039 0.000 0.974 463 Q CA 1.411 57.160 55.803 -0.090 0.000 0.840 463 Q CB -0.274 28.435 28.738 -0.050 0.000 0.898 463 Q HN 0.451 nan 8.270 nan 0.000 0.430 464 I N 0.389 120.902 120.570 -0.094 0.000 2.208 464 I HA -0.316 3.898 4.170 0.073 0.000 0.245 464 I C 2.129 178.190 176.117 -0.094 0.000 1.097 464 I CA 1.379 62.674 61.300 -0.010 0.000 1.363 464 I CB -0.361 37.417 38.000 -0.370 0.000 1.051 464 I HN 0.093 nan 8.210 nan 0.000 0.413 465 A N 0.516 123.107 122.820 -0.381 0.000 1.929 465 A HA -0.085 4.279 4.320 0.073 0.000 0.216 465 A C 2.281 179.889 177.584 0.040 0.000 1.176 465 A CA 1.191 53.101 52.037 -0.213 0.000 0.628 465 A CB -0.679 18.214 19.000 -0.177 0.000 0.816 465 A HN 0.364 nan 8.150 nan 0.000 0.444 466 I N -0.582 119.984 120.570 -0.007 0.000 2.142 466 I HA -0.253 3.961 4.170 0.073 0.000 0.240 466 I C 2.545 178.666 176.117 0.007 0.000 1.078 466 I CA 1.387 62.695 61.300 0.014 0.000 1.343 466 I CB -0.274 37.721 38.000 -0.008 0.000 1.046 466 I HN 0.230 nan 8.210 nan 0.000 0.405 467 K N 0.545 120.936 120.400 -0.015 0.000 2.059 467 K HA -0.238 4.126 4.320 0.073 0.000 0.212 467 K C 2.127 178.657 176.600 -0.118 0.000 1.050 467 K CA 2.436 58.650 56.287 -0.122 0.000 0.927 467 K CB -0.410 31.948 32.500 -0.237 0.000 0.714 467 K HN 0.343 nan 8.250 nan 0.000 0.447 468 T N 0.695 115.317 114.554 0.112 0.000 2.708 468 T HA -0.133 4.261 4.350 0.073 0.000 0.266 468 T C 1.891 176.679 174.700 0.147 0.000 1.037 468 T CA 1.448 63.697 62.100 0.248 0.000 1.146 468 T CB -0.260 68.965 68.868 0.595 0.000 0.865 468 T HN 0.385 nan 8.240 nan 0.000 0.435 469 A N 2.357 125.259 122.820 0.138 0.000 1.902 469 A HA -0.193 4.171 4.320 0.073 0.000 0.217 469 A C 2.415 180.037 177.584 0.063 0.000 1.181 469 A CA 1.801 53.905 52.037 0.111 0.000 0.623 469 A CB -0.620 18.442 19.000 0.103 0.000 0.818 469 A HN 0.706 nan 8.150 nan 0.000 0.443 470 Q N -0.920 118.891 119.800 0.020 0.000 2.123 470 Q HA -0.020 4.364 4.340 0.073 0.000 0.199 470 Q C 2.007 177.996 176.000 -0.018 0.000 0.966 470 Q CA 1.550 57.349 55.803 -0.005 0.000 0.845 470 Q CB -0.894 27.827 28.738 -0.027 0.000 0.907 470 Q HN 0.440 nan 8.270 nan 0.000 0.439 471 G N 1.550 110.318 108.800 -0.054 0.000 2.422 471 G HA2 -0.231 3.773 3.960 0.073 0.000 0.218 471 G HA3 -0.231 3.773 3.960 0.073 0.000 0.218 471 G C 1.156 176.066 174.900 0.017 0.000 1.146 471 G CA 0.738 45.801 45.100 -0.062 0.000 0.769 471 G HN 0.476 nan 8.290 nan 0.000 0.547 472 E N -0.317 119.924 120.200 0.068 0.000 2.476 472 E HA 0.269 4.663 4.350 0.073 0.000 0.199 472 E C 1.291 177.999 176.600 0.180 0.000 1.021 472 E CA 0.128 56.624 56.400 0.161 0.000 0.907 472 E CB 0.425 30.228 29.700 0.170 0.000 0.974 472 E HN 0.348 nan 8.360 nan 0.000 0.489 473 G N 2.311 111.173 108.800 0.103 0.000 2.324 473 G HA2 -0.262 3.742 3.960 0.073 0.000 0.292 473 G HA3 -0.262 3.742 3.960 0.073 0.000 0.292 473 G C -0.135 174.818 174.900 0.088 0.000 1.079 473 G CA 0.216 45.362 45.100 0.076 0.000 1.026 473 G HN 0.104 nan 8.290 nan 0.000 0.506 474 L N -1.250 120.033 121.223 0.101 0.000 2.303 474 L HA 0.869 5.253 4.340 0.073 0.000 0.266 474 L C 0.256 177.177 176.870 0.084 0.000 1.011 474 L CA -1.509 53.396 54.840 0.108 0.000 0.818 474 L CB 2.172 44.317 42.059 0.143 0.000 1.326 474 L HN 0.002 nan 8.230 nan 0.000 0.435 475 V N 2.310 122.272 119.914 0.080 0.000 2.540 475 V HA 0.573 4.737 4.120 0.073 0.000 0.302 475 V C -0.697 175.447 176.094 0.083 0.000 1.035 475 V CA -0.365 61.978 62.300 0.071 0.000 0.873 475 V CB 2.075 33.930 31.823 0.053 0.000 0.992 475 V HN 0.450 nan 8.190 nan 0.000 0.428 476 L N 5.408 126.683 121.223 0.086 0.000 2.436 476 L HA 0.557 4.940 4.340 0.073 0.000 0.268 476 L C 0.256 177.180 176.870 0.090 0.000 0.974 476 L CA -0.432 54.468 54.840 0.101 0.000 0.826 476 L CB 1.888 44.027 42.059 0.133 0.000 1.291 476 L HN 0.358 nan 8.230 nan 0.000 0.406 477 V N 1.667 121.631 119.914 0.084 0.000 2.672 477 V HA -0.017 4.147 4.120 0.073 0.000 0.242 477 V C 1.496 177.642 176.094 0.087 0.000 1.059 477 V CA 0.975 63.318 62.300 0.072 0.000 1.081 477 V CB 0.071 31.922 31.823 0.046 0.000 0.752 477 V HN 0.825 nan 8.190 nan 0.000 0.472 478 N N -0.001 118.758 118.700 0.099 0.000 2.654 478 N HA -0.116 4.668 4.740 0.073 0.000 0.204 478 N C 1.282 176.945 175.510 0.255 0.000 1.446 478 N CA 0.514 53.641 53.050 0.129 0.000 0.895 478 N CB 0.055 38.610 38.487 0.113 0.000 1.132 478 N HN 0.273 nan 8.380 nan 0.000 0.462 479 T N 0.353 115.030 114.554 0.205 0.000 2.995 479 T HA -0.071 4.323 4.350 0.073 0.000 0.269 479 T C 0.552 175.458 174.700 0.342 0.000 1.091 479 T CA 0.453 62.691 62.100 0.229 0.000 1.128 479 T CB -0.080 68.864 68.868 0.128 0.000 0.891 479 T HN 0.444 nan 8.240 nan 0.000 0.492 480 N N -0.163 118.694 118.700 0.262 0.000 2.443 480 N HA 0.046 4.830 4.740 0.073 0.000 0.295 480 N C 0.520 176.072 175.510 0.069 0.000 1.076 480 N CA -0.510 52.687 53.050 0.245 0.000 0.919 480 N CB 0.867 39.432 38.487 0.131 0.000 1.176 480 N HN 0.007 nan 8.380 nan 0.000 0.487 481 Y N 2.252 122.420 120.300 -0.219 0.000 2.069 481 Y HA -0.281 4.313 4.550 0.073 0.000 0.278 481 Y C 1.300 176.937 175.900 -0.439 0.000 1.175 481 Y CA 2.197 59.851 58.100 -0.743 0.000 1.134 481 Y CB -0.249 37.962 38.460 -0.416 0.000 0.965 481 Y HN 0.598 nan 8.280 nan 0.000 0.498 482 D N -0.708 119.540 120.400 -0.253 0.000 2.117 482 D HA -0.163 4.521 4.640 0.073 0.000 0.197 482 D C 2.128 178.256 176.300 -0.287 0.000 0.987 482 D CA 1.351 55.177 54.000 -0.290 0.000 0.829 482 D CB -0.187 40.540 40.800 -0.121 0.000 0.961 482 D HN 0.447 nan 8.370 nan 0.000 0.460 483 Q N -0.248 119.434 119.800 -0.197 0.000 2.269 483 Q HA 0.110 4.494 4.340 0.073 0.000 0.201 483 Q C 2.053 177.924 176.000 -0.215 0.000 0.946 483 Q CA 0.632 56.336 55.803 -0.164 0.000 0.877 483 Q CB 0.039 28.730 28.738 -0.079 0.000 0.963 483 Q HN 0.210 nan 8.270 nan 0.000 0.472 484 A N 0.898 123.561 122.820 -0.261 0.000 1.898 484 A HA -0.105 4.259 4.320 0.073 0.000 0.216 484 A C 2.180 179.525 177.584 -0.399 0.000 1.181 484 A CA 0.830 52.700 52.037 -0.279 0.000 0.620 484 A CB -0.608 18.284 19.000 -0.181 0.000 0.819 484 A HN 0.282 nan 8.150 nan 0.000 0.442 485 L N -0.822 120.071 121.223 -0.550 0.000 2.083 485 L HA -0.198 4.186 4.340 0.073 0.000 0.209 485 L C 3.049 179.698 176.870 -0.367 0.000 1.083 485 L CA 1.098 55.624 54.840 -0.524 0.000 0.752 485 L CB -0.478 41.161 42.059 -0.699 0.000 0.899 485 L HN 0.449 nan 8.230 nan 0.000 0.433 486 A N -0.571 122.050 122.820 -0.332 0.000 1.968 486 A HA -0.196 4.168 4.320 0.073 0.000 0.217 486 A C 2.438 179.852 177.584 -0.284 0.000 1.169 486 A CA 1.968 53.848 52.037 -0.263 0.000 0.638 486 A CB -0.735 18.140 19.000 -0.209 0.000 0.812 486 A HN 0.470 nan 8.150 nan 0.000 0.446 487 T N -2.864 111.474 114.554 -0.360 0.000 2.812 487 T HA -0.200 4.194 4.350 0.073 0.000 0.264 487 T C 1.818 175.975 174.700 -0.905 0.000 1.042 487 T CA 1.644 63.421 62.100 -0.539 0.000 1.140 487 T CB -0.481 68.090 68.868 -0.495 0.000 0.870 487 T HN 0.460 nan 8.240 nan 0.000 0.445 488 Y N 2.211 121.984 120.300 -0.879 0.000 2.181 488 Y HA -0.067 4.527 4.550 0.073 0.000 0.288 488 Y C 2.433 178.156 175.900 -0.297 0.000 1.146 488 Y CA 1.945 59.592 58.100 -0.756 0.000 1.164 488 Y CB -0.781 37.371 38.460 -0.513 0.000 0.982 488 Y HN 0.388 nan 8.280 nan 0.000 0.515 489 N N 0.091 118.726 118.700 -0.109 0.000 2.104 489 N HA -0.213 4.571 4.740 0.073 0.000 0.190 489 N C 1.886 177.381 175.510 -0.026 0.000 1.024 489 N CA 1.722 54.753 53.050 -0.032 0.000 0.853 489 N CB -0.505 37.918 38.487 -0.106 0.000 1.008 489 N HN 0.445 nan 8.380 nan 0.000 0.424 490 A N -0.187 122.565 122.820 -0.113 0.000 1.902 490 A HA -0.117 4.247 4.320 0.073 0.000 0.217 490 A C 1.749 179.371 177.584 0.064 0.000 1.181 490 A CA 1.256 53.267 52.037 -0.044 0.000 0.623 490 A CB -1.104 17.852 19.000 -0.073 0.000 0.818 490 A HN 0.498 nan 8.150 nan 0.000 0.443 491 W N -0.860 120.340 121.300 -0.165 0.000 2.301 491 W HA -0.228 4.476 4.660 0.073 0.000 0.325 491 W C 2.125 178.524 176.519 -0.199 0.000 1.250 491 W CA 0.961 58.169 57.345 -0.228 0.000 1.261 491 W CB -1.793 27.419 29.460 -0.413 0.000 1.157 491 W HN 0.408 nan 8.180 nan 0.000 0.473 492 F N 1.225 121.103 119.950 -0.120 0.000 2.051 492 F HA -0.210 4.361 4.527 0.073 0.000 0.296 492 F C 2.417 178.197 175.800 -0.033 0.000 1.122 492 F CA 2.538 60.475 58.000 -0.105 0.000 1.201 492 F CB -0.816 38.147 39.000 -0.061 0.000 0.978 492 F HN -0.130 nan 8.300 nan 0.000 0.472 493 I N -2.400 118.212 120.570 0.072 0.000 2.928 493 I HA 0.142 4.356 4.170 0.073 0.000 0.266 493 I C 2.067 178.156 176.117 -0.047 0.000 1.234 493 I CA 1.335 62.632 61.300 -0.005 0.000 1.483 493 I CB -1.207 36.830 38.000 0.062 0.000 1.097 493 I HN 0.157 nan 8.210 nan 0.000 0.455 494 G N 0.859 109.641 108.800 -0.031 0.000 2.662 494 G HA2 0.231 4.235 3.960 0.073 0.000 0.212 494 G HA3 0.231 4.235 3.960 0.073 0.000 0.212 494 G C 1.381 176.249 174.900 -0.054 0.000 1.141 494 G CA 0.401 45.485 45.100 -0.027 0.000 0.797 494 G HN 0.704 nan 8.290 nan 0.000 0.531 495 G N 0.117 108.861 108.800 -0.093 0.000 2.198 495 G HA2 -0.257 3.747 3.960 0.073 0.000 0.260 495 G HA3 -0.257 3.747 3.960 0.073 0.000 0.260 495 G C 0.445 175.293 174.900 -0.087 0.000 1.025 495 G CA 0.760 45.796 45.100 -0.106 0.000 0.769 495 G HN 0.812 nan 8.290 nan 0.000 0.507 496 T N 0.000 114.516 114.554 -0.063 0.000 3.816 496 T HA 0.000 4.394 4.350 0.073 0.000 0.228 496 T CA 0.000 62.058 62.100 -0.070 0.000 1.349 496 T CB 0.000 68.899 68.868 0.052 0.000 0.612 496 T HN 0.000 nan 8.240 nan 0.000 0.658