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 2ppg_1_D DATA FIRST_RESID 2 DATA SEQUENCE SDRVKKIESF TLTLPRXXXX XGKPRPGEEP NGRGYLVRKA NRTVYPTFDR DATA SEQUENCE SVLVRIETEN GAVGWGETYG LVAPRATXEI IDDLLADFTI GRDPFDAAAI DATA SEQUENCE HDDLYDLXRV RGYTGGFYVD ALAAIDIALW DLAGKLAGLP VCKLLGGQRR DATA SEQUENCE DRIAAYISGL PEDTRAKRAE LAAAWQAKGF SSFKFASPVA DDGVAKEXEI DATA SEQUENCE LRERLGPAVR IACDXHWAHT ASEAVALIKA XEPHGLWFAE APVRTEDIDG DATA SEQUENCE LARVAASVST AIAVGEEWRT VHDXVPRVAR RALAIVQPEX GHKGITQFXR DATA SEQUENCE IGAYAHVHHI KVIPHATIGA GIFLAASLQA SAALANVDCH EFQHSIFEPN DATA SEQUENCE RRLLVGDXDC LNGEYVVPTG PGLGVEPSKE AQGLLKKH 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.630 174.600 0.050 0.000 1.055 2 S CA 0.000 58.230 58.200 0.049 0.000 1.107 2 S CB 0.000 63.224 63.200 0.040 0.000 0.593 3 D N 2.757 123.196 120.400 0.065 0.000 2.372 3 D HA 0.430 5.071 4.640 0.000 0.000 0.243 3 D C 0.024 176.332 176.300 0.014 0.000 1.121 3 D CA 0.214 54.233 54.000 0.032 0.000 0.898 3 D CB 0.573 41.388 40.800 0.025 0.000 1.202 3 D HN 0.407 nan 8.370 nan 0.000 0.428 4 R N 1.652 122.147 120.500 -0.009 0.000 2.795 4 R HA 0.383 4.723 4.340 0.000 0.000 0.275 4 R C -0.885 175.391 176.300 -0.040 0.000 0.981 4 R CA -1.048 55.039 56.100 -0.021 0.000 0.917 4 R CB 1.205 31.497 30.300 -0.012 0.000 1.202 4 R HN 0.192 nan 8.270 nan 0.000 0.469 5 V N 3.118 123.003 119.914 -0.050 0.000 2.557 5 V HA -0.042 4.078 4.120 0.000 0.000 0.301 5 V C 1.653 177.719 176.094 -0.047 0.000 1.026 5 V CA 0.843 63.110 62.300 -0.057 0.000 1.137 5 V CB 0.647 32.437 31.823 -0.055 0.000 0.917 5 V HN 0.727 nan 8.190 nan 0.000 0.484 6 K N 4.075 124.445 120.400 -0.050 0.000 2.344 6 K HA 0.250 4.570 4.320 0.000 0.000 0.200 6 K C 0.684 177.256 176.600 -0.047 0.000 1.132 6 K CA 0.132 56.393 56.287 -0.044 0.000 0.935 6 K CB 0.480 32.958 32.500 -0.038 0.000 1.089 6 K HN 0.551 nan 8.250 nan 0.000 0.496 7 K N 1.151 121.518 120.400 -0.054 0.000 2.468 7 K HA 0.405 4.726 4.320 0.000 0.000 0.252 7 K C -1.607 174.954 176.600 -0.064 0.000 0.932 7 K CA -0.604 55.651 56.287 -0.054 0.000 0.794 7 K CB 1.761 34.233 32.500 -0.047 0.000 1.241 7 K HN 0.044 nan 8.250 nan 0.000 0.428 8 I N 3.253 123.788 120.570 -0.057 0.000 2.478 8 I HA 0.266 4.436 4.170 0.000 0.000 0.287 8 I C -0.865 175.214 176.117 -0.063 0.000 1.042 8 I CA -0.596 60.669 61.300 -0.059 0.000 1.067 8 I CB 2.100 40.074 38.000 -0.043 0.000 1.233 8 I HN 0.490 nan 8.210 nan 0.000 0.431 9 E N 4.467 124.626 120.200 -0.069 0.000 2.238 9 E HA 0.620 4.970 4.350 0.000 0.000 0.267 9 E C -1.114 175.364 176.600 -0.203 0.000 0.887 9 E CA -0.910 55.389 56.400 -0.169 0.000 0.769 9 E CB 2.214 31.794 29.700 -0.199 0.000 1.187 9 E HN 0.561 nan 8.360 nan 0.000 0.416 10 S N 1.438 116.932 115.700 -0.343 0.000 2.532 10 S HA 0.760 5.230 4.470 0.000 0.000 0.301 10 S C -0.804 173.517 174.600 -0.466 0.000 1.083 10 S CA -0.839 57.239 58.200 -0.204 0.000 1.025 10 S CB 0.703 63.866 63.200 -0.061 0.000 1.056 10 S HN 0.390 nan 8.310 nan 0.000 0.494 11 F N 0.044 120.073 119.950 0.131 0.000 2.613 11 F HA 0.649 5.176 4.527 0.000 0.000 0.314 11 F C 0.528 176.394 175.800 0.110 0.000 1.075 11 F CA -0.893 57.187 58.000 0.134 0.000 0.945 11 F CB 2.162 41.253 39.000 0.153 0.000 1.310 11 F HN 0.723 nan 8.300 nan 0.000 0.467 12 T N 0.199 114.926 114.554 0.287 0.000 2.929 12 T HA 0.756 5.106 4.350 0.000 0.000 0.284 12 T C -1.334 173.455 174.700 0.149 0.000 1.014 12 T CA -0.703 61.505 62.100 0.179 0.000 1.051 12 T CB 1.908 70.844 68.868 0.113 0.000 1.028 12 T HN 0.521 nan 8.240 nan 0.000 0.485 13 L N 1.387 122.657 121.223 0.078 0.000 2.410 13 L HA 0.604 4.944 4.340 0.000 0.000 0.270 13 L C -0.467 176.400 176.870 -0.005 0.000 0.983 13 L CA -0.310 54.545 54.840 0.025 0.000 0.822 13 L CB 2.290 44.338 42.059 -0.019 0.000 1.285 13 L HN 0.904 nan 8.230 nan 0.000 0.409 14 T N 5.780 120.333 114.554 -0.003 0.000 2.728 14 T HA 0.506 4.856 4.350 0.000 0.000 0.296 14 T C -0.050 174.643 174.700 -0.011 0.000 0.940 14 T CA -0.386 61.710 62.100 -0.006 0.000 1.013 14 T CB 0.377 69.271 68.868 0.043 0.000 0.912 14 T HN 0.264 nan 8.240 nan 0.000 0.484 15 L N 4.899 126.109 121.223 -0.021 0.000 2.454 15 L HA 0.490 4.830 4.340 0.000 0.000 0.256 15 L C -1.482 175.386 176.870 -0.003 0.000 1.136 15 L CA -2.403 52.417 54.840 -0.033 0.000 0.804 15 L CB -0.628 41.401 42.059 -0.051 0.000 1.181 15 L HN 0.384 nan 8.230 nan 0.000 0.469 16 P HA 0.302 nan 4.420 nan 0.000 0.306 16 P C -0.347 176.968 177.300 0.025 0.000 1.301 16 P CA -0.377 62.726 63.100 0.006 0.000 0.744 16 P CB 0.570 32.263 31.700 -0.012 0.000 1.400 24 K N -0.759 119.627 120.400 -0.023 0.000 3.372 24 K HA -0.048 4.272 4.320 0.000 0.000 0.272 24 K C -1.657 174.930 176.600 -0.022 0.000 1.037 24 K CA 1.223 57.501 56.287 -0.014 0.000 0.777 24 K CB -2.729 29.767 32.500 -0.006 0.000 1.347 24 K HN 0.977 nan 8.250 nan 0.000 0.460 25 P HA 0.533 nan 4.420 nan 0.000 0.271 25 P C 0.698 177.996 177.300 -0.004 0.000 1.216 25 P CA 0.137 63.224 63.100 -0.022 0.000 0.771 25 P CB 0.904 32.595 31.700 -0.015 0.000 0.864 26 R N 3.667 124.168 120.500 0.001 0.000 2.738 26 R HA 0.347 4.687 4.340 0.000 0.000 0.268 26 R C -2.335 173.973 176.300 0.013 0.000 1.062 26 R CA -1.256 54.849 56.100 0.008 0.000 1.158 26 R CB -1.917 28.390 30.300 0.010 0.000 1.046 26 R HN 0.466 nan 8.270 nan 0.000 0.493 27 P HA 0.305 nan 4.420 nan 0.000 0.269 27 P C 0.952 178.263 177.300 0.020 0.000 1.209 27 P CA 1.322 64.431 63.100 0.015 0.000 0.776 27 P CB 1.244 32.951 31.700 0.012 0.000 0.876 28 G N 1.997 110.811 108.800 0.023 0.000 2.659 28 G HA2 -0.243 3.717 3.960 0.000 0.000 0.212 28 G HA3 -0.243 3.717 3.960 0.000 0.000 0.212 28 G C 0.130 175.052 174.900 0.037 0.000 1.226 28 G CA -0.350 44.767 45.100 0.028 0.000 0.739 28 G HN 0.578 nan 8.290 nan 0.000 0.528 29 E N 2.888 123.112 120.200 0.040 0.000 2.467 29 E HA 0.348 4.698 4.350 0.000 0.000 0.321 29 E C 0.378 177.011 176.600 0.054 0.000 1.388 29 E CA 0.457 56.889 56.400 0.054 0.000 1.508 29 E CB -0.310 29.420 29.700 0.051 0.000 1.250 29 E HN 0.787 nan 8.360 nan 0.000 0.500 30 E N 0.769 120.999 120.200 0.051 0.000 2.222 30 E HA 0.405 4.755 4.350 0.000 0.000 0.272 30 E C -2.377 174.259 176.600 0.059 0.000 0.982 30 E CA -2.689 53.739 56.400 0.045 0.000 0.842 30 E CB 0.631 30.348 29.700 0.029 0.000 1.144 30 E HN -0.092 nan 8.360 nan 0.000 0.397 31 P HA -0.016 nan 4.420 nan 0.000 0.271 31 P C -0.872 176.453 177.300 0.042 0.000 1.216 31 P CA -0.271 62.863 63.100 0.058 0.000 0.776 31 P CB 0.567 32.275 31.700 0.014 0.000 0.881 32 N N 1.381 120.122 118.700 0.068 0.000 2.385 32 N HA 0.060 4.801 4.740 0.000 0.000 0.291 32 N C 1.663 177.184 175.510 0.017 0.000 1.298 32 N CA 0.132 53.215 53.050 0.056 0.000 0.955 32 N CB -1.251 37.294 38.487 0.097 0.000 1.096 32 N HN 0.374 nan 8.380 nan 0.000 0.543 33 G N -1.518 107.296 108.800 0.025 0.000 2.501 33 G HA2 -0.211 3.750 3.960 0.000 0.000 0.220 33 G HA3 -0.211 3.750 3.960 0.000 0.000 0.220 33 G C 1.066 175.950 174.900 -0.027 0.000 1.114 33 G CA 0.385 45.486 45.100 0.002 0.000 0.757 33 G HN 0.568 nan 8.290 nan 0.000 0.559 34 R N -1.009 119.473 120.500 -0.029 0.000 2.543 34 R HA 0.303 4.643 4.340 0.000 0.000 0.323 34 R C 1.371 177.488 176.300 -0.305 0.000 1.002 34 R CA 0.378 56.418 56.100 -0.100 0.000 1.106 34 R CB 0.745 31.051 30.300 0.010 0.000 1.280 34 R HN 0.292 nan 8.270 nan 0.000 0.549 35 G N 0.624 109.270 108.800 -0.257 0.000 2.141 35 G HA2 -0.277 3.683 3.960 0.000 0.000 0.231 35 G HA3 -0.277 3.683 3.960 0.000 0.000 0.231 35 G C -0.478 174.333 174.900 -0.148 0.000 0.984 35 G CA -0.221 44.685 45.100 -0.323 0.000 0.660 35 G HN 0.199 nan 8.290 nan 0.000 0.525 36 Y N 0.914 121.306 120.300 0.153 0.000 2.360 36 Y HA 0.756 5.306 4.550 0.000 0.000 0.337 36 Y C 0.678 176.661 175.900 0.137 0.000 1.039 36 Y CA -1.400 56.804 58.100 0.174 0.000 1.109 36 Y CB 1.377 39.930 38.460 0.155 0.000 1.201 36 Y HN 0.358 nan 8.280 nan 0.000 0.458 37 L N 1.044 122.472 121.223 0.340 0.000 2.283 37 L HA 0.958 5.298 4.340 0.000 0.000 0.259 37 L C -1.463 175.566 176.870 0.265 0.000 1.027 37 L CA -1.252 53.733 54.840 0.241 0.000 0.828 37 L CB 1.529 43.697 42.059 0.181 0.000 1.380 37 L HN 0.352 nan 8.230 nan 0.000 0.425 38 V N 0.758 120.795 119.914 0.205 0.000 2.656 38 V HA 0.555 4.675 4.120 0.000 0.000 0.307 38 V C -0.049 176.156 176.094 0.185 0.000 1.051 38 V CA -0.614 61.808 62.300 0.204 0.000 0.893 38 V CB 2.029 33.929 31.823 0.127 0.000 0.999 38 V HN 0.738 nan 8.190 nan 0.000 0.426 39 R N 2.013 122.654 120.500 0.235 0.000 2.254 39 R HA 0.317 4.657 4.340 0.000 0.000 0.318 39 R C 0.737 177.112 176.300 0.125 0.000 1.031 39 R CA -0.662 55.534 56.100 0.160 0.000 0.905 39 R CB 1.315 31.723 30.300 0.181 0.000 1.050 39 R HN 0.594 nan 8.270 nan 0.000 0.456 40 K N 2.961 123.411 120.400 0.083 0.000 2.209 40 K HA -0.111 4.209 4.320 0.000 0.000 0.204 40 K C 1.687 178.326 176.600 0.065 0.000 1.048 40 K CA 1.682 58.008 56.287 0.065 0.000 0.940 40 K CB -0.008 32.521 32.500 0.048 0.000 0.729 40 K HN 0.699 nan 8.250 nan 0.000 0.451 41 A N 1.196 124.056 122.820 0.065 0.000 1.933 41 A HA -0.159 4.161 4.320 0.000 0.000 0.218 41 A C 1.440 179.076 177.584 0.086 0.000 1.175 41 A CA 1.918 53.989 52.037 0.057 0.000 0.628 41 A CB -0.499 18.520 19.000 0.033 0.000 0.814 41 A HN 0.639 nan 8.150 nan 0.000 0.444 42 N N -2.973 115.807 118.700 0.134 0.000 2.160 42 N HA 0.033 4.773 4.740 0.000 0.000 0.226 42 N C 0.257 175.847 175.510 0.135 0.000 1.256 42 N CA 0.246 53.405 53.050 0.182 0.000 0.890 42 N CB 0.160 38.846 38.487 0.331 0.000 1.116 42 N HN 0.344 nan 8.380 nan 0.000 0.517 43 R N -1.110 119.456 120.500 0.109 0.000 4.000 43 R HA -0.120 4.220 4.340 0.000 0.000 0.362 43 R C -0.739 175.593 176.300 0.054 0.000 1.183 43 R CA 1.246 57.388 56.100 0.069 0.000 1.011 43 R CB -3.119 27.200 30.300 0.033 0.000 1.501 43 R HN 0.339 nan 8.270 nan 0.000 0.553 44 T N 0.887 115.502 114.554 0.101 0.000 2.829 44 T HA 0.438 4.789 4.350 0.000 0.000 0.282 44 T C 0.233 174.911 174.700 -0.037 0.000 0.990 44 T CA -0.466 61.623 62.100 -0.018 0.000 1.028 44 T CB 2.629 71.464 68.868 -0.055 0.000 0.951 44 T HN 0.077 nan 8.240 nan 0.000 0.460 45 V N 4.118 123.931 119.914 -0.169 0.000 2.732 45 V HA 0.504 4.625 4.120 0.000 0.000 0.297 45 V C -1.396 174.536 176.094 -0.269 0.000 1.060 45 V CA -0.073 62.175 62.300 -0.087 0.000 1.038 45 V CB 0.356 32.113 31.823 -0.111 0.000 1.003 45 V HN 0.819 nan 8.190 nan 0.000 0.481 46 Y N 5.536 125.938 120.300 0.170 0.000 2.553 46 Y HA 0.588 5.138 4.550 0.000 0.000 0.347 46 Y C -2.338 173.794 175.900 0.386 0.000 1.019 46 Y CA -2.239 55.996 58.100 0.225 0.000 1.032 46 Y CB 2.511 41.081 38.460 0.183 0.000 1.284 46 Y HN 0.479 nan 8.280 nan 0.000 0.466 47 P HA 0.131 nan 4.420 nan 0.000 0.286 47 P C 0.347 177.925 177.300 0.463 0.000 1.261 47 P CA -0.404 63.045 63.100 0.581 0.000 0.821 47 P CB 1.767 33.730 31.700 0.438 0.000 1.013 48 T N -0.700 114.104 114.554 0.417 0.000 2.904 48 T HA -0.000 4.350 4.350 0.000 0.000 0.267 48 T C 0.763 175.675 174.700 0.353 0.000 1.059 48 T CA 0.657 62.910 62.100 0.255 0.000 1.137 48 T CB -0.918 67.974 68.868 0.040 0.000 0.879 48 T HN 0.527 nan 8.240 nan 0.000 0.467 49 F N 1.185 121.167 119.950 0.053 0.000 2.375 49 F HA 0.638 5.165 4.527 0.000 0.000 0.361 49 F C -1.104 174.740 175.800 0.073 0.000 1.117 49 F CA -1.847 56.181 58.000 0.046 0.000 1.037 49 F CB 0.835 39.847 39.000 0.021 0.000 1.192 49 F HN -0.255 nan 8.300 nan 0.000 0.452 50 D N 4.512 124.981 120.400 0.114 0.000 2.417 50 D HA 0.226 4.866 4.640 0.000 0.000 0.250 50 D C -0.116 176.139 176.300 -0.073 0.000 1.166 50 D CA 0.365 54.375 54.000 0.017 0.000 0.881 50 D CB 1.086 41.910 40.800 0.040 0.000 1.164 50 D HN 0.648 nan 8.370 nan 0.000 0.467 51 R N 0.735 121.173 120.500 -0.104 0.000 2.750 51 R HA 0.593 4.934 4.340 0.000 0.000 0.281 51 R C -0.451 175.834 176.300 -0.024 0.000 0.972 51 R CA -0.799 55.245 56.100 -0.094 0.000 0.912 51 R CB 1.880 32.082 30.300 -0.163 0.000 1.187 51 R HN 0.485 nan 8.270 nan 0.000 0.464 52 S N -0.163 115.542 115.700 0.009 0.000 2.632 52 S HA 0.573 5.043 4.470 0.000 0.000 0.289 52 S C -0.764 173.903 174.600 0.112 0.000 1.115 52 S CA -0.847 57.397 58.200 0.073 0.000 0.889 52 S CB 1.961 65.206 63.200 0.075 0.000 1.116 52 S HN 0.201 nan 8.310 nan 0.000 0.486 53 V N 1.923 121.939 119.914 0.170 0.000 2.398 53 V HA 0.500 4.620 4.120 0.000 0.000 0.286 53 V C -0.872 175.359 176.094 0.228 0.000 1.026 53 V CA -0.520 61.892 62.300 0.187 0.000 0.868 53 V CB 0.984 32.910 31.823 0.173 0.000 0.982 53 V HN 0.764 nan 8.190 nan 0.000 0.443 54 L N 5.422 126.813 121.223 0.280 0.000 2.331 54 L HA 0.662 5.003 4.340 0.000 0.000 0.275 54 L C -0.283 176.841 176.870 0.423 0.000 1.022 54 L CA -0.282 54.772 54.840 0.356 0.000 0.812 54 L CB 2.049 44.332 42.059 0.374 0.000 1.257 54 L HN 0.348 nan 8.230 nan 0.000 0.435 55 V N 2.694 122.828 119.914 0.367 0.000 2.487 55 V HA 0.527 4.647 4.120 0.000 0.000 0.298 55 V C -0.326 175.829 176.094 0.100 0.000 1.028 55 V CA -0.736 61.708 62.300 0.239 0.000 0.860 55 V CB 1.845 33.751 31.823 0.138 0.000 0.991 55 V HN 0.671 nan 8.190 nan 0.000 0.427 56 R N 5.414 125.883 120.500 -0.052 0.000 2.310 56 R HA 0.645 4.985 4.340 0.000 0.000 0.324 56 R C -1.344 174.765 176.300 -0.318 0.000 0.955 56 R CA -0.479 55.280 56.100 -0.568 0.000 0.830 56 R CB 0.944 30.786 30.300 -0.763 0.000 1.154 56 R HN 0.694 nan 8.270 nan 0.000 0.458 57 I N 3.348 123.714 120.570 -0.340 0.000 2.378 57 I HA 0.288 4.458 4.170 0.000 0.000 0.291 57 I C -0.183 175.806 176.117 -0.214 0.000 0.992 57 I CA -0.578 60.600 61.300 -0.204 0.000 1.154 57 I CB 1.925 39.845 38.000 -0.134 0.000 1.315 57 I HN 0.580 nan 8.210 nan 0.000 0.448 58 E N 4.669 124.779 120.200 -0.151 0.000 2.199 58 E HA 0.421 4.771 4.350 0.000 0.000 0.269 58 E C -0.598 175.951 176.600 -0.086 0.000 0.899 58 E CA -0.605 55.724 56.400 -0.118 0.000 0.772 58 E CB 1.734 31.378 29.700 -0.093 0.000 1.155 58 E HN 0.682 nan 8.360 nan 0.000 0.408 59 T N 0.562 115.072 114.554 -0.075 0.000 2.902 59 T HA 0.210 4.560 4.350 0.000 0.000 0.280 59 T C 0.999 175.675 174.700 -0.040 0.000 0.992 59 T CA -0.480 61.585 62.100 -0.059 0.000 1.015 59 T CB 1.230 70.063 68.868 -0.059 0.000 1.044 59 T HN 0.560 nan 8.240 nan 0.000 0.520 60 E N 0.727 120.908 120.200 -0.031 0.000 2.114 60 E HA -0.210 4.140 4.350 0.000 0.000 0.199 60 E C 1.618 178.209 176.600 -0.015 0.000 1.008 60 E CA 1.417 57.805 56.400 -0.020 0.000 0.810 60 E CB -0.162 29.529 29.700 -0.015 0.000 0.739 60 E HN 0.534 nan 8.360 nan 0.000 0.456 61 N N -0.796 117.897 118.700 -0.012 0.000 2.521 61 N HA -0.007 4.733 4.740 0.000 0.000 0.188 61 N C 0.941 176.447 175.510 -0.007 0.000 1.146 61 N CA 1.032 54.079 53.050 -0.005 0.000 0.893 61 N CB 1.068 39.556 38.487 0.002 0.000 0.975 61 N HN 0.332 nan 8.380 nan 0.000 0.451 62 G N -0.689 108.101 108.800 -0.016 0.000 2.159 62 G HA2 -0.202 3.758 3.960 0.000 0.000 0.227 62 G HA3 -0.202 3.758 3.960 0.000 0.000 0.227 62 G C 0.199 175.088 174.900 -0.018 0.000 0.986 62 G CA 0.053 45.145 45.100 -0.015 0.000 0.651 62 G HN 0.591 nan 8.290 nan 0.000 0.523 63 A N -0.300 122.505 122.820 -0.025 0.000 2.388 63 A HA 0.716 5.036 4.320 0.000 0.000 0.257 63 A C 0.249 177.796 177.584 -0.061 0.000 1.095 63 A CA 0.337 52.355 52.037 -0.031 0.000 0.791 63 A CB 1.182 20.163 19.000 -0.032 0.000 1.029 63 A HN 1.182 nan 8.150 nan 0.000 0.489 64 V N 1.969 121.847 119.914 -0.060 0.000 2.483 64 V HA 0.651 4.771 4.120 0.000 0.000 0.297 64 V C 0.675 176.682 176.094 -0.144 0.000 1.027 64 V CA -0.007 62.214 62.300 -0.132 0.000 0.855 64 V CB 1.657 33.420 31.823 -0.101 0.000 0.995 64 V HN 1.211 nan 8.190 nan 0.000 0.424 65 G N 2.880 111.535 108.800 -0.241 0.000 2.420 65 G HA2 0.650 4.610 3.960 0.000 0.000 0.331 65 G HA3 0.650 4.610 3.960 0.000 0.000 0.331 65 G C -1.854 172.848 174.900 -0.330 0.000 1.168 65 G CA -0.550 44.453 45.100 -0.162 0.000 0.936 65 G HN 0.585 nan 8.290 nan 0.000 0.479 66 W N 0.230 121.542 121.300 0.020 0.000 2.587 66 W HA 0.635 5.295 4.660 0.000 0.000 0.324 66 W C 0.347 176.894 176.519 0.046 0.000 1.040 66 W CA -0.451 56.910 57.345 0.025 0.000 1.222 66 W CB 2.840 32.294 29.460 -0.010 0.000 1.381 66 W HN 0.807 nan 8.180 nan 0.000 0.483 67 G N 1.385 110.379 108.800 0.323 0.000 2.574 67 G HA2 0.685 4.645 3.960 0.000 0.000 0.299 67 G HA3 0.685 4.645 3.960 0.000 0.000 0.299 67 G C -1.918 173.151 174.900 0.282 0.000 1.298 67 G CA -0.597 44.655 45.100 0.253 0.000 0.952 67 G HN 0.381 nan 8.290 nan 0.000 0.477 68 E N -0.949 119.426 120.200 0.290 0.000 2.366 68 E HA 0.635 4.985 4.350 0.000 0.000 0.278 68 E C -1.313 175.571 176.600 0.473 0.000 0.923 68 E CA -0.591 56.024 56.400 0.358 0.000 0.761 68 E CB 2.756 32.611 29.700 0.258 0.000 1.231 68 E HN 0.546 nan 8.360 nan 0.000 0.443 69 T N 0.784 115.584 114.554 0.409 0.000 2.681 69 T HA 0.362 4.712 4.350 0.000 0.000 0.296 69 T C -1.406 173.473 174.700 0.299 0.000 1.157 69 T CA -0.473 61.785 62.100 0.264 0.000 1.025 69 T CB 0.240 69.227 68.868 0.199 0.000 1.441 69 T HN 0.331 nan 8.240 nan 0.000 0.504 70 Y N 0.455 120.744 120.300 -0.019 0.000 2.597 70 Y HA 0.431 4.981 4.550 0.000 0.000 0.336 70 Y C 1.486 177.444 175.900 0.097 0.000 1.216 70 Y CA 0.997 59.112 58.100 0.025 0.000 1.463 70 Y CB 0.607 39.051 38.460 -0.027 0.000 1.303 70 Y HN 0.734 nan 8.280 nan 0.000 0.576 71 G N 2.431 111.347 108.800 0.192 0.000 4.530 71 G HA2 0.119 4.079 3.960 0.000 0.000 0.284 71 G HA3 0.119 4.079 3.960 0.000 0.000 0.284 71 G C 0.786 175.760 174.900 0.123 0.000 1.008 71 G CA -0.227 44.971 45.100 0.163 0.000 0.770 71 G HN 0.510 nan 8.290 nan 0.000 0.424 72 L N 0.509 121.820 121.223 0.145 0.000 1.989 72 L HA 0.082 4.422 4.340 0.000 0.000 0.211 72 L C 1.096 178.075 176.870 0.182 0.000 1.071 72 L CA 1.495 56.415 54.840 0.132 0.000 0.749 72 L CB -0.394 41.764 42.059 0.166 0.000 0.890 72 L HN 0.066 nan 8.230 nan 0.000 0.431 73 V N -1.198 118.826 119.914 0.184 0.000 2.487 73 V HA 0.639 4.759 4.120 0.000 0.000 0.298 73 V C 0.421 176.674 176.094 0.265 0.000 1.028 73 V CA -0.896 61.498 62.300 0.157 0.000 0.860 73 V CB 1.155 32.954 31.823 -0.039 0.000 0.991 73 V HN 0.384 nan 8.190 nan 0.000 0.427 74 A N 6.300 129.275 122.820 0.258 0.000 2.640 74 A HA -0.107 4.213 4.320 0.000 0.000 0.300 74 A C -0.642 177.048 177.584 0.176 0.000 1.499 74 A CA 0.832 52.982 52.037 0.188 0.000 0.759 74 A CB -1.365 17.678 19.000 0.071 0.000 1.048 74 A HN 0.751 nan 8.150 nan 0.000 0.450 75 P HA -0.204 nan 4.420 nan 0.000 0.220 75 P C 1.287 178.625 177.300 0.064 0.000 1.144 75 P CA 1.412 64.601 63.100 0.148 0.000 0.800 75 P CB -0.094 31.672 31.700 0.110 0.000 0.772 76 R N -0.313 120.211 120.500 0.040 0.000 2.237 76 R HA 0.059 4.399 4.340 0.000 0.000 0.219 76 R C 2.367 178.596 176.300 -0.118 0.000 1.080 76 R CA 1.026 57.105 56.100 -0.035 0.000 0.995 76 R CB -0.639 29.713 30.300 0.086 0.000 0.875 76 R HN 0.176 nan 8.270 nan 0.000 0.462 77 A N 0.812 123.569 122.820 -0.106 0.000 1.897 77 A HA -0.017 4.303 4.320 0.000 0.000 0.215 77 A C 1.266 178.765 177.584 -0.141 0.000 1.181 77 A CA 0.924 52.837 52.037 -0.206 0.000 0.620 77 A CB -0.311 18.398 19.000 -0.486 0.000 0.821 77 A HN 0.177 nan 8.150 nan 0.000 0.443 81 I N 1.616 122.154 120.570 -0.054 0.000 2.179 81 I HA -0.207 3.963 4.170 0.000 0.000 0.242 81 I C 2.182 178.290 176.117 -0.014 0.000 1.088 81 I CA 1.470 62.763 61.300 -0.011 0.000 1.357 81 I CB -0.326 37.682 38.000 0.013 0.000 1.051 81 I HN 0.187 nan 8.210 nan 0.000 0.409 82 I N 0.788 121.337 120.570 -0.036 0.000 2.099 82 I HA -0.319 3.851 4.170 0.000 0.000 0.239 82 I C 2.086 178.201 176.117 -0.003 0.000 1.066 82 I CA 1.609 62.895 61.300 -0.024 0.000 1.324 82 I CB -0.545 37.438 38.000 -0.028 0.000 1.037 82 I HN 0.226 nan 8.210 nan 0.000 0.401 83 D N 0.083 120.481 120.400 -0.003 0.000 2.178 83 D HA -0.188 4.452 4.640 0.000 0.000 0.202 83 D C 1.676 177.994 176.300 0.031 0.000 0.974 83 D CA 1.373 55.390 54.000 0.027 0.000 0.841 83 D CB -0.281 40.581 40.800 0.103 0.000 0.953 83 D HN 0.414 nan 8.370 nan 0.000 0.478 84 D N -1.308 119.114 120.400 0.037 0.000 2.355 84 D HA 0.013 4.653 4.640 0.000 0.000 0.206 84 D C 1.497 177.830 176.300 0.056 0.000 1.010 84 D CA 0.216 54.239 54.000 0.038 0.000 0.875 84 D CB 0.452 41.273 40.800 0.036 0.000 0.966 84 D HN 0.108 nan 8.370 nan 0.000 0.512 85 L N -0.985 120.284 121.223 0.077 0.000 2.691 85 L HA 0.351 4.692 4.340 0.000 0.000 0.185 85 L C 1.430 178.434 176.870 0.224 0.000 1.081 85 L CA 0.201 55.137 54.840 0.159 0.000 0.865 85 L CB -0.472 41.667 42.059 0.133 0.000 1.370 85 L HN -0.058 nan 8.230 nan 0.000 0.488 86 L N 0.625 121.924 121.223 0.127 0.000 2.141 86 L HA -0.072 4.268 4.340 0.000 0.000 0.209 86 L C 2.687 179.628 176.870 0.118 0.000 1.094 86 L CA 1.107 56.021 54.840 0.124 0.000 0.763 86 L CB -0.974 41.093 42.059 0.013 0.000 0.908 86 L HN 0.460 nan 8.230 nan 0.000 0.437 87 A N 0.538 123.392 122.820 0.056 0.000 1.873 87 A HA -0.264 4.057 4.320 0.000 0.000 0.218 87 A C 1.909 179.480 177.584 -0.021 0.000 1.193 87 A CA 2.270 54.312 52.037 0.009 0.000 0.629 87 A CB -0.626 18.365 19.000 -0.015 0.000 0.826 87 A HN 0.381 nan 8.150 nan 0.000 0.447 88 D N -1.147 119.204 120.400 -0.082 0.000 2.264 88 D HA -0.050 4.590 4.640 0.000 0.000 0.208 88 D C 1.111 177.199 176.300 -0.353 0.000 0.966 88 D CA 0.835 54.689 54.000 -0.243 0.000 0.864 88 D CB -0.321 40.269 40.800 -0.350 0.000 0.933 88 D HN 0.526 nan 8.370 nan 0.000 0.499 89 F N 0.253 120.199 119.950 -0.006 0.000 2.797 89 F HA 0.095 4.622 4.527 0.000 0.000 0.302 89 F C 2.081 177.879 175.800 -0.003 0.000 1.130 89 F CA 0.483 58.482 58.000 -0.001 0.000 1.387 89 F CB 0.240 39.245 39.000 0.008 0.000 1.107 89 F HN -0.164 nan 8.300 nan 0.000 0.577 90 T N -0.733 113.882 114.554 0.102 0.000 3.018 90 T HA 0.262 4.612 4.350 0.000 0.000 0.246 90 T C 0.901 175.605 174.700 0.007 0.000 1.026 90 T CA 0.003 62.137 62.100 0.056 0.000 1.081 90 T CB 0.177 69.070 68.868 0.042 0.000 0.970 90 T HN -0.123 nan 8.240 nan 0.000 0.475 91 I N 1.911 122.468 120.570 -0.022 0.000 2.710 91 I HA 0.262 4.432 4.170 0.000 0.000 0.286 91 I C 1.544 177.641 176.117 -0.034 0.000 1.181 91 I CA 1.008 62.285 61.300 -0.040 0.000 1.430 91 I CB 0.524 38.488 38.000 -0.060 0.000 1.367 91 I HN 0.523 nan 8.210 nan 0.000 0.577 92 G N 4.812 113.594 108.800 -0.029 0.000 2.199 92 G HA2 -0.212 3.748 3.960 0.000 0.000 0.254 92 G HA3 -0.212 3.748 3.960 0.000 0.000 0.254 92 G C 0.505 175.400 174.900 -0.008 0.000 0.982 92 G CA -0.428 44.660 45.100 -0.020 0.000 0.632 92 G HN 0.494 nan 8.290 nan 0.000 0.529 93 R N 0.568 121.064 120.500 -0.006 0.000 2.546 93 R HA 0.514 4.854 4.340 0.000 0.000 0.266 93 R C -0.729 175.562 176.300 -0.015 0.000 1.086 93 R CA -0.571 55.529 56.100 0.000 0.000 1.160 93 R CB 0.406 30.712 30.300 0.009 0.000 1.138 93 R HN 0.261 nan 8.270 nan 0.000 0.567 94 D N 0.791 121.187 120.400 -0.008 0.000 2.329 94 D HA 0.245 4.885 4.640 0.000 0.000 0.232 94 D C -1.780 174.477 176.300 -0.072 0.000 1.088 94 D CA -2.437 51.561 54.000 -0.004 0.000 0.835 94 D CB 1.468 42.305 40.800 0.062 0.000 1.078 94 D HN -0.007 nan 8.370 nan 0.000 0.495 95 P HA -0.125 nan 4.420 nan 0.000 0.218 95 P C 0.913 177.946 177.300 -0.444 0.000 1.146 95 P CA 0.951 63.846 63.100 -0.342 0.000 0.820 95 P CB -0.042 31.388 31.700 -0.451 0.000 0.778 96 F N -0.712 119.134 119.950 -0.174 0.000 2.771 96 F HA -0.046 4.481 4.527 0.000 0.000 0.299 96 F C 1.209 176.878 175.800 -0.219 0.000 1.177 96 F CA 0.926 58.803 58.000 -0.205 0.000 1.450 96 F CB -0.739 38.191 39.000 -0.117 0.000 1.114 96 F HN -0.091 nan 8.300 nan 0.000 0.587 97 D N -0.315 120.052 120.400 -0.055 0.000 2.427 97 D HA 0.225 4.865 4.640 0.000 0.000 0.224 97 D C 1.974 178.197 176.300 -0.128 0.000 1.157 97 D CA 0.296 54.261 54.000 -0.058 0.000 0.828 97 D CB -0.008 40.788 40.800 -0.007 0.000 0.974 97 D HN 0.147 nan 8.370 nan 0.000 0.498 98 A N 1.181 123.807 122.820 -0.323 0.000 1.873 98 A HA -0.208 4.112 4.320 0.000 0.000 0.218 98 A C 2.308 179.831 177.584 -0.101 0.000 1.193 98 A CA 2.206 54.014 52.037 -0.381 0.000 0.629 98 A CB -0.627 17.748 19.000 -1.042 0.000 0.826 98 A HN 0.300 nan 8.150 nan 0.000 0.447 99 A N -0.462 122.336 122.820 -0.036 0.000 1.908 99 A HA 0.113 4.433 4.320 0.000 0.000 0.218 99 A C 2.511 180.198 177.584 0.172 0.000 1.181 99 A CA 2.410 54.566 52.037 0.199 0.000 0.627 99 A CB -1.041 18.116 19.000 0.260 0.000 0.818 99 A HN 1.198 nan 8.150 nan 0.000 0.445 100 A N -0.404 122.473 122.820 0.094 0.000 1.968 100 A HA 0.020 4.340 4.320 0.000 0.000 0.217 100 A C 2.084 179.724 177.584 0.094 0.000 1.169 100 A CA 1.294 53.384 52.037 0.090 0.000 0.638 100 A CB -0.548 18.486 19.000 0.056 0.000 0.812 100 A HN 0.501 nan 8.150 nan 0.000 0.446 101 I N -1.299 119.319 120.570 0.080 0.000 2.179 101 I HA -0.283 3.887 4.170 0.000 0.000 0.242 101 I C 2.463 178.657 176.117 0.128 0.000 1.088 101 I CA 1.825 63.175 61.300 0.084 0.000 1.357 101 I CB -0.547 37.484 38.000 0.052 0.000 1.051 101 I HN 0.564 nan 8.210 nan 0.000 0.409 102 H N 1.557 120.677 119.070 0.083 0.000 2.252 102 H HA -0.260 4.296 4.556 0.000 0.000 0.292 102 H C 1.889 177.301 175.328 0.140 0.000 1.082 102 H CA 2.507 58.626 56.048 0.118 0.000 1.229 102 H CB -0.206 29.637 29.762 0.136 0.000 1.353 102 H HN 0.250 nan 8.280 nan 0.000 0.488 103 D N 0.204 120.690 120.400 0.142 0.000 2.133 103 D HA -0.163 4.477 4.640 0.000 0.000 0.192 103 D C 1.867 178.218 176.300 0.086 0.000 1.001 103 D CA 1.584 55.635 54.000 0.084 0.000 0.844 103 D CB -0.512 40.353 40.800 0.108 0.000 0.944 103 D HN 0.526 nan 8.370 nan 0.000 0.447 104 D N 0.196 120.639 120.400 0.072 0.000 2.123 104 D HA -0.095 4.545 4.640 0.000 0.000 0.196 104 D C 2.389 178.702 176.300 0.023 0.000 0.992 104 D CA 0.369 54.398 54.000 0.047 0.000 0.833 104 D CB -0.333 40.497 40.800 0.050 0.000 0.954 104 D HN 0.243 nan 8.370 nan 0.000 0.455 105 L N -0.514 120.727 121.223 0.030 0.000 2.027 105 L HA -0.181 4.159 4.340 0.000 0.000 0.206 105 L C 2.441 179.366 176.870 0.091 0.000 1.074 105 L CA 0.949 55.801 54.840 0.020 0.000 0.745 105 L CB -0.538 41.524 42.059 0.005 0.000 0.898 105 L HN 0.065 nan 8.230 nan 0.000 0.433 106 Y N 1.300 121.557 120.300 -0.072 0.000 2.151 106 Y HA -0.332 4.218 4.550 0.000 0.000 0.284 106 Y C 2.141 178.064 175.900 0.037 0.000 1.166 106 Y CA 1.918 60.034 58.100 0.027 0.000 1.163 106 Y CB -0.152 38.227 38.460 -0.136 0.000 0.974 106 Y HN 0.232 nan 8.280 nan 0.000 0.511 107 D N 0.106 120.589 120.400 0.139 0.000 2.350 107 D HA -0.044 4.596 4.640 0.000 0.000 0.216 107 D C 0.666 176.916 176.300 -0.084 0.000 0.968 107 D CA 0.401 54.424 54.000 0.039 0.000 0.894 107 D CB -0.249 40.587 40.800 0.060 0.000 0.909 107 D HN 0.147 nan 8.370 nan 0.000 0.520 111 V N 0.636 120.469 119.914 -0.136 0.000 3.305 111 V HA 0.212 4.332 4.120 0.000 0.000 0.269 111 V C 1.354 177.389 176.094 -0.099 0.000 1.157 111 V CA 1.213 63.452 62.300 -0.102 0.000 1.157 111 V CB -0.641 31.137 31.823 -0.075 0.000 0.772 111 V HN 0.279 nan 8.190 nan 0.000 0.498 112 R N 0.651 121.102 120.500 -0.082 0.000 2.334 112 R HA 0.385 4.725 4.340 0.000 0.000 0.216 112 R C 1.601 177.716 176.300 -0.308 0.000 0.905 112 R CA 0.575 56.633 56.100 -0.071 0.000 1.064 112 R CB 0.481 30.880 30.300 0.164 0.000 1.046 112 R HN 0.718 nan 8.270 nan 0.000 0.508 113 G N 0.797 109.426 108.800 -0.285 0.000 2.141 113 G HA2 -0.281 3.679 3.960 0.000 0.000 0.231 113 G HA3 -0.281 3.679 3.960 0.000 0.000 0.231 113 G C -0.270 174.366 174.900 -0.440 0.000 0.984 113 G CA -0.396 44.492 45.100 -0.353 0.000 0.660 113 G HN 0.364 nan 8.290 nan 0.000 0.525 114 Y N 1.928 122.045 120.300 -0.305 0.000 2.735 114 Y HA 0.410 4.960 4.550 0.000 0.000 0.354 114 Y C 1.861 177.551 175.900 -0.351 0.000 1.288 114 Y CA 0.499 58.395 58.100 -0.340 0.000 1.836 114 Y CB 0.121 38.247 38.460 -0.557 0.000 1.920 114 Y HN 0.278 nan 8.280 nan 0.000 0.438 115 T N -3.096 111.393 114.554 -0.108 0.000 3.134 115 T HA 0.587 4.937 4.350 0.000 0.000 0.260 115 T C 0.789 175.584 174.700 0.157 0.000 1.027 115 T CA 0.146 62.225 62.100 -0.036 0.000 0.913 115 T CB 0.226 69.097 68.868 0.006 0.000 1.046 115 T HN 0.530 nan 8.240 nan 0.000 0.553 116 G N -0.775 108.101 108.800 0.126 0.000 2.772 116 G HA2 0.593 4.553 3.960 0.000 0.000 0.284 116 G HA3 0.593 4.553 3.960 0.000 0.000 0.284 116 G C 0.428 175.375 174.900 0.078 0.000 1.217 116 G CA -0.098 45.059 45.100 0.095 0.000 0.831 116 G HN 0.791 nan 8.290 nan 0.000 0.523 117 G N -0.359 108.406 108.800 -0.058 0.000 2.651 117 G HA2 -0.298 3.662 3.960 0.000 0.000 0.315 117 G HA3 -0.298 3.662 3.960 0.000 0.000 0.315 117 G C 1.041 175.881 174.900 -0.100 0.000 1.258 117 G CA 1.337 46.355 45.100 -0.137 0.000 1.002 117 G HN 0.953 nan 8.290 nan 0.000 0.551 118 F N -0.770 119.204 119.950 0.041 0.000 2.293 118 F HA 0.204 4.731 4.527 0.000 0.000 0.297 118 F C 2.411 178.270 175.800 0.098 0.000 1.089 118 F CA 1.792 59.827 58.000 0.059 0.000 1.377 118 F CB -0.463 38.574 39.000 0.062 0.000 1.051 118 F HN 0.418 nan 8.300 nan 0.000 0.511 119 Y N 0.215 120.640 120.300 0.208 0.000 2.163 119 Y HA -0.200 4.350 4.550 0.000 0.000 0.288 119 Y C 2.289 178.258 175.900 0.115 0.000 1.136 119 Y CA 1.550 59.723 58.100 0.122 0.000 1.147 119 Y CB -0.581 37.931 38.460 0.088 0.000 0.987 119 Y HN -0.167 nan 8.280 nan 0.000 0.509 120 V N 0.300 120.334 119.914 0.200 0.000 2.667 120 V HA -0.229 3.891 4.120 0.000 0.000 0.252 120 V C 1.874 178.031 176.094 0.106 0.000 1.065 120 V CA 1.798 64.192 62.300 0.155 0.000 1.083 120 V CB -0.653 31.314 31.823 0.240 0.000 0.692 120 V HN 0.359 nan 8.190 nan 0.000 0.468 121 D N 0.986 121.436 120.400 0.085 0.000 2.106 121 D HA -0.191 4.449 4.640 0.000 0.000 0.191 121 D C 2.272 178.629 176.300 0.094 0.000 0.997 121 D CA 1.899 55.960 54.000 0.103 0.000 0.834 121 D CB -0.399 40.458 40.800 0.096 0.000 0.956 121 D HN 0.428 nan 8.370 nan 0.000 0.448 122 A N 0.696 123.546 122.820 0.049 0.000 1.865 122 A HA -0.164 4.156 4.320 0.000 0.000 0.217 122 A C 2.464 180.033 177.584 -0.026 0.000 1.191 122 A CA 1.227 53.260 52.037 -0.007 0.000 0.623 122 A CB -0.968 17.979 19.000 -0.090 0.000 0.826 122 A HN 0.252 nan 8.150 nan 0.000 0.444 123 L N -0.865 120.304 121.223 -0.090 0.000 2.081 123 L HA -0.263 4.077 4.340 0.000 0.000 0.212 123 L C 3.031 179.994 176.870 0.155 0.000 1.080 123 L CA 1.199 56.046 54.840 0.013 0.000 0.754 123 L CB -0.556 41.532 42.059 0.049 0.000 0.893 123 L HN 0.481 nan 8.230 nan 0.000 0.433 124 A N -0.322 122.588 122.820 0.150 0.000 1.968 124 A HA -0.028 4.292 4.320 0.000 0.000 0.217 124 A C 2.530 180.206 177.584 0.153 0.000 1.169 124 A CA 1.355 53.487 52.037 0.159 0.000 0.638 124 A CB -0.489 18.592 19.000 0.135 0.000 0.812 124 A HN 0.384 nan 8.150 nan 0.000 0.446 125 A N 0.191 123.097 122.820 0.143 0.000 1.873 125 A HA -0.065 4.255 4.320 0.000 0.000 0.215 125 A C 2.107 179.777 177.584 0.144 0.000 1.186 125 A CA 1.482 53.615 52.037 0.160 0.000 0.616 125 A CB -0.598 18.493 19.000 0.152 0.000 0.823 125 A HN 0.464 nan 8.150 nan 0.000 0.442 126 I N -0.314 120.325 120.570 0.115 0.000 2.127 126 I HA -0.280 3.890 4.170 0.000 0.000 0.241 126 I C 2.333 178.526 176.117 0.128 0.000 1.075 126 I CA 1.972 63.330 61.300 0.096 0.000 1.334 126 I CB -0.446 37.596 38.000 0.070 0.000 1.040 126 I HN 0.425 nan 8.210 nan 0.000 0.405 127 D N 1.187 121.696 120.400 0.181 0.000 2.116 127 D HA -0.222 4.418 4.640 0.000 0.000 0.193 127 D C 2.095 178.590 176.300 0.325 0.000 0.998 127 D CA 1.732 55.888 54.000 0.260 0.000 0.836 127 D CB -0.081 40.878 40.800 0.265 0.000 0.951 127 D HN 0.295 nan 8.370 nan 0.000 0.449 128 I N 0.374 121.087 120.570 0.238 0.000 2.179 128 I HA -0.271 3.899 4.170 0.000 0.000 0.242 128 I C 2.519 178.762 176.117 0.210 0.000 1.088 128 I CA 1.184 62.616 61.300 0.220 0.000 1.357 128 I CB -0.385 37.717 38.000 0.171 0.000 1.051 128 I HN 0.081 nan 8.210 nan 0.000 0.409 129 A N 0.519 123.434 122.820 0.157 0.000 1.940 129 A HA -0.191 4.129 4.320 0.000 0.000 0.219 129 A C 2.173 179.780 177.584 0.039 0.000 1.176 129 A CA 1.492 53.584 52.037 0.091 0.000 0.631 129 A CB -0.682 18.343 19.000 0.042 0.000 0.814 129 A HN 0.299 nan 8.150 nan 0.000 0.446 130 L N -2.196 119.047 121.223 0.033 0.000 2.046 130 L HA -0.111 4.229 4.340 0.000 0.000 0.208 130 L C 2.224 179.014 176.870 -0.134 0.000 1.077 130 L CA 1.311 56.100 54.840 -0.085 0.000 0.747 130 L CB -1.421 40.566 42.059 -0.121 0.000 0.896 130 L HN 0.646 nan 8.230 nan 0.000 0.432 131 W N -0.121 121.157 121.300 -0.037 0.000 2.388 131 W HA -0.198 4.462 4.660 0.000 0.000 0.294 131 W C 2.503 178.996 176.519 -0.044 0.000 1.212 131 W CA 1.232 58.555 57.345 -0.037 0.000 1.271 131 W CB -0.360 29.091 29.460 -0.014 0.000 1.126 131 W HN 0.202 nan 8.180 nan 0.000 0.535 132 D N -0.089 120.420 120.400 0.182 0.000 2.123 132 D HA -0.183 4.457 4.640 0.000 0.000 0.196 132 D C 2.075 178.387 176.300 0.020 0.000 0.992 132 D CA 1.245 55.309 54.000 0.107 0.000 0.833 132 D CB -0.278 40.590 40.800 0.113 0.000 0.954 132 D HN -0.116 nan 8.370 nan 0.000 0.455 133 L N 0.619 121.809 121.223 -0.055 0.000 2.017 133 L HA 0.008 4.348 4.340 0.000 0.000 0.208 133 L C 2.433 179.155 176.870 -0.247 0.000 1.073 133 L CA 1.795 56.550 54.840 -0.142 0.000 0.745 133 L CB -1.463 40.482 42.059 -0.190 0.000 0.894 133 L HN 0.078 nan 8.230 nan 0.000 0.432 134 A N -0.713 121.893 122.820 -0.356 0.000 1.892 134 A HA -0.171 4.149 4.320 0.000 0.000 0.218 134 A C 2.389 179.861 177.584 -0.186 0.000 1.188 134 A CA 1.908 53.582 52.037 -0.606 0.000 0.631 134 A CB -1.387 17.296 19.000 -0.528 0.000 0.822 134 A HN 0.473 nan 8.150 nan 0.000 0.447 135 G N -0.551 108.248 108.800 -0.002 0.000 2.421 135 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 135 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 135 G C 1.688 176.627 174.900 0.065 0.000 1.171 135 G CA 1.100 46.253 45.100 0.088 0.000 0.775 135 G HN 0.577 nan 8.290 nan 0.000 0.543 136 K N -0.533 119.882 120.400 0.025 0.000 2.057 136 K HA -0.005 4.315 4.320 0.000 0.000 0.207 136 K C 2.408 179.030 176.600 0.037 0.000 1.049 136 K CA 0.689 56.993 56.287 0.029 0.000 0.931 136 K CB -0.262 32.248 32.500 0.016 0.000 0.714 136 K HN 0.141 nan 8.250 nan 0.000 0.440 137 L N 0.543 121.771 121.223 0.009 0.000 2.083 137 L HA -0.115 4.225 4.340 0.000 0.000 0.209 137 L C 2.131 179.130 176.870 0.215 0.000 1.083 137 L CA 1.629 56.520 54.840 0.084 0.000 0.752 137 L CB -0.832 41.230 42.059 0.005 0.000 0.899 137 L HN 0.127 nan 8.230 nan 0.000 0.433 138 A N -1.532 121.446 122.820 0.262 0.000 2.275 138 A HA 0.415 4.735 4.320 0.000 0.000 0.212 138 A C 1.596 179.259 177.584 0.132 0.000 1.201 138 A CA 0.592 52.776 52.037 0.245 0.000 0.843 138 A CB -0.591 18.604 19.000 0.325 0.000 0.873 138 A HN 0.502 nan 8.150 nan 0.000 0.492 139 G N -0.720 108.143 108.800 0.105 0.000 2.246 139 G HA2 -0.204 3.756 3.960 0.000 0.000 0.273 139 G HA3 -0.204 3.756 3.960 0.000 0.000 0.273 139 G C -0.189 174.754 174.900 0.073 0.000 1.055 139 G CA 0.669 45.814 45.100 0.075 0.000 0.851 139 G HN 0.533 nan 8.290 nan 0.000 0.500 140 L N 0.074 121.350 121.223 0.088 0.000 2.422 140 L HA 0.532 4.873 4.340 0.000 0.000 0.264 140 L C -2.075 174.845 176.870 0.084 0.000 0.984 140 L CA -2.671 52.221 54.840 0.085 0.000 0.819 140 L CB 2.798 44.919 42.059 0.104 0.000 1.330 140 L HN -0.124 nan 8.230 nan 0.000 0.410 141 P HA 0.007 nan 4.420 nan 0.000 0.269 141 P C 0.890 178.242 177.300 0.085 0.000 1.209 141 P CA -0.177 62.961 63.100 0.064 0.000 0.776 141 P CB 1.149 32.876 31.700 0.044 0.000 0.876 142 V N 2.508 122.475 119.914 0.089 0.000 2.469 142 V HA -0.282 3.838 4.120 0.000 0.000 0.251 142 V C 2.566 178.708 176.094 0.080 0.000 1.064 142 V CA 2.604 64.980 62.300 0.126 0.000 1.066 142 V CB -1.384 30.505 31.823 0.111 0.000 0.667 142 V HN 0.793 nan 8.190 nan 0.000 0.461 143 C N -0.488 118.831 119.300 0.032 0.000 2.419 143 C HA -0.059 4.401 4.460 0.000 0.000 0.281 143 C C 2.252 177.269 174.990 0.045 0.000 1.336 143 C CA 0.105 59.131 59.018 0.014 0.000 1.770 143 C CB -1.088 26.654 27.740 0.005 0.000 1.929 143 C HN 0.407 nan 8.230 nan 0.000 0.509 144 K N 0.542 120.983 120.400 0.067 0.000 2.525 144 K HA 0.146 4.466 4.320 0.000 0.000 0.192 144 K C 0.999 177.666 176.600 0.112 0.000 1.029 144 K CA 0.466 56.799 56.287 0.076 0.000 1.029 144 K CB -0.041 32.500 32.500 0.070 0.000 0.814 144 K HN 0.451 nan 8.250 nan 0.000 0.503 145 L N -0.477 120.842 121.223 0.160 0.000 2.731 145 L HA 0.180 4.520 4.340 0.000 0.000 0.240 145 L C 1.398 178.422 176.870 0.256 0.000 1.120 145 L CA 0.662 55.650 54.840 0.246 0.000 0.913 145 L CB 0.173 42.464 42.059 0.387 0.000 1.213 145 L HN -0.015 nan 8.230 nan 0.000 0.515 146 L N -1.418 119.883 121.223 0.130 0.000 2.640 146 L HA 0.425 4.765 4.340 0.000 0.000 0.230 146 L C 1.312 178.203 176.870 0.035 0.000 1.123 146 L CA 0.689 55.556 54.840 0.045 0.000 0.900 146 L CB 0.235 42.246 42.059 -0.079 0.000 1.146 146 L HN 0.373 nan 8.230 nan 0.000 0.484 147 G N -0.800 108.029 108.800 0.049 0.000 2.367 147 G HA2 0.061 4.021 3.960 0.000 0.000 0.181 147 G HA3 0.061 4.021 3.960 0.000 0.000 0.181 147 G C 0.422 175.335 174.900 0.021 0.000 1.000 147 G CA -0.377 44.740 45.100 0.028 0.000 0.693 147 G HN 0.675 nan 8.290 nan 0.000 0.480 148 G N -0.938 107.878 108.800 0.026 0.000 2.348 148 G HA2 0.490 4.450 3.960 0.000 0.000 0.606 148 G HA3 0.490 4.450 3.960 0.000 0.000 0.606 148 G C -0.800 174.113 174.900 0.021 0.000 1.466 148 G CA 0.291 45.406 45.100 0.024 0.000 0.950 148 G HN 0.986 nan 8.290 nan 0.000 0.657 149 Q N 0.315 120.129 119.800 0.023 0.000 2.406 149 Q HA 0.462 4.802 4.340 0.000 0.000 0.242 149 Q C 1.411 177.424 176.000 0.022 0.000 1.036 149 Q CA -0.497 55.319 55.803 0.022 0.000 0.904 149 Q CB 0.300 29.052 28.738 0.023 0.000 1.244 149 Q HN 0.546 nan 8.270 nan 0.000 0.478 150 R N 2.279 122.794 120.500 0.024 0.000 2.240 150 R HA 0.128 4.469 4.340 0.000 0.000 0.203 150 R C 0.332 176.649 176.300 0.029 0.000 1.011 150 R CA 0.549 56.665 56.100 0.027 0.000 1.007 150 R CB 0.407 30.726 30.300 0.032 0.000 0.911 150 R HN 0.329 nan 8.270 nan 0.000 0.468 151 R N -0.434 120.083 120.500 0.029 0.000 2.604 151 R HA 0.064 4.404 4.340 0.000 0.000 0.281 151 R C -0.899 175.416 176.300 0.025 0.000 1.020 151 R CA -0.310 55.809 56.100 0.030 0.000 0.899 151 R CB 1.748 32.073 30.300 0.042 0.000 1.205 151 R HN -0.121 nan 8.270 nan 0.000 0.450 152 D N 1.110 121.523 120.400 0.021 0.000 2.324 152 D HA 0.078 4.718 4.640 0.000 0.000 0.212 152 D C -0.376 175.935 176.300 0.019 0.000 0.984 152 D CA 0.623 54.633 54.000 0.017 0.000 0.885 152 D CB 0.585 41.392 40.800 0.011 0.000 0.996 152 D HN 0.380 nan 8.370 nan 0.000 0.505 153 R N 0.162 120.676 120.500 0.022 0.000 2.707 153 R HA 0.453 4.793 4.340 0.000 0.000 0.272 153 R C -1.301 175.028 176.300 0.049 0.000 1.011 153 R CA -0.815 55.302 56.100 0.029 0.000 0.893 153 R CB 1.247 31.547 30.300 -0.001 0.000 1.233 153 R HN -0.114 nan 8.270 nan 0.000 0.464 154 I N 1.544 122.167 120.570 0.089 0.000 2.389 154 I HA 0.339 4.509 4.170 0.000 0.000 0.288 154 I C 0.642 176.852 176.117 0.154 0.000 0.999 154 I CA -0.881 60.500 61.300 0.135 0.000 1.129 154 I CB 1.401 39.500 38.000 0.165 0.000 1.288 154 I HN 0.875 nan 8.210 nan 0.000 0.444 155 A N 5.056 127.941 122.820 0.109 0.000 2.561 155 A HA 0.465 4.785 4.320 0.000 0.000 0.234 155 A C 0.384 178.075 177.584 0.178 0.000 1.055 155 A CA 0.164 52.241 52.037 0.066 0.000 0.756 155 A CB 0.103 19.141 19.000 0.062 0.000 0.986 155 A HN 0.964 nan 8.150 nan 0.000 0.505 156 A N 1.894 124.734 122.820 0.033 0.000 2.355 156 A HA 0.706 5.026 4.320 0.000 0.000 0.317 156 A C -0.673 177.070 177.584 0.265 0.000 1.094 156 A CA -0.541 51.577 52.037 0.134 0.000 0.764 156 A CB 0.812 19.652 19.000 -0.265 0.000 1.230 156 A HN 1.649 nan 8.150 nan 0.000 0.448 157 Y N 1.634 122.132 120.300 0.331 0.000 2.429 157 Y HA 0.736 5.287 4.550 0.000 0.000 0.342 157 Y C -0.547 175.470 175.900 0.195 0.000 1.004 157 Y CA -1.900 56.366 58.100 0.277 0.000 1.075 157 Y CB 0.838 39.550 38.460 0.421 0.000 1.214 157 Y HN 0.442 nan 8.280 nan 0.000 0.455 158 I N 3.575 124.186 120.570 0.069 0.000 2.533 158 I HA 0.088 4.258 4.170 0.000 0.000 0.284 158 I C 0.146 176.329 176.117 0.111 0.000 1.109 158 I CA 0.412 61.621 61.300 -0.152 0.000 1.412 158 I CB 1.046 38.848 38.000 -0.331 0.000 1.396 158 I HN 0.785 nan 8.210 nan 0.000 0.543 159 S N 4.924 120.598 115.700 -0.043 0.000 2.498 159 S HA 0.700 5.170 4.470 0.000 0.000 0.317 159 S C -0.053 174.585 174.600 0.063 0.000 1.090 159 S CA 0.020 58.272 58.200 0.086 0.000 1.089 159 S CB 0.901 64.085 63.200 -0.026 0.000 0.997 159 S HN 1.113 nan 8.310 nan 0.000 0.470 160 G N 3.438 112.324 108.800 0.144 0.000 2.977 160 G HA2 -0.139 3.821 3.960 0.000 0.000 0.686 160 G HA3 -0.139 3.821 3.960 0.000 0.000 0.686 160 G C -0.985 173.993 174.900 0.130 0.000 1.088 160 G CA -0.509 44.672 45.100 0.135 0.000 0.845 160 G HN 0.923 nan 8.290 nan 0.000 0.565 161 L N 4.605 125.919 121.223 0.152 0.000 2.445 161 L HA 0.339 4.679 4.340 0.000 0.000 0.252 161 L C -1.797 175.130 176.870 0.095 0.000 1.105 161 L CA -1.735 53.185 54.840 0.135 0.000 0.943 161 L CB 2.036 44.184 42.059 0.148 0.000 1.277 161 L HN 0.426 nan 8.230 nan 0.000 0.465 162 P HA 0.136 nan 4.420 nan 0.000 0.256 162 P C -0.604 176.719 177.300 0.038 0.000 1.688 162 P CA 0.197 63.328 63.100 0.051 0.000 1.162 162 P CB 0.434 32.162 31.700 0.045 0.000 1.870 163 E N 1.694 121.912 120.200 0.029 0.000 2.416 163 E HA 0.147 4.497 4.350 0.000 0.000 0.273 163 E C 0.453 177.056 176.600 0.004 0.000 0.935 163 E CA -0.453 55.955 56.400 0.013 0.000 0.784 163 E CB 1.708 31.412 29.700 0.008 0.000 1.301 163 E HN 0.279 nan 8.360 nan 0.000 0.454 164 D N -1.166 119.233 120.400 -0.003 0.000 2.360 164 D HA -0.033 4.608 4.640 0.000 0.000 0.210 164 D C 0.546 176.837 176.300 -0.014 0.000 1.047 164 D CA 0.186 54.182 54.000 -0.006 0.000 0.854 164 D CB 0.346 41.143 40.800 -0.005 0.000 0.936 164 D HN 0.323 nan 8.370 nan 0.000 0.514 165 T N -2.497 112.045 114.554 -0.020 0.000 2.912 165 T HA 0.385 4.735 4.350 0.000 0.000 0.288 165 T C 0.729 175.401 174.700 -0.045 0.000 1.030 165 T CA -0.951 61.131 62.100 -0.030 0.000 1.020 165 T CB 2.879 71.731 68.868 -0.028 0.000 1.056 165 T HN -0.114 nan 8.240 nan 0.000 0.480 166 R N 0.928 121.393 120.500 -0.059 0.000 2.285 166 R HA 0.104 4.444 4.340 0.000 0.000 0.213 166 R C 1.872 178.122 176.300 -0.084 0.000 1.068 166 R CA 1.167 57.214 56.100 -0.088 0.000 1.004 166 R CB -0.642 29.600 30.300 -0.097 0.000 0.873 166 R HN 0.799 nan 8.270 nan 0.000 0.467 167 A N 0.556 123.340 122.820 -0.061 0.000 1.862 167 A HA 0.012 4.332 4.320 0.000 0.000 0.211 167 A C 1.811 179.365 177.584 -0.049 0.000 1.220 167 A CA 0.668 52.672 52.037 -0.054 0.000 0.616 167 A CB -0.175 18.800 19.000 -0.042 0.000 0.878 167 A HN 0.193 nan 8.150 nan 0.000 0.453 168 K N -0.350 120.027 120.400 -0.039 0.000 2.147 168 K HA -0.067 4.253 4.320 0.000 0.000 0.205 168 K C 2.294 178.879 176.600 -0.025 0.000 1.049 168 K CA 0.906 57.175 56.287 -0.030 0.000 0.936 168 K CB -0.141 32.346 32.500 -0.022 0.000 0.722 168 K HN 0.320 nan 8.250 nan 0.000 0.446 169 R N 0.020 120.502 120.500 -0.031 0.000 2.083 169 R HA -0.119 4.221 4.340 0.000 0.000 0.237 169 R C 2.168 178.447 176.300 -0.034 0.000 1.137 169 R CA 1.435 57.522 56.100 -0.022 0.000 0.951 169 R CB -0.303 29.970 30.300 -0.044 0.000 0.851 169 R HN 0.136 nan 8.270 nan 0.000 0.434 170 A N 0.781 123.559 122.820 -0.070 0.000 2.172 170 A HA -0.101 4.220 4.320 0.000 0.000 0.216 170 A C 1.668 179.210 177.584 -0.069 0.000 1.154 170 A CA 1.025 53.008 52.037 -0.091 0.000 0.701 170 A CB -0.057 18.878 19.000 -0.108 0.000 0.789 170 A HN 0.166 nan 8.150 nan 0.000 0.465 171 E N -0.696 119.478 120.200 -0.045 0.000 2.075 171 E HA -0.048 4.302 4.350 0.000 0.000 0.190 171 E C 1.919 178.507 176.600 -0.020 0.000 0.969 171 E CA 0.567 56.945 56.400 -0.037 0.000 0.815 171 E CB -0.541 29.137 29.700 -0.037 0.000 0.776 171 E HN 0.477 nan 8.360 nan 0.000 0.457 172 L N 1.469 122.697 121.223 0.008 0.000 2.042 172 L HA -0.102 4.238 4.340 0.000 0.000 0.210 172 L C 2.094 179.064 176.870 0.166 0.000 1.076 172 L CA 2.149 57.026 54.840 0.061 0.000 0.749 172 L CB -0.881 41.240 42.059 0.104 0.000 0.893 172 L HN 0.051 nan 8.230 nan 0.000 0.432 173 A N -1.096 121.801 122.820 0.129 0.000 2.121 173 A HA 0.055 4.375 4.320 0.000 0.000 0.218 173 A C 2.338 179.955 177.584 0.055 0.000 1.154 173 A CA 1.388 53.497 52.037 0.120 0.000 0.679 173 A CB -0.829 18.077 19.000 -0.156 0.000 0.795 173 A HN 0.567 nan 8.150 nan 0.000 0.458 174 A N -0.471 122.358 122.820 0.014 0.000 1.975 174 A HA 0.394 4.715 4.320 0.000 0.000 0.215 174 A C 2.380 179.993 177.584 0.048 0.000 1.170 174 A CA 1.321 53.362 52.037 0.006 0.000 0.656 174 A CB -0.689 18.292 19.000 -0.031 0.000 0.821 174 A HN 0.850 nan 8.150 nan 0.000 0.449 175 A N -0.869 121.943 122.820 -0.012 0.000 1.898 175 A HA -0.136 4.184 4.320 0.000 0.000 0.216 175 A C 1.964 179.483 177.584 -0.108 0.000 1.181 175 A CA 1.293 53.247 52.037 -0.138 0.000 0.620 175 A CB -0.880 17.926 19.000 -0.324 0.000 0.819 175 A HN 0.738 nan 8.150 nan 0.000 0.442 176 W N -0.362 121.020 121.300 0.138 0.000 2.436 176 W HA -0.074 4.587 4.660 0.000 0.000 0.284 176 W C 2.554 179.274 176.519 0.336 0.000 1.225 176 W CA 1.073 58.525 57.345 0.178 0.000 1.271 176 W CB -0.159 29.342 29.460 0.069 0.000 1.114 176 W HN 0.480 nan 8.180 nan 0.000 0.559 177 Q N 0.710 120.882 119.800 0.619 0.000 2.096 177 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 177 Q C 2.223 178.400 176.000 0.295 0.000 0.982 177 Q CA 2.071 58.187 55.803 0.522 0.000 0.850 177 Q CB -0.372 28.608 28.738 0.403 0.000 0.901 177 Q HN 0.233 nan 8.270 nan 0.000 0.422 178 A N 0.106 123.044 122.820 0.197 0.000 2.168 178 A HA -0.067 4.253 4.320 0.000 0.000 0.215 178 A C 1.582 179.233 177.584 0.112 0.000 1.152 178 A CA 0.834 52.936 52.037 0.108 0.000 0.716 178 A CB -0.023 19.001 19.000 0.040 0.000 0.794 178 A HN 0.255 nan 8.150 nan 0.000 0.465 179 K N -1.820 118.701 120.400 0.202 0.000 2.367 179 K HA 0.248 4.568 4.320 0.000 0.000 0.194 179 K C 1.002 177.751 176.600 0.249 0.000 1.027 179 K CA 0.560 56.985 56.287 0.230 0.000 1.075 179 K CB 0.374 33.057 32.500 0.304 0.000 0.845 179 K HN 0.536 nan 8.250 nan 0.000 0.529 180 G N 0.712 109.646 108.800 0.224 0.000 2.485 180 G HA2 -0.158 3.802 3.960 0.000 0.000 0.181 180 G HA3 -0.158 3.802 3.960 0.000 0.000 0.181 180 G C -0.204 174.632 174.900 -0.106 0.000 0.999 180 G CA -0.754 44.347 45.100 0.001 0.000 0.721 180 G HN 0.104 nan 8.290 nan 0.000 0.486 181 F N 2.386 122.352 119.950 0.026 0.000 2.420 181 F HA 0.502 5.029 4.527 0.000 0.000 0.352 181 F C 1.447 177.173 175.800 -0.124 0.000 1.108 181 F CA 0.390 58.317 58.000 -0.122 0.000 1.162 181 F CB 1.988 40.859 39.000 -0.215 0.000 1.118 181 F HN 0.112 nan 8.300 nan 0.000 0.510 182 S N -0.293 115.363 115.700 -0.072 0.000 2.730 182 S HA 0.316 4.786 4.470 0.000 0.000 0.244 182 S C 0.010 174.550 174.600 -0.099 0.000 1.022 182 S CA -0.372 57.837 58.200 0.016 0.000 1.014 182 S CB 0.129 63.329 63.200 -0.001 0.000 0.963 182 S HN 0.337 nan 8.310 nan 0.000 0.540 183 S N 0.900 116.389 115.700 -0.352 0.000 2.538 183 S HA 0.822 5.292 4.470 0.000 0.000 0.288 183 S C -1.392 173.019 174.600 -0.316 0.000 1.108 183 S CA -0.540 57.508 58.200 -0.255 0.000 0.971 183 S CB 1.090 64.150 63.200 -0.233 0.000 1.041 183 S HN 0.392 nan 8.310 nan 0.000 0.483 184 F N 1.350 121.505 119.950 0.341 0.000 2.613 184 F HA 0.616 5.143 4.527 0.000 0.000 0.310 184 F C -0.128 175.870 175.800 0.330 0.000 1.085 184 F CA -0.854 57.361 58.000 0.358 0.000 0.945 184 F CB 1.901 41.048 39.000 0.246 0.000 1.298 184 F HN 0.319 nan 8.300 nan 0.000 0.455 185 K N 2.539 123.224 120.400 0.475 0.000 2.468 185 K HA 0.623 4.943 4.320 0.000 0.000 0.252 185 K C -1.799 174.937 176.600 0.226 0.000 0.932 185 K CA -0.594 55.806 56.287 0.189 0.000 0.794 185 K CB 1.921 34.474 32.500 0.087 0.000 1.241 185 K HN 0.555 nan 8.250 nan 0.000 0.428 186 F N 1.110 121.111 119.950 0.085 0.000 2.556 186 F HA 0.817 5.344 4.527 0.000 0.000 0.327 186 F C -0.662 175.167 175.800 0.049 0.000 1.059 186 F CA -1.121 56.920 58.000 0.068 0.000 0.953 186 F CB 1.212 40.234 39.000 0.037 0.000 1.227 186 F HN 0.446 nan 8.300 nan 0.000 0.478 187 A N 1.178 124.114 122.820 0.193 0.000 2.310 187 A HA 0.480 4.800 4.320 0.000 0.000 0.299 187 A C 0.980 178.706 177.584 0.238 0.000 1.147 187 A CA -0.009 52.084 52.037 0.095 0.000 0.818 187 A CB 0.515 19.566 19.000 0.086 0.000 1.096 187 A HN 1.145 nan 8.150 nan 0.000 0.495 188 S N 1.567 117.346 115.700 0.132 0.000 2.387 188 S HA -0.023 4.447 4.470 0.000 0.000 0.226 188 S C -0.817 173.877 174.600 0.157 0.000 1.026 188 S CA 1.199 59.532 58.200 0.222 0.000 0.972 188 S CB -1.325 61.981 63.200 0.177 0.000 0.814 188 S HN 0.524 nan 8.310 nan 0.000 0.477 189 P HA -0.027 nan 4.420 nan 0.000 0.218 189 P C 1.446 178.766 177.300 0.033 0.000 1.146 189 P CA 0.876 63.992 63.100 0.027 0.000 0.813 189 P CB -0.235 31.411 31.700 -0.089 0.000 0.778 190 V N -0.652 119.294 119.914 0.053 0.000 2.591 190 V HA -0.029 4.091 4.120 0.000 0.000 0.249 190 V C 1.451 177.570 176.094 0.041 0.000 1.053 190 V CA 1.011 63.338 62.300 0.046 0.000 1.068 190 V CB -1.661 30.201 31.823 0.066 0.000 0.689 190 V HN 0.060 nan 8.190 nan 0.000 0.462 191 A N 1.142 124.003 122.820 0.068 0.000 2.897 191 A HA 0.039 4.359 4.320 0.000 0.000 0.287 191 A C 1.227 178.819 177.584 0.013 0.000 1.748 191 A CA 0.071 52.119 52.037 0.018 0.000 1.397 191 A CB -0.637 18.387 19.000 0.039 0.000 1.049 191 A HN 0.449 nan 8.150 nan 0.000 0.592 192 D N 1.304 121.702 120.400 -0.003 0.000 2.144 192 D HA -0.110 4.530 4.640 0.000 0.000 0.200 192 D C -0.028 176.268 176.300 -0.006 0.000 0.978 192 D CA 1.266 55.266 54.000 0.000 0.000 0.833 192 D CB -0.010 40.787 40.800 -0.005 0.000 0.961 192 D HN 0.599 nan 8.370 nan 0.000 0.470 193 D N 0.486 120.871 120.400 -0.026 0.000 2.870 193 D HA 0.384 5.024 4.640 0.000 0.000 0.241 193 D C 0.913 177.194 176.300 -0.032 0.000 1.234 193 D CA 0.076 54.058 54.000 -0.031 0.000 0.844 193 D CB -0.147 40.625 40.800 -0.047 0.000 1.051 193 D HN 0.151 nan 8.370 nan 0.000 0.469 194 G N -0.233 108.560 108.800 -0.012 0.000 2.757 194 G HA2 -0.216 3.744 3.960 0.000 0.000 0.686 194 G HA3 -0.216 3.744 3.960 0.000 0.000 0.686 194 G C 0.974 175.866 174.900 -0.015 0.000 1.452 194 G CA -0.423 44.677 45.100 -0.001 0.000 0.922 194 G HN 0.363 nan 8.290 nan 0.000 0.588 195 V N -1.131 118.797 119.914 0.024 0.000 2.488 195 V HA 0.248 4.368 4.120 0.000 0.000 0.246 195 V C 3.093 179.181 176.094 -0.009 0.000 1.046 195 V CA 2.383 64.715 62.300 0.054 0.000 1.053 195 V CB -1.323 30.576 31.823 0.127 0.000 0.679 195 V HN 2.223 nan 8.190 nan 0.000 0.458 196 A N 0.462 123.272 122.820 -0.017 0.000 2.015 196 A HA -0.116 4.204 4.320 0.000 0.000 0.219 196 A C 2.294 179.769 177.584 -0.182 0.000 1.163 196 A CA 1.892 53.896 52.037 -0.055 0.000 0.646 196 A CB -0.440 18.572 19.000 0.019 0.000 0.806 196 A HN 0.606 nan 8.150 nan 0.000 0.448 197 K N -0.396 119.920 120.400 -0.141 0.000 2.314 197 K HA 0.064 4.385 4.320 0.000 0.000 0.198 197 K C 0.997 177.459 176.600 -0.231 0.000 1.045 197 K CA 0.264 56.451 56.287 -0.167 0.000 0.988 197 K CB 0.136 32.579 32.500 -0.094 0.000 0.783 197 K HN 0.542 nan 8.250 nan 0.000 0.484 201 I N 1.425 121.881 120.570 -0.190 0.000 2.361 201 I HA 0.015 4.185 4.170 0.000 0.000 0.251 201 I C 1.848 177.887 176.117 -0.130 0.000 1.133 201 I CA 1.339 62.556 61.300 -0.138 0.000 1.413 201 I CB -0.017 37.894 38.000 -0.148 0.000 1.073 201 I HN 0.405 nan 8.210 nan 0.000 0.424 202 L N -0.432 120.693 121.223 -0.163 0.000 2.068 202 L HA -0.099 4.241 4.340 0.000 0.000 0.204 202 L C 2.635 179.454 176.870 -0.085 0.000 1.076 202 L CA 0.920 55.675 54.840 -0.142 0.000 0.753 202 L CB -0.654 41.313 42.059 -0.153 0.000 0.910 202 L HN 0.125 nan 8.230 nan 0.000 0.439 203 R N 0.506 120.984 120.500 -0.037 0.000 2.127 203 R HA -0.155 4.185 4.340 0.000 0.000 0.238 203 R C 2.052 178.358 176.300 0.010 0.000 1.134 203 R CA 1.441 57.554 56.100 0.021 0.000 0.975 203 R CB -0.311 30.051 30.300 0.102 0.000 0.865 203 R HN 0.328 nan 8.270 nan 0.000 0.447 204 E N -0.230 119.969 120.200 -0.003 0.000 2.006 204 E HA -0.178 4.172 4.350 0.000 0.000 0.192 204 E C 1.991 178.575 176.600 -0.027 0.000 0.993 204 E CA 1.147 57.542 56.400 -0.008 0.000 0.808 204 E CB -0.259 29.434 29.700 -0.012 0.000 0.764 204 E HN 0.098 nan 8.360 nan 0.000 0.449 205 R N 0.920 121.389 120.500 -0.051 0.000 2.152 205 R HA -0.063 4.277 4.340 0.000 0.000 0.232 205 R C 2.099 178.360 176.300 -0.065 0.000 1.117 205 R CA 1.038 57.101 56.100 -0.061 0.000 0.981 205 R CB -0.242 30.008 30.300 -0.083 0.000 0.870 205 R HN 0.152 nan 8.270 nan 0.000 0.451 206 L N -1.703 119.475 121.223 -0.075 0.000 2.515 206 L HA 0.386 4.726 4.340 0.000 0.000 0.223 206 L C 0.890 177.750 176.870 -0.017 0.000 1.079 206 L CA 0.073 54.867 54.840 -0.078 0.000 0.857 206 L CB 0.072 42.027 42.059 -0.173 0.000 1.050 206 L HN 0.404 nan 8.230 nan 0.000 0.476 207 G N 0.732 109.527 108.800 -0.007 0.000 2.661 207 G HA2 -0.147 3.813 3.960 0.000 0.000 0.685 207 G HA3 -0.147 3.813 3.960 0.000 0.000 0.685 207 G C -2.424 172.488 174.900 0.020 0.000 1.298 207 G CA -0.287 44.819 45.100 0.010 0.000 0.855 207 G HN -0.057 nan 8.290 nan 0.000 0.560 208 P HA 0.169 nan 4.420 nan 0.000 0.231 208 P C 1.630 178.941 177.300 0.019 0.000 1.168 208 P CA 1.846 64.959 63.100 0.021 0.000 0.779 208 P CB 0.221 31.929 31.700 0.014 0.000 0.844 209 A N 0.772 123.605 122.820 0.022 0.000 1.878 209 A HA 0.089 4.410 4.320 0.000 0.000 0.213 209 A C 1.408 179.000 177.584 0.014 0.000 1.192 209 A CA 0.813 52.858 52.037 0.014 0.000 0.619 209 A CB -1.322 17.688 19.000 0.017 0.000 0.837 209 A HN 0.153 nan 8.150 nan 0.000 0.446 210 V N -1.680 118.269 119.914 0.058 0.000 3.139 210 V HA 0.334 4.454 4.120 0.000 0.000 0.307 210 V C 0.007 176.131 176.094 0.050 0.000 1.095 210 V CA -0.744 61.619 62.300 0.106 0.000 1.160 210 V CB 0.136 32.134 31.823 0.292 0.000 1.003 210 V HN 0.419 nan 8.190 nan 0.000 0.489 211 R N 2.764 123.254 120.500 -0.017 0.000 2.346 211 R HA 0.714 5.054 4.340 0.000 0.000 0.311 211 R C -0.908 175.484 176.300 0.154 0.000 0.983 211 R CA -0.489 55.514 56.100 -0.163 0.000 0.880 211 R CB 1.463 31.237 30.300 -0.875 0.000 1.100 211 R HN 0.760 nan 8.270 nan 0.000 0.453 212 I N 2.401 123.119 120.570 0.246 0.000 2.439 212 I HA 0.430 4.600 4.170 0.000 0.000 0.285 212 I C -0.285 175.965 176.117 0.220 0.000 1.021 212 I CA -0.450 61.039 61.300 0.316 0.000 1.091 212 I CB 1.960 40.104 38.000 0.241 0.000 1.242 212 I HN 0.635 nan 8.210 nan 0.000 0.439 213 A N 4.768 127.605 122.820 0.027 0.000 2.346 213 A HA 0.815 5.135 4.320 0.000 0.000 0.313 213 A C -1.216 175.974 177.584 -0.657 0.000 1.140 213 A CA -0.563 51.123 52.037 -0.585 0.000 0.826 213 A CB 1.893 19.764 19.000 -1.881 0.000 1.332 213 A HN 0.766 nan 8.150 nan 0.000 0.457 214 C N 1.189 120.019 119.300 -0.783 0.000 2.381 214 C HA 0.615 5.075 4.460 0.000 0.000 0.328 214 C C -0.248 174.418 174.990 -0.540 0.000 1.190 214 C CA -0.647 57.834 59.018 -0.896 0.000 1.369 214 C CB -0.234 27.046 27.740 -0.766 0.000 2.029 214 C HN 0.997 nan 8.230 nan 0.000 0.448 218 W N 0.137 121.492 121.300 0.091 0.000 2.518 218 W HA -0.335 4.325 4.660 0.000 0.000 0.196 218 W C 1.333 177.877 176.519 0.042 0.000 0.669 218 W CA 1.491 58.872 57.345 0.060 0.000 0.790 218 W CB -1.829 27.623 29.460 -0.013 0.000 1.078 218 W HN 0.800 nan 8.180 nan 0.000 0.399 219 A N 1.486 124.439 122.820 0.222 0.000 2.791 219 A HA -0.144 4.176 4.320 0.000 0.000 0.292 219 A C -0.402 176.932 177.584 -0.417 0.000 1.487 219 A CA 2.389 54.392 52.037 -0.058 0.000 0.760 219 A CB -2.173 16.791 19.000 -0.060 0.000 1.031 219 A HN 0.945 nan 8.150 nan 0.000 0.503 220 H N -1.577 117.562 119.070 0.114 0.000 3.012 220 H HA 0.614 5.170 4.556 0.000 0.000 0.367 220 H C 0.443 175.811 175.328 0.067 0.000 1.211 220 H CA 0.091 56.185 56.048 0.077 0.000 1.139 220 H CB 1.235 31.033 29.762 0.060 0.000 1.838 220 H HN 0.681 nan 8.280 nan 0.000 0.550 221 T N -0.952 113.711 114.554 0.181 0.000 2.849 221 T HA 0.440 4.790 4.350 0.000 0.000 0.284 221 T C 1.499 176.263 174.700 0.107 0.000 1.004 221 T CA -0.138 62.032 62.100 0.117 0.000 1.021 221 T CB 1.306 70.224 68.868 0.082 0.000 1.013 221 T HN 0.701 nan 8.240 nan 0.000 0.527 222 A N 1.719 124.583 122.820 0.073 0.000 1.873 222 A HA -0.104 4.216 4.320 0.000 0.000 0.218 222 A C 2.742 180.349 177.584 0.038 0.000 1.193 222 A CA 2.815 54.883 52.037 0.051 0.000 0.629 222 A CB -1.669 17.355 19.000 0.040 0.000 0.826 222 A HN 1.311 nan 8.150 nan 0.000 0.447 223 S N -0.624 115.099 115.700 0.039 0.000 2.383 223 S HA -0.199 4.271 4.470 0.000 0.000 0.227 223 S C 1.812 176.429 174.600 0.029 0.000 1.026 223 S CA 1.490 59.708 58.200 0.030 0.000 0.981 223 S CB -0.470 62.747 63.200 0.030 0.000 0.818 223 S HN 0.629 nan 8.310 nan 0.000 0.472 224 E N 1.610 121.841 120.200 0.051 0.000 2.049 224 E HA -0.159 4.191 4.350 0.000 0.000 0.198 224 E C 2.328 178.919 176.600 -0.015 0.000 1.007 224 E CA 1.429 57.867 56.400 0.062 0.000 0.809 224 E CB -0.526 29.265 29.700 0.151 0.000 0.749 224 E HN 0.706 nan 8.360 nan 0.000 0.450 225 A N 0.116 122.912 122.820 -0.039 0.000 1.877 225 A HA -0.152 4.168 4.320 0.000 0.000 0.216 225 A C 2.435 179.968 177.584 -0.085 0.000 1.186 225 A CA 1.441 53.392 52.037 -0.144 0.000 0.620 225 A CB -0.704 18.246 19.000 -0.084 0.000 0.822 225 A HN 0.201 nan 8.150 nan 0.000 0.443 226 V N 0.014 119.909 119.914 -0.033 0.000 2.332 226 V HA -0.302 3.818 4.120 0.000 0.000 0.248 226 V C 3.041 179.125 176.094 -0.015 0.000 1.055 226 V CA 2.039 64.329 62.300 -0.017 0.000 1.038 226 V CB -1.321 30.502 31.823 -0.000 0.000 0.651 226 V HN 0.639 nan 8.190 nan 0.000 0.450 227 A N -0.031 122.781 122.820 -0.013 0.000 1.845 227 A HA -0.176 4.144 4.320 0.000 0.000 0.215 227 A C 2.190 179.768 177.584 -0.012 0.000 1.195 227 A CA 1.999 54.033 52.037 -0.004 0.000 0.616 227 A CB -0.631 18.373 19.000 0.007 0.000 0.832 227 A HN 0.500 nan 8.150 nan 0.000 0.443 228 L N -0.668 120.530 121.223 -0.041 0.000 2.131 228 L HA -0.181 4.159 4.340 0.000 0.000 0.210 228 L C 2.472 179.326 176.870 -0.026 0.000 1.092 228 L CA 1.100 55.913 54.840 -0.045 0.000 0.759 228 L CB -0.575 41.413 42.059 -0.119 0.000 0.903 228 L HN 0.391 nan 8.230 nan 0.000 0.435 229 I N -0.189 120.358 120.570 -0.038 0.000 2.202 229 I HA -0.263 3.907 4.170 0.000 0.000 0.242 229 I C 2.489 178.616 176.117 0.016 0.000 1.091 229 I CA 1.315 62.606 61.300 -0.016 0.000 1.368 229 I CB -0.233 37.751 38.000 -0.028 0.000 1.058 229 I HN 0.140 nan 8.210 nan 0.000 0.410 230 K N 1.068 121.477 120.400 0.014 0.000 2.211 230 K HA -0.071 4.249 4.320 0.000 0.000 0.204 230 K C 1.070 177.696 176.600 0.042 0.000 1.047 230 K CA 0.774 57.076 56.287 0.025 0.000 0.935 230 K CB -0.167 32.343 32.500 0.017 0.000 0.728 230 K HN 0.320 nan 8.250 nan 0.000 0.452 234 P HA -0.170 nan 4.420 nan 0.000 0.216 234 P C 0.882 178.091 177.300 -0.153 0.000 1.153 234 P CA 1.235 64.264 63.100 -0.118 0.000 0.858 234 P CB -0.114 31.441 31.700 -0.242 0.000 0.789 235 H N -1.652 117.433 119.070 0.025 0.000 2.563 235 H HA 0.206 4.763 4.556 0.000 0.000 0.272 235 H C 0.843 176.194 175.328 0.038 0.000 1.005 235 H CA 1.024 57.088 56.048 0.027 0.000 1.171 235 H CB -0.386 29.392 29.762 0.026 0.000 1.351 235 H HN 0.170 nan 8.280 nan 0.000 0.602 236 G N 1.595 110.471 108.800 0.127 0.000 2.799 236 G HA2 -0.216 3.744 3.960 0.000 0.000 0.271 236 G HA3 -0.216 3.744 3.960 0.000 0.000 0.271 236 G C -0.610 174.369 174.900 0.132 0.000 1.067 236 G CA -0.367 44.796 45.100 0.105 0.000 1.251 236 G HN 0.238 nan 8.290 nan 0.000 0.560 237 L N 2.616 123.914 121.223 0.125 0.000 2.361 237 L HA 0.613 4.953 4.340 0.000 0.000 0.278 237 L C 1.320 178.292 176.870 0.170 0.000 1.113 237 L CA -0.657 54.254 54.840 0.118 0.000 0.849 237 L CB 0.234 42.337 42.059 0.074 0.000 1.155 237 L HN 0.536 nan 8.230 nan 0.000 0.452 238 W N 7.060 128.318 121.300 -0.069 0.000 2.348 238 W HA -0.050 4.610 4.660 0.000 0.000 0.324 238 W C 0.075 176.604 176.519 0.017 0.000 1.209 238 W CA 1.521 58.831 57.345 -0.058 0.000 1.275 238 W CB -0.363 29.008 29.460 -0.149 0.000 1.175 238 W HN 0.479 nan 8.180 nan 0.000 0.461 239 F N -2.193 117.646 119.950 -0.185 0.000 2.685 239 F HA 0.726 5.253 4.527 0.000 0.000 0.315 239 F C -0.894 174.744 175.800 -0.269 0.000 1.126 239 F CA -2.075 55.747 58.000 -0.297 0.000 0.950 239 F CB 0.415 39.098 39.000 -0.528 0.000 1.360 239 F HN 0.011 nan 8.300 nan 0.000 0.469 240 A N 1.401 124.272 122.820 0.086 0.000 2.256 240 A HA 0.524 4.844 4.320 0.000 0.000 0.317 240 A C -0.677 176.930 177.584 0.038 0.000 1.318 240 A CA -0.485 51.540 52.037 -0.020 0.000 0.894 240 A CB 0.450 19.416 19.000 -0.056 0.000 1.165 240 A HN 0.844 nan 8.150 nan 0.000 0.525 241 E N 2.748 122.951 120.200 0.005 0.000 2.227 241 E HA 0.493 4.843 4.350 0.000 0.000 0.282 241 E C 0.354 176.780 176.600 -0.289 0.000 1.015 241 E CA 0.033 56.371 56.400 -0.104 0.000 0.823 241 E CB 0.865 30.554 29.700 -0.019 0.000 1.081 241 E HN 1.686 nan 8.360 nan 0.000 0.396 242 A N 5.380 127.974 122.820 -0.377 0.000 2.312 242 A HA -0.113 4.207 4.320 0.000 0.000 0.286 242 A C -1.732 175.637 177.584 -0.358 0.000 1.425 242 A CA 0.483 52.185 52.037 -0.558 0.000 0.748 242 A CB -1.178 17.006 19.000 -1.360 0.000 1.126 242 A HN 0.741 nan 8.150 nan 0.000 0.368 243 P HA 0.063 nan 4.420 nan 0.000 0.225 243 P C 0.751 178.101 177.300 0.084 0.000 1.156 243 P CA 1.822 64.894 63.100 -0.048 0.000 0.787 243 P CB -0.218 31.450 31.700 -0.053 0.000 0.802 244 V N -4.347 115.619 119.914 0.086 0.000 3.156 244 V HA 0.581 4.701 4.120 0.000 0.000 0.310 244 V C -0.137 176.123 176.094 0.278 0.000 1.234 244 V CA -1.578 60.828 62.300 0.176 0.000 1.065 244 V CB 1.781 33.682 31.823 0.130 0.000 1.088 244 V HN -0.302 nan 8.190 nan 0.000 0.451 245 R N 0.617 121.263 120.500 0.242 0.000 2.643 245 R HA 0.281 4.621 4.340 0.000 0.000 0.270 245 R C 1.363 177.794 176.300 0.217 0.000 1.061 245 R CA 0.596 56.836 56.100 0.234 0.000 1.107 245 R CB 0.668 31.033 30.300 0.109 0.000 0.999 245 R HN 0.973 nan 8.270 nan 0.000 0.460 246 T N 2.145 116.808 114.554 0.182 0.000 2.699 246 T HA -0.159 4.191 4.350 0.000 0.000 0.268 246 T C 1.126 175.893 174.700 0.113 0.000 1.036 246 T CA 1.660 63.862 62.100 0.170 0.000 1.147 246 T CB 0.013 68.926 68.868 0.074 0.000 0.862 246 T HN 0.536 nan 8.240 nan 0.000 0.446 247 E N 0.920 121.151 120.200 0.052 0.000 2.478 247 E HA -0.001 4.349 4.350 0.000 0.000 0.198 247 E C 0.662 177.284 176.600 0.037 0.000 1.046 247 E CA 0.321 56.736 56.400 0.026 0.000 0.870 247 E CB -0.045 29.654 29.700 -0.002 0.000 0.818 247 E HN 0.255 nan 8.360 nan 0.000 0.527 248 D N 0.425 120.863 120.400 0.064 0.000 2.741 248 D HA 0.048 4.688 4.640 0.000 0.000 0.233 248 D C 0.882 177.219 176.300 0.062 0.000 1.160 248 D CA -0.078 53.957 54.000 0.059 0.000 1.003 248 D CB -0.130 40.714 40.800 0.072 0.000 1.064 248 D HN -0.024 nan 8.370 nan 0.000 0.503 249 I N 0.155 120.752 120.570 0.045 0.000 2.142 249 I HA -0.212 3.958 4.170 0.000 0.000 0.240 249 I C 1.491 177.628 176.117 0.033 0.000 1.078 249 I CA 1.023 62.346 61.300 0.039 0.000 1.343 249 I CB -0.664 37.343 38.000 0.012 0.000 1.046 249 I HN 0.168 nan 8.210 nan 0.000 0.405 250 D N 1.330 121.744 120.400 0.023 0.000 2.104 250 D HA -0.124 4.516 4.640 0.000 0.000 0.194 250 D C 2.345 178.662 176.300 0.027 0.000 0.994 250 D CA 1.730 55.742 54.000 0.021 0.000 0.830 250 D CB -0.360 40.449 40.800 0.015 0.000 0.959 250 D HN 0.402 nan 8.370 nan 0.000 0.452 251 G N 0.432 109.253 108.800 0.035 0.000 2.442 251 G HA2 -0.253 3.707 3.960 0.000 0.000 0.219 251 G HA3 -0.253 3.707 3.960 0.000 0.000 0.219 251 G C 1.514 176.439 174.900 0.043 0.000 1.141 251 G CA 0.687 45.812 45.100 0.041 0.000 0.763 251 G HN 0.236 nan 8.290 nan 0.000 0.554 252 L N 1.176 122.429 121.223 0.049 0.000 2.093 252 L HA 0.237 4.577 4.340 0.000 0.000 0.208 252 L C 3.015 179.906 176.870 0.034 0.000 1.085 252 L CA 2.040 56.909 54.840 0.048 0.000 0.755 252 L CB -0.634 41.466 42.059 0.069 0.000 0.904 252 L HN 0.217 nan 8.230 nan 0.000 0.435 253 A N -0.364 122.475 122.820 0.031 0.000 1.877 253 A HA -0.233 4.087 4.320 0.000 0.000 0.216 253 A C 2.428 180.023 177.584 0.019 0.000 1.186 253 A CA 1.678 53.729 52.037 0.022 0.000 0.620 253 A CB -0.622 18.389 19.000 0.018 0.000 0.822 253 A HN 0.442 nan 8.150 nan 0.000 0.443 254 R N -0.013 120.499 120.500 0.020 0.000 2.091 254 R HA -0.088 4.252 4.340 0.000 0.000 0.238 254 R C 1.830 178.139 176.300 0.015 0.000 1.136 254 R CA 2.040 58.150 56.100 0.017 0.000 0.959 254 R CB -1.204 29.108 30.300 0.019 0.000 0.856 254 R HN 0.277 nan 8.270 nan 0.000 0.437 255 V N 0.577 120.501 119.914 0.016 0.000 2.343 255 V HA -0.192 3.928 4.120 0.000 0.000 0.247 255 V C 2.320 178.418 176.094 0.007 0.000 1.051 255 V CA 1.928 64.233 62.300 0.009 0.000 1.036 255 V CB -0.899 30.928 31.823 0.006 0.000 0.654 255 V HN 0.519 nan 8.190 nan 0.000 0.451 256 A N -0.196 122.630 122.820 0.009 0.000 1.968 256 A HA 0.042 4.362 4.320 0.000 0.000 0.217 256 A C 2.280 179.870 177.584 0.010 0.000 1.169 256 A CA 1.625 53.667 52.037 0.008 0.000 0.638 256 A CB -0.534 18.473 19.000 0.010 0.000 0.812 256 A HN 0.561 nan 8.150 nan 0.000 0.446 257 A N -1.025 121.801 122.820 0.011 0.000 2.167 257 A HA 0.182 4.502 4.320 0.000 0.000 0.214 257 A C 2.014 179.604 177.584 0.010 0.000 1.151 257 A CA 1.442 53.485 52.037 0.010 0.000 0.735 257 A CB -0.257 18.750 19.000 0.010 0.000 0.802 257 A HN 0.382 nan 8.150 nan 0.000 0.467 258 S N -1.206 114.500 115.700 0.009 0.000 2.505 258 S HA 0.255 4.725 4.470 0.000 0.000 0.216 258 S C 0.594 175.200 174.600 0.009 0.000 1.018 258 S CA 0.416 58.622 58.200 0.009 0.000 0.911 258 S CB 0.205 63.411 63.200 0.009 0.000 0.818 258 S HN 0.647 nan 8.310 nan 0.000 0.497 259 V N -0.995 118.924 119.914 0.009 0.000 3.046 259 V HA 0.637 4.757 4.120 0.000 0.000 0.316 259 V C 0.671 176.775 176.094 0.016 0.000 1.104 259 V CA -0.681 61.626 62.300 0.012 0.000 1.006 259 V CB 1.625 33.453 31.823 0.009 0.000 1.058 259 V HN 0.035 nan 8.190 nan 0.000 0.440 260 S N 0.280 115.993 115.700 0.021 0.000 2.362 260 S HA -0.028 4.442 4.470 0.000 0.000 0.221 260 S C 1.225 175.847 174.600 0.036 0.000 1.032 260 S CA 1.294 59.510 58.200 0.027 0.000 0.973 260 S CB -0.338 62.880 63.200 0.030 0.000 0.849 260 S HN 1.147 nan 8.310 nan 0.000 0.465 261 T N 2.387 116.966 114.554 0.041 0.000 2.906 261 T HA 0.355 4.705 4.350 0.000 0.000 0.320 261 T C 0.119 174.848 174.700 0.050 0.000 1.088 261 T CA -0.224 61.911 62.100 0.058 0.000 1.120 261 T CB 0.244 69.145 68.868 0.056 0.000 1.000 261 T HN 0.316 nan 8.240 nan 0.000 0.550 262 A N 5.336 128.199 122.820 0.072 0.000 2.524 262 A HA 0.430 4.750 4.320 0.000 0.000 0.250 262 A C 0.412 178.001 177.584 0.008 0.000 1.078 262 A CA -0.436 51.623 52.037 0.038 0.000 0.761 262 A CB -0.341 18.688 19.000 0.047 0.000 1.012 262 A HN 0.747 nan 8.150 nan 0.000 0.500 263 I N 2.005 122.554 120.570 -0.036 0.000 2.342 263 I HA 0.443 4.613 4.170 0.000 0.000 0.291 263 I C 0.673 176.694 176.117 -0.161 0.000 1.010 263 I CA -0.239 61.021 61.300 -0.068 0.000 1.308 263 I CB 0.688 38.663 38.000 -0.043 0.000 1.400 263 I HN 0.671 nan 8.210 nan 0.000 0.488 264 A N 7.410 130.083 122.820 -0.245 0.000 2.303 264 A HA 0.811 5.131 4.320 0.000 0.000 0.320 264 A C -0.310 177.070 177.584 -0.339 0.000 1.192 264 A CA -0.412 51.379 52.037 -0.411 0.000 0.821 264 A CB 1.316 19.818 19.000 -0.829 0.000 1.188 264 A HN 0.630 nan 8.150 nan 0.000 0.492 265 V N -0.580 119.120 119.914 -0.356 0.000 3.182 265 V HA 0.986 5.106 4.120 0.000 0.000 0.308 265 V C 0.476 176.091 176.094 -0.797 0.000 1.240 265 V CA -0.156 61.875 62.300 -0.447 0.000 1.063 265 V CB 1.131 32.790 31.823 -0.274 0.000 1.076 265 V HN 2.344 nan 8.190 nan 0.000 0.446 266 G N 0.387 108.507 108.800 -1.134 0.000 2.227 266 G HA2 -0.180 3.780 3.960 0.000 0.000 0.168 266 G HA3 -0.180 3.780 3.960 0.000 0.000 0.168 266 G C 0.593 174.926 174.900 -0.945 0.000 1.006 266 G CA 0.704 44.659 45.100 -1.909 0.000 0.684 266 G HN 1.445 nan 8.290 nan 0.000 0.489 267 E N 0.968 120.830 120.200 -0.563 0.000 2.265 267 E HA -0.125 4.226 4.350 0.000 0.000 0.196 267 E C 1.580 178.028 176.600 -0.253 0.000 0.996 267 E CA 1.386 57.546 56.400 -0.400 0.000 0.832 267 E CB -0.167 29.169 29.700 -0.607 0.000 0.756 267 E HN 0.562 nan 8.360 nan 0.000 0.491 268 E N 0.008 120.057 120.200 -0.251 0.000 2.501 268 E HA 0.027 4.377 4.350 0.000 0.000 0.200 268 E C -0.430 176.134 176.600 -0.060 0.000 1.016 268 E CA -0.511 55.780 56.400 -0.182 0.000 0.921 268 E CB -0.145 29.434 29.700 -0.201 0.000 1.034 268 E HN 0.189 nan 8.360 nan 0.000 0.468 269 W N 1.113 122.345 121.300 -0.113 0.000 2.141 269 W HA 0.354 5.014 4.660 0.000 0.000 0.354 269 W C 1.484 177.941 176.519 -0.103 0.000 1.297 269 W CA -0.778 56.504 57.345 -0.105 0.000 1.380 269 W CB 0.498 29.912 29.460 -0.076 0.000 1.168 269 W HN -0.020 nan 8.180 nan 0.000 0.639 270 R N -0.325 120.280 120.500 0.175 0.000 2.225 270 R HA 0.104 4.444 4.340 0.000 0.000 0.194 270 R C 0.617 176.998 176.300 0.135 0.000 0.949 270 R CA 0.873 57.045 56.100 0.120 0.000 1.088 270 R CB -0.441 29.916 30.300 0.094 0.000 1.106 270 R HN 0.566 nan 8.270 nan 0.000 0.566 271 T N -3.455 111.149 114.554 0.085 0.000 2.887 271 T HA 0.233 4.583 4.350 0.000 0.000 0.292 271 T C 0.971 175.595 174.700 -0.127 0.000 1.087 271 T CA -0.534 61.570 62.100 0.006 0.000 1.009 271 T CB 1.876 70.771 68.868 0.045 0.000 1.203 271 T HN -0.194 nan 8.240 nan 0.000 0.518 272 V N 0.875 120.637 119.914 -0.253 0.000 2.688 272 V HA -0.182 3.939 4.120 0.000 0.000 0.256 272 V C 2.181 177.985 176.094 -0.483 0.000 1.084 272 V CA 1.800 63.879 62.300 -0.369 0.000 1.103 272 V CB -1.331 30.261 31.823 -0.386 0.000 0.688 272 V HN 0.910 nan 8.190 nan 0.000 0.480 273 H N -0.151 118.758 119.070 -0.268 0.000 2.423 273 H HA 0.000 4.556 4.556 0.000 0.000 0.297 273 H C 1.074 176.182 175.328 -0.367 0.000 1.075 273 H CA 1.079 56.960 56.048 -0.278 0.000 1.342 273 H CB -0.237 29.424 29.762 -0.169 0.000 1.395 273 H HN 0.513 nan 8.280 nan 0.000 0.530 277 P HA -0.075 nan 4.420 nan 0.000 0.223 277 P C 1.253 178.489 177.300 -0.105 0.000 1.151 277 P CA 1.272 64.289 63.100 -0.138 0.000 0.787 277 P CB 0.118 31.733 31.700 -0.141 0.000 0.788 278 R N 0.144 120.566 120.500 -0.131 0.000 2.062 278 R HA -0.032 4.308 4.340 0.000 0.000 0.226 278 R C 2.425 178.715 176.300 -0.015 0.000 1.125 278 R CA 1.061 57.140 56.100 -0.035 0.000 0.966 278 R CB -1.772 28.559 30.300 0.053 0.000 0.861 278 R HN 0.127 nan 8.270 nan 0.000 0.433 279 V N 0.248 120.140 119.914 -0.036 0.000 2.515 279 V HA -0.068 4.052 4.120 0.000 0.000 0.250 279 V C 1.924 177.971 176.094 -0.078 0.000 1.058 279 V CA 1.857 64.128 62.300 -0.049 0.000 1.064 279 V CB -0.477 31.300 31.823 -0.076 0.000 0.675 279 V HN 0.298 nan 8.190 nan 0.000 0.461 280 A N 0.741 123.523 122.820 -0.065 0.000 1.917 280 A HA -0.213 4.107 4.320 0.000 0.000 0.219 280 A C 2.277 179.849 177.584 -0.020 0.000 1.182 280 A CA 2.126 54.141 52.037 -0.038 0.000 0.633 280 A CB -0.605 18.377 19.000 -0.029 0.000 0.819 280 A HN 0.622 nan 8.150 nan 0.000 0.448 281 R N -1.115 119.374 120.500 -0.017 0.000 2.449 281 R HA 0.213 4.553 4.340 0.000 0.000 0.262 281 R C -0.212 176.090 176.300 0.004 0.000 1.006 281 R CA -0.114 55.983 56.100 -0.004 0.000 1.104 281 R CB -0.093 30.206 30.300 -0.002 0.000 1.206 281 R HN 0.492 nan 8.270 nan 0.000 0.538 282 R N -0.933 119.567 120.500 0.001 0.000 3.301 282 R HA -0.249 4.091 4.340 0.000 0.000 0.249 282 R C 0.494 176.804 176.300 0.016 0.000 0.964 282 R CA 0.520 56.626 56.100 0.010 0.000 0.653 282 R CB -1.628 28.680 30.300 0.013 0.000 1.043 282 R HN 0.307 nan 8.270 nan 0.000 0.454 283 A N 0.208 123.042 122.820 0.023 0.000 2.308 283 A HA 0.319 4.639 4.320 0.000 0.000 0.217 283 A C 0.744 178.348 177.584 0.033 0.000 1.216 283 A CA 0.213 52.269 52.037 0.031 0.000 0.864 283 A CB 0.227 19.253 19.000 0.043 0.000 0.902 283 A HN 0.391 nan 8.150 nan 0.000 0.499 284 L N -6.868 114.374 121.223 0.031 0.000 2.479 284 L HA 0.909 5.249 4.340 0.000 0.000 0.255 284 L C 0.183 177.052 176.870 -0.003 0.000 1.026 284 L CA -0.505 54.341 54.840 0.010 0.000 0.842 284 L CB 1.797 43.876 42.059 0.034 0.000 1.444 284 L HN -0.131 nan 8.230 nan 0.000 0.409 285 A N 1.061 123.857 122.820 -0.041 0.000 2.358 285 A HA 0.643 4.963 4.320 0.000 0.000 0.223 285 A C 0.386 177.926 177.584 -0.074 0.000 1.218 285 A CA 0.248 52.265 52.037 -0.034 0.000 0.942 285 A CB 0.220 19.205 19.000 -0.025 0.000 1.005 285 A HN 0.553 nan 8.150 nan 0.000 0.514 286 I N 1.246 121.728 120.570 -0.146 0.000 2.569 286 I HA 0.363 4.533 4.170 0.000 0.000 0.290 286 I C -0.833 175.150 176.117 -0.222 0.000 1.088 286 I CA -1.199 59.964 61.300 -0.228 0.000 1.047 286 I CB 2.414 40.142 38.000 -0.454 0.000 1.237 286 I HN 0.016 nan 8.210 nan 0.000 0.421 287 V N 2.847 122.656 119.914 -0.175 0.000 2.539 287 V HA 0.529 4.649 4.120 0.000 0.000 0.292 287 V C -0.340 175.591 176.094 -0.272 0.000 1.045 287 V CA -0.438 61.742 62.300 -0.201 0.000 0.945 287 V CB 1.375 33.152 31.823 -0.077 0.000 0.993 287 V HN 0.817 nan 8.190 nan 0.000 0.464 288 Q N 4.233 123.829 119.800 -0.341 0.000 2.907 288 Q HA 0.379 4.719 4.340 0.000 0.000 0.262 288 Q C -2.679 173.184 176.000 -0.229 0.000 0.997 288 Q CA -1.681 53.964 55.803 -0.263 0.000 0.797 288 Q CB 1.788 30.375 28.738 -0.251 0.000 1.228 288 Q HN 0.669 nan 8.270 nan 0.000 0.466 289 P HA 0.052 nan 4.420 nan 0.000 0.275 289 P C -0.361 177.004 177.300 0.108 0.000 1.228 289 P CA -0.075 62.943 63.100 -0.136 0.000 0.786 289 P CB 1.395 32.836 31.700 -0.432 0.000 0.927 293 H N 0.605 119.602 119.070 -0.122 0.000 2.562 293 H HA 0.340 4.896 4.556 0.000 0.000 0.267 293 H C 2.060 177.377 175.328 -0.018 0.000 0.959 293 H CA 0.907 56.870 56.048 -0.142 0.000 1.204 293 H CB 0.724 30.351 29.762 -0.225 0.000 1.430 293 H HN 0.383 nan 8.280 nan 0.000 0.545 294 K N -0.590 119.900 120.400 0.150 0.000 2.325 294 K HA 0.309 4.629 4.320 0.000 0.000 0.203 294 K C 0.566 177.236 176.600 0.117 0.000 1.128 294 K CA 0.550 56.932 56.287 0.158 0.000 0.931 294 K CB 1.263 33.884 32.500 0.200 0.000 1.125 294 K HN 0.254 nan 8.250 nan 0.000 0.487 295 G N 1.133 109.988 108.800 0.091 0.000 2.699 295 G HA2 -0.219 3.741 3.960 0.000 0.000 0.686 295 G HA3 -0.219 3.741 3.960 0.000 0.000 0.686 295 G C 0.322 175.204 174.900 -0.029 0.000 1.301 295 G CA -0.506 44.619 45.100 0.042 0.000 0.816 295 G HN 0.093 nan 8.290 nan 0.000 0.595 296 I N 0.666 121.150 120.570 -0.143 0.000 2.252 296 I HA -0.153 4.017 4.170 0.000 0.000 0.245 296 I C 3.063 178.999 176.117 -0.302 0.000 1.102 296 I CA 2.250 63.326 61.300 -0.373 0.000 1.385 296 I CB -0.456 37.031 38.000 -0.855 0.000 1.064 296 I HN 0.750 nan 8.210 nan 0.000 0.414 297 T N 0.148 114.593 114.554 -0.182 0.000 2.607 297 T HA -0.242 4.108 4.350 0.000 0.000 0.267 297 T C 1.890 176.511 174.700 -0.133 0.000 1.049 297 T CA 1.295 63.339 62.100 -0.093 0.000 1.162 297 T CB -0.246 68.561 68.868 -0.102 0.000 0.863 297 T HN 0.306 nan 8.240 nan 0.000 0.424 298 Q N -0.210 119.483 119.800 -0.178 0.000 2.079 298 Q HA 0.131 4.471 4.340 0.000 0.000 0.200 298 Q C 1.256 177.261 176.000 0.008 0.000 0.974 298 Q CA 0.379 56.132 55.803 -0.083 0.000 0.840 298 Q CB -0.601 28.115 28.738 -0.038 0.000 0.898 298 Q HN 0.513 nan 8.270 nan 0.000 0.430 302 I N 1.126 121.657 120.570 -0.064 0.000 2.252 302 I HA -0.120 4.050 4.170 0.000 0.000 0.245 302 I C 2.389 178.490 176.117 -0.028 0.000 1.102 302 I CA 2.004 63.273 61.300 -0.051 0.000 1.385 302 I CB -0.232 37.706 38.000 -0.103 0.000 1.064 302 I HN 0.369 nan 8.210 nan 0.000 0.414 303 G N 0.226 108.965 108.800 -0.102 0.000 2.442 303 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 303 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 303 G C 1.813 176.729 174.900 0.026 0.000 1.141 303 G CA 0.852 45.913 45.100 -0.066 0.000 0.763 303 G HN 0.497 nan 8.290 nan 0.000 0.554 304 A N -0.355 122.487 122.820 0.037 0.000 1.897 304 A HA 0.057 4.378 4.320 0.000 0.000 0.215 304 A C 2.206 179.859 177.584 0.115 0.000 1.181 304 A CA 1.489 53.556 52.037 0.050 0.000 0.620 304 A CB -0.606 18.410 19.000 0.026 0.000 0.821 304 A HN 0.387 nan 8.150 nan 0.000 0.443 305 Y N 0.533 120.846 120.300 0.021 0.000 2.145 305 Y HA -0.125 4.425 4.550 0.000 0.000 0.286 305 Y C 2.784 178.751 175.900 0.112 0.000 1.145 305 Y CA 1.180 59.327 58.100 0.078 0.000 1.148 305 Y CB -0.548 37.938 38.460 0.042 0.000 0.981 305 Y HN 0.341 nan 8.280 nan 0.000 0.507 306 A N -0.375 122.553 122.820 0.181 0.000 1.869 306 A HA -0.396 3.924 4.320 0.000 0.000 0.218 306 A C 2.043 179.626 177.584 -0.003 0.000 1.203 306 A CA 2.441 54.530 52.037 0.087 0.000 0.638 306 A CB -1.616 17.416 19.000 0.053 0.000 0.831 306 A HN 0.728 nan 8.150 nan 0.000 0.450 307 H N -0.611 118.404 119.070 -0.091 0.000 2.265 307 H HA -0.153 4.403 4.556 0.000 0.000 0.293 307 H C 1.916 177.037 175.328 -0.345 0.000 1.089 307 H CA 2.583 58.530 56.048 -0.167 0.000 1.244 307 H CB -0.316 29.377 29.762 -0.115 0.000 1.355 307 H HN 0.139 nan 8.280 nan 0.000 0.485 308 V N 0.357 120.135 119.914 -0.226 0.000 2.287 308 V HA -0.273 3.848 4.120 0.000 0.000 0.248 308 V C 1.585 177.232 176.094 -0.745 0.000 1.053 308 V CA 2.255 64.267 62.300 -0.479 0.000 1.027 308 V CB -0.520 30.995 31.823 -0.513 0.000 0.646 308 V HN 0.649 nan 8.190 nan 0.000 0.447 309 H N -0.876 117.954 119.070 -0.401 0.000 2.537 309 H HA 0.188 4.744 4.556 0.000 0.000 0.295 309 H C 0.282 175.580 175.328 -0.049 0.000 1.054 309 H CA 0.110 56.041 56.048 -0.195 0.000 1.156 309 H CB -0.444 29.206 29.762 -0.186 0.000 1.468 309 H HN 0.685 nan 8.280 nan 0.000 0.551 310 H N -0.633 118.393 119.070 -0.074 0.000 2.677 310 H HA -0.146 4.410 4.556 0.000 0.000 0.321 310 H C -0.341 174.974 175.328 -0.023 0.000 1.171 310 H CA 0.466 56.468 56.048 -0.076 0.000 1.139 310 H CB -2.267 27.450 29.762 -0.074 0.000 1.515 310 H HN 0.404 nan 8.280 nan 0.000 0.423 311 I N 0.256 120.853 120.570 0.045 0.000 2.474 311 I HA 0.252 4.422 4.170 0.000 0.000 0.294 311 I C 0.489 176.613 176.117 0.011 0.000 1.005 311 I CA -1.117 60.207 61.300 0.040 0.000 1.113 311 I CB 1.601 39.635 38.000 0.056 0.000 1.289 311 I HN 0.010 nan 8.210 nan 0.000 0.436 312 K N 3.863 124.260 120.400 -0.004 0.000 2.237 312 K HA 0.443 4.764 4.320 0.000 0.000 0.270 312 K C -1.075 175.496 176.600 -0.048 0.000 1.015 312 K CA -0.147 56.135 56.287 -0.009 0.000 0.949 312 K CB 1.081 33.580 32.500 -0.002 0.000 0.976 312 K HN 0.292 nan 8.250 nan 0.000 0.472 313 V N 5.629 125.524 119.914 -0.031 0.000 2.357 313 V HA 0.424 4.544 4.120 0.000 0.000 0.284 313 V C -0.303 175.765 176.094 -0.044 0.000 1.018 313 V CA -0.619 61.639 62.300 -0.070 0.000 0.841 313 V CB 0.936 32.718 31.823 -0.068 0.000 0.991 313 V HN 0.596 nan 8.190 nan 0.000 0.437 314 I N 6.681 127.190 120.570 -0.101 0.000 2.537 314 I HA 0.339 4.509 4.170 0.000 0.000 0.276 314 I C -2.629 173.441 176.117 -0.078 0.000 1.063 314 I CA -1.833 59.445 61.300 -0.037 0.000 1.144 314 I CB 2.003 39.949 38.000 -0.090 0.000 1.252 314 I HN 0.397 nan 8.210 nan 0.000 0.480 315 P HA -0.017 nan 4.420 nan 0.000 0.267 315 P C -0.242 176.953 177.300 -0.175 0.000 1.200 315 P CA 0.306 63.276 63.100 -0.216 0.000 0.772 315 P CB 0.434 31.909 31.700 -0.374 0.000 0.855 316 H N 1.577 120.595 119.070 -0.087 0.000 2.581 316 H HA 0.566 5.122 4.556 0.000 0.000 0.369 316 H C -0.861 174.524 175.328 0.095 0.000 1.351 316 H CA -0.402 55.655 56.048 0.016 0.000 1.434 316 H CB 0.761 30.543 29.762 0.034 0.000 1.558 316 H HN 0.448 nan 8.280 nan 0.000 0.608 317 A N 1.674 124.170 122.820 -0.541 0.000 2.520 317 A HA 0.515 4.835 4.320 0.000 0.000 0.298 317 A C -0.817 176.569 177.584 -0.331 0.000 1.051 317 A CA -0.338 51.586 52.037 -0.187 0.000 0.690 317 A CB 1.481 20.498 19.000 0.029 0.000 1.281 317 A HN 0.785 nan 8.150 nan 0.000 0.402 318 T N -0.662 113.903 114.554 0.019 0.000 2.865 318 T HA 0.644 4.995 4.350 0.000 0.000 0.294 318 T C -0.114 174.625 174.700 0.066 0.000 1.119 318 T CA -0.733 61.388 62.100 0.035 0.000 1.007 318 T CB 0.564 69.442 68.868 0.017 0.000 1.225 318 T HN 1.144 nan 8.240 nan 0.000 0.515 319 I N 0.171 120.742 120.570 0.000 0.000 2.775 319 I HA 0.578 4.748 4.170 0.000 0.000 0.290 319 I C 0.799 176.890 176.117 -0.044 0.000 1.203 319 I CA 0.284 61.563 61.300 -0.035 0.000 1.433 319 I CB -0.907 37.073 38.000 -0.033 0.000 1.354 319 I HN 1.119 nan 8.210 nan 0.000 0.579 320 G N 2.739 111.430 108.800 -0.182 0.000 2.506 320 G HA2 0.566 4.526 3.960 0.000 0.000 0.292 320 G HA3 0.566 4.526 3.960 0.000 0.000 0.292 320 G C 0.058 174.726 174.900 -0.387 0.000 1.425 320 G CA -0.373 44.513 45.100 -0.356 0.000 0.788 320 G HN 0.788 nan 8.290 nan 0.000 0.490 321 A N -1.344 121.241 122.820 -0.392 0.000 2.070 321 A HA 0.419 4.739 4.320 0.000 0.000 0.220 321 A C 2.092 179.442 177.584 -0.390 0.000 1.159 321 A CA 2.323 54.156 52.037 -0.339 0.000 0.656 321 A CB -0.627 18.194 19.000 -0.298 0.000 0.800 321 A HN 2.769 nan 8.150 nan 0.000 0.453 322 G N -1.698 106.806 108.800 -0.493 0.000 2.211 322 G HA2 -0.219 3.741 3.960 0.000 0.000 0.201 322 G HA3 -0.219 3.741 3.960 0.000 0.000 0.201 322 G C 0.814 175.492 174.900 -0.369 0.000 0.997 322 G CA 0.262 45.105 45.100 -0.428 0.000 0.652 322 G HN 0.219 nan 8.290 nan 0.000 0.500 323 I N 1.627 121.970 120.570 -0.379 0.000 2.058 323 I HA -0.069 4.101 4.170 0.000 0.000 0.235 323 I C 2.819 178.853 176.117 -0.138 0.000 1.053 323 I CA 2.430 63.607 61.300 -0.206 0.000 1.313 323 I CB -1.834 36.108 38.000 -0.097 0.000 1.039 323 I HN 0.401 nan 8.210 nan 0.000 0.396 324 F N 1.033 120.965 119.950 -0.030 0.000 2.269 324 F HA -0.121 4.406 4.527 0.000 0.000 0.301 324 F C 2.276 178.031 175.800 -0.076 0.000 1.082 324 F CA 0.646 58.623 58.000 -0.039 0.000 1.360 324 F CB -1.599 37.399 39.000 -0.003 0.000 1.041 324 F HN -0.010 nan 8.300 nan 0.000 0.512 325 L N 1.599 122.779 121.223 -0.073 0.000 2.046 325 L HA -0.011 4.329 4.340 0.000 0.000 0.208 325 L C 2.509 179.311 176.870 -0.112 0.000 1.077 325 L CA 1.749 56.562 54.840 -0.046 0.000 0.747 325 L CB -1.365 40.630 42.059 -0.107 0.000 0.896 325 L HN 0.225 nan 8.230 nan 0.000 0.432 326 A N -0.558 122.193 122.820 -0.116 0.000 1.877 326 A HA -0.109 4.211 4.320 0.000 0.000 0.216 326 A C 2.477 180.002 177.584 -0.098 0.000 1.186 326 A CA 1.863 53.842 52.037 -0.098 0.000 0.620 326 A CB -1.245 17.707 19.000 -0.079 0.000 0.822 326 A HN 0.559 nan 8.150 nan 0.000 0.443 327 A N -0.725 122.050 122.820 -0.074 0.000 1.917 327 A HA -0.184 4.136 4.320 0.000 0.000 0.219 327 A C 2.497 179.928 177.584 -0.255 0.000 1.182 327 A CA 2.412 54.377 52.037 -0.119 0.000 0.633 327 A CB -1.073 17.891 19.000 -0.060 0.000 0.819 327 A HN 0.577 nan 8.150 nan 0.000 0.448 328 S N -0.692 114.864 115.700 -0.241 0.000 2.368 328 S HA -0.094 4.377 4.470 0.000 0.000 0.225 328 S C 1.932 176.387 174.600 -0.242 0.000 1.030 328 S CA 1.463 59.450 58.200 -0.356 0.000 0.999 328 S CB -0.445 62.740 63.200 -0.025 0.000 0.844 328 S HN 0.497 nan 8.310 nan 0.000 0.459 329 L N 1.030 122.126 121.223 -0.212 0.000 2.056 329 L HA -0.088 4.252 4.340 0.000 0.000 0.207 329 L C 2.981 179.786 176.870 -0.108 0.000 1.078 329 L CA 1.068 55.794 54.840 -0.190 0.000 0.749 329 L CB -0.664 41.258 42.059 -0.229 0.000 0.901 329 L HN 0.349 nan 8.230 nan 0.000 0.433 330 Q N -0.037 119.692 119.800 -0.117 0.000 2.096 330 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 330 Q C 2.368 178.307 176.000 -0.102 0.000 0.982 330 Q CA 1.928 57.677 55.803 -0.090 0.000 0.850 330 Q CB -0.363 28.323 28.738 -0.087 0.000 0.901 330 Q HN 0.544 nan 8.270 nan 0.000 0.422 331 A N 0.557 123.270 122.820 -0.179 0.000 1.898 331 A HA -0.110 4.210 4.320 0.000 0.000 0.216 331 A C 2.421 180.038 177.584 0.055 0.000 1.181 331 A CA 1.646 53.606 52.037 -0.128 0.000 0.620 331 A CB -0.428 18.380 19.000 -0.322 0.000 0.819 331 A HN 0.323 nan 8.150 nan 0.000 0.442 332 S N 0.100 115.851 115.700 0.085 0.000 2.423 332 S HA 0.009 4.480 4.470 0.000 0.000 0.231 332 S C 2.110 176.767 174.600 0.095 0.000 1.014 332 S CA 0.931 59.233 58.200 0.170 0.000 0.965 332 S CB -0.344 62.991 63.200 0.226 0.000 0.785 332 S HN 0.774 nan 8.310 nan 0.000 0.495 333 A N 0.870 123.716 122.820 0.043 0.000 2.067 333 A HA 0.299 4.619 4.320 0.000 0.000 0.219 333 A C 2.021 179.624 177.584 0.032 0.000 1.158 333 A CA 1.356 53.412 52.037 0.033 0.000 0.661 333 A CB -0.449 18.558 19.000 0.012 0.000 0.801 333 A HN 0.506 nan 8.150 nan 0.000 0.452 334 A N -1.291 121.546 122.820 0.029 0.000 2.343 334 A HA 0.549 4.869 4.320 0.000 0.000 0.223 334 A C 0.568 178.166 177.584 0.024 0.000 1.214 334 A CA -0.244 51.804 52.037 0.018 0.000 0.900 334 A CB 0.017 19.013 19.000 -0.005 0.000 0.942 334 A HN 0.346 nan 8.150 nan 0.000 0.507 335 L N -0.310 120.946 121.223 0.055 0.000 2.312 335 L HA 0.428 4.768 4.340 0.000 0.000 0.281 335 L C 1.577 178.488 176.870 0.069 0.000 1.070 335 L CA -0.437 54.438 54.840 0.058 0.000 0.805 335 L CB 1.667 43.781 42.059 0.091 0.000 1.174 335 L HN 0.251 nan 8.230 nan 0.000 0.434 336 A N 2.409 125.276 122.820 0.079 0.000 1.930 336 A HA -0.113 4.207 4.320 0.000 0.000 0.217 336 A C 1.470 179.122 177.584 0.114 0.000 1.175 336 A CA 1.336 53.444 52.037 0.117 0.000 0.627 336 A CB -0.303 18.825 19.000 0.212 0.000 0.815 336 A HN 0.803 nan 8.150 nan 0.000 0.443 337 N N -0.498 118.270 118.700 0.114 0.000 2.322 337 N HA 0.146 4.886 4.740 0.000 0.000 0.194 337 N C -0.435 175.116 175.510 0.069 0.000 1.126 337 N CA 0.063 53.161 53.050 0.080 0.000 0.845 337 N CB 0.375 38.898 38.487 0.060 0.000 0.976 337 N HN 0.156 nan 8.380 nan 0.000 0.475 338 V N 1.270 121.235 119.914 0.085 0.000 2.405 338 V HA 0.008 4.128 4.120 0.000 0.000 0.264 338 V C 1.074 177.238 176.094 0.117 0.000 1.048 338 V CA 0.008 62.368 62.300 0.101 0.000 0.966 338 V CB 1.225 33.128 31.823 0.133 0.000 1.015 338 V HN 0.105 nan 8.190 nan 0.000 0.477 339 D N 3.122 123.601 120.400 0.132 0.000 2.197 339 D HA 0.052 4.692 4.640 0.000 0.000 0.212 339 D C 0.594 177.015 176.300 0.201 0.000 0.963 339 D CA 1.282 55.376 54.000 0.156 0.000 0.864 339 D CB 0.531 41.441 40.800 0.184 0.000 1.009 339 D HN 0.766 nan 8.370 nan 0.000 0.479 340 C N -2.707 116.751 119.300 0.264 0.000 3.253 340 C HA 0.637 5.097 4.460 0.000 0.000 0.362 340 C C -1.098 174.146 174.990 0.424 0.000 1.487 340 C CA -1.075 58.154 59.018 0.352 0.000 1.179 340 C CB 1.262 29.256 27.740 0.425 0.000 1.660 340 C HN 0.307 nan 8.230 nan 0.000 0.438 341 H N 0.567 119.873 119.070 0.392 0.000 2.771 341 H HA 0.508 5.064 4.556 0.000 0.000 0.361 341 H C -0.766 174.691 175.328 0.214 0.000 1.108 341 H CA 0.239 56.471 56.048 0.307 0.000 1.201 341 H CB 2.043 31.902 29.762 0.162 0.000 1.681 341 H HN 0.988 nan 8.280 nan 0.000 0.534 342 E N 3.259 123.544 120.200 0.142 0.000 2.442 342 E HA 0.118 4.468 4.350 0.000 0.000 0.262 342 E C -1.286 175.382 176.600 0.115 0.000 1.004 342 E CA 0.127 56.287 56.400 -0.401 0.000 0.928 342 E CB 0.460 30.013 29.700 -0.245 0.000 0.937 342 E HN 0.318 nan 8.360 nan 0.000 0.446 343 F N 2.733 122.502 119.950 -0.302 0.000 2.574 343 F HA 0.334 4.861 4.527 0.000 0.000 0.313 343 F C -1.403 174.225 175.800 -0.287 0.000 1.130 343 F CA -0.474 57.426 58.000 -0.166 0.000 0.936 343 F CB 1.702 40.549 39.000 -0.255 0.000 1.219 343 F HN 0.435 nan 8.300 nan 0.000 0.445 344 Q N 3.994 123.189 119.800 -1.009 0.000 2.375 344 Q HA 0.193 4.533 4.340 0.000 0.000 0.271 344 Q C 0.118 175.403 176.000 -1.191 0.000 1.074 344 Q CA -0.822 54.444 55.803 -0.895 0.000 0.808 344 Q CB 2.266 30.773 28.738 -0.384 0.000 1.327 344 Q HN 0.925 nan 8.270 nan 0.000 0.441 345 H N 1.481 120.014 119.070 -0.896 0.000 2.352 345 H HA -0.172 4.384 4.556 0.000 0.000 0.299 345 H C 1.572 176.800 175.328 -0.168 0.000 1.097 345 H CA 2.745 58.551 56.048 -0.404 0.000 1.311 345 H CB 0.426 30.239 29.762 0.084 0.000 1.377 345 H HN 0.612 nan 8.280 nan 0.000 0.504 346 S N 0.397 116.006 115.700 -0.151 0.000 2.436 346 S HA -0.092 4.378 4.470 0.000 0.000 0.228 346 S C 2.052 176.573 174.600 -0.131 0.000 1.014 346 S CA 0.698 58.837 58.200 -0.101 0.000 0.950 346 S CB -0.552 62.672 63.200 0.040 0.000 0.784 346 S HN 0.673 nan 8.310 nan 0.000 0.504 347 I N -2.970 117.506 120.570 -0.156 0.000 3.564 347 I HA 0.388 4.558 4.170 0.000 0.000 0.294 347 I C 1.400 177.483 176.117 -0.057 0.000 1.289 347 I CA 0.460 61.698 61.300 -0.105 0.000 1.325 347 I CB -0.166 37.783 38.000 -0.085 0.000 1.039 347 I HN 0.189 nan 8.210 nan 0.000 0.474 348 F N 1.099 120.905 119.950 -0.240 0.000 2.282 348 F HA 0.193 4.720 4.527 0.000 0.000 0.255 348 F C 2.330 178.047 175.800 -0.138 0.000 0.959 348 F CA 0.688 58.611 58.000 -0.129 0.000 1.170 348 F CB -0.107 38.899 39.000 0.009 0.000 1.376 348 F HN 0.024 nan 8.300 nan 0.000 0.709 349 E N 1.502 121.754 120.200 0.085 0.000 2.049 349 E HA -0.177 4.173 4.350 0.000 0.000 0.198 349 E C -0.962 175.589 176.600 -0.082 0.000 1.007 349 E CA 2.378 58.784 56.400 0.010 0.000 0.809 349 E CB -1.742 27.890 29.700 -0.113 0.000 0.749 349 E HN 0.210 nan 8.360 nan 0.000 0.450 350 P HA -0.074 nan 4.420 nan 0.000 0.223 350 P C -0.217 177.019 177.300 -0.106 0.000 1.144 350 P CA 1.257 64.309 63.100 -0.080 0.000 0.783 350 P CB -0.065 31.599 31.700 -0.060 0.000 0.771 351 N N -0.811 117.791 118.700 -0.163 0.000 2.380 351 N HA 0.159 4.899 4.740 0.000 0.000 0.255 351 N C 1.051 176.393 175.510 -0.281 0.000 1.158 351 N CA -0.151 52.770 53.050 -0.215 0.000 0.878 351 N CB 0.418 38.756 38.487 -0.249 0.000 1.138 351 N HN 0.205 nan 8.380 nan 0.000 0.509 352 R N 0.540 120.912 120.500 -0.214 0.000 2.140 352 R HA 0.171 4.511 4.340 0.000 0.000 0.213 352 R C 1.353 177.565 176.300 -0.147 0.000 1.059 352 R CA 0.299 56.280 56.100 -0.199 0.000 1.000 352 R CB 0.284 30.530 30.300 -0.090 0.000 0.910 352 R HN 0.069 nan 8.270 nan 0.000 0.455 353 R N 0.817 121.246 120.500 -0.118 0.000 2.323 353 R HA 0.042 4.382 4.340 0.000 0.000 0.198 353 R C 1.521 177.745 176.300 -0.128 0.000 0.988 353 R CA 0.560 56.600 56.100 -0.100 0.000 1.041 353 R CB -0.118 30.139 30.300 -0.073 0.000 0.926 353 R HN 0.283 nan 8.270 nan 0.000 0.476 354 L N -0.008 121.115 121.223 -0.167 0.000 2.585 354 L HA 0.264 4.605 4.340 0.000 0.000 0.226 354 L C 0.454 177.185 176.870 -0.231 0.000 1.113 354 L CA 0.243 54.964 54.840 -0.197 0.000 0.876 354 L CB 0.167 42.097 42.059 -0.214 0.000 1.072 354 L HN -0.030 nan 8.230 nan 0.000 0.468 355 L N 0.445 121.540 121.223 -0.213 0.000 2.401 355 L HA 0.480 4.820 4.340 0.000 0.000 0.266 355 L C -0.443 176.333 176.870 -0.157 0.000 0.991 355 L CA -0.911 53.801 54.840 -0.213 0.000 0.818 355 L CB 2.570 44.493 42.059 -0.226 0.000 1.321 355 L HN -0.245 nan 8.230 nan 0.000 0.413 356 V N -0.531 119.297 119.914 -0.143 0.000 2.716 356 V HA 1.059 5.179 4.120 0.000 0.000 0.304 356 V C 0.284 176.330 176.094 -0.079 0.000 1.053 356 V CA 0.030 62.273 62.300 -0.095 0.000 0.984 356 V CB 1.023 32.798 31.823 -0.080 0.000 1.021 356 V HN 1.023 nan 8.190 nan 0.000 0.467 357 G N 2.647 111.417 108.800 -0.050 0.000 2.392 357 G HA2 0.234 4.194 3.960 0.000 0.000 0.677 357 G HA3 0.234 4.194 3.960 0.000 0.000 0.677 357 G C -1.218 173.672 174.900 -0.016 0.000 1.334 357 G CA -0.184 44.897 45.100 -0.031 0.000 0.961 357 G HN 1.395 nan 8.290 nan 0.000 0.616 361 C N 3.474 122.610 119.300 -0.274 0.000 2.887 361 C HA 0.723 5.183 4.460 0.000 0.000 0.379 361 C C -1.714 172.949 174.990 -0.545 0.000 1.064 361 C CA -0.434 58.181 59.018 -0.673 0.000 1.282 361 C CB -0.698 26.189 27.740 -1.423 0.000 1.749 361 C HN 0.486 nan 8.230 nan 0.000 0.489 362 L N 3.495 124.484 121.223 -0.390 0.000 2.540 362 L HA 0.685 5.025 4.340 0.000 0.000 0.256 362 L C -0.060 176.622 176.870 -0.314 0.000 1.001 362 L CA -0.468 54.216 54.840 -0.260 0.000 0.843 362 L CB 1.365 43.365 42.059 -0.098 0.000 1.436 362 L HN 0.815 nan 8.230 nan 0.000 0.410 363 N N 0.783 119.328 118.700 -0.258 0.000 2.758 363 N HA -0.188 4.552 4.740 0.000 0.000 0.248 363 N C 0.950 176.105 175.510 -0.591 0.000 1.076 363 N CA 1.030 53.898 53.050 -0.303 0.000 0.696 363 N CB -0.838 37.539 38.487 -0.184 0.000 0.979 363 N HN 1.368 nan 8.380 nan 0.000 0.550 364 G N -0.230 107.806 108.800 -1.273 0.000 2.179 364 G HA2 -0.307 3.653 3.960 0.000 0.000 0.257 364 G HA3 -0.307 3.653 3.960 0.000 0.000 0.257 364 G C -0.228 174.114 174.900 -0.929 0.000 1.010 364 G CA 1.047 45.106 45.100 -1.735 0.000 0.736 364 G HN 0.638 nan 8.290 nan 0.000 0.513 365 E N -1.375 118.379 120.200 -0.743 0.000 2.321 365 E HA 0.476 4.826 4.350 0.000 0.000 0.278 365 E C -0.982 175.355 176.600 -0.439 0.000 0.902 365 E CA -0.939 55.203 56.400 -0.429 0.000 0.758 365 E CB 1.421 30.968 29.700 -0.256 0.000 1.213 365 E HN 0.181 nan 8.360 nan 0.000 0.426 366 Y N 0.598 120.754 120.300 -0.239 0.000 2.309 366 Y HA 0.220 4.770 4.550 0.000 0.000 0.327 366 Y C 0.250 176.080 175.900 -0.117 0.000 1.172 366 Y CA -0.344 57.642 58.100 -0.190 0.000 1.280 366 Y CB 0.928 39.298 38.460 -0.150 0.000 1.234 366 Y HN 0.190 nan 8.280 nan 0.000 0.512 367 V N 4.623 124.594 119.914 0.095 0.000 2.350 367 V HA 0.170 4.290 4.120 0.000 0.000 0.276 367 V C -0.413 175.728 176.094 0.079 0.000 1.028 367 V CA -1.063 61.272 62.300 0.060 0.000 0.860 367 V CB 0.910 32.754 31.823 0.035 0.000 0.990 367 V HN 0.501 nan 8.190 nan 0.000 0.453 368 V N 8.746 128.689 119.914 0.048 0.000 2.485 368 V HA 0.112 4.232 4.120 0.000 0.000 0.287 368 V C -1.608 174.500 176.094 0.024 0.000 1.022 368 V CA -1.153 61.161 62.300 0.023 0.000 1.067 368 V CB 0.283 32.112 31.823 0.010 0.000 0.967 368 V HN 0.744 nan 8.190 nan 0.000 0.479 369 P HA 0.052 nan 4.420 nan 0.000 0.266 369 P C 0.874 178.184 177.300 0.015 0.000 1.195 369 P CA 0.182 63.293 63.100 0.018 0.000 0.768 369 P CB 0.611 32.315 31.700 0.006 0.000 0.838 370 T N -0.653 113.912 114.554 0.017 0.000 3.044 370 T HA 0.142 4.492 4.350 0.000 0.000 0.255 370 T C 1.205 175.918 174.700 0.022 0.000 1.073 370 T CA 0.378 62.489 62.100 0.019 0.000 1.125 370 T CB -0.618 68.260 68.868 0.018 0.000 0.908 370 T HN 0.461 nan 8.240 nan 0.000 0.480 371 G N 2.871 111.683 108.800 0.021 0.000 2.684 371 G HA2 0.472 4.432 3.960 0.000 0.000 0.255 371 G HA3 0.472 4.432 3.960 0.000 0.000 0.255 371 G C -2.568 172.352 174.900 0.034 0.000 1.219 371 G CA -1.162 43.953 45.100 0.025 0.000 0.901 371 G HN 0.222 nan 8.290 nan 0.000 0.548 372 P HA 0.291 nan 4.420 nan 0.000 0.271 372 P C 1.093 178.426 177.300 0.055 0.000 1.244 372 P CA 0.937 64.068 63.100 0.051 0.000 0.793 372 P CB 0.331 32.062 31.700 0.051 0.000 0.984 373 G N -0.033 108.807 108.800 0.068 0.000 2.596 373 G HA2 -0.311 3.649 3.960 0.000 0.000 0.295 373 G HA3 -0.311 3.649 3.960 0.000 0.000 0.295 373 G C 0.532 175.474 174.900 0.071 0.000 1.240 373 G CA 0.170 45.316 45.100 0.076 0.000 0.985 373 G HN 0.481 nan 8.290 nan 0.000 0.555 374 L N 2.556 123.821 121.223 0.069 0.000 2.376 374 L HA 0.292 4.632 4.340 0.000 0.000 0.219 374 L C 2.833 179.715 176.870 0.020 0.000 1.133 374 L CA 2.427 57.292 54.840 0.042 0.000 0.816 374 L CB -1.083 41.004 42.059 0.047 0.000 0.933 374 L HN 2.281 nan 8.230 nan 0.000 0.449 375 G N -0.639 108.177 108.800 0.028 0.000 2.162 375 G HA2 -0.210 3.750 3.960 0.000 0.000 0.260 375 G HA3 -0.210 3.750 3.960 0.000 0.000 0.260 375 G C 0.351 175.250 174.900 -0.003 0.000 0.976 375 G CA 0.604 45.713 45.100 0.015 0.000 0.655 375 G HN 0.632 nan 8.290 nan 0.000 0.533 376 V N -3.164 116.743 119.914 -0.011 0.000 3.147 376 V HA 1.003 5.123 4.120 0.000 0.000 0.306 376 V C -0.751 175.308 176.094 -0.059 0.000 1.209 376 V CA -0.251 62.019 62.300 -0.050 0.000 1.023 376 V CB 2.112 33.882 31.823 -0.089 0.000 1.059 376 V HN 1.074 nan 8.190 nan 0.000 0.435 377 E N 1.696 121.819 120.200 -0.130 0.000 2.430 377 E HA 0.656 5.006 4.350 0.000 0.000 0.279 377 E C -3.295 173.064 176.600 -0.402 0.000 1.003 377 E CA -2.401 53.845 56.400 -0.256 0.000 0.801 377 E CB 2.025 31.651 29.700 -0.124 0.000 1.313 377 E HN 0.462 nan 8.360 nan 0.000 0.459 378 P HA -0.032 nan 4.420 nan 0.000 0.265 378 P C -0.296 176.759 177.300 -0.407 0.000 1.193 378 P CA 0.075 62.798 63.100 -0.628 0.000 0.765 378 P CB 0.585 31.683 31.700 -1.004 0.000 0.823 379 S N 2.328 117.855 115.700 -0.289 0.000 2.585 379 S HA 0.114 4.584 4.470 0.000 0.000 0.273 379 S C 1.401 175.898 174.600 -0.171 0.000 1.339 379 S CA -0.374 57.711 58.200 -0.191 0.000 1.028 379 S CB 0.779 63.887 63.200 -0.153 0.000 0.906 379 S HN 0.330 nan 8.310 nan 0.000 0.528 380 K N 1.863 122.194 120.400 -0.115 0.000 2.144 380 K HA -0.261 4.059 4.320 0.000 0.000 0.209 380 K C 1.655 178.203 176.600 -0.086 0.000 1.047 380 K CA 2.479 58.715 56.287 -0.084 0.000 0.927 380 K CB -0.527 31.942 32.500 -0.052 0.000 0.716 380 K HN 0.858 nan 8.250 nan 0.000 0.454 381 E N -0.260 119.886 120.200 -0.089 0.000 2.028 381 E HA -0.135 4.215 4.350 0.000 0.000 0.191 381 E C 2.149 178.688 176.600 -0.102 0.000 0.988 381 E CA 1.131 57.483 56.400 -0.080 0.000 0.799 381 E CB -0.385 29.271 29.700 -0.073 0.000 0.755 381 E HN 0.422 nan 8.360 nan 0.000 0.447 382 A N 1.844 124.578 122.820 -0.144 0.000 1.978 382 A HA -0.261 4.059 4.320 0.000 0.000 0.220 382 A C 2.171 179.632 177.584 -0.203 0.000 1.170 382 A CA 1.430 53.359 52.037 -0.181 0.000 0.636 382 A CB -0.465 18.389 19.000 -0.243 0.000 0.810 382 A HN 0.147 nan 8.150 nan 0.000 0.448 383 Q N -0.499 119.175 119.800 -0.210 0.000 2.133 383 Q HA -0.215 4.125 4.340 0.000 0.000 0.208 383 Q C 2.151 178.084 176.000 -0.112 0.000 0.991 383 Q CA 1.834 57.530 55.803 -0.179 0.000 0.867 383 Q CB -1.191 27.483 28.738 -0.108 0.000 0.911 383 Q HN 0.670 nan 8.270 nan 0.000 0.417 384 G N 1.625 110.378 108.800 -0.078 0.000 2.422 384 G HA2 -0.143 3.817 3.960 0.000 0.000 0.218 384 G HA3 -0.143 3.817 3.960 0.000 0.000 0.218 384 G C 1.466 176.351 174.900 -0.025 0.000 1.146 384 G CA 0.887 45.964 45.100 -0.038 0.000 0.769 384 G HN 0.424 nan 8.290 nan 0.000 0.547 385 L N -0.924 120.272 121.223 -0.044 0.000 2.611 385 L HA 0.485 4.825 4.340 0.000 0.000 0.229 385 L C 0.273 177.143 176.870 0.000 0.000 1.137 385 L CA -0.689 54.140 54.840 -0.018 0.000 0.901 385 L CB -0.255 41.788 42.059 -0.026 0.000 1.098 385 L HN -0.107 nan 8.230 nan 0.000 0.456 386 L N 1.979 123.189 121.223 -0.021 0.000 2.360 386 L HA 0.286 4.627 4.340 0.000 0.000 0.276 386 L C 0.180 177.168 176.870 0.196 0.000 1.121 386 L CA 0.474 55.326 54.840 0.020 0.000 0.845 386 L CB 0.550 42.465 42.059 -0.239 0.000 1.143 386 L HN 0.082 nan 8.230 nan 0.000 0.452 387 K N 4.709 125.271 120.400 0.270 0.000 2.281 387 K HA 0.213 4.533 4.320 0.000 0.000 0.272 387 K C -0.264 176.535 176.600 0.332 0.000 1.048 387 K CA -0.695 55.748 56.287 0.260 0.000 0.898 387 K CB 1.179 33.778 32.500 0.165 0.000 1.128 387 K HN 0.350 nan 8.250 nan 0.000 0.460 388 K N 3.556 124.129 120.400 0.289 0.000 2.379 388 K HA -0.001 4.319 4.320 0.000 0.000 0.284 388 K C 0.456 177.045 176.600 -0.019 0.000 1.044 388 K CA 0.037 56.323 56.287 -0.002 0.000 0.974 388 K CB 0.227 32.709 32.500 -0.031 0.000 0.962 388 K HN 0.626 nan 8.250 nan 0.000 0.474 389 H N 0.000 118.968 119.070 -0.170 0.000 2.539 389 H HA 0.000 4.556 4.556 0.000 0.000 0.296 389 H CA 0.000 55.994 56.048 -0.091 0.000 1.023 389 H CB 0.000 29.702 29.762 -0.099 0.000 1.292 389 H HN 0.000 nan 8.280 nan 0.000 0.496