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 3he7_1_D DATA FIRST_RESID 2 DATA SEQUENCE MKVTQMPRYL IKRMGENVLL EcGQDMSHET MYWYRQDPGL GLQLIYISYD DATA SEQUENCE VDSNSEGDIP KGXYRVSRKK REHFSLILDS AKTNQTSVYF cASSSTGLDX DATA SEQUENCE XXXTQYFGPG TRLLVLEDLK XVFPPEVAVF EPSEAEISHT QKATLVcLAT DATA SEQUENCE GFYPDHVELS WWVNGKEVHS GVCTDPQPLK EQPALNDSRY ALSSRLRVSA DATA SEQUENCE TFWQNPRNHF RcQVQFYGLS ENDEWTQDRA KPVTQIVSAE AWGRAD 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 M HA 0.000 nan 4.480 nan 0.000 0.227 2 M C 0.000 176.190 176.300 -0.183 0.000 1.140 2 M CA 0.000 55.210 55.300 -0.151 0.000 0.988 2 M CB 0.000 32.512 32.600 -0.147 0.000 1.302 3 K N 0.403 120.749 120.400 -0.089 0.000 2.440 3 K HA 0.707 5.041 4.320 0.024 0.000 0.252 3 K C -0.939 175.628 176.600 -0.056 0.000 1.044 3 K CA -0.446 55.825 56.287 -0.027 0.000 0.962 3 K CB 0.789 33.296 32.500 0.012 0.000 1.269 3 K HN 0.419 nan 8.250 nan 0.000 0.505 4 V N 1.181 121.102 119.914 0.012 0.000 2.444 4 V HA 0.146 4.280 4.120 0.024 0.000 0.294 4 V C -0.171 175.927 176.094 0.007 0.000 1.022 4 V CA -0.687 61.612 62.300 -0.001 0.000 0.850 4 V CB 1.723 33.569 31.823 0.038 0.000 0.992 4 V HN 0.732 nan 8.190 nan 0.000 0.426 5 T N 4.734 119.276 114.554 -0.020 0.000 2.910 5 T HA 0.439 4.803 4.350 0.024 0.000 0.293 5 T C -0.384 174.326 174.700 0.016 0.000 1.015 5 T CA -0.042 62.057 62.100 -0.001 0.000 1.094 5 T CB 0.703 69.566 68.868 -0.009 0.000 0.968 5 T HN 0.716 nan 8.240 nan 0.000 0.521 6 Q N 2.550 122.369 119.800 0.032 0.000 2.371 6 Q HA 0.447 4.801 4.340 0.024 0.000 0.244 6 Q C -1.421 174.598 176.000 0.032 0.000 0.882 6 Q CA -0.463 55.373 55.803 0.056 0.000 0.866 6 Q CB 1.253 30.024 28.738 0.055 0.000 1.399 6 Q HN 0.773 nan 8.270 nan 0.000 0.432 7 M N 1.893 121.524 119.600 0.051 0.000 2.446 7 M HA 0.782 5.276 4.480 0.024 0.000 0.294 7 M C -2.875 173.430 176.300 0.008 0.000 1.158 7 M CA -1.914 53.392 55.300 0.010 0.000 0.899 7 M CB 2.643 35.254 32.600 0.018 0.000 1.687 7 M HN 0.165 nan 8.290 nan 0.000 0.455 8 P HA 0.419 nan 4.420 nan 0.000 0.279 8 P C -0.454 176.754 177.300 -0.153 0.000 1.276 8 P CA -0.427 62.633 63.100 -0.066 0.000 0.801 8 P CB 1.037 32.709 31.700 -0.046 0.000 1.127 9 R N -0.190 120.160 120.500 -0.250 0.000 2.080 9 R HA 0.099 4.453 4.340 0.024 0.000 0.222 9 R C 0.407 176.221 176.300 -0.810 0.000 1.107 9 R CA 1.365 57.143 56.100 -0.536 0.000 0.980 9 R CB -0.954 28.971 30.300 -0.626 0.000 0.879 9 R HN 0.533 nan 8.270 nan 0.000 0.439 10 Y N -0.334 119.756 120.300 -0.351 0.000 2.462 10 Y HA 0.597 5.161 4.550 0.023 0.000 0.346 10 Y C -0.602 175.221 175.900 -0.128 0.000 0.976 10 Y CA -1.262 56.635 58.100 -0.338 0.000 1.044 10 Y CB 2.075 40.264 38.460 -0.452 0.000 1.230 10 Y HN -0.187 nan 8.280 nan 0.000 0.455 11 L N 3.881 125.180 121.223 0.126 0.000 2.493 11 L HA 0.649 5.003 4.340 0.024 0.000 0.265 11 L C -1.750 175.214 176.870 0.158 0.000 0.954 11 L CA -0.499 54.404 54.840 0.105 0.000 0.844 11 L CB 1.715 43.788 42.059 0.023 0.000 1.302 11 L HN 0.577 nan 8.230 nan 0.000 0.405 12 I N 5.096 125.729 120.570 0.105 0.000 2.389 12 I HA 0.513 4.697 4.170 0.024 0.000 0.288 12 I C -0.427 175.724 176.117 0.056 0.000 0.999 12 I CA -0.661 60.685 61.300 0.077 0.000 1.129 12 I CB 1.389 39.412 38.000 0.038 0.000 1.288 12 I HN 0.389 nan 8.210 nan 0.000 0.444 13 K N 5.408 125.842 120.400 0.056 0.000 2.340 13 K HA 0.569 4.903 4.320 0.024 0.000 0.244 13 K C -0.733 175.898 176.600 0.051 0.000 0.973 13 K CA -0.992 55.319 56.287 0.041 0.000 0.828 13 K CB 2.755 35.265 32.500 0.017 0.000 1.226 13 K HN 0.510 nan 8.250 nan 0.000 0.437 14 R N 1.018 121.544 120.500 0.044 0.000 2.500 14 R HA 0.319 4.674 4.340 0.024 0.000 0.275 14 R C 0.339 176.656 176.300 0.028 0.000 1.051 14 R CA -0.482 55.645 56.100 0.045 0.000 1.088 14 R CB 0.764 31.090 30.300 0.044 0.000 1.063 14 R HN 0.541 nan 8.270 nan 0.000 0.511 15 M N 1.995 121.612 119.600 0.028 0.000 2.261 15 M HA -0.061 4.434 4.480 0.024 0.000 0.350 15 M C 0.695 176.996 176.300 0.002 0.000 1.343 15 M CA 1.841 57.150 55.300 0.015 0.000 1.003 15 M CB 0.395 33.005 32.600 0.017 0.000 1.848 15 M HN 1.027 nan 8.290 nan 0.000 0.456 16 G N 3.601 112.394 108.800 -0.010 0.000 2.256 16 G HA2 -0.209 3.765 3.960 0.024 0.000 0.272 16 G HA3 -0.209 3.765 3.960 0.024 0.000 0.272 16 G C -0.445 174.443 174.900 -0.020 0.000 1.076 16 G CA -0.071 45.017 45.100 -0.019 0.000 0.882 16 G HN 0.757 nan 8.290 nan 0.000 0.497 17 E N 0.029 120.214 120.200 -0.024 0.000 2.256 17 E HA 0.355 4.719 4.350 0.024 0.000 0.267 17 E C -0.099 176.474 176.600 -0.045 0.000 0.892 17 E CA -1.142 55.242 56.400 -0.026 0.000 0.775 17 E CB 1.030 30.722 29.700 -0.014 0.000 1.207 17 E HN 0.397 nan 8.360 nan 0.000 0.420 18 N N 0.920 119.592 118.700 -0.047 0.000 2.452 18 N HA 0.053 4.807 4.740 0.024 0.000 0.266 18 N C -0.808 174.657 175.510 -0.075 0.000 1.209 18 N CA -0.058 52.953 53.050 -0.064 0.000 0.929 18 N CB 0.581 39.034 38.487 -0.057 0.000 1.063 18 N HN 0.044 nan 8.380 nan 0.000 0.472 19 V N 2.460 122.312 119.914 -0.105 0.000 2.378 19 V HA 0.300 4.435 4.120 0.024 0.000 0.288 19 V C -0.278 175.716 176.094 -0.166 0.000 1.016 19 V CA -0.960 61.262 62.300 -0.130 0.000 0.840 19 V CB 1.049 32.779 31.823 -0.155 0.000 0.994 19 V HN 0.638 nan 8.190 nan 0.000 0.431 20 L N 7.214 128.349 121.223 -0.146 0.000 2.276 20 L HA 0.598 4.952 4.340 0.024 0.000 0.286 20 L C -0.746 176.021 176.870 -0.171 0.000 1.024 20 L CA 0.132 54.877 54.840 -0.158 0.000 0.826 20 L CB 0.985 42.981 42.059 -0.105 0.000 1.211 20 L HN 0.534 nan 8.230 nan 0.000 0.422 21 L N 5.242 126.310 121.223 -0.259 0.000 2.265 21 L HA 0.506 4.860 4.340 0.024 0.000 0.289 21 L C 0.118 176.971 176.870 -0.028 0.000 1.033 21 L CA -0.443 54.263 54.840 -0.223 0.000 0.814 21 L CB 1.240 43.002 42.059 -0.496 0.000 1.203 21 L HN 0.626 nan 8.230 nan 0.000 0.423 22 E N 1.795 122.049 120.200 0.090 0.000 2.280 22 E HA 0.541 4.905 4.350 0.024 0.000 0.264 22 E C -1.015 175.767 176.600 0.303 0.000 1.064 22 E CA -0.490 56.023 56.400 0.190 0.000 0.900 22 E CB 2.418 32.186 29.700 0.114 0.000 1.123 22 E HN 0.553 nan 8.360 nan 0.000 0.418 23 c N 0.747 119.525 118.600 0.296 0.000 3.171 23 c HA 0.820 5.405 4.570 0.024 0.000 0.336 23 c C -0.784 173.379 174.090 0.122 0.000 1.198 23 c CA -0.114 56.315 56.329 0.166 0.000 1.319 23 c CB 0.738 43.249 42.510 0.002 0.000 1.682 23 c HN 0.817 nan 8.230 nan 0.000 0.497 24 G N 3.350 112.138 108.800 -0.020 0.000 2.696 24 G HA2 0.731 4.705 3.960 0.024 0.000 0.295 24 G HA3 0.731 4.705 3.960 0.024 0.000 0.295 24 G C -1.786 173.016 174.900 -0.164 0.000 1.398 24 G CA -0.373 44.607 45.100 -0.200 0.000 0.920 24 G HN 1.198 nan 8.290 nan 0.000 0.492 25 Q N -0.406 119.266 119.800 -0.213 0.000 2.353 25 Q HA 0.590 4.944 4.340 0.024 0.000 0.275 25 Q C -1.388 174.483 176.000 -0.214 0.000 1.029 25 Q CA -0.758 54.935 55.803 -0.183 0.000 0.848 25 Q CB 2.408 31.060 28.738 -0.144 0.000 1.390 25 Q HN 0.248 nan 8.270 nan 0.000 0.401 26 D N 1.086 121.355 120.400 -0.218 0.000 2.431 26 D HA 0.264 4.918 4.640 0.024 0.000 0.213 26 D C 0.351 176.503 176.300 -0.247 0.000 1.130 26 D CA 0.279 54.160 54.000 -0.199 0.000 0.834 26 D CB 0.359 41.069 40.800 -0.149 0.000 0.985 26 D HN 0.645 nan 8.370 nan 0.000 0.504 27 M N -0.540 118.830 119.600 -0.383 0.000 2.618 27 M HA 0.045 4.539 4.480 0.024 0.000 0.240 27 M C 0.793 176.816 176.300 -0.462 0.000 1.123 27 M CA 0.218 55.201 55.300 -0.529 0.000 1.060 27 M CB 0.278 32.294 32.600 -0.973 0.000 1.535 27 M HN -0.120 nan 8.290 nan 0.000 0.507 28 S N 0.512 116.026 115.700 -0.311 0.000 3.698 28 S HA -0.178 4.306 4.470 0.024 0.000 0.338 28 S C -0.152 174.395 174.600 -0.087 0.000 1.089 28 S CA 0.169 58.271 58.200 -0.163 0.000 0.991 28 S CB -1.777 61.358 63.200 -0.108 0.000 0.909 28 S HN 0.682 nan 8.310 nan 0.000 0.485 29 H N 0.256 119.282 119.070 -0.073 0.000 2.707 29 H HA 0.200 4.770 4.556 0.023 0.000 0.359 29 H C 1.332 176.618 175.328 -0.070 0.000 1.113 29 H CA 0.074 56.089 56.048 -0.055 0.000 1.422 29 H CB 0.608 30.345 29.762 -0.042 0.000 1.443 29 H HN 0.405 nan 8.280 nan 0.000 0.591 30 E N 0.776 121.023 120.200 0.079 0.000 2.060 30 E HA -0.015 4.349 4.350 0.024 0.000 0.189 30 E C 0.124 176.665 176.600 -0.097 0.000 0.974 30 E CA 0.751 57.144 56.400 -0.011 0.000 0.808 30 E CB 0.346 30.049 29.700 0.006 0.000 0.768 30 E HN 0.489 nan 8.360 nan 0.000 0.453 31 T N 1.729 116.220 114.554 -0.105 0.000 2.794 31 T HA 0.446 4.810 4.350 0.024 0.000 0.296 31 T C 0.016 174.524 174.700 -0.321 0.000 0.949 31 T CA 0.078 62.015 62.100 -0.271 0.000 1.101 31 T CB 0.534 69.285 68.868 -0.196 0.000 0.905 31 T HN -0.032 nan 8.240 nan 0.000 0.516 32 M N 2.737 121.972 119.600 -0.608 0.000 2.518 32 M HA 0.527 5.021 4.480 0.024 0.000 0.300 32 M C -1.585 174.363 176.300 -0.587 0.000 1.175 32 M CA -0.932 54.083 55.300 -0.475 0.000 0.890 32 M CB 2.371 34.674 32.600 -0.496 0.000 1.710 32 M HN 0.555 nan 8.290 nan 0.000 0.453 33 Y N -0.681 119.536 120.300 -0.138 0.000 2.570 33 Y HA 0.567 5.132 4.550 0.024 0.000 0.345 33 Y C -1.361 174.482 175.900 -0.096 0.000 1.014 33 Y CA -0.989 57.064 58.100 -0.078 0.000 1.063 33 Y CB 1.521 39.869 38.460 -0.187 0.000 1.272 33 Y HN 0.643 nan 8.280 nan 0.000 0.477 34 W N 1.757 123.120 121.300 0.105 0.000 2.619 34 W HA 0.613 5.287 4.660 0.023 0.000 0.327 34 W C -1.539 174.908 176.519 -0.119 0.000 1.027 34 W CA -0.506 56.858 57.345 0.030 0.000 1.233 34 W CB 1.328 30.735 29.460 -0.087 0.000 1.370 34 W HN 0.407 nan 8.180 nan 0.000 0.453 35 Y N 1.799 122.424 120.300 0.542 0.000 2.630 35 Y HA 0.669 5.234 4.550 0.024 0.000 0.337 35 Y C 0.084 176.166 175.900 0.303 0.000 1.051 35 Y CA -1.507 56.813 58.100 0.367 0.000 1.121 35 Y CB 2.014 40.694 38.460 0.366 0.000 1.299 35 Y HN 0.311 nan 8.280 nan 0.000 0.498 36 R N 0.810 121.487 120.500 0.296 0.000 2.621 36 R HA 0.551 4.905 4.340 0.024 0.000 0.284 36 R C -1.727 174.634 176.300 0.102 0.000 0.998 36 R CA -1.065 55.037 56.100 0.004 0.000 0.895 36 R CB 2.096 32.170 30.300 -0.375 0.000 1.195 36 R HN 0.692 nan 8.270 nan 0.000 0.450 37 Q N 2.165 122.032 119.800 0.112 0.000 2.322 37 Q HA 0.279 4.633 4.340 0.024 0.000 0.265 37 Q C -1.351 174.680 176.000 0.051 0.000 0.985 37 Q CA -0.651 55.220 55.803 0.115 0.000 0.849 37 Q CB 1.780 30.646 28.738 0.214 0.000 1.274 37 Q HN 0.635 nan 8.270 nan 0.000 0.449 38 D N 4.981 125.403 120.400 0.036 0.000 2.646 38 D HA 0.310 4.964 4.640 0.024 0.000 0.245 38 D C -2.489 173.831 176.300 0.033 0.000 1.099 38 D CA -1.448 52.571 54.000 0.032 0.000 0.849 38 D CB 2.044 42.863 40.800 0.031 0.000 1.448 38 D HN 0.395 nan 8.370 nan 0.000 0.489 39 P HA -0.099 nan 4.420 nan 0.000 0.252 39 P C 1.025 178.341 177.300 0.026 0.000 1.126 39 P CA 1.039 64.161 63.100 0.036 0.000 0.777 39 P CB -0.013 31.715 31.700 0.047 0.000 0.711 40 G N 2.606 111.415 108.800 0.015 0.000 2.353 40 G HA2 -0.391 3.584 3.960 0.024 0.000 0.258 40 G HA3 -0.391 3.584 3.960 0.024 0.000 0.258 40 G C 0.837 175.740 174.900 0.005 0.000 1.013 40 G CA 0.444 45.548 45.100 0.007 0.000 0.622 40 G HN 0.517 nan 8.290 nan 0.000 0.535 41 L N 0.931 122.163 121.223 0.013 0.000 2.072 41 L HA 0.490 4.844 4.340 0.024 0.000 0.205 41 L C 1.864 178.740 176.870 0.010 0.000 1.079 41 L CA 3.012 57.862 54.840 0.017 0.000 0.752 41 L CB -0.631 41.446 42.059 0.029 0.000 0.906 41 L HN 1.878 nan 8.230 nan 0.000 0.436 42 G N -1.773 107.028 108.800 0.001 0.000 2.498 42 G HA2 -0.126 3.848 3.960 0.024 0.000 0.651 42 G HA3 -0.126 3.848 3.960 0.024 0.000 0.651 42 G C -1.167 173.735 174.900 0.004 0.000 1.284 42 G CA -0.517 44.572 45.100 -0.018 0.000 0.950 42 G HN 0.091 nan 8.290 nan 0.000 0.511 43 L N 0.993 122.205 121.223 -0.018 0.000 2.319 43 L HA 0.492 4.846 4.340 0.024 0.000 0.280 43 L C 0.857 177.832 176.870 0.175 0.000 1.099 43 L CA 0.370 55.237 54.840 0.046 0.000 0.828 43 L CB 1.283 43.260 42.059 -0.137 0.000 1.150 43 L HN 0.564 nan 8.230 nan 0.000 0.442 44 Q N 3.116 123.069 119.800 0.254 0.000 2.331 44 Q HA 0.430 4.784 4.340 0.024 0.000 0.267 44 Q C -1.082 175.080 176.000 0.268 0.000 1.006 44 Q CA -1.116 54.821 55.803 0.224 0.000 0.818 44 Q CB 2.660 31.476 28.738 0.130 0.000 1.276 44 Q HN 0.365 nan 8.270 nan 0.000 0.450 45 L N 3.499 124.835 121.223 0.188 0.000 2.410 45 L HA 0.144 4.498 4.340 0.024 0.000 0.273 45 L C 0.121 176.975 176.870 -0.027 0.000 1.144 45 L CA 0.913 55.730 54.840 -0.039 0.000 0.863 45 L CB 0.309 42.342 42.059 -0.044 0.000 1.140 45 L HN 0.791 nan 8.230 nan 0.000 0.463 46 I N 4.311 124.855 120.570 -0.042 0.000 2.685 46 I HA 0.080 4.264 4.170 0.024 0.000 0.251 46 I C -0.422 175.722 176.117 0.045 0.000 1.102 46 I CA 0.236 61.519 61.300 -0.029 0.000 1.442 46 I CB 0.191 38.086 38.000 -0.174 0.000 1.194 46 I HN 0.472 nan 8.210 nan 0.000 0.448 47 Y N -0.413 119.901 120.300 0.022 0.000 2.552 47 Y HA 0.532 5.096 4.550 0.023 0.000 0.337 47 Y C -0.913 175.053 175.900 0.110 0.000 1.094 47 Y CA -0.823 57.334 58.100 0.095 0.000 1.028 47 Y CB 2.386 40.947 38.460 0.168 0.000 1.321 47 Y HN -0.191 nan 8.280 nan 0.000 0.456 48 I N 1.446 122.090 120.570 0.124 0.000 2.797 48 I HA 0.707 4.891 4.170 0.024 0.000 0.307 48 I C -1.011 174.906 176.117 -0.333 0.000 1.033 48 I CA -0.446 60.711 61.300 -0.239 0.000 1.071 48 I CB 1.791 39.476 38.000 -0.525 0.000 1.255 48 I HN 0.527 nan 8.210 nan 0.000 0.445 49 S N 3.393 118.644 115.700 -0.747 0.000 2.571 49 S HA 0.449 4.933 4.470 0.024 0.000 0.284 49 S C -0.404 173.767 174.600 -0.716 0.000 1.128 49 S CA -0.436 57.339 58.200 -0.709 0.000 0.970 49 S CB 0.937 63.547 63.200 -0.984 0.000 1.039 49 S HN 0.560 nan 8.310 nan 0.000 0.485 50 Y N 2.144 122.304 120.300 -0.234 0.000 2.503 50 Y HA 0.408 4.972 4.550 0.024 0.000 0.278 50 Y C 1.327 177.135 175.900 -0.153 0.000 1.111 50 Y CA 0.003 57.992 58.100 -0.184 0.000 1.270 50 Y CB 0.490 38.881 38.460 -0.115 0.000 1.063 50 Y HN 0.626 nan 8.280 nan 0.000 0.548 51 D N -2.467 117.917 120.400 -0.028 0.000 3.024 51 D HA 0.084 4.738 4.640 0.024 0.000 0.354 51 D C -1.237 175.033 176.300 -0.050 0.000 1.431 51 D CA -0.388 53.587 54.000 -0.042 0.000 0.842 51 D CB 1.115 41.918 40.800 0.005 0.000 1.437 51 D HN -0.344 nan 8.370 nan 0.000 0.507 52 V N 1.938 121.838 119.914 -0.023 0.000 2.763 52 V HA 0.087 4.221 4.120 0.024 0.000 0.306 52 V C 0.308 176.411 176.094 0.015 0.000 1.059 52 V CA 0.595 62.892 62.300 -0.004 0.000 1.138 52 V CB 0.458 32.286 31.823 0.008 0.000 0.940 52 V HN 0.680 nan 8.190 nan 0.000 0.489 53 D N 1.988 122.405 120.400 0.029 0.000 2.737 53 D HA -0.171 4.483 4.640 0.024 0.000 0.233 53 D C 0.479 176.812 176.300 0.054 0.000 1.155 53 D CA 1.615 55.641 54.000 0.043 0.000 0.667 53 D CB -0.782 40.039 40.800 0.035 0.000 1.060 53 D HN 0.710 nan 8.370 nan 0.000 0.427 54 S N -0.097 115.638 115.700 0.059 0.000 2.359 54 S HA 0.227 4.711 4.470 0.024 0.000 0.148 54 S C -0.447 174.232 174.600 0.131 0.000 1.610 54 S CA -0.785 57.474 58.200 0.099 0.000 1.274 54 S CB 0.006 63.264 63.200 0.097 0.000 1.380 54 S HN 0.132 nan 8.310 nan 0.000 0.380 55 N N 1.294 120.081 118.700 0.145 0.000 2.485 55 N HA 0.587 5.341 4.740 0.024 0.000 0.280 55 N C -0.885 174.769 175.510 0.240 0.000 1.205 55 N CA -0.571 52.588 53.050 0.181 0.000 0.959 55 N CB 1.709 40.364 38.487 0.281 0.000 1.206 55 N HN 0.376 nan 8.380 nan 0.000 0.545 56 S N -0.591 115.241 115.700 0.220 0.000 2.566 56 S HA 0.167 4.652 4.470 0.024 0.000 0.273 56 S C -1.333 173.158 174.600 -0.182 0.000 1.157 56 S CA -0.728 57.531 58.200 0.098 0.000 0.938 56 S CB 0.695 64.000 63.200 0.174 0.000 1.087 56 S HN 0.389 nan 8.310 nan 0.000 0.474 57 E N 2.265 122.235 120.200 -0.382 0.000 2.414 57 E HA 0.306 4.671 4.350 0.024 0.000 0.263 57 E C 1.018 177.390 176.600 -0.381 0.000 1.000 57 E CA 0.231 56.193 56.400 -0.730 0.000 0.914 57 E CB 0.549 30.002 29.700 -0.413 0.000 0.948 57 E HN 0.662 nan 8.360 nan 0.000 0.444 58 G N 2.263 110.840 108.800 -0.371 0.000 2.546 58 G HA2 -0.088 3.886 3.960 0.024 0.000 0.239 58 G HA3 -0.088 3.886 3.960 0.024 0.000 0.239 58 G C 0.396 175.247 174.900 -0.080 0.000 1.476 58 G CA -0.242 44.770 45.100 -0.147 0.000 1.064 58 G HN 0.537 nan 8.290 nan 0.000 0.561 59 D N -0.483 119.906 120.400 -0.018 0.000 2.234 59 D HA -0.028 4.627 4.640 0.024 0.000 0.205 59 D C 1.160 177.476 176.300 0.027 0.000 0.962 59 D CA 0.993 55.002 54.000 0.014 0.000 0.855 59 D CB 0.265 41.091 40.800 0.044 0.000 0.951 59 D HN 0.370 nan 8.370 nan 0.000 0.500 60 I N -2.503 118.089 120.570 0.037 0.000 2.926 60 I HA 0.266 4.450 4.170 0.024 0.000 0.295 60 I C -2.434 173.773 176.117 0.151 0.000 1.463 60 I CA -1.558 59.797 61.300 0.091 0.000 0.892 60 I CB 1.898 39.971 38.000 0.122 0.000 1.874 60 I HN -0.354 nan 8.210 nan 0.000 0.620 61 P HA -0.009 nan 4.420 nan 0.000 0.227 61 P C 0.145 177.638 177.300 0.323 0.000 1.161 61 P CA 0.616 63.828 63.100 0.186 0.000 0.788 61 P CB 0.144 31.824 31.700 -0.034 0.000 0.822 62 K N 1.160 121.684 120.400 0.205 0.000 2.491 62 K HA 0.325 4.659 4.320 0.024 0.000 0.279 62 K C 1.186 177.805 176.600 0.031 0.000 1.026 62 K CA 1.073 57.430 56.287 0.117 0.000 1.070 62 K CB -0.689 31.854 32.500 0.073 0.000 0.887 62 K HN 0.279 nan 8.250 nan 0.000 0.481 66 R N 1.069 121.572 120.500 0.005 0.000 2.923 66 R HA 1.018 5.372 4.340 0.024 0.000 0.252 66 R C -1.876 174.186 176.300 -0.396 0.000 1.130 66 R CA -1.084 54.906 56.100 -0.182 0.000 1.043 66 R CB 2.388 32.627 30.300 -0.102 0.000 1.205 66 R HN 0.422 nan 8.270 nan 0.000 0.495 67 V N -0.542 119.067 119.914 -0.509 0.000 3.188 67 V HA 0.598 4.732 4.120 0.024 0.000 0.305 67 V C -1.513 174.467 176.094 -0.189 0.000 1.232 67 V CA -0.425 61.593 62.300 -0.471 0.000 1.043 67 V CB 2.656 34.036 31.823 -0.738 0.000 1.068 67 V HN 0.971 nan 8.190 nan 0.000 0.439 68 S N 3.159 118.834 115.700 -0.043 0.000 2.541 68 S HA 0.836 5.320 4.470 0.024 0.000 0.271 68 S C -1.149 173.606 174.600 0.259 0.000 1.133 68 S CA -0.679 57.568 58.200 0.078 0.000 0.876 68 S CB 1.756 64.967 63.200 0.019 0.000 1.105 68 S HN 0.859 nan 8.310 nan 0.000 0.470 69 R N 2.589 123.209 120.500 0.200 0.000 3.179 69 R HA 0.350 4.704 4.340 0.024 0.000 0.231 69 R C -0.433 175.925 176.300 0.096 0.000 1.796 69 R CA -0.134 56.081 56.100 0.192 0.000 1.233 69 R CB 0.040 30.426 30.300 0.143 0.000 1.545 69 R HN 0.682 nan 8.270 nan 0.000 0.552 70 K N 0.916 121.367 120.400 0.086 0.000 2.361 70 K HA 0.216 4.550 4.320 0.024 0.000 0.194 70 K C -0.089 176.543 176.600 0.054 0.000 1.032 70 K CA 0.486 56.806 56.287 0.054 0.000 1.048 70 K CB 0.653 33.176 32.500 0.038 0.000 0.842 70 K HN 0.144 nan 8.250 nan 0.000 0.526 71 K N 0.090 120.537 120.400 0.079 0.000 2.426 71 K HA 0.269 4.603 4.320 0.024 0.000 0.251 71 K C 0.059 176.701 176.600 0.069 0.000 0.941 71 K CA -0.549 55.787 56.287 0.082 0.000 0.808 71 K CB 2.201 34.781 32.500 0.133 0.000 1.265 71 K HN -0.166 nan 8.250 nan 0.000 0.432 72 R N 1.294 121.811 120.500 0.027 0.000 2.120 72 R HA -0.149 4.205 4.340 0.024 0.000 0.234 72 R C 0.549 176.828 176.300 -0.035 0.000 1.123 72 R CA 1.923 58.015 56.100 -0.014 0.000 0.975 72 R CB 0.253 30.539 30.300 -0.023 0.000 0.866 72 R HN 0.555 nan 8.270 nan 0.000 0.446 73 E N -1.285 118.894 120.200 -0.035 0.000 2.358 73 E HA -0.005 4.359 4.350 0.024 0.000 0.195 73 E C -0.258 176.171 176.600 -0.285 0.000 1.010 73 E CA 0.758 57.061 56.400 -0.163 0.000 0.856 73 E CB 0.147 29.727 29.700 -0.200 0.000 0.795 73 E HN 0.454 nan 8.360 nan 0.000 0.504 74 H N -1.502 117.592 119.070 0.041 0.000 2.731 74 H HA 0.505 5.075 4.556 0.024 0.000 0.368 74 H C -1.438 174.014 175.328 0.207 0.000 1.168 74 H CA -0.907 55.200 56.048 0.097 0.000 1.181 74 H CB 1.448 31.260 29.762 0.084 0.000 1.743 74 H HN -0.082 nan 8.280 nan 0.000 0.547 75 F N 1.300 121.354 119.950 0.173 0.000 3.164 75 F HA 0.325 4.866 4.527 0.023 0.000 0.375 75 F C -1.178 174.850 175.800 0.379 0.000 1.257 75 F CA -0.647 57.451 58.000 0.164 0.000 1.171 75 F CB 1.107 40.107 39.000 -0.000 0.000 1.588 75 F HN 0.366 nan 8.300 nan 0.000 0.604 76 S N 5.476 121.305 115.700 0.215 0.000 2.499 76 S HA 0.591 5.075 4.470 0.024 0.000 0.279 76 S C -0.866 173.597 174.600 -0.230 0.000 1.219 76 S CA -0.443 57.795 58.200 0.063 0.000 1.062 76 S CB 1.334 64.540 63.200 0.011 0.000 0.978 76 S HN 0.551 nan 8.310 nan 0.000 0.489 77 L N 4.937 125.857 121.223 -0.505 0.000 2.272 77 L HA 0.613 4.968 4.340 0.024 0.000 0.289 77 L C -1.287 175.266 176.870 -0.529 0.000 1.032 77 L CA -0.142 54.171 54.840 -0.878 0.000 0.810 77 L CB 0.481 41.435 42.059 -1.842 0.000 1.205 77 L HN 0.523 nan 8.230 nan 0.000 0.422 78 I N 5.904 126.256 120.570 -0.362 0.000 2.406 78 I HA 0.359 4.543 4.170 0.024 0.000 0.290 78 I C -1.011 174.999 176.117 -0.178 0.000 0.999 78 I CA -0.326 60.831 61.300 -0.238 0.000 1.124 78 I CB 1.666 39.561 38.000 -0.175 0.000 1.289 78 I HN 0.347 nan 8.210 nan 0.000 0.441 79 L N 6.243 127.359 121.223 -0.178 0.000 2.276 79 L HA 0.388 4.742 4.340 0.024 0.000 0.286 79 L C 0.919 177.706 176.870 -0.138 0.000 1.024 79 L CA -0.010 54.726 54.840 -0.174 0.000 0.826 79 L CB 0.701 42.639 42.059 -0.201 0.000 1.211 79 L HN 0.471 nan 8.230 nan 0.000 0.422 80 D N 0.517 120.845 120.400 -0.119 0.000 2.117 80 D HA -0.063 4.591 4.640 0.024 0.000 0.198 80 D C 0.697 176.951 176.300 -0.076 0.000 0.982 80 D CA 1.202 55.151 54.000 -0.086 0.000 0.828 80 D CB 0.370 41.130 40.800 -0.068 0.000 0.967 80 D HN 0.494 nan 8.370 nan 0.000 0.464 81 S N -0.526 115.122 115.700 -0.086 0.000 2.736 81 S HA 0.666 5.150 4.470 0.024 0.000 0.285 81 S C -0.563 173.987 174.600 -0.083 0.000 1.163 81 S CA -0.929 57.229 58.200 -0.069 0.000 1.025 81 S CB 1.880 65.050 63.200 -0.050 0.000 1.030 81 S HN 0.138 nan 8.310 nan 0.000 0.486 82 A N 4.262 127.040 122.820 -0.070 0.000 2.440 82 A HA 0.591 4.926 4.320 0.024 0.000 0.251 82 A C 0.190 177.750 177.584 -0.039 0.000 1.089 82 A CA -0.331 51.666 52.037 -0.066 0.000 0.779 82 A CB 0.283 19.257 19.000 -0.043 0.000 1.022 82 A HN 0.860 nan 8.150 nan 0.000 0.492 83 K N 0.741 121.118 120.400 -0.038 0.000 2.267 83 K HA 0.374 4.708 4.320 0.024 0.000 0.246 83 K C 1.224 177.839 176.600 0.025 0.000 0.954 83 K CA 0.038 56.318 56.287 -0.011 0.000 0.824 83 K CB 1.602 34.087 32.500 -0.026 0.000 1.167 83 K HN 0.808 nan 8.250 nan 0.000 0.431 84 T N -1.769 112.808 114.554 0.039 0.000 2.849 84 T HA -0.187 4.177 4.350 0.024 0.000 0.270 84 T C 1.313 176.060 174.700 0.078 0.000 1.066 84 T CA 1.698 63.837 62.100 0.065 0.000 1.130 84 T CB -0.355 68.553 68.868 0.065 0.000 0.864 84 T HN 0.673 nan 8.240 nan 0.000 0.481 85 N N 1.342 120.081 118.700 0.064 0.000 2.550 85 N HA -0.062 4.692 4.740 0.024 0.000 0.186 85 N C 1.404 176.977 175.510 0.105 0.000 1.110 85 N CA 0.496 53.592 53.050 0.077 0.000 0.912 85 N CB -0.582 37.942 38.487 0.061 0.000 0.968 85 N HN 0.559 nan 8.380 nan 0.000 0.448 86 Q N -0.322 119.543 119.800 0.108 0.000 2.322 86 Q HA 0.126 4.480 4.340 0.024 0.000 0.203 86 Q C -0.412 175.745 176.000 0.262 0.000 0.923 86 Q CA 0.101 56.021 55.803 0.195 0.000 0.949 86 Q CB 0.181 28.977 28.738 0.095 0.000 1.039 86 Q HN 0.250 nan 8.270 nan 0.000 0.496 87 T N 0.568 115.230 114.554 0.181 0.000 2.751 87 T HA 0.271 4.636 4.350 0.024 0.000 0.290 87 T C -0.224 174.557 174.700 0.134 0.000 0.919 87 T CA 0.092 62.299 62.100 0.179 0.000 1.136 87 T CB 0.761 69.718 68.868 0.148 0.000 0.875 87 T HN 0.031 nan 8.240 nan 0.000 0.532 88 S N 2.232 118.001 115.700 0.115 0.000 2.655 88 S HA 0.518 5.002 4.470 0.024 0.000 0.266 88 S C -1.423 173.107 174.600 -0.117 0.000 1.149 88 S CA -0.763 57.392 58.200 -0.075 0.000 0.818 88 S CB 0.889 63.918 63.200 -0.284 0.000 1.130 88 S HN 0.382 nan 8.310 nan 0.000 0.476 89 V N 2.764 122.566 119.914 -0.187 0.000 2.407 89 V HA 0.483 4.617 4.120 0.024 0.000 0.278 89 V C -1.289 174.601 176.094 -0.340 0.000 1.037 89 V CA -0.277 61.900 62.300 -0.204 0.000 0.900 89 V CB 0.427 32.163 31.823 -0.146 0.000 0.983 89 V HN 0.738 nan 8.190 nan 0.000 0.459 90 Y N 4.330 124.511 120.300 -0.197 0.000 2.331 90 Y HA 0.636 5.200 4.550 0.023 0.000 0.338 90 Y C -0.275 175.581 175.900 -0.074 0.000 0.992 90 Y CA -0.563 57.535 58.100 -0.004 0.000 1.121 90 Y CB 1.415 39.883 38.460 0.013 0.000 1.184 90 Y HN 0.505 nan 8.280 nan 0.000 0.469 91 F N 1.916 122.179 119.950 0.522 0.000 2.482 91 F HA 0.487 5.028 4.527 0.023 0.000 0.331 91 F C 0.106 176.112 175.800 0.343 0.000 1.115 91 F CA -0.776 57.476 58.000 0.420 0.000 0.955 91 F CB 1.107 40.337 39.000 0.384 0.000 1.136 91 F HN 0.449 nan 8.300 nan 0.000 0.452 92 c N 2.672 121.353 118.600 0.135 0.000 2.362 92 c HA 0.950 5.534 4.570 0.024 0.000 0.363 92 c C -0.081 173.934 174.090 -0.126 0.000 1.220 92 c CA -0.013 56.087 56.329 -0.382 0.000 2.379 92 c CB 0.242 42.392 42.510 -0.599 0.000 2.351 92 c HN 0.963 nan 8.230 nan 0.000 0.582 93 A N 2.168 124.865 122.820 -0.205 0.000 2.608 93 A HA 0.813 5.147 4.320 0.024 0.000 0.292 93 A C -0.741 176.832 177.584 -0.019 0.000 1.066 93 A CA 0.100 51.935 52.037 -0.336 0.000 0.676 93 A CB 1.276 19.683 19.000 -0.987 0.000 1.277 93 A HN 1.679 nan 8.150 nan 0.000 0.413 94 S N -0.068 115.629 115.700 -0.005 0.000 2.618 94 S HA 0.969 5.453 4.470 0.024 0.000 0.277 94 S C -0.456 174.192 174.600 0.080 0.000 1.138 94 S CA 0.313 58.599 58.200 0.144 0.000 0.844 94 S CB 1.586 64.901 63.200 0.192 0.000 1.127 94 S HN 2.571 nan 8.310 nan 0.000 0.474 95 S N 0.238 115.895 115.700 -0.071 0.000 2.636 95 S HA 0.694 5.178 4.470 0.024 0.000 0.266 95 S C -0.293 174.037 174.600 -0.450 0.000 1.147 95 S CA -0.267 57.710 58.200 -0.372 0.000 0.815 95 S CB 0.482 63.644 63.200 -0.064 0.000 1.119 95 S HN 2.000 nan 8.310 nan 0.000 0.470 96 S N 0.295 115.765 115.700 -0.382 0.000 2.617 96 S HA 0.359 4.843 4.470 0.024 0.000 0.259 96 S C 1.419 176.001 174.600 -0.030 0.000 1.301 96 S CA 0.265 58.398 58.200 -0.112 0.000 0.984 96 S CB -0.033 63.151 63.200 -0.026 0.000 0.954 96 S HN 1.461 nan 8.310 nan 0.000 0.572 97 T N -1.635 112.925 114.554 0.009 0.000 3.035 97 T HA 0.206 4.570 4.350 0.024 0.000 0.268 97 T C 1.196 175.914 174.700 0.030 0.000 1.109 97 T CA 0.520 62.637 62.100 0.028 0.000 1.119 97 T CB -0.882 68.003 68.868 0.028 0.000 0.900 97 T HN 0.820 nan 8.240 nan 0.000 0.503 98 G N 1.090 109.900 108.800 0.018 0.000 2.975 98 G HA2 0.463 4.437 3.960 0.024 0.000 0.159 98 G HA3 0.463 4.437 3.960 0.024 0.000 0.159 98 G C 0.149 175.059 174.900 0.016 0.000 1.525 98 G CA -0.531 44.579 45.100 0.016 0.000 1.075 98 G HN 0.265 nan 8.290 nan 0.000 0.574 99 L N 0.457 121.684 121.223 0.008 0.000 2.769 99 L HA 0.387 4.741 4.340 0.024 0.000 0.240 99 L C 0.131 176.994 176.870 -0.012 0.000 1.163 99 L CA -0.407 54.434 54.840 0.002 0.000 0.962 99 L CB -0.760 41.300 42.059 0.002 0.000 1.258 99 L HN 0.205 nan 8.230 nan 0.000 0.513 106 Q N 1.340 120.977 119.800 -0.273 0.000 2.290 106 Q HA 0.530 4.885 4.340 0.024 0.000 0.259 106 Q C -1.521 174.318 176.000 -0.267 0.000 0.941 106 Q CA -0.609 55.056 55.803 -0.230 0.000 0.912 106 Q CB 0.769 29.382 28.738 -0.209 0.000 1.244 106 Q HN 0.664 nan 8.270 nan 0.000 0.441 107 Y N 2.851 123.094 120.300 -0.095 0.000 2.331 107 Y HA 0.375 4.939 4.550 0.023 0.000 0.338 107 Y C -0.642 175.192 175.900 -0.111 0.000 0.992 107 Y CA -0.481 57.618 58.100 -0.001 0.000 1.121 107 Y CB 0.926 39.416 38.460 0.048 0.000 1.184 107 Y HN 0.518 nan 8.280 nan 0.000 0.469 108 F N 1.020 121.016 119.950 0.077 0.000 2.458 108 F HA 0.648 5.189 4.527 0.024 0.000 0.330 108 F C 0.923 176.786 175.800 0.105 0.000 1.082 108 F CA -0.816 57.213 58.000 0.049 0.000 0.995 108 F CB 1.390 40.345 39.000 -0.074 0.000 1.170 108 F HN 0.559 nan 8.300 nan 0.000 0.478 109 G N 1.330 110.309 108.800 0.298 0.000 2.580 109 G HA2 0.394 4.368 3.960 0.024 0.000 0.278 109 G HA3 0.394 4.368 3.960 0.024 0.000 0.278 109 G C -2.153 172.942 174.900 0.324 0.000 1.212 109 G CA -1.163 44.074 45.100 0.228 0.000 0.939 109 G HN 0.443 nan 8.290 nan 0.000 0.513 110 P HA 0.201 nan 4.420 nan 0.000 0.231 110 P C 0.774 178.120 177.300 0.078 0.000 1.168 110 P CA 1.129 64.324 63.100 0.158 0.000 0.779 110 P CB 0.340 32.065 31.700 0.041 0.000 0.844 111 G N -1.707 107.034 108.800 -0.099 0.000 2.570 111 G HA2 0.031 4.005 3.960 0.024 0.000 0.686 111 G HA3 0.031 4.005 3.960 0.024 0.000 0.686 111 G C -1.096 173.583 174.900 -0.368 0.000 1.257 111 G CA -0.815 43.934 45.100 -0.584 0.000 0.846 111 G HN -0.001 nan 8.290 nan 0.000 0.627 112 T N 1.750 116.103 114.554 -0.336 0.000 2.906 112 T HA 0.491 4.855 4.350 0.024 0.000 0.302 112 T C 0.247 174.843 174.700 -0.174 0.000 1.002 112 T CA -0.729 61.236 62.100 -0.225 0.000 0.988 112 T CB 1.120 69.945 68.868 -0.072 0.000 0.972 112 T HN 0.609 nan 8.240 nan 0.000 0.447 113 R N 2.720 123.042 120.500 -0.296 0.000 2.291 113 R HA 0.268 4.622 4.340 0.024 0.000 0.333 113 R C -0.649 175.639 176.300 -0.020 0.000 1.082 113 R CA -0.653 55.340 56.100 -0.179 0.000 0.948 113 R CB 0.385 30.491 30.300 -0.324 0.000 1.009 113 R HN 0.342 nan 8.270 nan 0.000 0.460 114 L N 5.094 126.402 121.223 0.141 0.000 2.272 114 L HA 0.380 4.735 4.340 0.024 0.000 0.289 114 L C -1.179 175.826 176.870 0.225 0.000 1.032 114 L CA -0.632 54.322 54.840 0.190 0.000 0.810 114 L CB 1.282 43.471 42.059 0.217 0.000 1.205 114 L HN 0.428 nan 8.230 nan 0.000 0.422 115 L N 6.192 127.549 121.223 0.224 0.000 2.313 115 L HA 0.703 5.058 4.340 0.024 0.000 0.283 115 L C -1.218 175.726 176.870 0.124 0.000 1.013 115 L CA -0.242 54.697 54.840 0.165 0.000 0.816 115 L CB 1.829 43.939 42.059 0.084 0.000 1.236 115 L HN 0.422 nan 8.230 nan 0.000 0.419 116 V N 6.521 126.507 119.914 0.121 0.000 2.448 116 V HA 0.517 4.651 4.120 0.024 0.000 0.295 116 V C -0.117 176.041 176.094 0.107 0.000 1.025 116 V CA -0.471 61.887 62.300 0.096 0.000 0.859 116 V CB 1.602 33.472 31.823 0.078 0.000 0.988 116 V HN 0.649 nan 8.190 nan 0.000 0.431 117 L N 2.660 123.944 121.223 0.102 0.000 2.341 117 L HA 0.524 4.879 4.340 0.024 0.000 0.267 117 L C 1.123 178.042 176.870 0.081 0.000 1.009 117 L CA -0.599 54.310 54.840 0.115 0.000 0.819 117 L CB 2.470 44.621 42.059 0.153 0.000 1.323 117 L HN 0.577 nan 8.230 nan 0.000 0.425 118 E N 0.957 121.200 120.200 0.072 0.000 2.017 118 E HA -0.159 4.205 4.350 0.024 0.000 0.193 118 E C -0.178 176.448 176.600 0.043 0.000 0.997 118 E CA 1.688 58.116 56.400 0.047 0.000 0.804 118 E CB 0.307 30.030 29.700 0.037 0.000 0.757 118 E HN 0.716 nan 8.360 nan 0.000 0.448 119 D N -2.618 117.813 120.400 0.052 0.000 2.636 119 D HA 0.133 4.787 4.640 0.024 0.000 0.275 119 D C 0.315 176.668 176.300 0.088 0.000 1.130 119 D CA -0.585 53.443 54.000 0.047 0.000 1.031 119 D CB 0.243 41.047 40.800 0.007 0.000 1.451 119 D HN 0.122 nan 8.370 nan 0.000 0.505 120 L N -0.915 120.369 121.223 0.102 0.000 2.693 120 L HA 0.249 4.604 4.340 0.024 0.000 0.235 120 L C 0.965 177.965 176.870 0.216 0.000 1.127 120 L CA -0.367 54.597 54.840 0.207 0.000 0.914 120 L CB -0.161 42.092 42.059 0.324 0.000 1.193 120 L HN 0.063 nan 8.230 nan 0.000 0.502 124 F N 4.853 124.962 119.950 0.266 0.000 2.601 124 F HA 0.774 5.315 4.527 0.023 0.000 0.309 124 F C -2.444 173.238 175.800 -0.197 0.000 1.089 124 F CA -2.127 55.922 58.000 0.082 0.000 0.940 124 F CB 2.888 41.937 39.000 0.082 0.000 1.273 124 F HN 0.279 nan 8.300 nan 0.000 0.450 125 P HA 0.270 nan 4.420 nan 0.000 0.276 125 P C -2.722 174.336 177.300 -0.402 0.000 1.261 125 P CA -1.598 61.041 63.100 -0.767 0.000 0.800 125 P CB 0.116 31.597 31.700 -0.366 0.000 1.066 126 P HA 0.288 nan 4.420 nan 0.000 0.281 126 P C -0.773 176.487 177.300 -0.067 0.000 1.249 126 P CA -0.208 62.823 63.100 -0.116 0.000 0.810 126 P CB 0.868 32.416 31.700 -0.254 0.000 1.008 127 E N 0.443 120.654 120.200 0.019 0.000 2.151 127 E HA 0.397 4.761 4.350 0.024 0.000 0.275 127 E C -0.768 175.845 176.600 0.023 0.000 0.936 127 E CA -0.889 55.516 56.400 0.010 0.000 0.777 127 E CB 1.383 31.097 29.700 0.024 0.000 1.108 127 E HN 0.162 nan 8.360 nan 0.000 0.401 128 V N 1.886 121.795 119.914 -0.008 0.000 2.581 128 V HA 0.805 4.939 4.120 0.024 0.000 0.303 128 V C -0.251 175.841 176.094 -0.003 0.000 1.041 128 V CA -0.719 61.575 62.300 -0.011 0.000 0.907 128 V CB 1.542 33.327 31.823 -0.064 0.000 0.994 128 V HN 0.761 nan 8.190 nan 0.000 0.442 129 A N 3.467 126.305 122.820 0.030 0.000 2.515 129 A HA 0.876 5.210 4.320 0.024 0.000 0.298 129 A C -1.201 176.388 177.584 0.009 0.000 1.059 129 A CA -0.563 51.456 52.037 -0.030 0.000 0.698 129 A CB 2.017 20.982 19.000 -0.059 0.000 1.289 129 A HN 0.631 nan 8.150 nan 0.000 0.404 130 V N 1.663 121.519 119.914 -0.097 0.000 2.483 130 V HA 0.557 4.691 4.120 0.024 0.000 0.295 130 V C -1.101 174.909 176.094 -0.141 0.000 1.035 130 V CA -0.236 62.087 62.300 0.039 0.000 0.896 130 V CB 1.097 32.977 31.823 0.094 0.000 0.986 130 V HN 0.683 nan 8.190 nan 0.000 0.447 131 F N 2.060 122.051 119.950 0.069 0.000 2.458 131 F HA 0.483 5.023 4.527 0.022 0.000 0.336 131 F C 0.656 176.421 175.800 -0.058 0.000 1.114 131 F CA -0.678 57.334 58.000 0.019 0.000 0.987 131 F CB 1.363 40.370 39.000 0.012 0.000 1.130 131 F HN 0.464 nan 8.300 nan 0.000 0.458 132 E N 4.039 124.266 120.200 0.045 0.000 2.331 132 E HA 0.263 4.627 4.350 0.024 0.000 0.272 132 E C -2.256 174.196 176.600 -0.248 0.000 1.036 132 E CA -1.936 54.375 56.400 -0.149 0.000 0.864 132 E CB 0.420 30.158 29.700 0.064 0.000 1.035 132 E HN 0.246 nan 8.360 nan 0.000 0.408 133 P HA -0.124 nan 4.420 nan 0.000 0.261 133 P C -0.423 176.741 177.300 -0.227 0.000 1.165 133 P CA 0.338 63.138 63.100 -0.500 0.000 0.759 133 P CB 0.436 31.590 31.700 -0.909 0.000 0.772 134 S N 2.086 117.709 115.700 -0.129 0.000 2.549 134 S HA -0.028 4.457 4.470 0.024 0.000 0.286 134 S C 1.417 176.005 174.600 -0.021 0.000 1.314 134 S CA -0.218 57.955 58.200 -0.045 0.000 1.062 134 S CB 0.437 63.617 63.200 -0.032 0.000 0.865 134 S HN 0.392 nan 8.310 nan 0.000 0.498 135 E N 4.109 124.324 120.200 0.024 0.000 2.150 135 E HA 0.003 4.367 4.350 0.024 0.000 0.193 135 E C 2.055 178.682 176.600 0.045 0.000 0.985 135 E CA 1.677 58.110 56.400 0.054 0.000 0.814 135 E CB -0.631 29.110 29.700 0.068 0.000 0.752 135 E HN 0.795 nan 8.360 nan 0.000 0.466 136 A N 0.660 123.498 122.820 0.029 0.000 1.933 136 A HA -0.208 4.126 4.320 0.024 0.000 0.218 136 A C 2.180 179.796 177.584 0.052 0.000 1.175 136 A CA 1.720 53.774 52.037 0.028 0.000 0.628 136 A CB -0.555 18.446 19.000 0.001 0.000 0.814 136 A HN 0.389 nan 8.150 nan 0.000 0.444 137 E N -0.271 119.948 120.200 0.032 0.000 2.152 137 E HA -0.112 4.252 4.350 0.024 0.000 0.192 137 E C 1.820 178.445 176.600 0.042 0.000 0.983 137 E CA 0.894 57.319 56.400 0.041 0.000 0.818 137 E CB -0.156 29.536 29.700 -0.015 0.000 0.758 137 E HN 0.674 nan 8.360 nan 0.000 0.467 138 I N 0.576 121.166 120.570 0.032 0.000 2.252 138 I HA -0.229 3.955 4.170 0.024 0.000 0.245 138 I C 2.513 178.670 176.117 0.067 0.000 1.102 138 I CA 0.812 62.142 61.300 0.051 0.000 1.385 138 I CB -0.117 37.933 38.000 0.083 0.000 1.064 138 I HN 0.021 nan 8.210 nan 0.000 0.414 139 S N -0.629 115.118 115.700 0.079 0.000 2.368 139 S HA -0.244 4.240 4.470 0.024 0.000 0.224 139 S C 2.036 176.700 174.600 0.106 0.000 1.029 139 S CA 1.447 59.697 58.200 0.084 0.000 0.988 139 S CB -0.356 62.892 63.200 0.080 0.000 0.838 139 S HN 0.505 nan 8.310 nan 0.000 0.462 140 H N 1.081 120.156 119.070 0.009 0.000 2.403 140 H HA 0.026 4.600 4.556 0.029 0.000 0.298 140 H C 2.167 177.496 175.328 0.002 0.000 1.059 140 H CA 1.984 58.034 56.048 0.003 0.000 1.363 140 H CB -0.107 29.654 29.762 -0.003 0.000 1.410 140 H HN 0.462 nan 8.280 nan 0.000 0.528 141 T N -3.648 110.864 114.554 -0.071 0.000 2.975 141 T HA 0.105 4.469 4.350 0.024 0.000 0.257 141 T C 0.506 175.167 174.700 -0.065 0.000 1.003 141 T CA 0.108 62.127 62.100 -0.136 0.000 0.932 141 T CB 0.356 69.181 68.868 -0.072 0.000 1.087 141 T HN 0.208 nan 8.240 nan 0.000 0.512 142 Q N 0.094 119.883 119.800 -0.019 0.000 2.481 142 Q HA -0.139 4.215 4.340 0.024 0.000 0.258 142 Q C -0.599 175.411 176.000 0.016 0.000 0.961 142 Q CA 1.230 57.038 55.803 0.010 0.000 1.121 142 Q CB -1.950 26.790 28.738 0.002 0.000 1.503 142 Q HN 0.704 nan 8.270 nan 0.000 0.544 143 K N -0.750 119.649 120.400 -0.002 0.000 2.395 143 K HA 0.844 5.178 4.320 0.024 0.000 0.247 143 K C -0.827 175.747 176.600 -0.044 0.000 0.973 143 K CA -0.065 56.212 56.287 -0.017 0.000 0.828 143 K CB 2.134 34.609 32.500 -0.041 0.000 1.272 143 K HN 0.110 nan 8.250 nan 0.000 0.439 144 A N 1.135 123.905 122.820 -0.084 0.000 2.353 144 A HA 0.518 4.853 4.320 0.024 0.000 0.299 144 A C -1.073 176.335 177.584 -0.293 0.000 1.089 144 A CA -0.657 51.252 52.037 -0.213 0.000 0.736 144 A CB 1.205 20.046 19.000 -0.266 0.000 1.195 144 A HN 0.530 nan 8.150 nan 0.000 0.447 145 T N 3.358 117.725 114.554 -0.312 0.000 2.756 145 T HA 0.500 4.864 4.350 0.024 0.000 0.290 145 T C -0.372 174.111 174.700 -0.362 0.000 0.985 145 T CA -0.106 61.815 62.100 -0.299 0.000 0.955 145 T CB 0.302 69.056 68.868 -0.188 0.000 0.930 145 T HN 0.392 nan 8.240 nan 0.000 0.451 146 L N 3.802 124.763 121.223 -0.437 0.000 2.292 146 L HA 0.481 4.835 4.340 0.024 0.000 0.284 146 L C -0.047 176.781 176.870 -0.070 0.000 1.065 146 L CA -0.377 54.269 54.840 -0.323 0.000 0.806 146 L CB 1.172 42.968 42.059 -0.438 0.000 1.175 146 L HN 0.367 nan 8.230 nan 0.000 0.431 147 V N 2.672 122.676 119.914 0.150 0.000 2.398 147 V HA 0.330 4.465 4.120 0.024 0.000 0.286 147 V C -0.245 176.127 176.094 0.463 0.000 1.026 147 V CA -0.626 61.837 62.300 0.271 0.000 0.868 147 V CB 1.713 33.592 31.823 0.093 0.000 0.982 147 V HN 0.894 nan 8.190 nan 0.000 0.443 148 c N 6.485 125.374 118.600 0.482 0.000 2.366 148 c HA 0.822 5.406 4.570 0.024 0.000 0.345 148 c C -0.492 173.711 174.090 0.187 0.000 1.209 148 c CA -0.492 55.983 56.329 0.244 0.000 2.050 148 c CB 0.656 43.090 42.510 -0.126 0.000 2.359 148 c HN 0.798 nan 8.230 nan 0.000 0.527 149 L N 5.150 126.486 121.223 0.187 0.000 2.446 149 L HA 0.630 4.984 4.340 0.024 0.000 0.268 149 L C -0.045 176.910 176.870 0.143 0.000 0.975 149 L CA 0.086 55.033 54.840 0.178 0.000 0.848 149 L CB 1.291 43.505 42.059 0.259 0.000 1.225 149 L HN 0.858 nan 8.230 nan 0.000 0.410 150 A N 2.919 125.823 122.820 0.141 0.000 2.252 150 A HA 0.756 5.090 4.320 0.024 0.000 0.309 150 A C 0.046 177.842 177.584 0.353 0.000 1.285 150 A CA -0.076 52.063 52.037 0.169 0.000 0.900 150 A CB 0.167 19.189 19.000 0.036 0.000 1.157 150 A HN 0.661 nan 8.150 nan 0.000 0.536 151 T N -0.914 113.804 114.554 0.273 0.000 2.942 151 T HA 0.656 5.021 4.350 0.024 0.000 0.289 151 T C 0.789 175.596 174.700 0.178 0.000 1.044 151 T CA -0.089 62.130 62.100 0.198 0.000 1.023 151 T CB 1.419 70.343 68.868 0.092 0.000 1.123 151 T HN 2.208 nan 8.240 nan 0.000 0.512 152 G N 1.303 110.099 108.800 -0.007 0.000 2.356 152 G HA2 -0.166 3.808 3.960 0.024 0.000 0.296 152 G HA3 -0.166 3.808 3.960 0.024 0.000 0.296 152 G C -0.214 174.698 174.900 0.021 0.000 1.022 152 G CA 0.492 45.538 45.100 -0.090 0.000 0.961 152 G HN 1.220 nan 8.290 nan 0.000 0.510 153 F N -1.545 118.448 119.950 0.071 0.000 2.480 153 F HA 0.846 5.387 4.527 0.024 0.000 0.329 153 F C -0.437 175.592 175.800 0.382 0.000 1.091 153 F CA -2.869 55.201 58.000 0.116 0.000 0.972 153 F CB 1.413 40.399 39.000 -0.024 0.000 1.150 153 F HN 0.105 nan 8.300 nan 0.000 0.467 154 Y N 4.261 124.829 120.300 0.447 0.000 2.433 154 Y HA 0.558 5.122 4.550 0.024 0.000 0.337 154 Y C -2.850 173.325 175.900 0.458 0.000 1.026 154 Y CA -2.507 55.859 58.100 0.444 0.000 1.037 154 Y CB 2.551 41.224 38.460 0.355 0.000 1.245 154 Y HN 0.524 nan 8.280 nan 0.000 0.443 155 P HA 0.107 nan 4.420 nan 0.000 0.293 155 P C -0.614 176.736 177.300 0.083 0.000 1.304 155 P CA -0.119 62.610 63.100 -0.619 0.000 0.767 155 P CB 0.845 31.918 31.700 -1.044 0.000 1.247 156 D N -1.487 118.885 120.400 -0.047 0.000 2.982 156 D HA -0.057 4.597 4.640 0.024 0.000 0.238 156 D C -0.286 176.181 176.300 0.278 0.000 1.168 156 D CA 0.058 54.171 54.000 0.189 0.000 0.947 156 D CB -1.637 38.940 40.800 -0.371 0.000 1.147 156 D HN 0.435 nan 8.370 nan 0.000 0.450 157 H N 0.186 119.267 119.070 0.017 0.000 2.508 157 H HA 0.330 4.900 4.556 0.023 0.000 0.224 157 H C -0.073 175.051 175.328 -0.341 0.000 1.723 157 H CA -0.859 55.009 56.048 -0.300 0.000 1.251 157 H CB 0.564 30.110 29.762 -0.361 0.000 1.627 157 H HN 0.176 nan 8.280 nan 0.000 0.543 158 V N -0.763 119.088 119.914 -0.105 0.000 2.914 158 V HA 0.522 4.656 4.120 0.024 0.000 0.314 158 V C -0.446 175.636 176.094 -0.021 0.000 1.084 158 V CA -1.071 61.174 62.300 -0.092 0.000 0.963 158 V CB 2.933 34.583 31.823 -0.288 0.000 1.025 158 V HN 0.403 nan 8.190 nan 0.000 0.432 159 E N 2.590 122.805 120.200 0.026 0.000 2.218 159 E HA 0.590 4.954 4.350 0.024 0.000 0.263 159 E C -1.411 175.207 176.600 0.030 0.000 0.879 159 E CA -0.495 55.958 56.400 0.087 0.000 0.762 159 E CB 2.626 32.448 29.700 0.203 0.000 1.166 159 E HN 0.793 nan 8.360 nan 0.000 0.415 160 L N 2.888 124.125 121.223 0.022 0.000 2.307 160 L HA 0.572 4.926 4.340 0.024 0.000 0.284 160 L C -0.953 175.918 176.870 0.000 0.000 1.023 160 L CA -0.211 54.613 54.840 -0.027 0.000 0.810 160 L CB 1.068 43.090 42.059 -0.063 0.000 1.231 160 L HN 0.616 nan 8.230 nan 0.000 0.423 161 S N 1.957 117.642 115.700 -0.026 0.000 2.540 161 S HA 0.539 5.023 4.470 0.024 0.000 0.275 161 S C -1.569 172.979 174.600 -0.087 0.000 1.123 161 S CA -0.793 57.395 58.200 -0.020 0.000 0.907 161 S CB 0.938 64.166 63.200 0.046 0.000 1.081 161 S HN 0.567 nan 8.310 nan 0.000 0.476 162 W N 1.366 122.591 121.300 -0.125 0.000 2.361 162 W HA 0.619 5.298 4.660 0.032 0.000 0.309 162 W C -1.160 175.210 176.519 -0.247 0.000 1.122 162 W CA -0.189 57.118 57.345 -0.063 0.000 1.208 162 W CB 1.029 30.459 29.460 -0.050 0.000 1.246 162 W HN 0.661 nan 8.180 nan 0.000 0.490 163 W N 3.925 125.351 121.300 0.211 0.000 2.471 163 W HA 0.589 5.263 4.660 0.025 0.000 0.318 163 W C -1.097 175.487 176.519 0.108 0.000 1.034 163 W CA -0.891 56.516 57.345 0.104 0.000 1.224 163 W CB 1.158 30.639 29.460 0.033 0.000 1.335 163 W HN -0.186 nan 8.180 nan 0.000 0.452 164 V N 5.107 125.155 119.914 0.222 0.000 2.444 164 V HA 0.237 4.371 4.120 0.024 0.000 0.294 164 V C 0.018 176.161 176.094 0.080 0.000 1.022 164 V CA -1.078 61.275 62.300 0.088 0.000 0.850 164 V CB 1.411 33.292 31.823 0.096 0.000 0.992 164 V HN 0.712 nan 8.190 nan 0.000 0.426 165 N N 4.138 122.852 118.700 0.022 0.000 2.725 165 N HA -0.224 4.530 4.740 0.024 0.000 0.249 165 N C 1.188 176.773 175.510 0.125 0.000 1.103 165 N CA 1.585 54.670 53.050 0.060 0.000 0.707 165 N CB -1.110 37.403 38.487 0.044 0.000 1.043 165 N HN 1.517 nan 8.380 nan 0.000 0.553 166 G N -1.514 107.409 108.800 0.204 0.000 2.179 166 G HA2 -0.352 3.623 3.960 0.024 0.000 0.260 166 G HA3 -0.352 3.623 3.960 0.024 0.000 0.260 166 G C 0.035 175.173 174.900 0.396 0.000 0.977 166 G CA 0.914 46.160 45.100 0.244 0.000 0.641 166 G HN 0.522 nan 8.290 nan 0.000 0.533 167 K N 0.492 121.082 120.400 0.317 0.000 2.156 167 K HA 0.508 4.843 4.320 0.024 0.000 0.254 167 K C -0.096 176.498 176.600 -0.010 0.000 0.950 167 K CA -0.703 55.712 56.287 0.213 0.000 0.849 167 K CB 1.901 34.451 32.500 0.083 0.000 1.100 167 K HN 0.256 nan 8.250 nan 0.000 0.434 168 E N 1.990 121.879 120.200 -0.518 0.000 2.313 168 E HA 0.178 4.542 4.350 0.024 0.000 0.276 168 E C -0.853 175.406 176.600 -0.568 0.000 1.031 168 E CA -0.656 55.141 56.400 -1.006 0.000 0.857 168 E CB 1.041 29.871 29.700 -1.451 0.000 1.040 168 E HN 0.367 nan 8.360 nan 0.000 0.408 169 V N 2.160 121.766 119.914 -0.514 0.000 2.715 169 V HA 0.416 4.551 4.120 0.024 0.000 0.310 169 V C -0.008 175.795 176.094 -0.484 0.000 1.054 169 V CA -0.459 61.630 62.300 -0.353 0.000 0.928 169 V CB 1.779 33.511 31.823 -0.152 0.000 1.007 169 V HN 0.831 nan 8.190 nan 0.000 0.437 170 H N 0.877 119.903 119.070 -0.073 0.000 2.735 170 H HA 0.299 4.868 4.556 0.023 0.000 0.250 170 H C 1.360 176.656 175.328 -0.054 0.000 0.948 170 H CA 0.774 56.792 56.048 -0.049 0.000 1.137 170 H CB 0.804 30.538 29.762 -0.047 0.000 1.440 170 H HN 0.718 nan 8.280 nan 0.000 0.444 171 S N 0.135 115.858 115.700 0.038 0.000 2.549 171 S HA 0.267 4.752 4.470 0.024 0.000 0.286 171 S C 1.421 175.977 174.600 -0.074 0.000 1.314 171 S CA 1.016 59.202 58.200 -0.022 0.000 1.062 171 S CB 0.088 63.260 63.200 -0.047 0.000 0.865 171 S HN 0.793 nan 8.310 nan 0.000 0.498 172 G N 2.736 111.489 108.800 -0.077 0.000 2.184 172 G HA2 -0.222 3.752 3.960 0.024 0.000 0.264 172 G HA3 -0.222 3.752 3.960 0.024 0.000 0.264 172 G C 0.096 174.904 174.900 -0.153 0.000 0.975 172 G CA 0.235 45.262 45.100 -0.122 0.000 0.642 172 G HN 0.995 nan 8.290 nan 0.000 0.536 173 V N 0.841 120.697 119.914 -0.095 0.000 2.539 173 V HA 0.653 4.787 4.120 0.024 0.000 0.292 173 V C 0.784 176.895 176.094 0.028 0.000 1.045 173 V CA -0.098 62.170 62.300 -0.054 0.000 0.945 173 V CB 1.533 33.393 31.823 0.063 0.000 0.993 173 V HN 1.247 nan 8.190 nan 0.000 0.464 174 C N 2.622 121.962 119.300 0.067 0.000 2.716 174 C HA 0.706 5.180 4.460 0.024 0.000 0.366 174 C C -0.147 174.928 174.990 0.141 0.000 1.073 174 C CA -0.385 58.687 59.018 0.090 0.000 1.260 174 C CB 0.489 28.256 27.740 0.045 0.000 1.755 174 C HN 0.826 nan 8.230 nan 0.000 0.475 175 T N 3.630 118.272 114.554 0.146 0.000 2.907 175 T HA 0.374 4.738 4.350 0.024 0.000 0.284 175 T C -0.213 174.550 174.700 0.106 0.000 1.004 175 T CA -0.016 62.171 62.100 0.145 0.000 1.063 175 T CB 0.866 69.816 68.868 0.136 0.000 0.992 175 T HN 0.770 nan 8.240 nan 0.000 0.483 176 D N 3.396 123.859 120.400 0.104 0.000 2.525 176 D HA 0.038 4.692 4.640 0.024 0.000 0.235 176 D C -1.244 175.108 176.300 0.086 0.000 1.137 176 D CA -1.137 52.917 54.000 0.090 0.000 0.868 176 D CB 1.035 41.895 40.800 0.099 0.000 1.180 176 D HN 0.269 nan 8.370 nan 0.000 0.465 177 P HA -0.069 nan 4.420 nan 0.000 0.216 177 P C 0.135 177.479 177.300 0.073 0.000 1.153 177 P CA 1.071 64.211 63.100 0.065 0.000 0.844 177 P CB 0.422 32.152 31.700 0.050 0.000 0.787 178 Q N -0.634 119.213 119.800 0.078 0.000 2.345 178 Q HA 0.437 4.791 4.340 0.024 0.000 0.268 178 Q C -2.453 173.616 176.000 0.115 0.000 1.054 178 Q CA -2.435 53.419 55.803 0.086 0.000 0.835 178 Q CB 0.353 29.139 28.738 0.079 0.000 1.339 178 Q HN 0.035 nan 8.270 nan 0.000 0.447 179 P HA 0.256 nan 4.420 nan 0.000 0.273 179 P C -0.637 176.794 177.300 0.218 0.000 1.250 179 P CA -0.459 62.761 63.100 0.200 0.000 0.793 179 P CB 0.644 32.442 31.700 0.164 0.000 1.011 180 L N 0.603 121.960 121.223 0.223 0.000 2.334 180 L HA 0.373 4.728 4.340 0.024 0.000 0.276 180 L C 0.094 177.037 176.870 0.122 0.000 1.014 180 L CA -0.855 54.074 54.840 0.150 0.000 0.815 180 L CB 1.380 43.487 42.059 0.081 0.000 1.268 180 L HN 0.204 nan 8.230 nan 0.000 0.428 181 K N 3.291 123.715 120.400 0.039 0.000 2.316 181 K HA 0.116 4.450 4.320 0.024 0.000 0.289 181 K C 0.393 176.909 176.600 -0.140 0.000 1.070 181 K CA -0.206 55.994 56.287 -0.144 0.000 0.928 181 K CB 1.247 33.676 32.500 -0.118 0.000 1.039 181 K HN 0.610 nan 8.250 nan 0.000 0.480 182 E N 1.641 121.717 120.200 -0.206 0.000 2.110 182 E HA -0.156 4.208 4.350 0.024 0.000 0.193 182 E C -0.003 176.516 176.600 -0.136 0.000 0.988 182 E CA 1.024 57.331 56.400 -0.154 0.000 0.804 182 E CB 0.313 29.906 29.700 -0.179 0.000 0.745 182 E HN 0.407 nan 8.360 nan 0.000 0.458 183 Q N -0.200 119.500 119.800 -0.165 0.000 2.798 183 Q HA 0.165 4.519 4.340 0.024 0.000 0.250 183 Q C -2.217 173.714 176.000 -0.115 0.000 1.006 183 Q CA -1.598 54.129 55.803 -0.128 0.000 0.759 183 Q CB 1.372 30.029 28.738 -0.136 0.000 1.201 183 Q HN 0.063 nan 8.270 nan 0.000 0.486 184 P HA -0.218 nan 4.420 nan 0.000 0.217 184 P C 1.176 178.450 177.300 -0.042 0.000 1.151 184 P CA 1.749 64.817 63.100 -0.053 0.000 0.849 184 P CB 0.359 32.041 31.700 -0.030 0.000 0.787 185 A N -0.979 121.815 122.820 -0.044 0.000 1.898 185 A HA -0.088 4.246 4.320 0.024 0.000 0.216 185 A C 1.223 178.784 177.584 -0.038 0.000 1.181 185 A CA 0.900 52.917 52.037 -0.034 0.000 0.620 185 A CB -1.301 17.680 19.000 -0.032 0.000 0.819 185 A HN 0.121 nan 8.150 nan 0.000 0.442 186 L N 0.485 121.672 121.223 -0.061 0.000 2.397 186 L HA 0.112 4.466 4.340 0.024 0.000 0.271 186 L C 1.115 177.946 176.870 -0.065 0.000 1.148 186 L CA -0.355 54.444 54.840 -0.068 0.000 0.825 186 L CB 0.488 42.489 42.059 -0.097 0.000 1.117 186 L HN 0.372 nan 8.230 nan 0.000 0.456 187 N N 1.032 119.707 118.700 -0.041 0.000 2.424 187 N HA -0.088 4.666 4.740 0.024 0.000 0.178 187 N C 0.243 175.741 175.510 -0.020 0.000 1.060 187 N CA 0.546 53.594 53.050 -0.003 0.000 0.901 187 N CB 0.368 38.870 38.487 0.025 0.000 0.979 187 N HN 0.699 nan 8.380 nan 0.000 0.451 188 D N -0.256 120.069 120.400 -0.123 0.000 2.368 188 D HA -0.003 4.651 4.640 0.024 0.000 0.218 188 D C 0.278 176.303 176.300 -0.458 0.000 1.112 188 D CA -0.160 53.648 54.000 -0.321 0.000 0.834 188 D CB -0.208 40.425 40.800 -0.278 0.000 0.953 188 D HN -0.223 nan 8.370 nan 0.000 0.505 189 S N 0.535 116.054 115.700 -0.302 0.000 2.558 189 S HA 0.018 4.502 4.470 0.024 0.000 0.293 189 S C 0.576 174.895 174.600 -0.469 0.000 1.292 189 S CA -0.411 57.581 58.200 -0.347 0.000 1.063 189 S CB 0.504 63.513 63.200 -0.317 0.000 0.831 189 S HN 0.137 nan 8.310 nan 0.000 0.499 190 R N 2.062 122.334 120.500 -0.380 0.000 2.637 190 R HA 0.282 4.636 4.340 0.024 0.000 0.269 190 R C -0.884 175.083 176.300 -0.556 0.000 1.089 190 R CA -0.092 55.822 56.100 -0.310 0.000 1.177 190 R CB 0.351 30.506 30.300 -0.242 0.000 1.091 190 R HN 0.629 nan 8.270 nan 0.000 0.540 191 Y N -0.841 119.172 120.300 -0.480 0.000 2.487 191 Y HA 0.547 5.111 4.550 0.023 0.000 0.337 191 Y C 0.138 175.504 175.900 -0.891 0.000 1.076 191 Y CA -0.752 56.932 58.100 -0.693 0.000 1.115 191 Y CB 2.107 40.091 38.460 -0.793 0.000 1.235 191 Y HN 0.618 nan 8.280 nan 0.000 0.468 192 A N 2.332 125.040 122.820 -0.187 0.000 2.401 192 A HA 0.836 5.170 4.320 0.024 0.000 0.310 192 A C -2.084 175.667 177.584 0.279 0.000 1.075 192 A CA -0.672 51.411 52.037 0.077 0.000 0.746 192 A CB 1.461 20.490 19.000 0.049 0.000 1.277 192 A HN 0.678 nan 8.150 nan 0.000 0.425 193 L N 1.775 123.238 121.223 0.399 0.000 2.464 193 L HA 0.718 5.072 4.340 0.024 0.000 0.266 193 L C -0.135 176.847 176.870 0.186 0.000 0.965 193 L CA 0.152 55.170 54.840 0.298 0.000 0.833 193 L CB 2.280 44.546 42.059 0.346 0.000 1.296 193 L HN 0.901 nan 8.230 nan 0.000 0.405 194 S N 2.614 118.397 115.700 0.138 0.000 2.537 194 S HA 0.912 5.396 4.470 0.024 0.000 0.301 194 S C -0.578 174.104 174.600 0.136 0.000 1.092 194 S CA -0.539 57.731 58.200 0.117 0.000 1.048 194 S CB 1.851 65.098 63.200 0.078 0.000 1.053 194 S HN 0.752 nan 8.310 nan 0.000 0.501 195 S N 0.671 116.484 115.700 0.188 0.000 2.595 195 S HA 0.717 5.202 4.470 0.024 0.000 0.281 195 S C -1.393 173.471 174.600 0.439 0.000 1.117 195 S CA -0.885 57.498 58.200 0.304 0.000 0.873 195 S CB 1.253 64.644 63.200 0.319 0.000 1.108 195 S HN 0.812 nan 8.310 nan 0.000 0.477 196 R N 1.437 122.155 120.500 0.363 0.000 2.575 196 R HA 0.601 4.955 4.340 0.024 0.000 0.293 196 R C -1.733 174.421 176.300 -0.244 0.000 0.983 196 R CA -0.726 55.436 56.100 0.103 0.000 0.887 196 R CB 1.822 32.129 30.300 0.013 0.000 1.184 196 R HN 0.434 nan 8.270 nan 0.000 0.445 197 L N 2.410 123.194 121.223 -0.731 0.000 2.333 197 L HA 0.538 4.892 4.340 0.024 0.000 0.280 197 L C -0.932 175.613 176.870 -0.541 0.000 1.004 197 L CA -0.358 53.931 54.840 -0.919 0.000 0.820 197 L CB 1.507 42.527 42.059 -1.732 0.000 1.247 197 L HN 0.547 nan 8.230 nan 0.000 0.416 198 R N 4.472 124.764 120.500 -0.347 0.000 2.360 198 R HA 0.758 5.112 4.340 0.024 0.000 0.318 198 R C -1.097 175.098 176.300 -0.176 0.000 0.950 198 R CA -0.575 55.382 56.100 -0.239 0.000 0.837 198 R CB 1.338 31.537 30.300 -0.169 0.000 1.165 198 R HN 0.660 nan 8.270 nan 0.000 0.458 199 V N 0.701 120.540 119.914 -0.125 0.000 3.166 199 V HA 0.652 4.786 4.120 0.024 0.000 0.317 199 V C 0.048 176.158 176.094 0.027 0.000 1.136 199 V CA -0.977 61.304 62.300 -0.031 0.000 1.035 199 V CB 1.734 33.659 31.823 0.170 0.000 1.110 199 V HN 0.820 nan 8.190 nan 0.000 0.450 200 S N 0.831 116.578 115.700 0.077 0.000 2.565 200 S HA 0.534 5.018 4.470 0.024 0.000 0.276 200 S C 1.328 176.054 174.600 0.209 0.000 1.326 200 S CA 0.064 58.331 58.200 0.112 0.000 1.045 200 S CB 1.077 64.339 63.200 0.104 0.000 0.918 200 S HN 1.902 nan 8.310 nan 0.000 0.505 201 A N 2.793 125.708 122.820 0.158 0.000 1.917 201 A HA -0.128 4.207 4.320 0.024 0.000 0.219 201 A C 2.499 180.231 177.584 0.247 0.000 1.182 201 A CA 2.459 54.616 52.037 0.201 0.000 0.633 201 A CB -2.068 17.013 19.000 0.135 0.000 0.819 201 A HN 1.288 nan 8.150 nan 0.000 0.448 202 T N -3.549 111.127 114.554 0.203 0.000 2.788 202 T HA -0.168 4.196 4.350 0.024 0.000 0.268 202 T C 1.738 176.574 174.700 0.227 0.000 1.044 202 T CA 1.542 63.749 62.100 0.178 0.000 1.139 202 T CB -0.534 68.418 68.868 0.140 0.000 0.867 202 T HN 0.345 nan 8.240 nan 0.000 0.454 203 F N 0.451 120.498 119.950 0.162 0.000 2.134 203 F HA 0.053 4.587 4.527 0.011 0.000 0.299 203 F C 2.381 178.382 175.800 0.335 0.000 1.097 203 F CA 1.456 59.581 58.000 0.209 0.000 1.264 203 F CB -0.274 38.852 39.000 0.211 0.000 1.001 203 F HN 0.300 nan 8.300 nan 0.000 0.479 204 W N 1.198 122.682 121.300 0.306 0.000 2.388 204 W HA -0.193 4.475 4.660 0.014 0.000 0.294 204 W C 1.775 178.374 176.519 0.134 0.000 1.212 204 W CA 1.423 58.892 57.345 0.208 0.000 1.271 204 W CB -0.485 29.011 29.460 0.060 0.000 1.126 204 W HN 0.140 nan 8.180 nan 0.000 0.535 205 Q N 0.254 120.077 119.800 0.038 0.000 2.437 205 Q HA -0.126 4.228 4.340 0.024 0.000 0.210 205 Q C 0.772 176.689 176.000 -0.138 0.000 0.972 205 Q CA 0.448 56.196 55.803 -0.093 0.000 0.903 205 Q CB -0.347 28.418 28.738 0.044 0.000 0.967 205 Q HN 0.022 nan 8.270 nan 0.000 0.486 206 N N 1.053 119.675 118.700 -0.131 0.000 2.420 206 N HA 0.018 4.772 4.740 0.024 0.000 0.262 206 N C -2.137 173.276 175.510 -0.161 0.000 1.144 206 N CA -1.569 51.393 53.050 -0.147 0.000 0.952 206 N CB 1.263 39.634 38.487 -0.193 0.000 1.081 206 N HN -0.093 nan 8.380 nan 0.000 0.480 207 P HA 0.015 nan 4.420 nan 0.000 0.223 207 P C 0.985 178.297 177.300 0.020 0.000 1.151 207 P CA 0.731 63.782 63.100 -0.081 0.000 0.787 207 P CB 0.396 32.035 31.700 -0.102 0.000 0.788 208 R N -0.986 119.509 120.500 -0.008 0.000 2.235 208 R HA 0.076 4.430 4.340 0.024 0.000 0.213 208 R C 0.243 176.627 176.300 0.140 0.000 1.059 208 R CA 0.452 56.589 56.100 0.062 0.000 0.997 208 R CB -0.735 29.558 30.300 -0.011 0.000 0.884 208 R HN 0.281 nan 8.270 nan 0.000 0.462 209 N N 1.640 120.321 118.700 -0.031 0.000 2.442 209 N HA -0.025 4.730 4.740 0.024 0.000 0.265 209 N C -0.671 174.664 175.510 -0.291 0.000 1.138 209 N CA 0.217 53.095 53.050 -0.288 0.000 0.956 209 N CB 0.651 38.747 38.487 -0.651 0.000 1.067 209 N HN 0.106 nan 8.380 nan 0.000 0.474 210 H N 2.221 120.923 119.070 -0.613 0.000 2.476 210 H HA 0.400 4.970 4.556 0.023 0.000 0.328 210 H C -1.148 173.790 175.328 -0.650 0.000 1.073 210 H CA -0.465 55.068 56.048 -0.859 0.000 1.229 210 H CB 0.166 29.348 29.762 -0.967 0.000 1.432 210 H HN 0.303 nan 8.280 nan 0.000 0.477 211 F N 4.101 123.727 119.950 -0.539 0.000 2.458 211 F HA 0.485 5.022 4.527 0.017 0.000 0.336 211 F C 0.236 175.862 175.800 -0.290 0.000 1.114 211 F CA -0.789 57.109 58.000 -0.169 0.000 0.987 211 F CB 1.515 40.599 39.000 0.140 0.000 1.130 211 F HN 0.381 nan 8.300 nan 0.000 0.458 212 R N 2.296 122.879 120.500 0.139 0.000 2.538 212 R HA 0.564 4.918 4.340 0.024 0.000 0.292 212 R C -1.756 174.609 176.300 0.107 0.000 1.008 212 R CA -0.492 55.639 56.100 0.051 0.000 0.896 212 R CB 1.545 31.835 30.300 -0.017 0.000 1.187 212 R HN 0.887 nan 8.270 nan 0.000 0.440 213 c N 4.471 122.971 118.600 -0.167 0.000 2.285 213 c HA 0.404 4.989 4.570 0.024 0.000 0.335 213 c C -0.287 173.648 174.090 -0.258 0.000 1.267 213 c CA -0.175 55.830 56.329 -0.539 0.000 1.762 213 c CB 0.653 42.648 42.510 -0.857 0.000 2.365 213 c HN 0.893 nan 8.230 nan 0.000 0.527 214 Q N 4.675 124.379 119.800 -0.160 0.000 2.331 214 Q HA 0.667 5.021 4.340 0.024 0.000 0.267 214 Q C -1.714 174.233 176.000 -0.088 0.000 1.006 214 Q CA -0.490 55.271 55.803 -0.070 0.000 0.818 214 Q CB 1.709 30.474 28.738 0.045 0.000 1.276 214 Q HN 0.658 nan 8.270 nan 0.000 0.450 215 V N 4.251 124.098 119.914 -0.112 0.000 2.326 215 V HA 0.195 4.329 4.120 0.024 0.000 0.281 215 V C -0.424 175.608 176.094 -0.103 0.000 1.015 215 V CA -0.720 61.508 62.300 -0.120 0.000 0.823 215 V CB 1.250 32.967 31.823 -0.178 0.000 1.009 215 V HN 0.796 nan 8.190 nan 0.000 0.436 216 Q N 4.084 123.829 119.800 -0.091 0.000 2.296 216 Q HA 0.357 4.711 4.340 0.024 0.000 0.262 216 Q C -1.237 174.635 176.000 -0.213 0.000 0.981 216 Q CA 0.203 55.899 55.803 -0.178 0.000 0.905 216 Q CB 0.842 29.472 28.738 -0.180 0.000 1.186 216 Q HN 0.594 nan 8.270 nan 0.000 0.399 217 F N 5.235 124.928 119.950 -0.428 0.000 2.477 217 F HA 0.425 4.966 4.527 0.023 0.000 0.335 217 F C -1.804 173.756 175.800 -0.399 0.000 1.130 217 F CA -0.935 56.857 58.000 -0.346 0.000 0.948 217 F CB 0.831 39.697 39.000 -0.224 0.000 1.154 217 F HN 0.536 nan 8.300 nan 0.000 0.439 218 Y N 5.551 125.336 120.300 -0.860 0.000 2.404 218 Y HA 0.597 5.161 4.550 0.023 0.000 0.344 218 Y C 0.692 175.995 175.900 -0.996 0.000 0.970 218 Y CA 0.005 57.686 58.100 -0.698 0.000 1.180 218 Y CB 1.129 39.312 38.460 -0.462 0.000 1.138 218 Y HN 0.784 nan 8.280 nan 0.000 0.510 219 G N 1.714 110.127 108.800 -0.647 0.000 3.291 219 G HA2 0.448 4.423 3.960 0.024 0.000 0.173 219 G HA3 0.448 4.423 3.960 0.024 0.000 0.173 219 G C -1.282 173.526 174.900 -0.154 0.000 1.099 219 G CA -0.879 43.942 45.100 -0.464 0.000 0.794 219 G HN 0.239 nan 8.290 nan 0.000 0.651 220 L N 1.332 122.498 121.223 -0.096 0.000 2.426 220 L HA 0.442 4.796 4.340 0.024 0.000 0.271 220 L C 1.201 178.037 176.870 -0.057 0.000 1.169 220 L CA 0.108 54.909 54.840 -0.065 0.000 0.836 220 L CB 1.303 43.299 42.059 -0.106 0.000 1.112 220 L HN 0.432 nan 8.230 nan 0.000 0.465 221 S N 1.104 116.789 115.700 -0.025 0.000 2.603 221 S HA 0.139 4.624 4.470 0.024 0.000 0.268 221 S C 1.058 175.647 174.600 -0.018 0.000 1.317 221 S CA -0.173 58.017 58.200 -0.016 0.000 1.012 221 S CB 0.699 63.899 63.200 0.001 0.000 0.926 221 S HN 0.712 nan 8.310 nan 0.000 0.539 222 E N 2.210 122.400 120.200 -0.016 0.000 2.478 222 E HA -0.050 4.314 4.350 0.024 0.000 0.198 222 E C 0.980 177.585 176.600 0.009 0.000 1.046 222 E CA 1.340 57.734 56.400 -0.011 0.000 0.870 222 E CB -0.511 29.182 29.700 -0.012 0.000 0.818 222 E HN 0.696 nan 8.360 nan 0.000 0.527 223 N N 0.212 118.919 118.700 0.012 0.000 2.336 223 N HA 0.000 4.754 4.740 0.024 0.000 0.189 223 N C -0.535 174.995 175.510 0.034 0.000 1.113 223 N CA -0.139 52.923 53.050 0.020 0.000 0.858 223 N CB 0.339 38.834 38.487 0.013 0.000 0.970 223 N HN 0.111 nan 8.380 nan 0.000 0.471 224 D N 1.209 121.634 120.400 0.042 0.000 2.341 224 D HA 0.045 4.699 4.640 0.024 0.000 0.245 224 D C 0.039 176.406 176.300 0.113 0.000 1.106 224 D CA 0.351 54.394 54.000 0.071 0.000 0.905 224 D CB 0.821 41.665 40.800 0.073 0.000 1.202 224 D HN 0.122 nan 8.370 nan 0.000 0.426 225 E N 0.909 121.184 120.200 0.125 0.000 2.338 225 E HA 0.175 4.539 4.350 0.024 0.000 0.272 225 E C -0.642 176.116 176.600 0.264 0.000 1.029 225 E CA -0.124 56.361 56.400 0.141 0.000 0.872 225 E CB 1.427 31.174 29.700 0.078 0.000 1.015 225 E HN 0.372 nan 8.360 nan 0.000 0.417 226 W N 3.155 124.451 121.300 -0.005 0.000 3.423 226 W HA 0.107 4.781 4.660 0.024 0.000 0.330 226 W C -1.479 175.035 176.519 -0.008 0.000 1.102 226 W CA -0.528 56.812 57.345 -0.009 0.000 1.261 226 W CB 1.587 31.042 29.460 -0.009 0.000 1.283 226 W HN 0.444 nan 8.180 nan 0.000 0.447 227 T N 2.399 116.690 114.554 -0.439 0.000 3.209 227 T HA 0.427 4.791 4.350 0.024 0.000 0.366 227 T C -0.640 173.768 174.700 -0.486 0.000 1.293 227 T CA -0.504 61.408 62.100 -0.313 0.000 1.417 227 T CB 1.382 70.155 68.868 -0.158 0.000 1.013 227 T HN 0.321 nan 8.240 nan 0.000 0.572 228 Q N 1.347 120.829 119.800 -0.530 0.000 2.421 228 Q HA 0.342 4.696 4.340 0.024 0.000 0.280 228 Q C -0.202 175.785 176.000 -0.022 0.000 1.085 228 Q CA -0.667 54.934 55.803 -0.337 0.000 0.807 228 Q CB 2.606 31.025 28.738 -0.532 0.000 1.405 228 Q HN 0.325 nan 8.270 nan 0.000 0.419 229 D N 0.891 121.294 120.400 0.005 0.000 2.106 229 D HA -0.181 4.473 4.640 0.024 0.000 0.191 229 D C 0.382 176.760 176.300 0.129 0.000 0.997 229 D CA 1.476 55.512 54.000 0.059 0.000 0.834 229 D CB 0.018 40.843 40.800 0.042 0.000 0.956 229 D HN 0.427 nan 8.370 nan 0.000 0.448 230 R N 0.825 121.428 120.500 0.171 0.000 2.811 230 R HA 0.381 4.735 4.340 0.024 0.000 0.265 230 R C 0.067 176.555 176.300 0.313 0.000 1.026 230 R CA -0.261 55.974 56.100 0.225 0.000 1.142 230 R CB 0.236 30.691 30.300 0.259 0.000 1.027 230 R HN -0.012 nan 8.270 nan 0.000 0.465 231 A N 1.758 124.685 122.820 0.177 0.000 2.386 231 A HA 0.120 4.454 4.320 0.024 0.000 0.248 231 A C -0.029 177.479 177.584 -0.127 0.000 1.082 231 A CA -0.521 51.564 52.037 0.081 0.000 0.789 231 A CB 0.256 19.264 19.000 0.014 0.000 1.025 231 A HN 0.766 nan 8.150 nan 0.000 0.490 232 K N 2.137 122.317 120.400 -0.367 0.000 2.453 232 K HA 0.088 4.422 4.320 0.024 0.000 0.280 232 K C -2.020 174.218 176.600 -0.604 0.000 1.045 232 K CA -0.972 54.767 56.287 -0.914 0.000 1.059 232 K CB 0.340 32.518 32.500 -0.537 0.000 0.901 232 K HN 0.390 nan 8.250 nan 0.000 0.475 233 P HA -0.007 nan 4.420 nan 0.000 0.226 233 P C -0.097 177.138 177.300 -0.108 0.000 1.783 233 P CA -0.294 62.630 63.100 -0.293 0.000 0.980 233 P CB -0.324 31.214 31.700 -0.269 0.000 1.967 234 V N -0.710 119.132 119.914 -0.121 0.000 3.546 234 V HA 0.267 4.401 4.120 0.024 0.000 0.296 234 V C 0.698 176.789 176.094 -0.005 0.000 1.082 234 V CA -0.220 62.034 62.300 -0.077 0.000 1.086 234 V CB -0.737 31.033 31.823 -0.089 0.000 1.174 234 V HN 0.137 nan 8.190 nan 0.000 0.464 235 T N 3.661 118.168 114.554 -0.077 0.000 2.799 235 T HA 0.433 4.798 4.350 0.024 0.000 0.296 235 T C -0.068 174.577 174.700 -0.090 0.000 0.947 235 T CA 0.155 62.173 62.100 -0.138 0.000 1.141 235 T CB -0.342 68.437 68.868 -0.149 0.000 0.891 235 T HN 1.016 nan 8.240 nan 0.000 0.533 236 Q N 2.328 122.086 119.800 -0.070 0.000 2.575 236 Q HA 0.565 4.919 4.340 0.024 0.000 0.290 236 Q C -1.830 174.125 176.000 -0.076 0.000 0.963 236 Q CA -1.065 54.706 55.803 -0.053 0.000 0.783 236 Q CB 1.012 29.749 28.738 -0.002 0.000 1.467 236 Q HN 0.409 nan 8.270 nan 0.000 0.402 237 I N 1.395 121.910 120.570 -0.092 0.000 2.336 237 I HA 0.373 4.558 4.170 0.024 0.000 0.292 237 I C -0.759 175.305 176.117 -0.087 0.000 0.991 237 I CA -0.586 60.654 61.300 -0.101 0.000 1.227 237 I CB 1.912 39.837 38.000 -0.124 0.000 1.366 237 I HN 0.442 nan 8.210 nan 0.000 0.466 238 V N 5.391 125.251 119.914 -0.091 0.000 2.417 238 V HA 0.560 4.694 4.120 0.024 0.000 0.291 238 V C -0.029 176.006 176.094 -0.099 0.000 1.024 238 V CA -0.375 61.871 62.300 -0.090 0.000 0.861 238 V CB 1.442 33.206 31.823 -0.098 0.000 0.985 238 V HN 0.775 nan 8.190 nan 0.000 0.436 239 S N 2.389 118.036 115.700 -0.089 0.000 2.638 239 S HA 0.950 5.434 4.470 0.024 0.000 0.302 239 S C -0.332 174.224 174.600 -0.073 0.000 1.096 239 S CA -0.449 57.694 58.200 -0.094 0.000 0.953 239 S CB 2.056 65.196 63.200 -0.099 0.000 1.107 239 S HN 1.142 nan 8.310 nan 0.000 0.503 240 A N 1.649 124.421 122.820 -0.081 0.000 2.455 240 A HA 0.729 5.063 4.320 0.024 0.000 0.300 240 A C -0.950 176.608 177.584 -0.043 0.000 1.040 240 A CA -0.816 51.189 52.037 -0.053 0.000 0.697 240 A CB 1.207 20.172 19.000 -0.059 0.000 1.265 240 A HN 0.830 nan 8.150 nan 0.000 0.407 241 E N 0.952 121.144 120.200 -0.013 0.000 2.299 241 E HA 0.861 5.225 4.350 0.024 0.000 0.265 241 E C -0.616 175.998 176.600 0.023 0.000 0.911 241 E CA -0.982 55.389 56.400 -0.049 0.000 0.789 241 E CB 2.309 31.974 29.700 -0.057 0.000 1.246 241 E HN 1.330 nan 8.360 nan 0.000 0.427 242 A N 1.488 124.310 122.820 0.003 0.000 2.547 242 A HA 0.513 4.847 4.320 0.024 0.000 0.297 242 A C -2.059 175.628 177.584 0.172 0.000 1.056 242 A CA -0.877 51.274 52.037 0.189 0.000 0.688 242 A CB 0.667 19.860 19.000 0.322 0.000 1.282 242 A HN 0.627 nan 8.150 nan 0.000 0.400 243 W N 1.175 122.638 121.300 0.270 0.000 2.448 243 W HA 0.550 5.223 4.660 0.020 0.000 0.339 243 W C 1.003 177.465 176.519 -0.095 0.000 1.124 243 W CA 0.461 57.913 57.345 0.179 0.000 1.262 243 W CB 1.447 30.960 29.460 0.088 0.000 1.251 243 W HN 1.035 nan 8.180 nan 0.000 0.597 244 G N 1.444 110.273 108.800 0.049 0.000 2.636 244 G HA2 0.465 4.439 3.960 0.024 0.000 0.246 244 G HA3 0.465 4.439 3.960 0.024 0.000 0.246 244 G C -0.738 173.820 174.900 -0.570 0.000 1.216 244 G CA -0.652 44.043 45.100 -0.675 0.000 0.854 244 G HN 0.465 nan 8.290 nan 0.000 0.572 245 R N 0.150 120.164 120.500 -0.809 0.000 2.538 245 R HA 0.461 4.815 4.340 0.024 0.000 0.292 245 R C 0.628 176.785 176.300 -0.239 0.000 1.008 245 R CA -0.377 55.497 56.100 -0.376 0.000 0.896 245 R CB 2.039 32.203 30.300 -0.227 0.000 1.187 245 R HN 0.552 nan 8.270 nan 0.000 0.440 246 A N 2.205 124.947 122.820 -0.131 0.000 1.887 246 A HA 0.133 4.467 4.320 0.024 0.000 0.212 246 A C 0.029 177.596 177.584 -0.029 0.000 1.198 246 A CA 1.022 53.017 52.037 -0.070 0.000 0.628 246 A CB 0.006 18.970 19.000 -0.061 0.000 0.847 246 A HN 0.833 nan 8.150 nan 0.000 0.449 247 D N 0.000 120.384 120.400 -0.026 0.000 6.856 247 D HA 0.000 4.654 4.640 0.024 0.000 0.175 247 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 247 D CB 0.000 40.814 40.800 0.024 0.000 0.688 247 D HN 0.000 nan 8.370 nan 0.000 0.683