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 2jiy_1_M DATA FIRST_RESID 2 DATA SEQUENCE EYQNIFSQVQ VRGPADLGMT EDVNLANRSG VGPFSTLLGW FGNAQLGPIY DATA SEQUENCE LGSLGVLSLF SGLMWFFTIG IWFWYQAGWN PAVFLRDLFF FSLEPPAPEY DATA SEQUENCE GLSFAAPLKE GGLWLIASFF MFVAVWSWWG RTYLRAQALG MGKHTAWWFL DATA SEQUENCE SAIWLWMVLG FIRPILMGSW SEAVPYGIFS HLDWTNNFSL VHGNLFYNPF DATA SEQUENCE HGLSIAFLYG SALLFAMHGA TILAVSRFGG ERELEQIADR GTAAERAALF DATA SEQUENCE WRWTMGFNAT MEGIHRWAIW MAVLVTLTGG IGILLSGTVV DNWYVWGQNH DATA SEQUENCE G 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 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.651 176.600 0.085 0.000 1.382 2 E CA 0.000 56.429 56.400 0.049 0.000 0.976 2 E CB 0.000 29.726 29.700 0.044 0.000 0.812 3 Y N 3.057 123.349 120.300 -0.013 0.000 2.442 3 Y HA 0.171 4.726 4.550 0.009 0.000 0.330 3 Y C 0.851 176.736 175.900 -0.024 0.000 1.129 3 Y CA 0.457 58.551 58.100 -0.010 0.000 1.365 3 Y CB 1.048 39.502 38.460 -0.009 0.000 1.233 3 Y HN -0.023 nan 8.280 nan 0.000 0.529 4 Q N 3.591 122.973 119.800 -0.696 0.000 2.246 4 Q HA 0.029 4.374 4.340 0.009 0.000 0.222 4 Q C 0.292 175.873 176.000 -0.699 0.000 0.851 4 Q CA 0.270 55.754 55.803 -0.532 0.000 0.945 4 Q CB 0.048 28.614 28.738 -0.286 0.000 1.122 4 Q HN 0.891 nan 8.270 nan 0.000 0.508 5 N N 0.455 118.356 118.700 -1.333 0.000 2.747 5 N HA -0.165 4.581 4.740 0.009 0.000 0.249 5 N C 0.305 175.593 175.510 -0.370 0.000 1.107 5 N CA 0.321 52.943 53.050 -0.714 0.000 0.707 5 N CB -0.841 37.437 38.487 -0.349 0.000 1.054 5 N HN 0.167 nan 8.380 nan 0.000 0.555 6 I N -1.336 119.016 120.570 -0.363 0.000 2.494 6 I HA 0.094 4.269 4.170 0.009 0.000 0.250 6 I C 0.669 176.498 176.117 -0.481 0.000 1.112 6 I CA 1.064 62.121 61.300 -0.405 0.000 1.438 6 I CB -0.594 37.154 38.000 -0.419 0.000 1.111 6 I HN 0.042 nan 8.210 nan 0.000 0.431 7 F N 0.408 120.433 119.950 0.124 0.000 2.520 7 F HA 0.396 4.928 4.527 0.009 0.000 0.322 7 F C 0.899 176.895 175.800 0.326 0.000 1.103 7 F CA -0.878 57.274 58.000 0.253 0.000 0.926 7 F CB 1.195 40.325 39.000 0.217 0.000 1.154 7 F HN -0.317 nan 8.300 nan 0.000 0.453 8 S N 1.834 117.864 115.700 0.551 0.000 2.562 8 S HA 0.054 4.529 4.470 0.009 0.000 0.281 8 S C 0.930 175.826 174.600 0.493 0.000 1.333 8 S CA -0.429 58.042 58.200 0.453 0.000 1.052 8 S CB 0.992 64.385 63.200 0.321 0.000 0.884 8 S HN 0.711 nan 8.310 nan 0.000 0.506 9 Q N 0.674 120.641 119.800 0.279 0.000 2.165 9 Q HA 0.172 4.517 4.340 0.009 0.000 0.197 9 Q C 0.287 176.437 176.000 0.251 0.000 0.952 9 Q CA 0.593 56.504 55.803 0.181 0.000 0.848 9 Q CB 0.260 28.938 28.738 -0.100 0.000 0.931 9 Q HN 0.455 nan 8.270 nan 0.000 0.470 10 V N 0.836 120.845 119.914 0.158 0.000 2.656 10 V HA 0.260 4.385 4.120 0.009 0.000 0.307 10 V C -1.602 174.508 176.094 0.026 0.000 1.051 10 V CA -0.652 61.708 62.300 0.101 0.000 0.893 10 V CB 2.041 33.884 31.823 0.033 0.000 0.999 10 V HN 0.135 nan 8.190 nan 0.000 0.426 11 Q N 3.936 123.688 119.800 -0.079 0.000 2.245 11 Q HA 0.699 5.044 4.340 0.009 0.000 0.256 11 Q C -0.893 175.047 176.000 -0.100 0.000 0.942 11 Q CA -0.689 55.026 55.803 -0.148 0.000 0.896 11 Q CB 2.368 30.904 28.738 -0.337 0.000 1.272 11 Q HN 0.790 nan 8.270 nan 0.000 0.442 12 V N -0.457 119.412 119.914 -0.074 0.000 2.715 12 V HA 0.763 4.888 4.120 0.009 0.000 0.310 12 V C -0.740 175.313 176.094 -0.069 0.000 1.054 12 V CA -1.041 61.220 62.300 -0.065 0.000 0.928 12 V CB 2.014 33.812 31.823 -0.043 0.000 1.007 12 V HN 0.793 nan 8.190 nan 0.000 0.437 13 R N 1.414 121.858 120.500 -0.093 0.000 2.628 13 R HA 0.779 5.124 4.340 0.009 0.000 0.288 13 R C -0.163 176.060 176.300 -0.128 0.000 0.980 13 R CA 0.096 56.118 56.100 -0.130 0.000 0.891 13 R CB 2.208 32.362 30.300 -0.244 0.000 1.188 13 R HN 1.208 nan 8.270 nan 0.000 0.450 14 G N 2.469 111.206 108.800 -0.106 0.000 3.211 14 G HA2 0.557 4.523 3.960 0.009 0.000 0.262 14 G HA3 0.557 4.523 3.960 0.009 0.000 0.262 14 G C -2.568 172.279 174.900 -0.088 0.000 1.352 14 G CA -1.136 43.915 45.100 -0.082 0.000 1.004 14 G HN 0.451 nan 8.290 nan 0.000 0.559 15 P HA 0.394 nan 4.420 nan 0.000 0.267 15 P C 0.152 177.493 177.300 0.069 0.000 1.200 15 P CA -0.034 63.058 63.100 -0.012 0.000 0.772 15 P CB 0.597 32.296 31.700 -0.002 0.000 0.855 16 A N 2.221 125.128 122.820 0.144 0.000 2.584 16 A HA -0.007 4.319 4.320 0.009 0.000 0.239 16 A C 0.463 178.124 177.584 0.128 0.000 1.043 16 A CA 0.288 52.483 52.037 0.262 0.000 0.756 16 A CB -0.393 18.753 19.000 0.242 0.000 0.963 16 A HN 0.523 nan 8.150 nan 0.000 0.511 17 D N 2.620 123.084 120.400 0.107 0.000 2.365 17 D HA 0.295 4.940 4.640 0.009 0.000 0.237 17 D C 0.777 177.090 176.300 0.021 0.000 1.190 17 D CA -0.062 53.966 54.000 0.047 0.000 0.867 17 D CB 0.581 41.401 40.800 0.033 0.000 1.050 17 D HN 0.474 nan 8.370 nan 0.000 0.491 18 L N 2.836 124.070 121.223 0.018 0.000 2.558 18 L HA 0.245 4.590 4.340 0.009 0.000 0.225 18 L C 1.431 178.301 176.870 0.000 0.000 1.128 18 L CA 0.255 55.101 54.840 0.009 0.000 0.868 18 L CB -0.511 41.555 42.059 0.013 0.000 1.006 18 L HN 0.612 nan 8.230 nan 0.000 0.454 19 G N -0.099 108.699 108.800 -0.004 0.000 2.655 19 G HA2 -0.160 3.806 3.960 0.009 0.000 0.680 19 G HA3 -0.160 3.806 3.960 0.009 0.000 0.680 19 G C -0.470 174.421 174.900 -0.016 0.000 1.302 19 G CA -0.934 44.158 45.100 -0.014 0.000 0.872 19 G HN -0.166 nan 8.290 nan 0.000 0.540 20 M N 0.346 119.930 119.600 -0.026 0.000 2.241 20 M HA 0.339 4.824 4.480 0.009 0.000 0.335 20 M C 1.626 177.909 176.300 -0.029 0.000 1.122 20 M CA 0.462 55.744 55.300 -0.030 0.000 1.164 20 M CB 0.495 33.070 32.600 -0.041 0.000 1.459 20 M HN 0.718 nan 8.290 nan 0.000 0.461 21 T N -0.010 114.529 114.554 -0.025 0.000 2.990 21 T HA 0.039 4.394 4.350 0.009 0.000 0.237 21 T C 0.682 175.362 174.700 -0.033 0.000 1.009 21 T CA 0.069 62.157 62.100 -0.021 0.000 1.195 21 T CB 0.216 69.077 68.868 -0.012 0.000 0.885 21 T HN 0.610 nan 8.240 nan 0.000 0.424 22 E N 1.227 121.407 120.200 -0.034 0.000 3.425 22 E HA -0.223 4.132 4.350 0.009 0.000 0.407 22 E C 0.057 176.635 176.600 -0.037 0.000 1.572 22 E CA 1.719 58.095 56.400 -0.040 0.000 1.556 22 E CB -1.243 28.423 29.700 -0.057 0.000 1.586 22 E HN 0.396 nan 8.360 nan 0.000 0.451 23 D N 1.018 121.388 120.400 -0.050 0.000 2.388 23 D HA 0.199 4.844 4.640 0.009 0.000 0.221 23 D C -0.158 176.116 176.300 -0.043 0.000 1.133 23 D CA 0.064 54.039 54.000 -0.042 0.000 0.831 23 D CB 0.228 41.000 40.800 -0.046 0.000 0.962 23 D HN -0.049 nan 8.370 nan 0.000 0.502 24 V N 1.957 121.843 119.914 -0.047 0.000 2.637 24 V HA -0.030 4.095 4.120 0.009 0.000 0.296 24 V C 0.910 177.034 176.094 0.051 0.000 1.046 24 V CA -0.556 61.721 62.300 -0.038 0.000 1.066 24 V CB 0.876 32.670 31.823 -0.049 0.000 0.968 24 V HN 0.086 nan 8.190 nan 0.000 0.483 25 N N 4.575 123.356 118.700 0.134 0.000 2.421 25 N HA 0.119 4.864 4.740 0.009 0.000 0.260 25 N C 0.818 176.426 175.510 0.163 0.000 1.173 25 N CA 0.181 53.319 53.050 0.146 0.000 0.960 25 N CB 0.353 38.938 38.487 0.162 0.000 1.273 25 N HN 0.665 nan 8.380 nan 0.000 0.497 26 L N 2.283 123.554 121.223 0.081 0.000 2.265 26 L HA -0.158 4.188 4.340 0.009 0.000 0.215 26 L C 2.140 179.010 176.870 -0.000 0.000 1.117 26 L CA 1.081 55.951 54.840 0.050 0.000 0.782 26 L CB -0.387 41.687 42.059 0.026 0.000 0.914 26 L HN 0.554 nan 8.230 nan 0.000 0.441 27 A N 0.098 122.908 122.820 -0.016 0.000 2.019 27 A HA -0.170 4.156 4.320 0.009 0.000 0.219 27 A C 1.810 179.323 177.584 -0.118 0.000 1.164 27 A CA 1.531 53.537 52.037 -0.051 0.000 0.644 27 A CB -0.389 18.587 19.000 -0.040 0.000 0.805 27 A HN 0.430 nan 8.150 nan 0.000 0.449 28 N N -0.305 118.272 118.700 -0.205 0.000 2.398 28 N HA 0.045 4.791 4.740 0.009 0.000 0.188 28 N C 0.235 175.437 175.510 -0.513 0.000 1.122 28 N CA 0.224 52.995 53.050 -0.466 0.000 0.866 28 N CB 0.020 37.977 38.487 -0.884 0.000 0.970 28 N HN 0.441 nan 8.380 nan 0.000 0.462 29 R N 0.810 121.173 120.500 -0.228 0.000 2.349 29 R HA 0.209 4.554 4.340 0.009 0.000 0.299 29 R C 0.712 176.963 176.300 -0.082 0.000 1.027 29 R CA -0.245 55.792 56.100 -0.104 0.000 0.958 29 R CB 1.017 31.324 30.300 0.012 0.000 1.047 29 R HN 0.126 nan 8.270 nan 0.000 0.468 30 S N 1.375 117.037 115.700 -0.063 0.000 2.617 30 S HA 0.247 4.722 4.470 0.009 0.000 0.255 30 S C 0.710 175.295 174.600 -0.025 0.000 1.318 30 S CA -0.581 57.593 58.200 -0.043 0.000 0.978 30 S CB 0.774 63.954 63.200 -0.033 0.000 0.961 30 S HN 0.649 nan 8.310 nan 0.000 0.582 31 G N -0.887 107.902 108.800 -0.018 0.000 2.599 31 G HA2 0.432 4.397 3.960 0.009 0.000 0.264 31 G HA3 0.432 4.397 3.960 0.009 0.000 0.264 31 G C -0.185 174.708 174.900 -0.011 0.000 1.200 31 G CA -0.555 44.540 45.100 -0.008 0.000 0.896 31 G HN 0.959 nan 8.290 nan 0.000 0.536 32 V N 0.646 120.557 119.914 -0.005 0.000 2.872 32 V HA 0.470 4.596 4.120 0.009 0.000 0.307 32 V C 1.291 177.367 176.094 -0.030 0.000 1.072 32 V CA 0.820 63.104 62.300 -0.026 0.000 1.148 32 V CB 0.685 32.510 31.823 0.003 0.000 0.954 32 V HN 0.979 nan 8.190 nan 0.000 0.490 33 G N 6.259 115.013 108.800 -0.077 0.000 2.509 33 G HA2 0.566 4.531 3.960 0.009 0.000 0.269 33 G HA3 0.566 4.531 3.960 0.009 0.000 0.269 33 G C -2.537 172.323 174.900 -0.068 0.000 1.416 33 G CA -0.736 44.326 45.100 -0.064 0.000 1.052 33 G HN 0.729 nan 8.290 nan 0.000 0.542 34 P HA 0.387 nan 4.420 nan 0.000 0.277 34 P C -1.292 175.968 177.300 -0.066 0.000 1.271 34 P CA -0.483 62.641 63.100 0.039 0.000 0.795 34 P CB 0.840 32.569 31.700 0.049 0.000 1.101 35 F N -0.460 119.480 119.950 -0.017 0.000 2.415 35 F HA 0.312 4.845 4.527 0.009 0.000 0.348 35 F C 1.175 176.958 175.800 -0.029 0.000 1.119 35 F CA -0.216 57.768 58.000 -0.027 0.000 1.069 35 F CB 1.362 40.339 39.000 -0.038 0.000 1.124 35 F HN 0.089 nan 8.300 nan 0.000 0.472 36 S N 2.283 118.032 115.700 0.082 0.000 2.423 36 S HA 0.192 4.667 4.470 0.009 0.000 0.317 36 S C 0.996 175.606 174.600 0.017 0.000 1.065 36 S CA -0.511 57.719 58.200 0.049 0.000 1.111 36 S CB 0.658 63.874 63.200 0.027 0.000 0.968 36 S HN 0.748 nan 8.310 nan 0.000 0.474 37 T N 5.700 120.246 114.554 -0.012 0.000 2.759 37 T HA -0.128 4.227 4.350 0.009 0.000 0.269 37 T C 1.726 176.319 174.700 -0.179 0.000 1.042 37 T CA 1.537 63.547 62.100 -0.150 0.000 1.140 37 T CB -0.342 68.462 68.868 -0.108 0.000 0.864 37 T HN 0.575 nan 8.240 nan 0.000 0.455 38 L N 1.089 122.337 121.223 0.042 0.000 1.970 38 L HA -0.056 4.289 4.340 0.009 0.000 0.212 38 L C 2.237 179.223 176.870 0.194 0.000 1.071 38 L CA 1.723 56.681 54.840 0.197 0.000 0.751 38 L CB -0.759 41.391 42.059 0.151 0.000 0.889 38 L HN 0.247 nan 8.230 nan 0.000 0.432 39 L N -0.653 120.638 121.223 0.114 0.000 2.043 39 L HA -0.199 4.146 4.340 0.009 0.000 0.212 39 L C 2.465 179.423 176.870 0.146 0.000 1.075 39 L CA 1.358 56.281 54.840 0.138 0.000 0.752 39 L CB -1.431 40.675 42.059 0.079 0.000 0.891 39 L HN 0.537 nan 8.230 nan 0.000 0.432 40 G N -1.060 107.741 108.800 0.001 0.000 2.501 40 G HA2 -0.254 3.712 3.960 0.009 0.000 0.220 40 G HA3 -0.254 3.712 3.960 0.009 0.000 0.220 40 G C 1.112 175.974 174.900 -0.064 0.000 1.114 40 G CA 0.163 45.212 45.100 -0.085 0.000 0.757 40 G HN 0.448 nan 8.290 nan 0.000 0.559 41 W N -1.381 120.037 121.300 0.197 0.000 2.465 41 W HA 0.211 4.877 4.660 0.009 0.000 0.268 41 W C 1.889 178.668 176.519 0.434 0.000 1.242 41 W CA -0.125 57.381 57.345 0.269 0.000 1.248 41 W CB -0.077 29.511 29.460 0.213 0.000 1.118 41 W HN 0.189 nan 8.180 nan 0.000 0.587 42 F N -1.356 118.822 119.950 0.381 0.000 2.581 42 F HA 0.432 4.964 4.527 0.009 0.000 0.278 42 F C 1.420 177.282 175.800 0.103 0.000 1.000 42 F CA 1.089 59.241 58.000 0.254 0.000 1.230 42 F CB -0.255 38.904 39.000 0.264 0.000 1.008 42 F HN -0.256 nan 8.300 nan 0.000 0.695 43 G N -0.319 108.591 108.800 0.183 0.000 3.183 43 G HA2 0.224 4.190 3.960 0.009 0.000 0.247 43 G HA3 0.224 4.190 3.960 0.009 0.000 0.247 43 G C -1.284 173.640 174.900 0.040 0.000 1.211 43 G CA -1.013 44.110 45.100 0.037 0.000 0.835 43 G HN 0.086 nan 8.290 nan 0.000 0.604 44 N N 0.225 118.935 118.700 0.017 0.000 2.518 44 N HA 0.385 5.130 4.740 0.009 0.000 0.266 44 N C 1.096 176.608 175.510 0.004 0.000 1.196 44 N CA 0.218 53.270 53.050 0.004 0.000 0.947 44 N CB 1.765 40.241 38.487 -0.018 0.000 1.098 44 N HN 0.500 nan 8.380 nan 0.000 0.450 45 A N 2.071 124.900 122.820 0.016 0.000 2.021 45 A HA -0.095 4.231 4.320 0.009 0.000 0.216 45 A C 0.969 178.488 177.584 -0.109 0.000 1.163 45 A CA 0.604 52.656 52.037 0.025 0.000 0.676 45 A CB -0.067 19.009 19.000 0.127 0.000 0.818 45 A HN 0.768 nan 8.150 nan 0.000 0.453 46 Q N 0.479 120.125 119.800 -0.257 0.000 2.297 46 Q HA 0.439 4.785 4.340 0.009 0.000 0.267 46 Q C -1.229 174.523 176.000 -0.413 0.000 1.006 46 Q CA -0.093 55.279 55.803 -0.717 0.000 0.896 46 Q CB 0.370 28.742 28.738 -0.611 0.000 1.186 46 Q HN 0.509 nan 8.270 nan 0.000 0.392 47 L N 3.898 124.862 121.223 -0.432 0.000 2.322 47 L HA 0.624 4.970 4.340 0.009 0.000 0.279 47 L C 0.673 177.419 176.870 -0.208 0.000 1.036 47 L CA -0.051 54.652 54.840 -0.229 0.000 0.807 47 L CB 1.478 43.446 42.059 -0.152 0.000 1.226 47 L HN 1.025 nan 8.230 nan 0.000 0.433 48 G N 3.350 112.075 108.800 -0.124 0.000 2.804 48 G HA2 -0.175 3.791 3.960 0.009 0.000 0.230 48 G HA3 -0.175 3.791 3.960 0.009 0.000 0.230 48 G C -2.915 171.930 174.900 -0.092 0.000 1.386 48 G CA -1.062 43.986 45.100 -0.086 0.000 0.875 48 G HN 0.436 nan 8.290 nan 0.000 0.557 49 P HA 0.592 nan 4.420 nan 0.000 0.274 49 P C 0.022 177.315 177.300 -0.011 0.000 1.256 49 P CA -0.575 62.508 63.100 -0.028 0.000 0.795 49 P CB 0.752 32.444 31.700 -0.012 0.000 1.038 50 I N 0.087 120.658 120.570 0.002 0.000 2.646 50 I HA 0.389 4.564 4.170 0.009 0.000 0.299 50 I C -1.134 175.011 176.117 0.047 0.000 1.036 50 I CA -1.325 59.992 61.300 0.028 0.000 1.074 50 I CB 1.496 39.512 38.000 0.027 0.000 1.258 50 I HN 0.219 nan 8.210 nan 0.000 0.430 51 Y N 7.036 127.302 120.300 -0.057 0.000 2.327 51 Y HA 0.569 5.124 4.550 0.009 0.000 0.336 51 Y C -1.301 174.560 175.900 -0.065 0.000 1.035 51 Y CA -0.321 57.739 58.100 -0.067 0.000 1.165 51 Y CB 1.057 39.460 38.460 -0.095 0.000 1.181 51 Y HN 0.445 nan 8.280 nan 0.000 0.494 52 L N 6.895 127.887 121.223 -0.385 0.000 2.490 52 L HA 0.477 4.823 4.340 0.009 0.000 0.256 52 L C 0.285 176.953 176.870 -0.337 0.000 1.089 52 L CA -0.043 54.667 54.840 -0.218 0.000 0.916 52 L CB 1.153 43.144 42.059 -0.112 0.000 1.188 52 L HN 0.839 nan 8.230 nan 0.000 0.476 53 G N -0.010 108.632 108.800 -0.264 0.000 2.531 53 G HA2 0.376 4.341 3.960 0.009 0.000 0.281 53 G HA3 0.376 4.341 3.960 0.009 0.000 0.281 53 G C 0.754 175.633 174.900 -0.034 0.000 1.382 53 G CA 0.030 45.047 45.100 -0.138 0.000 1.045 53 G HN 0.393 nan 8.290 nan 0.000 0.533 54 S N -0.753 114.944 115.700 -0.005 0.000 2.368 54 S HA -0.142 4.333 4.470 0.009 0.000 0.225 54 S C 2.294 176.913 174.600 0.031 0.000 1.030 54 S CA 1.005 59.209 58.200 0.006 0.000 0.999 54 S CB -0.341 62.865 63.200 0.009 0.000 0.844 54 S HN 0.325 nan 8.310 nan 0.000 0.459 55 L N 1.883 123.130 121.223 0.040 0.000 2.093 55 L HA 0.073 4.418 4.340 0.009 0.000 0.208 55 L C 2.249 179.151 176.870 0.053 0.000 1.085 55 L CA 1.643 56.511 54.840 0.047 0.000 0.755 55 L CB -1.175 40.900 42.059 0.028 0.000 0.904 55 L HN 0.325 nan 8.230 nan 0.000 0.435 56 G N -1.537 107.284 108.800 0.034 0.000 2.402 56 G HA2 -0.157 3.808 3.960 0.009 0.000 0.216 56 G HA3 -0.157 3.808 3.960 0.009 0.000 0.216 56 G C 1.537 176.503 174.900 0.110 0.000 1.162 56 G CA 0.870 45.998 45.100 0.046 0.000 0.777 56 G HN 0.280 nan 8.290 nan 0.000 0.539 57 V N 0.802 120.760 119.914 0.073 0.000 2.343 57 V HA -0.151 3.974 4.120 0.009 0.000 0.247 57 V C 2.692 178.867 176.094 0.137 0.000 1.051 57 V CA 1.661 64.012 62.300 0.085 0.000 1.036 57 V CB -0.480 31.361 31.823 0.029 0.000 0.654 57 V HN 0.356 nan 8.190 nan 0.000 0.451 58 L N 0.111 121.407 121.223 0.121 0.000 1.989 58 L HA -0.184 4.162 4.340 0.009 0.000 0.211 58 L C 2.643 179.647 176.870 0.224 0.000 1.071 58 L CA 2.564 57.505 54.840 0.169 0.000 0.749 58 L CB -0.956 41.183 42.059 0.133 0.000 0.890 58 L HN 0.318 nan 8.230 nan 0.000 0.431 59 S N -1.152 114.671 115.700 0.205 0.000 2.359 59 S HA -0.203 4.272 4.470 0.009 0.000 0.224 59 S C 1.993 176.706 174.600 0.188 0.000 1.035 59 S CA 1.741 60.083 58.200 0.236 0.000 1.018 59 S CB -0.556 62.880 63.200 0.393 0.000 0.876 59 S HN 0.423 nan 8.310 nan 0.000 0.448 60 L N 0.617 121.962 121.223 0.204 0.000 2.017 60 L HA 0.054 4.400 4.340 0.009 0.000 0.208 60 L C 2.008 178.920 176.870 0.069 0.000 1.073 60 L CA 1.946 56.854 54.840 0.113 0.000 0.745 60 L CB -0.989 41.148 42.059 0.130 0.000 0.894 60 L HN 0.471 nan 8.230 nan 0.000 0.432 61 F N -0.333 119.619 119.950 0.003 0.000 2.126 61 F HA -0.263 4.269 4.527 0.008 0.000 0.299 61 F C 2.454 178.204 175.800 -0.084 0.000 1.096 61 F CA 1.993 59.977 58.000 -0.026 0.000 1.255 61 F CB -0.488 38.522 39.000 0.016 0.000 0.997 61 F HN 0.115 nan 8.300 nan 0.000 0.479 62 S N 0.259 115.967 115.700 0.013 0.000 2.368 62 S HA -0.078 4.398 4.470 0.009 0.000 0.224 62 S C 2.360 176.863 174.600 -0.162 0.000 1.029 62 S CA 1.027 59.188 58.200 -0.065 0.000 0.988 62 S CB -1.322 61.978 63.200 0.167 0.000 0.838 62 S HN 0.612 nan 8.310 nan 0.000 0.462 63 G N 2.183 110.914 108.800 -0.114 0.000 2.476 63 G HA2 -0.189 3.776 3.960 0.009 0.000 0.218 63 G HA3 -0.189 3.776 3.960 0.009 0.000 0.218 63 G C 1.333 176.148 174.900 -0.141 0.000 1.164 63 G CA 0.844 45.882 45.100 -0.104 0.000 0.768 63 G HN 0.435 nan 8.290 nan 0.000 0.560 64 L N -0.171 120.827 121.223 -0.375 0.000 2.083 64 L HA -0.058 4.288 4.340 0.009 0.000 0.209 64 L C 3.089 179.413 176.870 -0.910 0.000 1.083 64 L CA 0.675 55.067 54.840 -0.747 0.000 0.752 64 L CB -0.333 41.292 42.059 -0.723 0.000 0.899 64 L HN 0.165 nan 8.230 nan 0.000 0.433 65 M N -1.339 117.792 119.600 -0.782 0.000 2.175 65 M HA -0.217 4.268 4.480 0.009 0.000 0.264 65 M C 2.117 178.114 176.300 -0.504 0.000 1.063 65 M CA 1.601 56.375 55.300 -0.876 0.000 1.119 65 M CB -1.077 30.434 32.600 -1.815 0.000 1.377 65 M HN 0.451 nan 8.290 nan 0.000 0.415 66 W N 0.629 121.669 121.300 -0.434 0.000 2.354 66 W HA -0.268 4.397 4.660 0.008 0.000 0.315 66 W C 2.164 178.558 176.519 -0.209 0.000 1.206 66 W CA 1.486 58.718 57.345 -0.187 0.000 1.290 66 W CB -0.918 28.442 29.460 -0.167 0.000 1.152 66 W HN 0.142 nan 8.180 nan 0.000 0.489 67 F N 0.136 119.757 119.950 -0.549 0.000 2.102 67 F HA -0.177 4.355 4.527 0.009 0.000 0.298 67 F C 2.118 177.659 175.800 -0.432 0.000 1.105 67 F CA 2.056 59.609 58.000 -0.746 0.000 1.239 67 F CB -0.987 37.691 39.000 -0.537 0.000 0.991 67 F HN -0.174 nan 8.300 nan 0.000 0.474 68 F N 0.103 119.943 119.950 -0.182 0.000 2.234 68 F HA -0.125 4.407 4.527 0.008 0.000 0.299 68 F C 2.582 178.267 175.800 -0.192 0.000 1.087 68 F CA 1.462 59.358 58.000 -0.173 0.000 1.340 68 F CB -1.863 37.070 39.000 -0.111 0.000 1.031 68 F HN -0.113 nan 8.300 nan 0.000 0.500 69 T N 0.749 115.280 114.554 -0.039 0.000 2.777 69 T HA -0.130 4.225 4.350 0.009 0.000 0.266 69 T C 2.254 176.904 174.700 -0.084 0.000 1.040 69 T CA 1.349 63.446 62.100 -0.005 0.000 1.141 69 T CB -0.452 68.454 68.868 0.063 0.000 0.868 69 T HN 0.163 nan 8.240 nan 0.000 0.444 70 I N 1.223 121.577 120.570 -0.360 0.000 2.226 70 I HA -0.093 4.082 4.170 0.009 0.000 0.245 70 I C 2.909 178.682 176.117 -0.573 0.000 1.100 70 I CA 1.288 62.279 61.300 -0.514 0.000 1.374 70 I CB -0.755 36.685 38.000 -0.934 0.000 1.057 70 I HN 0.303 nan 8.210 nan 0.000 0.413 71 G N 1.389 109.889 108.800 -0.500 0.000 2.421 71 G HA2 -0.200 3.765 3.960 0.009 0.000 0.216 71 G HA3 -0.200 3.765 3.960 0.009 0.000 0.216 71 G C 1.630 176.647 174.900 0.195 0.000 1.171 71 G CA 0.481 45.458 45.100 -0.204 0.000 0.775 71 G HN 0.197 nan 8.290 nan 0.000 0.543 72 I N -0.174 120.517 120.570 0.203 0.000 2.226 72 I HA -0.146 4.030 4.170 0.009 0.000 0.245 72 I C 2.438 178.728 176.117 0.289 0.000 1.100 72 I CA 0.931 62.408 61.300 0.295 0.000 1.374 72 I CB -0.886 37.260 38.000 0.243 0.000 1.057 72 I HN 0.471 nan 8.210 nan 0.000 0.413 73 W N 1.473 122.833 121.300 0.101 0.000 2.358 73 W HA -0.292 4.372 4.660 0.008 0.000 0.303 73 W C 2.404 179.035 176.519 0.188 0.000 1.208 73 W CA 1.198 58.640 57.345 0.161 0.000 1.274 73 W CB -0.353 29.223 29.460 0.193 0.000 1.138 73 W HN 0.017 nan 8.180 nan 0.000 0.515 74 F N -0.292 119.563 119.950 -0.158 0.000 2.069 74 F HA -0.169 4.363 4.527 0.008 0.000 0.298 74 F C 2.136 177.420 175.800 -0.860 0.000 1.113 74 F CA 1.274 58.883 58.000 -0.652 0.000 1.214 74 F CB -1.775 36.984 39.000 -0.403 0.000 0.978 74 F HN -0.082 nan 8.300 nan 0.000 0.474 75 W N -1.125 120.051 121.300 -0.207 0.000 2.321 75 W HA -0.287 4.378 4.660 0.008 0.000 0.306 75 W C 2.650 178.540 176.519 -1.048 0.000 1.217 75 W CA 1.868 58.953 57.345 -0.433 0.000 1.257 75 W CB -1.206 28.079 29.460 -0.292 0.000 1.145 75 W HN 0.086 nan 8.180 nan 0.000 0.509 76 Y N 1.229 120.881 120.300 -1.080 0.000 2.128 76 Y HA -0.340 4.215 4.550 0.009 0.000 0.284 76 Y C 2.383 177.717 175.900 -0.942 0.000 1.154 76 Y CA 2.343 59.676 58.100 -1.278 0.000 1.149 76 Y CB -0.912 37.077 38.460 -0.785 0.000 0.976 76 Y HN 0.032 nan 8.280 nan 0.000 0.505 77 Q N -0.444 118.740 119.800 -1.027 0.000 2.170 77 Q HA -0.149 4.197 4.340 0.009 0.000 0.203 77 Q C 2.200 177.849 176.000 -0.585 0.000 0.976 77 Q CA 1.164 56.447 55.803 -0.868 0.000 0.858 77 Q CB -0.322 27.978 28.738 -0.731 0.000 0.907 77 Q HN 0.613 nan 8.270 nan 0.000 0.433 78 A N 0.101 122.518 122.820 -0.671 0.000 2.235 78 A HA 0.211 4.536 4.320 0.009 0.000 0.208 78 A C 1.423 178.875 177.584 -0.220 0.000 1.172 78 A CA 0.738 52.617 52.037 -0.263 0.000 0.786 78 A CB -0.457 18.438 19.000 -0.176 0.000 0.804 78 A HN 0.452 nan 8.150 nan 0.000 0.479 79 G N -2.408 106.128 108.800 -0.440 0.000 2.249 79 G HA2 -0.309 3.656 3.960 0.009 0.000 0.273 79 G HA3 -0.309 3.656 3.960 0.009 0.000 0.273 79 G C 0.293 175.182 174.900 -0.017 0.000 1.036 79 G CA 0.278 45.204 45.100 -0.289 0.000 0.824 79 G HN 1.144 nan 8.290 nan 0.000 0.504 80 W N -2.410 118.963 121.300 0.123 0.000 3.207 80 W HA -0.207 4.458 4.660 0.008 0.000 0.291 80 W C 0.674 177.359 176.519 0.277 0.000 1.105 80 W CA 0.323 57.809 57.345 0.236 0.000 0.612 80 W CB -1.910 27.596 29.460 0.077 0.000 2.140 80 W HN 0.613 nan 8.180 nan 0.000 1.420 81 N N 1.587 120.498 118.700 0.352 0.000 2.422 81 N HA 0.193 4.938 4.740 0.009 0.000 0.266 81 N C -0.692 175.010 175.510 0.321 0.000 1.007 81 N CA -1.746 51.473 53.050 0.280 0.000 0.941 81 N CB 1.516 40.095 38.487 0.153 0.000 1.115 81 N HN -0.186 nan 8.380 nan 0.000 0.492 82 P HA -0.046 nan 4.420 nan 0.000 0.221 82 P C 0.827 178.253 177.300 0.211 0.000 1.150 82 P CA 0.758 64.066 63.100 0.346 0.000 0.800 82 P CB 0.303 32.224 31.700 0.368 0.000 0.787 83 A N 0.158 123.071 122.820 0.155 0.000 1.898 83 A HA -0.088 4.237 4.320 0.009 0.000 0.216 83 A C 2.417 180.039 177.584 0.064 0.000 1.181 83 A CA 1.688 53.781 52.037 0.094 0.000 0.620 83 A CB -1.584 17.455 19.000 0.065 0.000 0.819 83 A HN 0.055 nan 8.150 nan 0.000 0.442 84 V N -1.173 118.786 119.914 0.075 0.000 2.427 84 V HA -0.212 3.914 4.120 0.009 0.000 0.248 84 V C 2.258 178.412 176.094 0.099 0.000 1.051 84 V CA 1.901 64.230 62.300 0.048 0.000 1.048 84 V CB -1.008 30.847 31.823 0.054 0.000 0.666 84 V HN 0.626 nan 8.190 nan 0.000 0.456 85 F N 0.468 120.379 119.950 -0.065 0.000 2.126 85 F HA -0.206 4.326 4.527 0.008 0.000 0.299 85 F C 1.999 177.757 175.800 -0.071 0.000 1.096 85 F CA 1.819 59.722 58.000 -0.162 0.000 1.255 85 F CB -0.125 38.401 39.000 -0.791 0.000 0.997 85 F HN 0.035 nan 8.300 nan 0.000 0.479 86 L N -0.290 120.940 121.223 0.012 0.000 2.131 86 L HA -0.106 4.239 4.340 0.009 0.000 0.206 86 L C 2.703 179.466 176.870 -0.178 0.000 1.087 86 L CA 1.150 55.939 54.840 -0.085 0.000 0.767 86 L CB -0.664 41.419 42.059 0.041 0.000 0.917 86 L HN 0.067 nan 8.230 nan 0.000 0.441 87 R N 0.424 120.844 120.500 -0.134 0.000 2.080 87 R HA -0.180 4.166 4.340 0.009 0.000 0.236 87 R C 0.767 176.912 176.300 -0.258 0.000 1.137 87 R CA 2.007 58.005 56.100 -0.171 0.000 0.943 87 R CB -0.043 30.172 30.300 -0.142 0.000 0.846 87 R HN 0.271 nan 8.270 nan 0.000 0.431 88 D N 0.504 120.679 120.400 -0.376 0.000 2.358 88 D HA -0.011 4.635 4.640 0.009 0.000 0.224 88 D C 1.268 177.061 176.300 -0.846 0.000 1.123 88 D CA -0.083 53.541 54.000 -0.628 0.000 0.833 88 D CB 0.426 40.650 40.800 -0.960 0.000 0.946 88 D HN 0.132 nan 8.370 nan 0.000 0.505 89 L N 0.161 121.061 121.223 -0.537 0.000 2.043 89 L HA -0.185 4.160 4.340 0.009 0.000 0.212 89 L C 1.461 178.208 176.870 -0.206 0.000 1.075 89 L CA 1.740 56.339 54.840 -0.401 0.000 0.752 89 L CB -0.467 41.374 42.059 -0.364 0.000 0.891 89 L HN -0.021 nan 8.230 nan 0.000 0.432 90 F N -1.704 117.913 119.950 -0.554 0.000 2.748 90 F HA 0.024 4.556 4.527 0.009 0.000 0.299 90 F C 1.898 177.075 175.800 -1.038 0.000 1.154 90 F CA 0.194 57.625 58.000 -0.949 0.000 1.446 90 F CB -1.057 36.994 39.000 -1.581 0.000 1.112 90 F HN 0.079 nan 8.300 nan 0.000 0.584 91 F N -1.949 117.691 119.950 -0.517 0.000 2.656 91 F HA 0.118 4.650 4.527 0.009 0.000 0.291 91 F C 0.849 176.412 175.800 -0.394 0.000 1.122 91 F CA -0.350 57.449 58.000 -0.336 0.000 1.427 91 F CB -0.435 38.345 39.000 -0.367 0.000 1.125 91 F HN -0.352 nan 8.300 nan 0.000 0.583 92 F N 0.529 120.272 119.950 -0.346 0.000 2.496 92 F HA 0.340 4.873 4.527 0.009 0.000 0.344 92 F C 0.704 176.233 175.800 -0.452 0.000 1.155 92 F CA -0.498 57.107 58.000 -0.658 0.000 1.302 92 F CB 0.376 38.396 39.000 -1.634 0.000 1.159 92 F HN -0.359 nan 8.300 nan 0.000 0.595 93 S N 2.109 117.942 115.700 0.221 0.000 2.603 93 S HA 0.487 4.962 4.470 0.009 0.000 0.274 93 S C -1.798 173.218 174.600 0.692 0.000 1.168 93 S CA -0.691 57.794 58.200 0.474 0.000 0.963 93 S CB 0.763 64.161 63.200 0.330 0.000 1.078 93 S HN 0.524 nan 8.310 nan 0.000 0.477 94 L N 5.064 126.690 121.223 0.672 0.000 2.261 94 L HA 0.591 4.937 4.340 0.009 0.000 0.289 94 L C -0.302 176.732 176.870 0.273 0.000 1.059 94 L CA 0.334 55.365 54.840 0.319 0.000 0.816 94 L CB 0.583 42.845 42.059 0.339 0.000 1.191 94 L HN 0.612 nan 8.230 nan 0.000 0.431 95 E N 6.840 127.085 120.200 0.075 0.000 2.214 95 E HA 0.474 4.829 4.350 0.009 0.000 0.274 95 E C -2.443 173.966 176.600 -0.318 0.000 0.977 95 E CA -1.885 54.476 56.400 -0.065 0.000 0.827 95 E CB 1.157 30.865 29.700 0.013 0.000 1.130 95 E HN 0.435 nan 8.360 nan 0.000 0.394 96 P HA 0.202 nan 4.420 nan 0.000 0.274 96 P C -2.552 174.523 177.300 -0.375 0.000 1.256 96 P CA -1.444 61.003 63.100 -1.089 0.000 0.795 96 P CB -0.633 30.115 31.700 -1.587 0.000 1.038 97 P HA 0.047 nan 4.420 nan 0.000 0.267 97 P C -0.097 177.248 177.300 0.075 0.000 1.200 97 P CA 0.325 63.424 63.100 -0.002 0.000 0.772 97 P CB -0.019 31.751 31.700 0.117 0.000 0.855 98 A N 5.343 128.274 122.820 0.184 0.000 2.492 98 A HA 0.162 4.487 4.320 0.009 0.000 0.236 98 A C -1.171 176.504 177.584 0.152 0.000 1.078 98 A CA -0.560 51.576 52.037 0.165 0.000 0.773 98 A CB -1.182 17.934 19.000 0.192 0.000 1.023 98 A HN 0.435 nan 8.150 nan 0.000 0.504 99 P HA -0.142 nan 4.420 nan 0.000 0.219 99 P C 0.792 178.082 177.300 -0.018 0.000 1.146 99 P CA 1.525 64.635 63.100 0.015 0.000 0.808 99 P CB 0.092 31.785 31.700 -0.012 0.000 0.779 100 E N -1.480 118.682 120.200 -0.063 0.000 2.171 100 E HA -0.202 4.153 4.350 0.009 0.000 0.197 100 E C 1.359 177.804 176.600 -0.258 0.000 0.997 100 E CA 1.242 57.520 56.400 -0.203 0.000 0.810 100 E CB -0.993 28.504 29.700 -0.338 0.000 0.738 100 E HN 0.453 nan 8.360 nan 0.000 0.467 101 Y N -0.007 120.298 120.300 0.010 0.000 2.529 101 Y HA 0.139 4.694 4.550 0.007 0.000 0.290 101 Y C 1.749 177.645 175.900 -0.007 0.000 1.177 101 Y CA 0.415 58.532 58.100 0.027 0.000 1.305 101 Y CB -0.307 38.202 38.460 0.082 0.000 1.047 101 Y HN 0.110 nan 8.280 nan 0.000 0.522 102 G N 0.887 109.711 108.800 0.040 0.000 2.634 102 G HA2 -0.360 3.605 3.960 0.009 0.000 0.309 102 G HA3 -0.360 3.605 3.960 0.009 0.000 0.309 102 G C 0.639 175.407 174.900 -0.220 0.000 1.265 102 G CA 0.650 45.694 45.100 -0.095 0.000 0.998 102 G HN 0.291 nan 8.290 nan 0.000 0.551 103 L N 1.954 122.953 121.223 -0.374 0.000 2.653 103 L HA 0.336 4.681 4.340 0.009 0.000 0.231 103 L C 1.772 178.492 176.870 -0.251 0.000 1.153 103 L CA 0.520 54.929 54.840 -0.718 0.000 0.933 103 L CB -0.099 41.515 42.059 -0.742 0.000 1.175 103 L HN 0.664 nan 8.230 nan 0.000 0.473 104 S N -0.964 114.697 115.700 -0.065 0.000 2.614 104 S HA 0.246 4.722 4.470 0.009 0.000 0.265 104 S C 0.164 174.799 174.600 0.058 0.000 1.303 104 S CA -0.361 57.787 58.200 -0.086 0.000 1.000 104 S CB 0.630 63.850 63.200 0.034 0.000 0.935 104 S HN 0.114 nan 8.310 nan 0.000 0.551 105 F N 0.173 120.250 119.950 0.211 0.000 2.730 105 F HA 0.501 5.033 4.527 0.008 0.000 0.295 105 F C 1.585 177.414 175.800 0.048 0.000 1.143 105 F CA -0.813 57.253 58.000 0.111 0.000 1.367 105 F CB -0.781 38.247 39.000 0.046 0.000 0.970 105 F HN 0.767 nan 8.300 nan 0.000 0.514 106 A N -0.155 122.785 122.820 0.201 0.000 2.275 106 A HA 0.584 4.909 4.320 0.009 0.000 0.212 106 A C 1.435 179.015 177.584 -0.007 0.000 1.201 106 A CA 0.239 52.361 52.037 0.143 0.000 0.843 106 A CB -0.538 18.585 19.000 0.204 0.000 0.873 106 A HN 0.172 nan 8.150 nan 0.000 0.492 107 A N 1.265 123.928 122.820 -0.262 0.000 2.425 107 A HA 0.536 4.861 4.320 0.009 0.000 0.249 107 A C -2.341 175.050 177.584 -0.321 0.000 1.084 107 A CA -1.043 50.523 52.037 -0.785 0.000 0.781 107 A CB -0.341 18.156 19.000 -0.839 0.000 1.019 107 A HN 0.243 nan 8.150 nan 0.000 0.490 108 P HA 0.093 nan 4.420 nan 0.000 0.269 108 P C 1.099 178.346 177.300 -0.087 0.000 1.215 108 P CA -0.545 62.500 63.100 -0.093 0.000 0.780 108 P CB 0.446 32.133 31.700 -0.023 0.000 0.898 109 L N 2.874 124.070 121.223 -0.045 0.000 2.034 109 L HA -0.259 4.086 4.340 0.009 0.000 0.217 109 L C 1.731 178.550 176.870 -0.085 0.000 1.077 109 L CA 2.146 56.959 54.840 -0.045 0.000 0.769 109 L CB -0.698 41.358 42.059 -0.004 0.000 0.890 109 L HN 0.352 nan 8.230 nan 0.000 0.435 110 K N -0.876 119.508 120.400 -0.026 0.000 2.459 110 K HA 0.045 4.370 4.320 0.009 0.000 0.193 110 K C 0.208 176.777 176.600 -0.052 0.000 1.030 110 K CA 0.543 56.836 56.287 0.010 0.000 1.026 110 K CB 0.115 32.757 32.500 0.236 0.000 0.809 110 K HN 0.438 nan 8.250 nan 0.000 0.504 111 E N -0.328 119.828 120.200 -0.073 0.000 3.646 111 E HA 0.179 4.534 4.350 0.009 0.000 0.211 111 E C 0.233 176.757 176.600 -0.127 0.000 1.034 111 E CA -0.236 56.131 56.400 -0.055 0.000 1.341 111 E CB 1.306 31.013 29.700 0.012 0.000 1.202 111 E HN 0.328 nan 8.360 nan 0.000 0.447 112 G N 0.174 108.890 108.800 -0.139 0.000 2.481 112 G HA2 -0.261 3.705 3.960 0.009 0.000 0.200 112 G HA3 -0.261 3.705 3.960 0.009 0.000 0.200 112 G C 1.136 176.035 174.900 -0.001 0.000 1.012 112 G CA -0.159 44.897 45.100 -0.074 0.000 0.676 112 G HN 0.452 nan 8.290 nan 0.000 0.488 113 G N 1.038 109.794 108.800 -0.073 0.000 2.446 113 G HA2 -0.069 3.897 3.960 0.009 0.000 0.217 113 G HA3 -0.069 3.897 3.960 0.009 0.000 0.217 113 G C 1.850 176.728 174.900 -0.036 0.000 1.168 113 G CA 1.381 46.451 45.100 -0.050 0.000 0.771 113 G HN 0.657 nan 8.290 nan 0.000 0.551 114 L N -1.263 119.920 121.223 -0.066 0.000 2.083 114 L HA -0.043 4.303 4.340 0.009 0.000 0.209 114 L C 2.575 179.458 176.870 0.020 0.000 1.083 114 L CA 1.138 55.948 54.840 -0.049 0.000 0.752 114 L CB -0.241 41.740 42.059 -0.129 0.000 0.899 114 L HN 0.520 nan 8.230 nan 0.000 0.433 115 W N 0.340 121.567 121.300 -0.122 0.000 2.363 115 W HA -0.207 4.457 4.660 0.008 0.000 0.296 115 W C 2.136 178.672 176.519 0.027 0.000 1.212 115 W CA 1.323 58.669 57.345 0.002 0.000 1.260 115 W CB -0.035 29.382 29.460 -0.072 0.000 1.131 115 W HN -0.012 nan 8.180 nan 0.000 0.530 116 L N 0.020 121.304 121.223 0.102 0.000 2.093 116 L HA -0.193 4.152 4.340 0.009 0.000 0.208 116 L C 2.372 179.088 176.870 -0.256 0.000 1.085 116 L CA 1.182 55.928 54.840 -0.157 0.000 0.755 116 L CB -0.704 41.285 42.059 -0.116 0.000 0.904 116 L HN 0.007 nan 8.230 nan 0.000 0.435 117 I N -0.221 120.241 120.570 -0.180 0.000 2.142 117 I HA -0.287 3.888 4.170 0.009 0.000 0.240 117 I C 2.828 178.883 176.117 -0.103 0.000 1.078 117 I CA 1.198 62.374 61.300 -0.207 0.000 1.343 117 I CB -0.516 37.422 38.000 -0.102 0.000 1.046 117 I HN 0.189 nan 8.210 nan 0.000 0.405 118 A N 0.331 123.162 122.820 0.018 0.000 1.892 118 A HA -0.243 4.082 4.320 0.009 0.000 0.218 118 A C 2.483 180.154 177.584 0.146 0.000 1.188 118 A CA 2.518 54.637 52.037 0.136 0.000 0.631 118 A CB -0.893 18.078 19.000 -0.048 0.000 0.822 118 A HN 0.424 nan 8.150 nan 0.000 0.447 119 S N -1.229 114.387 115.700 -0.141 0.000 2.382 119 S HA -0.114 4.361 4.470 0.009 0.000 0.228 119 S C 1.634 176.207 174.600 -0.045 0.000 1.027 119 S CA 1.326 59.414 58.200 -0.187 0.000 0.991 119 S CB -0.524 62.260 63.200 -0.694 0.000 0.823 119 S HN 0.619 nan 8.310 nan 0.000 0.469 120 F N 1.989 121.789 119.950 -0.250 0.000 2.095 120 F HA -0.131 4.402 4.527 0.010 0.000 0.298 120 F C 1.676 177.449 175.800 -0.045 0.000 1.104 120 F CA 1.281 59.139 58.000 -0.238 0.000 1.232 120 F CB -0.502 38.224 39.000 -0.456 0.000 0.987 120 F HN 0.106 nan 8.300 nan 0.000 0.475 121 F N -0.066 119.901 119.950 0.028 0.000 2.171 121 F HA -0.222 4.310 4.527 0.009 0.000 0.300 121 F C 2.636 178.372 175.800 -0.107 0.000 1.090 121 F CA 1.625 59.603 58.000 -0.036 0.000 1.293 121 F CB -1.030 38.017 39.000 0.080 0.000 1.013 121 F HN 0.069 nan 8.300 nan 0.000 0.486 122 M N -1.414 118.207 119.600 0.035 0.000 2.132 122 M HA -0.208 4.277 4.480 0.009 0.000 0.263 122 M C 2.302 178.597 176.300 -0.009 0.000 1.065 122 M CA 1.615 56.758 55.300 -0.262 0.000 1.122 122 M CB -0.404 31.899 32.600 -0.494 0.000 1.365 122 M HN 0.178 nan 8.290 nan 0.000 0.411 123 F N 0.298 120.262 119.950 0.024 0.000 2.069 123 F HA -0.257 4.276 4.527 0.010 0.000 0.298 123 F C 1.936 177.803 175.800 0.113 0.000 1.113 123 F CA 2.000 60.114 58.000 0.191 0.000 1.214 123 F CB -0.440 38.547 39.000 -0.022 0.000 0.978 123 F HN -0.108 nan 8.300 nan 0.000 0.474 124 V N 0.439 120.416 119.914 0.105 0.000 2.343 124 V HA -0.331 3.794 4.120 0.009 0.000 0.247 124 V C 2.675 178.804 176.094 0.057 0.000 1.051 124 V CA 1.738 64.063 62.300 0.041 0.000 1.036 124 V CB -1.631 30.128 31.823 -0.107 0.000 0.654 124 V HN 0.509 nan 8.190 nan 0.000 0.451 125 A N -0.079 122.740 122.820 -0.003 0.000 1.865 125 A HA -0.187 4.138 4.320 0.009 0.000 0.217 125 A C 2.410 179.955 177.584 -0.065 0.000 1.191 125 A CA 2.371 54.389 52.037 -0.032 0.000 0.623 125 A CB -0.820 18.087 19.000 -0.155 0.000 0.826 125 A HN 0.330 nan 8.150 nan 0.000 0.444 126 V N -2.410 117.329 119.914 -0.292 0.000 2.307 126 V HA -0.277 3.848 4.120 0.009 0.000 0.245 126 V C 2.276 178.173 176.094 -0.329 0.000 1.045 126 V CA 1.852 63.844 62.300 -0.514 0.000 1.024 126 V CB -0.999 30.030 31.823 -1.323 0.000 0.651 126 V HN 0.783 nan 8.190 nan 0.000 0.449 127 W N 0.725 121.886 121.300 -0.232 0.000 2.418 127 W HA -0.157 4.508 4.660 0.009 0.000 0.292 127 W C 2.953 179.516 176.519 0.072 0.000 1.213 127 W CA 1.436 58.693 57.345 -0.146 0.000 1.283 127 W CB -0.411 28.866 29.460 -0.305 0.000 1.119 127 W HN 0.348 nan 8.180 nan 0.000 0.542 128 S N -0.848 115.021 115.700 0.281 0.000 2.382 128 S HA -0.261 4.215 4.470 0.009 0.000 0.228 128 S C 1.692 176.424 174.600 0.220 0.000 1.027 128 S CA 0.947 59.285 58.200 0.229 0.000 0.991 128 S CB -1.294 62.014 63.200 0.180 0.000 0.823 128 S HN 0.470 nan 8.310 nan 0.000 0.469 129 W N 0.872 122.227 121.300 0.091 0.000 2.363 129 W HA -0.108 4.557 4.660 0.009 0.000 0.296 129 W C 1.957 178.618 176.519 0.237 0.000 1.212 129 W CA 1.096 58.510 57.345 0.114 0.000 1.260 129 W CB -0.469 29.042 29.460 0.086 0.000 1.131 129 W HN 0.508 nan 8.180 nan 0.000 0.530 130 W N 1.343 122.800 121.300 0.261 0.000 2.355 130 W HA -0.102 4.563 4.660 0.009 0.000 0.309 130 W C 2.519 179.092 176.519 0.090 0.000 1.206 130 W CA 3.287 60.726 57.345 0.157 0.000 1.284 130 W CB -0.910 28.442 29.460 -0.180 0.000 1.145 130 W HN -0.127 nan 8.180 nan 0.000 0.502 131 G N 0.240 109.115 108.800 0.124 0.000 2.440 131 G HA2 -0.338 3.627 3.960 0.009 0.000 0.218 131 G HA3 -0.338 3.627 3.960 0.009 0.000 0.218 131 G C 1.589 176.330 174.900 -0.265 0.000 1.154 131 G CA 1.151 46.175 45.100 -0.127 0.000 0.767 131 G HN 0.321 nan 8.290 nan 0.000 0.552 132 R N -0.293 120.053 120.500 -0.256 0.000 2.081 132 R HA -0.057 4.289 4.340 0.009 0.000 0.235 132 R C 2.689 178.717 176.300 -0.454 0.000 1.131 132 R CA 1.788 57.667 56.100 -0.368 0.000 0.960 132 R CB -0.462 29.523 30.300 -0.525 0.000 0.856 132 R HN 0.317 nan 8.270 nan 0.000 0.436 133 T N -0.077 114.185 114.554 -0.487 0.000 2.720 133 T HA -0.208 4.147 4.350 0.009 0.000 0.268 133 T C 1.293 175.722 174.700 -0.453 0.000 1.037 133 T CA 1.572 63.418 62.100 -0.423 0.000 1.144 133 T CB -0.423 68.290 68.868 -0.259 0.000 0.864 133 T HN 0.359 nan 8.240 nan 0.000 0.444 134 Y N 1.396 121.271 120.300 -0.709 0.000 2.133 134 Y HA -0.012 4.543 4.550 0.009 0.000 0.287 134 Y C 2.067 177.694 175.900 -0.456 0.000 1.134 134 Y CA 1.162 58.852 58.100 -0.683 0.000 1.133 134 Y CB -0.382 37.554 38.460 -0.874 0.000 0.987 134 Y HN 0.095 nan 8.280 nan 0.000 0.502 135 L N -0.378 120.744 121.223 -0.168 0.000 2.093 135 L HA -0.200 4.145 4.340 0.009 0.000 0.208 135 L C 2.492 179.186 176.870 -0.293 0.000 1.085 135 L CA 0.884 55.631 54.840 -0.155 0.000 0.755 135 L CB -0.413 41.568 42.059 -0.129 0.000 0.904 135 L HN 0.142 nan 8.230 nan 0.000 0.435 136 R N 0.107 120.389 120.500 -0.364 0.000 2.092 136 R HA -0.051 4.294 4.340 0.009 0.000 0.231 136 R C 2.264 178.364 176.300 -0.334 0.000 1.119 136 R CA 1.321 57.184 56.100 -0.396 0.000 0.970 136 R CB -0.918 29.148 30.300 -0.390 0.000 0.864 136 R HN 0.329 nan 8.270 nan 0.000 0.440 137 A N 1.125 123.732 122.820 -0.355 0.000 1.877 137 A HA -0.211 4.114 4.320 0.009 0.000 0.216 137 A C 2.215 179.609 177.584 -0.317 0.000 1.186 137 A CA 1.484 53.319 52.037 -0.338 0.000 0.620 137 A CB -0.500 18.250 19.000 -0.417 0.000 0.822 137 A HN 0.387 nan 8.150 nan 0.000 0.443 138 Q N -0.534 119.046 119.800 -0.366 0.000 2.084 138 Q HA -0.131 4.214 4.340 0.009 0.000 0.202 138 Q C 2.148 178.038 176.000 -0.185 0.000 0.978 138 Q CA 1.586 57.226 55.803 -0.271 0.000 0.844 138 Q CB -0.346 28.258 28.738 -0.224 0.000 0.898 138 Q HN 0.594 nan 8.270 nan 0.000 0.426 139 A N 0.485 123.184 122.820 -0.201 0.000 1.972 139 A HA -0.107 4.218 4.320 0.009 0.000 0.219 139 A C 1.811 179.306 177.584 -0.149 0.000 1.169 139 A CA 1.008 52.942 52.037 -0.172 0.000 0.635 139 A CB -0.369 18.491 19.000 -0.233 0.000 0.810 139 A HN 0.452 nan 8.150 nan 0.000 0.446 140 L N -1.338 119.785 121.223 -0.167 0.000 2.592 140 L HA 0.230 4.575 4.340 0.009 0.000 0.227 140 L C 1.615 178.417 176.870 -0.113 0.000 1.127 140 L CA 0.452 55.211 54.840 -0.134 0.000 0.884 140 L CB -0.082 41.891 42.059 -0.144 0.000 1.065 140 L HN 0.545 nan 8.230 nan 0.000 0.457 141 G N 0.206 108.935 108.800 -0.119 0.000 2.155 141 G HA2 -0.315 3.650 3.960 0.009 0.000 0.257 141 G HA3 -0.315 3.650 3.960 0.009 0.000 0.257 141 G C 0.279 175.120 174.900 -0.098 0.000 0.983 141 G CA 0.242 45.284 45.100 -0.096 0.000 0.676 141 G HN 0.276 nan 8.290 nan 0.000 0.528 142 M N 0.384 119.906 119.600 -0.129 0.000 2.283 142 M HA 0.534 5.019 4.480 0.009 0.000 0.314 142 M C 1.438 177.668 176.300 -0.116 0.000 1.153 142 M CA 0.132 55.364 55.300 -0.113 0.000 1.084 142 M CB 0.685 33.206 32.600 -0.131 0.000 1.468 142 M HN 0.211 nan 8.290 nan 0.000 0.474 143 G N 0.555 109.340 108.800 -0.025 0.000 2.667 143 G HA2 0.145 4.110 3.960 0.009 0.000 0.250 143 G HA3 0.145 4.110 3.960 0.009 0.000 0.250 143 G C 0.167 175.013 174.900 -0.089 0.000 1.212 143 G CA -0.540 44.586 45.100 0.043 0.000 0.874 143 G HN 0.627 nan 8.290 nan 0.000 0.561 144 K N -0.085 120.153 120.400 -0.270 0.000 2.493 144 K HA 0.126 4.451 4.320 0.009 0.000 0.207 144 K C 1.247 177.450 176.600 -0.661 0.000 1.033 144 K CA -0.165 55.734 56.287 -0.646 0.000 1.161 144 K CB 0.069 31.977 32.500 -0.987 0.000 0.873 144 K HN 0.602 nan 8.250 nan 0.000 0.491 145 H N 0.333 119.273 119.070 -0.216 0.000 2.387 145 H HA -0.077 4.484 4.556 0.009 0.000 0.299 145 H C 1.682 177.016 175.328 0.010 0.000 1.090 145 H CA 2.079 58.120 56.048 -0.011 0.000 1.332 145 H CB -0.159 29.607 29.762 0.005 0.000 1.386 145 H HN 0.085 nan 8.280 nan 0.000 0.516 146 T N 0.191 114.784 114.554 0.065 0.000 2.746 146 T HA -0.152 4.204 4.350 0.009 0.000 0.267 146 T C 2.381 177.210 174.700 0.216 0.000 1.039 146 T CA 1.256 63.439 62.100 0.138 0.000 1.142 146 T CB -0.506 68.363 68.868 0.002 0.000 0.866 146 T HN 0.517 nan 8.240 nan 0.000 0.444 147 A N 0.544 123.307 122.820 -0.095 0.000 1.902 147 A HA -0.062 4.263 4.320 0.009 0.000 0.217 147 A C 2.133 179.889 177.584 0.287 0.000 1.181 147 A CA 1.176 53.153 52.037 -0.100 0.000 0.623 147 A CB -1.125 17.502 19.000 -0.622 0.000 0.818 147 A HN 0.737 nan 8.150 nan 0.000 0.443 148 W N -1.668 119.795 121.300 0.273 0.000 2.355 148 W HA -0.123 4.542 4.660 0.009 0.000 0.309 148 W C 2.162 178.754 176.519 0.123 0.000 1.206 148 W CA 0.375 57.832 57.345 0.187 0.000 1.284 148 W CB -0.576 28.916 29.460 0.054 0.000 1.145 148 W HN 0.602 nan 8.180 nan 0.000 0.502 149 W N 0.762 122.212 121.300 0.250 0.000 2.335 149 W HA -0.305 4.360 4.660 0.009 0.000 0.311 149 W C 2.216 178.893 176.519 0.262 0.000 1.213 149 W CA 1.575 59.003 57.345 0.139 0.000 1.274 149 W CB -1.245 28.246 29.460 0.051 0.000 1.148 149 W HN -0.058 nan 8.180 nan 0.000 0.498 150 F N 0.864 120.505 119.950 -0.515 0.000 2.202 150 F HA -0.184 4.349 4.527 0.009 0.000 0.301 150 F C 1.981 177.443 175.800 -0.564 0.000 1.082 150 F CA 1.470 58.885 58.000 -0.976 0.000 1.313 150 F CB -1.221 37.682 39.000 -0.162 0.000 1.024 150 F HN -0.045 nan 8.300 nan 0.000 0.495 151 L N -0.294 120.839 121.223 -0.151 0.000 2.083 151 L HA -0.179 4.166 4.340 0.009 0.000 0.209 151 L C 2.823 179.575 176.870 -0.197 0.000 1.083 151 L CA 2.063 56.764 54.840 -0.231 0.000 0.752 151 L CB -1.414 40.668 42.059 0.039 0.000 0.899 151 L HN 0.259 nan 8.230 nan 0.000 0.433 152 S N -1.269 114.311 115.700 -0.199 0.000 2.382 152 S HA -0.141 4.334 4.470 0.009 0.000 0.228 152 S C 2.126 176.707 174.600 -0.031 0.000 1.027 152 S CA 1.133 59.284 58.200 -0.083 0.000 0.991 152 S CB -0.185 62.975 63.200 -0.067 0.000 0.823 152 S HN 0.525 nan 8.310 nan 0.000 0.469 153 A N 1.340 123.992 122.820 -0.279 0.000 1.897 153 A HA 0.102 4.427 4.320 0.009 0.000 0.215 153 A C 2.100 179.627 177.584 -0.095 0.000 1.181 153 A CA 1.262 53.214 52.037 -0.141 0.000 0.620 153 A CB -0.744 18.125 19.000 -0.219 0.000 0.821 153 A HN 0.605 nan 8.150 nan 0.000 0.443 154 I N -1.230 119.168 120.570 -0.286 0.000 2.264 154 I HA -0.304 3.871 4.170 0.009 0.000 0.248 154 I C 2.458 178.615 176.117 0.066 0.000 1.111 154 I CA 1.389 62.520 61.300 -0.281 0.000 1.382 154 I CB -0.332 37.173 38.000 -0.824 0.000 1.060 154 I HN 0.754 nan 8.210 nan 0.000 0.418 155 W N 1.721 122.951 121.300 -0.117 0.000 2.301 155 W HA -0.353 4.313 4.660 0.009 0.000 0.325 155 W C 2.383 178.919 176.519 0.030 0.000 1.250 155 W CA 1.540 58.870 57.345 -0.026 0.000 1.261 155 W CB -0.403 29.033 29.460 -0.040 0.000 1.157 155 W HN 0.160 nan 8.180 nan 0.000 0.473 156 L N 1.023 122.187 121.223 -0.098 0.000 2.012 156 L HA -0.176 4.169 4.340 0.009 0.000 0.210 156 L C 2.295 179.110 176.870 -0.091 0.000 1.073 156 L CA 2.791 57.505 54.840 -0.209 0.000 0.748 156 L CB -1.766 40.281 42.059 -0.019 0.000 0.891 156 L HN 0.302 nan 8.230 nan 0.000 0.431 157 W N -0.191 121.011 121.300 -0.163 0.000 2.335 157 W HA -0.260 4.406 4.660 0.009 0.000 0.311 157 W C 2.283 178.751 176.519 -0.084 0.000 1.213 157 W CA 2.020 59.287 57.345 -0.131 0.000 1.274 157 W CB -0.276 29.073 29.460 -0.184 0.000 1.148 157 W HN 0.099 nan 8.180 nan 0.000 0.498 158 M N 0.180 119.616 119.600 -0.272 0.000 2.117 158 M HA -0.186 4.300 4.480 0.009 0.000 0.262 158 M C 1.934 178.124 176.300 -0.184 0.000 1.065 158 M CA 1.531 56.620 55.300 -0.351 0.000 1.114 158 M CB -1.612 30.975 32.600 -0.023 0.000 1.361 158 M HN -0.002 nan 8.290 nan 0.000 0.408 159 V N 0.681 120.418 119.914 -0.294 0.000 2.287 159 V HA -0.278 3.847 4.120 0.009 0.000 0.248 159 V C 2.521 178.529 176.094 -0.143 0.000 1.053 159 V CA 1.568 63.680 62.300 -0.314 0.000 1.027 159 V CB -0.706 30.745 31.823 -0.620 0.000 0.646 159 V HN 0.398 nan 8.190 nan 0.000 0.447 160 L N 0.172 121.308 121.223 -0.145 0.000 2.017 160 L HA -0.080 4.266 4.340 0.009 0.000 0.208 160 L C 2.360 179.223 176.870 -0.011 0.000 1.073 160 L CA 1.915 56.717 54.840 -0.062 0.000 0.745 160 L CB -0.777 41.224 42.059 -0.097 0.000 0.894 160 L HN 0.486 nan 8.230 nan 0.000 0.432 161 G N -2.767 105.995 108.800 -0.063 0.000 2.921 161 G HA2 -0.049 3.916 3.960 0.009 0.000 0.213 161 G HA3 -0.049 3.916 3.960 0.009 0.000 0.213 161 G C 0.925 176.009 174.900 0.305 0.000 1.143 161 G CA -0.023 45.129 45.100 0.087 0.000 0.764 161 G HN 0.238 nan 8.290 nan 0.000 0.542 162 F N -0.149 119.826 119.950 0.041 0.000 2.102 162 F HA 0.388 4.920 4.527 0.009 0.000 0.254 162 F C 2.104 177.985 175.800 0.135 0.000 0.975 162 F CA -0.003 58.104 58.000 0.177 0.000 1.176 162 F CB -0.012 39.050 39.000 0.103 0.000 1.358 162 F HN -0.043 nan 8.300 nan 0.000 0.728 163 I N 0.658 121.321 120.570 0.154 0.000 2.202 163 I HA -0.190 3.985 4.170 0.009 0.000 0.242 163 I C 2.540 178.633 176.117 -0.041 0.000 1.091 163 I CA 1.411 62.731 61.300 0.034 0.000 1.368 163 I CB -0.537 37.517 38.000 0.091 0.000 1.058 163 I HN 0.132 nan 8.210 nan 0.000 0.410 164 R N 1.135 121.630 120.500 -0.009 0.000 2.070 164 R HA -0.139 4.206 4.340 0.009 0.000 0.233 164 R C -0.387 175.915 176.300 0.003 0.000 1.137 164 R CA 1.833 57.943 56.100 0.016 0.000 0.945 164 R CB -1.173 29.172 30.300 0.075 0.000 0.845 164 R HN 0.184 nan 8.270 nan 0.000 0.430 165 P HA -0.187 nan 4.420 nan 0.000 0.215 165 P C 1.208 178.359 177.300 -0.250 0.000 1.157 165 P CA 1.489 64.565 63.100 -0.039 0.000 0.874 165 P CB -0.083 31.680 31.700 0.105 0.000 0.790 166 I N -1.430 118.932 120.570 -0.347 0.000 2.127 166 I HA -0.244 3.931 4.170 0.009 0.000 0.241 166 I C 2.310 178.269 176.117 -0.264 0.000 1.075 166 I CA 1.476 62.515 61.300 -0.436 0.000 1.334 166 I CB -0.646 37.068 38.000 -0.477 0.000 1.040 166 I HN -0.104 nan 8.210 nan 0.000 0.405 167 L N -0.422 120.703 121.223 -0.164 0.000 2.131 167 L HA -0.197 4.148 4.340 0.009 0.000 0.210 167 L C 2.349 179.165 176.870 -0.091 0.000 1.092 167 L CA 0.886 55.666 54.840 -0.100 0.000 0.759 167 L CB -0.365 41.665 42.059 -0.048 0.000 0.903 167 L HN 0.321 nan 8.230 nan 0.000 0.435 168 M N -0.808 118.739 119.600 -0.088 0.000 2.595 168 M HA 0.136 4.622 4.480 0.009 0.000 0.248 168 M C 1.596 177.829 176.300 -0.112 0.000 1.119 168 M CA 0.930 56.189 55.300 -0.069 0.000 1.079 168 M CB -0.717 31.872 32.600 -0.018 0.000 1.472 168 M HN 0.409 nan 8.290 nan 0.000 0.501 169 G N 1.451 110.144 108.800 -0.180 0.000 2.157 169 G HA2 -0.216 3.749 3.960 0.009 0.000 0.248 169 G HA3 -0.216 3.749 3.960 0.009 0.000 0.248 169 G C 0.151 174.893 174.900 -0.263 0.000 0.979 169 G CA 0.483 45.455 45.100 -0.215 0.000 0.650 169 G HN 0.670 nan 8.290 nan 0.000 0.529 170 S N -2.352 113.177 115.700 -0.285 0.000 2.547 170 S HA 0.532 5.008 4.470 0.009 0.000 0.270 170 S C 0.271 174.721 174.600 -0.251 0.000 1.150 170 S CA -0.175 57.851 58.200 -0.290 0.000 0.850 170 S CB 0.536 63.663 63.200 -0.121 0.000 1.118 170 S HN 0.411 nan 8.310 nan 0.000 0.461 171 W N 1.435 122.714 121.300 -0.035 0.000 2.519 171 W HA -0.002 4.662 4.660 0.008 0.000 0.266 171 W C 2.687 179.076 176.519 -0.218 0.000 1.253 171 W CA 0.655 57.951 57.345 -0.081 0.000 1.274 171 W CB -0.132 29.308 29.460 -0.034 0.000 1.114 171 W HN 0.935 nan 8.180 nan 0.000 0.596 172 S N 0.333 116.060 115.700 0.046 0.000 2.440 172 S HA -0.218 4.257 4.470 0.009 0.000 0.238 172 S C 1.436 176.069 174.600 0.056 0.000 1.010 172 S CA 1.342 59.538 58.200 -0.008 0.000 0.972 172 S CB -0.322 62.892 63.200 0.023 0.000 0.774 172 S HN 0.267 nan 8.310 nan 0.000 0.501 173 E N 1.557 121.821 120.200 0.107 0.000 2.427 173 E HA 0.293 4.648 4.350 0.009 0.000 0.196 173 E C 1.070 177.907 176.600 0.394 0.000 1.028 173 E CA 0.572 57.117 56.400 0.242 0.000 0.864 173 E CB -0.281 29.529 29.700 0.183 0.000 0.813 173 E HN 0.748 nan 8.360 nan 0.000 0.514 174 A N 0.956 123.890 122.820 0.191 0.000 2.272 174 A HA 0.341 4.667 4.320 0.009 0.000 0.275 174 A C 0.332 177.801 177.584 -0.192 0.000 1.096 174 A CA -0.485 51.618 52.037 0.109 0.000 0.822 174 A CB 0.683 19.815 19.000 0.220 0.000 1.088 174 A HN -0.037 nan 8.150 nan 0.000 0.495 175 V N 2.586 122.223 119.914 -0.461 0.000 2.546 175 V HA 0.308 4.433 4.120 0.009 0.000 0.284 175 V C -1.840 174.025 176.094 -0.380 0.000 1.050 175 V CA -1.044 60.705 62.300 -0.920 0.000 0.981 175 V CB 0.904 32.197 31.823 -0.883 0.000 0.990 175 V HN 0.847 nan 8.190 nan 0.000 0.474 176 P HA 0.221 nan 4.420 nan 0.000 0.276 176 P C -1.451 175.837 177.300 -0.021 0.000 1.244 176 P CA -0.415 62.625 63.100 -0.100 0.000 0.801 176 P CB 0.526 32.255 31.700 0.049 0.000 1.006 177 Y N 0.433 120.944 120.300 0.352 0.000 2.594 177 Y HA 0.608 5.163 4.550 0.008 0.000 0.342 177 Y C 1.264 177.360 175.900 0.327 0.000 1.010 177 Y CA 0.057 58.310 58.100 0.255 0.000 1.270 177 Y CB 0.361 38.912 38.460 0.152 0.000 1.125 177 Y HN 0.556 nan 8.280 nan 0.000 0.513 178 G N 1.681 110.717 108.800 0.393 0.000 2.616 178 G HA2 0.336 4.301 3.960 0.009 0.000 0.294 178 G HA3 0.336 4.301 3.960 0.009 0.000 0.294 178 G C -0.119 174.921 174.900 0.233 0.000 1.489 178 G CA -0.771 44.560 45.100 0.385 0.000 0.836 178 G HN 0.211 nan 8.290 nan 0.000 0.527 179 I N 0.514 121.131 120.570 0.078 0.000 2.110 179 I HA 0.021 4.196 4.170 0.009 0.000 0.236 179 I C 2.528 178.760 176.117 0.191 0.000 1.068 179 I CA 1.316 62.589 61.300 -0.046 0.000 1.333 179 I CB -0.993 36.643 38.000 -0.606 0.000 1.054 179 I HN 0.446 nan 8.210 nan 0.000 0.402 180 F N 1.871 121.806 119.950 -0.026 0.000 2.186 180 F HA -0.133 4.399 4.527 0.009 0.000 0.299 180 F C 3.003 178.835 175.800 0.053 0.000 1.090 180 F CA 1.145 59.113 58.000 -0.053 0.000 1.307 180 F CB -1.662 37.208 39.000 -0.217 0.000 1.019 180 F HN 0.177 nan 8.300 nan 0.000 0.489 181 S N -0.005 115.877 115.700 0.303 0.000 2.383 181 S HA -0.265 4.211 4.470 0.009 0.000 0.229 181 S C 2.081 176.873 174.600 0.321 0.000 1.030 181 S CA 1.603 59.970 58.200 0.279 0.000 1.002 181 S CB -1.251 62.107 63.200 0.264 0.000 0.829 181 S HN 0.655 nan 8.310 nan 0.000 0.467 182 H N 1.996 121.190 119.070 0.208 0.000 2.470 182 H HA 0.193 4.754 4.556 0.009 0.000 0.289 182 H C 1.904 177.394 175.328 0.270 0.000 1.033 182 H CA 1.040 57.213 56.048 0.209 0.000 1.331 182 H CB -0.550 29.290 29.762 0.131 0.000 1.414 182 H HN 0.437 nan 8.280 nan 0.000 0.545 183 L N 0.676 121.800 121.223 -0.165 0.000 2.056 183 L HA -0.124 4.221 4.340 0.009 0.000 0.207 183 L C 2.261 179.159 176.870 0.046 0.000 1.078 183 L CA 1.280 56.040 54.840 -0.133 0.000 0.749 183 L CB -0.342 41.678 42.059 -0.066 0.000 0.901 183 L HN 0.134 nan 8.230 nan 0.000 0.433 184 D N -0.584 119.883 120.400 0.112 0.000 2.123 184 D HA -0.241 4.404 4.640 0.009 0.000 0.196 184 D C 1.733 178.138 176.300 0.175 0.000 0.992 184 D CA 1.159 55.230 54.000 0.117 0.000 0.833 184 D CB -0.269 40.609 40.800 0.130 0.000 0.954 184 D HN 0.404 nan 8.370 nan 0.000 0.455 185 W N 1.612 122.953 121.300 0.068 0.000 2.358 185 W HA -0.219 4.447 4.660 0.008 0.000 0.303 185 W C 2.224 178.816 176.519 0.123 0.000 1.208 185 W CA 2.184 59.592 57.345 0.106 0.000 1.274 185 W CB -0.366 29.171 29.460 0.128 0.000 1.138 185 W HN -0.146 nan 8.180 nan 0.000 0.515 186 T N 0.267 115.065 114.554 0.405 0.000 2.708 186 T HA -0.305 4.051 4.350 0.009 0.000 0.266 186 T C 1.699 176.430 174.700 0.052 0.000 1.037 186 T CA 1.662 63.900 62.100 0.230 0.000 1.146 186 T CB -0.824 68.160 68.868 0.194 0.000 0.865 186 T HN 0.416 nan 8.240 nan 0.000 0.435 187 N N 1.043 119.763 118.700 0.032 0.000 2.058 187 N HA -0.176 4.569 4.740 0.009 0.000 0.191 187 N C 1.677 177.163 175.510 -0.040 0.000 1.037 187 N CA 1.238 54.280 53.050 -0.014 0.000 0.848 187 N CB -0.142 38.336 38.487 -0.016 0.000 1.021 187 N HN 0.227 nan 8.380 nan 0.000 0.422 188 N N 0.539 119.205 118.700 -0.057 0.000 2.149 188 N HA -0.163 4.583 4.740 0.009 0.000 0.188 188 N C 1.566 176.979 175.510 -0.161 0.000 1.019 188 N CA 0.682 53.665 53.050 -0.111 0.000 0.857 188 N CB -0.728 37.690 38.487 -0.115 0.000 0.997 188 N HN 0.316 nan 8.380 nan 0.000 0.426 189 F N 1.488 121.208 119.950 -0.384 0.000 2.095 189 F HA -0.199 4.333 4.527 0.008 0.000 0.298 189 F C 2.737 178.520 175.800 -0.029 0.000 1.104 189 F CA 1.443 59.238 58.000 -0.342 0.000 1.232 189 F CB -0.452 38.151 39.000 -0.661 0.000 0.987 189 F HN -0.041 nan 8.300 nan 0.000 0.475 190 S N 0.153 115.934 115.700 0.136 0.000 2.368 190 S HA -0.147 4.328 4.470 0.009 0.000 0.224 190 S C 2.147 176.741 174.600 -0.009 0.000 1.029 190 S CA 1.447 59.686 58.200 0.065 0.000 0.988 190 S CB -0.533 62.633 63.200 -0.057 0.000 0.838 190 S HN 0.421 nan 8.310 nan 0.000 0.462 191 L N 0.910 122.093 121.223 -0.066 0.000 1.989 191 L HA -0.074 4.271 4.340 0.009 0.000 0.211 191 L C 2.512 179.304 176.870 -0.130 0.000 1.071 191 L CA 1.204 55.994 54.840 -0.084 0.000 0.749 191 L CB -0.747 41.258 42.059 -0.090 0.000 0.890 191 L HN 0.218 nan 8.230 nan 0.000 0.431 192 V N -0.828 118.947 119.914 -0.231 0.000 2.594 192 V HA -0.275 3.851 4.120 0.009 0.000 0.253 192 V C 1.407 177.185 176.094 -0.527 0.000 1.069 192 V CA 1.676 63.736 62.300 -0.399 0.000 1.082 192 V CB -0.831 30.665 31.823 -0.545 0.000 0.680 192 V HN 0.499 nan 8.190 nan 0.000 0.469 193 H N -0.536 118.412 119.070 -0.204 0.000 2.507 193 H HA 0.444 5.005 4.556 0.009 0.000 0.294 193 H C 1.473 176.850 175.328 0.082 0.000 1.064 193 H CA 0.494 56.478 56.048 -0.107 0.000 1.138 193 H CB 0.022 29.706 29.762 -0.129 0.000 1.515 193 H HN 0.391 nan 8.280 nan 0.000 0.547 194 G N 1.703 110.569 108.800 0.111 0.000 2.176 194 G HA2 -0.358 3.607 3.960 0.009 0.000 0.252 194 G HA3 -0.358 3.607 3.960 0.009 0.000 0.252 194 G C -0.382 174.714 174.900 0.326 0.000 1.024 194 G CA 0.156 45.363 45.100 0.179 0.000 0.755 194 G HN 0.663 nan 8.290 nan 0.000 0.507 195 N N -2.399 116.438 118.700 0.230 0.000 3.925 195 N HA -0.130 4.615 4.740 0.009 0.000 0.278 195 N C 0.756 176.367 175.510 0.169 0.000 2.104 195 N CA 0.712 53.856 53.050 0.157 0.000 2.544 195 N CB -1.062 37.570 38.487 0.242 0.000 0.490 195 N HN 0.506 nan 8.380 nan 0.000 0.551 196 L N 4.092 125.248 121.223 -0.112 0.000 2.456 196 L HA 0.138 4.484 4.340 0.009 0.000 0.224 196 L C 1.777 178.490 176.870 -0.260 0.000 1.148 196 L CA 1.057 55.724 54.840 -0.289 0.000 0.825 196 L CB -0.567 41.134 42.059 -0.597 0.000 0.937 196 L HN 0.612 nan 8.230 nan 0.000 0.450 197 F N -1.737 118.076 119.950 -0.228 0.000 2.408 197 F HA -0.177 4.356 4.527 0.009 0.000 0.300 197 F C 1.685 177.368 175.800 -0.195 0.000 1.090 197 F CA 0.539 58.429 58.000 -0.183 0.000 1.427 197 F CB -1.068 37.769 39.000 -0.271 0.000 1.070 197 F HN 0.164 nan 8.300 nan 0.000 0.549 198 Y N -1.379 119.088 120.300 0.278 0.000 2.466 198 Y HA 0.109 4.664 4.550 0.009 0.000 0.272 198 Y C 0.981 176.991 175.900 0.182 0.000 1.169 198 Y CA -0.527 57.759 58.100 0.311 0.000 1.285 198 Y CB -0.511 38.218 38.460 0.450 0.000 1.078 198 Y HN -0.158 nan 8.280 nan 0.000 0.523 199 N N 2.636 121.270 118.700 -0.110 0.000 2.406 199 N HA 0.068 4.813 4.740 0.009 0.000 0.251 199 N C -1.831 173.472 175.510 -0.344 0.000 1.069 199 N CA -2.176 50.367 53.050 -0.845 0.000 0.947 199 N CB 1.354 39.036 38.487 -1.340 0.000 1.111 199 N HN 0.002 nan 8.380 nan 0.000 0.497 200 P HA -0.104 nan 4.420 nan 0.000 0.218 200 P C 1.077 178.226 177.300 -0.252 0.000 1.149 200 P CA 1.119 64.117 63.100 -0.171 0.000 0.817 200 P CB 0.033 31.648 31.700 -0.142 0.000 0.785 201 F N -0.798 119.061 119.950 -0.151 0.000 2.325 201 F HA -0.100 4.432 4.527 0.009 0.000 0.299 201 F C 2.848 178.641 175.800 -0.012 0.000 1.090 201 F CA 1.020 58.993 58.000 -0.044 0.000 1.392 201 F CB -1.184 37.797 39.000 -0.031 0.000 1.053 201 F HN 0.097 nan 8.300 nan 0.000 0.521 202 H N -0.006 119.055 119.070 -0.013 0.000 2.326 202 H HA -0.072 4.490 4.556 0.009 0.000 0.301 202 H C 2.418 177.738 175.328 -0.012 0.000 1.081 202 H CA 1.465 57.507 56.048 -0.010 0.000 1.334 202 H CB -0.465 29.265 29.762 -0.054 0.000 1.385 202 H HN 0.317 nan 8.280 nan 0.000 0.504 203 G N 1.269 110.074 108.800 0.009 0.000 2.440 203 G HA2 -0.227 3.738 3.960 0.009 0.000 0.218 203 G HA3 -0.227 3.738 3.960 0.009 0.000 0.218 203 G C 2.033 176.831 174.900 -0.170 0.000 1.154 203 G CA 0.816 45.859 45.100 -0.094 0.000 0.767 203 G HN 0.348 nan 8.290 nan 0.000 0.552 204 L N 0.311 121.471 121.223 -0.105 0.000 2.017 204 L HA -0.078 4.268 4.340 0.009 0.000 0.208 204 L C 3.124 179.979 176.870 -0.025 0.000 1.073 204 L CA 1.280 56.059 54.840 -0.101 0.000 0.745 204 L CB -0.469 41.648 42.059 0.097 0.000 0.894 204 L HN 0.323 nan 8.230 nan 0.000 0.432 205 S N 0.085 115.837 115.700 0.087 0.000 2.374 205 S HA -0.194 4.281 4.470 0.009 0.000 0.227 205 S C 1.955 176.522 174.600 -0.056 0.000 1.037 205 S CA 1.370 59.643 58.200 0.123 0.000 1.024 205 S CB -0.249 62.987 63.200 0.059 0.000 0.861 205 S HN 0.277 nan 8.310 nan 0.000 0.456 206 I N 1.358 121.756 120.570 -0.287 0.000 2.179 206 I HA -0.186 3.989 4.170 0.009 0.000 0.242 206 I C 2.769 178.562 176.117 -0.539 0.000 1.088 206 I CA 1.068 62.063 61.300 -0.509 0.000 1.357 206 I CB -0.631 36.982 38.000 -0.645 0.000 1.051 206 I HN 0.359 nan 8.210 nan 0.000 0.409 207 A N 1.069 123.630 122.820 -0.431 0.000 1.892 207 A HA -0.249 4.077 4.320 0.009 0.000 0.218 207 A C 2.028 179.438 177.584 -0.289 0.000 1.188 207 A CA 1.940 53.737 52.037 -0.400 0.000 0.631 207 A CB -1.046 17.619 19.000 -0.559 0.000 0.822 207 A HN 0.374 nan 8.150 nan 0.000 0.447 208 F N -1.183 118.772 119.950 0.007 0.000 2.325 208 F HA 0.020 4.552 4.527 0.009 0.000 0.299 208 F C 1.945 177.798 175.800 0.088 0.000 1.090 208 F CA 0.833 58.879 58.000 0.077 0.000 1.392 208 F CB -0.593 38.474 39.000 0.110 0.000 1.053 208 F HN 0.234 nan 8.300 nan 0.000 0.521 209 L N -0.952 120.377 121.223 0.177 0.000 2.044 209 L HA -0.180 4.165 4.340 0.009 0.000 0.205 209 L C 2.243 179.264 176.870 0.251 0.000 1.075 209 L CA 1.829 56.770 54.840 0.169 0.000 0.747 209 L CB -1.069 41.039 42.059 0.082 0.000 0.903 209 L HN 0.024 nan 8.230 nan 0.000 0.435 210 Y N 0.223 120.564 120.300 0.070 0.000 2.165 210 Y HA -0.088 4.468 4.550 0.009 0.000 0.286 210 Y C 2.576 178.516 175.900 0.066 0.000 1.155 210 Y CA 0.865 58.995 58.100 0.050 0.000 1.164 210 Y CB -1.653 36.813 38.460 0.010 0.000 0.978 210 Y HN 0.271 nan 8.280 nan 0.000 0.513 211 G N -1.338 107.605 108.800 0.238 0.000 2.422 211 G HA2 -0.190 3.775 3.960 0.009 0.000 0.218 211 G HA3 -0.190 3.775 3.960 0.009 0.000 0.218 211 G C 1.928 176.938 174.900 0.183 0.000 1.140 211 G CA 1.094 46.304 45.100 0.184 0.000 0.775 211 G HN 0.384 nan 8.290 nan 0.000 0.545 212 S N 0.863 116.690 115.700 0.211 0.000 2.383 212 S HA 0.042 4.518 4.470 0.009 0.000 0.227 212 S C 2.746 177.463 174.600 0.196 0.000 1.026 212 S CA 1.070 59.381 58.200 0.186 0.000 0.981 212 S CB -0.225 63.091 63.200 0.192 0.000 0.818 212 S HN 0.565 nan 8.310 nan 0.000 0.472 213 A N 1.441 124.375 122.820 0.190 0.000 1.897 213 A HA 0.034 4.360 4.320 0.009 0.000 0.215 213 A C 2.084 179.750 177.584 0.138 0.000 1.181 213 A CA 1.125 53.261 52.037 0.166 0.000 0.620 213 A CB -0.709 18.370 19.000 0.132 0.000 0.821 213 A HN 0.414 nan 8.150 nan 0.000 0.443 214 L N -0.616 120.676 121.223 0.114 0.000 2.012 214 L HA -0.151 4.195 4.340 0.009 0.000 0.210 214 L C 2.192 179.099 176.870 0.062 0.000 1.073 214 L CA 2.256 57.141 54.840 0.075 0.000 0.748 214 L CB -0.679 41.414 42.059 0.056 0.000 0.891 214 L HN 0.327 nan 8.230 nan 0.000 0.431 215 L N -1.837 119.425 121.223 0.065 0.000 2.109 215 L HA -0.092 4.254 4.340 0.009 0.000 0.207 215 L C 2.202 179.142 176.870 0.116 0.000 1.086 215 L CA 1.554 56.397 54.840 0.005 0.000 0.760 215 L CB -0.850 41.194 42.059 -0.024 0.000 0.910 215 L HN 0.275 nan 8.230 nan 0.000 0.437 216 F N 0.139 120.108 119.950 0.032 0.000 2.293 216 F HA 0.070 4.602 4.527 0.009 0.000 0.297 216 F C 2.374 178.203 175.800 0.048 0.000 1.089 216 F CA 0.529 58.564 58.000 0.058 0.000 1.377 216 F CB -0.937 38.094 39.000 0.053 0.000 1.051 216 F HN 0.179 nan 8.300 nan 0.000 0.511 217 A N 0.200 123.154 122.820 0.225 0.000 1.883 217 A HA -0.247 4.078 4.320 0.009 0.000 0.217 217 A C 2.340 180.004 177.584 0.133 0.000 1.186 217 A CA 2.034 54.140 52.037 0.115 0.000 0.624 217 A CB -0.771 18.279 19.000 0.082 0.000 0.822 217 A HN 0.374 nan 8.150 nan 0.000 0.444 218 M N -1.993 117.690 119.600 0.139 0.000 2.065 218 M HA -0.196 4.289 4.480 0.009 0.000 0.259 218 M C 2.330 178.743 176.300 0.188 0.000 1.069 218 M CA 2.231 57.625 55.300 0.158 0.000 1.110 218 M CB -0.546 31.989 32.600 -0.108 0.000 1.328 218 M HN 0.713 nan 8.290 nan 0.000 0.405 219 H N -0.209 118.899 119.070 0.063 0.000 2.333 219 H HA 0.003 4.564 4.556 0.009 0.000 0.302 219 H C 1.972 177.380 175.328 0.133 0.000 1.075 219 H CA 2.047 58.131 56.048 0.060 0.000 1.348 219 H CB -0.628 29.126 29.762 -0.013 0.000 1.393 219 H HN 0.306 nan 8.280 nan 0.000 0.509 220 G N 0.106 108.993 108.800 0.145 0.000 2.446 220 G HA2 -0.299 3.667 3.960 0.009 0.000 0.217 220 G HA3 -0.299 3.667 3.960 0.009 0.000 0.217 220 G C 1.913 176.754 174.900 -0.099 0.000 1.168 220 G CA 1.204 46.290 45.100 -0.024 0.000 0.771 220 G HN 0.619 nan 8.290 nan 0.000 0.551 221 A N 0.033 122.826 122.820 -0.044 0.000 1.898 221 A HA 0.010 4.335 4.320 0.009 0.000 0.216 221 A C 2.538 180.055 177.584 -0.112 0.000 1.181 221 A CA 2.433 54.423 52.037 -0.078 0.000 0.620 221 A CB -0.927 18.050 19.000 -0.039 0.000 0.819 221 A HN 0.304 nan 8.150 nan 0.000 0.442 222 T N 0.531 115.049 114.554 -0.059 0.000 2.674 222 T HA -0.108 4.247 4.350 0.009 0.000 0.265 222 T C 1.806 176.447 174.700 -0.099 0.000 1.039 222 T CA 1.494 63.556 62.100 -0.062 0.000 1.150 222 T CB -0.287 68.678 68.868 0.161 0.000 0.864 222 T HN 0.292 nan 8.240 nan 0.000 0.427 223 I N 1.156 121.631 120.570 -0.158 0.000 2.226 223 I HA -0.071 4.104 4.170 0.009 0.000 0.245 223 I C 2.344 178.391 176.117 -0.117 0.000 1.100 223 I CA 1.213 62.424 61.300 -0.148 0.000 1.374 223 I CB -1.269 36.583 38.000 -0.247 0.000 1.057 223 I HN 0.280 nan 8.210 nan 0.000 0.413 224 L N 0.593 121.729 121.223 -0.144 0.000 2.083 224 L HA -0.165 4.180 4.340 0.009 0.000 0.209 224 L C 2.756 179.544 176.870 -0.136 0.000 1.083 224 L CA 1.275 56.025 54.840 -0.150 0.000 0.752 224 L CB -0.711 41.241 42.059 -0.178 0.000 0.899 224 L HN 0.178 nan 8.230 nan 0.000 0.433 225 A N -0.019 122.722 122.820 -0.133 0.000 2.019 225 A HA -0.118 4.207 4.320 0.009 0.000 0.219 225 A C 1.916 179.476 177.584 -0.039 0.000 1.164 225 A CA 1.764 53.728 52.037 -0.121 0.000 0.644 225 A CB -0.548 18.341 19.000 -0.185 0.000 0.805 225 A HN 0.366 nan 8.150 nan 0.000 0.449 226 V N -2.035 117.887 119.914 0.013 0.000 3.376 226 V HA 0.147 4.272 4.120 0.009 0.000 0.313 226 V C 1.536 177.690 176.094 0.100 0.000 1.393 226 V CA 0.868 63.282 62.300 0.191 0.000 1.125 226 V CB -0.667 31.290 31.823 0.223 0.000 1.037 226 V HN 0.538 nan 8.190 nan 0.000 0.440 227 S N 2.231 117.906 115.700 -0.041 0.000 2.447 227 S HA -0.197 4.278 4.470 0.009 0.000 0.233 227 S C 1.922 176.447 174.600 -0.124 0.000 1.006 227 S CA 1.130 59.293 58.200 -0.063 0.000 0.957 227 S CB -0.685 62.464 63.200 -0.084 0.000 0.773 227 S HN 0.871 nan 8.310 nan 0.000 0.507 228 R N 0.301 120.628 120.500 -0.288 0.000 2.339 228 R HA 0.109 4.454 4.340 0.009 0.000 0.199 228 R C 0.119 176.027 176.300 -0.653 0.000 1.018 228 R CA 0.780 56.593 56.100 -0.478 0.000 1.036 228 R CB -0.670 29.246 30.300 -0.641 0.000 0.899 228 R HN 0.567 nan 8.270 nan 0.000 0.473 229 F N 0.055 120.000 119.950 -0.010 0.000 2.764 229 F HA 0.456 4.989 4.527 0.009 0.000 0.310 229 F C 1.033 176.829 175.800 -0.006 0.000 1.124 229 F CA -0.286 57.710 58.000 -0.007 0.000 1.252 229 F CB 1.328 40.321 39.000 -0.010 0.000 1.010 229 F HN 0.151 nan 8.300 nan 0.000 0.518 230 G N 0.736 109.590 108.800 0.090 0.000 2.176 230 G HA2 -0.287 3.678 3.960 0.009 0.000 0.252 230 G HA3 -0.287 3.678 3.960 0.009 0.000 0.252 230 G C 1.381 176.321 174.900 0.066 0.000 1.024 230 G CA 0.211 45.347 45.100 0.061 0.000 0.755 230 G HN 0.689 nan 8.290 nan 0.000 0.507 231 G N 0.979 109.829 108.800 0.083 0.000 2.475 231 G HA2 -0.140 3.825 3.960 0.009 0.000 0.220 231 G HA3 -0.140 3.825 3.960 0.009 0.000 0.220 231 G C 1.473 176.399 174.900 0.043 0.000 1.125 231 G CA 1.562 46.707 45.100 0.074 0.000 0.755 231 G HN 0.894 nan 8.290 nan 0.000 0.565 232 E N 0.909 121.118 120.200 0.016 0.000 2.427 232 E HA -0.056 4.299 4.350 0.009 0.000 0.196 232 E C 0.984 177.593 176.600 0.016 0.000 1.028 232 E CA -0.013 56.391 56.400 0.007 0.000 0.864 232 E CB -0.194 29.491 29.700 -0.025 0.000 0.813 232 E HN 0.305 nan 8.360 nan 0.000 0.514 233 R N 1.648 122.159 120.500 0.019 0.000 4.164 233 R HA 0.125 4.471 4.340 0.009 0.000 0.195 233 R C 0.791 177.103 176.300 0.020 0.000 1.712 233 R CA 0.002 56.109 56.100 0.012 0.000 1.457 233 R CB 0.058 30.365 30.300 0.012 0.000 1.387 233 R HN 0.264 nan 8.270 nan 0.000 0.785 234 E N 0.667 120.880 120.200 0.021 0.000 2.152 234 E HA -0.159 4.196 4.350 0.009 0.000 0.192 234 E C 1.325 177.929 176.600 0.007 0.000 0.983 234 E CA 0.883 57.309 56.400 0.043 0.000 0.818 234 E CB 0.107 29.850 29.700 0.071 0.000 0.758 234 E HN 0.466 nan 8.360 nan 0.000 0.467 235 L N 0.738 121.944 121.223 -0.029 0.000 2.017 235 L HA -0.198 4.148 4.340 0.009 0.000 0.208 235 L C 2.548 179.410 176.870 -0.013 0.000 1.073 235 L CA 1.185 56.003 54.840 -0.037 0.000 0.745 235 L CB -0.199 41.828 42.059 -0.052 0.000 0.894 235 L HN 0.074 nan 8.230 nan 0.000 0.432 236 E N -0.426 119.771 120.200 -0.005 0.000 2.204 236 E HA -0.190 4.165 4.350 0.009 0.000 0.194 236 E C 2.236 178.844 176.600 0.013 0.000 0.989 236 E CA 0.856 57.258 56.400 0.003 0.000 0.824 236 E CB 0.100 29.803 29.700 0.004 0.000 0.756 236 E HN 0.319 nan 8.360 nan 0.000 0.477 237 Q N -0.238 119.576 119.800 0.023 0.000 2.167 237 Q HA -0.085 4.260 4.340 0.009 0.000 0.202 237 Q C 2.286 178.306 176.000 0.034 0.000 0.970 237 Q CA 0.948 56.770 55.803 0.033 0.000 0.855 237 Q CB -0.016 28.752 28.738 0.049 0.000 0.911 237 Q HN 0.441 nan 8.270 nan 0.000 0.438 238 I N 0.526 121.115 120.570 0.032 0.000 2.202 238 I HA -0.234 3.941 4.170 0.009 0.000 0.242 238 I C 2.287 178.416 176.117 0.020 0.000 1.091 238 I CA 1.128 62.447 61.300 0.030 0.000 1.368 238 I CB -0.300 37.712 38.000 0.020 0.000 1.058 238 I HN 0.048 nan 8.210 nan 0.000 0.410 239 A N -0.897 121.930 122.820 0.012 0.000 2.014 239 A HA -0.145 4.180 4.320 0.009 0.000 0.218 239 A C 0.818 178.408 177.584 0.011 0.000 1.163 239 A CA 1.434 53.476 52.037 0.008 0.000 0.652 239 A CB -0.071 18.930 19.000 0.002 0.000 0.808 239 A HN 0.422 nan 8.150 nan 0.000 0.449 240 D N -1.278 119.130 120.400 0.013 0.000 2.752 240 D HA 0.109 4.754 4.640 0.009 0.000 0.242 240 D C -0.382 175.926 176.300 0.014 0.000 1.295 240 D CA -0.440 53.567 54.000 0.012 0.000 0.846 240 D CB -0.125 40.681 40.800 0.010 0.000 1.454 240 D HN 0.243 nan 8.370 nan 0.000 0.535 241 R N 0.954 121.463 120.500 0.015 0.000 2.500 241 R HA 0.307 4.652 4.340 0.009 0.000 0.281 241 R C 0.339 176.642 176.300 0.004 0.000 0.953 241 R CA 0.820 56.928 56.100 0.013 0.000 1.108 241 R CB 0.266 30.573 30.300 0.012 0.000 0.901 241 R HN 0.376 nan 8.270 nan 0.000 0.410 242 G N 0.812 109.613 108.800 0.001 0.000 2.667 242 G HA2 0.107 4.072 3.960 0.009 0.000 0.310 242 G HA3 0.107 4.072 3.960 0.009 0.000 0.310 242 G C 0.448 175.317 174.900 -0.051 0.000 1.259 242 G CA -0.327 44.767 45.100 -0.010 0.000 1.019 242 G HN 0.581 nan 8.290 nan 0.000 0.496 243 T N -0.311 114.188 114.554 -0.093 0.000 2.881 243 T HA -0.059 4.296 4.350 0.009 0.000 0.270 243 T C 2.597 177.111 174.700 -0.310 0.000 1.068 243 T CA 2.346 64.314 62.100 -0.220 0.000 1.131 243 T CB -0.527 68.157 68.868 -0.306 0.000 0.871 243 T HN 0.662 nan 8.240 nan 0.000 0.479 244 A N 1.208 123.926 122.820 -0.169 0.000 1.873 244 A HA 0.084 4.409 4.320 0.009 0.000 0.218 244 A C 2.726 180.286 177.584 -0.041 0.000 1.193 244 A CA 2.216 54.227 52.037 -0.043 0.000 0.629 244 A CB -1.411 17.663 19.000 0.123 0.000 0.826 244 A HN 0.642 nan 8.150 nan 0.000 0.447 245 A N -0.549 122.261 122.820 -0.018 0.000 1.933 245 A HA -0.160 4.165 4.320 0.009 0.000 0.218 245 A C 1.940 179.506 177.584 -0.029 0.000 1.175 245 A CA 1.662 53.702 52.037 0.005 0.000 0.628 245 A CB -0.492 18.521 19.000 0.022 0.000 0.814 245 A HN 0.672 nan 8.150 nan 0.000 0.444 246 E N -0.550 119.603 120.200 -0.077 0.000 2.072 246 E HA -0.138 4.217 4.350 0.009 0.000 0.190 246 E C 2.332 178.835 176.600 -0.161 0.000 0.982 246 E CA 0.911 57.249 56.400 -0.104 0.000 0.803 246 E CB -0.152 29.481 29.700 -0.111 0.000 0.755 246 E HN 0.548 nan 8.360 nan 0.000 0.453 247 R N 0.718 121.095 120.500 -0.204 0.000 2.092 247 R HA -0.054 4.291 4.340 0.009 0.000 0.231 247 R C 2.404 178.615 176.300 -0.149 0.000 1.119 247 R CA 1.002 56.962 56.100 -0.233 0.000 0.970 247 R CB -0.305 29.827 30.300 -0.280 0.000 0.864 247 R HN 0.086 nan 8.270 nan 0.000 0.440 248 A N 1.588 124.370 122.820 -0.063 0.000 1.865 248 A HA -0.191 4.134 4.320 0.009 0.000 0.217 248 A C 2.425 180.078 177.584 0.116 0.000 1.191 248 A CA 1.922 53.983 52.037 0.040 0.000 0.623 248 A CB -0.889 18.161 19.000 0.083 0.000 0.826 248 A HN 0.400 nan 8.150 nan 0.000 0.444 249 A N -0.575 122.274 122.820 0.048 0.000 1.908 249 A HA -0.074 4.251 4.320 0.009 0.000 0.218 249 A C 2.191 179.737 177.584 -0.064 0.000 1.181 249 A CA 1.661 53.725 52.037 0.045 0.000 0.627 249 A CB -0.609 18.394 19.000 0.005 0.000 0.818 249 A HN 0.487 nan 8.150 nan 0.000 0.445 250 L N -2.235 118.832 121.223 -0.260 0.000 2.156 250 L HA -0.061 4.284 4.340 0.009 0.000 0.208 250 L C 2.386 178.799 176.870 -0.761 0.000 1.095 250 L CA 0.992 55.441 54.840 -0.652 0.000 0.770 250 L CB -0.465 41.023 42.059 -0.951 0.000 0.914 250 L HN 0.513 nan 8.230 nan 0.000 0.439 251 F N 0.143 119.740 119.950 -0.588 0.000 2.091 251 F HA -0.287 4.245 4.527 0.009 0.000 0.299 251 F C 1.933 177.425 175.800 -0.513 0.000 1.103 251 F CA 1.824 59.488 58.000 -0.560 0.000 1.228 251 F CB -0.353 38.267 39.000 -0.633 0.000 0.984 251 F HN -0.008 nan 8.300 nan 0.000 0.477 252 W N 0.182 121.433 121.300 -0.081 0.000 2.453 252 W HA 0.046 4.711 4.660 0.009 0.000 0.289 252 W C 2.766 179.150 176.519 -0.225 0.000 1.215 252 W CA 0.933 58.183 57.345 -0.157 0.000 1.297 252 W CB -0.465 28.922 29.460 -0.122 0.000 1.113 252 W HN -0.134 nan 8.180 nan 0.000 0.551 253 R N -0.150 120.347 120.500 -0.005 0.000 2.073 253 R HA -0.191 4.155 4.340 0.009 0.000 0.234 253 R C 1.934 178.320 176.300 0.143 0.000 1.134 253 R CA 2.140 58.269 56.100 0.048 0.000 0.952 253 R CB -0.689 29.628 30.300 0.028 0.000 0.850 253 R HN 0.111 nan 8.270 nan 0.000 0.433 254 W N 0.222 121.443 121.300 -0.132 0.000 2.425 254 W HA -0.012 4.653 4.660 0.009 0.000 0.277 254 W C 2.085 178.470 176.519 -0.224 0.000 1.231 254 W CA 0.958 58.201 57.345 -0.170 0.000 1.248 254 W CB -1.048 28.290 29.460 -0.204 0.000 1.117 254 W HN 0.156 nan 8.180 nan 0.000 0.568 255 T N 0.585 115.052 114.554 -0.144 0.000 2.781 255 T HA -0.091 4.265 4.350 0.009 0.000 0.252 255 T C 1.714 176.407 174.700 -0.012 0.000 1.039 255 T CA 1.775 63.747 62.100 -0.214 0.000 1.147 255 T CB -0.275 68.266 68.868 -0.545 0.000 0.865 255 T HN 0.196 nan 8.240 nan 0.000 0.423 256 M N -0.674 118.966 119.600 0.067 0.000 2.306 256 M HA 0.578 5.063 4.480 0.009 0.000 0.292 256 M C 1.285 177.728 176.300 0.239 0.000 1.018 256 M CA 0.324 55.713 55.300 0.147 0.000 1.007 256 M CB 0.961 33.657 32.600 0.160 0.000 1.510 256 M HN 0.314 nan 8.290 nan 0.000 0.537 257 G N 2.115 111.034 108.800 0.199 0.000 2.176 257 G HA2 -0.268 3.697 3.960 0.009 0.000 0.253 257 G HA3 -0.268 3.697 3.960 0.009 0.000 0.253 257 G C -0.220 174.901 174.900 0.369 0.000 0.979 257 G CA 0.522 45.772 45.100 0.250 0.000 0.641 257 G HN 0.837 nan 8.290 nan 0.000 0.530 258 F N -0.392 119.612 119.950 0.091 0.000 2.745 258 F HA 0.788 5.320 4.527 0.009 0.000 0.316 258 F C -0.760 175.096 175.800 0.093 0.000 1.155 258 F CA -1.364 56.686 58.000 0.082 0.000 0.937 258 F CB 0.618 39.656 39.000 0.064 0.000 1.361 258 F HN 0.519 nan 8.300 nan 0.000 0.472 259 N N 0.383 119.070 118.700 -0.021 0.000 3.277 259 N HA 0.800 5.545 4.740 0.009 0.000 0.278 259 N C -1.862 173.666 175.510 0.030 0.000 1.544 259 N CA -0.663 52.329 53.050 -0.097 0.000 0.869 259 N CB 1.510 40.015 38.487 0.030 0.000 1.584 259 N HN 1.030 nan 8.380 nan 0.000 0.564 260 A N -0.742 122.086 122.820 0.013 0.000 2.392 260 A HA 0.886 5.212 4.320 0.009 0.000 0.283 260 A C -0.308 177.332 177.584 0.094 0.000 1.197 260 A CA -0.138 51.955 52.037 0.095 0.000 0.895 260 A CB 0.566 19.585 19.000 0.030 0.000 1.400 260 A HN 0.964 nan 8.150 nan 0.000 0.461 261 T N -3.130 111.488 114.554 0.107 0.000 2.949 261 T HA 0.445 4.800 4.350 0.009 0.000 0.287 261 T C 0.890 175.646 174.700 0.093 0.000 1.034 261 T CA -0.195 61.959 62.100 0.090 0.000 1.018 261 T CB 0.976 69.897 68.868 0.088 0.000 1.135 261 T HN 0.455 nan 8.240 nan 0.000 0.532 262 M N 0.407 120.069 119.600 0.104 0.000 2.149 262 M HA -0.026 4.459 4.480 0.009 0.000 0.261 262 M C 2.114 178.547 176.300 0.222 0.000 1.064 262 M CA 1.753 57.146 55.300 0.154 0.000 1.102 262 M CB -0.832 31.847 32.600 0.132 0.000 1.369 262 M HN 0.911 nan 8.290 nan 0.000 0.408 263 E N -1.458 118.837 120.200 0.158 0.000 2.051 263 E HA -0.076 4.280 4.350 0.009 0.000 0.189 263 E C 1.934 178.635 176.600 0.169 0.000 0.979 263 E CA 1.048 57.548 56.400 0.167 0.000 0.803 263 E CB -0.479 29.271 29.700 0.083 0.000 0.761 263 E HN 0.585 nan 8.360 nan 0.000 0.451 264 G N 1.211 110.081 108.800 0.117 0.000 2.443 264 G HA2 -0.229 3.737 3.960 0.009 0.000 0.219 264 G HA3 -0.229 3.737 3.960 0.009 0.000 0.219 264 G C 1.491 176.474 174.900 0.138 0.000 1.131 264 G CA 0.512 45.676 45.100 0.107 0.000 0.775 264 G HN 0.301 nan 8.290 nan 0.000 0.547 265 I N 0.635 121.232 120.570 0.046 0.000 2.454 265 I HA -0.085 4.090 4.170 0.009 0.000 0.254 265 I C 2.250 178.176 176.117 -0.318 0.000 1.156 265 I CA 1.009 62.235 61.300 -0.123 0.000 1.433 265 I CB -0.301 37.471 38.000 -0.380 0.000 1.082 265 I HN 0.290 nan 8.210 nan 0.000 0.432 266 H N -0.592 118.422 119.070 -0.094 0.000 2.502 266 H HA 0.095 4.657 4.556 0.009 0.000 0.283 266 H C 2.226 177.523 175.328 -0.052 0.000 1.015 266 H CA 0.849 56.815 56.048 -0.137 0.000 1.298 266 H CB -0.034 29.644 29.762 -0.140 0.000 1.411 266 H HN 0.260 nan 8.280 nan 0.000 0.556 267 R N -0.359 120.198 120.500 0.094 0.000 2.073 267 R HA -0.118 4.227 4.340 0.009 0.000 0.229 267 R C 1.571 177.978 176.300 0.178 0.000 1.120 267 R CA 1.281 57.460 56.100 0.131 0.000 0.967 267 R CB -0.374 29.973 30.300 0.078 0.000 0.862 267 R HN 0.375 nan 8.270 nan 0.000 0.436 268 W N 1.277 122.618 121.300 0.069 0.000 2.318 268 W HA -0.233 4.433 4.660 0.009 0.000 0.313 268 W C 2.628 179.153 176.519 0.009 0.000 1.221 268 W CA 1.374 58.747 57.345 0.046 0.000 1.266 268 W CB -0.382 29.048 29.460 -0.051 0.000 1.150 268 W HN 0.204 nan 8.180 nan 0.000 0.496 269 A N 0.145 123.029 122.820 0.108 0.000 1.851 269 A HA -0.237 4.088 4.320 0.009 0.000 0.216 269 A C 1.932 179.491 177.584 -0.042 0.000 1.195 269 A CA 1.871 53.866 52.037 -0.070 0.000 0.622 269 A CB -1.127 17.709 19.000 -0.273 0.000 0.831 269 A HN 0.364 nan 8.150 nan 0.000 0.444 270 I N -2.217 118.322 120.570 -0.050 0.000 2.286 270 I HA -0.255 3.921 4.170 0.009 0.000 0.248 270 I C 2.262 178.304 176.117 -0.125 0.000 1.115 270 I CA 1.397 62.617 61.300 -0.134 0.000 1.392 270 I CB -0.091 37.803 38.000 -0.176 0.000 1.065 270 I HN 0.617 nan 8.210 nan 0.000 0.418 271 W N -0.208 121.107 121.300 0.026 0.000 2.443 271 W HA -0.170 4.495 4.660 0.009 0.000 0.296 271 W C 2.443 178.945 176.519 -0.029 0.000 1.202 271 W CA 0.678 58.020 57.345 -0.005 0.000 1.312 271 W CB -0.339 29.088 29.460 -0.056 0.000 1.120 271 W HN 0.116 nan 8.180 nan 0.000 0.536 272 M N 1.142 120.903 119.600 0.269 0.000 2.088 272 M HA -0.234 4.252 4.480 0.009 0.000 0.256 272 M C 2.077 178.470 176.300 0.155 0.000 1.071 272 M CA 2.587 58.030 55.300 0.238 0.000 1.097 272 M CB -0.921 31.833 32.600 0.257 0.000 1.315 272 M HN -0.021 nan 8.290 nan 0.000 0.406 273 A N -1.481 121.408 122.820 0.116 0.000 1.897 273 A HA -0.029 4.297 4.320 0.009 0.000 0.215 273 A C 2.184 179.893 177.584 0.210 0.000 1.181 273 A CA 1.575 53.689 52.037 0.129 0.000 0.620 273 A CB -1.137 17.867 19.000 0.006 0.000 0.821 273 A HN 0.377 nan 8.150 nan 0.000 0.443 274 V N 0.255 120.281 119.914 0.187 0.000 2.332 274 V HA -0.266 3.859 4.120 0.009 0.000 0.248 274 V C 2.487 178.651 176.094 0.116 0.000 1.055 274 V CA 2.042 64.461 62.300 0.200 0.000 1.038 274 V CB -0.673 31.127 31.823 -0.038 0.000 0.651 274 V HN 0.576 nan 8.190 nan 0.000 0.450 275 L N -0.791 120.427 121.223 -0.009 0.000 2.376 275 L HA -0.088 4.258 4.340 0.009 0.000 0.219 275 L C 2.323 179.175 176.870 -0.030 0.000 1.133 275 L CA 0.409 55.124 54.840 -0.210 0.000 0.816 275 L CB -0.463 41.024 42.059 -0.954 0.000 0.933 275 L HN 0.202 nan 8.230 nan 0.000 0.449 276 V N 0.095 120.085 119.914 0.127 0.000 2.233 276 V HA -0.328 3.797 4.120 0.009 0.000 0.247 276 V C 2.625 178.854 176.094 0.226 0.000 1.050 276 V CA 2.658 65.107 62.300 0.248 0.000 1.010 276 V CB -0.984 30.984 31.823 0.242 0.000 0.637 276 V HN 0.674 nan 8.190 nan 0.000 0.444 277 T N -2.420 112.268 114.554 0.223 0.000 3.054 277 T HA 0.018 4.374 4.350 0.009 0.000 0.259 277 T C 1.778 176.677 174.700 0.331 0.000 1.092 277 T CA 0.663 62.902 62.100 0.232 0.000 1.121 277 T CB -0.066 68.926 68.868 0.208 0.000 0.912 277 T HN 0.196 nan 8.240 nan 0.000 0.489 278 L N 3.021 124.417 121.223 0.289 0.000 1.988 278 L HA 0.015 4.360 4.340 0.009 0.000 0.207 278 L C 2.846 179.925 176.870 0.347 0.000 1.071 278 L CA 2.565 57.584 54.840 0.298 0.000 0.744 278 L CB -1.416 40.718 42.059 0.124 0.000 0.893 278 L HN 0.538 nan 8.230 nan 0.000 0.433 279 T N -3.465 111.270 114.554 0.302 0.000 2.788 279 T HA -0.086 4.270 4.350 0.009 0.000 0.268 279 T C 1.973 176.857 174.700 0.307 0.000 1.044 279 T CA 0.957 63.292 62.100 0.391 0.000 1.139 279 T CB -1.482 67.694 68.868 0.513 0.000 0.867 279 T HN 0.375 nan 8.240 nan 0.000 0.454 280 G N 1.590 110.543 108.800 0.255 0.000 2.480 280 G HA2 0.003 3.969 3.960 0.009 0.000 0.216 280 G HA3 0.003 3.969 3.960 0.009 0.000 0.216 280 G C 1.786 176.729 174.900 0.072 0.000 1.200 280 G CA 0.780 45.977 45.100 0.161 0.000 0.782 280 G HN 0.671 nan 8.290 nan 0.000 0.554 281 G N 0.876 109.703 108.800 0.044 0.000 2.442 281 G HA2 -0.191 3.775 3.960 0.009 0.000 0.219 281 G HA3 -0.191 3.775 3.960 0.009 0.000 0.219 281 G C 1.798 176.614 174.900 -0.140 0.000 1.141 281 G CA 0.915 45.809 45.100 -0.343 0.000 0.763 281 G HN 0.465 nan 8.290 nan 0.000 0.554 282 I N 1.166 121.845 120.570 0.181 0.000 2.179 282 I HA -0.082 4.093 4.170 0.009 0.000 0.242 282 I C 3.112 179.114 176.117 -0.192 0.000 1.088 282 I CA 1.050 62.326 61.300 -0.040 0.000 1.357 282 I CB -0.525 37.203 38.000 -0.452 0.000 1.051 282 I HN 0.236 nan 8.210 nan 0.000 0.409 283 G N 1.388 110.111 108.800 -0.129 0.000 2.440 283 G HA2 -0.205 3.760 3.960 0.009 0.000 0.218 283 G HA3 -0.205 3.760 3.960 0.009 0.000 0.218 283 G C 1.584 176.519 174.900 0.059 0.000 1.154 283 G CA 0.591 45.689 45.100 -0.003 0.000 0.767 283 G HN 0.188 nan 8.290 nan 0.000 0.552 284 I N 0.382 120.961 120.570 0.015 0.000 2.233 284 I HA -0.025 4.151 4.170 0.009 0.000 0.243 284 I C 2.604 178.762 176.117 0.069 0.000 1.093 284 I CA 0.558 61.876 61.300 0.030 0.000 1.380 284 I CB -1.145 36.789 38.000 -0.110 0.000 1.067 284 I HN 0.125 nan 8.210 nan 0.000 0.413 285 L N 0.913 122.120 121.223 -0.027 0.000 2.127 285 L HA -0.143 4.202 4.340 0.009 0.000 0.211 285 L C 2.249 179.156 176.870 0.061 0.000 1.089 285 L CA 1.736 56.569 54.840 -0.012 0.000 0.757 285 L CB -0.681 41.347 42.059 -0.052 0.000 0.899 285 L HN 0.143 nan 8.230 nan 0.000 0.434 286 L N -1.303 119.983 121.223 0.106 0.000 2.313 286 L HA -0.005 4.340 4.340 0.009 0.000 0.214 286 L C 0.892 177.846 176.870 0.139 0.000 1.119 286 L CA -0.009 54.917 54.840 0.143 0.000 0.809 286 L CB -0.378 41.827 42.059 0.244 0.000 0.933 286 L HN 0.053 nan 8.230 nan 0.000 0.449 287 S N 0.284 116.104 115.700 0.200 0.000 2.455 287 S HA 0.381 4.856 4.470 0.009 0.000 0.278 287 S C 1.110 175.664 174.600 -0.076 0.000 1.216 287 S CA 0.388 58.627 58.200 0.066 0.000 1.055 287 S CB 0.926 64.146 63.200 0.033 0.000 0.939 287 S HN 0.550 nan 8.310 nan 0.000 0.494 288 G N 3.078 111.873 108.800 -0.007 0.000 2.253 288 G HA2 -0.364 3.602 3.960 0.009 0.000 0.251 288 G HA3 -0.364 3.602 3.960 0.009 0.000 0.251 288 G C 1.044 175.952 174.900 0.014 0.000 0.998 288 G CA 0.902 46.049 45.100 0.080 0.000 0.621 288 G HN 0.816 nan 8.290 nan 0.000 0.524 289 T N -2.440 112.116 114.554 0.004 0.000 2.925 289 T HA 0.369 4.724 4.350 0.009 0.000 0.245 289 T C 2.122 176.812 174.700 -0.018 0.000 1.025 289 T CA 2.054 64.152 62.100 -0.003 0.000 1.149 289 T CB 0.033 68.909 68.868 0.013 0.000 0.866 289 T HN 0.588 nan 8.240 nan 0.000 0.437 290 V N 0.367 120.261 119.914 -0.033 0.000 3.151 290 V HA 0.371 4.497 4.120 0.009 0.000 0.241 290 V C 0.435 176.456 176.094 -0.121 0.000 1.173 290 V CA 0.022 62.295 62.300 -0.044 0.000 1.154 290 V CB 0.968 32.785 31.823 -0.010 0.000 0.898 290 V HN 0.343 nan 8.190 nan 0.000 0.473 291 V N 1.185 120.947 119.914 -0.253 0.000 2.407 291 V HA 0.391 4.517 4.120 0.009 0.000 0.291 291 V C 0.183 176.051 176.094 -0.377 0.000 1.018 291 V CA -0.405 61.608 62.300 -0.479 0.000 0.842 291 V CB 1.492 32.561 31.823 -1.258 0.000 0.996 291 V HN 0.276 nan 8.190 nan 0.000 0.426 292 D N 2.387 122.650 120.400 -0.229 0.000 2.277 292 D HA 0.025 4.670 4.640 0.009 0.000 0.208 292 D C 0.687 176.902 176.300 -0.143 0.000 0.962 292 D CA 1.073 54.993 54.000 -0.133 0.000 0.865 292 D CB 0.287 41.021 40.800 -0.110 0.000 0.939 292 D HN 0.504 nan 8.370 nan 0.000 0.510 293 N N -0.640 117.930 118.700 -0.216 0.000 2.616 293 N HA -0.012 4.733 4.740 0.009 0.000 0.281 293 N C -0.352 175.120 175.510 -0.063 0.000 1.145 293 N CA -0.395 52.607 53.050 -0.080 0.000 0.919 293 N CB 0.265 38.746 38.487 -0.010 0.000 1.509 293 N HN -0.134 nan 8.380 nan 0.000 0.537 294 W N 1.919 123.341 121.300 0.203 0.000 2.402 294 W HA -0.066 4.599 4.660 0.009 0.000 0.286 294 W C 1.823 178.513 176.519 0.285 0.000 1.221 294 W CA 0.501 58.011 57.345 0.275 0.000 1.257 294 W CB -0.256 29.367 29.460 0.271 0.000 1.120 294 W HN 0.680 nan 8.180 nan 0.000 0.551 295 Y N 0.686 121.094 120.300 0.179 0.000 2.128 295 Y HA -0.290 4.266 4.550 0.009 0.000 0.284 295 Y C 2.200 178.023 175.900 -0.127 0.000 1.154 295 Y CA 2.093 60.011 58.100 -0.303 0.000 1.149 295 Y CB -0.822 37.402 38.460 -0.394 0.000 0.976 295 Y HN -0.217 nan 8.280 nan 0.000 0.505 296 V N -0.676 119.213 119.914 -0.042 0.000 2.307 296 V HA -0.296 3.829 4.120 0.009 0.000 0.245 296 V C 2.108 178.143 176.094 -0.098 0.000 1.045 296 V CA 1.961 64.187 62.300 -0.124 0.000 1.024 296 V CB -1.130 30.687 31.823 -0.010 0.000 0.651 296 V HN 0.715 nan 8.190 nan 0.000 0.449 297 W N 1.447 122.663 121.300 -0.139 0.000 2.333 297 W HA -0.148 4.517 4.660 0.009 0.000 0.316 297 W C 2.364 178.865 176.519 -0.030 0.000 1.215 297 W CA 2.123 59.422 57.345 -0.077 0.000 1.278 297 W CB -0.776 28.624 29.460 -0.101 0.000 1.154 297 W HN 0.253 nan 8.180 nan 0.000 0.486 298 G N -0.272 108.681 108.800 0.255 0.000 2.475 298 G HA2 -0.302 3.664 3.960 0.009 0.000 0.220 298 G HA3 -0.302 3.664 3.960 0.009 0.000 0.220 298 G C 1.383 175.980 174.900 -0.505 0.000 1.125 298 G CA 1.017 46.118 45.100 0.002 0.000 0.755 298 G HN 0.312 nan 8.290 nan 0.000 0.565 299 Q N 0.011 119.502 119.800 -0.514 0.000 2.369 299 Q HA 0.009 4.354 4.340 0.009 0.000 0.206 299 Q C 1.895 177.584 176.000 -0.519 0.000 0.963 299 Q CA 0.791 56.276 55.803 -0.530 0.000 0.894 299 Q CB -0.127 28.312 28.738 -0.497 0.000 0.965 299 Q HN 0.645 nan 8.270 nan 0.000 0.475 300 N N -0.697 117.669 118.700 -0.556 0.000 2.324 300 N HA -0.037 4.708 4.740 0.009 0.000 0.192 300 N C -0.310 175.034 175.510 -0.276 0.000 1.046 300 N CA 0.335 53.146 53.050 -0.399 0.000 0.898 300 N CB 0.215 38.515 38.487 -0.313 0.000 1.079 300 N HN 0.172 nan 8.380 nan 0.000 0.456 301 H N -0.589 118.215 119.070 -0.444 0.000 2.623 301 H HA 0.720 5.281 4.556 0.009 0.000 0.299 301 H C 0.258 175.023 175.328 -0.938 0.000 1.052 301 H CA -0.678 54.834 56.048 -0.894 0.000 1.231 301 H CB 1.031 30.157 29.762 -1.059 0.000 1.389 301 H HN 0.397 nan 8.280 nan 0.000 0.469 302 G N 0.000 108.297 108.800 -0.838 0.000 5.446 302 G HA2 0.000 3.965 3.960 0.009 0.000 0.244 302 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 302 G CA 0.000 44.935 45.100 -0.274 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925