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 3cht_1_A DATA FIRST_RESID 24 DATA SEQUENCE GSATLGRLVR AWPRRAAVVN KADILDEWAD YDTLVPDYPL EIVPFAEHPL DATA SEQUENCE FLAAEPHQRQ RVLTGMWIGY NERVIATEQL IAEPAFDLVM HGVFPGSDDP DATA SEQUENCE LIRKSVQQAI VDESFHTYMH MLAIDRTREL RKISERPPQP ELVTYRRLRR DATA SEQUENCE VLADMPEQWE RDIAVLVWGA VAETCINALL ALLARDATIQ PMHSLITTLH DATA SEQUENCE LRDETAHGSI VVEVVRELYA RMNEQQRRAL VRCLPIALEA FAEQDLSALL DATA SEQUENCE LELNAAGIRG AEEIVGDLXX XXXXXRLVRD FSGARKMVEQ LGLDDAVDFD DATA SEQUENCE FPERPDWS 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 24 G HA2 0.000 nan 3.960 nan 0.000 0.244 24 G HA3 0.000 4.104 3.960 0.240 0.000 0.244 24 G C 0.000 174.908 174.900 0.013 0.000 0.946 24 G CA 0.000 45.107 45.100 0.012 0.000 0.502 25 S N -0.277 115.433 115.700 0.015 0.000 2.546 25 S HA 0.378 4.992 4.470 0.240 0.000 0.290 25 S C 1.743 176.353 174.600 0.017 0.000 1.262 25 S CA 0.855 59.065 58.200 0.017 0.000 1.083 25 S CB 0.590 63.802 63.200 0.019 0.000 0.859 25 S HN 1.804 nan 8.310 nan 0.000 0.495 26 A N 5.184 128.015 122.820 0.017 0.000 1.930 26 A HA 0.002 4.466 4.320 0.240 0.000 0.217 26 A C 2.271 179.868 177.584 0.023 0.000 1.175 26 A CA 1.936 53.984 52.037 0.018 0.000 0.627 26 A CB -1.370 17.640 19.000 0.017 0.000 0.815 26 A HN 0.853 nan 8.150 nan 0.000 0.443 27 T N 0.395 114.963 114.554 0.024 0.000 2.635 27 T HA -0.165 4.329 4.350 0.240 0.000 0.267 27 T C 1.759 176.479 174.700 0.034 0.000 1.040 27 T CA 1.675 63.793 62.100 0.030 0.000 1.156 27 T CB -0.358 68.528 68.868 0.030 0.000 0.863 27 T HN 0.212 nan 8.240 nan 0.000 0.430 28 L N 1.125 122.365 121.223 0.028 0.000 2.046 28 L HA 0.062 4.546 4.340 0.240 0.000 0.208 28 L C 2.739 179.622 176.870 0.021 0.000 1.077 28 L CA 1.743 56.596 54.840 0.023 0.000 0.747 28 L CB -1.467 40.600 42.059 0.014 0.000 0.896 28 L HN 0.376 nan 8.230 nan 0.000 0.432 29 G N -1.372 107.441 108.800 0.021 0.000 2.421 29 G HA2 -0.322 3.782 3.960 0.240 0.000 0.216 29 G HA3 -0.322 3.782 3.960 0.240 0.000 0.216 29 G C 1.846 176.766 174.900 0.033 0.000 1.171 29 G CA 0.820 45.933 45.100 0.021 0.000 0.775 29 G HN 0.303 nan 8.290 nan 0.000 0.543 30 R N -0.147 120.375 120.500 0.036 0.000 2.094 30 R HA -0.025 4.459 4.340 0.240 0.000 0.239 30 R C 2.651 178.989 176.300 0.063 0.000 1.137 30 R CA 1.474 57.601 56.100 0.045 0.000 0.943 30 R CB -0.421 29.903 30.300 0.041 0.000 0.850 30 R HN 0.399 nan 8.270 nan 0.000 0.433 31 L N -0.258 121.005 121.223 0.066 0.000 2.046 31 L HA -0.180 4.304 4.340 0.240 0.000 0.208 31 L C 2.445 179.384 176.870 0.115 0.000 1.077 31 L CA 0.988 55.885 54.840 0.094 0.000 0.747 31 L CB -0.390 41.720 42.059 0.086 0.000 0.896 31 L HN 0.109 nan 8.230 nan 0.000 0.432 32 V N -0.138 119.818 119.914 0.069 0.000 2.295 32 V HA -0.289 3.975 4.120 0.240 0.000 0.246 32 V C 2.635 178.801 176.094 0.119 0.000 1.049 32 V CA 1.792 64.126 62.300 0.056 0.000 1.024 32 V CB -0.577 31.246 31.823 -0.000 0.000 0.648 32 V HN 0.412 nan 8.190 nan 0.000 0.447 33 R N -0.132 120.424 120.500 0.094 0.000 2.115 33 R HA -0.058 4.426 4.340 0.240 0.000 0.230 33 R C 2.241 178.610 176.300 0.115 0.000 1.111 33 R CA 1.357 57.514 56.100 0.094 0.000 0.976 33 R CB -0.427 29.910 30.300 0.061 0.000 0.870 33 R HN 0.535 nan 8.270 nan 0.000 0.445 34 A N -0.097 122.797 122.820 0.124 0.000 2.123 34 A HA -0.124 4.340 4.320 0.240 0.000 0.214 34 A C 1.670 179.340 177.584 0.143 0.000 1.152 34 A CA 0.189 52.291 52.037 0.108 0.000 0.728 34 A CB -0.555 18.501 19.000 0.093 0.000 0.814 34 A HN 0.553 nan 8.150 nan 0.000 0.464 35 W N 1.973 123.281 121.300 0.014 0.000 2.318 35 W HA -0.166 4.636 4.660 0.237 0.000 0.313 35 W C -1.266 175.255 176.519 0.003 0.000 1.221 35 W CA 2.708 60.062 57.345 0.015 0.000 1.266 35 W CB -1.174 28.292 29.460 0.009 0.000 1.150 35 W HN 0.271 nan 8.180 nan 0.000 0.496 36 P HA -0.203 nan 4.420 nan 0.000 0.218 36 P C 1.172 178.310 177.300 -0.269 0.000 1.148 36 P CA 2.726 65.613 63.100 -0.354 0.000 0.822 36 P CB -0.411 31.229 31.700 -0.100 0.000 0.784 37 R N -0.696 119.724 120.500 -0.134 0.000 2.240 37 R HA 0.093 4.577 4.340 0.240 0.000 0.203 37 R C 2.184 178.420 176.300 -0.106 0.000 1.011 37 R CA 0.696 56.737 56.100 -0.099 0.000 1.007 37 R CB -0.357 29.919 30.300 -0.040 0.000 0.911 37 R HN 0.081 nan 8.270 nan 0.000 0.468 38 R N 0.858 121.281 120.500 -0.128 0.000 2.191 38 R HA 0.260 4.744 4.340 0.240 0.000 0.196 38 R C 0.019 176.245 176.300 -0.124 0.000 0.991 38 R CA 0.566 56.619 56.100 -0.079 0.000 1.075 38 R CB 0.329 30.631 30.300 0.004 0.000 1.040 38 R HN 0.210 nan 8.270 nan 0.000 0.526 39 A N 0.807 123.444 122.820 -0.305 0.000 2.511 39 A HA 0.354 4.818 4.320 0.240 0.000 0.242 39 A C 1.208 178.671 177.584 -0.202 0.000 1.069 39 A CA 0.637 52.497 52.037 -0.295 0.000 0.763 39 A CB 0.590 19.135 19.000 -0.758 0.000 1.001 39 A HN 0.501 nan 8.150 nan 0.000 0.498 40 A N 2.679 125.489 122.820 -0.017 0.000 1.908 40 A HA -0.085 4.379 4.320 0.240 0.000 0.218 40 A C 2.128 179.496 177.584 -0.360 0.000 1.181 40 A CA 1.966 54.029 52.037 0.045 0.000 0.627 40 A CB -1.003 18.253 19.000 0.426 0.000 0.818 40 A HN 1.529 nan 8.150 nan 0.000 0.445 41 V N -0.223 119.245 119.914 -0.745 0.000 2.469 41 V HA -0.209 4.055 4.120 0.240 0.000 0.251 41 V C 2.358 178.043 176.094 -0.682 0.000 1.064 41 V CA 2.418 63.939 62.300 -1.298 0.000 1.066 41 V CB -0.294 31.045 31.823 -0.806 0.000 0.667 41 V HN 0.355 nan 8.190 nan 0.000 0.461 42 V N 0.407 120.020 119.914 -0.501 0.000 2.446 42 V HA -0.067 4.197 4.120 0.240 0.000 0.244 42 V C 1.970 177.911 176.094 -0.256 0.000 1.039 42 V CA 2.076 64.148 62.300 -0.380 0.000 1.045 42 V CB -0.648 30.904 31.823 -0.452 0.000 0.681 42 V HN 0.609 nan 8.190 nan 0.000 0.459 43 N N -0.251 118.317 118.700 -0.220 0.000 2.299 43 N HA 0.061 4.945 4.740 0.240 0.000 0.187 43 N C 0.828 176.305 175.510 -0.054 0.000 1.099 43 N CA 0.262 53.240 53.050 -0.120 0.000 0.867 43 N CB 0.618 39.044 38.487 -0.102 0.000 0.974 43 N HN 0.212 nan 8.380 nan 0.000 0.477 44 K N 0.561 120.934 120.400 -0.046 0.000 3.413 44 K HA 0.327 4.791 4.320 0.240 0.000 0.180 44 K C 0.229 176.933 176.600 0.174 0.000 1.038 44 K CA -0.154 56.179 56.287 0.077 0.000 0.864 44 K CB 0.351 32.939 32.500 0.145 0.000 0.739 44 K HN -0.067 nan 8.250 nan 0.000 0.477 45 A N 0.844 123.677 122.820 0.023 0.000 2.024 45 A HA -0.158 4.306 4.320 0.240 0.000 0.220 45 A C 1.008 178.766 177.584 0.289 0.000 1.164 45 A CA 1.883 53.980 52.037 0.100 0.000 0.643 45 A CB -0.275 18.691 19.000 -0.057 0.000 0.806 45 A HN 0.440 nan 8.150 nan 0.000 0.451 46 D N -0.359 120.163 120.400 0.203 0.000 2.519 46 D HA 0.067 4.851 4.640 0.240 0.000 0.238 46 D C 0.903 177.349 176.300 0.243 0.000 1.192 46 D CA -0.347 53.775 54.000 0.204 0.000 0.835 46 D CB -0.522 40.354 40.800 0.126 0.000 0.975 46 D HN 0.312 nan 8.370 nan 0.000 0.490 47 I N 0.128 120.897 120.570 0.331 0.000 2.335 47 I HA -0.237 4.077 4.170 0.240 0.000 0.251 47 I C 1.840 178.172 176.117 0.359 0.000 1.129 47 I CA 0.715 62.201 61.300 0.309 0.000 1.402 47 I CB -0.103 38.089 38.000 0.320 0.000 1.069 47 I HN 0.145 nan 8.210 nan 0.000 0.424 48 L N 0.640 122.062 121.223 0.331 0.000 2.043 48 L HA -0.256 4.228 4.340 0.240 0.000 0.212 48 L C 1.729 178.808 176.870 0.348 0.000 1.075 48 L CA 2.048 57.065 54.840 0.295 0.000 0.752 48 L CB -1.146 41.034 42.059 0.201 0.000 0.891 48 L HN 0.267 nan 8.230 nan 0.000 0.432 49 D N -0.512 120.042 120.400 0.256 0.000 2.378 49 D HA -0.114 4.670 4.640 0.240 0.000 0.222 49 D C 1.871 178.292 176.300 0.202 0.000 0.980 49 D CA 0.455 54.578 54.000 0.204 0.000 0.907 49 D CB -0.085 40.799 40.800 0.140 0.000 0.899 49 D HN 0.424 nan 8.370 nan 0.000 0.527 50 E N -0.616 119.714 120.200 0.217 0.000 2.409 50 E HA -0.097 4.397 4.350 0.240 0.000 0.198 50 E C 1.279 177.848 176.600 -0.050 0.000 1.024 50 E CA 0.239 56.653 56.400 0.025 0.000 0.861 50 E CB -0.099 29.526 29.700 -0.126 0.000 0.788 50 E HN 0.568 nan 8.360 nan 0.000 0.521 51 W N 0.360 121.704 121.300 0.073 0.000 3.345 51 W HA 0.224 5.023 4.660 0.232 0.000 0.282 51 W C 1.751 178.327 176.519 0.095 0.000 1.302 51 W CA 0.150 57.552 57.345 0.095 0.000 1.724 51 W CB -0.059 29.431 29.460 0.049 0.000 1.104 51 W HN 0.047 nan 8.180 nan 0.000 0.694 52 A N 1.587 124.539 122.820 0.219 0.000 1.903 52 A HA -0.250 4.214 4.320 0.240 0.000 0.219 52 A C 0.827 178.493 177.584 0.137 0.000 1.191 52 A CA 2.320 54.450 52.037 0.154 0.000 0.638 52 A CB -0.744 18.317 19.000 0.102 0.000 0.823 52 A HN 0.299 nan 8.150 nan 0.000 0.451 53 D N -2.895 117.573 120.400 0.113 0.000 2.943 53 D HA 0.315 5.099 4.640 0.240 0.000 0.347 53 D C -0.294 176.067 176.300 0.102 0.000 1.305 53 D CA -0.627 53.428 54.000 0.091 0.000 0.870 53 D CB -0.814 40.008 40.800 0.037 0.000 1.081 53 D HN 0.416 nan 8.370 nan 0.000 0.492 54 Y N 1.339 121.664 120.300 0.043 0.000 2.811 54 Y HA 0.123 4.815 4.550 0.237 0.000 0.334 54 Y C -0.010 175.897 175.900 0.012 0.000 1.247 54 Y CA 0.452 58.577 58.100 0.041 0.000 1.526 54 Y CB 0.716 39.252 38.460 0.126 0.000 1.284 54 Y HN 0.132 nan 8.280 nan 0.000 0.586 55 D N 4.501 124.496 120.400 -0.676 0.000 2.461 55 D HA 0.126 4.910 4.640 0.240 0.000 0.240 55 D C 0.567 176.402 176.300 -0.775 0.000 1.094 55 D CA -0.195 53.484 54.000 -0.535 0.000 0.868 55 D CB 1.200 41.804 40.800 -0.327 0.000 1.062 55 D HN 0.786 nan 8.370 nan 0.000 0.530 56 T N 2.225 116.466 114.554 -0.521 0.000 2.897 56 T HA -0.117 4.377 4.350 0.240 0.000 0.271 56 T C 1.933 176.545 174.700 -0.147 0.000 1.084 56 T CA 0.454 62.418 62.100 -0.228 0.000 1.123 56 T CB 0.175 69.070 68.868 0.045 0.000 0.865 56 T HN 0.419 nan 8.240 nan 0.000 0.496 57 L N 0.874 122.002 121.223 -0.159 0.000 2.478 57 L HA 0.127 4.611 4.340 0.240 0.000 0.223 57 L C 0.466 177.271 176.870 -0.108 0.000 1.140 57 L CA 0.355 55.136 54.840 -0.098 0.000 0.842 57 L CB -0.244 41.765 42.059 -0.082 0.000 0.953 57 L HN 0.206 nan 8.230 nan 0.000 0.452 58 V N 1.562 121.372 119.914 -0.172 0.000 2.439 58 V HA 0.267 4.531 4.120 0.240 0.000 0.282 58 V C -1.842 174.170 176.094 -0.137 0.000 1.039 58 V CA -1.522 60.677 62.300 -0.168 0.000 0.913 58 V CB 1.436 33.118 31.823 -0.235 0.000 0.983 58 V HN 0.020 nan 8.190 nan 0.000 0.460 59 P HA 0.165 nan 4.420 nan 0.000 0.272 59 P C -0.278 176.980 177.300 -0.070 0.000 1.230 59 P CA -0.127 62.953 63.100 -0.033 0.000 0.788 59 P CB 1.084 32.782 31.700 -0.004 0.000 0.949 60 D N -0.999 119.424 120.400 0.038 0.000 2.305 60 D HA 0.029 4.813 4.640 0.240 0.000 0.206 60 D C 0.023 176.366 176.300 0.072 0.000 0.974 60 D CA 1.309 55.333 54.000 0.041 0.000 0.871 60 D CB -0.046 40.879 40.800 0.209 0.000 0.947 60 D HN 0.385 nan 8.370 nan 0.000 0.516 61 Y N -0.245 120.045 120.300 -0.016 0.000 2.513 61 Y HA 0.340 4.987 4.550 0.162 0.000 0.340 61 Y C -2.634 173.255 175.900 -0.019 0.000 1.055 61 Y CA -2.308 55.801 58.100 0.016 0.000 1.020 61 Y CB 2.408 40.946 38.460 0.131 0.000 1.301 61 Y HN -0.259 nan 8.280 nan 0.000 0.453 62 P HA 0.184 nan 4.420 nan 0.000 0.287 62 P C 0.347 177.622 177.300 -0.043 0.000 1.294 62 P CA -0.295 62.719 63.100 -0.143 0.000 0.776 62 P CB 1.487 33.039 31.700 -0.247 0.000 0.889 63 L N 3.640 124.879 121.223 0.026 0.000 2.081 63 L HA -0.196 4.288 4.340 0.240 0.000 0.212 63 L C 2.132 178.986 176.870 -0.026 0.000 1.080 63 L CA 1.886 56.753 54.840 0.045 0.000 0.754 63 L CB -0.883 41.227 42.059 0.085 0.000 0.893 63 L HN 0.468 nan 8.230 nan 0.000 0.433 64 E N -0.169 120.003 120.200 -0.046 0.000 2.267 64 E HA -0.232 4.262 4.350 0.240 0.000 0.197 64 E C 1.857 178.406 176.600 -0.084 0.000 0.998 64 E CA 1.553 57.918 56.400 -0.059 0.000 0.830 64 E CB -0.205 29.459 29.700 -0.061 0.000 0.751 64 E HN 0.778 nan 8.360 nan 0.000 0.491 65 I N -2.216 118.283 120.570 -0.118 0.000 3.976 65 I HA 0.212 4.526 4.170 0.240 0.000 0.337 65 I C -0.213 175.848 176.117 -0.093 0.000 1.359 65 I CA -0.475 60.751 61.300 -0.123 0.000 1.098 65 I CB 0.919 38.797 38.000 -0.204 0.000 1.027 65 I HN -0.262 nan 8.210 nan 0.000 0.394 66 V N 5.067 124.900 119.914 -0.135 0.000 2.427 66 V HA 0.210 4.474 4.120 0.240 0.000 0.268 66 V C -0.908 174.916 176.094 -0.450 0.000 1.046 66 V CA -0.880 61.207 62.300 -0.355 0.000 0.970 66 V CB 0.689 32.200 31.823 -0.520 0.000 1.001 66 V HN 0.190 nan 8.190 nan 0.000 0.476 67 P HA -0.126 nan 4.420 nan 0.000 0.218 67 P C 0.946 178.163 177.300 -0.139 0.000 1.149 67 P CA 1.371 64.357 63.100 -0.189 0.000 0.817 67 P CB 0.040 31.714 31.700 -0.045 0.000 0.785 68 F N -2.771 117.097 119.950 -0.137 0.000 2.641 68 F HA 0.691 5.363 4.527 0.240 0.000 0.302 68 F C 1.880 177.535 175.800 -0.241 0.000 1.098 68 F CA -0.648 57.261 58.000 -0.151 0.000 1.318 68 F CB -1.443 37.421 39.000 -0.228 0.000 1.035 68 F HN -0.172 nan 8.300 nan 0.000 0.551 69 A N 0.920 123.520 122.820 -0.366 0.000 1.903 69 A HA -0.267 4.197 4.320 0.240 0.000 0.219 69 A C 1.867 179.583 177.584 0.220 0.000 1.191 69 A CA 2.166 54.117 52.037 -0.144 0.000 0.638 69 A CB -0.707 18.238 19.000 -0.091 0.000 0.823 69 A HN 0.474 nan 8.150 nan 0.000 0.451 70 E N -0.970 119.326 120.200 0.159 0.000 2.437 70 E HA 0.078 4.572 4.350 0.240 0.000 0.195 70 E C 0.034 176.759 176.600 0.207 0.000 1.029 70 E CA -0.272 56.235 56.400 0.178 0.000 0.948 70 E CB -0.076 29.680 29.700 0.094 0.000 1.082 70 E HN 0.603 nan 8.360 nan 0.000 0.456 71 H N 0.191 119.378 119.070 0.194 0.000 2.722 71 H HA 0.069 4.768 4.556 0.239 0.000 0.328 71 H C -1.805 173.636 175.328 0.189 0.000 1.067 71 H CA -2.024 54.131 56.048 0.179 0.000 1.447 71 H CB 1.370 31.251 29.762 0.198 0.000 1.469 71 H HN -0.003 nan 8.280 nan 0.000 0.544 72 P HA -0.187 nan 4.420 nan 0.000 0.217 72 P C 1.784 179.269 177.300 0.308 0.000 1.151 72 P CA 1.235 64.472 63.100 0.228 0.000 0.849 72 P CB 0.250 32.008 31.700 0.096 0.000 0.787 73 L N -3.169 118.354 121.223 0.500 0.000 2.201 73 L HA -0.109 4.375 4.340 0.240 0.000 0.212 73 L C 2.316 179.277 176.870 0.150 0.000 1.105 73 L CA 1.057 56.015 54.840 0.197 0.000 0.775 73 L CB -0.565 41.512 42.059 0.030 0.000 0.913 73 L HN -0.034 nan 8.230 nan 0.000 0.440 74 F N 0.145 120.138 119.950 0.072 0.000 2.270 74 F HA -0.068 4.609 4.527 0.251 0.000 0.295 74 F C 2.126 177.983 175.800 0.095 0.000 1.087 74 F CA 0.948 58.998 58.000 0.083 0.000 1.365 74 F CB 0.201 39.332 39.000 0.218 0.000 1.056 74 F HN -0.140 nan 8.300 nan 0.000 0.506 75 L N -0.073 121.255 121.223 0.176 0.000 2.291 75 L HA -0.086 4.398 4.340 0.240 0.000 0.214 75 L C 2.621 179.479 176.870 -0.020 0.000 1.120 75 L CA 0.817 55.681 54.840 0.041 0.000 0.799 75 L CB -0.944 41.186 42.059 0.118 0.000 0.925 75 L HN 0.220 nan 8.230 nan 0.000 0.446 76 A N 0.366 123.194 122.820 0.012 0.000 2.066 76 A HA 0.142 4.606 4.320 0.240 0.000 0.218 76 A C 1.559 179.109 177.584 -0.058 0.000 1.157 76 A CA 0.814 52.847 52.037 -0.007 0.000 0.670 76 A CB -0.401 18.614 19.000 0.024 0.000 0.804 76 A HN 0.325 nan 8.150 nan 0.000 0.453 77 A N 0.170 122.918 122.820 -0.120 0.000 2.409 77 A HA 0.390 4.854 4.320 0.240 0.000 0.246 77 A C 0.228 177.706 177.584 -0.176 0.000 1.099 77 A CA -0.208 51.725 52.037 -0.174 0.000 0.789 77 A CB 0.097 18.931 19.000 -0.277 0.000 1.053 77 A HN 0.390 nan 8.150 nan 0.000 0.503 78 E N 0.119 120.199 120.200 -0.200 0.000 2.313 78 E HA 0.204 4.698 4.350 0.240 0.000 0.272 78 E C -1.695 174.780 176.600 -0.208 0.000 1.038 78 E CA -1.821 54.483 56.400 -0.160 0.000 0.863 78 E CB 0.350 29.980 29.700 -0.116 0.000 1.060 78 E HN 0.294 nan 8.360 nan 0.000 0.402 79 P HA -0.217 nan 4.420 nan 0.000 0.216 79 P C 1.079 178.355 177.300 -0.039 0.000 1.154 79 P CA 1.868 64.938 63.100 -0.050 0.000 0.865 79 P CB -0.060 31.654 31.700 0.023 0.000 0.789 80 H N -1.378 117.677 119.070 -0.024 0.000 2.457 80 H HA -0.041 4.660 4.556 0.241 0.000 0.294 80 H C 1.841 177.169 175.328 -0.000 0.000 1.064 80 H CA 0.982 57.029 56.048 -0.002 0.000 1.330 80 H CB -1.112 28.654 29.762 0.005 0.000 1.395 80 H HN 0.193 nan 8.280 nan 0.000 0.541 81 Q N 0.666 120.109 119.800 -0.595 0.000 2.079 81 Q HA -0.046 4.438 4.340 0.240 0.000 0.200 81 Q C 2.386 178.290 176.000 -0.161 0.000 0.974 81 Q CA 1.106 56.696 55.803 -0.355 0.000 0.840 81 Q CB -0.016 28.489 28.738 -0.390 0.000 0.898 81 Q HN 0.511 nan 8.270 nan 0.000 0.430 82 R N 0.334 120.696 120.500 -0.231 0.000 2.091 82 R HA -0.146 4.338 4.340 0.240 0.000 0.238 82 R C 2.320 178.666 176.300 0.078 0.000 1.136 82 R CA 1.108 57.102 56.100 -0.177 0.000 0.959 82 R CB -0.091 29.978 30.300 -0.385 0.000 0.856 82 R HN 0.263 nan 8.270 nan 0.000 0.437 83 Q N 0.418 120.246 119.800 0.047 0.000 2.124 83 Q HA -0.136 4.348 4.340 0.240 0.000 0.202 83 Q C 2.049 178.127 176.000 0.129 0.000 0.977 83 Q CA 1.451 57.318 55.803 0.105 0.000 0.850 83 Q CB -0.207 28.589 28.738 0.096 0.000 0.901 83 Q HN 0.358 nan 8.270 nan 0.000 0.429 84 R N -0.259 120.304 120.500 0.105 0.000 2.096 84 R HA -0.073 4.411 4.340 0.240 0.000 0.235 84 R C 2.378 178.755 176.300 0.129 0.000 1.127 84 R CA 1.168 57.335 56.100 0.112 0.000 0.968 84 R CB -0.311 30.041 30.300 0.086 0.000 0.861 84 R HN 0.079 nan 8.270 nan 0.000 0.440 85 V N 1.617 121.629 119.914 0.164 0.000 2.295 85 V HA -0.238 4.026 4.120 0.240 0.000 0.246 85 V C 2.358 178.550 176.094 0.163 0.000 1.049 85 V CA 1.648 64.076 62.300 0.214 0.000 1.024 85 V CB -0.448 31.632 31.823 0.428 0.000 0.648 85 V HN 0.272 nan 8.190 nan 0.000 0.447 86 L N -0.343 120.998 121.223 0.196 0.000 1.989 86 L HA -0.201 4.283 4.340 0.240 0.000 0.211 86 L C 2.685 179.651 176.870 0.160 0.000 1.071 86 L CA 2.151 57.087 54.840 0.161 0.000 0.749 86 L CB -1.090 41.113 42.059 0.239 0.000 0.890 86 L HN 0.340 nan 8.230 nan 0.000 0.431 87 T N -0.318 114.358 114.554 0.203 0.000 2.720 87 T HA -0.169 4.325 4.350 0.240 0.000 0.268 87 T C 1.802 176.631 174.700 0.216 0.000 1.037 87 T CA 1.430 63.686 62.100 0.260 0.000 1.144 87 T CB -0.647 68.356 68.868 0.225 0.000 0.864 87 T HN 0.594 nan 8.240 nan 0.000 0.444 88 G N 1.153 110.026 108.800 0.122 0.000 2.446 88 G HA2 -0.212 3.892 3.960 0.240 0.000 0.217 88 G HA3 -0.212 3.892 3.960 0.240 0.000 0.217 88 G C 1.558 176.461 174.900 0.006 0.000 1.168 88 G CA 0.797 45.935 45.100 0.064 0.000 0.771 88 G HN 0.427 nan 8.290 nan 0.000 0.551 89 M N -0.771 118.771 119.600 -0.095 0.000 2.175 89 M HA 0.038 4.662 4.480 0.240 0.000 0.264 89 M C 2.334 178.503 176.300 -0.219 0.000 1.063 89 M CA 0.993 56.101 55.300 -0.320 0.000 1.119 89 M CB -0.281 31.836 32.600 -0.806 0.000 1.377 89 M HN 0.546 nan 8.290 nan 0.000 0.415 90 W N 1.760 122.944 121.300 -0.194 0.000 2.354 90 W HA -0.200 4.592 4.660 0.220 0.000 0.315 90 W C 1.757 178.363 176.519 0.145 0.000 1.206 90 W CA 1.420 58.864 57.345 0.164 0.000 1.290 90 W CB -0.281 29.314 29.460 0.225 0.000 1.152 90 W HN 0.113 nan 8.180 nan 0.000 0.489 91 I N 1.356 121.874 120.570 -0.087 0.000 2.226 91 I HA -0.238 4.076 4.170 0.240 0.000 0.245 91 I C 2.790 178.793 176.117 -0.189 0.000 1.100 91 I CA 1.728 62.896 61.300 -0.221 0.000 1.374 91 I CB -1.295 36.673 38.000 -0.054 0.000 1.057 91 I HN 0.062 nan 8.210 nan 0.000 0.413 92 G N 0.090 108.835 108.800 -0.090 0.000 2.418 92 G HA2 -0.344 3.760 3.960 0.240 0.000 0.217 92 G HA3 -0.344 3.760 3.960 0.240 0.000 0.217 92 G C 1.636 176.486 174.900 -0.083 0.000 1.158 92 G CA 0.906 45.962 45.100 -0.072 0.000 0.771 92 G HN 0.428 nan 8.290 nan 0.000 0.545 93 Y N 1.996 122.212 120.300 -0.140 0.000 2.165 93 Y HA -0.138 4.440 4.550 0.047 0.000 0.286 93 Y C 2.607 178.377 175.900 -0.218 0.000 1.155 93 Y CA 2.035 60.067 58.100 -0.113 0.000 1.164 93 Y CB -0.338 38.137 38.460 0.025 0.000 0.978 93 Y HN 0.152 nan 8.280 nan 0.000 0.513 94 N N 0.559 118.942 118.700 -0.528 0.000 2.120 94 N HA -0.178 4.706 4.740 0.240 0.000 0.188 94 N C 1.639 176.902 175.510 -0.411 0.000 1.024 94 N CA 1.761 54.483 53.050 -0.545 0.000 0.852 94 N CB -0.252 37.956 38.487 -0.465 0.000 1.003 94 N HN 0.617 nan 8.380 nan 0.000 0.424 95 E N 0.846 120.866 120.200 -0.300 0.000 2.085 95 E HA -0.123 4.371 4.350 0.240 0.000 0.194 95 E C 2.111 178.577 176.600 -0.223 0.000 0.994 95 E CA 0.889 57.161 56.400 -0.213 0.000 0.801 95 E CB -0.010 29.598 29.700 -0.152 0.000 0.743 95 E HN 0.304 nan 8.360 nan 0.000 0.453 96 R N 0.362 120.710 120.500 -0.254 0.000 2.075 96 R HA -0.082 4.402 4.340 0.240 0.000 0.232 96 R C 2.482 178.621 176.300 -0.268 0.000 1.126 96 R CA 0.932 56.902 56.100 -0.216 0.000 0.963 96 R CB -0.341 29.860 30.300 -0.165 0.000 0.858 96 R HN 0.054 nan 8.270 nan 0.000 0.435 97 V N 1.660 121.294 119.914 -0.468 0.000 2.287 97 V HA -0.281 3.983 4.120 0.240 0.000 0.248 97 V C 2.286 178.221 176.094 -0.264 0.000 1.053 97 V CA 1.888 63.904 62.300 -0.474 0.000 1.027 97 V CB -0.388 30.882 31.823 -0.921 0.000 0.646 97 V HN 0.277 nan 8.190 nan 0.000 0.447 98 I N 0.209 120.628 120.570 -0.251 0.000 2.179 98 I HA -0.243 4.071 4.170 0.240 0.000 0.242 98 I C 2.663 178.721 176.117 -0.099 0.000 1.088 98 I CA 1.506 62.731 61.300 -0.125 0.000 1.357 98 I CB -0.622 37.315 38.000 -0.105 0.000 1.051 98 I HN 0.296 nan 8.210 nan 0.000 0.409 99 A N 0.382 123.125 122.820 -0.129 0.000 1.902 99 A HA -0.213 4.251 4.320 0.240 0.000 0.217 99 A C 2.387 179.907 177.584 -0.107 0.000 1.181 99 A CA 2.498 54.452 52.037 -0.138 0.000 0.623 99 A CB -1.138 17.770 19.000 -0.154 0.000 0.818 99 A HN 0.389 nan 8.150 nan 0.000 0.443 100 T N 0.135 114.652 114.554 -0.062 0.000 2.684 100 T HA -0.141 4.353 4.350 0.240 0.000 0.267 100 T C 1.828 176.557 174.700 0.049 0.000 1.036 100 T CA 1.535 63.649 62.100 0.024 0.000 1.148 100 T CB -0.280 68.621 68.868 0.055 0.000 0.863 100 T HN 0.523 nan 8.240 nan 0.000 0.436 101 E N 1.442 121.668 120.200 0.044 0.000 2.058 101 E HA -0.149 4.345 4.350 0.240 0.000 0.194 101 E C 2.395 179.027 176.600 0.054 0.000 0.997 101 E CA 1.264 57.717 56.400 0.089 0.000 0.801 101 E CB -0.306 29.463 29.700 0.115 0.000 0.746 101 E HN 0.617 nan 8.360 nan 0.000 0.450 102 Q N -0.174 119.629 119.800 0.006 0.000 2.137 102 Q HA 0.023 4.507 4.340 0.240 0.000 0.198 102 Q C 2.296 178.273 176.000 -0.040 0.000 0.960 102 Q CA 0.710 56.505 55.803 -0.014 0.000 0.847 102 Q CB 0.164 28.874 28.738 -0.046 0.000 0.915 102 Q HN 0.229 nan 8.270 nan 0.000 0.448 103 L N -0.919 120.254 121.223 -0.083 0.000 2.463 103 L HA 0.119 4.603 4.340 0.240 0.000 0.219 103 L C 1.641 178.541 176.870 0.051 0.000 1.088 103 L CA 0.348 55.106 54.840 -0.137 0.000 0.849 103 L CB 0.341 42.100 42.059 -0.501 0.000 1.012 103 L HN 0.158 nan 8.230 nan 0.000 0.468 104 I N -1.679 118.945 120.570 0.090 0.000 3.650 104 I HA 0.130 4.444 4.170 0.240 0.000 0.261 104 I C 2.378 178.545 176.117 0.083 0.000 1.154 104 I CA 0.687 62.095 61.300 0.180 0.000 1.418 104 I CB -0.126 38.074 38.000 0.333 0.000 1.539 104 I HN -0.035 nan 8.210 nan 0.000 0.449 105 A N 0.994 123.831 122.820 0.029 0.000 1.840 105 A HA -0.147 4.317 4.320 0.240 0.000 0.214 105 A C 2.096 179.554 177.584 -0.209 0.000 1.198 105 A CA 1.636 53.589 52.037 -0.140 0.000 0.608 105 A CB -0.651 18.329 19.000 -0.033 0.000 0.839 105 A HN 0.384 nan 8.150 nan 0.000 0.443 106 E N -0.395 119.813 120.200 0.013 0.000 2.077 106 E HA -0.148 4.346 4.350 0.240 0.000 0.193 106 E C -0.567 176.088 176.600 0.090 0.000 0.989 106 E CA 1.495 57.968 56.400 0.121 0.000 0.800 106 E CB -0.950 28.830 29.700 0.134 0.000 0.746 106 E HN 0.460 nan 8.360 nan 0.000 0.452 107 P HA -0.189 nan 4.420 nan 0.000 0.218 107 P C 0.986 178.319 177.300 0.055 0.000 1.148 107 P CA 1.790 64.917 63.100 0.045 0.000 0.822 107 P CB 0.025 31.750 31.700 0.041 0.000 0.784 108 A N -1.168 121.656 122.820 0.007 0.000 1.873 108 A HA -0.189 4.275 4.320 0.240 0.000 0.215 108 A C 1.911 179.561 177.584 0.109 0.000 1.186 108 A CA 1.413 53.458 52.037 0.015 0.000 0.616 108 A CB -1.769 17.155 19.000 -0.128 0.000 0.823 108 A HN 0.029 nan 8.150 nan 0.000 0.442 109 F N 0.991 120.990 119.950 0.082 0.000 2.126 109 F HA -0.175 4.496 4.527 0.240 0.000 0.299 109 F C 2.071 177.925 175.800 0.090 0.000 1.096 109 F CA 1.373 59.409 58.000 0.060 0.000 1.255 109 F CB -0.995 38.011 39.000 0.010 0.000 0.997 109 F HN 0.235 nan 8.300 nan 0.000 0.479 110 D N 0.038 120.605 120.400 0.279 0.000 2.144 110 D HA -0.149 4.635 4.640 0.240 0.000 0.199 110 D C 2.586 179.025 176.300 0.231 0.000 0.984 110 D CA 0.874 55.012 54.000 0.229 0.000 0.834 110 D CB -0.522 40.349 40.800 0.119 0.000 0.955 110 D HN 0.217 nan 8.370 nan 0.000 0.465 111 L N 0.230 121.549 121.223 0.159 0.000 2.046 111 L HA -0.152 4.332 4.340 0.240 0.000 0.208 111 L C 2.464 179.485 176.870 0.251 0.000 1.077 111 L CA 0.630 55.552 54.840 0.136 0.000 0.747 111 L CB -0.296 41.880 42.059 0.195 0.000 0.896 111 L HN -0.026 nan 8.230 nan 0.000 0.432 112 V N -0.482 119.644 119.914 0.353 0.000 2.287 112 V HA -0.331 3.933 4.120 0.240 0.000 0.248 112 V C 2.550 178.778 176.094 0.223 0.000 1.053 112 V CA 1.636 64.142 62.300 0.342 0.000 1.027 112 V CB -0.450 31.550 31.823 0.295 0.000 0.646 112 V HN 0.397 nan 8.190 nan 0.000 0.447 113 M N -0.825 118.896 119.600 0.201 0.000 2.296 113 M HA -0.096 4.528 4.480 0.240 0.000 0.265 113 M C 2.027 178.375 176.300 0.079 0.000 1.064 113 M CA 1.561 56.931 55.300 0.116 0.000 1.109 113 M CB -1.446 31.212 32.600 0.096 0.000 1.396 113 M HN 0.418 nan 8.290 nan 0.000 0.430 114 H N 0.157 119.247 119.070 0.032 0.000 2.546 114 H HA 0.168 4.868 4.556 0.240 0.000 0.277 114 H C 1.412 176.730 175.328 -0.015 0.000 1.004 114 H CA 1.045 57.093 56.048 0.000 0.000 1.231 114 H CB -0.298 29.455 29.762 -0.015 0.000 1.382 114 H HN 0.592 nan 8.280 nan 0.000 0.580 115 G N -0.141 108.714 108.800 0.093 0.000 2.136 115 G HA2 -0.298 3.806 3.960 0.240 0.000 0.242 115 G HA3 -0.298 3.806 3.960 0.240 0.000 0.242 115 G C 1.235 176.135 174.900 0.000 0.000 0.989 115 G CA 0.539 45.669 45.100 0.051 0.000 0.682 115 G HN 0.417 nan 8.290 nan 0.000 0.522 116 V N -0.748 119.106 119.914 -0.101 0.000 2.759 116 V HA 0.308 4.572 4.120 0.240 0.000 0.256 116 V C 0.946 176.806 176.094 -0.390 0.000 1.080 116 V CA 1.385 63.503 62.300 -0.302 0.000 1.101 116 V CB -0.384 31.147 31.823 -0.487 0.000 0.698 116 V HN 0.329 nan 8.190 nan 0.000 0.477 117 F N 1.453 121.451 119.950 0.079 0.000 2.450 117 F HA 0.549 5.220 4.527 0.240 0.000 0.332 117 F C -2.018 173.810 175.800 0.047 0.000 1.093 117 F CA -3.409 54.633 58.000 0.070 0.000 1.003 117 F CB 0.570 39.620 39.000 0.084 0.000 1.151 117 F HN -0.112 nan 8.300 nan 0.000 0.474 118 P HA 0.170 nan 4.420 nan 0.000 0.267 118 P C 0.691 178.060 177.300 0.114 0.000 1.205 118 P CA 0.674 63.842 63.100 0.115 0.000 0.765 118 P CB 0.905 32.646 31.700 0.068 0.000 0.828 119 G N 2.843 111.692 108.800 0.083 0.000 2.217 119 G HA2 -0.316 3.788 3.960 0.240 0.000 0.246 119 G HA3 -0.316 3.788 3.960 0.240 0.000 0.246 119 G C 1.065 176.014 174.900 0.082 0.000 0.990 119 G CA 0.438 45.580 45.100 0.070 0.000 0.627 119 G HN 0.631 nan 8.290 nan 0.000 0.522 120 S N 1.108 116.880 115.700 0.120 0.000 2.555 120 S HA 0.051 4.665 4.470 0.240 0.000 0.230 120 S C 1.557 176.203 174.600 0.078 0.000 0.978 120 S CA 1.344 59.620 58.200 0.126 0.000 0.934 120 S CB -0.126 63.201 63.200 0.212 0.000 0.766 120 S HN 0.710 nan 8.310 nan 0.000 0.533 121 D N 1.265 121.698 120.400 0.056 0.000 2.336 121 D HA 0.015 4.799 4.640 0.240 0.000 0.229 121 D C -0.065 176.245 176.300 0.018 0.000 1.061 121 D CA -0.169 53.849 54.000 0.029 0.000 0.875 121 D CB -0.725 40.088 40.800 0.020 0.000 0.904 121 D HN 0.507 nan 8.370 nan 0.000 0.525 122 D N 0.779 121.192 120.400 0.023 0.000 2.348 122 D HA 0.084 4.868 4.640 0.240 0.000 0.253 122 D C -1.524 174.777 176.300 0.001 0.000 1.161 122 D CA -1.707 52.300 54.000 0.013 0.000 0.876 122 D CB 1.663 42.474 40.800 0.019 0.000 1.160 122 D HN -0.220 nan 8.370 nan 0.000 0.459 123 P HA -0.177 nan 4.420 nan 0.000 0.216 123 P C 1.253 178.537 177.300 -0.026 0.000 1.150 123 P CA 0.475 63.564 63.100 -0.018 0.000 0.843 123 P CB 0.123 31.814 31.700 -0.015 0.000 0.787 124 L N -0.948 120.264 121.223 -0.017 0.000 2.027 124 L HA -0.082 4.402 4.340 0.240 0.000 0.206 124 L C 2.220 179.072 176.870 -0.030 0.000 1.074 124 L CA 1.587 56.414 54.840 -0.022 0.000 0.745 124 L CB -1.220 40.834 42.059 -0.008 0.000 0.898 124 L HN -0.112 nan 8.230 nan 0.000 0.433 125 I N -0.713 119.848 120.570 -0.014 0.000 2.163 125 I HA -0.357 3.957 4.170 0.240 0.000 0.243 125 I C 2.617 178.712 176.117 -0.038 0.000 1.085 125 I CA 1.375 62.668 61.300 -0.011 0.000 1.347 125 I CB -0.307 37.706 38.000 0.020 0.000 1.044 125 I HN 0.261 nan 8.210 nan 0.000 0.408 126 R N 0.709 121.188 120.500 -0.035 0.000 2.081 126 R HA -0.186 4.298 4.340 0.240 0.000 0.235 126 R C 2.311 178.544 176.300 -0.112 0.000 1.131 126 R CA 1.412 57.477 56.100 -0.058 0.000 0.960 126 R CB -0.232 30.043 30.300 -0.042 0.000 0.856 126 R HN 0.309 nan 8.270 nan 0.000 0.436 127 K N 0.161 120.492 120.400 -0.114 0.000 2.025 127 K HA -0.111 4.353 4.320 0.240 0.000 0.207 127 K C 2.353 178.811 176.600 -0.237 0.000 1.049 127 K CA 1.811 57.997 56.287 -0.168 0.000 0.933 127 K CB -0.085 32.340 32.500 -0.126 0.000 0.714 127 K HN 0.178 nan 8.250 nan 0.000 0.438 128 S N 0.296 115.887 115.700 -0.182 0.000 2.368 128 S HA -0.113 4.501 4.470 0.240 0.000 0.225 128 S C 2.119 176.531 174.600 -0.314 0.000 1.030 128 S CA 1.261 59.337 58.200 -0.207 0.000 0.999 128 S CB -0.551 62.585 63.200 -0.108 0.000 0.844 128 S HN 0.026 nan 8.310 nan 0.000 0.459 129 V N 1.722 121.462 119.914 -0.290 0.000 2.453 129 V HA -0.074 4.190 4.120 0.240 0.000 0.247 129 V C 2.938 178.751 176.094 -0.467 0.000 1.048 129 V CA 1.919 63.960 62.300 -0.432 0.000 1.049 129 V CB -0.939 30.754 31.823 -0.217 0.000 0.672 129 V HN 0.467 nan 8.190 nan 0.000 0.457 130 Q N 0.313 119.915 119.800 -0.329 0.000 2.084 130 Q HA -0.215 4.269 4.340 0.240 0.000 0.202 130 Q C 2.206 177.955 176.000 -0.419 0.000 0.978 130 Q CA 1.833 57.455 55.803 -0.302 0.000 0.844 130 Q CB -0.347 28.253 28.738 -0.231 0.000 0.898 130 Q HN 0.678 nan 8.270 nan 0.000 0.426 131 Q N -0.678 118.758 119.800 -0.606 0.000 2.061 131 Q HA -0.180 4.304 4.340 0.240 0.000 0.204 131 Q C 2.047 177.729 176.000 -0.531 0.000 0.984 131 Q CA 1.628 56.858 55.803 -0.954 0.000 0.846 131 Q CB -0.377 27.500 28.738 -1.435 0.000 0.902 131 Q HN 0.520 nan 8.270 nan 0.000 0.421 132 A N 0.713 123.212 122.820 -0.535 0.000 1.940 132 A HA -0.200 4.264 4.320 0.240 0.000 0.219 132 A C 2.015 179.325 177.584 -0.457 0.000 1.176 132 A CA 1.303 52.951 52.037 -0.649 0.000 0.631 132 A CB -0.659 17.549 19.000 -1.320 0.000 0.814 132 A HN 0.343 nan 8.150 nan 0.000 0.446 133 I N -0.609 119.723 120.570 -0.397 0.000 2.315 133 I HA -0.195 4.119 4.170 0.240 0.000 0.248 133 I C 2.298 178.391 176.117 -0.041 0.000 1.117 133 I CA 0.927 62.148 61.300 -0.133 0.000 1.404 133 I CB -0.201 37.749 38.000 -0.084 0.000 1.071 133 I HN 0.160 nan 8.210 nan 0.000 0.419 134 V N 0.740 120.622 119.914 -0.053 0.000 2.343 134 V HA -0.295 3.969 4.120 0.240 0.000 0.247 134 V C 2.067 178.232 176.094 0.119 0.000 1.051 134 V CA 1.955 64.293 62.300 0.063 0.000 1.036 134 V CB -0.692 31.219 31.823 0.148 0.000 0.654 134 V HN 0.403 nan 8.190 nan 0.000 0.451 135 D N -0.094 120.382 120.400 0.127 0.000 2.104 135 D HA -0.155 4.629 4.640 0.240 0.000 0.194 135 D C 2.242 178.329 176.300 -0.355 0.000 0.994 135 D CA 1.237 55.249 54.000 0.021 0.000 0.830 135 D CB -0.275 40.686 40.800 0.268 0.000 0.959 135 D HN 0.434 nan 8.370 nan 0.000 0.452 136 E N 0.724 120.853 120.200 -0.118 0.000 2.110 136 E HA -0.090 4.404 4.350 0.240 0.000 0.193 136 E C 2.220 178.849 176.600 0.048 0.000 0.988 136 E CA 0.476 56.872 56.400 -0.007 0.000 0.804 136 E CB -0.424 29.391 29.700 0.191 0.000 0.745 136 E HN 0.128 nan 8.360 nan 0.000 0.458 137 S N 0.736 116.482 115.700 0.076 0.000 2.370 137 S HA -0.143 4.471 4.470 0.240 0.000 0.226 137 S C 1.634 176.346 174.600 0.186 0.000 1.033 137 S CA 1.058 59.330 58.200 0.120 0.000 1.011 137 S CB -0.340 62.925 63.200 0.109 0.000 0.852 137 S HN 0.274 nan 8.310 nan 0.000 0.457 138 F N 1.873 121.845 119.950 0.038 0.000 2.206 138 F HA -0.021 4.653 4.527 0.244 0.000 0.298 138 F C 2.055 178.007 175.800 0.254 0.000 1.090 138 F CA 1.287 59.367 58.000 0.134 0.000 1.323 138 F CB -0.579 38.478 39.000 0.094 0.000 1.028 138 F HN 0.330 nan 8.300 nan 0.000 0.492 139 H N -1.269 117.845 119.070 0.072 0.000 2.319 139 H HA -0.173 4.531 4.556 0.247 0.000 0.299 139 H C 2.111 177.465 175.328 0.044 0.000 1.092 139 H CA 1.548 57.547 56.048 -0.082 0.000 1.302 139 H CB -0.541 29.059 29.762 -0.270 0.000 1.373 139 H HN 0.188 nan 8.280 nan 0.000 0.497 140 T N 0.562 115.231 114.554 0.191 0.000 2.720 140 T HA -0.256 4.238 4.350 0.240 0.000 0.268 140 T C 1.706 176.460 174.700 0.090 0.000 1.037 140 T CA 1.600 63.779 62.100 0.133 0.000 1.144 140 T CB -0.598 68.334 68.868 0.106 0.000 0.864 140 T HN 0.368 nan 8.240 nan 0.000 0.444 141 Y N 1.595 121.856 120.300 -0.066 0.000 2.081 141 Y HA -0.202 4.493 4.550 0.242 0.000 0.280 141 Y C 2.378 178.154 175.900 -0.207 0.000 1.163 141 Y CA 1.435 59.456 58.100 -0.131 0.000 1.135 141 Y CB -0.484 37.894 38.460 -0.137 0.000 0.970 141 Y HN 0.125 nan 8.280 nan 0.000 0.498 142 M N -0.925 118.417 119.600 -0.430 0.000 2.080 142 M HA -0.291 4.333 4.480 0.240 0.000 0.260 142 M C 2.197 178.283 176.300 -0.356 0.000 1.068 142 M CA 1.929 56.937 55.300 -0.487 0.000 1.109 142 M CB -0.697 31.611 32.600 -0.486 0.000 1.342 142 M HN 0.410 nan 8.290 nan 0.000 0.405 143 H N -0.746 118.237 119.070 -0.146 0.000 2.423 143 H HA -0.101 4.602 4.556 0.245 0.000 0.297 143 H C 2.035 177.252 175.328 -0.184 0.000 1.075 143 H CA 1.495 57.460 56.048 -0.138 0.000 1.342 143 H CB -0.311 29.369 29.762 -0.136 0.000 1.395 143 H HN 0.471 nan 8.280 nan 0.000 0.530 144 M N 0.636 120.181 119.600 -0.093 0.000 2.086 144 M HA -0.140 4.484 4.480 0.240 0.000 0.261 144 M C 2.031 178.199 176.300 -0.221 0.000 1.067 144 M CA 1.323 56.540 55.300 -0.138 0.000 1.116 144 M CB -0.107 32.430 32.600 -0.105 0.000 1.348 144 M HN 0.154 nan 8.290 nan 0.000 0.407 145 L N 0.332 121.349 121.223 -0.343 0.000 2.012 145 L HA -0.209 4.275 4.340 0.240 0.000 0.210 145 L C 2.809 179.440 176.870 -0.399 0.000 1.073 145 L CA 1.447 56.025 54.840 -0.437 0.000 0.748 145 L CB -1.096 40.634 42.059 -0.548 0.000 0.891 145 L HN 0.444 nan 8.230 nan 0.000 0.431 146 A N 0.316 123.039 122.820 -0.162 0.000 1.908 146 A HA -0.220 4.244 4.320 0.240 0.000 0.218 146 A C 2.169 179.760 177.584 0.010 0.000 1.181 146 A CA 1.734 53.838 52.037 0.112 0.000 0.627 146 A CB -0.662 18.465 19.000 0.212 0.000 0.818 146 A HN 0.374 nan 8.150 nan 0.000 0.445 147 I N -0.275 120.223 120.570 -0.121 0.000 2.142 147 I HA -0.229 4.085 4.170 0.240 0.000 0.240 147 I C 1.962 178.013 176.117 -0.108 0.000 1.078 147 I CA 1.560 62.788 61.300 -0.120 0.000 1.343 147 I CB -0.478 37.437 38.000 -0.142 0.000 1.046 147 I HN 0.249 nan 8.210 nan 0.000 0.405 148 D N 0.591 120.888 120.400 -0.170 0.000 2.117 148 D HA -0.130 4.654 4.640 0.240 0.000 0.197 148 D C 2.345 178.508 176.300 -0.229 0.000 0.987 148 D CA 0.990 54.881 54.000 -0.182 0.000 0.829 148 D CB -0.263 40.419 40.800 -0.197 0.000 0.961 148 D HN 0.158 nan 8.370 nan 0.000 0.460 149 R N 0.338 120.610 120.500 -0.380 0.000 2.081 149 R HA -0.017 4.467 4.340 0.240 0.000 0.235 149 R C 2.303 178.472 176.300 -0.217 0.000 1.131 149 R CA 0.864 56.657 56.100 -0.513 0.000 0.960 149 R CB -1.377 28.144 30.300 -1.298 0.000 0.856 149 R HN 0.221 nan 8.270 nan 0.000 0.436 150 T N 1.105 115.661 114.554 0.003 0.000 2.737 150 T HA -0.064 4.430 4.350 0.240 0.000 0.265 150 T C 1.957 176.709 174.700 0.086 0.000 1.038 150 T CA 1.149 63.362 62.100 0.188 0.000 1.144 150 T CB -0.069 69.039 68.868 0.401 0.000 0.866 150 T HN 0.277 nan 8.240 nan 0.000 0.434 151 R N 0.711 121.225 120.500 0.024 0.000 2.081 151 R HA -0.069 4.415 4.340 0.240 0.000 0.235 151 R C 2.599 178.889 176.300 -0.016 0.000 1.131 151 R CA 1.427 57.532 56.100 0.008 0.000 0.960 151 R CB -0.186 30.102 30.300 -0.021 0.000 0.856 151 R HN 0.560 nan 8.270 nan 0.000 0.436 152 E N 1.066 121.228 120.200 -0.063 0.000 2.028 152 E HA -0.175 4.319 4.350 0.240 0.000 0.191 152 E C 1.914 178.475 176.600 -0.065 0.000 0.988 152 E CA 1.019 57.374 56.400 -0.075 0.000 0.799 152 E CB 0.001 29.630 29.700 -0.118 0.000 0.755 152 E HN 0.254 nan 8.360 nan 0.000 0.447 153 L N 0.184 121.342 121.223 -0.109 0.000 2.156 153 L HA -0.049 4.435 4.340 0.240 0.000 0.208 153 L C 2.450 179.337 176.870 0.030 0.000 1.095 153 L CA 0.547 55.309 54.840 -0.129 0.000 0.770 153 L CB -0.183 41.590 42.059 -0.476 0.000 0.914 153 L HN 0.029 nan 8.230 nan 0.000 0.439 154 R N 0.760 121.303 120.500 0.072 0.000 2.310 154 R HA 0.056 4.540 4.340 0.240 0.000 0.202 154 R C 0.158 176.505 176.300 0.078 0.000 0.933 154 R CA -0.009 56.161 56.100 0.117 0.000 1.054 154 R CB -0.183 30.210 30.300 0.155 0.000 0.985 154 R HN 0.276 nan 8.270 nan 0.000 0.489 155 K N 0.793 121.220 120.400 0.045 0.000 3.150 155 K HA -0.155 4.309 4.320 0.240 0.000 0.267 155 K C -0.563 176.058 176.600 0.034 0.000 1.028 155 K CA 0.461 56.767 56.287 0.031 0.000 0.753 155 K CB -1.794 30.726 32.500 0.033 0.000 1.288 155 K HN 0.210 nan 8.250 nan 0.000 0.473 156 I N 1.679 122.269 120.570 0.033 0.000 2.276 156 I HA -0.026 4.288 4.170 0.240 0.000 0.290 156 I C 1.731 177.856 176.117 0.014 0.000 1.109 156 I CA -0.137 61.182 61.300 0.033 0.000 1.229 156 I CB 0.992 39.018 38.000 0.044 0.000 1.452 156 I HN 0.350 nan 8.210 nan 0.000 0.497 157 S N 3.783 119.490 115.700 0.012 0.000 2.355 157 S HA -0.008 4.606 4.470 0.240 0.000 0.222 157 S C 0.697 175.297 174.600 -0.001 0.000 1.031 157 S CA 0.636 58.838 58.200 0.003 0.000 0.993 157 S CB 0.130 63.333 63.200 0.005 0.000 0.859 157 S HN 0.688 nan 8.310 nan 0.000 0.453 158 E N 0.071 120.273 120.200 0.003 0.000 2.356 158 E HA 0.589 5.083 4.350 0.240 0.000 0.275 158 E C -1.258 175.343 176.600 0.002 0.000 0.904 158 E CA -0.851 55.548 56.400 -0.001 0.000 0.757 158 E CB 2.029 31.728 29.700 -0.001 0.000 1.232 158 E HN 0.401 nan 8.360 nan 0.000 0.442 159 R N 3.774 124.271 120.500 -0.004 0.000 2.535 159 R HA 0.407 4.891 4.340 0.240 0.000 0.274 159 R C -2.809 173.485 176.300 -0.010 0.000 1.090 159 R CA -1.436 54.661 56.100 -0.004 0.000 0.930 159 R CB 1.275 31.574 30.300 -0.002 0.000 1.223 159 R HN 0.288 nan 8.270 nan 0.000 0.441 160 P HA 0.079 nan 4.420 nan 0.000 0.263 160 P C -2.121 175.168 177.300 -0.019 0.000 1.175 160 P CA -0.700 62.393 63.100 -0.013 0.000 0.761 160 P CB 0.472 32.166 31.700 -0.011 0.000 0.794 161 P HA 0.059 nan 4.420 nan 0.000 0.266 161 P C 0.851 178.134 177.300 -0.028 0.000 1.381 161 P CA 0.232 63.315 63.100 -0.027 0.000 0.940 161 P CB 0.566 32.251 31.700 -0.026 0.000 1.435 162 Q N 1.255 121.041 119.800 -0.023 0.000 1.813 162 Q HA 0.058 4.542 4.340 0.240 0.000 0.261 162 Q C -1.041 174.947 176.000 -0.020 0.000 0.975 162 Q CA 1.308 57.100 55.803 -0.020 0.000 0.881 162 Q CB -2.005 26.724 28.738 -0.015 0.000 0.924 162 Q HN 0.342 nan 8.270 nan 0.000 0.425 163 P HA 0.106 nan 4.420 nan 0.000 0.276 163 P C -0.633 176.660 177.300 -0.011 0.000 1.243 163 P CA 0.068 63.161 63.100 -0.012 0.000 0.768 163 P CB 0.408 32.102 31.700 -0.010 0.000 0.856 164 E N 2.641 122.843 120.200 0.004 0.000 2.442 164 E HA 0.049 4.543 4.350 0.240 0.000 0.262 164 E C -0.088 176.529 176.600 0.029 0.000 1.004 164 E CA -0.419 55.997 56.400 0.026 0.000 0.928 164 E CB 0.353 30.093 29.700 0.067 0.000 0.937 164 E HN 0.413 nan 8.360 nan 0.000 0.446 165 L N 4.939 126.184 121.223 0.037 0.000 2.540 165 L HA -0.090 4.394 4.340 0.240 0.000 0.276 165 L C 1.646 178.541 176.870 0.042 0.000 1.212 165 L CA -0.176 54.681 54.840 0.028 0.000 0.893 165 L CB 0.560 42.637 42.059 0.030 0.000 1.138 165 L HN 0.615 nan 8.230 nan 0.000 0.491 166 V N 3.268 123.184 119.914 0.003 0.000 2.380 166 V HA -0.306 3.958 4.120 0.240 0.000 0.251 166 V C 2.364 178.451 176.094 -0.012 0.000 1.063 166 V CA 2.715 65.012 62.300 -0.004 0.000 1.055 166 V CB -0.273 31.542 31.823 -0.012 0.000 0.657 166 V HN 1.147 nan 8.190 nan 0.000 0.455 167 T N -2.607 111.904 114.554 -0.072 0.000 2.777 167 T HA -0.286 4.208 4.350 0.240 0.000 0.266 167 T C 1.860 176.653 174.700 0.154 0.000 1.040 167 T CA 2.067 64.102 62.100 -0.107 0.000 1.141 167 T CB -0.772 67.769 68.868 -0.545 0.000 0.868 167 T HN 0.648 nan 8.240 nan 0.000 0.444 168 Y N 2.048 122.333 120.300 -0.026 0.000 2.263 168 Y HA 0.100 4.793 4.550 0.237 0.000 0.292 168 Y C 2.914 178.750 175.900 -0.107 0.000 1.130 168 Y CA 1.092 59.152 58.100 -0.066 0.000 1.179 168 Y CB -0.116 38.309 38.460 -0.059 0.000 0.998 168 Y HN 0.085 nan 8.280 nan 0.000 0.532 169 R N 0.378 120.843 120.500 -0.059 0.000 2.091 169 R HA -0.177 4.307 4.340 0.240 0.000 0.238 169 R C 2.207 178.402 176.300 -0.174 0.000 1.136 169 R CA 1.625 57.646 56.100 -0.132 0.000 0.959 169 R CB -0.131 30.147 30.300 -0.036 0.000 0.856 169 R HN 0.185 nan 8.270 nan 0.000 0.437 170 R N 0.720 121.175 120.500 -0.074 0.000 2.081 170 R HA -0.125 4.359 4.340 0.240 0.000 0.235 170 R C 2.369 178.503 176.300 -0.276 0.000 1.131 170 R CA 1.167 57.261 56.100 -0.009 0.000 0.960 170 R CB -1.001 29.451 30.300 0.255 0.000 0.856 170 R HN 0.375 nan 8.270 nan 0.000 0.436 171 L N 0.920 121.769 121.223 -0.623 0.000 1.989 171 L HA -0.205 4.279 4.340 0.240 0.000 0.211 171 L C 2.566 178.957 176.870 -0.798 0.000 1.071 171 L CA 1.660 55.724 54.840 -1.294 0.000 0.749 171 L CB -0.191 41.061 42.059 -1.345 0.000 0.890 171 L HN 0.172 nan 8.230 nan 0.000 0.431 172 R N -0.907 119.169 120.500 -0.707 0.000 2.120 172 R HA -0.182 4.302 4.340 0.240 0.000 0.234 172 R C 2.339 178.429 176.300 -0.350 0.000 1.123 172 R CA 1.187 56.960 56.100 -0.546 0.000 0.975 172 R CB -0.171 29.770 30.300 -0.598 0.000 0.866 172 R HN 0.329 nan 8.270 nan 0.000 0.446 173 R N 0.092 120.412 120.500 -0.300 0.000 2.090 173 R HA -0.051 4.433 4.340 0.240 0.000 0.228 173 R C 2.096 178.291 176.300 -0.176 0.000 1.110 173 R CA 0.832 56.818 56.100 -0.190 0.000 0.973 173 R CB 0.019 30.239 30.300 -0.133 0.000 0.869 173 R HN 0.015 nan 8.270 nan 0.000 0.440 174 V N 1.041 120.819 119.914 -0.226 0.000 2.295 174 V HA -0.246 4.018 4.120 0.240 0.000 0.246 174 V C 2.122 178.103 176.094 -0.190 0.000 1.049 174 V CA 1.671 63.861 62.300 -0.184 0.000 1.024 174 V CB -0.333 31.354 31.823 -0.226 0.000 0.648 174 V HN 0.331 nan 8.190 nan 0.000 0.447 175 L N -0.111 120.961 121.223 -0.252 0.000 2.291 175 L HA -0.022 4.462 4.340 0.240 0.000 0.214 175 L C 2.681 179.451 176.870 -0.167 0.000 1.120 175 L CA 0.924 55.636 54.840 -0.213 0.000 0.799 175 L CB -0.774 41.138 42.059 -0.245 0.000 0.925 175 L HN 0.334 nan 8.230 nan 0.000 0.446 176 A N 0.330 123.053 122.820 -0.161 0.000 1.892 176 A HA -0.285 4.179 4.320 0.240 0.000 0.218 176 A C 1.748 179.272 177.584 -0.101 0.000 1.188 176 A CA 2.512 54.474 52.037 -0.126 0.000 0.631 176 A CB -0.501 18.429 19.000 -0.116 0.000 0.822 176 A HN 0.368 nan 8.150 nan 0.000 0.447 177 D N -1.773 118.570 120.400 -0.095 0.000 2.369 177 D HA 0.203 4.987 4.640 0.240 0.000 0.211 177 D C 0.393 176.640 176.300 -0.088 0.000 1.077 177 D CA -0.105 53.848 54.000 -0.079 0.000 0.842 177 D CB -0.016 40.746 40.800 -0.063 0.000 0.947 177 D HN 0.345 nan 8.370 nan 0.000 0.509 178 M N 1.222 120.754 119.600 -0.112 0.000 2.513 178 M HA 0.050 4.674 4.480 0.240 0.000 0.341 178 M C -1.499 174.714 176.300 -0.145 0.000 1.689 178 M CA -1.144 54.072 55.300 -0.141 0.000 1.202 178 M CB 0.991 33.486 32.600 -0.173 0.000 1.996 178 M HN -0.120 nan 8.290 nan 0.000 0.458 179 P HA -0.140 nan 4.420 nan 0.000 0.216 179 P C -0.709 176.513 177.300 -0.130 0.000 1.153 179 P CA 1.357 64.394 63.100 -0.105 0.000 0.858 179 P CB 0.250 31.904 31.700 -0.077 0.000 0.789 180 E N -1.332 118.728 120.200 -0.233 0.000 2.166 180 E HA 0.136 4.630 4.350 0.240 0.000 0.275 180 E C 0.652 177.060 176.600 -0.319 0.000 0.941 180 E CA -0.457 55.777 56.400 -0.277 0.000 0.784 180 E CB 1.159 30.591 29.700 -0.447 0.000 1.115 180 E HN -0.126 nan 8.360 nan 0.000 0.399 181 Q N 4.101 123.815 119.800 -0.144 0.000 2.135 181 Q HA -0.174 4.310 4.340 0.240 0.000 0.204 181 Q C 1.549 177.509 176.000 -0.066 0.000 0.981 181 Q CA 2.018 57.767 55.803 -0.090 0.000 0.856 181 Q CB -0.047 28.678 28.738 -0.022 0.000 0.902 181 Q HN 0.860 nan 8.270 nan 0.000 0.425 182 W N 0.072 121.369 121.300 -0.005 0.000 2.342 182 W HA -0.172 4.632 4.660 0.240 0.000 0.297 182 W C 1.305 177.864 176.519 0.067 0.000 1.213 182 W CA 1.380 58.734 57.345 0.016 0.000 1.251 182 W CB -0.662 28.812 29.460 0.024 0.000 1.136 182 W HN 0.298 nan 8.180 nan 0.000 0.526 183 E N 0.808 120.532 120.200 -0.792 0.000 2.112 183 E HA -0.136 4.358 4.350 0.240 0.000 0.190 183 E C 2.445 178.903 176.600 -0.236 0.000 0.979 183 E CA 0.785 56.763 56.400 -0.704 0.000 0.814 183 E CB -0.068 28.954 29.700 -1.131 0.000 0.762 183 E HN 0.244 nan 8.360 nan 0.000 0.460 184 R N 0.750 121.120 120.500 -0.217 0.000 2.105 184 R HA -0.141 4.343 4.340 0.240 0.000 0.239 184 R C 1.834 178.136 176.300 0.003 0.000 1.135 184 R CA 1.486 57.521 56.100 -0.109 0.000 0.967 184 R CB -0.235 29.990 30.300 -0.125 0.000 0.861 184 R HN 0.188 nan 8.270 nan 0.000 0.442 185 D N 0.801 121.235 120.400 0.057 0.000 2.123 185 D HA -0.139 4.645 4.640 0.240 0.000 0.196 185 D C 1.951 178.510 176.300 0.432 0.000 0.992 185 D CA 0.949 55.059 54.000 0.184 0.000 0.833 185 D CB -0.127 40.696 40.800 0.038 0.000 0.954 185 D HN 0.097 nan 8.370 nan 0.000 0.455 186 I N 1.287 122.099 120.570 0.402 0.000 2.163 186 I HA -0.233 4.081 4.170 0.240 0.000 0.243 186 I C 2.500 178.747 176.117 0.217 0.000 1.085 186 I CA 0.872 62.370 61.300 0.330 0.000 1.347 186 I CB -1.247 36.937 38.000 0.306 0.000 1.044 186 I HN -0.097 nan 8.210 nan 0.000 0.408 187 A N 0.667 123.586 122.820 0.164 0.000 1.883 187 A HA -0.160 4.304 4.320 0.240 0.000 0.217 187 A C 2.551 180.267 177.584 0.220 0.000 1.186 187 A CA 1.987 54.130 52.037 0.176 0.000 0.624 187 A CB -1.031 17.994 19.000 0.041 0.000 0.822 187 A HN 0.251 nan 8.150 nan 0.000 0.444 188 V N 0.119 120.118 119.914 0.142 0.000 2.295 188 V HA -0.256 4.008 4.120 0.240 0.000 0.246 188 V C 2.479 178.690 176.094 0.195 0.000 1.049 188 V CA 1.870 64.257 62.300 0.145 0.000 1.024 188 V CB -0.745 31.136 31.823 0.095 0.000 0.648 188 V HN 0.625 nan 8.190 nan 0.000 0.447 189 L N -0.119 121.226 121.223 0.203 0.000 1.989 189 L HA -0.190 4.294 4.340 0.240 0.000 0.211 189 L C 2.484 179.392 176.870 0.062 0.000 1.071 189 L CA 2.065 56.969 54.840 0.107 0.000 0.749 189 L CB -0.294 41.748 42.059 -0.027 0.000 0.890 189 L HN 0.214 nan 8.230 nan 0.000 0.431 190 V N -1.058 118.919 119.914 0.105 0.000 2.343 190 V HA -0.342 3.922 4.120 0.240 0.000 0.247 190 V C 2.254 178.395 176.094 0.078 0.000 1.051 190 V CA 1.999 64.342 62.300 0.070 0.000 1.036 190 V CB -0.698 31.182 31.823 0.094 0.000 0.654 190 V HN 0.602 nan 8.190 nan 0.000 0.451 191 W N 0.758 122.066 121.300 0.013 0.000 2.355 191 W HA -0.148 4.654 4.660 0.236 0.000 0.309 191 W C 2.393 178.910 176.519 -0.003 0.000 1.206 191 W CA 1.865 59.257 57.345 0.078 0.000 1.284 191 W CB -0.693 28.845 29.460 0.130 0.000 1.145 191 W HN 0.403 nan 8.180 nan 0.000 0.502 192 G N -0.030 108.870 108.800 0.167 0.000 2.418 192 G HA2 -0.197 3.907 3.960 0.240 0.000 0.217 192 G HA3 -0.197 3.907 3.960 0.240 0.000 0.217 192 G C 1.656 176.446 174.900 -0.182 0.000 1.158 192 G CA 1.458 46.529 45.100 -0.047 0.000 0.771 192 G HN 0.290 nan 8.290 nan 0.000 0.545 193 A N 0.155 122.888 122.820 -0.145 0.000 1.877 193 A HA 0.064 4.528 4.320 0.240 0.000 0.216 193 A C 2.611 180.059 177.584 -0.226 0.000 1.186 193 A CA 1.859 53.806 52.037 -0.150 0.000 0.620 193 A CB -0.672 18.267 19.000 -0.102 0.000 0.822 193 A HN 0.252 nan 8.150 nan 0.000 0.443 194 V N -0.109 119.602 119.914 -0.338 0.000 2.295 194 V HA -0.241 4.023 4.120 0.240 0.000 0.246 194 V C 3.071 178.675 176.094 -0.816 0.000 1.049 194 V CA 1.867 63.837 62.300 -0.549 0.000 1.024 194 V CB -1.266 30.150 31.823 -0.678 0.000 0.648 194 V HN 0.621 nan 8.190 nan 0.000 0.447 195 A N -0.512 121.742 122.820 -0.943 0.000 1.948 195 A HA -0.242 4.222 4.320 0.240 0.000 0.220 195 A C 2.148 179.554 177.584 -0.297 0.000 1.177 195 A CA 1.916 53.529 52.037 -0.707 0.000 0.636 195 A CB -0.355 18.540 19.000 -0.175 0.000 0.815 195 A HN 0.549 nan 8.150 nan 0.000 0.449 196 E N -0.999 119.081 120.200 -0.200 0.000 2.385 196 E HA -0.040 4.454 4.350 0.240 0.000 0.194 196 E C 1.744 178.341 176.600 -0.006 0.000 1.013 196 E CA 1.325 57.713 56.400 -0.020 0.000 0.866 196 E CB -0.107 29.618 29.700 0.041 0.000 0.832 196 E HN 0.826 nan 8.360 nan 0.000 0.500 197 T N -2.967 111.526 114.554 -0.102 0.000 3.054 197 T HA 0.133 4.627 4.350 0.240 0.000 0.255 197 T C 0.920 175.550 174.700 -0.116 0.000 1.035 197 T CA -0.325 61.735 62.100 -0.067 0.000 0.941 197 T CB -0.250 68.585 68.868 -0.055 0.000 1.026 197 T HN -0.082 nan 8.240 nan 0.000 0.533 198 C N 2.581 121.739 119.300 -0.236 0.000 2.317 198 C HA 0.579 5.184 4.460 0.240 0.000 0.306 198 C C 0.291 175.145 174.990 -0.227 0.000 1.087 198 C CA -1.588 57.217 59.018 -0.355 0.000 1.529 198 C CB -1.376 25.949 27.740 -0.693 0.000 1.880 198 C HN 0.578 nan 8.230 nan 0.000 0.417 199 I N 3.682 124.212 120.570 -0.066 0.000 2.452 199 I HA 0.057 4.371 4.170 0.240 0.000 0.287 199 I C 0.747 176.927 176.117 0.104 0.000 1.079 199 I CA 0.323 61.655 61.300 0.054 0.000 1.387 199 I CB 0.179 38.284 38.000 0.175 0.000 1.404 199 I HN 0.602 nan 8.210 nan 0.000 0.522 200 N N 5.102 123.827 118.700 0.042 0.000 2.412 200 N HA -0.022 4.862 4.740 0.240 0.000 0.258 200 N C 0.883 176.369 175.510 -0.041 0.000 1.236 200 N CA 0.435 53.516 53.050 0.051 0.000 0.882 200 N CB 1.292 39.825 38.487 0.077 0.000 1.066 200 N HN 0.765 nan 8.380 nan 0.000 0.465 201 A N 5.072 127.889 122.820 -0.004 0.000 1.940 201 A HA -0.138 4.326 4.320 0.240 0.000 0.219 201 A C 2.280 179.574 177.584 -0.482 0.000 1.176 201 A CA 1.090 52.959 52.037 -0.280 0.000 0.631 201 A CB -0.414 18.632 19.000 0.078 0.000 0.814 201 A HN 0.781 nan 8.150 nan 0.000 0.446 202 L N -1.154 119.919 121.223 -0.250 0.000 2.083 202 L HA -0.164 4.320 4.340 0.240 0.000 0.209 202 L C 2.548 179.166 176.870 -0.420 0.000 1.083 202 L CA 1.100 55.739 54.840 -0.335 0.000 0.752 202 L CB -0.600 41.297 42.059 -0.269 0.000 0.899 202 L HN 0.488 nan 8.230 nan 0.000 0.433 203 L N 0.476 121.544 121.223 -0.258 0.000 1.989 203 L HA -0.198 4.286 4.340 0.240 0.000 0.211 203 L C 2.601 179.313 176.870 -0.263 0.000 1.071 203 L CA 2.247 56.985 54.840 -0.170 0.000 0.749 203 L CB -0.675 41.328 42.059 -0.094 0.000 0.890 203 L HN 0.140 nan 8.230 nan 0.000 0.431 204 A N -0.948 121.601 122.820 -0.452 0.000 1.929 204 A HA -0.056 4.408 4.320 0.240 0.000 0.216 204 A C 2.240 179.528 177.584 -0.492 0.000 1.176 204 A CA 1.637 53.378 52.037 -0.493 0.000 0.628 204 A CB -0.758 17.734 19.000 -0.848 0.000 0.816 204 A HN 0.510 nan 8.150 nan 0.000 0.444 205 L N -0.741 120.109 121.223 -0.622 0.000 2.109 205 L HA -0.088 4.396 4.340 0.240 0.000 0.207 205 L C 2.473 179.143 176.870 -0.334 0.000 1.086 205 L CA 0.721 55.284 54.840 -0.463 0.000 0.760 205 L CB -0.429 41.353 42.059 -0.463 0.000 0.910 205 L HN 0.346 nan 8.230 nan 0.000 0.437 206 L N -0.423 120.595 121.223 -0.342 0.000 2.093 206 L HA -0.179 4.305 4.340 0.240 0.000 0.208 206 L C 2.890 179.660 176.870 -0.167 0.000 1.085 206 L CA 1.053 55.732 54.840 -0.269 0.000 0.755 206 L CB -0.696 41.215 42.059 -0.247 0.000 0.904 206 L HN 0.234 nan 8.230 nan 0.000 0.435 207 A N 1.281 124.018 122.820 -0.139 0.000 1.917 207 A HA -0.243 4.221 4.320 0.240 0.000 0.219 207 A C 2.269 179.805 177.584 -0.080 0.000 1.182 207 A CA 2.125 54.117 52.037 -0.075 0.000 0.633 207 A CB -0.579 18.386 19.000 -0.058 0.000 0.819 207 A HN 0.589 nan 8.150 nan 0.000 0.448 208 R N -0.560 119.878 120.500 -0.104 0.000 2.310 208 R HA 0.125 4.609 4.340 0.240 0.000 0.202 208 R C -0.098 176.144 176.300 -0.095 0.000 0.933 208 R CA 0.434 56.485 56.100 -0.081 0.000 1.054 208 R CB -0.294 29.968 30.300 -0.064 0.000 0.985 208 R HN 0.371 nan 8.270 nan 0.000 0.489 209 D N 0.971 121.294 120.400 -0.127 0.000 2.317 209 D HA 0.142 4.926 4.640 0.240 0.000 0.252 209 D C 0.031 176.253 176.300 -0.130 0.000 1.174 209 D CA 0.029 53.945 54.000 -0.139 0.000 0.866 209 D CB 1.618 42.306 40.800 -0.186 0.000 1.127 209 D HN 0.334 nan 8.370 nan 0.000 0.467 210 A N 2.759 125.512 122.820 -0.111 0.000 2.275 210 A HA -0.019 4.445 4.320 0.240 0.000 0.212 210 A C 1.749 179.262 177.584 -0.118 0.000 1.201 210 A CA 0.483 52.455 52.037 -0.107 0.000 0.843 210 A CB -0.051 18.899 19.000 -0.083 0.000 0.873 210 A HN 0.636 nan 8.150 nan 0.000 0.492 211 T N -1.342 113.138 114.554 -0.123 0.000 3.067 211 T HA 0.283 4.777 4.350 0.240 0.000 0.257 211 T C 0.823 175.435 174.700 -0.147 0.000 1.105 211 T CA 0.495 62.525 62.100 -0.117 0.000 1.104 211 T CB -0.714 68.097 68.868 -0.096 0.000 0.925 211 T HN 0.528 nan 8.240 nan 0.000 0.498 212 I N -1.863 118.594 120.570 -0.189 0.000 3.076 212 I HA 0.521 4.835 4.170 0.240 0.000 0.313 212 I C -0.324 175.586 176.117 -0.345 0.000 1.053 212 I CA -1.614 59.536 61.300 -0.250 0.000 1.048 212 I CB 0.862 38.703 38.000 -0.266 0.000 1.264 212 I HN -0.234 nan 8.210 nan 0.000 0.498 213 Q N 2.661 122.144 119.800 -0.528 0.000 2.398 213 Q HA 0.000 4.484 4.340 0.240 0.000 0.329 213 Q C -1.681 173.990 176.000 -0.547 0.000 1.079 213 Q CA -0.809 54.587 55.803 -0.679 0.000 1.041 213 Q CB 0.349 28.325 28.738 -1.270 0.000 1.084 213 Q HN 0.477 nan 8.270 nan 0.000 0.386 214 P HA -0.192 nan 4.420 nan 0.000 0.218 214 P C 1.218 178.349 177.300 -0.282 0.000 1.149 214 P CA 1.343 64.274 63.100 -0.282 0.000 0.817 214 P CB -0.027 31.534 31.700 -0.231 0.000 0.785 215 M N -2.057 117.299 119.600 -0.407 0.000 2.374 215 M HA -0.099 4.526 4.480 0.240 0.000 0.264 215 M C 1.578 177.839 176.300 -0.066 0.000 1.067 215 M CA 1.776 56.831 55.300 -0.408 0.000 1.103 215 M CB -2.285 29.682 32.600 -1.055 0.000 1.402 215 M HN -0.015 nan 8.290 nan 0.000 0.444 216 H N 1.899 120.800 119.070 -0.281 0.000 2.307 216 H HA 0.058 4.761 4.556 0.244 0.000 0.303 216 H C 2.616 177.874 175.328 -0.117 0.000 1.073 216 H CA 2.120 57.993 56.048 -0.290 0.000 1.338 216 H CB -0.922 28.260 29.762 -0.966 0.000 1.389 216 H HN 0.622 nan 8.280 nan 0.000 0.503 217 S N 0.693 116.361 115.700 -0.054 0.000 2.399 217 S HA -0.113 4.501 4.470 0.240 0.000 0.231 217 S C 2.181 176.776 174.600 -0.009 0.000 1.022 217 S CA 1.108 59.278 58.200 -0.050 0.000 0.983 217 S CB -0.577 62.560 63.200 -0.104 0.000 0.803 217 S HN 0.229 nan 8.310 nan 0.000 0.480 218 L N 1.633 122.843 121.223 -0.020 0.000 2.005 218 L HA 0.206 4.690 4.340 0.240 0.000 0.207 218 L C 2.244 179.147 176.870 0.055 0.000 1.072 218 L CA 1.467 56.307 54.840 -0.001 0.000 0.744 218 L CB -0.693 41.342 42.059 -0.040 0.000 0.895 218 L HN 0.305 nan 8.230 nan 0.000 0.433 219 I N -0.315 120.304 120.570 0.081 0.000 2.208 219 I HA -0.340 3.974 4.170 0.240 0.000 0.245 219 I C 2.365 178.564 176.117 0.137 0.000 1.097 219 I CA 1.913 63.266 61.300 0.088 0.000 1.363 219 I CB -0.709 37.332 38.000 0.068 0.000 1.051 219 I HN 0.510 nan 8.210 nan 0.000 0.413 220 T N -2.975 111.695 114.554 0.195 0.000 2.904 220 T HA -0.123 4.371 4.350 0.240 0.000 0.267 220 T C 1.822 176.595 174.700 0.121 0.000 1.059 220 T CA 1.598 63.823 62.100 0.209 0.000 1.137 220 T CB -0.784 68.192 68.868 0.180 0.000 0.879 220 T HN 0.212 nan 8.240 nan 0.000 0.467 221 T N 2.576 117.177 114.554 0.078 0.000 2.684 221 T HA 0.041 4.535 4.350 0.240 0.000 0.267 221 T C 1.893 176.643 174.700 0.084 0.000 1.036 221 T CA 1.378 63.512 62.100 0.056 0.000 1.148 221 T CB -0.590 68.296 68.868 0.031 0.000 0.863 221 T HN 0.300 nan 8.240 nan 0.000 0.436 222 L N -0.206 121.082 121.223 0.107 0.000 2.012 222 L HA -0.165 4.319 4.340 0.240 0.000 0.210 222 L C 2.512 179.471 176.870 0.147 0.000 1.073 222 L CA 1.821 56.743 54.840 0.137 0.000 0.748 222 L CB -0.631 41.537 42.059 0.181 0.000 0.891 222 L HN 0.437 nan 8.230 nan 0.000 0.431 223 H N -0.529 118.532 119.070 -0.015 0.000 2.321 223 H HA -0.222 4.490 4.556 0.260 0.000 0.300 223 H C 2.236 177.508 175.328 -0.094 0.000 1.087 223 H CA 1.346 57.270 56.048 -0.207 0.000 1.319 223 H CB 0.240 29.932 29.762 -0.117 0.000 1.379 223 H HN 0.132 nan 8.280 nan 0.000 0.501 224 L N 1.287 122.581 121.223 0.119 0.000 2.042 224 L HA -0.168 4.316 4.340 0.240 0.000 0.210 224 L C 2.297 179.208 176.870 0.069 0.000 1.076 224 L CA 1.520 56.395 54.840 0.057 0.000 0.749 224 L CB -0.445 41.635 42.059 0.036 0.000 0.893 224 L HN 0.193 nan 8.230 nan 0.000 0.432 225 R N -0.489 120.057 120.500 0.077 0.000 2.091 225 R HA -0.160 4.324 4.340 0.240 0.000 0.238 225 R C 1.910 178.247 176.300 0.062 0.000 1.136 225 R CA 1.603 57.745 56.100 0.069 0.000 0.959 225 R CB -0.648 29.693 30.300 0.068 0.000 0.856 225 R HN 0.429 nan 8.270 nan 0.000 0.437 226 D N 0.323 120.767 120.400 0.073 0.000 2.117 226 D HA -0.144 4.640 4.640 0.240 0.000 0.198 226 D C 1.801 177.946 176.300 -0.260 0.000 0.982 226 D CA 1.067 55.063 54.000 -0.008 0.000 0.828 226 D CB -0.145 40.771 40.800 0.193 0.000 0.967 226 D HN 0.145 nan 8.370 nan 0.000 0.464 227 E N 0.182 120.335 120.200 -0.077 0.000 2.110 227 E HA -0.111 4.383 4.350 0.240 0.000 0.193 227 E C 1.819 178.452 176.600 0.054 0.000 0.988 227 E CA 1.216 57.612 56.400 -0.007 0.000 0.804 227 E CB -0.189 29.563 29.700 0.087 0.000 0.745 227 E HN 0.088 nan 8.360 nan 0.000 0.458 228 T N 0.020 114.607 114.554 0.054 0.000 2.720 228 T HA -0.179 4.315 4.350 0.240 0.000 0.268 228 T C 1.807 176.565 174.700 0.097 0.000 1.037 228 T CA 1.495 63.642 62.100 0.078 0.000 1.144 228 T CB -0.471 68.441 68.868 0.073 0.000 0.864 228 T HN 0.350 nan 8.240 nan 0.000 0.444 229 A N 1.083 123.960 122.820 0.095 0.000 1.898 229 A HA -0.145 4.319 4.320 0.240 0.000 0.216 229 A C 1.917 179.655 177.584 0.256 0.000 1.181 229 A CA 1.601 53.731 52.037 0.155 0.000 0.620 229 A CB -0.953 18.155 19.000 0.179 0.000 0.819 229 A HN 0.713 nan 8.150 nan 0.000 0.442 230 H N -1.026 118.153 119.070 0.183 0.000 2.352 230 H HA -0.110 4.589 4.556 0.239 0.000 0.299 230 H C 2.421 177.855 175.328 0.178 0.000 1.097 230 H CA 0.393 56.566 56.048 0.209 0.000 1.311 230 H CB -0.096 29.852 29.762 0.310 0.000 1.377 230 H HN 0.550 nan 8.280 nan 0.000 0.504 231 G N 0.215 109.169 108.800 0.257 0.000 2.440 231 G HA2 -0.287 3.817 3.960 0.240 0.000 0.218 231 G HA3 -0.287 3.817 3.960 0.240 0.000 0.218 231 G C 1.841 176.810 174.900 0.116 0.000 1.154 231 G CA 1.075 46.264 45.100 0.149 0.000 0.767 231 G HN 0.305 nan 8.290 nan 0.000 0.552 232 S N 0.613 116.382 115.700 0.115 0.000 2.368 232 S HA -0.044 4.570 4.470 0.240 0.000 0.225 232 S C 2.269 176.922 174.600 0.088 0.000 1.030 232 S CA 0.948 59.200 58.200 0.086 0.000 0.999 232 S CB -0.222 63.026 63.200 0.080 0.000 0.844 232 S HN 0.395 nan 8.310 nan 0.000 0.459 233 I N 1.201 121.841 120.570 0.117 0.000 2.163 233 I HA -0.165 4.149 4.170 0.240 0.000 0.243 233 I C 2.239 178.416 176.117 0.100 0.000 1.085 233 I CA 0.999 62.356 61.300 0.095 0.000 1.347 233 I CB -0.562 37.487 38.000 0.083 0.000 1.044 233 I HN 0.147 nan 8.210 nan 0.000 0.408 234 V N 0.426 120.424 119.914 0.141 0.000 2.343 234 V HA -0.243 4.021 4.120 0.240 0.000 0.247 234 V C 2.469 178.598 176.094 0.057 0.000 1.051 234 V CA 1.562 63.936 62.300 0.123 0.000 1.036 234 V CB -0.382 31.515 31.823 0.123 0.000 0.654 234 V HN 0.236 nan 8.190 nan 0.000 0.451 235 V N -0.055 119.886 119.914 0.045 0.000 2.252 235 V HA -0.258 4.006 4.120 0.240 0.000 0.249 235 V C 2.632 178.737 176.094 0.018 0.000 1.056 235 V CA 2.107 64.418 62.300 0.017 0.000 1.022 235 V CB -0.657 31.175 31.823 0.014 0.000 0.641 235 V HN 0.577 nan 8.190 nan 0.000 0.445 236 E N -0.070 120.149 120.200 0.032 0.000 2.051 236 E HA -0.165 4.329 4.350 0.240 0.000 0.192 236 E C 2.299 178.919 176.600 0.032 0.000 0.991 236 E CA 1.411 57.829 56.400 0.030 0.000 0.799 236 E CB -0.621 29.099 29.700 0.032 0.000 0.748 236 E HN 0.504 nan 8.360 nan 0.000 0.449 237 V N 1.179 121.117 119.914 0.040 0.000 2.307 237 V HA -0.185 4.079 4.120 0.240 0.000 0.245 237 V C 2.615 178.725 176.094 0.027 0.000 1.045 237 V CA 1.195 63.520 62.300 0.042 0.000 1.024 237 V CB -0.498 31.364 31.823 0.065 0.000 0.651 237 V HN 0.044 nan 8.190 nan 0.000 0.449 238 V N 0.214 120.136 119.914 0.013 0.000 2.332 238 V HA -0.282 3.982 4.120 0.240 0.000 0.248 238 V C 2.607 178.713 176.094 0.019 0.000 1.055 238 V CA 2.388 64.680 62.300 -0.014 0.000 1.038 238 V CB -0.841 30.958 31.823 -0.041 0.000 0.651 238 V HN 0.499 nan 8.190 nan 0.000 0.450 239 R N 0.043 120.555 120.500 0.020 0.000 2.083 239 R HA -0.190 4.294 4.340 0.240 0.000 0.237 239 R C 2.310 178.663 176.300 0.089 0.000 1.137 239 R CA 1.852 57.982 56.100 0.051 0.000 0.951 239 R CB -0.229 30.090 30.300 0.031 0.000 0.851 239 R HN 0.515 nan 8.270 nan 0.000 0.434 240 E N 0.737 120.973 120.200 0.060 0.000 2.110 240 E HA -0.176 4.318 4.350 0.240 0.000 0.193 240 E C 2.165 178.803 176.600 0.063 0.000 0.988 240 E CA 1.043 57.477 56.400 0.057 0.000 0.804 240 E CB -0.198 29.529 29.700 0.044 0.000 0.745 240 E HN 0.434 nan 8.360 nan 0.000 0.458 241 L N -0.395 120.863 121.223 0.058 0.000 2.072 241 L HA -0.135 4.349 4.340 0.240 0.000 0.205 241 L C 2.584 179.496 176.870 0.069 0.000 1.079 241 L CA 0.960 55.828 54.840 0.047 0.000 0.752 241 L CB -0.582 41.458 42.059 -0.032 0.000 0.906 241 L HN 0.085 nan 8.230 nan 0.000 0.436 242 Y N 1.226 121.502 120.300 -0.039 0.000 2.207 242 Y HA -0.309 4.385 4.550 0.241 0.000 0.287 242 Y C 2.503 178.402 175.900 -0.002 0.000 1.156 242 Y CA 1.344 59.431 58.100 -0.022 0.000 1.182 242 Y CB -0.214 38.233 38.460 -0.021 0.000 0.979 242 Y HN 0.116 nan 8.280 nan 0.000 0.521 243 A N 0.345 123.215 122.820 0.083 0.000 1.978 243 A HA -0.168 4.296 4.320 0.240 0.000 0.220 243 A C 2.171 179.724 177.584 -0.052 0.000 1.170 243 A CA 1.664 53.703 52.037 0.004 0.000 0.636 243 A CB -0.381 18.652 19.000 0.055 0.000 0.810 243 A HN 0.403 nan 8.150 nan 0.000 0.448 244 R N -1.278 119.207 120.500 -0.025 0.000 2.254 244 R HA 0.265 4.749 4.340 0.240 0.000 0.195 244 R C 0.476 176.751 176.300 -0.041 0.000 0.957 244 R CA -0.036 56.052 56.100 -0.020 0.000 1.024 244 R CB -0.445 29.867 30.300 0.019 0.000 0.952 244 R HN 0.530 nan 8.270 nan 0.000 0.484 245 M N 2.362 121.920 119.600 -0.071 0.000 2.250 245 M HA -0.063 4.561 4.480 0.240 0.000 0.325 245 M C 0.561 176.780 176.300 -0.135 0.000 1.084 245 M CA 0.088 55.339 55.300 -0.082 0.000 1.161 245 M CB 0.325 32.866 32.600 -0.099 0.000 1.481 245 M HN 0.036 nan 8.290 nan 0.000 0.449 246 N N 1.079 119.702 118.700 -0.129 0.000 2.379 246 N HA 0.092 4.976 4.740 0.240 0.000 0.260 246 N C 0.259 175.676 175.510 -0.155 0.000 1.254 246 N CA -0.418 52.545 53.050 -0.145 0.000 0.958 246 N CB 0.374 38.768 38.487 -0.156 0.000 1.208 246 N HN 0.440 nan 8.380 nan 0.000 0.532 247 E N -0.467 119.656 120.200 -0.129 0.000 2.085 247 E HA -0.276 4.218 4.350 0.240 0.000 0.194 247 E C 1.676 178.237 176.600 -0.066 0.000 0.994 247 E CA 1.673 58.016 56.400 -0.095 0.000 0.801 247 E CB -0.477 29.186 29.700 -0.061 0.000 0.743 247 E HN 0.883 nan 8.360 nan 0.000 0.453 248 Q N 0.205 119.942 119.800 -0.104 0.000 2.172 248 Q HA -0.118 4.366 4.340 0.240 0.000 0.200 248 Q C 1.996 178.000 176.000 0.006 0.000 0.964 248 Q CA 1.108 56.878 55.803 -0.055 0.000 0.855 248 Q CB -0.207 28.461 28.738 -0.117 0.000 0.918 248 Q HN 0.275 nan 8.270 nan 0.000 0.444 249 Q N 0.514 120.239 119.800 -0.125 0.000 2.046 249 Q HA -0.084 4.400 4.340 0.240 0.000 0.200 249 Q C 2.265 178.353 176.000 0.146 0.000 0.975 249 Q CA 1.411 57.265 55.803 0.084 0.000 0.836 249 Q CB 0.048 28.791 28.738 0.008 0.000 0.896 249 Q HN 0.398 nan 8.270 nan 0.000 0.428 250 R N 0.252 120.755 120.500 0.007 0.000 2.083 250 R HA -0.111 4.373 4.340 0.240 0.000 0.237 250 R C 2.343 178.759 176.300 0.192 0.000 1.137 250 R CA 1.284 57.386 56.100 0.004 0.000 0.951 250 R CB -0.203 29.921 30.300 -0.292 0.000 0.851 250 R HN 0.177 nan 8.270 nan 0.000 0.434 251 R N 0.134 120.714 120.500 0.134 0.000 2.096 251 R HA -0.152 4.332 4.340 0.240 0.000 0.240 251 R C 2.353 178.768 176.300 0.191 0.000 1.139 251 R CA 1.588 57.782 56.100 0.156 0.000 0.952 251 R CB -0.428 29.948 30.300 0.126 0.000 0.854 251 R HN 0.239 nan 8.270 nan 0.000 0.436 252 A N 1.265 124.234 122.820 0.248 0.000 1.877 252 A HA -0.180 4.284 4.320 0.240 0.000 0.216 252 A C 2.167 179.875 177.584 0.206 0.000 1.186 252 A CA 1.228 53.415 52.037 0.251 0.000 0.620 252 A CB -0.622 18.605 19.000 0.380 0.000 0.822 252 A HN 0.350 nan 8.150 nan 0.000 0.443 253 L N -0.135 121.227 121.223 0.232 0.000 2.012 253 L HA -0.174 4.310 4.340 0.240 0.000 0.210 253 L C 2.400 179.353 176.870 0.138 0.000 1.073 253 L CA 1.854 56.808 54.840 0.190 0.000 0.748 253 L CB -0.267 41.939 42.059 0.244 0.000 0.891 253 L HN 0.212 nan 8.230 nan 0.000 0.431 254 V N 0.115 120.129 119.914 0.166 0.000 2.332 254 V HA -0.307 3.957 4.120 0.240 0.000 0.248 254 V C 2.675 178.821 176.094 0.087 0.000 1.055 254 V CA 2.220 64.587 62.300 0.111 0.000 1.038 254 V CB -0.768 31.139 31.823 0.141 0.000 0.651 254 V HN 0.473 nan 8.190 nan 0.000 0.450 255 R N -0.935 119.627 120.500 0.103 0.000 2.096 255 R HA -0.182 4.302 4.340 0.240 0.000 0.235 255 R C 2.380 178.729 176.300 0.082 0.000 1.127 255 R CA 1.741 57.893 56.100 0.087 0.000 0.968 255 R CB -0.857 29.499 30.300 0.093 0.000 0.861 255 R HN 0.571 nan 8.270 nan 0.000 0.440 256 C N 0.792 120.152 119.300 0.099 0.000 2.446 256 C HA 0.082 4.686 4.460 0.240 0.000 0.279 256 C C 2.504 177.519 174.990 0.042 0.000 1.366 256 C CA 0.097 59.188 59.018 0.123 0.000 1.763 256 C CB -1.015 26.832 27.740 0.178 0.000 1.929 256 C HN 0.429 nan 8.230 nan 0.000 0.509 257 L N 1.969 123.192 121.223 -0.000 0.000 1.971 257 L HA -0.113 4.371 4.340 0.240 0.000 0.215 257 L C -0.028 176.743 176.870 -0.164 0.000 1.072 257 L CA 2.380 57.169 54.840 -0.086 0.000 0.758 257 L CB -1.760 40.264 42.059 -0.057 0.000 0.889 257 L HN 0.271 nan 8.230 nan 0.000 0.433 258 P HA -0.180 nan 4.420 nan 0.000 0.218 258 P C 1.769 178.990 177.300 -0.131 0.000 1.148 258 P CA 1.653 64.680 63.100 -0.123 0.000 0.822 258 P CB -0.018 31.684 31.700 0.003 0.000 0.784 259 I N 0.128 120.658 120.570 -0.067 0.000 2.202 259 I HA -0.209 4.105 4.170 0.240 0.000 0.242 259 I C 2.638 178.626 176.117 -0.215 0.000 1.091 259 I CA 1.507 62.797 61.300 -0.017 0.000 1.368 259 I CB -0.829 37.254 38.000 0.139 0.000 1.058 259 I HN -0.093 nan 8.210 nan 0.000 0.410 260 A N 0.766 123.271 122.820 -0.526 0.000 1.902 260 A HA -0.146 4.318 4.320 0.240 0.000 0.217 260 A C 2.305 179.587 177.584 -0.502 0.000 1.181 260 A CA 1.340 52.734 52.037 -1.071 0.000 0.623 260 A CB -0.844 17.515 19.000 -1.067 0.000 0.818 260 A HN 0.362 nan 8.150 nan 0.000 0.443 261 L N -1.071 119.861 121.223 -0.486 0.000 2.017 261 L HA -0.210 4.274 4.340 0.240 0.000 0.208 261 L C 2.687 179.316 176.870 -0.402 0.000 1.073 261 L CA 1.802 56.248 54.840 -0.655 0.000 0.745 261 L CB -0.446 40.714 42.059 -1.499 0.000 0.894 261 L HN 0.378 nan 8.230 nan 0.000 0.432 262 E N 0.098 120.164 120.200 -0.223 0.000 2.110 262 E HA -0.183 4.311 4.350 0.240 0.000 0.193 262 E C 2.137 178.778 176.600 0.067 0.000 0.988 262 E CA 1.317 57.761 56.400 0.073 0.000 0.804 262 E CB -0.122 29.632 29.700 0.090 0.000 0.745 262 E HN 0.402 nan 8.360 nan 0.000 0.458 263 A N -0.464 122.352 122.820 -0.006 0.000 1.902 263 A HA -0.155 4.309 4.320 0.240 0.000 0.217 263 A C 1.934 179.460 177.584 -0.096 0.000 1.181 263 A CA 1.355 53.377 52.037 -0.024 0.000 0.623 263 A CB -0.816 18.189 19.000 0.008 0.000 0.818 263 A HN 0.336 nan 8.150 nan 0.000 0.443 264 F N -0.314 119.610 119.950 -0.044 0.000 2.558 264 F HA 0.127 4.786 4.527 0.220 0.000 0.298 264 F C 2.493 178.427 175.800 0.223 0.000 1.119 264 F CA 0.679 58.699 58.000 0.033 0.000 1.451 264 F CB -0.064 38.887 39.000 -0.082 0.000 1.091 264 F HN 0.249 nan 8.300 nan 0.000 0.563 265 A N -0.707 122.377 122.820 0.440 0.000 2.169 265 A HA -0.042 4.422 4.320 0.240 0.000 0.212 265 A C 0.957 178.678 177.584 0.229 0.000 1.153 265 A CA 0.036 52.333 52.037 0.433 0.000 0.756 265 A CB -0.564 18.647 19.000 0.352 0.000 0.813 265 A HN 0.278 nan 8.150 nan 0.000 0.471 266 E N 0.724 121.014 120.200 0.150 0.000 2.257 266 E HA 0.192 4.686 4.350 0.240 0.000 0.278 266 E C -0.366 176.282 176.600 0.080 0.000 1.049 266 E CA -0.303 56.151 56.400 0.089 0.000 0.876 266 E CB 0.311 30.041 29.700 0.051 0.000 1.035 266 E HN 0.359 nan 8.360 nan 0.000 0.419 267 Q N 3.603 123.450 119.800 0.078 0.000 2.296 267 Q HA 0.186 4.670 4.340 0.240 0.000 0.257 267 Q C -1.629 174.401 176.000 0.051 0.000 0.942 267 Q CA -0.139 55.707 55.803 0.072 0.000 0.939 267 Q CB 1.258 30.044 28.738 0.081 0.000 1.198 267 Q HN 0.408 nan 8.270 nan 0.000 0.429 268 D N 3.330 123.756 120.400 0.043 0.000 2.462 268 D HA 0.212 4.996 4.640 0.240 0.000 0.245 268 D C -0.381 175.940 176.300 0.035 0.000 1.122 268 D CA -0.394 53.625 54.000 0.032 0.000 0.864 268 D CB 0.690 41.502 40.800 0.020 0.000 1.098 268 D HN 0.654 nan 8.370 nan 0.000 0.541 269 L N 1.551 122.796 121.223 0.036 0.000 3.036 269 L HA 0.415 4.899 4.340 0.240 0.000 0.237 269 L C 1.067 177.949 176.870 0.019 0.000 1.319 269 L CA -0.383 54.481 54.840 0.040 0.000 1.112 269 L CB 0.415 42.507 42.059 0.055 0.000 1.480 269 L HN 0.232 nan 8.230 nan 0.000 0.506 270 S N 0.825 116.533 115.700 0.012 0.000 2.406 270 S HA 0.019 4.633 4.470 0.240 0.000 0.228 270 S C 2.075 176.673 174.600 -0.002 0.000 1.020 270 S CA 1.372 59.572 58.200 0.001 0.000 0.965 270 S CB 0.200 63.401 63.200 0.000 0.000 0.798 270 S HN 0.748 nan 8.310 nan 0.000 0.488 271 A N 1.341 124.166 122.820 0.008 0.000 1.929 271 A HA 0.086 4.550 4.320 0.240 0.000 0.216 271 A C 1.958 179.549 177.584 0.011 0.000 1.176 271 A CA 0.838 52.879 52.037 0.007 0.000 0.628 271 A CB -0.491 18.517 19.000 0.013 0.000 0.816 271 A HN 0.461 nan 8.150 nan 0.000 0.444 272 L N -0.792 120.448 121.223 0.028 0.000 2.046 272 L HA -0.135 4.349 4.340 0.240 0.000 0.208 272 L C 2.498 179.332 176.870 -0.060 0.000 1.077 272 L CA 1.538 56.399 54.840 0.035 0.000 0.747 272 L CB -1.439 40.682 42.059 0.104 0.000 0.896 272 L HN 0.448 nan 8.230 nan 0.000 0.432 273 L N -0.247 120.938 121.223 -0.062 0.000 2.012 273 L HA -0.211 4.273 4.340 0.240 0.000 0.210 273 L C 2.484 179.315 176.870 -0.065 0.000 1.073 273 L CA 1.687 56.477 54.840 -0.084 0.000 0.748 273 L CB -0.637 41.388 42.059 -0.058 0.000 0.891 273 L HN 0.126 nan 8.230 nan 0.000 0.431 274 L N -0.846 120.355 121.223 -0.037 0.000 2.046 274 L HA -0.193 4.291 4.340 0.240 0.000 0.208 274 L C 2.664 179.521 176.870 -0.021 0.000 1.077 274 L CA 1.176 56.001 54.840 -0.026 0.000 0.747 274 L CB -0.696 41.353 42.059 -0.017 0.000 0.896 274 L HN 0.319 nan 8.230 nan 0.000 0.432 275 E N 0.198 120.389 120.200 -0.014 0.000 2.051 275 E HA -0.189 4.305 4.350 0.240 0.000 0.192 275 E C 2.356 178.957 176.600 0.001 0.000 0.991 275 E CA 1.160 57.564 56.400 0.007 0.000 0.799 275 E CB -0.291 29.429 29.700 0.034 0.000 0.748 275 E HN 0.474 nan 8.360 nan 0.000 0.449 276 L N 0.767 121.960 121.223 -0.051 0.000 2.017 276 L HA -0.206 4.278 4.340 0.240 0.000 0.208 276 L C 2.150 178.988 176.870 -0.053 0.000 1.073 276 L CA 1.263 56.055 54.840 -0.081 0.000 0.745 276 L CB -0.449 41.470 42.059 -0.233 0.000 0.894 276 L HN 0.144 nan 8.230 nan 0.000 0.432 277 N N -0.442 118.225 118.700 -0.056 0.000 2.166 277 N HA -0.179 4.705 4.740 0.240 0.000 0.186 277 N C 1.904 177.403 175.510 -0.019 0.000 1.019 277 N CA 1.059 54.086 53.050 -0.038 0.000 0.856 277 N CB -0.147 38.318 38.487 -0.037 0.000 0.993 277 N HN 0.330 nan 8.380 nan 0.000 0.426 278 A N 1.160 123.974 122.820 -0.010 0.000 1.865 278 A HA -0.077 4.387 4.320 0.240 0.000 0.217 278 A C 2.235 179.826 177.584 0.012 0.000 1.191 278 A CA 1.824 53.864 52.037 0.004 0.000 0.623 278 A CB -1.011 17.995 19.000 0.011 0.000 0.826 278 A HN 0.352 nan 8.150 nan 0.000 0.444 279 A N -1.892 120.937 122.820 0.015 0.000 2.172 279 A HA 0.339 4.803 4.320 0.240 0.000 0.216 279 A C 1.928 179.504 177.584 -0.013 0.000 1.154 279 A CA 1.471 53.516 52.037 0.014 0.000 0.701 279 A CB -1.125 17.895 19.000 0.032 0.000 0.789 279 A HN 2.087 nan 8.150 nan 0.000 0.465 280 G N -0.961 107.831 108.800 -0.015 0.000 2.137 280 G HA2 -0.191 3.913 3.960 0.240 0.000 0.237 280 G HA3 -0.191 3.913 3.960 0.240 0.000 0.237 280 G C 0.009 174.886 174.900 -0.038 0.000 1.002 280 G CA 0.064 45.151 45.100 -0.022 0.000 0.702 280 G HN 0.419 nan 8.290 nan 0.000 0.515 281 I N 1.154 121.699 120.570 -0.042 0.000 2.517 281 I HA 0.137 4.451 4.170 0.240 0.000 0.285 281 I C 1.312 177.399 176.117 -0.050 0.000 1.106 281 I CA 0.020 61.291 61.300 -0.048 0.000 1.402 281 I CB 0.270 38.257 38.000 -0.023 0.000 1.399 281 I HN 0.146 nan 8.210 nan 0.000 0.535 282 R N 4.303 124.777 120.500 -0.043 0.000 2.442 282 R HA 0.272 4.756 4.340 0.240 0.000 0.291 282 R C 0.988 177.261 176.300 -0.045 0.000 1.069 282 R CA 0.518 56.596 56.100 -0.036 0.000 1.022 282 R CB 0.476 30.762 30.300 -0.022 0.000 0.976 282 R HN 0.994 nan 8.270 nan 0.000 0.443 283 G N 1.670 110.441 108.800 -0.049 0.000 2.149 283 G HA2 -0.315 3.789 3.960 0.240 0.000 0.235 283 G HA3 -0.315 3.789 3.960 0.240 0.000 0.235 283 G C 0.823 175.656 174.900 -0.112 0.000 1.018 283 G CA 0.161 45.224 45.100 -0.062 0.000 0.728 283 G HN 0.744 nan 8.290 nan 0.000 0.508 284 A N -0.019 122.734 122.820 -0.113 0.000 1.883 284 A HA 0.054 4.518 4.320 0.240 0.000 0.217 284 A C 2.097 179.592 177.584 -0.149 0.000 1.186 284 A CA 2.321 54.263 52.037 -0.159 0.000 0.624 284 A CB -0.345 18.579 19.000 -0.127 0.000 0.822 284 A HN 0.656 nan 8.150 nan 0.000 0.444 285 E N 0.223 120.366 120.200 -0.095 0.000 2.077 285 E HA -0.176 4.318 4.350 0.240 0.000 0.193 285 E C 1.890 178.452 176.600 -0.064 0.000 0.989 285 E CA 1.527 57.886 56.400 -0.070 0.000 0.800 285 E CB -0.298 29.376 29.700 -0.044 0.000 0.746 285 E HN 0.772 nan 8.360 nan 0.000 0.452 286 E N 0.332 120.494 120.200 -0.062 0.000 2.051 286 E HA -0.167 4.327 4.350 0.240 0.000 0.192 286 E C 2.101 178.663 176.600 -0.063 0.000 0.991 286 E CA 1.051 57.429 56.400 -0.037 0.000 0.799 286 E CB -0.168 29.523 29.700 -0.015 0.000 0.748 286 E HN 0.278 nan 8.360 nan 0.000 0.449 287 I N 0.398 120.851 120.570 -0.194 0.000 2.226 287 I HA -0.243 4.071 4.170 0.240 0.000 0.245 287 I C 2.330 178.356 176.117 -0.153 0.000 1.100 287 I CA 0.740 61.848 61.300 -0.320 0.000 1.374 287 I CB -0.170 37.513 38.000 -0.528 0.000 1.057 287 I HN 0.002 nan 8.210 nan 0.000 0.413 288 V N 0.918 120.740 119.914 -0.153 0.000 2.323 288 V HA -0.155 4.109 4.120 0.240 0.000 0.244 288 V C 2.543 178.626 176.094 -0.019 0.000 1.041 288 V CA 2.128 64.378 62.300 -0.083 0.000 1.025 288 V CB -1.186 30.579 31.823 -0.096 0.000 0.656 288 V HN 0.555 nan 8.190 nan 0.000 0.451 289 G N -0.860 107.929 108.800 -0.019 0.000 2.498 289 G HA2 -0.279 3.825 3.960 0.240 0.000 0.219 289 G HA3 -0.279 3.825 3.960 0.240 0.000 0.219 289 G C 1.380 176.299 174.900 0.030 0.000 1.119 289 G CA 0.903 46.006 45.100 0.006 0.000 0.766 289 G HN 0.552 nan 8.290 nan 0.000 0.552 290 D N -0.169 120.260 120.400 0.048 0.000 2.162 290 D HA 0.012 4.796 4.640 0.240 0.000 0.203 290 D C 1.530 177.883 176.300 0.089 0.000 0.967 290 D CA -0.068 53.987 54.000 0.092 0.000 0.840 290 D CB 0.082 40.992 40.800 0.183 0.000 0.972 290 D HN 0.207 nan 8.370 nan 0.000 0.482 300 L N 2.384 123.699 121.223 0.153 0.000 2.791 300 L HA 0.311 4.795 4.340 0.240 0.000 0.239 300 L C 0.333 177.327 176.870 0.206 0.000 1.203 300 L CA -0.181 54.753 54.840 0.156 0.000 1.002 300 L CB 1.313 43.428 42.059 0.094 0.000 1.295 300 L HN 0.282 nan 8.230 nan 0.000 0.504 301 V N 1.310 121.373 119.914 0.247 0.000 2.715 301 V HA 0.131 4.395 4.120 0.240 0.000 0.299 301 V C 0.871 177.184 176.094 0.365 0.000 1.054 301 V CA -0.276 62.200 62.300 0.293 0.000 1.077 301 V CB 0.922 32.906 31.823 0.268 0.000 0.972 301 V HN 0.413 nan 8.190 nan 0.000 0.484 302 R N 3.444 124.139 120.500 0.326 0.000 2.811 302 R HA 0.080 4.564 4.340 0.240 0.000 0.265 302 R C -0.308 176.110 176.300 0.197 0.000 1.026 302 R CA -0.122 56.083 56.100 0.175 0.000 1.142 302 R CB 0.180 30.320 30.300 -0.268 0.000 1.027 302 R HN 0.781 nan 8.270 nan 0.000 0.465 303 D N 1.387 121.879 120.400 0.154 0.000 2.365 303 D HA 0.028 4.812 4.640 0.240 0.000 0.237 303 D C -0.379 175.922 176.300 0.001 0.000 1.190 303 D CA -0.154 53.861 54.000 0.025 0.000 0.867 303 D CB 0.260 40.989 40.800 -0.119 0.000 1.050 303 D HN 0.331 nan 8.370 nan 0.000 0.491 304 F N 2.011 122.031 119.950 0.116 0.000 2.692 304 F HA 0.095 4.772 4.527 0.250 0.000 0.303 304 F C 2.309 178.198 175.800 0.149 0.000 1.114 304 F CA -0.198 57.918 58.000 0.193 0.000 1.361 304 F CB 0.110 39.339 39.000 0.383 0.000 1.063 304 F HN 0.306 nan 8.300 nan 0.000 0.550 305 S N 0.325 116.126 115.700 0.170 0.000 2.359 305 S HA -0.202 4.412 4.470 0.240 0.000 0.224 305 S C 2.568 177.185 174.600 0.028 0.000 1.035 305 S CA 1.574 59.809 58.200 0.058 0.000 1.018 305 S CB -0.817 62.383 63.200 -0.000 0.000 0.876 305 S HN 0.562 nan 8.310 nan 0.000 0.448 306 G N 1.124 109.945 108.800 0.035 0.000 2.421 306 G HA2 -0.071 4.033 3.960 0.240 0.000 0.216 306 G HA3 -0.071 4.033 3.960 0.240 0.000 0.216 306 G C 1.544 176.454 174.900 0.017 0.000 1.171 306 G CA 0.919 46.029 45.100 0.017 0.000 0.775 306 G HN 0.593 nan 8.290 nan 0.000 0.543 307 A N 0.284 123.143 122.820 0.065 0.000 1.969 307 A HA 0.075 4.539 4.320 0.240 0.000 0.218 307 A C 2.303 179.938 177.584 0.085 0.000 1.169 307 A CA 1.674 53.772 52.037 0.101 0.000 0.635 307 A CB -0.376 18.740 19.000 0.193 0.000 0.810 307 A HN 0.359 nan 8.150 nan 0.000 0.445 308 R N -0.089 120.394 120.500 -0.028 0.000 2.075 308 R HA -0.110 4.374 4.340 0.240 0.000 0.232 308 R C 2.049 178.213 176.300 -0.227 0.000 1.126 308 R CA 1.758 57.609 56.100 -0.415 0.000 0.963 308 R CB -0.204 29.729 30.300 -0.612 0.000 0.858 308 R HN 0.497 nan 8.270 nan 0.000 0.435 309 K N 0.073 120.401 120.400 -0.121 0.000 2.097 309 K HA -0.188 4.276 4.320 0.240 0.000 0.206 309 K C 2.108 178.667 176.600 -0.069 0.000 1.049 309 K CA 1.854 58.092 56.287 -0.082 0.000 0.933 309 K CB -0.149 32.324 32.500 -0.045 0.000 0.717 309 K HN 0.231 nan 8.250 nan 0.000 0.442 310 M N 0.655 120.222 119.600 -0.055 0.000 2.086 310 M HA -0.191 4.433 4.480 0.240 0.000 0.261 310 M C 1.888 178.138 176.300 -0.083 0.000 1.067 310 M CA 1.562 56.829 55.300 -0.056 0.000 1.116 310 M CB 0.023 32.596 32.600 -0.044 0.000 1.348 310 M HN -0.054 nan 8.290 nan 0.000 0.407 311 V N 0.511 120.379 119.914 -0.076 0.000 2.343 311 V HA -0.281 3.983 4.120 0.240 0.000 0.247 311 V C 2.127 178.163 176.094 -0.096 0.000 1.051 311 V CA 2.305 64.558 62.300 -0.079 0.000 1.036 311 V CB -0.812 30.998 31.823 -0.022 0.000 0.654 311 V HN 0.552 nan 8.190 nan 0.000 0.451 312 E N -0.476 119.663 120.200 -0.102 0.000 2.031 312 E HA -0.233 4.261 4.350 0.240 0.000 0.193 312 E C 2.384 178.946 176.600 -0.063 0.000 0.994 312 E CA 1.223 57.574 56.400 -0.082 0.000 0.800 312 E CB -0.118 29.530 29.700 -0.087 0.000 0.752 312 E HN 0.473 nan 8.360 nan 0.000 0.447 313 Q N -0.250 119.513 119.800 -0.062 0.000 2.291 313 Q HA -0.118 4.366 4.340 0.240 0.000 0.206 313 Q C 1.947 177.913 176.000 -0.057 0.000 0.976 313 Q CA 0.891 56.667 55.803 -0.045 0.000 0.875 313 Q CB 0.064 28.782 28.738 -0.034 0.000 0.927 313 Q HN 0.400 nan 8.270 nan 0.000 0.450 314 L N -1.067 120.084 121.223 -0.120 0.000 2.592 314 L HA 0.152 4.636 4.340 0.240 0.000 0.227 314 L C 1.053 177.851 176.870 -0.119 0.000 1.127 314 L CA 0.328 55.036 54.840 -0.221 0.000 0.884 314 L CB -0.124 41.631 42.059 -0.506 0.000 1.065 314 L HN 0.228 nan 8.230 nan 0.000 0.457 315 G N 0.985 109.751 108.800 -0.057 0.000 2.221 315 G HA2 -0.284 3.820 3.960 0.240 0.000 0.265 315 G HA3 -0.284 3.820 3.960 0.240 0.000 0.265 315 G C 0.459 175.351 174.900 -0.013 0.000 1.041 315 G CA 0.211 45.303 45.100 -0.012 0.000 0.807 315 G HN 0.374 nan 8.290 nan 0.000 0.502 316 L N -0.442 120.752 121.223 -0.048 0.000 2.818 316 L HA 0.214 4.698 4.340 0.240 0.000 0.243 316 L C 1.819 178.691 176.870 0.004 0.000 1.185 316 L CA 0.241 55.066 54.840 -0.025 0.000 0.988 316 L CB 0.164 42.181 42.059 -0.070 0.000 1.292 316 L HN 0.151 nan 8.230 nan 0.000 0.519 317 D N 1.217 121.613 120.400 -0.007 0.000 2.157 317 D HA -0.269 4.515 4.640 0.240 0.000 0.191 317 D C 1.802 178.120 176.300 0.030 0.000 1.004 317 D CA 1.960 55.957 54.000 -0.005 0.000 0.854 317 D CB -0.098 40.689 40.800 -0.022 0.000 0.936 317 D HN 0.543 nan 8.370 nan 0.000 0.446 318 D N -0.499 119.919 120.400 0.030 0.000 2.350 318 D HA 0.503 5.287 4.640 0.240 0.000 0.213 318 D C 1.782 178.112 176.300 0.050 0.000 1.031 318 D CA 0.639 54.662 54.000 0.039 0.000 0.861 318 D CB -0.287 40.530 40.800 0.027 0.000 0.926 318 D HN 0.340 nan 8.370 nan 0.000 0.520 319 A N -0.315 122.537 122.820 0.053 0.000 2.238 319 A HA 0.480 4.944 4.320 0.240 0.000 0.210 319 A C 1.171 178.796 177.584 0.068 0.000 1.179 319 A CA 0.300 52.371 52.037 0.057 0.000 0.827 319 A CB 0.222 19.255 19.000 0.055 0.000 0.856 319 A HN 0.585 nan 8.150 nan 0.000 0.488 320 V N 1.006 120.974 119.914 0.091 0.000 2.370 320 V HA 0.322 4.586 4.120 0.240 0.000 0.279 320 V C -1.059 175.112 176.094 0.129 0.000 1.029 320 V CA -0.737 61.632 62.300 0.114 0.000 0.870 320 V CB 1.345 33.261 31.823 0.154 0.000 0.984 320 V HN 0.296 nan 8.190 nan 0.000 0.451 321 D N 6.616 127.075 120.400 0.097 0.000 2.558 321 D HA 0.215 4.999 4.640 0.240 0.000 0.221 321 D C -1.088 175.284 176.300 0.120 0.000 1.143 321 D CA 0.253 54.303 54.000 0.082 0.000 1.010 321 D CB -0.266 40.567 40.800 0.055 0.000 1.068 321 D HN 0.391 nan 8.370 nan 0.000 0.511 322 F N 1.839 121.722 119.950 -0.111 0.000 2.604 322 F HA 0.190 4.857 4.527 0.234 0.000 0.316 322 F C -1.115 174.519 175.800 -0.277 0.000 1.136 322 F CA -1.146 56.687 58.000 -0.277 0.000 0.989 322 F CB 1.548 40.249 39.000 -0.499 0.000 1.258 322 F HN -0.133 nan 8.300 nan 0.000 0.451 323 D N 5.928 125.772 120.400 -0.927 0.000 2.393 323 D HA 0.150 4.934 4.640 0.240 0.000 0.232 323 D C -0.601 175.113 176.300 -0.976 0.000 1.192 323 D CA 0.072 53.670 54.000 -0.670 0.000 0.882 323 D CB 0.039 40.556 40.800 -0.471 0.000 1.038 323 D HN 0.282 nan 8.370 nan 0.000 0.499 324 F N 4.414 124.083 119.950 -0.467 0.000 2.504 324 F HA 0.220 4.889 4.527 0.238 0.000 0.369 324 F C -1.248 174.398 175.800 -0.256 0.000 1.082 324 F CA -1.298 56.525 58.000 -0.294 0.000 1.216 324 F CB 0.365 39.352 39.000 -0.021 0.000 1.108 324 F HN 0.231 nan 8.300 nan 0.000 0.554 325 P HA 0.086 nan 4.420 nan 0.000 0.272 325 P C -0.623 176.710 177.300 0.056 0.000 1.223 325 P CA -0.476 62.598 63.100 -0.042 0.000 0.784 325 P CB 0.524 32.223 31.700 -0.003 0.000 0.923 326 E N 0.776 120.987 120.200 0.018 0.000 2.436 326 E HA -0.014 4.480 4.350 0.240 0.000 0.262 326 E C 0.494 177.088 176.600 -0.009 0.000 1.063 326 E CA -0.125 56.276 56.400 0.003 0.000 0.944 326 E CB 0.340 30.028 29.700 -0.020 0.000 0.950 326 E HN 0.366 nan 8.360 nan 0.000 0.444 327 R N 2.847 123.321 120.500 -0.044 0.000 2.401 327 R HA 0.184 4.668 4.340 0.240 0.000 0.299 327 R C -2.431 173.736 176.300 -0.222 0.000 1.064 327 R CA -1.220 54.811 56.100 -0.116 0.000 1.000 327 R CB 0.042 30.278 30.300 -0.107 0.000 0.973 327 R HN 0.101 nan 8.270 nan 0.000 0.438 328 P HA 0.058 nan 4.420 nan 0.000 0.269 328 P C -0.383 176.581 177.300 -0.560 0.000 1.215 328 P CA -0.320 62.407 63.100 -0.621 0.000 0.780 328 P CB 0.707 31.557 31.700 -1.416 0.000 0.898 329 D N 0.923 121.121 120.400 -0.337 0.000 2.133 329 D HA -0.157 4.627 4.640 0.240 0.000 0.195 329 D C 1.477 177.714 176.300 -0.105 0.000 0.997 329 D CA 1.226 55.134 54.000 -0.153 0.000 0.840 329 D CB -0.365 40.420 40.800 -0.025 0.000 0.947 329 D HN 0.619 nan 8.370 nan 0.000 0.452 330 W N 1.223 122.526 121.300 0.006 0.000 2.961 330 W HA 0.126 4.953 4.660 0.278 0.000 0.240 330 W C 0.622 177.143 176.519 0.004 0.000 1.305 330 W CA 0.095 57.440 57.345 -0.000 0.000 1.465 330 W CB -1.039 28.416 29.460 -0.008 0.000 1.135 330 W HN -0.084 nan 8.180 nan 0.000 0.688 331 S N 0.000 115.595 115.700 -0.174 0.000 2.498 331 S HA 0.000 4.614 4.470 0.240 0.000 0.327 331 S CA 0.000 58.139 58.200 -0.102 0.000 1.107 331 S CB 0.000 62.954 63.200 -0.410 0.000 0.593 331 S HN 0.000 nan 8.310 nan 0.000 0.517