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 2zx8_1_B DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP TGELGKVPMD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE YHVNYPGDLP GYKWEFTRGI GLSFGYNRNE GPEHMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QKERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA V 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.106 176.300 -0.323 0.000 0.893 7 R CA 0.000 55.971 56.100 -0.214 0.000 0.921 7 R CB 0.000 30.255 30.300 -0.075 0.000 0.687 8 Y N 1.239 121.538 120.300 -0.001 0.000 2.334 8 Y HA 0.431 4.981 4.550 0.001 0.000 0.328 8 Y C 0.874 176.760 175.900 -0.023 0.000 1.130 8 Y CA -0.265 57.830 58.100 -0.009 0.000 1.163 8 Y CB 1.269 39.748 38.460 0.031 0.000 1.207 8 Y HN 0.099 nan 8.280 nan 0.000 0.471 9 K N 3.922 124.374 120.400 0.087 0.000 2.095 9 K HA 0.313 4.634 4.320 0.001 0.000 0.252 9 K C -2.435 174.120 176.600 -0.075 0.000 0.977 9 K CA -1.995 54.292 56.287 0.001 0.000 0.900 9 K CB 0.836 33.316 32.500 -0.033 0.000 1.060 9 K HN 0.324 nan 8.250 nan 0.000 0.449 10 P HA -0.002 nan 4.420 nan 0.000 0.225 10 P C -1.591 175.372 177.300 -0.561 0.000 1.768 10 P CA 0.104 62.952 63.100 -0.422 0.000 0.943 10 P CB -0.764 30.614 31.700 -0.536 0.000 1.936 11 D N -2.451 117.686 120.400 -0.439 0.000 2.753 11 D HA 0.182 4.822 4.640 0.001 0.000 0.224 11 D C 0.474 176.558 176.300 -0.359 0.000 1.213 11 D CA -0.934 52.764 54.000 -0.504 0.000 0.833 11 D CB 0.279 40.906 40.800 -0.288 0.000 1.607 11 D HN -0.087 nan 8.370 nan 0.000 0.463 12 W N 0.582 121.825 121.300 -0.096 0.000 2.325 12 W HA -0.108 4.552 4.660 0.000 0.000 0.299 12 W C 2.067 178.556 176.519 -0.051 0.000 1.215 12 W CA 0.862 58.168 57.345 -0.066 0.000 1.244 12 W CB -0.068 29.373 29.460 -0.032 0.000 1.140 12 W HN 0.636 nan 8.180 nan 0.000 0.523 13 E N 0.207 120.489 120.200 0.136 0.000 2.150 13 E HA -0.216 4.134 4.350 0.001 0.000 0.193 13 E C 2.302 178.930 176.600 0.046 0.000 0.985 13 E CA 1.465 57.913 56.400 0.080 0.000 0.814 13 E CB -0.175 29.554 29.700 0.049 0.000 0.752 13 E HN 0.142 nan 8.360 nan 0.000 0.466 14 S N -0.170 115.542 115.700 0.019 0.000 2.371 14 S HA -0.013 4.457 4.470 0.001 0.000 0.221 14 S C 1.978 176.625 174.600 0.078 0.000 1.036 14 S CA 0.347 58.569 58.200 0.036 0.000 0.965 14 S CB -0.189 63.018 63.200 0.011 0.000 0.845 14 S HN 0.310 nan 8.310 nan 0.000 0.475 15 L N 1.667 122.890 121.223 -0.000 0.000 2.261 15 L HA -0.043 4.297 4.340 0.001 0.000 0.216 15 L C 2.695 179.435 176.870 -0.218 0.000 1.114 15 L CA 1.451 56.199 54.840 -0.154 0.000 0.777 15 L CB -0.497 41.394 42.059 -0.280 0.000 0.910 15 L HN 0.406 nan 8.230 nan 0.000 0.440 16 R N 0.838 121.332 120.500 -0.010 0.000 2.152 16 R HA -0.198 4.143 4.340 0.001 0.000 0.232 16 R C 1.829 178.154 176.300 0.041 0.000 1.117 16 R CA 1.357 57.499 56.100 0.071 0.000 0.981 16 R CB -0.193 30.139 30.300 0.054 0.000 0.870 16 R HN 0.392 nan 8.270 nan 0.000 0.451 17 E N -0.089 120.149 120.200 0.064 0.000 2.267 17 E HA -0.189 4.161 4.350 0.001 0.000 0.197 17 E C 0.060 176.710 176.600 0.083 0.000 0.998 17 E CA 0.549 57.002 56.400 0.089 0.000 0.830 17 E CB -0.152 29.643 29.700 0.158 0.000 0.751 17 E HN 0.402 nan 8.360 nan 0.000 0.491 18 H N 1.067 120.069 119.070 -0.114 0.000 2.604 18 H HA 0.131 4.687 4.556 0.001 0.000 0.306 18 H C -0.438 174.750 175.328 -0.234 0.000 1.075 18 H CA 0.107 55.951 56.048 -0.340 0.000 1.357 18 H CB 0.631 29.696 29.762 -1.161 0.000 1.426 18 H HN -0.059 nan 8.280 nan 0.000 0.470 19 T N 1.151 115.323 114.554 -0.637 0.000 2.938 19 T HA 0.249 4.599 4.350 0.001 0.000 0.285 19 T C 0.214 174.622 174.700 -0.488 0.000 1.028 19 T CA -0.947 60.915 62.100 -0.397 0.000 1.005 19 T CB 1.529 70.264 68.868 -0.221 0.000 1.157 19 T HN 0.378 nan 8.240 nan 0.000 0.550 20 V N 3.731 123.514 119.914 -0.218 0.000 2.644 20 V HA 0.233 4.353 4.120 0.001 0.000 0.305 20 V C -1.888 174.062 176.094 -0.240 0.000 1.053 20 V CA -1.244 60.952 62.300 -0.173 0.000 1.186 20 V CB -0.028 31.783 31.823 -0.020 0.000 0.895 20 V HN 0.836 nan 8.190 nan 0.000 0.490 21 P HA 0.176 nan 4.420 nan 0.000 0.274 21 P C 0.306 177.461 177.300 -0.242 0.000 1.237 21 P CA -0.336 62.608 63.100 -0.259 0.000 0.793 21 P CB 0.765 32.330 31.700 -0.225 0.000 0.977 22 K N 1.055 121.406 120.400 -0.081 0.000 2.063 22 K HA -0.131 4.190 4.320 0.001 0.000 0.208 22 K C 2.081 178.699 176.600 0.030 0.000 1.048 22 K CA 1.944 58.228 56.287 -0.004 0.000 0.928 22 K CB -0.411 32.130 32.500 0.068 0.000 0.713 22 K HN 0.696 nan 8.250 nan 0.000 0.442 23 W N 0.564 121.917 121.300 0.088 0.000 2.338 23 W HA -0.241 4.419 4.660 0.001 0.000 0.304 23 W C 1.659 178.234 176.519 0.094 0.000 1.212 23 W CA 0.556 57.955 57.345 0.090 0.000 1.264 23 W CB -1.109 28.409 29.460 0.098 0.000 1.142 23 W HN -0.023 nan 8.180 nan 0.000 0.512 24 F N 2.608 121.905 119.950 -1.088 0.000 2.163 24 F HA -0.158 4.370 4.527 0.001 0.000 0.297 24 F C 2.474 178.001 175.800 -0.454 0.000 1.094 24 F CA 2.380 59.677 58.000 -1.172 0.000 1.290 24 F CB -0.777 37.248 39.000 -1.625 0.000 1.017 24 F HN -0.234 nan 8.300 nan 0.000 0.483 25 D N 0.453 120.759 120.400 -0.156 0.000 2.144 25 D HA -0.184 4.456 4.640 0.001 0.000 0.199 25 D C 1.858 178.111 176.300 -0.077 0.000 0.984 25 D CA 1.288 55.239 54.000 -0.081 0.000 0.834 25 D CB 0.003 40.805 40.800 0.004 0.000 0.955 25 D HN 0.363 nan 8.370 nan 0.000 0.465 26 K N -0.048 120.345 120.400 -0.010 0.000 2.305 26 K HA 0.130 4.450 4.320 0.001 0.000 0.199 26 K C 2.060 178.740 176.600 0.132 0.000 1.047 26 K CA 0.543 56.875 56.287 0.074 0.000 0.976 26 K CB 0.203 32.774 32.500 0.119 0.000 0.765 26 K HN -0.002 nan 8.250 nan 0.000 0.474 27 A N 1.836 124.720 122.820 0.108 0.000 1.933 27 A HA -0.214 4.106 4.320 0.001 0.000 0.218 27 A C 0.918 178.665 177.584 0.271 0.000 1.175 27 A CA 1.533 53.716 52.037 0.243 0.000 0.628 27 A CB -0.099 19.103 19.000 0.337 0.000 0.814 27 A HN 0.174 nan 8.150 nan 0.000 0.444 28 K N -3.384 117.048 120.400 0.054 0.000 3.686 28 K HA -0.260 4.060 4.320 0.001 0.000 0.314 28 K C 0.129 176.787 176.600 0.096 0.000 0.792 28 K CA 2.191 58.485 56.287 0.011 0.000 1.352 28 K CB -1.951 30.549 32.500 -0.000 0.000 1.444 28 K HN 0.772 nan 8.250 nan 0.000 0.456 29 F N -0.272 119.667 119.950 -0.017 0.000 2.573 29 F HA 0.543 5.070 4.527 0.001 0.000 0.316 29 F C 0.046 175.610 175.800 -0.392 0.000 1.148 29 F CA -0.232 57.682 58.000 -0.144 0.000 0.940 29 F CB 2.130 41.097 39.000 -0.055 0.000 1.214 29 F HN 0.043 nan 8.300 nan 0.000 0.448 30 G N 5.764 114.018 108.800 -0.910 0.000 2.642 30 G HA2 0.616 4.577 3.960 0.001 0.000 0.293 30 G HA3 0.616 4.577 3.960 0.001 0.000 0.293 30 G C -1.974 172.287 174.900 -1.065 0.000 1.341 30 G CA -0.818 43.332 45.100 -1.583 0.000 0.916 30 G HN 0.458 nan 8.290 nan 0.000 0.474 31 I N 1.020 121.059 120.570 -0.885 0.000 2.354 31 I HA 0.414 4.585 4.170 0.001 0.000 0.292 31 I C -0.896 175.006 176.117 -0.359 0.000 0.989 31 I CA -1.004 59.905 61.300 -0.652 0.000 1.188 31 I CB 1.304 38.716 38.000 -0.981 0.000 1.342 31 I HN 0.195 nan 8.210 nan 0.000 0.457 32 F N 6.964 126.713 119.950 -0.336 0.000 2.397 32 F HA 0.569 5.097 4.527 0.001 0.000 0.331 32 F C 0.121 175.823 175.800 -0.164 0.000 1.090 32 F CA -1.532 56.347 58.000 -0.202 0.000 1.065 32 F CB 1.244 40.176 39.000 -0.113 0.000 1.184 32 F HN 0.186 nan 8.300 nan 0.000 0.499 33 I N 4.965 125.608 120.570 0.121 0.000 2.493 33 I HA 0.132 4.302 4.170 0.001 0.000 0.279 33 I C -1.267 174.859 176.117 0.015 0.000 1.045 33 I CA -0.616 60.699 61.300 0.025 0.000 1.106 33 I CB 1.252 39.288 38.000 0.061 0.000 1.216 33 I HN 0.390 nan 8.210 nan 0.000 0.459 34 H N 4.995 123.989 119.070 -0.127 0.000 2.705 34 H HA 0.347 4.904 4.556 0.001 0.000 0.291 34 H C -1.355 174.128 175.328 0.258 0.000 1.085 34 H CA -0.080 55.928 56.048 -0.068 0.000 1.357 34 H CB 0.659 30.306 29.762 -0.192 0.000 1.419 34 H HN 0.510 nan 8.280 nan 0.000 0.462 35 W N 3.622 124.961 121.300 0.066 0.000 3.211 35 W HA 0.568 5.229 4.660 0.001 0.000 0.335 35 W C -0.672 175.633 176.519 -0.356 0.000 1.113 35 W CA -0.727 56.576 57.345 -0.069 0.000 1.235 35 W CB 1.462 31.010 29.460 0.146 0.000 1.365 35 W HN 0.708 nan 8.180 nan 0.000 0.476 36 G N 3.524 111.612 108.800 -1.188 0.000 2.561 36 G HA2 0.246 4.207 3.960 0.001 0.000 0.310 36 G HA3 0.246 4.207 3.960 0.001 0.000 0.310 36 G C 0.305 173.968 174.900 -2.062 0.000 1.292 36 G CA -0.173 44.030 45.100 -1.495 0.000 0.811 36 G HN 0.936 nan 8.290 nan 0.000 0.482 37 I N -1.144 118.470 120.570 -1.594 0.000 2.756 37 I HA -0.016 4.154 4.170 0.001 0.000 0.262 37 I C 2.112 177.672 176.117 -0.928 0.000 1.225 37 I CA 1.358 61.869 61.300 -1.315 0.000 1.472 37 I CB -0.440 36.965 38.000 -0.993 0.000 1.094 37 I HN 0.530 nan 8.210 nan 0.000 0.454 38 Y N 0.693 120.731 120.300 -0.435 0.000 2.439 38 Y HA 0.127 4.678 4.550 0.001 0.000 0.292 38 Y C 2.389 178.079 175.900 -0.350 0.000 1.130 38 Y CA 0.553 58.481 58.100 -0.288 0.000 1.254 38 Y CB -1.419 37.050 38.460 0.015 0.000 1.000 38 Y HN 0.055 nan 8.280 nan 0.000 0.554 39 S N 0.367 115.701 115.700 -0.609 0.000 2.469 39 S HA -0.131 4.339 4.470 0.001 0.000 0.238 39 S C 2.004 176.528 174.600 -0.126 0.000 0.998 39 S CA 1.178 59.269 58.200 -0.181 0.000 0.957 39 S CB -0.549 62.564 63.200 -0.145 0.000 0.764 39 S HN 0.395 nan 8.310 nan 0.000 0.514 40 V N 2.883 122.557 119.914 -0.400 0.000 2.255 40 V HA -0.079 4.042 4.120 0.001 0.000 0.243 40 V C -0.318 175.610 176.094 -0.278 0.000 1.038 40 V CA 1.492 63.626 62.300 -0.275 0.000 1.008 40 V CB -1.732 29.910 31.823 -0.301 0.000 0.645 40 V HN 0.365 nan 8.190 nan 0.000 0.449 41 P HA -0.031 nan 4.420 nan 0.000 0.223 41 P C 1.189 178.497 177.300 0.014 0.000 1.151 41 P CA 1.531 64.427 63.100 -0.340 0.000 0.787 41 P CB -0.295 30.857 31.700 -0.913 0.000 0.788 42 G N 0.261 109.032 108.800 -0.048 0.000 2.357 42 G HA2 -0.213 3.748 3.960 0.001 0.000 0.282 42 G HA3 -0.213 3.748 3.960 0.001 0.000 0.282 42 G C -0.742 174.124 174.900 -0.055 0.000 0.910 42 G CA 0.215 45.303 45.100 -0.021 0.000 1.267 42 G HN 0.447 nan 8.290 nan 0.000 0.476 43 W N 0.374 121.630 121.300 -0.072 0.000 3.129 43 W HA 0.672 5.333 4.660 0.001 0.000 0.333 43 W C -0.402 176.085 176.519 -0.052 0.000 1.141 43 W CA -0.084 57.178 57.345 -0.138 0.000 1.224 43 W CB 1.607 30.900 29.460 -0.280 0.000 1.393 43 W HN 0.871 nan 8.180 nan 0.000 0.499 44 A N 2.190 124.508 122.820 -0.837 0.000 2.612 44 A HA 0.649 4.970 4.320 0.001 0.000 0.293 44 A C -0.599 176.238 177.584 -1.245 0.000 1.075 44 A CA -0.646 50.889 52.037 -0.836 0.000 0.680 44 A CB 1.089 19.868 19.000 -0.369 0.000 1.279 44 A HN 0.661 nan 8.150 nan 0.000 0.411 45 T N 1.022 115.007 114.554 -0.948 0.000 2.737 45 T HA 0.543 4.893 4.350 0.001 0.000 0.296 45 T C -2.396 171.970 174.700 -0.556 0.000 0.922 45 T CA -1.529 60.150 62.100 -0.702 0.000 1.079 45 T CB 0.679 69.296 68.868 -0.419 0.000 0.892 45 T HN 0.373 nan 8.240 nan 0.000 0.514 46 P HA 0.162 nan 4.420 nan 0.000 0.244 46 P C 0.683 177.750 177.300 -0.388 0.000 1.769 46 P CA -0.326 62.447 63.100 -0.545 0.000 1.102 46 P CB 0.051 31.214 31.700 -0.895 0.000 1.937 47 T N 0.186 114.529 114.554 -0.351 0.000 2.821 47 T HA 0.167 4.517 4.350 0.001 0.000 0.267 47 T C 1.100 175.708 174.700 -0.155 0.000 1.046 47 T CA 1.454 63.404 62.100 -0.250 0.000 1.139 47 T CB -0.180 68.505 68.868 -0.305 0.000 0.871 47 T HN 0.565 nan 8.240 nan 0.000 0.454 48 G N 0.134 108.840 108.800 -0.157 0.000 2.343 48 G HA2 0.340 4.301 3.960 0.001 0.000 0.289 48 G HA3 0.340 4.301 3.960 0.001 0.000 0.289 48 G C -2.139 172.739 174.900 -0.037 0.000 1.295 48 G CA -1.061 44.010 45.100 -0.047 0.000 0.869 48 G HN 0.211 nan 8.290 nan 0.000 0.522 49 E N -0.267 119.954 120.200 0.034 0.000 2.283 49 E HA 0.443 4.793 4.350 0.001 0.000 0.278 49 E C -0.023 176.617 176.600 0.068 0.000 1.027 49 E CA -0.736 55.650 56.400 -0.023 0.000 0.843 49 E CB 2.217 32.043 29.700 0.210 0.000 1.062 49 E HN 0.490 nan 8.360 nan 0.000 0.401 50 L N 2.589 123.733 121.223 -0.132 0.000 2.601 50 L HA 0.113 4.454 4.340 0.001 0.000 0.277 50 L C 1.118 178.009 176.870 0.036 0.000 1.219 50 L CA 1.933 56.626 54.840 -0.244 0.000 0.915 50 L CB -0.187 41.717 42.059 -0.258 0.000 1.160 50 L HN 0.834 nan 8.230 nan 0.000 0.494 51 G N 3.213 111.954 108.800 -0.099 0.000 2.238 51 G HA2 -0.230 3.731 3.960 0.001 0.000 0.217 51 G HA3 -0.230 3.731 3.960 0.001 0.000 0.217 51 G C 1.038 175.911 174.900 -0.044 0.000 0.996 51 G CA 0.287 45.388 45.100 0.002 0.000 0.632 51 G HN 0.584 nan 8.290 nan 0.000 0.503 52 K N -0.180 120.218 120.400 -0.003 0.000 2.370 52 K HA 0.370 4.691 4.320 0.001 0.000 0.194 52 K C 0.713 177.314 176.600 0.001 0.000 1.070 52 K CA 0.392 56.654 56.287 -0.041 0.000 0.998 52 K CB 1.416 33.906 32.500 -0.015 0.000 0.911 52 K HN 0.298 nan 8.250 nan 0.000 0.533 53 V N 5.512 125.455 119.914 0.048 0.000 2.432 53 V HA 0.141 4.261 4.120 0.001 0.000 0.275 53 V C -2.208 173.922 176.094 0.061 0.000 1.043 53 V CA -1.842 60.513 62.300 0.092 0.000 0.925 53 V CB 0.993 32.967 31.823 0.252 0.000 0.985 53 V HN 0.116 nan 8.190 nan 0.000 0.466 54 P HA 0.056 nan 4.420 nan 0.000 0.263 54 P C 0.699 178.049 177.300 0.083 0.000 1.195 54 P CA -0.155 62.973 63.100 0.048 0.000 0.762 54 P CB 0.600 32.331 31.700 0.052 0.000 0.799 55 M N 1.569 121.196 119.600 0.045 0.000 2.530 55 M HA -0.098 4.383 4.480 0.001 0.000 0.261 55 M C 0.793 177.230 176.300 0.227 0.000 1.067 55 M CA 1.283 56.620 55.300 0.062 0.000 1.071 55 M CB -1.173 31.428 32.600 0.003 0.000 1.405 55 M HN 0.320 nan 8.290 nan 0.000 0.478 56 D N -0.329 120.223 120.400 0.253 0.000 2.355 56 D HA 0.119 4.760 4.640 0.001 0.000 0.218 56 D C 1.613 178.150 176.300 0.396 0.000 1.004 56 D CA 0.706 54.948 54.000 0.402 0.000 0.880 56 D CB 0.408 41.388 40.800 0.301 0.000 0.911 56 D HN 0.361 nan 8.370 nan 0.000 0.528 57 A N -0.263 122.725 122.820 0.280 0.000 2.138 57 A HA 0.023 4.344 4.320 0.001 0.000 0.203 57 A C 1.836 179.534 177.584 0.190 0.000 1.286 57 A CA -0.330 51.866 52.037 0.266 0.000 0.929 57 A CB -0.697 18.370 19.000 0.112 0.000 0.975 57 A HN 0.257 nan 8.150 nan 0.000 0.480 58 W N 1.010 122.222 121.300 -0.147 0.000 2.277 58 W HA -0.316 4.344 4.660 0.001 0.000 0.327 58 W C 1.195 177.363 176.519 -0.585 0.000 1.284 58 W CA 2.336 59.416 57.345 -0.442 0.000 1.277 58 W CB -0.742 28.314 29.460 -0.673 0.000 1.141 58 W HN 0.370 nan 8.180 nan 0.000 0.482 59 F N -0.905 118.945 119.950 -0.167 0.000 2.502 59 F HA -0.075 4.452 4.527 0.001 0.000 0.298 59 F C 1.962 177.442 175.800 -0.534 0.000 1.111 59 F CA 0.935 58.682 58.000 -0.422 0.000 1.445 59 F CB -0.997 37.734 39.000 -0.449 0.000 1.081 59 F HN -0.247 nan 8.300 nan 0.000 0.558 60 F N -0.501 119.396 119.950 -0.089 0.000 2.664 60 F HA 0.078 4.605 4.527 0.001 0.000 0.296 60 F C 0.718 176.443 175.800 -0.124 0.000 1.125 60 F CA 0.522 58.472 58.000 -0.084 0.000 1.444 60 F CB -0.037 38.919 39.000 -0.073 0.000 1.114 60 F HN -0.100 nan 8.300 nan 0.000 0.576 61 Q N 0.107 119.838 119.800 -0.115 0.000 3.007 61 Q HA 0.112 4.452 4.340 0.001 0.000 0.321 61 Q C -0.789 174.912 176.000 -0.497 0.000 0.784 61 Q CA -0.353 55.325 55.803 -0.209 0.000 0.990 61 Q CB 0.396 29.042 28.738 -0.154 0.000 1.493 61 Q HN -0.045 nan 8.270 nan 0.000 0.382 62 N N 2.904 121.267 118.700 -0.562 0.000 2.452 62 N HA 0.048 4.789 4.740 0.001 0.000 0.266 62 N C -1.564 173.509 175.510 -0.727 0.000 1.209 62 N CA -1.204 51.298 53.050 -0.914 0.000 0.929 62 N CB 1.046 39.172 38.487 -0.602 0.000 1.063 62 N HN 0.225 nan 8.380 nan 0.000 0.472 63 P HA -0.026 nan 4.420 nan 0.000 0.241 63 P C -0.390 176.821 177.300 -0.150 0.000 1.191 63 P CA 0.492 63.275 63.100 -0.528 0.000 0.771 63 P CB 0.134 31.512 31.700 -0.537 0.000 0.929 64 Y N 1.001 121.109 120.300 -0.320 0.000 2.585 64 Y HA 0.338 4.888 4.550 0.001 0.000 0.354 64 Y C 1.932 177.865 175.900 0.056 0.000 1.024 64 Y CA -1.537 56.547 58.100 -0.025 0.000 1.321 64 Y CB -0.287 38.250 38.460 0.129 0.000 1.151 64 Y HN -0.024 nan 8.280 nan 0.000 0.525 65 A N 3.069 125.967 122.820 0.131 0.000 2.019 65 A HA -0.159 4.161 4.320 0.001 0.000 0.219 65 A C 1.988 179.691 177.584 0.197 0.000 1.164 65 A CA 1.423 53.549 52.037 0.148 0.000 0.644 65 A CB -0.284 18.753 19.000 0.060 0.000 0.805 65 A HN 0.701 nan 8.150 nan 0.000 0.449 66 E N -1.396 118.801 120.200 -0.007 0.000 2.515 66 E HA -0.190 4.161 4.350 0.001 0.000 0.201 66 E C 0.616 177.159 176.600 -0.096 0.000 1.071 66 E CA 0.470 56.513 56.400 -0.596 0.000 0.880 66 E CB -0.416 28.465 29.700 -1.364 0.000 0.828 66 E HN 0.796 nan 8.360 nan 0.000 0.540 67 W N 0.301 121.690 121.300 0.148 0.000 3.330 67 W HA 0.239 4.899 4.660 0.001 0.000 0.348 67 W C 1.441 178.113 176.519 0.254 0.000 1.205 67 W CA -0.882 56.690 57.345 0.378 0.000 1.841 67 W CB -0.518 29.178 29.460 0.393 0.000 1.084 67 W HN 0.103 nan 8.180 nan 0.000 0.665 68 Y N 1.471 121.932 120.300 0.269 0.000 2.062 68 Y HA -0.409 4.142 4.550 0.001 0.000 0.276 68 Y C 2.543 178.461 175.900 0.031 0.000 1.189 68 Y CA 2.697 60.926 58.100 0.214 0.000 1.130 68 Y CB -0.236 38.406 38.460 0.303 0.000 0.959 68 Y HN 0.076 nan 8.280 nan 0.000 0.499 69 E N -0.228 119.990 120.200 0.030 0.000 2.085 69 E HA -0.320 4.030 4.350 0.001 0.000 0.194 69 E C 2.009 178.338 176.600 -0.452 0.000 0.994 69 E CA 1.540 57.676 56.400 -0.439 0.000 0.801 69 E CB -0.367 28.750 29.700 -0.972 0.000 0.743 69 E HN 0.574 nan 8.360 nan 0.000 0.453 70 N N -0.260 118.039 118.700 -0.668 0.000 2.084 70 N HA -0.128 4.613 4.740 0.001 0.000 0.190 70 N C 1.777 177.131 175.510 -0.259 0.000 1.030 70 N CA 1.921 54.545 53.050 -0.711 0.000 0.849 70 N CB -0.069 37.970 38.487 -0.745 0.000 1.012 70 N HN -0.019 nan 8.380 nan 0.000 0.423 71 S N 0.091 115.740 115.700 -0.085 0.000 2.370 71 S HA -0.120 4.350 4.470 0.001 0.000 0.226 71 S C 1.726 176.286 174.600 -0.067 0.000 1.033 71 S CA 0.861 59.031 58.200 -0.050 0.000 1.011 71 S CB -0.485 62.710 63.200 -0.009 0.000 0.852 71 S HN 0.357 nan 8.310 nan 0.000 0.457 72 L N 2.093 123.238 121.223 -0.130 0.000 2.083 72 L HA -0.008 4.333 4.340 0.001 0.000 0.209 72 L C 2.070 178.978 176.870 0.063 0.000 1.083 72 L CA 1.661 56.471 54.840 -0.050 0.000 0.752 72 L CB -0.457 41.533 42.059 -0.114 0.000 0.899 72 L HN 0.119 nan 8.230 nan 0.000 0.433 73 R N -0.655 119.804 120.500 -0.068 0.000 2.237 73 R HA 0.065 4.406 4.340 0.001 0.000 0.219 73 R C 0.296 176.554 176.300 -0.070 0.000 1.080 73 R CA 0.414 56.471 56.100 -0.071 0.000 0.995 73 R CB -0.302 29.886 30.300 -0.187 0.000 0.875 73 R HN 0.333 nan 8.270 nan 0.000 0.462 74 I N 2.139 122.669 120.570 -0.067 0.000 2.281 74 I HA 0.073 4.244 4.170 0.001 0.000 0.293 74 I C 0.078 176.141 176.117 -0.090 0.000 1.085 74 I CA -0.342 60.916 61.300 -0.070 0.000 1.257 74 I CB 0.862 38.823 38.000 -0.066 0.000 1.430 74 I HN -0.102 nan 8.210 nan 0.000 0.489 75 K N 5.735 125.971 120.400 -0.273 0.000 2.527 75 K HA -0.009 4.312 4.320 0.001 0.000 0.278 75 K C 0.151 176.446 176.600 -0.508 0.000 0.981 75 K CA 0.426 56.265 56.287 -0.746 0.000 1.009 75 K CB 0.220 32.253 32.500 -0.777 0.000 0.895 75 K HN 0.522 nan 8.250 nan 0.000 0.493 76 E N 0.252 120.072 120.200 -0.633 0.000 2.240 76 E HA -0.217 4.134 4.350 0.001 0.000 0.194 76 E C -0.950 175.685 176.600 0.058 0.000 1.385 76 E CA 0.539 56.870 56.400 -0.114 0.000 0.686 76 E CB -1.267 28.320 29.700 -0.189 0.000 1.125 76 E HN 0.598 nan 8.360 nan 0.000 0.359 77 S N -1.260 114.554 115.700 0.189 0.000 2.599 77 S HA 0.621 5.091 4.470 0.001 0.000 0.294 77 S C -2.178 172.567 174.600 0.243 0.000 1.094 77 S CA -1.768 56.552 58.200 0.199 0.000 0.931 77 S CB 2.480 65.785 63.200 0.175 0.000 1.093 77 S HN -0.217 nan 8.310 nan 0.000 0.488 78 P HA -0.087 nan 4.420 nan 0.000 0.216 78 P C 1.359 178.831 177.300 0.286 0.000 1.150 78 P CA 1.618 64.902 63.100 0.306 0.000 0.843 78 P CB -0.255 31.670 31.700 0.376 0.000 0.787 79 T N -2.099 112.633 114.554 0.296 0.000 2.746 79 T HA -0.194 4.156 4.350 0.001 0.000 0.267 79 T C 1.397 176.135 174.700 0.064 0.000 1.039 79 T CA 1.222 63.390 62.100 0.113 0.000 1.142 79 T CB -0.981 67.885 68.868 -0.003 0.000 0.866 79 T HN 0.212 nan 8.240 nan 0.000 0.444 80 W N 2.238 123.531 121.300 -0.013 0.000 2.335 80 W HA -0.129 4.532 4.660 0.001 0.000 0.311 80 W C 2.250 178.799 176.519 0.051 0.000 1.213 80 W CA 1.281 58.640 57.345 0.024 0.000 1.274 80 W CB -0.124 29.348 29.460 0.021 0.000 1.148 80 W HN 0.242 nan 8.180 nan 0.000 0.498 81 E N -0.923 119.438 120.200 0.268 0.000 2.051 81 E HA -0.311 4.039 4.350 0.001 0.000 0.192 81 E C 1.919 178.439 176.600 -0.134 0.000 0.991 81 E CA 1.797 58.238 56.400 0.067 0.000 0.799 81 E CB -1.186 28.623 29.700 0.181 0.000 0.748 81 E HN 0.449 nan 8.360 nan 0.000 0.449 82 Y N 1.338 121.449 120.300 -0.315 0.000 2.114 82 Y HA -0.316 4.235 4.550 0.001 0.000 0.282 82 Y C 2.457 178.139 175.900 -0.364 0.000 1.165 82 Y CA 2.370 60.151 58.100 -0.533 0.000 1.148 82 Y CB -0.555 37.175 38.460 -1.217 0.000 0.972 82 Y HN 0.157 nan 8.280 nan 0.000 0.504 83 H N -0.810 118.105 119.070 -0.258 0.000 2.321 83 H HA -0.150 4.407 4.556 0.001 0.000 0.300 83 H C 2.228 177.365 175.328 -0.318 0.000 1.087 83 H CA 2.515 58.487 56.048 -0.126 0.000 1.319 83 H CB -0.547 29.240 29.762 0.043 0.000 1.379 83 H HN 0.219 nan 8.280 nan 0.000 0.501 84 V N 0.616 120.258 119.914 -0.453 0.000 2.392 84 V HA -0.250 3.870 4.120 0.001 0.000 0.249 84 V C 2.196 178.020 176.094 -0.449 0.000 1.059 84 V CA 2.253 64.232 62.300 -0.535 0.000 1.051 84 V CB -0.353 30.965 31.823 -0.841 0.000 0.658 84 V HN 0.426 nan 8.190 nan 0.000 0.455 85 K N -0.871 119.251 120.400 -0.463 0.000 2.186 85 K HA -0.047 4.274 4.320 0.001 0.000 0.202 85 K C 2.124 178.404 176.600 -0.534 0.000 1.052 85 K CA 1.500 57.537 56.287 -0.416 0.000 0.965 85 K CB -0.122 32.167 32.500 -0.351 0.000 0.746 85 K HN 0.461 nan 8.250 nan 0.000 0.457 86 T N -0.666 113.410 114.554 -0.796 0.000 2.939 86 T HA 0.003 4.354 4.350 0.001 0.000 0.254 86 T C 1.159 175.193 174.700 -1.110 0.000 1.041 86 T CA 0.933 62.412 62.100 -1.034 0.000 1.142 86 T CB -0.034 67.911 68.868 -1.540 0.000 0.874 86 T HN 0.190 nan 8.240 nan 0.000 0.452 87 Y N 0.659 120.523 120.300 -0.726 0.000 2.535 87 Y HA 0.478 5.029 4.550 0.001 0.000 0.264 87 Y C 1.437 177.019 175.900 -0.530 0.000 1.087 87 Y CA 0.070 57.667 58.100 -0.839 0.000 1.285 87 Y CB 0.716 38.245 38.460 -1.551 0.000 1.200 87 Y HN 0.365 nan 8.280 nan 0.000 0.514 88 G N 0.863 109.450 108.800 -0.355 0.000 2.619 88 G HA2 -0.192 3.769 3.960 0.001 0.000 0.686 88 G HA3 -0.192 3.769 3.960 0.001 0.000 0.686 88 G C -0.024 174.831 174.900 -0.075 0.000 1.256 88 G CA -0.300 44.694 45.100 -0.176 0.000 0.826 88 G HN 0.206 nan 8.290 nan 0.000 0.619 89 E N -0.314 119.862 120.200 -0.041 0.000 2.274 89 E HA -0.079 4.271 4.350 0.001 0.000 0.194 89 E C 1.664 178.333 176.600 0.116 0.000 0.996 89 E CA 0.713 57.136 56.400 0.038 0.000 0.840 89 E CB 0.103 29.825 29.700 0.036 0.000 0.772 89 E HN 0.331 nan 8.360 nan 0.000 0.491 90 N N -0.001 118.760 118.700 0.101 0.000 2.389 90 N HA -0.010 4.731 4.740 0.001 0.000 0.237 90 N C -1.403 174.180 175.510 0.121 0.000 1.148 90 N CA -0.002 53.101 53.050 0.087 0.000 0.854 90 N CB -0.248 38.266 38.487 0.045 0.000 1.115 90 N HN -0.017 nan 8.380 nan 0.000 0.492 91 F N 0.863 120.826 119.950 0.022 0.000 2.676 91 F HA 0.334 4.862 4.527 0.001 0.000 0.371 91 F C -0.523 175.319 175.800 0.071 0.000 1.141 91 F CA -1.053 56.943 58.000 -0.007 0.000 1.133 91 F CB 0.596 39.556 39.000 -0.066 0.000 1.376 91 F HN -0.083 nan 8.300 nan 0.000 0.491 92 E N 3.476 123.681 120.200 0.009 0.000 2.398 92 E HA -0.030 4.320 4.350 0.001 0.000 0.263 92 E C 0.483 177.127 176.600 0.075 0.000 1.046 92 E CA -0.078 56.363 56.400 0.068 0.000 0.908 92 E CB 0.390 30.078 29.700 -0.020 0.000 0.963 92 E HN 0.685 nan 8.360 nan 0.000 0.431 93 Y N 2.224 122.584 120.300 0.101 0.000 2.151 93 Y HA -0.319 4.231 4.550 0.001 0.000 0.284 93 Y C 1.450 177.474 175.900 0.207 0.000 1.166 93 Y CA 2.274 60.514 58.100 0.233 0.000 1.163 93 Y CB 0.021 38.653 38.460 0.286 0.000 0.974 93 Y HN 0.595 nan 8.280 nan 0.000 0.511 94 E N 0.453 120.725 120.200 0.120 0.000 2.130 94 E HA -0.252 4.099 4.350 0.001 0.000 0.196 94 E C 2.115 178.687 176.600 -0.046 0.000 0.998 94 E CA 1.604 58.072 56.400 0.112 0.000 0.806 94 E CB -0.312 29.418 29.700 0.049 0.000 0.738 94 E HN 0.459 nan 8.360 nan 0.000 0.459 95 K N -0.078 120.161 120.400 -0.268 0.000 2.160 95 K HA -0.179 4.142 4.320 0.001 0.000 0.206 95 K C 1.511 177.921 176.600 -0.317 0.000 1.047 95 K CA 1.228 57.244 56.287 -0.451 0.000 0.930 95 K CB -0.267 31.594 32.500 -1.066 0.000 0.720 95 K HN 0.173 nan 8.250 nan 0.000 0.450 96 F N 0.356 120.182 119.950 -0.208 0.000 2.408 96 F HA -0.150 4.378 4.527 0.001 0.000 0.300 96 F C 2.255 177.868 175.800 -0.313 0.000 1.090 96 F CA 0.421 58.273 58.000 -0.246 0.000 1.427 96 F CB -0.107 38.618 39.000 -0.457 0.000 1.070 96 F HN 0.145 nan 8.300 nan 0.000 0.549 97 A N -0.301 122.419 122.820 -0.168 0.000 2.015 97 A HA -0.166 4.154 4.320 0.001 0.000 0.219 97 A C 1.845 179.365 177.584 -0.107 0.000 1.163 97 A CA 1.771 53.618 52.037 -0.316 0.000 0.646 97 A CB -0.444 18.411 19.000 -0.242 0.000 0.806 97 A HN 0.247 nan 8.150 nan 0.000 0.448 98 D N -0.303 120.070 120.400 -0.045 0.000 2.305 98 D HA 0.041 4.682 4.640 0.001 0.000 0.206 98 D C 1.679 177.985 176.300 0.011 0.000 0.974 98 D CA 0.566 54.554 54.000 -0.019 0.000 0.871 98 D CB -0.001 40.778 40.800 -0.036 0.000 0.947 98 D HN 0.447 nan 8.370 nan 0.000 0.516 99 L N 0.034 121.291 121.223 0.057 0.000 2.509 99 L HA 0.052 4.392 4.340 0.001 0.000 0.222 99 L C 0.747 177.700 176.870 0.138 0.000 1.123 99 L CA -0.085 54.828 54.840 0.121 0.000 0.856 99 L CB -0.071 42.128 42.059 0.233 0.000 0.985 99 L HN -0.094 nan 8.230 nan 0.000 0.456 100 F N 2.275 122.139 119.950 -0.143 0.000 2.619 100 F HA 0.094 4.622 4.527 0.001 0.000 0.350 100 F C 1.364 177.055 175.800 -0.181 0.000 1.259 100 F CA -0.732 57.129 58.000 -0.232 0.000 1.204 100 F CB -0.131 38.595 39.000 -0.457 0.000 1.556 100 F HN -0.073 nan 8.300 nan 0.000 0.650 101 T N 1.561 116.050 114.554 -0.109 0.000 3.040 101 T HA 0.355 4.705 4.350 0.001 0.000 0.250 101 T C 1.310 175.883 174.700 -0.213 0.000 1.058 101 T CA 0.269 62.252 62.100 -0.195 0.000 0.988 101 T CB -0.255 68.579 68.868 -0.056 0.000 0.993 101 T HN 1.039 nan 8.240 nan 0.000 0.519 102 A N 1.648 124.363 122.820 -0.175 0.000 2.748 102 A HA -0.279 4.042 4.320 0.001 0.000 0.297 102 A C 1.364 179.008 177.584 0.099 0.000 1.508 102 A CA 1.536 53.571 52.037 -0.003 0.000 0.799 102 A CB -2.491 16.349 19.000 -0.266 0.000 1.011 102 A HN 0.721 nan 8.150 nan 0.000 0.500 103 E N 0.098 120.347 120.200 0.080 0.000 2.171 103 E HA -0.179 4.171 4.350 0.001 0.000 0.197 103 E C 1.410 178.071 176.600 0.101 0.000 0.997 103 E CA 2.219 58.664 56.400 0.076 0.000 0.810 103 E CB -0.128 29.612 29.700 0.067 0.000 0.738 103 E HN 0.770 nan 8.360 nan 0.000 0.467 104 K N -1.057 119.429 120.400 0.143 0.000 2.455 104 K HA 0.094 4.414 4.320 0.001 0.000 0.206 104 K C -0.863 175.831 176.600 0.156 0.000 1.027 104 K CA -0.539 55.823 56.287 0.124 0.000 1.113 104 K CB 0.153 32.719 32.500 0.109 0.000 0.850 104 K HN 0.119 nan 8.250 nan 0.000 0.503 105 W N 2.446 123.715 121.300 -0.052 0.000 2.253 105 W HA 0.049 4.709 4.660 0.001 0.000 0.322 105 W C -0.357 176.014 176.519 -0.247 0.000 1.342 105 W CA 0.063 57.292 57.345 -0.194 0.000 1.218 105 W CB 0.572 29.940 29.460 -0.153 0.000 1.205 105 W HN 0.001 nan 8.180 nan 0.000 0.551 106 D N 8.264 128.153 120.400 -0.851 0.000 2.330 106 D HA 0.225 4.865 4.640 0.001 0.000 0.249 106 D C -1.489 174.105 176.300 -1.178 0.000 1.306 106 D CA -2.070 51.445 54.000 -0.809 0.000 0.956 106 D CB 1.725 42.294 40.800 -0.385 0.000 1.261 106 D HN 0.085 nan 8.370 nan 0.000 0.544 107 P HA -0.214 nan 4.420 nan 0.000 0.216 107 P C 1.176 178.172 177.300 -0.506 0.000 1.150 107 P CA 1.196 63.591 63.100 -1.175 0.000 0.843 107 P CB 0.541 31.571 31.700 -1.116 0.000 0.787 108 Q N -0.089 119.465 119.800 -0.411 0.000 2.119 108 Q HA -0.149 4.191 4.340 0.001 0.000 0.201 108 Q C 2.293 178.173 176.000 -0.200 0.000 0.972 108 Q CA 1.189 56.852 55.803 -0.234 0.000 0.847 108 Q CB -0.343 28.282 28.738 -0.189 0.000 0.903 108 Q HN 0.450 nan 8.270 nan 0.000 0.433 109 E N -0.260 119.802 120.200 -0.230 0.000 2.077 109 E HA -0.194 4.156 4.350 0.001 0.000 0.193 109 E C 1.617 178.138 176.600 -0.132 0.000 0.989 109 E CA 0.861 57.171 56.400 -0.150 0.000 0.800 109 E CB -0.058 29.573 29.700 -0.115 0.000 0.746 109 E HN 0.416 nan 8.360 nan 0.000 0.452 110 W N 0.812 121.832 121.300 -0.467 0.000 2.355 110 W HA -0.094 4.566 4.660 0.001 0.000 0.309 110 W C 2.558 178.442 176.519 -1.058 0.000 1.206 110 W CA 1.096 57.970 57.345 -0.784 0.000 1.284 110 W CB -1.072 28.103 29.460 -0.475 0.000 1.145 110 W HN 0.082 nan 8.180 nan 0.000 0.502 111 A N -0.234 122.441 122.820 -0.243 0.000 1.902 111 A HA -0.254 4.067 4.320 0.001 0.000 0.217 111 A C 1.774 179.294 177.584 -0.107 0.000 1.181 111 A CA 2.263 54.249 52.037 -0.086 0.000 0.623 111 A CB -1.090 17.918 19.000 0.014 0.000 0.818 111 A HN 0.296 nan 8.150 nan 0.000 0.443 112 D N -0.573 119.747 120.400 -0.134 0.000 2.097 112 D HA -0.170 4.470 4.640 0.001 0.000 0.195 112 D C 1.799 178.043 176.300 -0.093 0.000 0.989 112 D CA 1.466 55.413 54.000 -0.087 0.000 0.827 112 D CB -0.212 40.537 40.800 -0.084 0.000 0.966 112 D HN 0.245 nan 8.370 nan 0.000 0.456 113 L N -0.272 120.833 121.223 -0.197 0.000 2.012 113 L HA -0.113 4.228 4.340 0.001 0.000 0.210 113 L C 2.051 178.910 176.870 -0.018 0.000 1.073 113 L CA 1.755 56.492 54.840 -0.172 0.000 0.748 113 L CB -0.945 40.926 42.059 -0.313 0.000 0.891 113 L HN 0.202 nan 8.230 nan 0.000 0.431 114 F N -0.457 119.489 119.950 -0.006 0.000 2.186 114 F HA -0.154 4.373 4.527 0.001 0.000 0.299 114 F C 2.570 178.359 175.800 -0.020 0.000 1.090 114 F CA 0.948 58.924 58.000 -0.041 0.000 1.307 114 F CB -0.363 38.603 39.000 -0.056 0.000 1.019 114 F HN 0.096 nan 8.300 nan 0.000 0.489 115 K N 1.375 121.876 120.400 0.169 0.000 2.025 115 K HA -0.176 4.144 4.320 0.001 0.000 0.207 115 K C 1.935 178.599 176.600 0.107 0.000 1.049 115 K CA 1.341 57.693 56.287 0.107 0.000 0.933 115 K CB -0.060 32.477 32.500 0.062 0.000 0.714 115 K HN 0.123 nan 8.250 nan 0.000 0.438 116 K N -0.027 120.426 120.400 0.088 0.000 2.103 116 K HA -0.110 4.211 4.320 0.001 0.000 0.207 116 K C 1.952 178.640 176.600 0.147 0.000 1.048 116 K CA 1.232 57.573 56.287 0.091 0.000 0.930 116 K CB -0.112 32.421 32.500 0.056 0.000 0.716 116 K HN 0.210 nan 8.250 nan 0.000 0.444 117 A N 0.103 123.038 122.820 0.191 0.000 2.172 117 A HA 0.028 4.348 4.320 0.001 0.000 0.216 117 A C 1.583 179.425 177.584 0.430 0.000 1.154 117 A CA 1.416 53.620 52.037 0.279 0.000 0.701 117 A CB -0.442 18.742 19.000 0.307 0.000 0.789 117 A HN 0.478 nan 8.150 nan 0.000 0.465 118 G N -2.563 106.457 108.800 0.368 0.000 2.179 118 G HA2 0.131 4.091 3.960 0.001 0.000 0.220 118 G HA3 0.131 4.091 3.960 0.001 0.000 0.220 118 G C 0.452 175.654 174.900 0.505 0.000 0.990 118 G CA 0.255 45.651 45.100 0.493 0.000 0.646 118 G HN 1.585 nan 8.290 nan 0.000 0.517 119 A N -0.019 122.846 122.820 0.075 0.000 2.445 119 A HA 0.631 4.951 4.320 0.001 0.000 0.242 119 A C 1.245 178.762 177.584 -0.112 0.000 1.075 119 A CA 0.865 52.630 52.037 -0.453 0.000 0.777 119 A CB 0.410 18.927 19.000 -0.805 0.000 1.013 119 A HN 0.168 nan 8.150 nan 0.000 0.493 120 K N 0.122 120.471 120.400 -0.085 0.000 2.373 120 K HA 0.180 4.500 4.320 0.001 0.000 0.200 120 K C -0.772 175.957 176.600 0.216 0.000 1.054 120 K CA 0.534 56.884 56.287 0.105 0.000 1.065 120 K CB 0.190 32.825 32.500 0.225 0.000 0.886 120 K HN 0.806 nan 8.250 nan 0.000 0.546 121 Y N -3.119 117.180 120.300 -0.002 0.000 2.609 121 Y HA 0.680 5.231 4.550 0.001 0.000 0.336 121 Y C -0.879 175.004 175.900 -0.030 0.000 1.129 121 Y CA -1.521 56.609 58.100 0.050 0.000 1.040 121 Y CB 1.235 39.820 38.460 0.210 0.000 1.310 121 Y HN -0.318 nan 8.280 nan 0.000 0.460 122 V N 3.235 123.263 119.914 0.189 0.000 2.808 122 V HA 0.533 4.653 4.120 0.001 0.000 0.308 122 V C -0.836 175.306 176.094 0.079 0.000 1.099 122 V CA -0.839 61.483 62.300 0.037 0.000 0.920 122 V CB 2.054 33.962 31.823 0.142 0.000 1.014 122 V HN 0.756 nan 8.190 nan 0.000 0.425 123 I N 6.362 126.954 120.570 0.037 0.000 2.517 123 I HA 0.383 4.553 4.170 0.001 0.000 0.280 123 I C -2.688 173.541 176.117 0.186 0.000 1.061 123 I CA -1.470 59.861 61.300 0.052 0.000 1.091 123 I CB 2.760 40.832 38.000 0.120 0.000 1.205 123 I HN 0.432 nan 8.210 nan 0.000 0.459 124 P HA 0.219 nan 4.420 nan 0.000 0.285 124 P C -0.391 177.024 177.300 0.192 0.000 1.269 124 P CA -0.384 62.855 63.100 0.233 0.000 0.844 124 P CB 1.154 33.104 31.700 0.415 0.000 1.094 125 T N -1.951 112.632 114.554 0.049 0.000 2.751 125 T HA 0.127 4.477 4.350 0.001 0.000 0.290 125 T C 1.434 176.313 174.700 0.298 0.000 0.919 125 T CA -0.016 62.107 62.100 0.039 0.000 1.136 125 T CB -0.791 67.895 68.868 -0.302 0.000 0.875 125 T HN 0.540 nan 8.240 nan 0.000 0.532 126 T N -0.155 114.644 114.554 0.408 0.000 2.985 126 T HA 0.095 4.445 4.350 0.001 0.000 0.266 126 T C 0.552 175.611 174.700 0.598 0.000 1.076 126 T CA 0.256 62.637 62.100 0.467 0.000 1.135 126 T CB -0.045 69.011 68.868 0.312 0.000 0.890 126 T HN 0.686 nan 8.240 nan 0.000 0.480 127 K N 0.416 121.093 120.400 0.462 0.000 2.606 127 K HA 0.176 4.497 4.320 0.001 0.000 0.259 127 K C -1.427 175.272 176.600 0.165 0.000 1.001 127 K CA -0.673 55.792 56.287 0.295 0.000 0.881 127 K CB 1.311 33.940 32.500 0.215 0.000 1.288 127 K HN 0.305 nan 8.250 nan 0.000 0.452 128 H N 1.828 120.962 119.070 0.107 0.000 2.748 128 H HA 0.218 4.774 4.556 0.001 0.000 0.288 128 H C 0.792 176.015 175.328 -0.174 0.000 1.539 128 H CA 0.095 56.111 56.048 -0.054 0.000 1.577 128 H CB 0.955 30.616 29.762 -0.167 0.000 1.721 128 H HN 0.678 nan 8.280 nan 0.000 0.869 129 H N 0.147 118.887 119.070 -0.551 0.000 2.457 129 H HA -0.133 4.424 4.556 0.001 0.000 0.297 129 H C 1.400 176.177 175.328 -0.917 0.000 1.092 129 H CA 1.411 56.817 56.048 -1.070 0.000 1.309 129 H CB -0.422 28.098 29.762 -2.070 0.000 1.382 129 H HN 0.574 nan 8.280 nan 0.000 0.535 130 D N -0.578 119.725 120.400 -0.162 0.000 2.371 130 D HA 0.007 4.648 4.640 0.001 0.000 0.221 130 D C 1.736 178.321 176.300 0.476 0.000 0.986 130 D CA 0.887 55.093 54.000 0.344 0.000 0.899 130 D CB -0.469 40.727 40.800 0.661 0.000 0.902 130 D HN 0.426 nan 8.370 nan 0.000 0.530 131 G N -0.333 108.665 108.800 0.329 0.000 2.179 131 G HA2 -0.305 3.655 3.960 0.001 0.000 0.260 131 G HA3 -0.305 3.655 3.960 0.001 0.000 0.260 131 G C -0.009 175.202 174.900 0.517 0.000 0.977 131 G CA 0.099 45.467 45.100 0.446 0.000 0.641 131 G HN 0.442 nan 8.290 nan 0.000 0.533 132 F N 2.278 122.388 119.950 0.267 0.000 2.467 132 F HA 0.540 5.067 4.527 0.001 0.000 0.362 132 F C 0.876 176.654 175.800 -0.037 0.000 1.090 132 F CA -0.588 57.311 58.000 -0.168 0.000 1.202 132 F CB 0.462 39.179 39.000 -0.472 0.000 1.113 132 F HN 0.187 nan 8.300 nan 0.000 0.541 133 C N 7.711 126.536 119.300 -0.791 0.000 2.330 133 C HA 0.312 4.772 4.460 0.001 0.000 0.344 133 C C 0.941 175.635 174.990 -0.494 0.000 1.273 133 C CA -0.818 57.911 59.018 -0.482 0.000 1.879 133 C CB 0.490 27.813 27.740 -0.695 0.000 2.376 133 C HN 0.804 nan 8.230 nan 0.000 0.534 134 L N 2.835 124.105 121.223 0.078 0.000 2.688 134 L HA 0.228 4.569 4.340 0.001 0.000 0.234 134 L C 0.115 177.176 176.870 0.317 0.000 1.192 134 L CA 0.463 55.397 54.840 0.157 0.000 0.984 134 L CB -0.836 41.371 42.059 0.248 0.000 1.232 134 L HN 0.897 nan 8.230 nan 0.000 0.465 135 W N -3.370 117.938 121.300 0.015 0.000 3.029 135 W HA 0.682 5.342 4.660 0.001 0.000 0.339 135 W C 0.635 177.187 176.519 0.055 0.000 1.198 135 W CA -1.499 55.903 57.345 0.096 0.000 1.148 135 W CB 0.651 30.265 29.460 0.256 0.000 1.451 135 W HN -0.182 nan 8.180 nan 0.000 0.564 136 G N 1.972 110.830 108.800 0.098 0.000 3.197 136 G HA2 0.250 4.210 3.960 0.001 0.000 0.257 136 G HA3 0.250 4.210 3.960 0.001 0.000 0.257 136 G C 0.129 174.887 174.900 -0.236 0.000 0.835 136 G CA 0.111 45.149 45.100 -0.103 0.000 2.001 136 G HN 0.629 nan 8.290 nan 0.000 0.625 137 T N -0.132 113.978 114.554 -0.740 0.000 2.906 137 T HA 0.087 4.437 4.350 0.001 0.000 0.320 137 T C 1.632 176.148 174.700 -0.307 0.000 1.088 137 T CA 0.137 61.913 62.100 -0.539 0.000 1.120 137 T CB 0.454 68.819 68.868 -0.839 0.000 1.000 137 T HN 0.576 nan 8.240 nan 0.000 0.550 138 K N 2.851 123.022 120.400 -0.382 0.000 2.387 138 K HA 0.076 4.396 4.320 0.001 0.000 0.198 138 K C 0.400 176.728 176.600 -0.454 0.000 1.022 138 K CA 0.295 56.322 56.287 -0.432 0.000 1.128 138 K CB 0.125 32.340 32.500 -0.475 0.000 0.853 138 K HN 0.729 nan 8.250 nan 0.000 0.523 139 Y N 0.858 121.210 120.300 0.086 0.000 2.458 139 Y HA 0.157 4.708 4.550 0.001 0.000 0.256 139 Y C 0.656 176.719 175.900 0.273 0.000 1.159 139 Y CA -0.369 57.858 58.100 0.212 0.000 1.261 139 Y CB 1.327 39.967 38.460 0.300 0.000 1.119 139 Y HN 0.041 nan 8.280 nan 0.000 0.524 140 T N -1.172 113.525 114.554 0.239 0.000 2.942 140 T HA 0.166 4.517 4.350 0.001 0.000 0.327 140 T C -0.539 174.194 174.700 0.055 0.000 1.360 140 T CA -0.618 61.594 62.100 0.186 0.000 1.055 140 T CB 1.292 70.339 68.868 0.298 0.000 1.261 140 T HN -0.074 nan 8.240 nan 0.000 0.485 141 D N 1.571 122.015 120.400 0.073 0.000 2.349 141 D HA 0.126 4.767 4.640 0.001 0.000 0.215 141 D C 0.275 176.644 176.300 0.116 0.000 1.016 141 D CA 0.271 54.301 54.000 0.051 0.000 0.870 141 D CB 0.061 40.896 40.800 0.058 0.000 0.917 141 D HN 0.383 nan 8.370 nan 0.000 0.524 142 F N 3.072 122.992 119.950 -0.050 0.000 2.652 142 F HA 0.179 4.706 4.527 0.001 0.000 0.352 142 F C 0.087 175.663 175.800 -0.373 0.000 1.259 142 F CA -0.841 57.148 58.000 -0.018 0.000 1.249 142 F CB -0.992 38.061 39.000 0.089 0.000 1.628 142 F HN -0.133 nan 8.300 nan 0.000 0.654 143 N N -1.279 117.106 118.700 -0.526 0.000 2.732 143 N HA 0.205 4.945 4.740 0.001 0.000 0.259 143 N C 0.275 175.435 175.510 -0.583 0.000 1.402 143 N CA -0.222 52.256 53.050 -0.953 0.000 0.829 143 N CB 0.774 38.905 38.487 -0.593 0.000 1.495 143 N HN -0.080 nan 8.380 nan 0.000 0.511 144 S N -0.804 114.606 115.700 -0.484 0.000 2.442 144 S HA -0.109 4.361 4.470 0.001 0.000 0.236 144 S C 1.348 175.898 174.600 -0.083 0.000 1.007 144 S CA 1.072 59.221 58.200 -0.085 0.000 0.965 144 S CB -0.582 62.564 63.200 -0.090 0.000 0.773 144 S HN 0.368 nan 8.310 nan 0.000 0.504 145 V N 1.713 121.567 119.914 -0.101 0.000 2.407 145 V HA -0.017 4.104 4.120 0.001 0.000 0.245 145 V C 2.725 178.794 176.094 -0.041 0.000 1.041 145 V CA 1.476 63.743 62.300 -0.055 0.000 1.040 145 V CB -0.437 31.359 31.823 -0.044 0.000 0.671 145 V HN 0.400 nan 8.190 nan 0.000 0.455 146 K N -0.169 120.202 120.400 -0.047 0.000 2.116 146 K HA 0.071 4.392 4.320 0.001 0.000 0.203 146 K C 1.092 177.706 176.600 0.024 0.000 1.052 146 K CA 0.706 56.986 56.287 -0.011 0.000 0.952 146 K CB 0.059 32.555 32.500 -0.006 0.000 0.729 146 K HN 0.332 nan 8.250 nan 0.000 0.446 147 R N -1.200 119.334 120.500 0.058 0.000 3.006 147 R HA 0.337 4.678 4.340 0.001 0.000 0.235 147 R C 1.221 177.545 176.300 0.040 0.000 1.362 147 R CA -0.033 56.121 56.100 0.090 0.000 1.067 147 R CB -0.356 30.067 30.300 0.206 0.000 1.396 147 R HN 0.181 nan 8.270 nan 0.000 0.504 148 G N 1.602 110.400 108.800 -0.004 0.000 2.812 148 G HA2 -0.348 3.613 3.960 0.001 0.000 0.366 148 G HA3 -0.348 3.613 3.960 0.001 0.000 0.366 148 G C -1.334 173.447 174.900 -0.197 0.000 1.183 148 G CA 1.193 46.230 45.100 -0.105 0.000 1.076 148 G HN 0.492 nan 8.290 nan 0.000 0.750 149 P HA 0.107 nan 4.420 nan 0.000 0.221 149 P C 0.565 177.765 177.300 -0.167 0.000 1.150 149 P CA 1.403 64.293 63.100 -0.350 0.000 0.800 149 P CB 0.105 31.464 31.700 -0.568 0.000 0.787 150 K N -0.730 119.603 120.400 -0.112 0.000 3.150 150 K HA -0.191 4.130 4.320 0.001 0.000 0.267 150 K C 0.029 176.604 176.600 -0.040 0.000 1.028 150 K CA 0.804 57.058 56.287 -0.055 0.000 0.753 150 K CB -1.766 30.712 32.500 -0.038 0.000 1.288 150 K HN 0.413 nan 8.250 nan 0.000 0.473 151 R N 0.371 120.840 120.500 -0.053 0.000 2.634 151 R HA 0.115 4.456 4.340 0.001 0.000 0.263 151 R C -1.614 174.695 176.300 0.015 0.000 1.060 151 R CA -0.688 55.410 56.100 -0.003 0.000 0.898 151 R CB 1.173 31.480 30.300 0.012 0.000 1.253 151 R HN 0.005 nan 8.270 nan 0.000 0.461 152 D N 4.830 125.284 120.400 0.089 0.000 2.508 152 D HA 0.102 4.743 4.640 0.001 0.000 0.224 152 D C 1.201 177.604 176.300 0.171 0.000 1.171 152 D CA -0.053 54.039 54.000 0.153 0.000 1.006 152 D CB 0.358 41.288 40.800 0.216 0.000 1.073 152 D HN 0.526 nan 8.370 nan 0.000 0.513 153 L N 2.296 123.573 121.223 0.091 0.000 2.042 153 L HA -0.198 4.143 4.340 0.001 0.000 0.210 153 L C 2.336 179.351 176.870 0.241 0.000 1.076 153 L CA 0.695 55.574 54.840 0.064 0.000 0.749 153 L CB -0.449 41.513 42.059 -0.162 0.000 0.893 153 L HN 0.274 nan 8.230 nan 0.000 0.432 154 V N 0.392 120.424 119.914 0.198 0.000 2.261 154 V HA -0.194 3.927 4.120 0.001 0.000 0.246 154 V C 2.688 178.672 176.094 -0.184 0.000 1.047 154 V CA 2.062 64.418 62.300 0.093 0.000 1.015 154 V CB -1.370 30.436 31.823 -0.027 0.000 0.642 154 V HN 0.555 nan 8.190 nan 0.000 0.446 155 G N -0.301 108.388 108.800 -0.185 0.000 2.446 155 G HA2 -0.271 3.689 3.960 0.001 0.000 0.217 155 G HA3 -0.271 3.689 3.960 0.001 0.000 0.217 155 G C 1.242 176.131 174.900 -0.018 0.000 1.168 155 G CA 1.132 46.185 45.100 -0.078 0.000 0.771 155 G HN 0.496 nan 8.290 nan 0.000 0.551 156 D N -0.157 120.305 120.400 0.104 0.000 2.144 156 D HA -0.072 4.568 4.640 0.001 0.000 0.199 156 D C 2.339 178.672 176.300 0.056 0.000 0.984 156 D CA 0.467 54.530 54.000 0.104 0.000 0.834 156 D CB -0.202 40.745 40.800 0.245 0.000 0.955 156 D HN 0.265 nan 8.370 nan 0.000 0.465 157 L N 0.516 121.854 121.223 0.192 0.000 2.109 157 L HA 0.079 4.420 4.340 0.001 0.000 0.207 157 L C 2.041 178.836 176.870 -0.124 0.000 1.086 157 L CA 1.417 56.374 54.840 0.196 0.000 0.760 157 L CB -0.676 41.710 42.059 0.544 0.000 0.910 157 L HN -0.043 nan 8.230 nan 0.000 0.437 158 A N -0.192 122.287 122.820 -0.567 0.000 1.908 158 A HA -0.283 4.037 4.320 0.001 0.000 0.218 158 A C 2.452 179.773 177.584 -0.437 0.000 1.181 158 A CA 2.082 53.424 52.037 -1.157 0.000 0.627 158 A CB -0.662 17.484 19.000 -1.423 0.000 0.818 158 A HN 0.535 nan 8.150 nan 0.000 0.445 159 K N -0.308 119.950 120.400 -0.237 0.000 2.026 159 K HA -0.081 4.239 4.320 0.001 0.000 0.208 159 K C 2.157 178.700 176.600 -0.094 0.000 1.048 159 K CA 1.347 57.563 56.287 -0.118 0.000 0.929 159 K CB -0.381 32.077 32.500 -0.069 0.000 0.713 159 K HN 0.331 nan 8.250 nan 0.000 0.439 160 A N 0.818 123.579 122.820 -0.098 0.000 1.877 160 A HA -0.104 4.216 4.320 0.001 0.000 0.216 160 A C 2.281 179.856 177.584 -0.016 0.000 1.186 160 A CA 1.690 53.681 52.037 -0.077 0.000 0.620 160 A CB -0.745 18.183 19.000 -0.120 0.000 0.822 160 A HN 0.187 nan 8.150 nan 0.000 0.443 161 V N -0.123 119.809 119.914 0.029 0.000 2.332 161 V HA -0.288 3.833 4.120 0.001 0.000 0.248 161 V C 2.678 178.816 176.094 0.073 0.000 1.055 161 V CA 2.412 64.785 62.300 0.122 0.000 1.038 161 V CB -0.789 31.192 31.823 0.263 0.000 0.651 161 V HN 0.532 nan 8.190 nan 0.000 0.450 162 R N -0.411 120.098 120.500 0.016 0.000 2.092 162 R HA -0.135 4.205 4.340 0.001 0.000 0.231 162 R C 2.308 178.607 176.300 -0.000 0.000 1.119 162 R CA 1.401 57.507 56.100 0.011 0.000 0.970 162 R CB -0.237 30.054 30.300 -0.015 0.000 0.864 162 R HN 0.594 nan 8.270 nan 0.000 0.440 163 E N 0.173 120.365 120.200 -0.015 0.000 2.153 163 E HA -0.146 4.205 4.350 0.001 0.000 0.194 163 E C 1.593 178.187 176.600 -0.009 0.000 0.988 163 E CA 1.115 57.504 56.400 -0.018 0.000 0.811 163 E CB 0.008 29.689 29.700 -0.033 0.000 0.746 163 E HN 0.350 nan 8.360 nan 0.000 0.466 164 A N -0.048 122.775 122.820 0.004 0.000 2.235 164 A HA 0.192 4.512 4.320 0.001 0.000 0.208 164 A C 1.693 179.288 177.584 0.019 0.000 1.172 164 A CA 0.872 52.916 52.037 0.013 0.000 0.786 164 A CB -0.383 18.635 19.000 0.031 0.000 0.804 164 A HN 0.347 nan 8.150 nan 0.000 0.479 165 G N -1.580 107.230 108.800 0.017 0.000 2.159 165 G HA2 -0.205 3.755 3.960 0.001 0.000 0.256 165 G HA3 -0.205 3.755 3.960 0.001 0.000 0.256 165 G C 0.054 174.967 174.900 0.021 0.000 0.977 165 G CA 0.370 45.477 45.100 0.011 0.000 0.652 165 G HN 0.447 nan 8.290 nan 0.000 0.531 166 L N 0.168 121.422 121.223 0.051 0.000 2.375 166 L HA 0.647 4.987 4.340 0.001 0.000 0.268 166 L C 1.088 178.006 176.870 0.080 0.000 1.058 166 L CA -1.315 53.572 54.840 0.078 0.000 0.803 166 L CB 0.795 42.930 42.059 0.126 0.000 1.212 166 L HN -0.026 nan 8.230 nan 0.000 0.451 167 R N 0.925 121.460 120.500 0.059 0.000 2.582 167 R HA 0.350 4.690 4.340 0.001 0.000 0.271 167 R C -1.036 175.408 176.300 0.240 0.000 1.078 167 R CA -0.240 55.851 56.100 -0.014 0.000 1.127 167 R CB 0.909 30.979 30.300 -0.384 0.000 1.038 167 R HN 0.367 nan 8.270 nan 0.000 0.500 168 F N -0.034 119.966 119.950 0.084 0.000 2.536 168 F HA 0.542 5.070 4.527 0.001 0.000 0.322 168 F C -0.219 175.727 175.800 0.243 0.000 1.144 168 F CA -0.420 57.685 58.000 0.175 0.000 0.924 168 F CB 1.751 40.835 39.000 0.140 0.000 1.181 168 F HN 0.561 nan 8.300 nan 0.000 0.438 169 G N 3.250 111.801 108.800 -0.415 0.000 2.788 169 G HA2 0.671 4.631 3.960 0.001 0.000 0.293 169 G HA3 0.671 4.631 3.960 0.001 0.000 0.293 169 G C -1.675 172.927 174.900 -0.497 0.000 1.305 169 G CA -0.630 44.347 45.100 -0.206 0.000 1.005 169 G HN 1.096 nan 8.290 nan 0.000 0.496 170 V N -2.397 117.484 119.914 -0.055 0.000 2.789 170 V HA 0.739 4.860 4.120 0.001 0.000 0.311 170 V C -1.298 174.974 176.094 0.297 0.000 1.073 170 V CA -1.274 61.054 62.300 0.047 0.000 0.921 170 V CB 1.288 33.141 31.823 0.050 0.000 1.009 170 V HN 0.844 nan 8.190 nan 0.000 0.426 171 Y N 4.576 125.007 120.300 0.218 0.000 2.360 171 Y HA 0.768 5.319 4.550 0.001 0.000 0.337 171 Y C -1.379 174.697 175.900 0.293 0.000 1.039 171 Y CA -0.923 57.364 58.100 0.311 0.000 1.109 171 Y CB 1.901 40.464 38.460 0.171 0.000 1.201 171 Y HN 0.875 nan 8.280 nan 0.000 0.458 172 Y N 4.383 124.465 120.300 -0.363 0.000 2.361 172 Y HA 0.291 4.841 4.550 0.001 0.000 0.328 172 Y C -0.764 174.905 175.900 -0.385 0.000 1.044 172 Y CA -0.877 57.127 58.100 -0.160 0.000 1.085 172 Y CB 1.779 40.255 38.460 0.028 0.000 1.194 172 Y HN 0.616 nan 8.280 nan 0.000 0.438 173 S N 4.338 119.628 115.700 -0.684 0.000 3.517 173 S HA 0.191 4.661 4.470 0.001 0.000 0.284 173 S C 1.190 175.533 174.600 -0.428 0.000 1.260 173 S CA 0.556 58.482 58.200 -0.456 0.000 0.975 173 S CB -0.648 62.388 63.200 -0.273 0.000 1.540 173 S HN 1.054 nan 8.310 nan 0.000 0.506 174 G N 3.251 111.985 108.800 -0.109 0.000 2.403 174 G HA2 -0.017 3.944 3.960 0.001 0.000 0.216 174 G HA3 -0.017 3.944 3.960 0.001 0.000 0.216 174 G C 1.269 176.103 174.900 -0.110 0.000 1.154 174 G CA 0.478 45.581 45.100 0.006 0.000 0.784 174 G HN 0.727 nan 8.290 nan 0.000 0.538 175 G N -0.478 108.264 108.800 -0.097 0.000 2.650 175 G HA2 0.340 4.301 3.960 0.001 0.000 0.214 175 G HA3 0.340 4.301 3.960 0.001 0.000 0.214 175 G C 0.342 175.101 174.900 -0.235 0.000 1.136 175 G CA 0.032 45.057 45.100 -0.124 0.000 0.789 175 G HN 0.355 nan 8.290 nan 0.000 0.536 176 L N 0.007 121.036 121.223 -0.323 0.000 2.455 176 L HA 0.498 4.838 4.340 0.001 0.000 0.264 176 L C -1.864 174.715 176.870 -0.485 0.000 0.968 176 L CA -0.877 53.672 54.840 -0.485 0.000 0.827 176 L CB 2.954 44.547 42.059 -0.776 0.000 1.317 176 L HN -0.149 nan 8.230 nan 0.000 0.407 177 D N 1.808 121.927 120.400 -0.469 0.000 2.470 177 D HA 0.147 4.788 4.640 0.001 0.000 0.233 177 D C -0.134 176.185 176.300 0.032 0.000 1.372 177 D CA -0.337 53.536 54.000 -0.211 0.000 0.994 177 D CB 1.160 41.959 40.800 -0.002 0.000 1.377 177 D HN 0.383 nan 8.370 nan 0.000 0.586 178 W N 2.805 124.138 121.300 0.055 0.000 2.961 178 W HA 0.062 4.723 4.660 0.001 0.000 0.240 178 W C 1.554 178.099 176.519 0.043 0.000 1.305 178 W CA -0.190 57.161 57.345 0.011 0.000 1.465 178 W CB -0.283 29.150 29.460 -0.045 0.000 1.135 178 W HN 0.321 nan 8.180 nan 0.000 0.688 179 R N -0.407 120.269 120.500 0.293 0.000 2.275 179 R HA -0.008 4.332 4.340 0.001 0.000 0.199 179 R C 0.790 176.990 176.300 -0.167 0.000 0.989 179 R CA 0.623 56.738 56.100 0.024 0.000 1.016 179 R CB -0.705 29.555 30.300 -0.067 0.000 0.918 179 R HN 0.195 nan 8.270 nan 0.000 0.473 180 F N -0.048 119.888 119.950 -0.023 0.000 2.682 180 F HA 0.133 4.661 4.527 0.001 0.000 0.308 180 F C 0.955 176.720 175.800 -0.057 0.000 1.093 180 F CA -0.185 57.773 58.000 -0.070 0.000 1.244 180 F CB 0.480 39.385 39.000 -0.158 0.000 1.052 180 F HN -0.191 nan 8.300 nan 0.000 0.573 181 T N -4.208 110.425 114.554 0.132 0.000 2.887 181 T HA 0.501 4.852 4.350 0.001 0.000 0.292 181 T C 0.636 175.344 174.700 0.013 0.000 1.087 181 T CA 0.090 62.228 62.100 0.063 0.000 1.009 181 T CB 2.077 70.982 68.868 0.062 0.000 1.203 181 T HN -0.007 nan 8.240 nan 0.000 0.518 182 T N -2.729 111.812 114.554 -0.022 0.000 2.989 182 T HA 0.305 4.656 4.350 0.001 0.000 0.250 182 T C 0.396 175.045 174.700 -0.084 0.000 0.981 182 T CA -0.026 62.047 62.100 -0.045 0.000 0.980 182 T CB -0.130 68.722 68.868 -0.027 0.000 1.133 182 T HN 0.599 nan 8.240 nan 0.000 0.489 183 E N 4.140 124.292 120.200 -0.081 0.000 2.313 183 E HA 0.416 4.767 4.350 0.001 0.000 0.276 183 E C -2.398 174.085 176.600 -0.195 0.000 1.031 183 E CA -2.351 53.986 56.400 -0.104 0.000 0.857 183 E CB 0.912 30.580 29.700 -0.054 0.000 1.040 183 E HN 0.275 nan 8.360 nan 0.000 0.408 184 P HA 0.174 nan 4.420 nan 0.000 0.276 184 P C -0.525 176.586 177.300 -0.315 0.000 1.252 184 P CA -0.478 62.418 63.100 -0.340 0.000 0.802 184 P CB 0.761 32.281 31.700 -0.301 0.000 1.035 185 I N 2.626 122.975 120.570 -0.368 0.000 2.379 185 I HA 0.189 4.359 4.170 0.001 0.000 0.290 185 I C 1.787 177.527 176.117 -0.629 0.000 1.063 185 I CA 0.124 61.139 61.300 -0.475 0.000 1.351 185 I CB 0.269 37.971 38.000 -0.498 0.000 1.410 185 I HN 0.447 nan 8.210 nan 0.000 0.505 186 R N 4.255 124.423 120.500 -0.553 0.000 2.221 186 R HA 0.192 4.533 4.340 0.001 0.000 0.195 186 R C -0.552 175.241 176.300 -0.846 0.000 0.956 186 R CA 0.438 56.083 56.100 -0.760 0.000 1.064 186 R CB 0.631 30.624 30.300 -0.513 0.000 1.049 186 R HN 0.455 nan 8.270 nan 0.000 0.534 187 Y N -1.274 118.954 120.300 -0.121 0.000 2.581 187 Y HA 0.282 4.833 4.550 0.001 0.000 0.345 187 Y C -1.917 173.993 175.900 0.017 0.000 1.036 187 Y CA -2.673 55.499 58.100 0.121 0.000 1.042 187 Y CB 1.591 40.138 38.460 0.144 0.000 1.289 187 Y HN -0.200 nan 8.280 nan 0.000 0.471 188 P HA -0.163 nan 4.420 nan 0.000 0.216 188 P C 0.692 178.059 177.300 0.112 0.000 1.150 188 P CA 1.698 64.939 63.100 0.235 0.000 0.843 188 P CB 0.403 32.234 31.700 0.219 0.000 0.787 189 E N -0.339 119.950 120.200 0.147 0.000 2.118 189 E HA -0.193 4.158 4.350 0.001 0.000 0.195 189 E C 1.668 178.317 176.600 0.081 0.000 0.992 189 E CA 1.282 57.758 56.400 0.127 0.000 0.804 189 E CB -1.082 28.709 29.700 0.152 0.000 0.741 189 E HN 0.320 nan 8.360 nan 0.000 0.458 190 D N 0.158 120.548 120.400 -0.016 0.000 2.182 190 D HA -0.159 4.482 4.640 0.001 0.000 0.201 190 D C 1.759 177.789 176.300 -0.450 0.000 0.986 190 D CA 0.703 54.481 54.000 -0.369 0.000 0.847 190 D CB -0.203 40.404 40.800 -0.322 0.000 0.942 190 D HN 0.229 nan 8.370 nan 0.000 0.467 191 L N 1.014 122.112 121.223 -0.208 0.000 2.353 191 L HA -0.140 4.200 4.340 0.001 0.000 0.220 191 L C 2.335 179.147 176.870 -0.096 0.000 1.133 191 L CA 0.962 55.722 54.840 -0.133 0.000 0.798 191 L CB -0.396 41.648 42.059 -0.026 0.000 0.922 191 L HN 0.069 nan 8.230 nan 0.000 0.445 192 S N -0.741 114.929 115.700 -0.050 0.000 2.496 192 S HA -0.133 4.338 4.470 0.001 0.000 0.224 192 S C 1.508 176.173 174.600 0.108 0.000 0.996 192 S CA 0.675 58.907 58.200 0.054 0.000 0.927 192 S CB -0.173 63.102 63.200 0.124 0.000 0.774 192 S HN 0.673 nan 8.310 nan 0.000 0.524 193 Y N -0.742 119.553 120.300 -0.009 0.000 2.437 193 Y HA 0.561 5.111 4.550 0.001 0.000 0.266 193 Y C 0.401 176.287 175.900 -0.024 0.000 1.077 193 Y CA -1.082 57.009 58.100 -0.016 0.000 1.235 193 Y CB 0.218 38.672 38.460 -0.009 0.000 1.303 193 Y HN 0.089 nan 8.280 nan 0.000 0.536 194 I N 4.645 124.926 120.570 -0.481 0.000 2.241 194 I HA 0.336 4.507 4.170 0.001 0.000 0.294 194 I C -0.457 175.562 176.117 -0.162 0.000 1.145 194 I CA -0.029 61.099 61.300 -0.285 0.000 1.261 194 I CB -0.205 37.566 38.000 -0.382 0.000 1.475 194 I HN 0.182 nan 8.210 nan 0.000 0.533 195 R N 4.655 125.085 120.500 -0.116 0.000 2.764 195 R HA 0.386 4.727 4.340 0.001 0.000 0.270 195 R C -2.129 174.066 176.300 -0.174 0.000 1.014 195 R CA -1.751 54.253 56.100 -0.159 0.000 0.904 195 R CB 0.728 30.938 30.300 -0.150 0.000 1.236 195 R HN -0.039 nan 8.270 nan 0.000 0.466 196 P HA -0.129 nan 4.420 nan 0.000 0.215 196 P C -0.088 177.122 177.300 -0.149 0.000 1.157 196 P CA 1.300 64.192 63.100 -0.345 0.000 0.874 196 P CB 0.278 31.337 31.700 -1.069 0.000 0.790 197 N N -3.649 114.961 118.700 -0.150 0.000 2.946 197 N HA -0.131 4.610 4.740 0.001 0.000 0.228 197 N C 0.160 175.604 175.510 -0.110 0.000 0.873 197 N CA 1.911 54.904 53.050 -0.095 0.000 1.029 197 N CB -2.258 36.199 38.487 -0.050 0.000 1.047 197 N HN 0.384 nan 8.380 nan 0.000 0.612 198 T N -2.883 111.637 114.554 -0.056 0.000 2.899 198 T HA 0.457 4.808 4.350 0.001 0.000 0.284 198 T C 1.285 175.931 174.700 -0.090 0.000 1.004 198 T CA -0.462 61.611 62.100 -0.045 0.000 1.043 198 T CB 0.843 69.770 68.868 0.098 0.000 1.013 198 T HN 0.095 nan 8.240 nan 0.000 0.518 199 Y N 0.055 120.388 120.300 0.056 0.000 2.224 199 Y HA -0.056 4.495 4.550 0.001 0.000 0.289 199 Y C 2.808 178.730 175.900 0.038 0.000 1.146 199 Y CA 1.698 59.819 58.100 0.035 0.000 1.182 199 Y CB -0.265 38.210 38.460 0.025 0.000 0.983 199 Y HN 0.904 nan 8.280 nan 0.000 0.524 200 E N -0.294 120.035 120.200 0.214 0.000 2.070 200 E HA -0.335 4.016 4.350 0.001 0.000 0.197 200 E C 2.028 178.708 176.600 0.133 0.000 1.004 200 E CA 1.674 58.181 56.400 0.177 0.000 0.805 200 E CB -0.543 29.279 29.700 0.202 0.000 0.744 200 E HN 0.570 nan 8.360 nan 0.000 0.451 201 Y N 0.738 121.015 120.300 -0.038 0.000 2.181 201 Y HA -0.135 4.415 4.550 0.001 0.000 0.288 201 Y C 2.146 177.962 175.900 -0.140 0.000 1.146 201 Y CA 1.630 59.580 58.100 -0.250 0.000 1.164 201 Y CB -0.646 37.484 38.460 -0.550 0.000 0.982 201 Y HN 0.178 nan 8.280 nan 0.000 0.515 202 A N 0.054 122.747 122.820 -0.212 0.000 1.940 202 A HA -0.198 4.123 4.320 0.001 0.000 0.219 202 A C 1.944 179.458 177.584 -0.116 0.000 1.176 202 A CA 2.040 53.936 52.037 -0.234 0.000 0.631 202 A CB -0.778 18.186 19.000 -0.061 0.000 0.814 202 A HN 0.529 nan 8.150 nan 0.000 0.446 203 D N -1.747 118.639 120.400 -0.023 0.000 2.117 203 D HA -0.134 4.506 4.640 0.001 0.000 0.198 203 D C 1.686 178.000 176.300 0.024 0.000 0.982 203 D CA 1.451 55.472 54.000 0.036 0.000 0.828 203 D CB -0.503 40.327 40.800 0.050 0.000 0.967 203 D HN 0.572 nan 8.370 nan 0.000 0.464 204 Y N 1.905 122.094 120.300 -0.185 0.000 2.097 204 Y HA -0.246 4.304 4.550 0.001 0.000 0.282 204 Y C 2.283 178.048 175.900 -0.225 0.000 1.152 204 Y CA 1.877 59.855 58.100 -0.204 0.000 1.136 204 Y CB -0.578 37.800 38.460 -0.138 0.000 0.975 204 Y HN -0.048 nan 8.280 nan 0.000 0.498 205 A N -0.565 121.993 122.820 -0.437 0.000 1.902 205 A HA -0.262 4.058 4.320 0.001 0.000 0.217 205 A C 2.214 179.762 177.584 -0.059 0.000 1.181 205 A CA 1.780 53.563 52.037 -0.423 0.000 0.623 205 A CB -1.693 16.776 19.000 -0.885 0.000 0.818 205 A HN 0.738 nan 8.150 nan 0.000 0.443 206 Y N 0.813 121.122 120.300 0.014 0.000 2.145 206 Y HA -0.200 4.350 4.550 0.001 0.000 0.286 206 Y C 2.210 178.055 175.900 -0.091 0.000 1.145 206 Y CA 2.328 60.502 58.100 0.124 0.000 1.148 206 Y CB -0.195 38.315 38.460 0.082 0.000 0.981 206 Y HN 0.257 nan 8.280 nan 0.000 0.507 207 K N -0.175 120.107 120.400 -0.196 0.000 2.097 207 K HA -0.174 4.147 4.320 0.001 0.000 0.205 207 K C 2.123 178.532 176.600 -0.318 0.000 1.050 207 K CA 1.572 57.608 56.287 -0.418 0.000 0.938 207 K CB -0.188 31.869 32.500 -0.738 0.000 0.718 207 K HN 0.520 nan 8.250 nan 0.000 0.442 208 Q N 0.392 120.011 119.800 -0.302 0.000 2.079 208 Q HA -0.111 4.230 4.340 0.001 0.000 0.200 208 Q C 2.194 178.089 176.000 -0.176 0.000 0.974 208 Q CA 1.201 56.968 55.803 -0.060 0.000 0.840 208 Q CB 0.016 28.708 28.738 -0.076 0.000 0.898 208 Q HN 0.112 nan 8.270 nan 0.000 0.430 209 V N 0.711 120.404 119.914 -0.369 0.000 2.453 209 V HA -0.233 3.887 4.120 0.001 0.000 0.247 209 V C 2.263 178.214 176.094 -0.237 0.000 1.048 209 V CA 1.168 63.276 62.300 -0.321 0.000 1.049 209 V CB -0.377 31.327 31.823 -0.199 0.000 0.672 209 V HN 0.400 nan 8.190 nan 0.000 0.457 210 M N -0.321 119.084 119.600 -0.326 0.000 2.108 210 M HA -0.206 4.275 4.480 0.001 0.000 0.261 210 M C 2.188 178.428 176.300 -0.101 0.000 1.066 210 M CA 1.716 56.831 55.300 -0.309 0.000 1.107 210 M CB -1.108 31.147 32.600 -0.575 0.000 1.356 210 M HN 0.480 nan 8.290 nan 0.000 0.406 211 E N 0.342 120.522 120.200 -0.032 0.000 2.077 211 E HA -0.177 4.174 4.350 0.001 0.000 0.193 211 E C 2.137 178.715 176.600 -0.036 0.000 0.989 211 E CA 0.967 57.419 56.400 0.087 0.000 0.800 211 E CB 0.019 29.932 29.700 0.355 0.000 0.746 211 E HN 0.450 nan 8.360 nan 0.000 0.452 212 L N 0.066 121.216 121.223 -0.121 0.000 2.056 212 L HA -0.173 4.167 4.340 0.001 0.000 0.207 212 L C 2.497 179.365 176.870 -0.003 0.000 1.078 212 L CA 0.610 55.362 54.840 -0.147 0.000 0.749 212 L CB -0.287 41.633 42.059 -0.232 0.000 0.901 212 L HN 0.098 nan 8.230 nan 0.000 0.433 213 V N -0.201 119.720 119.914 0.011 0.000 2.261 213 V HA -0.309 3.812 4.120 0.001 0.000 0.246 213 V C 2.115 178.272 176.094 0.105 0.000 1.047 213 V CA 2.003 64.373 62.300 0.117 0.000 1.015 213 V CB -0.495 31.433 31.823 0.175 0.000 0.642 213 V HN 0.438 nan 8.190 nan 0.000 0.446 214 D N -0.122 120.323 120.400 0.075 0.000 2.144 214 D HA -0.095 4.545 4.640 0.001 0.000 0.199 214 D C 2.083 178.330 176.300 -0.089 0.000 0.984 214 D CA 1.210 55.236 54.000 0.043 0.000 0.834 214 D CB -0.108 40.734 40.800 0.070 0.000 0.955 214 D HN 0.356 nan 8.370 nan 0.000 0.465 215 L N -1.237 119.822 121.223 -0.274 0.000 2.209 215 L HA -0.052 4.288 4.340 0.001 0.000 0.207 215 L C 1.385 177.857 176.870 -0.664 0.000 1.094 215 L CA 0.813 55.285 54.840 -0.613 0.000 0.790 215 L CB -0.054 41.274 42.059 -1.218 0.000 0.932 215 L HN 0.083 nan 8.230 nan 0.000 0.447 216 Y N -2.529 117.806 120.300 0.058 0.000 2.499 216 Y HA 0.262 4.813 4.550 0.001 0.000 0.253 216 Y C 0.453 176.430 175.900 0.128 0.000 1.105 216 Y CA -1.025 57.131 58.100 0.092 0.000 1.240 216 Y CB 0.600 39.156 38.460 0.160 0.000 1.289 216 Y HN -0.199 nan 8.280 nan 0.000 0.534 217 L N 2.466 123.818 121.223 0.216 0.000 4.035 217 L HA -0.196 4.145 4.340 0.001 0.000 0.490 217 L C -2.695 174.361 176.870 0.310 0.000 1.163 217 L CA -0.611 54.357 54.840 0.212 0.000 0.680 217 L CB -1.184 40.891 42.059 0.027 0.000 1.409 217 L HN -0.025 nan 8.230 nan 0.000 0.786 218 P HA 0.057 nan 4.420 nan 0.000 0.269 218 P C 0.511 178.173 177.300 0.603 0.000 1.217 218 P CA 0.040 63.419 63.100 0.466 0.000 0.783 218 P CB 0.483 32.375 31.700 0.321 0.000 0.898 219 D N -0.323 120.387 120.400 0.516 0.000 2.323 219 D HA 0.046 4.687 4.640 0.001 0.000 0.209 219 D C 0.112 176.810 176.300 0.664 0.000 0.973 219 D CA 1.056 55.413 54.000 0.596 0.000 0.874 219 D CB 0.331 41.280 40.800 0.249 0.000 0.930 219 D HN 0.080 nan 8.370 nan 0.000 0.521 220 V N 1.311 121.539 119.914 0.522 0.000 2.777 220 V HA 0.251 4.372 4.120 0.001 0.000 0.306 220 V C -0.555 175.744 176.094 0.341 0.000 1.112 220 V CA -0.745 61.837 62.300 0.471 0.000 0.917 220 V CB 2.852 34.979 31.823 0.507 0.000 1.018 220 V HN -0.109 nan 8.190 nan 0.000 0.426 221 L N 3.433 124.806 121.223 0.250 0.000 2.264 221 L HA 0.422 4.762 4.340 0.001 0.000 0.287 221 L C -1.084 176.016 176.870 0.384 0.000 1.039 221 L CA -0.044 54.929 54.840 0.222 0.000 0.829 221 L CB 1.101 43.193 42.059 0.055 0.000 1.211 221 L HN 0.742 nan 8.230 nan 0.000 0.427 222 W N 4.934 126.330 121.300 0.160 0.000 2.295 222 W HA 0.275 4.935 4.660 0.001 0.000 0.333 222 W C 0.383 176.777 176.519 -0.208 0.000 0.990 222 W CA -0.291 57.108 57.345 0.090 0.000 1.453 222 W CB 0.997 30.624 29.460 0.279 0.000 1.263 222 W HN 0.443 nan 8.180 nan 0.000 0.380 223 N N 3.022 121.422 118.700 -0.501 0.000 2.493 223 N HA 0.204 4.945 4.740 0.001 0.000 0.275 223 N C -1.139 174.082 175.510 -0.481 0.000 1.186 223 N CA 0.260 52.876 53.050 -0.724 0.000 0.978 223 N CB 1.016 38.477 38.487 -1.710 0.000 1.184 223 N HN 0.287 nan 8.380 nan 0.000 0.487 224 D N 1.293 121.503 120.400 -0.318 0.000 2.645 224 D HA 0.373 5.014 4.640 0.001 0.000 0.228 224 D C -0.255 176.026 176.300 -0.032 0.000 1.148 224 D CA -0.165 53.798 54.000 -0.062 0.000 0.860 224 D CB 0.880 41.794 40.800 0.191 0.000 1.548 224 D HN 0.503 nan 8.370 nan 0.000 0.460 225 M N 0.951 120.580 119.600 0.048 0.000 2.818 225 M HA -0.121 4.360 4.480 0.001 0.000 0.204 225 M C 0.536 176.838 176.300 0.003 0.000 0.552 225 M CA 1.202 56.520 55.300 0.031 0.000 0.687 225 M CB -2.346 30.230 32.600 -0.040 0.000 2.512 225 M HN 0.888 nan 8.290 nan 0.000 0.563 226 G N -0.428 108.373 108.800 0.003 0.000 2.828 226 G HA2 -0.199 3.762 3.960 0.001 0.000 0.463 226 G HA3 -0.199 3.762 3.960 0.001 0.000 0.463 226 G C -0.783 174.232 174.900 0.191 0.000 1.394 226 G CA -0.108 45.039 45.100 0.077 0.000 0.862 226 G HN 0.684 nan 8.290 nan 0.000 0.540 227 W N 0.673 122.003 121.300 0.051 0.000 2.666 227 W HA 0.552 5.212 4.660 0.001 0.000 0.334 227 W C -2.193 174.387 176.519 0.102 0.000 1.051 227 W CA -1.960 55.452 57.345 0.112 0.000 1.224 227 W CB 1.950 31.541 29.460 0.218 0.000 1.405 227 W HN 0.514 nan 8.180 nan 0.000 0.513 228 P HA -0.150 nan 4.420 nan 0.000 0.259 228 P C 0.604 177.931 177.300 0.045 0.000 1.163 228 P CA 0.937 63.948 63.100 -0.148 0.000 0.760 228 P CB 0.605 32.123 31.700 -0.303 0.000 0.762 229 E N 3.683 123.912 120.200 0.047 0.000 2.097 229 E HA -0.239 4.111 4.350 0.001 0.000 0.196 229 E C 1.246 177.902 176.600 0.092 0.000 1.000 229 E CA 1.747 58.198 56.400 0.084 0.000 0.804 229 E CB -0.217 29.506 29.700 0.039 0.000 0.740 229 E HN 0.367 nan 8.360 nan 0.000 0.454 230 K N -1.475 118.936 120.400 0.018 0.000 2.283 230 K HA -0.014 4.307 4.320 0.001 0.000 0.202 230 K C 1.719 178.391 176.600 0.120 0.000 1.048 230 K CA 0.983 57.284 56.287 0.023 0.000 0.948 230 K CB 0.033 32.429 32.500 -0.173 0.000 0.742 230 K HN 0.194 nan 8.250 nan 0.000 0.458 231 G N 0.460 109.368 108.800 0.181 0.000 3.126 231 G HA2 -0.044 3.916 3.960 0.001 0.000 0.224 231 G HA3 -0.044 3.916 3.960 0.001 0.000 0.224 231 G C 0.916 176.106 174.900 0.483 0.000 1.142 231 G CA -0.252 45.054 45.100 0.342 0.000 0.759 231 G HN 0.093 nan 8.290 nan 0.000 0.550 232 K N 0.608 121.259 120.400 0.420 0.000 2.074 232 K HA -0.102 4.219 4.320 0.001 0.000 0.209 232 K C 2.129 178.860 176.600 0.219 0.000 1.048 232 K CA 1.156 57.634 56.287 0.319 0.000 0.926 232 K CB 0.038 32.696 32.500 0.262 0.000 0.713 232 K HN 0.118 nan 8.250 nan 0.000 0.444 233 E N 1.003 121.321 120.200 0.197 0.000 2.204 233 E HA -0.166 4.185 4.350 0.001 0.000 0.195 233 E C 1.457 178.103 176.600 0.075 0.000 0.990 233 E CA 1.009 57.495 56.400 0.143 0.000 0.821 233 E CB -0.135 29.647 29.700 0.136 0.000 0.750 233 E HN 0.292 nan 8.360 nan 0.000 0.477 234 D N 0.616 121.067 120.400 0.085 0.000 2.178 234 D HA -0.130 4.510 4.640 0.001 0.000 0.201 234 D C 2.047 178.309 176.300 -0.062 0.000 0.980 234 D CA 0.517 54.549 54.000 0.052 0.000 0.842 234 D CB -0.260 40.532 40.800 -0.013 0.000 0.948 234 D HN 0.219 nan 8.370 nan 0.000 0.472 235 L N 0.458 121.492 121.223 -0.315 0.000 2.191 235 L HA -0.145 4.195 4.340 0.001 0.000 0.212 235 L C 2.235 178.574 176.870 -0.885 0.000 1.103 235 L CA 0.957 55.293 54.840 -0.840 0.000 0.769 235 L CB -0.334 41.054 42.059 -1.118 0.000 0.908 235 L HN 0.013 nan 8.230 nan 0.000 0.438 236 K N -0.302 119.624 120.400 -0.789 0.000 2.057 236 K HA -0.183 4.137 4.320 0.001 0.000 0.207 236 K C 2.072 178.224 176.600 -0.746 0.000 1.049 236 K CA 1.682 57.321 56.287 -1.080 0.000 0.931 236 K CB -0.269 31.366 32.500 -1.442 0.000 0.714 236 K HN 0.256 nan 8.250 nan 0.000 0.440 237 Y N 0.899 121.017 120.300 -0.303 0.000 2.220 237 Y HA -0.129 4.422 4.550 0.001 0.000 0.291 237 Y C 2.299 178.159 175.900 -0.066 0.000 1.129 237 Y CA 0.623 58.642 58.100 -0.134 0.000 1.161 237 Y CB -0.347 38.058 38.460 -0.092 0.000 0.997 237 Y HN -0.015 nan 8.280 nan 0.000 0.522 238 L N -0.778 120.443 121.223 -0.004 0.000 2.017 238 L HA -0.229 4.112 4.340 0.001 0.000 0.208 238 L C 2.162 179.033 176.870 0.002 0.000 1.073 238 L CA 1.573 56.376 54.840 -0.062 0.000 0.745 238 L CB -0.447 41.464 42.059 -0.246 0.000 0.894 238 L HN 0.229 nan 8.230 nan 0.000 0.432 239 F N -0.459 119.291 119.950 -0.334 0.000 2.134 239 F HA -0.260 4.268 4.527 0.001 0.000 0.299 239 F C 2.631 178.200 175.800 -0.385 0.000 1.097 239 F CA 0.387 58.072 58.000 -0.525 0.000 1.264 239 F CB -0.422 38.247 39.000 -0.552 0.000 1.001 239 F HN 0.263 nan 8.300 nan 0.000 0.479 240 A N -0.281 122.542 122.820 0.005 0.000 1.902 240 A HA -0.278 4.042 4.320 0.001 0.000 0.217 240 A C 1.882 179.570 177.584 0.173 0.000 1.181 240 A CA 1.441 53.535 52.037 0.094 0.000 0.623 240 A CB -1.427 17.605 19.000 0.054 0.000 0.818 240 A HN 0.510 nan 8.150 nan 0.000 0.443 241 Y N -1.106 119.227 120.300 0.056 0.000 2.128 241 Y HA -0.320 4.231 4.550 0.001 0.000 0.284 241 Y C 2.246 178.213 175.900 0.110 0.000 1.154 241 Y CA 2.189 60.339 58.100 0.083 0.000 1.149 241 Y CB -0.653 37.848 38.460 0.069 0.000 0.976 241 Y HN 0.476 nan 8.280 nan 0.000 0.505 242 Y N -1.075 119.255 120.300 0.051 0.000 2.163 242 Y HA -0.328 4.222 4.550 0.001 0.000 0.288 242 Y C 1.979 177.861 175.900 -0.031 0.000 1.136 242 Y CA 1.882 59.944 58.100 -0.063 0.000 1.147 242 Y CB -0.697 37.657 38.460 -0.178 0.000 0.987 242 Y HN 0.124 nan 8.280 nan 0.000 0.509 243 Y N 0.655 120.808 120.300 -0.244 0.000 2.293 243 Y HA -0.196 4.354 4.550 0.001 0.000 0.291 243 Y C 2.238 178.119 175.900 -0.031 0.000 1.137 243 Y CA 1.101 58.973 58.100 -0.380 0.000 1.202 243 Y CB -0.947 37.101 38.460 -0.686 0.000 0.990 243 Y HN 0.266 nan 8.280 nan 0.000 0.537 244 N N 0.183 119.010 118.700 0.211 0.000 2.309 244 N HA -0.111 4.630 4.740 0.001 0.000 0.182 244 N C 1.468 176.990 175.510 0.020 0.000 1.018 244 N CA 1.092 54.229 53.050 0.145 0.000 0.876 244 N CB -0.139 38.412 38.487 0.107 0.000 0.972 244 N HN 0.389 nan 8.380 nan 0.000 0.434 245 K N -1.025 119.340 120.400 -0.059 0.000 2.262 245 K HA 0.009 4.329 4.320 0.001 0.000 0.200 245 K C 0.032 176.652 176.600 0.033 0.000 1.049 245 K CA 0.459 56.705 56.287 -0.068 0.000 0.979 245 K CB 0.276 32.682 32.500 -0.157 0.000 0.773 245 K HN 0.101 nan 8.250 nan 0.000 0.474 246 H N -0.293 118.691 119.070 -0.143 0.000 2.699 246 H HA 0.215 4.772 4.556 0.001 0.000 0.256 246 H C -2.657 172.615 175.328 -0.094 0.000 1.376 246 H CA -2.452 53.516 56.048 -0.133 0.000 1.549 246 H CB 1.035 30.674 29.762 -0.205 0.000 1.686 246 H HN -0.151 nan 8.280 nan 0.000 0.550 247 P HA -0.127 nan 4.420 nan 0.000 0.219 247 P C 0.714 178.022 177.300 0.013 0.000 1.146 247 P CA 1.143 64.301 63.100 0.096 0.000 0.808 247 P CB 0.468 32.268 31.700 0.166 0.000 0.779 248 E N -0.455 119.683 120.200 -0.103 0.000 2.476 248 E HA 0.121 4.471 4.350 0.001 0.000 0.191 248 E C 1.266 177.799 176.600 -0.110 0.000 1.064 248 E CA 0.046 56.447 56.400 0.001 0.000 0.866 248 E CB -0.214 29.606 29.700 0.200 0.000 0.952 248 E HN 0.202 nan 8.360 nan 0.000 0.492 249 G N 1.582 110.019 108.800 -0.605 0.000 2.651 249 G HA2 0.269 4.229 3.960 0.001 0.000 0.260 249 G HA3 0.269 4.229 3.960 0.001 0.000 0.260 249 G C -0.030 175.031 174.900 0.267 0.000 1.216 249 G CA 0.022 44.959 45.100 -0.271 0.000 0.913 249 G HN 0.178 nan 8.290 nan 0.000 0.535 250 S N -2.277 113.715 115.700 0.487 0.000 2.565 250 S HA 0.650 5.120 4.470 0.001 0.000 0.269 250 S C -0.855 173.906 174.600 0.269 0.000 1.153 250 S CA -0.191 58.231 58.200 0.371 0.000 0.835 250 S CB 1.526 64.799 63.200 0.121 0.000 1.122 250 S HN 1.891 nan 8.310 nan 0.000 0.462 251 V N 0.368 120.294 119.914 0.021 0.000 2.823 251 V HA 0.791 4.911 4.120 0.001 0.000 0.312 251 V C -0.132 175.689 176.094 -0.455 0.000 1.072 251 V CA -0.894 61.317 62.300 -0.149 0.000 0.937 251 V CB 1.456 32.893 31.823 -0.644 0.000 1.013 251 V HN 1.178 nan 8.190 nan 0.000 0.430 252 N N 2.484 120.869 118.700 -0.524 0.000 2.385 252 N HA 0.240 4.980 4.740 0.001 0.000 0.291 252 N C 0.120 175.382 175.510 -0.413 0.000 1.298 252 N CA 0.348 52.693 53.050 -1.175 0.000 0.955 252 N CB 0.068 37.752 38.487 -1.339 0.000 1.096 252 N HN 0.897 nan 8.380 nan 0.000 0.543 253 D N -2.593 117.514 120.400 -0.490 0.000 2.593 253 D HA 0.129 4.769 4.640 0.001 0.000 0.241 253 D C -0.045 176.116 176.300 -0.232 0.000 1.257 253 D CA -0.224 53.618 54.000 -0.263 0.000 0.828 253 D CB -0.264 40.154 40.800 -0.636 0.000 1.049 253 D HN 0.471 nan 8.370 nan 0.000 0.490 254 R N -0.009 120.255 120.500 -0.394 0.000 2.586 254 R HA 0.218 4.559 4.340 0.001 0.000 0.306 254 R C -0.010 176.104 176.300 -0.310 0.000 1.079 254 R CA -0.212 55.666 56.100 -0.370 0.000 1.083 254 R CB -0.078 29.939 30.300 -0.471 0.000 1.306 254 R HN 0.186 nan 8.270 nan 0.000 0.567 255 W N -0.360 120.934 121.300 -0.010 0.000 2.996 255 W HA 0.259 4.920 4.660 0.001 0.000 0.270 255 W C 1.383 177.955 176.519 0.087 0.000 1.280 255 W CA 0.404 57.801 57.345 0.087 0.000 1.549 255 W CB 0.337 29.837 29.460 0.066 0.000 1.079 255 W HN 0.258 nan 8.180 nan 0.000 0.629 256 G N 1.137 110.070 108.800 0.221 0.000 2.176 256 G HA2 -0.161 3.799 3.960 0.001 0.000 0.252 256 G HA3 -0.161 3.799 3.960 0.001 0.000 0.252 256 G C -0.070 174.867 174.900 0.061 0.000 1.024 256 G CA 0.277 45.450 45.100 0.121 0.000 0.755 256 G HN 0.517 nan 8.290 nan 0.000 0.507 257 V N -4.553 115.369 119.914 0.013 0.000 3.158 257 V HA 0.893 5.014 4.120 0.001 0.000 0.315 257 V C -0.684 175.183 176.094 -0.377 0.000 1.148 257 V CA -1.282 60.842 62.300 -0.293 0.000 1.042 257 V CB 1.266 32.781 31.823 -0.513 0.000 1.101 257 V HN -0.059 nan 8.190 nan 0.000 0.448 258 P HA -0.053 nan 4.420 nan 0.000 0.218 258 P C 0.136 177.280 177.300 -0.259 0.000 1.148 258 P CA 1.492 64.291 63.100 -0.502 0.000 0.822 258 P CB -0.164 31.091 31.700 -0.741 0.000 0.784 259 H N -0.305 118.570 119.070 -0.325 0.000 2.481 259 H HA 0.394 4.951 4.556 0.001 0.000 0.339 259 H C -0.585 174.707 175.328 -0.060 0.000 1.131 259 H CA -0.506 55.450 56.048 -0.153 0.000 1.301 259 H CB 0.406 30.258 29.762 0.149 0.000 1.476 259 H HN 0.049 nan 8.280 nan 0.000 0.529 260 W N 3.810 124.505 121.300 -1.009 0.000 3.319 260 W HA 0.214 4.874 4.660 0.001 0.000 0.300 260 W C -1.301 174.813 176.519 -0.674 0.000 1.244 260 W CA -0.610 56.312 57.345 -0.706 0.000 1.193 260 W CB 0.652 29.873 29.460 -0.398 0.000 1.359 260 W HN 0.446 nan 8.180 nan 0.000 0.568 261 D N 1.155 121.453 120.400 -0.170 0.000 2.380 261 D HA 0.121 4.762 4.640 0.001 0.000 0.212 261 D C 0.117 176.630 176.300 0.354 0.000 1.021 261 D CA 1.202 55.192 54.000 -0.017 0.000 0.884 261 D CB 0.853 41.692 40.800 0.066 0.000 1.001 261 D HN 0.243 nan 8.370 nan 0.000 0.506 262 F N -0.654 119.485 119.950 0.316 0.000 2.641 262 F HA 0.532 5.059 4.527 0.001 0.000 0.308 262 F C -0.476 175.366 175.800 0.070 0.000 1.105 262 F CA -1.341 56.830 58.000 0.285 0.000 0.964 262 F CB 1.276 40.332 39.000 0.094 0.000 1.294 262 F HN -0.510 nan 8.300 nan 0.000 0.442 263 K N 0.606 121.065 120.400 0.098 0.000 2.240 263 K HA 0.781 5.101 4.320 0.001 0.000 0.237 263 K C -0.562 176.176 176.600 0.230 0.000 1.027 263 K CA -0.694 55.463 56.287 -0.217 0.000 0.937 263 K CB 1.757 33.962 32.500 -0.492 0.000 1.171 263 K HN 0.905 nan 8.250 nan 0.000 0.479 264 T N -2.670 111.959 114.554 0.125 0.000 2.883 264 T HA 0.774 5.124 4.350 0.001 0.000 0.296 264 T C -1.226 173.683 174.700 0.349 0.000 1.117 264 T CA -1.072 61.228 62.100 0.334 0.000 1.006 264 T CB 1.900 70.893 68.868 0.207 0.000 1.191 264 T HN 0.608 nan 8.240 nan 0.000 0.508 265 A N 0.821 123.952 122.820 0.519 0.000 2.520 265 A HA 0.781 5.102 4.320 0.001 0.000 0.298 265 A C -1.047 176.898 177.584 0.602 0.000 1.051 265 A CA -0.779 51.572 52.037 0.524 0.000 0.690 265 A CB 1.727 21.081 19.000 0.590 0.000 1.281 265 A HN 0.965 nan 8.150 nan 0.000 0.402 266 E N 1.677 122.196 120.200 0.530 0.000 2.216 266 E HA 0.574 4.925 4.350 0.001 0.000 0.260 266 E C -0.671 176.274 176.600 0.576 0.000 0.880 266 E CA -0.439 56.267 56.400 0.510 0.000 0.765 266 E CB 0.635 30.658 29.700 0.539 0.000 1.174 266 E HN 0.642 nan 8.360 nan 0.000 0.417 267 Y N 1.061 121.589 120.300 0.380 0.000 2.854 267 Y HA -0.499 4.051 4.550 0.001 0.000 0.466 267 Y C 1.672 177.738 175.900 0.276 0.000 1.170 267 Y CA 1.848 60.111 58.100 0.271 0.000 2.593 267 Y CB -0.986 37.564 38.460 0.149 0.000 1.203 267 Y HN 0.748 nan 8.280 nan 0.000 0.629 268 H N -0.449 118.887 119.070 0.444 0.000 2.495 268 H HA 0.093 4.649 4.556 0.001 0.000 0.287 268 H C 0.369 175.859 175.328 0.271 0.000 1.033 268 H CA 1.151 57.358 56.048 0.264 0.000 1.307 268 H CB -0.481 29.369 29.762 0.146 0.000 1.401 268 H HN 0.067 nan 8.280 nan 0.000 0.555 269 V N 3.536 123.674 119.914 0.373 0.000 2.450 269 V HA -0.077 4.043 4.120 0.001 0.000 0.281 269 V C 0.743 176.996 176.094 0.265 0.000 1.019 269 V CA 0.006 62.464 62.300 0.262 0.000 1.062 269 V CB 0.136 32.077 31.823 0.197 0.000 0.979 269 V HN 0.560 nan 8.190 nan 0.000 0.477 270 N N 2.304 121.107 118.700 0.171 0.000 2.741 270 N HA -0.250 4.490 4.740 0.001 0.000 0.251 270 N C -0.289 175.251 175.510 0.050 0.000 1.112 270 N CA 0.768 53.872 53.050 0.091 0.000 0.750 270 N CB -1.229 37.300 38.487 0.071 0.000 1.119 270 N HN 0.806 nan 8.380 nan 0.000 0.561 271 Y N 2.918 123.238 120.300 0.034 0.000 2.496 271 Y HA 0.213 4.764 4.550 0.001 0.000 0.334 271 Y C -1.416 174.357 175.900 -0.212 0.000 1.080 271 Y CA -1.154 56.905 58.100 -0.068 0.000 1.355 271 Y CB 0.650 39.105 38.460 -0.008 0.000 1.193 271 Y HN 0.066 nan 8.280 nan 0.000 0.523 272 P HA 0.162 nan 4.420 nan 0.000 0.279 272 P C 0.175 177.327 177.300 -0.248 0.000 1.239 272 P CA -0.187 62.577 63.100 -0.559 0.000 0.789 272 P CB 1.661 32.816 31.700 -0.908 0.000 0.933 273 G N 0.749 109.483 108.800 -0.110 0.000 2.838 273 G HA2 0.030 3.991 3.960 0.001 0.000 0.210 273 G HA3 0.030 3.991 3.960 0.001 0.000 0.210 273 G C 0.224 175.102 174.900 -0.037 0.000 1.153 273 G CA 0.315 45.407 45.100 -0.014 0.000 0.778 273 G HN 0.601 nan 8.290 nan 0.000 0.539 274 D N -1.535 118.806 120.400 -0.097 0.000 2.759 274 D HA 0.277 4.917 4.640 0.001 0.000 0.321 274 D C -0.349 175.880 176.300 -0.119 0.000 1.267 274 D CA -0.816 53.142 54.000 -0.069 0.000 0.933 274 D CB 0.464 41.231 40.800 -0.056 0.000 1.431 274 D HN -0.125 nan 8.370 nan 0.000 0.504 275 L N 1.751 122.929 121.223 -0.075 0.000 2.601 275 L HA 0.122 4.463 4.340 0.001 0.000 0.277 275 L C -1.258 175.492 176.870 -0.199 0.000 1.219 275 L CA -0.636 54.150 54.840 -0.090 0.000 0.915 275 L CB 0.093 42.125 42.059 -0.045 0.000 1.160 275 L HN 0.395 nan 8.230 nan 0.000 0.494 276 P HA 0.062 nan 4.420 nan 0.000 0.226 276 P C 1.001 178.009 177.300 -0.487 0.000 1.161 276 P CA 0.876 63.623 63.100 -0.587 0.000 0.804 276 P CB 0.468 31.457 31.700 -1.185 0.000 0.829 277 G N -1.995 106.614 108.800 -0.318 0.000 2.179 277 G HA2 -0.170 3.790 3.960 0.001 0.000 0.220 277 G HA3 -0.170 3.790 3.960 0.001 0.000 0.220 277 G C -0.151 174.794 174.900 0.075 0.000 0.990 277 G CA 0.026 45.079 45.100 -0.079 0.000 0.646 277 G HN 0.464 nan 8.290 nan 0.000 0.517 278 Y N -1.669 118.735 120.300 0.173 0.000 2.597 278 Y HA 0.837 5.387 4.550 0.001 0.000 0.340 278 Y C -0.218 175.899 175.900 0.361 0.000 1.097 278 Y CA -2.065 56.198 58.100 0.271 0.000 1.037 278 Y CB 0.591 39.273 38.460 0.370 0.000 1.305 278 Y HN 0.131 nan 8.280 nan 0.000 0.463 279 K N 2.946 123.700 120.400 0.590 0.000 2.326 279 K HA 0.357 4.678 4.320 0.001 0.000 0.275 279 K C -1.019 176.033 176.600 0.754 0.000 1.018 279 K CA -0.148 56.459 56.287 0.534 0.000 0.962 279 K CB 0.334 33.083 32.500 0.415 0.000 0.953 279 K HN 0.796 nan 8.250 nan 0.000 0.475 280 W N 1.974 123.487 121.300 0.355 0.000 3.018 280 W HA 0.558 5.218 4.660 0.001 0.000 0.352 280 W C -1.473 175.249 176.519 0.337 0.000 1.230 280 W CA -0.825 56.749 57.345 0.381 0.000 1.162 280 W CB 0.610 30.237 29.460 0.279 0.000 1.483 280 W HN 0.647 nan 8.180 nan 0.000 0.584 281 E N 1.179 121.611 120.200 0.387 0.000 2.304 281 E HA 0.398 4.748 4.350 0.001 0.000 0.277 281 E C -2.240 174.597 176.600 0.395 0.000 0.898 281 E CA -0.641 55.852 56.400 0.154 0.000 0.764 281 E CB 2.653 32.562 29.700 0.349 0.000 1.216 281 E HN 0.270 nan 8.360 nan 0.000 0.419 282 F N 3.144 123.109 119.950 0.026 0.000 2.404 282 F HA 0.499 5.027 4.527 0.001 0.000 0.345 282 F C -0.403 175.535 175.800 0.230 0.000 1.110 282 F CA -0.034 58.116 58.000 0.250 0.000 1.130 282 F CB 1.692 40.817 39.000 0.208 0.000 1.129 282 F HN 0.319 nan 8.300 nan 0.000 0.500 283 T N 6.625 120.989 114.554 -0.317 0.000 2.900 283 T HA 0.822 5.172 4.350 0.001 0.000 0.295 283 T C -1.231 173.076 174.700 -0.654 0.000 1.044 283 T CA -0.625 61.294 62.100 -0.302 0.000 0.995 283 T CB 1.078 70.089 68.868 0.240 0.000 1.072 283 T HN 0.948 nan 8.240 nan 0.000 0.473 284 R N 1.167 121.313 120.500 -0.591 0.000 2.728 284 R HA 0.656 4.996 4.340 0.001 0.000 0.274 284 R C -0.335 175.504 176.300 -0.767 0.000 1.032 284 R CA -1.295 54.215 56.100 -0.983 0.000 0.866 284 R CB 0.284 29.736 30.300 -1.413 0.000 1.263 284 R HN 0.778 nan 8.270 nan 0.000 0.475 285 G N 0.279 108.521 108.800 -0.931 0.000 2.504 285 G HA2 0.389 4.349 3.960 0.001 0.000 0.288 285 G HA3 0.389 4.349 3.960 0.001 0.000 0.288 285 G C 0.646 175.370 174.900 -0.292 0.000 1.182 285 G CA -1.074 43.675 45.100 -0.586 0.000 0.894 285 G HN 0.563 nan 8.290 nan 0.000 0.521 286 I N 0.598 121.058 120.570 -0.183 0.000 2.394 286 I HA -0.033 4.137 4.170 0.001 0.000 0.251 286 I C 2.099 178.178 176.117 -0.063 0.000 1.136 286 I CA 1.315 62.552 61.300 -0.104 0.000 1.425 286 I CB -0.154 37.807 38.000 -0.065 0.000 1.079 286 I HN 0.551 nan 8.210 nan 0.000 0.425 287 G N -0.106 108.659 108.800 -0.059 0.000 3.271 287 G HA2 0.377 4.338 3.960 0.001 0.000 0.174 287 G HA3 0.377 4.338 3.960 0.001 0.000 0.174 287 G C 0.540 175.461 174.900 0.035 0.000 1.385 287 G CA -0.421 44.678 45.100 -0.002 0.000 0.979 287 G HN 0.091 nan 8.290 nan 0.000 0.610 288 L N 0.112 121.327 121.223 -0.012 0.000 2.640 288 L HA 0.313 4.654 4.340 0.001 0.000 0.230 288 L C 1.136 177.964 176.870 -0.071 0.000 1.123 288 L CA 0.152 54.964 54.840 -0.046 0.000 0.900 288 L CB 0.642 42.628 42.059 -0.122 0.000 1.146 288 L HN 0.330 nan 8.230 nan 0.000 0.484 289 S N -1.673 113.946 115.700 -0.135 0.000 2.715 289 S HA 0.531 5.002 4.470 0.001 0.000 0.307 289 S C 0.192 174.556 174.600 -0.395 0.000 1.119 289 S CA -0.509 57.597 58.200 -0.156 0.000 0.937 289 S CB 1.295 64.436 63.200 -0.098 0.000 1.150 289 S HN 0.055 nan 8.310 nan 0.000 0.521 290 F N 0.997 120.692 119.950 -0.425 0.000 2.490 290 F HA 0.372 4.899 4.527 0.001 0.000 0.280 290 F C 1.769 177.414 175.800 -0.259 0.000 1.030 290 F CA 0.347 58.019 58.000 -0.547 0.000 1.367 290 F CB -0.573 37.695 39.000 -1.221 0.000 1.131 290 F HN 0.670 nan 8.300 nan 0.000 0.632 291 G N -0.945 107.879 108.800 0.040 0.000 2.539 291 G HA2 0.115 4.075 3.960 0.001 0.000 0.258 291 G HA3 0.115 4.075 3.960 0.001 0.000 0.258 291 G C -1.198 173.823 174.900 0.201 0.000 1.202 291 G CA -0.324 44.912 45.100 0.227 0.000 0.851 291 G HN 0.111 nan 8.290 nan 0.000 0.556 292 Y N 1.381 121.760 120.300 0.131 0.000 2.811 292 Y HA 0.078 4.629 4.550 0.001 0.000 0.334 292 Y C 0.106 176.037 175.900 0.051 0.000 1.247 292 Y CA -0.138 58.005 58.100 0.071 0.000 1.526 292 Y CB 0.497 39.011 38.460 0.090 0.000 1.284 292 Y HN 0.463 nan 8.280 nan 0.000 0.586 293 N N 5.441 123.829 118.700 -0.520 0.000 2.540 293 N HA 0.177 4.918 4.740 0.001 0.000 0.275 293 N C 0.369 175.414 175.510 -0.775 0.000 1.053 293 N CA -0.770 51.916 53.050 -0.606 0.000 0.876 293 N CB 0.756 39.027 38.487 -0.360 0.000 1.284 293 N HN 0.786 nan 8.380 nan 0.000 0.518 294 R N 2.289 122.248 120.500 -0.902 0.000 2.328 294 R HA 0.030 4.370 4.340 0.001 0.000 0.207 294 R C -0.273 175.914 176.300 -0.188 0.000 1.056 294 R CA 0.679 56.534 56.100 -0.409 0.000 1.016 294 R CB -0.089 30.139 30.300 -0.120 0.000 0.872 294 R HN 0.294 nan 8.270 nan 0.000 0.471 295 N N 1.194 119.706 118.700 -0.313 0.000 2.463 295 N HA 0.004 4.744 4.740 0.001 0.000 0.181 295 N C -0.351 175.042 175.510 -0.196 0.000 1.078 295 N CA 0.420 53.300 53.050 -0.282 0.000 0.902 295 N CB 0.254 38.408 38.487 -0.555 0.000 0.970 295 N HN 0.458 nan 8.380 nan 0.000 0.451 296 E N -0.168 119.932 120.200 -0.167 0.000 2.301 296 E HA 0.444 4.794 4.350 0.001 0.000 0.275 296 E C 0.374 177.071 176.600 0.161 0.000 1.030 296 E CA -0.424 55.980 56.400 0.007 0.000 0.852 296 E CB 1.310 30.982 29.700 -0.047 0.000 1.060 296 E HN 0.117 nan 8.360 nan 0.000 0.401 297 G N 1.788 110.787 108.800 0.331 0.000 2.932 297 G HA2 0.271 4.231 3.960 0.001 0.000 0.283 297 G HA3 0.271 4.231 3.960 0.001 0.000 0.283 297 G C -1.910 172.998 174.900 0.014 0.000 1.336 297 G CA -1.145 44.009 45.100 0.090 0.000 1.056 297 G HN 0.289 nan 8.290 nan 0.000 0.522 298 P HA -0.075 nan 4.420 nan 0.000 0.221 298 P C 0.773 178.009 177.300 -0.106 0.000 1.145 298 P CA 1.055 64.127 63.100 -0.046 0.000 0.795 298 P CB 0.277 31.955 31.700 -0.038 0.000 0.775 299 E N -0.990 119.073 120.200 -0.229 0.000 2.338 299 E HA -0.156 4.195 4.350 0.001 0.000 0.197 299 E C 1.622 178.000 176.600 -0.369 0.000 1.007 299 E CA 1.000 57.198 56.400 -0.335 0.000 0.849 299 E CB -0.908 28.495 29.700 -0.495 0.000 0.774 299 E HN 0.538 nan 8.360 nan 0.000 0.506 300 H N -0.910 118.139 119.070 -0.035 0.000 2.648 300 H HA 0.293 4.849 4.556 0.001 0.000 0.265 300 H C 0.543 175.854 175.328 -0.028 0.000 0.961 300 H CA 0.210 56.235 56.048 -0.038 0.000 1.185 300 H CB 0.225 29.949 29.762 -0.063 0.000 1.449 300 H HN 0.181 nan 8.280 nan 0.000 0.523 301 M N 0.966 120.597 119.600 0.052 0.000 2.471 301 M HA 0.298 4.779 4.480 0.001 0.000 0.309 301 M C 0.017 176.311 176.300 -0.010 0.000 1.186 301 M CA -0.656 54.656 55.300 0.019 0.000 1.008 301 M CB 1.980 34.582 32.600 0.003 0.000 1.551 301 M HN -0.127 nan 8.290 nan 0.000 0.477 302 L N 1.164 122.371 121.223 -0.027 0.000 2.395 302 L HA 0.269 4.610 4.340 0.001 0.000 0.269 302 L C 0.599 177.425 176.870 -0.073 0.000 1.133 302 L CA -0.392 54.416 54.840 -0.053 0.000 0.812 302 L CB 1.307 43.324 42.059 -0.071 0.000 1.125 302 L HN 0.852 nan 8.230 nan 0.000 0.452 303 S N 0.877 116.519 115.700 -0.097 0.000 2.672 303 S HA 0.250 4.720 4.470 0.001 0.000 0.276 303 S C 1.114 175.619 174.600 -0.158 0.000 1.207 303 S CA -0.990 57.145 58.200 -0.109 0.000 1.002 303 S CB 1.682 64.817 63.200 -0.107 0.000 0.998 303 S HN 0.326 nan 8.310 nan 0.000 0.542 304 V N 1.589 121.417 119.914 -0.143 0.000 2.317 304 V HA -0.226 3.894 4.120 0.001 0.000 0.251 304 V C 2.586 178.491 176.094 -0.315 0.000 1.065 304 V CA 2.507 64.699 62.300 -0.179 0.000 1.049 304 V CB -1.414 30.342 31.823 -0.112 0.000 0.651 304 V HN 0.883 nan 8.190 nan 0.000 0.450 305 E N -0.038 119.947 120.200 -0.358 0.000 2.058 305 E HA -0.241 4.109 4.350 0.001 0.000 0.194 305 E C 2.300 178.334 176.600 -0.943 0.000 0.997 305 E CA 1.433 57.442 56.400 -0.651 0.000 0.801 305 E CB -0.353 29.039 29.700 -0.513 0.000 0.746 305 E HN 0.676 nan 8.360 nan 0.000 0.450 306 Q N -0.063 119.412 119.800 -0.542 0.000 2.124 306 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 306 Q C 2.274 178.085 176.000 -0.314 0.000 0.977 306 Q CA 0.884 56.471 55.803 -0.362 0.000 0.850 306 Q CB -0.131 28.508 28.738 -0.165 0.000 0.901 306 Q HN 0.303 nan 8.270 nan 0.000 0.429 307 L N -0.134 120.901 121.223 -0.312 0.000 2.046 307 L HA -0.190 4.151 4.340 0.001 0.000 0.208 307 L C 2.330 178.965 176.870 -0.392 0.000 1.077 307 L CA 0.860 55.534 54.840 -0.278 0.000 0.747 307 L CB -0.384 41.528 42.059 -0.246 0.000 0.896 307 L HN 0.132 nan 8.230 nan 0.000 0.432 308 V N -0.748 118.824 119.914 -0.570 0.000 2.261 308 V HA -0.348 3.773 4.120 0.001 0.000 0.246 308 V C 2.159 177.911 176.094 -0.569 0.000 1.047 308 V CA 1.904 63.717 62.300 -0.813 0.000 1.015 308 V CB -0.768 30.311 31.823 -1.240 0.000 0.642 308 V HN 0.382 nan 8.190 nan 0.000 0.446 309 Y N 0.222 120.257 120.300 -0.442 0.000 2.256 309 Y HA -0.250 4.301 4.550 0.001 0.000 0.288 309 Y C 2.802 178.553 175.900 -0.248 0.000 1.155 309 Y CA 1.093 59.002 58.100 -0.319 0.000 1.203 309 Y CB -0.618 37.707 38.460 -0.224 0.000 0.980 309 Y HN 0.258 nan 8.280 nan 0.000 0.530 310 T N 0.692 115.193 114.554 -0.089 0.000 2.737 310 T HA -0.183 4.168 4.350 0.001 0.000 0.265 310 T C 1.879 176.532 174.700 -0.078 0.000 1.038 310 T CA 1.203 63.264 62.100 -0.066 0.000 1.144 310 T CB -0.561 68.294 68.868 -0.021 0.000 0.866 310 T HN 0.173 nan 8.240 nan 0.000 0.434 311 L N 1.530 122.646 121.223 -0.178 0.000 2.012 311 L HA -0.082 4.258 4.340 0.001 0.000 0.210 311 L C 2.415 179.181 176.870 -0.173 0.000 1.073 311 L CA 1.632 56.345 54.840 -0.211 0.000 0.748 311 L CB -0.761 41.077 42.059 -0.368 0.000 0.891 311 L HN 0.084 nan 8.230 nan 0.000 0.431 312 V N -0.231 119.561 119.914 -0.203 0.000 2.343 312 V HA -0.304 3.816 4.120 0.001 0.000 0.247 312 V C 2.332 178.382 176.094 -0.072 0.000 1.051 312 V CA 1.966 64.183 62.300 -0.138 0.000 1.036 312 V CB -0.865 30.863 31.823 -0.158 0.000 0.654 312 V HN 0.557 nan 8.190 nan 0.000 0.451 313 D N 0.051 120.421 120.400 -0.050 0.000 2.097 313 D HA -0.159 4.482 4.640 0.001 0.000 0.195 313 D C 2.061 178.409 176.300 0.080 0.000 0.989 313 D CA 1.513 55.524 54.000 0.018 0.000 0.827 313 D CB -0.123 40.702 40.800 0.042 0.000 0.966 313 D HN 0.173 nan 8.370 nan 0.000 0.456 314 V N -0.193 119.754 119.914 0.056 0.000 2.287 314 V HA -0.236 3.885 4.120 0.001 0.000 0.248 314 V C 2.569 178.620 176.094 -0.072 0.000 1.053 314 V CA 1.477 63.778 62.300 0.001 0.000 1.027 314 V CB -0.409 31.354 31.823 -0.099 0.000 0.646 314 V HN 0.176 nan 8.190 nan 0.000 0.447 315 V N 0.837 120.702 119.914 -0.081 0.000 2.427 315 V HA -0.190 3.930 4.120 0.001 0.000 0.248 315 V C 2.612 178.715 176.094 0.014 0.000 1.051 315 V CA 2.053 64.308 62.300 -0.074 0.000 1.048 315 V CB -0.669 31.101 31.823 -0.088 0.000 0.666 315 V HN 0.780 nan 8.190 nan 0.000 0.456 316 S N -0.175 115.554 115.700 0.048 0.000 2.474 316 S HA -0.135 4.335 4.470 0.001 0.000 0.235 316 S C 1.611 176.300 174.600 0.149 0.000 0.997 316 S CA 0.947 59.213 58.200 0.109 0.000 0.949 316 S CB -0.356 62.901 63.200 0.096 0.000 0.766 316 S HN 0.642 nan 8.310 nan 0.000 0.517 317 K N 0.646 121.149 120.400 0.172 0.000 2.410 317 K HA 0.321 4.642 4.320 0.001 0.000 0.200 317 K C 1.064 177.892 176.600 0.380 0.000 1.023 317 K CA 0.301 56.743 56.287 0.259 0.000 1.149 317 K CB 0.074 32.778 32.500 0.340 0.000 0.859 317 K HN 0.506 nan 8.250 nan 0.000 0.514 318 G N 0.901 109.818 108.800 0.195 0.000 2.159 318 G HA2 -0.249 3.712 3.960 0.001 0.000 0.256 318 G HA3 -0.249 3.712 3.960 0.001 0.000 0.256 318 G C 0.365 175.198 174.900 -0.112 0.000 0.977 318 G CA -0.024 45.154 45.100 0.130 0.000 0.652 318 G HN 0.503 nan 8.290 nan 0.000 0.531 319 G N -0.853 107.675 108.800 -0.453 0.000 2.511 319 G HA2 0.582 4.543 3.960 0.001 0.000 0.316 319 G HA3 0.582 4.543 3.960 0.001 0.000 0.316 319 G C -0.473 174.057 174.900 -0.617 0.000 1.210 319 G CA -0.501 43.891 45.100 -1.181 0.000 0.969 319 G HN 0.266 nan 8.290 nan 0.000 0.492 320 N N -1.361 116.997 118.700 -0.570 0.000 2.319 320 N HA 0.517 5.258 4.740 0.001 0.000 0.305 320 N C -1.146 174.244 175.510 -0.200 0.000 1.103 320 N CA -0.601 52.256 53.050 -0.322 0.000 0.815 320 N CB 2.149 40.396 38.487 -0.400 0.000 1.288 320 N HN 0.375 nan 8.380 nan 0.000 0.493 321 L N 1.847 123.042 121.223 -0.047 0.000 2.282 321 L HA 0.592 4.932 4.340 0.001 0.000 0.288 321 L C -1.345 175.570 176.870 0.075 0.000 1.033 321 L CA -0.641 54.241 54.840 0.070 0.000 0.807 321 L CB 0.902 43.011 42.059 0.084 0.000 1.209 321 L HN 0.424 nan 8.230 nan 0.000 0.423 322 L N 6.299 127.522 121.223 0.000 0.000 2.356 322 L HA 0.493 4.834 4.340 0.001 0.000 0.264 322 L C -1.234 175.582 176.870 -0.090 0.000 1.029 322 L CA -0.356 54.400 54.840 -0.141 0.000 0.897 322 L CB 0.981 42.899 42.059 -0.235 0.000 1.256 322 L HN 0.696 nan 8.230 nan 0.000 0.444 323 L N 4.357 125.572 121.223 -0.013 0.000 2.290 323 L HA 0.432 4.772 4.340 0.001 0.000 0.284 323 L C -0.002 176.862 176.870 -0.009 0.000 1.078 323 L CA 0.260 55.104 54.840 0.007 0.000 0.815 323 L CB 0.871 43.025 42.059 0.158 0.000 1.162 323 L HN 0.741 nan 8.230 nan 0.000 0.435 324 N N 3.233 121.933 118.700 -0.001 0.000 2.499 324 N HA 0.454 5.195 4.740 0.001 0.000 0.281 324 N C -1.344 174.121 175.510 -0.075 0.000 1.098 324 N CA -0.391 52.678 53.050 0.031 0.000 0.979 324 N CB 1.146 39.661 38.487 0.047 0.000 1.121 324 N HN 0.432 nan 8.380 nan 0.000 0.466 325 V N 1.763 121.627 119.914 -0.084 0.000 2.495 325 V HA 0.621 4.742 4.120 0.001 0.000 0.298 325 V C 0.455 176.499 176.094 -0.083 0.000 1.031 325 V CA -0.745 61.487 62.300 -0.113 0.000 0.871 325 V CB 1.623 33.336 31.823 -0.183 0.000 0.988 325 V HN 0.847 nan 8.190 nan 0.000 0.432 326 G N 5.930 114.706 108.800 -0.040 0.000 3.102 326 G HA2 0.589 4.550 3.960 0.001 0.000 0.345 326 G HA3 0.589 4.550 3.960 0.001 0.000 0.345 326 G C -2.846 172.062 174.900 0.014 0.000 1.200 326 G CA -1.276 43.861 45.100 0.061 0.000 1.163 326 G HN 0.494 nan 8.290 nan 0.000 0.465 327 P HA 0.179 nan 4.420 nan 0.000 0.272 327 P C 0.190 177.469 177.300 -0.035 0.000 1.240 327 P CA -0.225 62.751 63.100 -0.207 0.000 0.791 327 P CB 1.136 32.515 31.700 -0.536 0.000 0.978 328 K N 0.110 120.452 120.400 -0.096 0.000 2.098 328 K HA 0.315 4.635 4.320 0.001 0.000 0.244 328 K C 1.879 178.704 176.600 0.375 0.000 1.014 328 K CA -0.260 55.995 56.287 -0.054 0.000 0.917 328 K CB -0.005 32.377 32.500 -0.197 0.000 1.072 328 K HN 0.487 nan 8.250 nan 0.000 0.477 329 G N 1.218 110.201 108.800 0.304 0.000 2.450 329 G HA2 -0.276 3.684 3.960 0.001 0.000 0.220 329 G HA3 -0.276 3.684 3.960 0.001 0.000 0.220 329 G C 0.875 176.055 174.900 0.467 0.000 1.130 329 G CA 1.333 46.668 45.100 0.391 0.000 0.760 329 G HN 0.829 nan 8.290 nan 0.000 0.557 330 D N -0.903 119.692 120.400 0.324 0.000 2.349 330 D HA 0.236 4.877 4.640 0.001 0.000 0.224 330 D C 1.692 178.200 176.300 0.347 0.000 1.029 330 D CA 0.691 54.852 54.000 0.268 0.000 0.879 330 D CB -0.511 40.395 40.800 0.176 0.000 0.906 330 D HN 0.522 nan 8.370 nan 0.000 0.528 331 G N -0.112 108.986 108.800 0.497 0.000 2.157 331 G HA2 -0.247 3.713 3.960 0.001 0.000 0.248 331 G HA3 -0.247 3.713 3.960 0.001 0.000 0.248 331 G C 0.427 175.599 174.900 0.454 0.000 0.979 331 G CA 0.458 45.851 45.100 0.489 0.000 0.650 331 G HN 0.799 nan 8.290 nan 0.000 0.529 332 T N -1.064 113.658 114.554 0.279 0.000 2.918 332 T HA 0.730 5.080 4.350 0.001 0.000 0.283 332 T C 0.335 175.075 174.700 0.068 0.000 1.001 332 T CA -0.801 61.423 62.100 0.207 0.000 1.041 332 T CB 2.205 71.135 68.868 0.104 0.000 1.028 332 T HN 0.453 nan 8.240 nan 0.000 0.511 333 I N 2.963 123.539 120.570 0.011 0.000 2.312 333 I HA 0.303 4.473 4.170 0.001 0.000 0.290 333 I C -2.173 173.888 176.117 -0.094 0.000 1.008 333 I CA -2.644 58.581 61.300 -0.124 0.000 1.226 333 I CB 1.365 39.245 38.000 -0.200 0.000 1.371 333 I HN 0.472 nan 8.210 nan 0.000 0.468 334 P HA -0.072 nan 4.420 nan 0.000 0.264 334 P C 0.200 177.487 177.300 -0.022 0.000 1.173 334 P CA 0.120 63.178 63.100 -0.071 0.000 0.761 334 P CB 0.591 32.264 31.700 -0.045 0.000 0.794 335 D N 1.736 122.136 120.400 0.000 0.000 2.133 335 D HA -0.149 4.491 4.640 0.001 0.000 0.195 335 D C 1.913 178.219 176.300 0.010 0.000 0.997 335 D CA 1.381 55.385 54.000 0.007 0.000 0.840 335 D CB -0.207 40.602 40.800 0.015 0.000 0.947 335 D HN 0.364 nan 8.370 nan 0.000 0.452 336 L N 0.542 121.778 121.223 0.022 0.000 2.042 336 L HA -0.240 4.100 4.340 0.001 0.000 0.210 336 L C 2.581 179.457 176.870 0.009 0.000 1.076 336 L CA 1.313 56.164 54.840 0.019 0.000 0.749 336 L CB -0.416 41.664 42.059 0.035 0.000 0.893 336 L HN 0.073 nan 8.230 nan 0.000 0.432 337 Q N -0.267 119.537 119.800 0.007 0.000 2.049 337 Q HA -0.222 4.119 4.340 0.001 0.000 0.198 337 Q C 2.239 178.238 176.000 -0.003 0.000 0.971 337 Q CA 1.237 57.037 55.803 -0.004 0.000 0.833 337 Q CB -0.071 28.656 28.738 -0.017 0.000 0.896 337 Q HN 0.355 nan 8.270 nan 0.000 0.434 338 K N 1.179 121.575 120.400 -0.008 0.000 2.063 338 K HA -0.216 4.104 4.320 0.001 0.000 0.208 338 K C 1.755 178.361 176.600 0.011 0.000 1.048 338 K CA 1.501 57.786 56.287 -0.002 0.000 0.928 338 K CB 0.140 32.633 32.500 -0.013 0.000 0.713 338 K HN 0.177 nan 8.250 nan 0.000 0.442 339 E N -0.225 119.979 120.200 0.008 0.000 2.072 339 E HA -0.166 4.184 4.350 0.001 0.000 0.191 339 E C 2.129 178.734 176.600 0.009 0.000 0.985 339 E CA 1.160 57.565 56.400 0.009 0.000 0.801 339 E CB 0.053 29.756 29.700 0.005 0.000 0.750 339 E HN 0.245 nan 8.360 nan 0.000 0.452 340 R N 0.426 120.927 120.500 0.001 0.000 2.092 340 R HA -0.079 4.262 4.340 0.001 0.000 0.231 340 R C 2.465 178.772 176.300 0.013 0.000 1.119 340 R CA 0.848 56.942 56.100 -0.010 0.000 0.970 340 R CB -0.315 29.970 30.300 -0.026 0.000 0.864 340 R HN 0.166 nan 8.270 nan 0.000 0.440 341 L N 0.617 121.864 121.223 0.041 0.000 2.042 341 L HA -0.219 4.121 4.340 0.001 0.000 0.210 341 L C 2.359 179.290 176.870 0.101 0.000 1.076 341 L CA 1.336 56.233 54.840 0.096 0.000 0.749 341 L CB -0.410 41.721 42.059 0.119 0.000 0.893 341 L HN 0.220 nan 8.230 nan 0.000 0.432 342 L N -0.811 120.454 121.223 0.070 0.000 2.056 342 L HA -0.126 4.215 4.340 0.001 0.000 0.207 342 L C 2.696 179.608 176.870 0.070 0.000 1.078 342 L CA 1.328 56.209 54.840 0.068 0.000 0.749 342 L CB -1.180 40.905 42.059 0.044 0.000 0.901 342 L HN 0.315 nan 8.230 nan 0.000 0.433 343 G N 0.360 109.189 108.800 0.047 0.000 2.476 343 G HA2 -0.315 3.646 3.960 0.001 0.000 0.218 343 G HA3 -0.315 3.646 3.960 0.001 0.000 0.218 343 G C 1.574 176.520 174.900 0.076 0.000 1.164 343 G CA 1.016 46.143 45.100 0.046 0.000 0.768 343 G HN 0.236 nan 8.290 nan 0.000 0.560 344 L N 1.538 122.790 121.223 0.047 0.000 2.056 344 L HA 0.182 4.522 4.340 0.001 0.000 0.207 344 L C 2.807 179.768 176.870 0.151 0.000 1.078 344 L CA 2.318 57.184 54.840 0.045 0.000 0.749 344 L CB -1.008 41.008 42.059 -0.072 0.000 0.901 344 L HN 0.163 nan 8.230 nan 0.000 0.433 345 G N -1.207 107.688 108.800 0.159 0.000 2.442 345 G HA2 -0.287 3.674 3.960 0.001 0.000 0.219 345 G HA3 -0.287 3.674 3.960 0.001 0.000 0.219 345 G C 1.472 176.470 174.900 0.164 0.000 1.141 345 G CA 0.878 46.091 45.100 0.190 0.000 0.763 345 G HN 0.504 nan 8.290 nan 0.000 0.554 346 E N -0.801 119.485 120.200 0.143 0.000 2.031 346 E HA -0.161 4.190 4.350 0.001 0.000 0.193 346 E C 1.998 178.688 176.600 0.151 0.000 0.994 346 E CA 1.066 57.538 56.400 0.119 0.000 0.800 346 E CB -0.266 29.500 29.700 0.109 0.000 0.752 346 E HN 0.628 nan 8.360 nan 0.000 0.447 347 W N 0.976 122.309 121.300 0.055 0.000 2.358 347 W HA -0.165 4.495 4.660 0.001 0.000 0.303 347 W C 1.648 178.250 176.519 0.138 0.000 1.208 347 W CA 1.275 58.694 57.345 0.124 0.000 1.274 347 W CB -0.143 29.358 29.460 0.068 0.000 1.138 347 W HN 0.017 nan 8.180 nan 0.000 0.515 348 L N 0.300 121.675 121.223 0.253 0.000 2.201 348 L HA -0.147 4.193 4.340 0.001 0.000 0.212 348 L C 2.781 179.662 176.870 0.018 0.000 1.105 348 L CA 1.249 56.143 54.840 0.089 0.000 0.775 348 L CB -0.749 41.445 42.059 0.225 0.000 0.913 348 L HN -0.035 nan 8.230 nan 0.000 0.440 349 R N 0.333 120.848 120.500 0.025 0.000 2.092 349 R HA -0.169 4.172 4.340 0.001 0.000 0.231 349 R C 2.172 178.400 176.300 -0.120 0.000 1.119 349 R CA 1.430 57.529 56.100 -0.003 0.000 0.970 349 R CB 0.111 30.415 30.300 0.006 0.000 0.864 349 R HN 0.277 nan 8.270 nan 0.000 0.440 350 K N -1.149 119.089 120.400 -0.270 0.000 2.044 350 K HA -0.086 4.235 4.320 0.001 0.000 0.204 350 K C 1.339 177.588 176.600 -0.586 0.000 1.049 350 K CA 1.281 57.268 56.287 -0.501 0.000 0.945 350 K CB 0.046 32.086 32.500 -0.766 0.000 0.724 350 K HN 0.187 nan 8.250 nan 0.000 0.440 351 Y N -0.121 119.855 120.300 -0.541 0.000 2.458 351 Y HA 0.227 4.778 4.550 0.001 0.000 0.256 351 Y C 1.944 177.499 175.900 -0.574 0.000 1.159 351 Y CA -0.189 57.498 58.100 -0.689 0.000 1.261 351 Y CB -0.128 37.454 38.460 -1.462 0.000 1.119 351 Y HN 0.098 nan 8.280 nan 0.000 0.524 352 G N 0.401 109.075 108.800 -0.211 0.000 2.507 352 G HA2 -0.393 3.567 3.960 0.001 0.000 0.221 352 G HA3 -0.393 3.567 3.960 0.001 0.000 0.221 352 G C 1.338 176.222 174.900 -0.025 0.000 1.119 352 G CA 1.629 46.681 45.100 -0.080 0.000 0.751 352 G HN 0.412 nan 8.290 nan 0.000 0.574 353 D N 0.376 120.785 120.400 0.016 0.000 2.310 353 D HA 0.139 4.780 4.640 0.001 0.000 0.212 353 D C 2.318 178.363 176.300 -0.426 0.000 0.965 353 D CA 1.034 55.035 54.000 0.001 0.000 0.879 353 D CB -0.228 40.686 40.800 0.190 0.000 0.921 353 D HN 0.270 nan 8.370 nan 0.000 0.510 354 A N -0.524 121.817 122.820 -0.797 0.000 2.345 354 A HA 0.224 4.544 4.320 0.001 0.000 0.225 354 A C 1.360 178.525 177.584 -0.699 0.000 1.243 354 A CA -0.023 51.106 52.037 -1.513 0.000 0.875 354 A CB -0.029 18.106 19.000 -1.442 0.000 0.929 354 A HN 0.227 nan 8.150 nan 0.000 0.502 355 I N -2.365 117.947 120.570 -0.430 0.000 3.674 355 I HA 0.147 4.318 4.170 0.001 0.000 0.248 355 I C 0.215 176.227 176.117 -0.174 0.000 1.134 355 I CA -0.007 61.113 61.300 -0.300 0.000 1.519 355 I CB -1.373 36.378 38.000 -0.415 0.000 1.598 355 I HN 0.253 nan 8.210 nan 0.000 0.442 356 Y N 2.234 122.510 120.300 -0.039 0.000 2.712 356 Y HA 0.309 4.860 4.550 0.001 0.000 0.333 356 Y C 1.653 177.558 175.900 0.009 0.000 1.225 356 Y CA 0.965 59.069 58.100 0.007 0.000 1.499 356 Y CB -0.106 38.373 38.460 0.032 0.000 1.288 356 Y HN 0.538 nan 8.280 nan 0.000 0.575 357 G N 1.296 110.210 108.800 0.191 0.000 2.184 357 G HA2 -0.323 3.637 3.960 0.001 0.000 0.264 357 G HA3 -0.323 3.637 3.960 0.001 0.000 0.264 357 G C 0.220 175.190 174.900 0.116 0.000 0.975 357 G CA 0.341 45.523 45.100 0.138 0.000 0.642 357 G HN 0.930 nan 8.290 nan 0.000 0.536 358 T N -1.863 112.747 114.554 0.093 0.000 2.847 358 T HA 0.757 5.107 4.350 0.001 0.000 0.279 358 T C 0.353 175.117 174.700 0.107 0.000 0.984 358 T CA 0.388 62.557 62.100 0.115 0.000 0.988 358 T CB 2.148 71.073 68.868 0.094 0.000 1.040 358 T HN 0.473 nan 8.240 nan 0.000 0.528 359 S N -0.307 115.475 115.700 0.137 0.000 2.715 359 S HA 0.698 5.168 4.470 0.001 0.000 0.307 359 S C 0.130 174.826 174.600 0.161 0.000 1.119 359 S CA -0.717 57.561 58.200 0.129 0.000 0.937 359 S CB 1.489 64.766 63.200 0.127 0.000 1.150 359 S HN 1.017 nan 8.310 nan 0.000 0.521 360 V N -0.066 119.942 119.914 0.156 0.000 2.953 360 V HA 0.582 4.703 4.120 0.001 0.000 0.304 360 V C -0.191 176.060 176.094 0.262 0.000 1.073 360 V CA -0.476 61.939 62.300 0.192 0.000 1.064 360 V CB 0.463 32.371 31.823 0.142 0.000 1.047 360 V HN 0.887 nan 8.190 nan 0.000 0.478 361 W N 1.088 122.421 121.300 0.054 0.000 2.639 361 W HA 0.488 5.149 4.660 0.001 0.000 0.465 361 W C 1.555 178.054 176.519 -0.033 0.000 1.742 361 W CA -0.463 56.883 57.345 0.002 0.000 1.798 361 W CB 1.044 30.493 29.460 -0.018 0.000 1.950 361 W HN 0.705 nan 8.180 nan 0.000 0.713 362 E N 0.746 120.406 120.200 -0.900 0.000 2.153 362 E HA -0.140 4.210 4.350 0.001 0.000 0.194 362 E C 0.256 176.563 176.600 -0.489 0.000 0.988 362 E CA 1.232 57.174 56.400 -0.763 0.000 0.811 362 E CB -0.041 28.992 29.700 -1.112 0.000 0.746 362 E HN 0.364 nan 8.360 nan 0.000 0.466 363 R N -0.573 119.660 120.500 -0.445 0.000 2.740 363 R HA 0.365 4.706 4.340 0.001 0.000 0.273 363 R C 0.996 177.410 176.300 0.190 0.000 0.998 363 R CA -0.262 55.755 56.100 -0.139 0.000 0.900 363 R CB 0.681 30.858 30.300 -0.204 0.000 1.223 363 R HN 0.031 nan 8.270 nan 0.000 0.466 364 C N -1.518 117.917 119.300 0.225 0.000 2.551 364 C HA 0.481 4.941 4.460 0.001 0.000 0.277 364 C C 0.500 175.723 174.990 0.389 0.000 1.349 364 C CA -0.179 59.027 59.018 0.313 0.000 1.750 364 C CB -0.893 26.943 27.740 0.159 0.000 2.058 364 C HN 0.629 nan 8.230 nan 0.000 0.518 365 C N 0.820 120.338 119.300 0.363 0.000 2.994 365 C HA 0.954 5.415 4.460 0.001 0.000 0.304 365 C C 0.265 175.445 174.990 0.317 0.000 1.273 365 C CA 0.361 59.516 59.018 0.228 0.000 1.537 365 C CB 1.009 28.801 27.740 0.086 0.000 2.001 365 C HN 0.932 nan 8.230 nan 0.000 0.471 366 A N 1.211 124.088 122.820 0.095 0.000 2.467 366 A HA 0.980 5.300 4.320 0.001 0.000 0.301 366 A C -1.829 175.716 177.584 -0.066 0.000 1.126 366 A CA -0.600 51.490 52.037 0.089 0.000 0.632 366 A CB 1.356 20.512 19.000 0.259 0.000 1.331 366 A HN 1.109 nan 8.150 nan 0.000 0.482 367 K N -0.745 119.627 120.400 -0.046 0.000 2.587 367 K HA 0.643 4.963 4.320 0.001 0.000 0.276 367 K C -0.657 175.930 176.600 -0.022 0.000 0.956 367 K CA -0.047 56.197 56.287 -0.072 0.000 0.857 367 K CB 1.364 33.836 32.500 -0.047 0.000 1.431 367 K HN 1.155 nan 8.250 nan 0.000 0.420 368 T N -1.491 113.064 114.554 0.001 0.000 2.904 368 T HA 0.135 4.485 4.350 0.001 0.000 0.290 368 T C 1.026 175.754 174.700 0.047 0.000 1.018 368 T CA -0.366 61.772 62.100 0.063 0.000 1.075 368 T CB 1.325 70.270 68.868 0.129 0.000 0.986 368 T HN 0.781 nan 8.240 nan 0.000 0.523 369 E N 0.770 121.003 120.200 0.055 0.000 2.187 369 E HA -0.219 4.132 4.350 0.001 0.000 0.199 369 E C 1.345 177.964 176.600 0.032 0.000 1.004 369 E CA 1.706 58.130 56.400 0.041 0.000 0.813 369 E CB -0.020 29.707 29.700 0.044 0.000 0.736 369 E HN 0.833 nan 8.360 nan 0.000 0.468 370 D N -1.869 118.553 120.400 0.037 0.000 2.328 370 D HA 0.023 4.663 4.640 0.001 0.000 0.221 370 D C 1.001 177.311 176.300 0.017 0.000 1.072 370 D CA 0.698 54.713 54.000 0.027 0.000 0.850 370 D CB 0.698 41.516 40.800 0.030 0.000 0.922 370 D HN 0.257 nan 8.370 nan 0.000 0.516 371 G N 0.676 109.483 108.800 0.012 0.000 2.130 371 G HA2 -0.229 3.731 3.960 0.001 0.000 0.216 371 G HA3 -0.229 3.731 3.960 0.001 0.000 0.216 371 G C 0.151 175.040 174.900 -0.018 0.000 0.999 371 G CA 0.047 45.144 45.100 -0.005 0.000 0.686 371 G HN 0.348 nan 8.290 nan 0.000 0.515 372 T N 1.996 116.549 114.554 -0.002 0.000 2.743 372 T HA 0.447 4.797 4.350 0.001 0.000 0.293 372 T C 0.286 174.940 174.700 -0.077 0.000 0.945 372 T CA -0.333 61.758 62.100 -0.015 0.000 1.030 372 T CB 1.327 70.244 68.868 0.081 0.000 0.912 372 T HN 0.254 nan 8.240 nan 0.000 0.483 373 E N 2.914 123.028 120.200 -0.144 0.000 2.373 373 E HA 0.296 4.647 4.350 0.001 0.000 0.267 373 E C -0.070 176.348 176.600 -0.302 0.000 1.032 373 E CA 0.095 56.376 56.400 -0.198 0.000 0.889 373 E CB 1.086 30.667 29.700 -0.199 0.000 0.984 373 E HN 0.537 nan 8.360 nan 0.000 0.425 374 I N 2.483 122.825 120.570 -0.380 0.000 2.785 374 I HA 0.407 4.578 4.170 0.001 0.000 0.302 374 I C 0.061 175.817 176.117 -0.601 0.000 1.069 374 I CA -0.958 59.969 61.300 -0.622 0.000 1.045 374 I CB 1.673 39.147 38.000 -0.877 0.000 1.236 374 I HN 0.088 nan 8.210 nan 0.000 0.429 375 R N 3.545 123.629 120.500 -0.692 0.000 2.808 375 R HA 0.662 5.003 4.340 0.001 0.000 0.272 375 R C -1.637 174.254 176.300 -0.681 0.000 0.995 375 R CA -0.918 54.876 56.100 -0.509 0.000 0.917 375 R CB 2.007 32.169 30.300 -0.229 0.000 1.217 375 R HN 0.362 nan 8.270 nan 0.000 0.471 376 F N -0.487 119.474 119.950 0.019 0.000 2.563 376 F HA 0.635 5.162 4.527 0.001 0.000 0.316 376 F C 0.739 176.590 175.800 0.084 0.000 1.076 376 F CA -0.607 57.409 58.000 0.027 0.000 0.921 376 F CB 2.374 41.440 39.000 0.111 0.000 1.209 376 F HN 0.522 nan 8.300 nan 0.000 0.462 377 T N -0.691 114.029 114.554 0.276 0.000 2.841 377 T HA 0.782 5.133 4.350 0.001 0.000 0.296 377 T C -1.211 173.658 174.700 0.280 0.000 1.166 377 T CA -1.051 61.206 62.100 0.260 0.000 1.007 377 T CB 2.666 71.642 68.868 0.180 0.000 1.253 377 T HN 0.876 nan 8.240 nan 0.000 0.511 378 R N -0.252 120.413 120.500 0.276 0.000 2.707 378 R HA 0.655 4.996 4.340 0.001 0.000 0.272 378 R C -1.792 174.658 176.300 0.250 0.000 1.011 378 R CA -0.870 55.344 56.100 0.191 0.000 0.893 378 R CB 1.741 32.131 30.300 0.150 0.000 1.233 378 R HN 0.739 nan 8.270 nan 0.000 0.464 379 K N 3.307 123.822 120.400 0.192 0.000 2.705 379 K HA 0.288 4.609 4.320 0.001 0.000 0.238 379 K C -0.513 176.140 176.600 0.089 0.000 0.996 379 K CA -0.577 55.828 56.287 0.197 0.000 1.007 379 K CB 1.009 33.707 32.500 0.329 0.000 1.206 379 K HN 0.860 nan 8.250 nan 0.000 0.488 380 C N 1.082 120.432 119.300 0.083 0.000 0.444 380 C HA -0.346 4.115 4.460 0.001 0.000 0.029 380 C C 1.890 176.896 174.990 0.026 0.000 0.241 380 C CA 1.730 60.781 59.018 0.056 0.000 0.521 380 C CB -1.447 26.324 27.740 0.051 0.000 3.212 380 C HN 1.071 nan 8.230 nan 0.000 1.115 381 N N 1.707 120.407 118.700 -0.000 0.000 2.467 381 N HA 0.080 4.821 4.740 0.001 0.000 0.184 381 N C 0.237 175.680 175.510 -0.111 0.000 1.106 381 N CA 0.649 53.682 53.050 -0.029 0.000 0.892 381 N CB -0.196 38.283 38.487 -0.013 0.000 0.969 381 N HN 0.688 nan 8.380 nan 0.000 0.454 382 R N 0.529 120.928 120.500 -0.168 0.000 2.297 382 R HA 0.442 4.783 4.340 0.001 0.000 0.308 382 R C -0.569 175.393 176.300 -0.564 0.000 1.029 382 R CA -0.409 55.468 56.100 -0.372 0.000 0.929 382 R CB 1.285 31.330 30.300 -0.425 0.000 1.046 382 R HN 0.136 nan 8.270 nan 0.000 0.461 383 I N 3.785 123.960 120.570 -0.659 0.000 2.389 383 I HA 0.284 4.454 4.170 0.001 0.000 0.288 383 I C -0.655 175.063 176.117 -0.664 0.000 0.999 383 I CA -0.626 60.258 61.300 -0.693 0.000 1.129 383 I CB 1.085 38.577 38.000 -0.847 0.000 1.288 383 I HN 0.378 nan 8.210 nan 0.000 0.444 384 F N 5.576 125.431 119.950 -0.158 0.000 2.404 384 F HA 0.451 4.979 4.527 0.001 0.000 0.345 384 F C 0.192 175.927 175.800 -0.109 0.000 1.110 384 F CA -0.808 57.118 58.000 -0.123 0.000 1.130 384 F CB 1.286 40.197 39.000 -0.148 0.000 1.129 384 F HN 0.018 nan 8.300 nan 0.000 0.500 385 V N 5.470 125.406 119.914 0.038 0.000 2.350 385 V HA 0.387 4.507 4.120 0.001 0.000 0.285 385 V C -0.142 175.900 176.094 -0.085 0.000 1.014 385 V CA -0.616 61.621 62.300 -0.105 0.000 0.831 385 V CB 1.090 32.906 31.823 -0.013 0.000 1.000 385 V HN 0.544 nan 8.190 nan 0.000 0.433 386 I N 5.258 125.681 120.570 -0.245 0.000 2.355 386 I HA 0.469 4.640 4.170 0.001 0.000 0.288 386 I C -0.699 175.292 176.117 -0.210 0.000 0.999 386 I CA -0.325 60.900 61.300 -0.125 0.000 1.163 386 I CB 1.376 39.299 38.000 -0.128 0.000 1.316 386 I HN 0.342 nan 8.210 nan 0.000 0.454 387 F N 5.728 125.557 119.950 -0.202 0.000 2.384 387 F HA 0.356 4.883 4.527 0.001 0.000 0.338 387 F C 0.540 176.193 175.800 -0.245 0.000 1.103 387 F CA -0.668 57.209 58.000 -0.206 0.000 1.157 387 F CB 0.936 39.856 39.000 -0.134 0.000 1.167 387 F HN 0.239 nan 8.300 nan 0.000 0.529 388 L N 4.018 125.106 121.223 -0.225 0.000 2.466 388 L HA 0.555 4.896 4.340 0.001 0.000 0.248 388 L C 0.514 177.045 176.870 -0.565 0.000 1.240 388 L CA -0.253 54.206 54.840 -0.636 0.000 1.180 388 L CB -1.054 40.456 42.059 -0.915 0.000 1.413 388 L HN 0.888 nan 8.230 nan 0.000 0.406 389 G N 1.805 110.532 108.800 -0.121 0.000 2.359 389 G HA2 0.118 4.078 3.960 0.001 0.000 0.303 389 G HA3 0.118 4.078 3.960 0.001 0.000 0.303 389 G C -1.361 173.572 174.900 0.057 0.000 1.293 389 G CA -0.957 44.166 45.100 0.038 0.000 0.964 389 G HN 0.155 nan 8.290 nan 0.000 0.531 390 I N 1.426 122.020 120.570 0.040 0.000 2.439 390 I HA 0.347 4.517 4.170 0.001 0.000 0.283 390 I C -2.238 173.861 176.117 -0.029 0.000 1.023 390 I CA -1.809 59.485 61.300 -0.010 0.000 1.100 390 I CB 2.101 40.117 38.000 0.026 0.000 1.238 390 I HN 0.208 nan 8.210 nan 0.000 0.445 391 P HA 0.057 nan 4.420 nan 0.000 0.267 391 P C 0.944 178.221 177.300 -0.038 0.000 1.200 391 P CA -0.071 62.994 63.100 -0.058 0.000 0.772 391 P CB 0.646 32.277 31.700 -0.115 0.000 0.855 392 T N -0.729 113.816 114.554 -0.015 0.000 2.770 392 T HA 0.063 4.414 4.350 0.001 0.000 0.258 392 T C 1.119 175.812 174.700 -0.011 0.000 1.039 392 T CA 0.651 62.747 62.100 -0.008 0.000 1.143 392 T CB -0.936 67.933 68.868 0.001 0.000 0.866 392 T HN 0.486 nan 8.240 nan 0.000 0.428 393 G N 0.532 109.327 108.800 -0.008 0.000 2.476 393 G HA2 0.363 4.323 3.960 0.001 0.000 0.269 393 G HA3 0.363 4.323 3.960 0.001 0.000 0.269 393 G C 0.347 175.239 174.900 -0.013 0.000 1.195 393 G CA -0.577 44.519 45.100 -0.005 0.000 0.843 393 G HN 0.450 nan 8.290 nan 0.000 0.545 394 E N -0.014 120.181 120.200 -0.008 0.000 2.274 394 E HA -0.066 4.285 4.350 0.001 0.000 0.194 394 E C 0.953 177.555 176.600 0.004 0.000 0.996 394 E CA 0.517 56.911 56.400 -0.010 0.000 0.840 394 E CB 0.214 29.911 29.700 -0.005 0.000 0.772 394 E HN 0.402 nan 8.360 nan 0.000 0.491 395 K N 1.760 122.168 120.400 0.014 0.000 2.262 395 K HA 0.271 4.591 4.320 0.001 0.000 0.282 395 K C -0.929 175.695 176.600 0.041 0.000 1.066 395 K CA -0.106 56.199 56.287 0.031 0.000 0.901 395 K CB 0.511 33.030 32.500 0.032 0.000 1.089 395 K HN -0.078 nan 8.250 nan 0.000 0.476 396 I N 4.860 125.467 120.570 0.062 0.000 2.389 396 I HA 0.198 4.368 4.170 0.001 0.000 0.288 396 I C -0.762 175.431 176.117 0.126 0.000 0.999 396 I CA -1.137 60.220 61.300 0.095 0.000 1.129 396 I CB 2.049 40.110 38.000 0.102 0.000 1.288 396 I HN 0.271 nan 8.210 nan 0.000 0.444 397 V N 7.749 127.735 119.914 0.121 0.000 2.313 397 V HA 0.388 4.509 4.120 0.001 0.000 0.278 397 V C 0.172 176.337 176.094 0.118 0.000 1.017 397 V CA -0.411 61.956 62.300 0.111 0.000 0.823 397 V CB 1.177 33.047 31.823 0.079 0.000 1.010 397 V HN 0.474 nan 8.190 nan 0.000 0.443 398 I N 4.271 124.919 120.570 0.129 0.000 2.325 398 I HA 0.311 4.481 4.170 0.001 0.000 0.291 398 I C 0.668 176.840 176.117 0.092 0.000 1.019 398 I CA -0.313 61.052 61.300 0.108 0.000 1.302 398 I CB 0.946 39.019 38.000 0.121 0.000 1.401 398 I HN 0.584 nan 8.210 nan 0.000 0.485 399 E N 5.466 125.708 120.200 0.070 0.000 2.373 399 E HA 0.040 4.390 4.350 0.001 0.000 0.267 399 E C -0.474 176.165 176.600 0.065 0.000 1.032 399 E CA -0.230 56.206 56.400 0.059 0.000 0.889 399 E CB 0.412 30.138 29.700 0.042 0.000 0.984 399 E HN 0.518 nan 8.360 nan 0.000 0.425 400 D N 0.780 121.212 120.400 0.054 0.000 2.837 400 D HA -0.203 4.438 4.640 0.001 0.000 0.230 400 D C -0.893 175.438 176.300 0.053 0.000 1.152 400 D CA 0.822 54.848 54.000 0.044 0.000 0.736 400 D CB -1.105 39.715 40.800 0.033 0.000 1.084 400 D HN 0.118 nan 8.370 nan 0.000 0.429 401 L N 0.068 121.336 121.223 0.075 0.000 2.436 401 L HA 0.509 4.850 4.340 0.001 0.000 0.268 401 L C -1.134 175.796 176.870 0.099 0.000 0.974 401 L CA -0.441 54.454 54.840 0.091 0.000 0.826 401 L CB 1.919 44.065 42.059 0.144 0.000 1.291 401 L HN -0.006 nan 8.230 nan 0.000 0.406 402 N N 5.000 123.756 118.700 0.093 0.000 2.295 402 N HA 0.627 5.368 4.740 0.001 0.000 0.293 402 N C -1.610 173.979 175.510 0.131 0.000 1.040 402 N CA -0.690 52.426 53.050 0.110 0.000 0.840 402 N CB 2.239 40.773 38.487 0.077 0.000 1.468 402 N HN 0.460 nan 8.380 nan 0.000 0.478 403 L N 1.123 122.448 121.223 0.169 0.000 2.334 403 L HA 0.422 4.762 4.340 0.001 0.000 0.273 403 L C 0.796 177.779 176.870 0.188 0.000 1.013 403 L CA -0.398 54.539 54.840 0.162 0.000 0.816 403 L CB 1.880 43.992 42.059 0.089 0.000 1.278 403 L HN 0.620 nan 8.230 nan 0.000 0.431 404 S N -0.498 115.289 115.700 0.145 0.000 2.664 404 S HA 0.247 4.718 4.470 0.001 0.000 0.245 404 S C 0.881 175.556 174.600 0.125 0.000 1.019 404 S CA 0.091 58.368 58.200 0.128 0.000 0.996 404 S CB 0.842 64.096 63.200 0.089 0.000 0.878 404 S HN 0.673 nan 8.310 nan 0.000 0.493 405 A N 1.871 124.774 122.820 0.139 0.000 1.903 405 A HA 0.546 4.866 4.320 0.001 0.000 0.213 405 A C 2.111 179.805 177.584 0.184 0.000 1.185 405 A CA 1.089 53.186 52.037 0.100 0.000 0.628 405 A CB -1.216 17.773 19.000 -0.018 0.000 0.830 405 A HN 1.524 nan 8.150 nan 0.000 0.446 406 G N -2.014 107.033 108.800 0.412 0.000 2.267 406 G HA2 -0.208 3.752 3.960 0.001 0.000 0.257 406 G HA3 -0.208 3.752 3.960 0.001 0.000 0.257 406 G C 0.577 175.744 174.900 0.445 0.000 0.998 406 G CA 1.277 46.604 45.100 0.378 0.000 0.620 406 G HN 1.662 nan 8.290 nan 0.000 0.529 407 T N -0.610 114.127 114.554 0.305 0.000 2.991 407 T HA 0.595 4.946 4.350 0.001 0.000 0.303 407 T C -1.237 173.439 174.700 -0.041 0.000 1.015 407 T CA 0.097 62.314 62.100 0.195 0.000 1.007 407 T CB 1.914 70.843 68.868 0.102 0.000 1.034 407 T HN 0.874 nan 8.240 nan 0.000 0.446 408 V N 6.538 126.402 119.914 -0.084 0.000 2.447 408 V HA 0.570 4.690 4.120 0.001 0.000 0.292 408 V C -0.020 176.062 176.094 -0.021 0.000 1.021 408 V CA -0.891 61.287 62.300 -0.203 0.000 0.850 408 V CB 1.605 33.129 31.823 -0.499 0.000 1.005 408 V HN 0.853 nan 8.190 nan 0.000 0.426 409 R N 2.058 122.563 120.500 0.008 0.000 2.643 409 R HA 0.517 4.858 4.340 0.001 0.000 0.272 409 R C -0.375 176.009 176.300 0.140 0.000 0.995 409 R CA -0.885 55.261 56.100 0.076 0.000 1.032 409 R CB 1.527 31.863 30.300 0.060 0.000 1.126 409 R HN 0.771 nan 8.270 nan 0.000 0.505 410 H N 3.335 122.447 119.070 0.069 0.000 2.705 410 H HA 0.006 4.562 4.556 0.001 0.000 0.291 410 H C 0.504 175.915 175.328 0.138 0.000 1.085 410 H CA -0.235 55.876 56.048 0.106 0.000 1.357 410 H CB 0.409 30.212 29.762 0.067 0.000 1.419 410 H HN 0.671 nan 8.280 nan 0.000 0.462 411 F N 4.939 124.779 119.950 -0.183 0.000 2.053 411 F HA -0.384 4.143 4.527 0.001 0.000 0.295 411 F C 1.529 177.295 175.800 -0.057 0.000 1.102 411 F CA 2.103 60.059 58.000 -0.074 0.000 1.225 411 F CB -0.156 38.847 39.000 0.005 0.000 0.961 411 F HN 0.564 nan 8.300 nan 0.000 0.495 412 L N -0.543 120.588 121.223 -0.153 0.000 2.017 412 L HA -0.214 4.126 4.340 0.001 0.000 0.208 412 L C 2.561 179.375 176.870 -0.093 0.000 1.073 412 L CA 2.040 56.778 54.840 -0.170 0.000 0.745 412 L CB -1.127 40.954 42.059 0.036 0.000 0.894 412 L HN 0.426 nan 8.230 nan 0.000 0.432 413 T N -4.285 110.355 114.554 0.143 0.000 3.035 413 T HA 0.143 4.494 4.350 0.001 0.000 0.259 413 T C 1.542 176.261 174.700 0.032 0.000 1.078 413 T CA 0.614 62.767 62.100 0.089 0.000 1.132 413 T CB 0.371 69.313 68.868 0.123 0.000 0.900 413 T HN 0.473 nan 8.240 nan 0.000 0.480 414 G N 1.510 110.339 108.800 0.048 0.000 2.179 414 G HA2 -0.244 3.716 3.960 0.001 0.000 0.260 414 G HA3 -0.244 3.716 3.960 0.001 0.000 0.260 414 G C -0.199 174.732 174.900 0.051 0.000 0.977 414 G CA 0.087 45.193 45.100 0.010 0.000 0.641 414 G HN 0.663 nan 8.290 nan 0.000 0.533 415 E N 0.719 120.970 120.200 0.085 0.000 2.328 415 E HA 0.283 4.633 4.350 0.001 0.000 0.265 415 E C 0.907 177.554 176.600 0.079 0.000 1.057 415 E CA -0.494 55.942 56.400 0.060 0.000 0.916 415 E CB 0.547 30.262 29.700 0.025 0.000 0.993 415 E HN 0.386 nan 8.360 nan 0.000 0.446 416 R N 3.095 123.633 120.500 0.062 0.000 2.566 416 R HA 0.000 4.341 4.340 0.001 0.000 0.273 416 R C -0.516 175.839 176.300 0.091 0.000 0.981 416 R CA 0.598 56.744 56.100 0.077 0.000 1.091 416 R CB 0.238 30.579 30.300 0.067 0.000 0.924 416 R HN 0.438 nan 8.270 nan 0.000 0.411 417 L N 1.654 122.950 121.223 0.123 0.000 2.303 417 L HA 0.424 4.764 4.340 0.001 0.000 0.266 417 L C -0.105 176.893 176.870 0.214 0.000 1.011 417 L CA -0.966 53.957 54.840 0.138 0.000 0.818 417 L CB 2.002 44.140 42.059 0.133 0.000 1.326 417 L HN 0.565 nan 8.230 nan 0.000 0.435 418 S N 1.163 116.971 115.700 0.180 0.000 2.475 418 S HA 0.681 5.151 4.470 0.001 0.000 0.281 418 S C -0.825 173.939 174.600 0.273 0.000 1.198 418 S CA -0.449 57.857 58.200 0.177 0.000 1.063 418 S CB 0.038 63.287 63.200 0.083 0.000 0.972 418 S HN 0.407 nan 8.310 nan 0.000 0.486 419 F N 2.355 122.327 119.950 0.038 0.000 2.686 419 F HA 0.859 5.387 4.527 0.001 0.000 0.311 419 F C -1.302 174.521 175.800 0.039 0.000 1.128 419 F CA -1.124 56.904 58.000 0.045 0.000 0.946 419 F CB 1.175 40.209 39.000 0.057 0.000 1.336 419 F HN 0.668 nan 8.300 nan 0.000 0.457 420 K N 0.975 121.378 120.400 0.004 0.000 2.589 420 K HA 0.393 4.714 4.320 0.001 0.000 0.265 420 K C -2.171 174.481 176.600 0.086 0.000 0.935 420 K CA -0.920 55.305 56.287 -0.103 0.000 0.850 420 K CB 1.493 33.925 32.500 -0.114 0.000 1.372 420 K HN 0.613 nan 8.250 nan 0.000 0.420 421 N N 2.017 120.763 118.700 0.076 0.000 2.402 421 N HA 0.117 4.858 4.740 0.001 0.000 0.252 421 N C -0.730 174.812 175.510 0.054 0.000 1.118 421 N CA -0.281 52.827 53.050 0.097 0.000 0.945 421 N CB 1.376 39.919 38.487 0.094 0.000 1.147 421 N HN 0.358 nan 8.380 nan 0.000 0.495 422 V N 2.409 122.359 119.914 0.060 0.000 2.247 422 V HA 0.365 4.486 4.120 0.001 0.000 0.262 422 V C 1.250 177.368 176.094 0.040 0.000 1.096 422 V CA 0.025 62.350 62.300 0.042 0.000 0.895 422 V CB -0.251 31.599 31.823 0.044 0.000 1.141 422 V HN 0.982 nan 8.190 nan 0.000 0.478 423 G N 5.211 114.031 108.800 0.032 0.000 2.536 423 G HA2 -0.325 3.635 3.960 0.001 0.000 0.277 423 G HA3 -0.325 3.635 3.960 0.001 0.000 0.277 423 G C 0.800 175.720 174.900 0.034 0.000 1.155 423 G CA 0.501 45.618 45.100 0.028 0.000 0.960 423 G HN 0.845 nan 8.290 nan 0.000 0.544 424 K N 1.065 121.485 120.400 0.032 0.000 2.404 424 K HA 0.324 4.644 4.320 0.001 0.000 0.194 424 K C 0.655 177.283 176.600 0.046 0.000 1.023 424 K CA 0.688 56.995 56.287 0.033 0.000 1.094 424 K CB 0.123 32.637 32.500 0.024 0.000 0.841 424 K HN 0.371 nan 8.250 nan 0.000 0.523 425 N N 0.538 119.271 118.700 0.055 0.000 2.563 425 N HA 0.451 5.191 4.740 0.001 0.000 0.288 425 N C -1.786 173.781 175.510 0.095 0.000 1.246 425 N CA -0.804 52.289 53.050 0.072 0.000 0.946 425 N CB 1.340 39.867 38.487 0.066 0.000 1.213 425 N HN 0.090 nan 8.380 nan 0.000 0.578 426 L N -0.195 121.098 121.223 0.117 0.000 2.409 426 L HA 0.498 4.838 4.340 0.001 0.000 0.272 426 L C -1.115 175.851 176.870 0.160 0.000 0.980 426 L CA -0.266 54.668 54.840 0.157 0.000 0.826 426 L CB 1.595 43.758 42.059 0.173 0.000 1.268 426 L HN 0.503 nan 8.230 nan 0.000 0.407 427 E N 5.354 125.659 120.200 0.174 0.000 2.199 427 E HA 0.669 5.020 4.350 0.001 0.000 0.269 427 E C -1.247 175.475 176.600 0.203 0.000 0.899 427 E CA -0.506 55.987 56.400 0.156 0.000 0.772 427 E CB 2.295 32.061 29.700 0.110 0.000 1.155 427 E HN 0.530 nan 8.360 nan 0.000 0.408 428 I N 1.285 121.961 120.570 0.178 0.000 2.769 428 I HA 0.301 4.471 4.170 0.001 0.000 0.298 428 I C -0.564 175.624 176.117 0.119 0.000 1.128 428 I CA -0.755 60.656 61.300 0.185 0.000 1.031 428 I CB 2.613 40.719 38.000 0.177 0.000 1.235 428 I HN 0.344 nan 8.210 nan 0.000 0.423 429 T N 4.390 119.008 114.554 0.106 0.000 2.770 429 T HA 0.458 4.808 4.350 0.001 0.000 0.283 429 T C -0.445 174.283 174.700 0.046 0.000 0.988 429 T CA -0.413 61.724 62.100 0.062 0.000 0.957 429 T CB 1.393 70.292 68.868 0.052 0.000 0.930 429 T HN 0.204 nan 8.240 nan 0.000 0.443 430 V N 6.801 126.724 119.914 0.015 0.000 2.313 430 V HA 0.311 4.432 4.120 0.001 0.000 0.278 430 V C -2.335 173.740 176.094 -0.033 0.000 1.017 430 V CA -2.357 59.938 62.300 -0.008 0.000 0.823 430 V CB 1.082 32.887 31.823 -0.030 0.000 1.010 430 V HN 0.652 nan 8.190 nan 0.000 0.443 431 P HA 0.030 nan 4.420 nan 0.000 0.260 431 P C 0.797 178.056 177.300 -0.068 0.000 1.185 431 P CA 0.058 63.126 63.100 -0.052 0.000 0.763 431 P CB 0.626 32.290 31.700 -0.061 0.000 0.776 432 K N 6.102 126.475 120.400 -0.045 0.000 2.189 432 K HA -0.263 4.058 4.320 0.001 0.000 0.207 432 K C 1.629 178.201 176.600 -0.047 0.000 1.046 432 K CA 2.201 58.465 56.287 -0.039 0.000 0.928 432 K CB -0.264 32.222 32.500 -0.023 0.000 0.720 432 K HN 0.423 nan 8.250 nan 0.000 0.458 433 K N 0.025 120.391 120.400 -0.057 0.000 2.032 433 K HA -0.176 4.145 4.320 0.001 0.000 0.209 433 K C 2.020 178.564 176.600 -0.093 0.000 1.048 433 K CA 1.870 58.121 56.287 -0.060 0.000 0.927 433 K CB -0.542 31.923 32.500 -0.059 0.000 0.712 433 K HN 0.134 nan 8.250 nan 0.000 0.441 434 L N 1.139 122.257 121.223 -0.175 0.000 1.988 434 L HA -0.107 4.234 4.340 0.001 0.000 0.207 434 L C 2.643 179.428 176.870 -0.142 0.000 1.071 434 L CA 1.038 55.667 54.840 -0.352 0.000 0.744 434 L CB -0.669 40.945 42.059 -0.741 0.000 0.893 434 L HN 0.150 nan 8.230 nan 0.000 0.433 435 L N -0.148 121.026 121.223 -0.081 0.000 2.211 435 L HA -0.268 4.073 4.340 0.001 0.000 0.216 435 L C 2.214 179.105 176.870 0.037 0.000 1.092 435 L CA 1.252 56.096 54.840 0.007 0.000 0.767 435 L CB -0.408 41.636 42.059 -0.025 0.000 0.894 435 L HN 0.339 nan 8.230 nan 0.000 0.437 436 E N -1.542 118.666 120.200 0.014 0.000 2.442 436 E HA -0.104 4.247 4.350 0.001 0.000 0.195 436 E C 2.007 178.640 176.600 0.055 0.000 1.030 436 E CA 0.438 56.856 56.400 0.031 0.000 0.869 436 E CB 0.320 30.027 29.700 0.011 0.000 0.857 436 E HN 0.160 nan 8.360 nan 0.000 0.505 437 T N 0.167 114.762 114.554 0.068 0.000 2.896 437 T HA -0.061 4.289 4.350 0.001 0.000 0.263 437 T C 0.357 175.155 174.700 0.163 0.000 1.050 437 T CA 0.384 62.542 62.100 0.097 0.000 1.140 437 T CB -0.065 68.863 68.868 0.099 0.000 0.877 437 T HN 0.051 nan 8.240 nan 0.000 0.457 438 D N 0.962 121.505 120.400 0.239 0.000 2.400 438 D HA 0.089 4.729 4.640 0.001 0.000 0.238 438 D C 0.908 177.374 176.300 0.276 0.000 1.157 438 D CA 0.125 54.319 54.000 0.323 0.000 0.889 438 D CB 1.510 42.498 40.800 0.313 0.000 1.199 438 D HN 0.187 nan 8.370 nan 0.000 0.436 439 S N 0.884 116.821 115.700 0.395 0.000 2.370 439 S HA 0.092 4.562 4.470 0.001 0.000 0.214 439 S C 1.644 176.417 174.600 0.289 0.000 1.033 439 S CA 0.254 58.649 58.200 0.326 0.000 0.941 439 S CB 0.131 63.559 63.200 0.380 0.000 0.886 439 S HN 0.484 nan 8.310 nan 0.000 0.521 440 I N 0.665 121.454 120.570 0.366 0.000 4.471 440 I HA 0.188 4.358 4.170 0.001 0.000 0.326 440 I C -0.177 176.060 176.117 0.202 0.000 1.300 440 I CA 0.207 61.633 61.300 0.209 0.000 1.237 440 I CB 1.246 39.275 38.000 0.047 0.000 1.195 440 I HN 0.337 nan 8.210 nan 0.000 0.427 441 T N -0.246 114.414 114.554 0.177 0.000 2.886 441 T HA 0.559 4.910 4.350 0.001 0.000 0.292 441 T C -0.828 173.861 174.700 -0.018 0.000 1.012 441 T CA -0.659 61.486 62.100 0.075 0.000 0.982 441 T CB 2.387 71.280 68.868 0.042 0.000 1.018 441 T HN -0.029 nan 8.240 nan 0.000 0.451 442 L N 3.621 124.850 121.223 0.009 0.000 2.319 442 L HA 0.708 5.049 4.340 0.001 0.000 0.280 442 L C -0.984 175.893 176.870 0.012 0.000 1.099 442 L CA -0.104 54.704 54.840 -0.054 0.000 0.828 442 L CB 0.571 42.421 42.059 -0.349 0.000 1.150 442 L HN 0.646 nan 8.230 nan 0.000 0.442 443 V N 6.596 126.501 119.914 -0.015 0.000 2.540 443 V HA 0.516 4.637 4.120 0.001 0.000 0.302 443 V C 0.023 176.154 176.094 0.061 0.000 1.035 443 V CA -0.568 61.739 62.300 0.013 0.000 0.873 443 V CB 1.618 33.345 31.823 -0.160 0.000 0.992 443 V HN 0.728 nan 8.190 nan 0.000 0.428 444 L N 3.310 124.620 121.223 0.145 0.000 2.319 444 L HA 0.735 5.075 4.340 0.001 0.000 0.267 444 L C -0.342 176.605 176.870 0.129 0.000 1.011 444 L CA -0.597 54.329 54.840 0.142 0.000 0.818 444 L CB 2.297 44.455 42.059 0.165 0.000 1.316 444 L HN 0.684 nan 8.230 nan 0.000 0.432 445 E N 1.078 121.330 120.200 0.085 0.000 2.246 445 E HA 0.676 5.026 4.350 0.001 0.000 0.266 445 E C -1.600 174.916 176.600 -0.139 0.000 0.880 445 E CA -0.610 55.767 56.400 -0.039 0.000 0.762 445 E CB 2.096 31.849 29.700 0.089 0.000 1.180 445 E HN 0.687 nan 8.360 nan 0.000 0.416 446 A N 3.272 125.940 122.820 -0.254 0.000 2.320 446 A HA 0.777 5.098 4.320 0.001 0.000 0.334 446 A C -0.841 176.593 177.584 -0.249 0.000 1.147 446 A CA -0.503 51.377 52.037 -0.261 0.000 0.820 446 A CB 1.426 20.238 19.000 -0.313 0.000 1.218 446 A HN 0.417 nan 8.150 nan 0.000 0.482 447 V N 0.000 119.814 119.914 -0.166 0.000 2.409 447 V HA 0.000 4.120 4.120 0.001 0.000 0.244 447 V CA 0.000 62.230 62.300 -0.117 0.000 1.235 447 V CB 0.000 31.777 31.823 -0.076 0.000 1.184 447 V HN 0.000 nan 8.190 nan 0.000 0.556