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 3p3l_1_B DATA FIRST_RESID 4 DATA SEQUENCE TAHTEPSWAD LPFLDFTDPN FSWDSPEVAE AREKSWIART PLALLVLRYA DATA SEQUENCE EADQLARDKR LISGFRGLVD MVGTPEGPVR DFMVDFLQSL DGADHRRLRG DATA SEQUENCE LATHPFTPRR ITAVQPFVRS TVEQLIDKLP QGDFDFVQHF AHPLPALVMC DATA SEQUENCE QLLGFPLEDY DTVGRLSIET NLGLALSNDQ DILVKVEQGL GRMFDYLVAA DATA SEQUENCE IEKRKVEPGD DLTSDIVRAF HDGVLDDYEL RTLVATVLVA GYETTNHQLA DATA SEQUENCE LAMYDFAQHP DQWMKIKENP ELAPQAVEEV LRWSPTLPVT ATRVAAEDFE DATA SEQUENCE VNGVRIPTGT PVFMCAHVAH RDPRVFADAD RFDITVKREA PSIAFGGGPH DATA SEQUENCE FCLGTALARL ELTEAVAALA TRLDPPQIAG EITWRHELGV AGPDALPLRF DATA SEQUENCE GAA 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.561 174.700 -0.232 0.000 1.109 4 T CA 0.000 62.011 62.100 -0.148 0.000 1.349 4 T CB 0.000 68.797 68.868 -0.117 0.000 0.612 5 A N 0.224 122.935 122.820 -0.183 0.000 2.388 5 A HA 0.607 4.928 4.320 0.003 0.000 0.257 5 A C 0.968 178.413 177.584 -0.230 0.000 1.095 5 A CA 0.164 52.099 52.037 -0.171 0.000 0.791 5 A CB 0.086 19.030 19.000 -0.093 0.000 1.029 5 A HN 0.563 nan 8.150 nan 0.000 0.489 6 H N 0.388 119.432 119.070 -0.044 0.000 2.415 6 H HA 0.078 4.635 4.556 0.003 0.000 0.297 6 H C 0.997 176.291 175.328 -0.057 0.000 1.048 6 H CA 1.772 57.794 56.048 -0.043 0.000 1.365 6 H CB 0.256 30.000 29.762 -0.030 0.000 1.421 6 H HN 0.738 nan 8.280 nan 0.000 0.533 7 T N -1.612 112.974 114.554 0.053 0.000 2.916 7 T HA 0.272 4.624 4.350 0.003 0.000 0.292 7 T C -0.250 174.388 174.700 -0.104 0.000 1.055 7 T CA -1.213 60.876 62.100 -0.019 0.000 1.009 7 T CB 2.517 71.409 68.868 0.041 0.000 1.118 7 T HN 0.042 nan 8.240 nan 0.000 0.497 8 E N 2.237 122.282 120.200 -0.259 0.000 2.606 8 E HA 0.138 4.489 4.350 0.003 0.000 0.248 8 E C -1.791 174.707 176.600 -0.169 0.000 1.005 8 E CA -1.607 54.552 56.400 -0.403 0.000 0.946 8 E CB 0.453 29.503 29.700 -1.083 0.000 0.928 8 E HN 0.331 nan 8.360 nan 0.000 0.494 9 P HA -0.182 nan 4.420 nan 0.000 0.216 9 P C 0.928 178.263 177.300 0.058 0.000 1.150 9 P CA 1.723 64.818 63.100 -0.008 0.000 0.837 9 P CB 0.047 31.736 31.700 -0.019 0.000 0.786 10 S N -2.999 112.744 115.700 0.072 0.000 2.555 10 S HA -0.099 4.373 4.470 0.003 0.000 0.230 10 S C 1.153 175.970 174.600 0.363 0.000 0.978 10 S CA 0.305 58.618 58.200 0.189 0.000 0.934 10 S CB -1.117 62.200 63.200 0.195 0.000 0.766 10 S HN 0.143 nan 8.310 nan 0.000 0.533 11 W N 1.276 122.570 121.300 -0.011 0.000 3.278 11 W HA 0.621 5.282 4.660 0.002 0.000 0.308 11 W C 2.285 178.795 176.519 -0.014 0.000 1.253 11 W CA -1.233 56.097 57.345 -0.025 0.000 1.759 11 W CB -0.776 28.665 29.460 -0.031 0.000 1.093 11 W HN 0.388 nan 8.180 nan 0.000 0.648 12 A N 0.041 122.982 122.820 0.201 0.000 1.978 12 A HA -0.178 4.144 4.320 0.003 0.000 0.220 12 A C 1.511 179.145 177.584 0.082 0.000 1.170 12 A CA 2.016 54.125 52.037 0.120 0.000 0.636 12 A CB -0.300 18.751 19.000 0.085 0.000 0.810 12 A HN 0.088 nan 8.150 nan 0.000 0.448 13 D N -0.865 119.578 120.400 0.071 0.000 2.398 13 D HA 0.215 4.856 4.640 0.003 0.000 0.210 13 D C -0.043 176.264 176.300 0.013 0.000 1.094 13 D CA -0.114 53.911 54.000 0.042 0.000 0.839 13 D CB 0.161 40.988 40.800 0.044 0.000 0.963 13 D HN 0.337 nan 8.370 nan 0.000 0.506 14 L N 3.525 124.742 121.223 -0.010 0.000 2.455 14 L HA 0.146 4.488 4.340 0.003 0.000 0.272 14 L C -1.823 175.021 176.870 -0.044 0.000 1.174 14 L CA -1.209 53.577 54.840 -0.090 0.000 0.869 14 L CB 0.036 41.968 42.059 -0.211 0.000 1.130 14 L HN -0.234 nan 8.230 nan 0.000 0.474 15 P HA 0.017 nan 4.420 nan 0.000 0.271 15 P C -0.942 176.375 177.300 0.028 0.000 1.218 15 P CA -0.114 62.991 63.100 0.008 0.000 0.780 15 P CB 0.622 32.318 31.700 -0.006 0.000 0.901 16 F N 3.417 123.330 119.950 -0.062 0.000 2.408 16 F HA 0.502 5.030 4.527 0.002 0.000 0.344 16 F C -0.797 174.979 175.800 -0.040 0.000 1.112 16 F CA -0.518 57.440 58.000 -0.071 0.000 1.096 16 F CB 0.715 39.674 39.000 -0.068 0.000 1.129 16 F HN 0.114 nan 8.300 nan 0.000 0.486 17 L N 4.909 125.682 121.223 -0.749 0.000 2.388 17 L HA 0.418 4.760 4.340 0.003 0.000 0.264 17 L C -1.529 174.745 176.870 -0.994 0.000 0.998 17 L CA -0.968 53.557 54.840 -0.525 0.000 0.817 17 L CB 2.156 44.133 42.059 -0.136 0.000 1.338 17 L HN 0.468 nan 8.230 nan 0.000 0.414 18 D N 1.217 121.228 120.400 -0.648 0.000 2.389 18 D HA 0.213 4.854 4.640 0.003 0.000 0.256 18 D C 0.297 176.046 176.300 -0.919 0.000 1.239 18 D CA -0.515 53.046 54.000 -0.732 0.000 0.925 18 D CB 0.943 41.546 40.800 -0.329 0.000 1.145 18 D HN 0.327 nan 8.370 nan 0.000 0.542 19 F N 1.452 120.704 119.950 -1.163 0.000 2.771 19 F HA 0.078 4.606 4.527 0.002 0.000 0.299 19 F C 1.757 177.077 175.800 -0.800 0.000 1.177 19 F CA 0.689 57.624 58.000 -1.775 0.000 1.450 19 F CB -0.839 37.269 39.000 -1.487 0.000 1.114 19 F HN 0.222 nan 8.300 nan 0.000 0.587 20 T N -3.537 110.631 114.554 -0.643 0.000 3.081 20 T HA -0.015 4.337 4.350 0.003 0.000 0.250 20 T C 0.605 175.189 174.700 -0.193 0.000 1.100 20 T CA -0.137 61.777 62.100 -0.309 0.000 1.038 20 T CB -0.548 68.126 68.868 -0.324 0.000 0.962 20 T HN 0.345 nan 8.240 nan 0.000 0.516 21 D N 2.678 122.958 120.400 -0.200 0.000 2.455 21 D HA 0.068 4.710 4.640 0.003 0.000 0.241 21 D C -1.332 174.951 176.300 -0.029 0.000 1.138 21 D CA -1.438 52.516 54.000 -0.076 0.000 0.877 21 D CB 1.636 42.426 40.800 -0.018 0.000 1.187 21 D HN 0.023 nan 8.370 nan 0.000 0.451 22 P HA -0.132 nan 4.420 nan 0.000 0.216 22 P C 0.608 177.889 177.300 -0.031 0.000 1.157 22 P CA 1.118 64.195 63.100 -0.038 0.000 0.880 22 P CB 0.237 31.913 31.700 -0.041 0.000 0.791 23 N N -1.665 117.023 118.700 -0.019 0.000 2.370 23 N HA 0.026 4.767 4.740 0.003 0.000 0.198 23 N C 0.080 175.558 175.510 -0.053 0.000 1.156 23 N CA -0.110 52.916 53.050 -0.040 0.000 0.839 23 N CB -0.389 38.073 38.487 -0.042 0.000 0.989 23 N HN 0.175 nan 8.380 nan 0.000 0.468 24 F N 1.745 121.588 119.950 -0.179 0.000 2.538 24 F HA 0.114 4.643 4.527 0.003 0.000 0.371 24 F C 0.609 176.215 175.800 -0.323 0.000 1.087 24 F CA -0.067 57.782 58.000 -0.252 0.000 1.250 24 F CB 0.686 39.506 39.000 -0.301 0.000 1.110 24 F HN -0.236 nan 8.300 nan 0.000 0.570 25 S N 5.359 120.397 115.700 -1.103 0.000 2.547 25 S HA 0.243 4.715 4.470 0.003 0.000 0.281 25 S C 0.034 173.944 174.600 -1.149 0.000 1.118 25 S CA -0.830 56.839 58.200 -0.885 0.000 0.947 25 S CB 0.502 63.422 63.200 -0.467 0.000 1.053 25 S HN 0.804 nan 8.310 nan 0.000 0.482 26 W N 1.849 122.764 121.300 -0.642 0.000 2.468 26 W HA 0.043 4.705 4.660 0.002 0.000 0.262 26 W C 0.991 177.318 176.519 -0.319 0.000 1.241 26 W CA 0.186 57.247 57.345 -0.473 0.000 1.232 26 W CB 0.197 29.296 29.460 -0.601 0.000 1.124 26 W HN 0.638 nan 8.180 nan 0.000 0.597 27 D N -0.507 119.812 120.400 -0.134 0.000 2.395 27 D HA 0.013 4.654 4.640 0.003 0.000 0.213 27 D C 0.866 177.108 176.300 -0.096 0.000 1.110 27 D CA 0.313 54.283 54.000 -0.050 0.000 0.835 27 D CB -0.076 40.700 40.800 -0.040 0.000 0.965 27 D HN -0.041 nan 8.370 nan 0.000 0.505 28 S N 1.284 116.864 115.700 -0.200 0.000 2.579 28 S HA 0.122 4.594 4.470 0.003 0.000 0.275 28 S C -1.302 173.244 174.600 -0.091 0.000 1.345 28 S CA -0.830 57.265 58.200 -0.175 0.000 1.031 28 S CB 1.681 64.715 63.200 -0.277 0.000 0.892 28 S HN -0.115 nan 8.310 nan 0.000 0.529 29 P HA -0.140 nan 4.420 nan 0.000 0.220 29 P C 1.241 178.533 177.300 -0.014 0.000 1.148 29 P CA 1.429 64.516 63.100 -0.020 0.000 0.803 29 P CB -0.134 31.558 31.700 -0.013 0.000 0.782 30 E N 0.032 120.213 120.200 -0.033 0.000 2.150 30 E HA -0.087 4.265 4.350 0.003 0.000 0.193 30 E C 1.740 178.346 176.600 0.010 0.000 0.985 30 E CA 0.878 57.274 56.400 -0.006 0.000 0.814 30 E CB -1.000 28.700 29.700 -0.002 0.000 0.752 30 E HN -0.011 nan 8.360 nan 0.000 0.466 31 V N 1.534 121.438 119.914 -0.016 0.000 2.379 31 V HA -0.190 3.931 4.120 0.003 0.000 0.245 31 V C 2.605 178.735 176.094 0.061 0.000 1.044 31 V CA 1.695 64.017 62.300 0.037 0.000 1.036 31 V CB -0.636 31.194 31.823 0.011 0.000 0.664 31 V HN 0.514 nan 8.190 nan 0.000 0.453 32 A N -0.273 122.573 122.820 0.044 0.000 1.902 32 A HA -0.260 4.062 4.320 0.003 0.000 0.217 32 A C 2.160 179.776 177.584 0.053 0.000 1.181 32 A CA 1.979 54.050 52.037 0.057 0.000 0.623 32 A CB -0.490 18.539 19.000 0.048 0.000 0.818 32 A HN 0.619 nan 8.150 nan 0.000 0.443 33 E N -0.352 119.872 120.200 0.040 0.000 2.110 33 E HA -0.105 4.247 4.350 0.003 0.000 0.193 33 E C 2.309 178.934 176.600 0.041 0.000 0.988 33 E CA 0.891 57.314 56.400 0.038 0.000 0.804 33 E CB -0.275 29.443 29.700 0.030 0.000 0.745 33 E HN 0.635 nan 8.360 nan 0.000 0.458 34 A N 1.458 124.304 122.820 0.043 0.000 1.877 34 A HA -0.201 4.120 4.320 0.003 0.000 0.216 34 A C 2.106 179.712 177.584 0.037 0.000 1.186 34 A CA 1.439 53.496 52.037 0.034 0.000 0.620 34 A CB -0.421 18.601 19.000 0.038 0.000 0.822 34 A HN 0.068 nan 8.150 nan 0.000 0.443 35 R N -0.356 120.181 120.500 0.061 0.000 2.115 35 R HA -0.153 4.189 4.340 0.003 0.000 0.230 35 R C 2.172 178.521 176.300 0.082 0.000 1.111 35 R CA 1.650 57.797 56.100 0.079 0.000 0.976 35 R CB -0.212 30.149 30.300 0.102 0.000 0.870 35 R HN 0.758 nan 8.270 nan 0.000 0.445 36 E N 0.525 120.767 120.200 0.070 0.000 2.072 36 E HA -0.223 4.129 4.350 0.003 0.000 0.191 36 E C 1.900 178.538 176.600 0.064 0.000 0.985 36 E CA 1.200 57.640 56.400 0.067 0.000 0.801 36 E CB 0.077 29.810 29.700 0.056 0.000 0.750 36 E HN 0.180 nan 8.360 nan 0.000 0.452 37 K N -0.227 120.203 120.400 0.051 0.000 2.057 37 K HA -0.052 4.269 4.320 0.003 0.000 0.206 37 K C 0.325 176.955 176.600 0.050 0.000 1.050 37 K CA 1.069 57.382 56.287 0.044 0.000 0.935 37 K CB 0.162 32.680 32.500 0.029 0.000 0.715 37 K HN 0.009 nan 8.250 nan 0.000 0.439 38 S N -1.296 114.427 115.700 0.039 0.000 2.537 38 S HA 0.161 4.633 4.470 0.003 0.000 0.270 38 S C -0.042 174.583 174.600 0.042 0.000 1.142 38 S CA -0.933 57.279 58.200 0.021 0.000 0.870 38 S CB 0.482 63.618 63.200 -0.106 0.000 1.112 38 S HN 0.398 nan 8.310 nan 0.000 0.466 39 W N 4.085 125.395 121.300 0.017 0.000 2.525 39 W HA 0.291 4.953 4.660 0.003 0.000 0.259 39 W C 0.092 176.613 176.519 0.003 0.000 1.253 39 W CA 0.163 57.520 57.345 0.020 0.000 1.262 39 W CB -0.296 29.178 29.460 0.023 0.000 1.122 39 W HN 0.477 nan 8.180 nan 0.000 0.607 40 I N 0.679 120.758 120.570 -0.819 0.000 2.656 40 I HA 0.615 4.787 4.170 0.003 0.000 0.292 40 I C -0.538 175.247 176.117 -0.554 0.000 1.144 40 I CA -0.686 60.080 61.300 -0.890 0.000 1.038 40 I CB 2.002 38.956 38.000 -1.744 0.000 1.244 40 I HN -0.120 nan 8.210 nan 0.000 0.420 41 A N 5.581 128.168 122.820 -0.389 0.000 2.313 41 A HA 0.869 5.191 4.320 0.003 0.000 0.323 41 A C -0.984 176.379 177.584 -0.369 0.000 1.133 41 A CA -0.663 51.195 52.037 -0.298 0.000 0.847 41 A CB 1.528 20.428 19.000 -0.167 0.000 1.308 41 A HN 0.681 nan 8.150 nan 0.000 0.475 42 R N 0.239 120.542 120.500 -0.327 0.000 2.387 42 R HA 0.587 4.929 4.340 0.003 0.000 0.314 42 R C -0.167 175.871 176.300 -0.436 0.000 0.958 42 R CA 0.487 56.376 56.100 -0.352 0.000 0.846 42 R CB 0.970 31.141 30.300 -0.215 0.000 1.147 42 R HN 0.934 nan 8.270 nan 0.000 0.447 43 T N 1.410 115.701 114.554 -0.438 0.000 2.949 43 T HA 0.479 4.831 4.350 0.003 0.000 0.287 43 T C -1.918 172.608 174.700 -0.289 0.000 1.034 43 T CA -2.076 59.683 62.100 -0.570 0.000 1.018 43 T CB 1.652 70.206 68.868 -0.522 0.000 1.135 43 T HN 0.342 nan 8.240 nan 0.000 0.532 44 P HA -0.076 nan 4.420 nan 0.000 0.216 44 P C 1.459 178.706 177.300 -0.088 0.000 1.153 44 P CA 0.937 64.020 63.100 -0.029 0.000 0.858 44 P CB -0.129 31.545 31.700 -0.043 0.000 0.789 45 L N -4.455 116.658 121.223 -0.182 0.000 2.463 45 L HA 0.521 4.862 4.340 0.003 0.000 0.219 45 L C 0.842 177.587 176.870 -0.209 0.000 1.088 45 L CA -0.090 54.658 54.840 -0.154 0.000 0.849 45 L CB -1.727 40.249 42.059 -0.139 0.000 1.012 45 L HN -0.178 nan 8.230 nan 0.000 0.468 46 A N -0.400 122.224 122.820 -0.326 0.000 2.602 46 A HA 0.725 5.046 4.320 0.003 0.000 0.290 46 A C -1.133 176.202 177.584 -0.415 0.000 1.114 46 A CA -0.593 51.183 52.037 -0.436 0.000 0.683 46 A CB 0.749 19.188 19.000 -0.936 0.000 1.281 46 A HN 0.083 nan 8.150 nan 0.000 0.416 47 L N 0.306 121.296 121.223 -0.389 0.000 2.357 47 L HA 0.536 4.878 4.340 0.003 0.000 0.273 47 L C -1.111 175.589 176.870 -0.283 0.000 1.080 47 L CA -0.719 53.883 54.840 -0.398 0.000 0.803 47 L CB 1.184 42.985 42.059 -0.431 0.000 1.174 47 L HN 0.539 nan 8.230 nan 0.000 0.443 48 L N 3.177 124.254 121.223 -0.244 0.000 2.343 48 L HA 0.379 4.721 4.340 0.003 0.000 0.278 48 L C -0.334 176.470 176.870 -0.111 0.000 0.996 48 L CA -0.197 54.585 54.840 -0.097 0.000 0.831 48 L CB 1.882 43.931 42.059 -0.017 0.000 1.232 48 L HN 0.174 nan 8.230 nan 0.000 0.413 49 V N 5.591 125.488 119.914 -0.029 0.000 2.455 49 V HA 0.165 4.287 4.120 0.003 0.000 0.273 49 V C 1.126 177.250 176.094 0.051 0.000 1.045 49 V CA -0.016 62.300 62.300 0.026 0.000 0.976 49 V CB 1.035 32.953 31.823 0.158 0.000 0.993 49 V HN 0.678 nan 8.190 nan 0.000 0.475 50 L N 3.951 125.215 121.223 0.069 0.000 2.470 50 L HA 0.305 4.647 4.340 0.003 0.000 0.219 50 L C 1.227 178.178 176.870 0.135 0.000 1.071 50 L CA 0.233 55.125 54.840 0.086 0.000 0.850 50 L CB 0.040 42.141 42.059 0.071 0.000 1.040 50 L HN 0.490 nan 8.230 nan 0.000 0.475 51 R N -1.191 119.424 120.500 0.192 0.000 2.500 51 R HA 0.112 4.454 4.340 0.003 0.000 0.277 51 R C 0.555 176.985 176.300 0.217 0.000 1.026 51 R CA -0.443 55.788 56.100 0.218 0.000 1.058 51 R CB 0.983 31.426 30.300 0.239 0.000 1.078 51 R HN -0.121 nan 8.270 nan 0.000 0.509 52 Y N 2.151 122.523 120.300 0.119 0.000 2.097 52 Y HA -0.308 4.244 4.550 0.003 0.000 0.282 52 Y C 2.101 178.049 175.900 0.080 0.000 1.152 52 Y CA 2.327 60.496 58.100 0.116 0.000 1.136 52 Y CB -0.212 38.315 38.460 0.111 0.000 0.975 52 Y HN 0.796 nan 8.280 nan 0.000 0.498 53 A N 0.297 123.253 122.820 0.226 0.000 1.859 53 A HA -0.282 4.039 4.320 0.003 0.000 0.217 53 A C 1.966 179.549 177.584 -0.002 0.000 1.198 53 A CA 2.333 54.431 52.037 0.101 0.000 0.629 53 A CB -0.906 18.143 19.000 0.081 0.000 0.830 53 A HN 0.578 nan 8.150 nan 0.000 0.446 54 E N -0.206 120.011 120.200 0.028 0.000 2.106 54 E HA 0.031 4.383 4.350 0.003 0.000 0.192 54 E C 2.219 178.855 176.600 0.060 0.000 0.984 54 E CA 1.234 57.648 56.400 0.023 0.000 0.806 54 E CB -0.445 29.315 29.700 0.099 0.000 0.750 54 E HN 0.592 nan 8.360 nan 0.000 0.458 55 A N 0.953 123.799 122.820 0.043 0.000 1.902 55 A HA -0.253 4.068 4.320 0.003 0.000 0.217 55 A C 2.007 179.549 177.584 -0.071 0.000 1.181 55 A CA 1.966 54.002 52.037 -0.002 0.000 0.623 55 A CB -0.671 18.304 19.000 -0.042 0.000 0.818 55 A HN 0.297 nan 8.150 nan 0.000 0.443 56 D N -0.961 119.331 120.400 -0.180 0.000 2.117 56 D HA -0.162 4.480 4.640 0.003 0.000 0.198 56 D C 2.135 178.393 176.300 -0.070 0.000 0.982 56 D CA 1.686 55.580 54.000 -0.176 0.000 0.828 56 D CB -0.159 40.450 40.800 -0.317 0.000 0.967 56 D HN 0.590 nan 8.370 nan 0.000 0.464 57 Q N -0.411 119.358 119.800 -0.052 0.000 2.016 57 Q HA -0.035 4.307 4.340 0.003 0.000 0.200 57 Q C 2.419 178.419 176.000 0.001 0.000 0.978 57 Q CA 0.960 56.747 55.803 -0.027 0.000 0.833 57 Q CB -0.077 28.640 28.738 -0.035 0.000 0.895 57 Q HN 0.363 nan 8.270 nan 0.000 0.427 58 L N 0.120 121.363 121.223 0.034 0.000 2.376 58 L HA -0.041 4.301 4.340 0.003 0.000 0.219 58 L C 2.276 179.188 176.870 0.069 0.000 1.133 58 L CA 0.363 55.252 54.840 0.081 0.000 0.816 58 L CB -0.415 41.745 42.059 0.168 0.000 0.933 58 L HN 0.204 nan 8.230 nan 0.000 0.449 59 A N 1.164 124.014 122.820 0.049 0.000 2.067 59 A HA -0.166 4.156 4.320 0.003 0.000 0.219 59 A C 2.222 179.840 177.584 0.057 0.000 1.158 59 A CA 1.405 53.475 52.037 0.056 0.000 0.661 59 A CB -0.366 18.670 19.000 0.059 0.000 0.801 59 A HN 0.590 nan 8.150 nan 0.000 0.452 60 R N -1.026 119.492 120.500 0.030 0.000 2.508 60 R HA 0.160 4.502 4.340 0.003 0.000 0.300 60 R C -0.520 175.776 176.300 -0.008 0.000 0.970 60 R CA -0.166 55.943 56.100 0.015 0.000 1.102 60 R CB -0.101 30.194 30.300 -0.008 0.000 1.246 60 R HN 0.195 nan 8.270 nan 0.000 0.539 61 D N 3.266 123.657 120.400 -0.015 0.000 2.371 61 D HA -0.037 4.605 4.640 0.003 0.000 0.256 61 D C 0.595 176.844 176.300 -0.085 0.000 1.193 61 D CA 0.121 54.082 54.000 -0.064 0.000 0.881 61 D CB 1.332 42.086 40.800 -0.076 0.000 1.143 61 D HN 0.429 nan 8.370 nan 0.000 0.473 62 K N 3.255 123.594 120.400 -0.101 0.000 2.362 62 K HA -0.079 4.243 4.320 0.003 0.000 0.200 62 K C 1.221 177.746 176.600 -0.125 0.000 1.046 62 K CA 0.655 56.891 56.287 -0.084 0.000 0.952 62 K CB 0.173 32.633 32.500 -0.066 0.000 0.753 62 K HN 0.252 nan 8.250 nan 0.000 0.466 63 R N 0.648 120.995 120.500 -0.255 0.000 2.313 63 R HA 0.209 4.550 4.340 0.003 0.000 0.199 63 R C -0.049 176.123 176.300 -0.213 0.000 0.958 63 R CA 0.187 56.072 56.100 -0.358 0.000 1.047 63 R CB -0.006 29.775 30.300 -0.865 0.000 0.955 63 R HN 0.141 nan 8.270 nan 0.000 0.481 64 L N 2.096 123.256 121.223 -0.104 0.000 2.319 64 L HA 0.463 4.804 4.340 0.003 0.000 0.281 64 L C -0.082 176.807 176.870 0.031 0.000 1.005 64 L CA -0.795 54.068 54.840 0.038 0.000 0.828 64 L CB 1.454 43.574 42.059 0.102 0.000 1.227 64 L HN 0.031 nan 8.230 nan 0.000 0.415 65 I N -1.028 119.568 120.570 0.042 0.000 3.205 65 I HA 0.552 4.723 4.170 0.003 0.000 0.310 65 I C 0.527 176.643 176.117 -0.002 0.000 1.089 65 I CA -0.769 60.547 61.300 0.026 0.000 1.023 65 I CB 1.752 39.772 38.000 0.034 0.000 1.269 65 I HN 0.424 nan 8.210 nan 0.000 0.512 66 S N 0.732 116.401 115.700 -0.051 0.000 2.537 66 S HA 0.240 4.712 4.470 0.003 0.000 0.286 66 S C 0.964 175.563 174.600 -0.001 0.000 1.299 66 S CA 0.172 58.309 58.200 -0.105 0.000 1.067 66 S CB 0.264 63.350 63.200 -0.190 0.000 0.864 66 S HN 0.915 nan 8.310 nan 0.000 0.494 67 G N 3.752 112.537 108.800 -0.026 0.000 3.088 67 G HA2 0.116 4.078 3.960 0.003 0.000 0.217 67 G HA3 0.116 4.078 3.960 0.003 0.000 0.217 67 G C 0.780 175.678 174.900 -0.003 0.000 1.159 67 G CA -0.239 44.861 45.100 0.000 0.000 0.760 67 G HN 0.707 nan 8.290 nan 0.000 0.550 68 F N 1.284 121.236 119.950 0.004 0.000 2.095 68 F HA -0.011 4.517 4.527 0.002 0.000 0.298 68 F C 2.832 178.688 175.800 0.093 0.000 1.104 68 F CA 1.374 59.409 58.000 0.058 0.000 1.232 68 F CB 0.029 39.067 39.000 0.064 0.000 0.987 68 F HN 0.020 nan 8.300 nan 0.000 0.475 69 R N -0.334 120.321 120.500 0.259 0.000 2.120 69 R HA -0.095 4.247 4.340 0.003 0.000 0.234 69 R C 2.540 178.924 176.300 0.141 0.000 1.123 69 R CA 0.995 57.206 56.100 0.185 0.000 0.975 69 R CB -1.053 29.331 30.300 0.140 0.000 0.866 69 R HN 0.405 nan 8.270 nan 0.000 0.446 70 G N 1.221 110.093 108.800 0.120 0.000 2.421 70 G HA2 -0.238 3.724 3.960 0.003 0.000 0.216 70 G HA3 -0.238 3.724 3.960 0.003 0.000 0.216 70 G C 1.408 176.369 174.900 0.102 0.000 1.171 70 G CA 0.507 45.666 45.100 0.099 0.000 0.775 70 G HN 0.130 nan 8.290 nan 0.000 0.543 71 L N 0.186 121.473 121.223 0.107 0.000 2.046 71 L HA -0.109 4.233 4.340 0.003 0.000 0.208 71 L C 3.030 179.974 176.870 0.125 0.000 1.077 71 L CA 0.545 55.452 54.840 0.111 0.000 0.747 71 L CB -0.615 41.489 42.059 0.075 0.000 0.896 71 L HN 0.089 nan 8.230 nan 0.000 0.432 72 V N -0.059 119.947 119.914 0.153 0.000 2.287 72 V HA -0.328 3.794 4.120 0.003 0.000 0.248 72 V C 2.062 178.221 176.094 0.109 0.000 1.053 72 V CA 2.119 64.506 62.300 0.146 0.000 1.027 72 V CB -0.531 31.395 31.823 0.171 0.000 0.646 72 V HN 0.437 nan 8.190 nan 0.000 0.447 73 D N -1.009 119.451 120.400 0.100 0.000 2.178 73 D HA -0.140 4.502 4.640 0.003 0.000 0.202 73 D C 2.013 178.354 176.300 0.068 0.000 0.974 73 D CA 1.069 55.116 54.000 0.079 0.000 0.841 73 D CB -0.242 40.602 40.800 0.073 0.000 0.953 73 D HN 0.359 nan 8.370 nan 0.000 0.478 74 M N 0.464 120.108 119.600 0.073 0.000 2.117 74 M HA -0.147 4.335 4.480 0.003 0.000 0.262 74 M C 1.832 178.166 176.300 0.057 0.000 1.065 74 M CA 1.302 56.639 55.300 0.061 0.000 1.114 74 M CB 0.215 32.855 32.600 0.067 0.000 1.361 74 M HN 0.052 nan 8.290 nan 0.000 0.408 75 V N -2.827 117.128 119.914 0.069 0.000 3.235 75 V HA 0.338 4.460 4.120 0.003 0.000 0.259 75 V C 1.175 177.303 176.094 0.057 0.000 1.133 75 V CA 0.733 63.070 62.300 0.063 0.000 1.128 75 V CB -1.012 30.856 31.823 0.075 0.000 0.757 75 V HN 0.685 nan 8.190 nan 0.000 0.469 76 G N 1.034 109.871 108.800 0.060 0.000 2.225 76 G HA2 -0.235 3.727 3.960 0.003 0.000 0.264 76 G HA3 -0.235 3.727 3.960 0.003 0.000 0.264 76 G C 0.060 174.993 174.900 0.055 0.000 1.060 76 G CA 0.285 45.417 45.100 0.054 0.000 0.833 76 G HN 0.718 nan 8.290 nan 0.000 0.498 77 T N 2.898 117.493 114.554 0.067 0.000 2.831 77 T HA 0.375 4.726 4.350 0.003 0.000 0.291 77 T C -1.074 173.663 174.700 0.062 0.000 0.981 77 T CA 0.245 62.386 62.100 0.069 0.000 1.174 77 T CB 1.249 70.169 68.868 0.086 0.000 0.929 77 T HN 0.427 nan 8.240 nan 0.000 0.532 78 P HA 0.192 nan 4.420 nan 0.000 0.272 78 P C 0.010 177.340 177.300 0.051 0.000 1.240 78 P CA -0.476 62.652 63.100 0.046 0.000 0.791 78 P CB 0.592 32.315 31.700 0.038 0.000 0.978 79 E N -0.296 119.930 120.200 0.044 0.000 2.465 79 E HA 0.421 4.773 4.350 0.003 0.000 0.260 79 E C 0.498 177.124 176.600 0.043 0.000 0.980 79 E CA 1.179 57.605 56.400 0.044 0.000 0.927 79 E CB -0.338 29.382 29.700 0.033 0.000 0.934 79 E HN 0.742 nan 8.360 nan 0.000 0.459 80 G N 3.517 112.348 108.800 0.052 0.000 2.315 80 G HA2 0.080 4.041 3.960 0.003 0.000 0.294 80 G HA3 0.080 4.041 3.960 0.003 0.000 0.294 80 G C -2.279 172.665 174.900 0.075 0.000 1.300 80 G CA -0.558 44.574 45.100 0.052 0.000 0.843 80 G HN 0.352 nan 8.290 nan 0.000 0.527 81 P HA -0.018 nan 4.420 nan 0.000 0.215 81 P C 2.129 179.522 177.300 0.156 0.000 1.153 81 P CA 1.390 64.556 63.100 0.110 0.000 0.853 81 P CB 0.137 31.888 31.700 0.085 0.000 0.788 82 V N -0.067 119.920 119.914 0.120 0.000 2.307 82 V HA -0.226 3.895 4.120 0.003 0.000 0.245 82 V C 2.674 178.869 176.094 0.168 0.000 1.045 82 V CA 1.828 64.205 62.300 0.128 0.000 1.024 82 V CB -0.989 30.882 31.823 0.080 0.000 0.651 82 V HN 0.053 nan 8.190 nan 0.000 0.449 83 R N -0.006 120.577 120.500 0.139 0.000 2.091 83 R HA -0.205 4.137 4.340 0.003 0.000 0.238 83 R C 2.118 178.523 176.300 0.176 0.000 1.136 83 R CA 2.089 58.274 56.100 0.142 0.000 0.959 83 R CB -0.442 29.924 30.300 0.109 0.000 0.856 83 R HN 0.517 nan 8.270 nan 0.000 0.437 84 D N -0.066 120.447 120.400 0.188 0.000 2.116 84 D HA -0.228 4.414 4.640 0.003 0.000 0.193 84 D C 1.580 178.073 176.300 0.322 0.000 0.998 84 D CA 1.361 55.505 54.000 0.240 0.000 0.836 84 D CB -0.390 40.554 40.800 0.240 0.000 0.951 84 D HN 0.207 nan 8.370 nan 0.000 0.449 85 F N 0.770 120.825 119.950 0.175 0.000 2.102 85 F HA -0.100 4.429 4.527 0.003 0.000 0.298 85 F C 2.479 178.323 175.800 0.073 0.000 1.105 85 F CA 1.200 59.276 58.000 0.126 0.000 1.239 85 F CB -0.188 38.855 39.000 0.071 0.000 0.991 85 F HN -0.146 nan 8.300 nan 0.000 0.474 86 M N -0.131 119.540 119.600 0.118 0.000 2.229 86 M HA -0.116 4.365 4.480 0.003 0.000 0.264 86 M C 2.109 178.570 176.300 0.269 0.000 1.063 86 M CA 1.677 57.013 55.300 0.061 0.000 1.114 86 M CB -0.400 32.283 32.600 0.139 0.000 1.387 86 M HN 0.270 nan 8.290 nan 0.000 0.420 87 V N -3.600 116.441 119.914 0.212 0.000 2.878 87 V HA -0.030 4.092 4.120 0.003 0.000 0.250 87 V C 1.013 177.204 176.094 0.161 0.000 1.075 87 V CA 1.347 63.763 62.300 0.192 0.000 1.096 87 V CB -0.367 31.549 31.823 0.156 0.000 0.724 87 V HN 0.234 nan 8.190 nan 0.000 0.467 88 D N 0.400 120.897 120.400 0.162 0.000 2.423 88 D HA 0.205 4.847 4.640 0.003 0.000 0.208 88 D C 0.881 177.194 176.300 0.021 0.000 1.068 88 D CA 0.091 54.166 54.000 0.124 0.000 0.860 88 D CB 0.148 41.097 40.800 0.248 0.000 0.992 88 D HN 0.680 nan 8.370 nan 0.000 0.504 89 F N 0.322 120.059 119.950 -0.355 0.000 2.485 89 F HA 0.110 4.639 4.527 0.004 0.000 0.327 89 F C 1.676 177.331 175.800 -0.241 0.000 1.203 89 F CA -0.984 56.731 58.000 -0.475 0.000 1.295 89 F CB 0.886 39.282 39.000 -1.006 0.000 1.191 89 F HN -0.258 nan 8.300 nan 0.000 0.588 90 L N 1.658 122.636 121.223 -0.409 0.000 2.081 90 L HA -0.234 4.108 4.340 0.003 0.000 0.212 90 L C 2.289 178.975 176.870 -0.305 0.000 1.080 90 L CA 1.909 56.594 54.840 -0.259 0.000 0.754 90 L CB -0.952 41.031 42.059 -0.126 0.000 0.893 90 L HN 0.835 nan 8.230 nan 0.000 0.433 91 Q N -1.872 117.355 119.800 -0.956 0.000 2.369 91 Q HA -0.064 4.277 4.340 0.003 0.000 0.206 91 Q C 1.963 177.585 176.000 -0.631 0.000 0.963 91 Q CA 1.180 56.532 55.803 -0.752 0.000 0.894 91 Q CB 0.025 28.127 28.738 -1.059 0.000 0.965 91 Q HN 0.468 nan 8.270 nan 0.000 0.475 92 S N 0.195 115.475 115.700 -0.700 0.000 2.528 92 S HA 0.129 4.601 4.470 0.003 0.000 0.219 92 S C 0.587 175.161 174.600 -0.044 0.000 0.985 92 S CA 0.117 58.189 58.200 -0.213 0.000 0.914 92 S CB 0.243 63.388 63.200 -0.093 0.000 0.776 92 S HN 0.183 nan 8.310 nan 0.000 0.526 93 L N 1.488 122.711 121.223 0.001 0.000 2.360 93 L HA 0.567 4.909 4.340 0.003 0.000 0.271 93 L C -0.120 176.812 176.870 0.102 0.000 1.057 93 L CA -0.566 54.322 54.840 0.081 0.000 0.803 93 L CB 0.880 43.000 42.059 0.102 0.000 1.207 93 L HN 0.044 nan 8.230 nan 0.000 0.445 94 D N -0.254 120.195 120.400 0.083 0.000 2.636 94 D HA 0.534 5.176 4.640 0.003 0.000 0.275 94 D C 0.130 176.476 176.300 0.077 0.000 1.130 94 D CA 0.422 54.447 54.000 0.041 0.000 1.031 94 D CB 2.055 42.882 40.800 0.045 0.000 1.451 94 D HN 0.702 nan 8.370 nan 0.000 0.505 95 G N 0.273 109.109 108.800 0.060 0.000 2.564 95 G HA2 -0.226 3.736 3.960 0.003 0.000 0.273 95 G HA3 -0.226 3.736 3.960 0.003 0.000 0.273 95 G C 0.959 175.902 174.900 0.072 0.000 1.242 95 G CA 1.190 46.326 45.100 0.059 0.000 0.951 95 G HN 0.729 nan 8.290 nan 0.000 0.564 96 A N -1.188 121.663 122.820 0.052 0.000 1.902 96 A HA -0.000 4.321 4.320 0.003 0.000 0.217 96 A C 2.063 179.671 177.584 0.040 0.000 1.181 96 A CA 2.599 54.660 52.037 0.040 0.000 0.623 96 A CB -0.612 18.407 19.000 0.030 0.000 0.818 96 A HN 0.704 nan 8.150 nan 0.000 0.443 97 D N -1.408 119.024 120.400 0.054 0.000 2.144 97 D HA -0.168 4.473 4.640 0.003 0.000 0.199 97 D C 1.769 178.097 176.300 0.046 0.000 0.984 97 D CA 1.490 55.520 54.000 0.051 0.000 0.834 97 D CB -0.488 40.350 40.800 0.063 0.000 0.955 97 D HN 0.719 nan 8.370 nan 0.000 0.465 98 H N 1.030 120.082 119.070 -0.030 0.000 2.363 98 H HA 0.018 4.576 4.556 0.003 0.000 0.301 98 H C 2.192 177.473 175.328 -0.079 0.000 1.074 98 H CA 1.134 57.136 56.048 -0.077 0.000 1.354 98 H CB 0.238 29.927 29.762 -0.123 0.000 1.397 98 H HN -0.001 nan 8.280 nan 0.000 0.516 99 R N 0.658 121.119 120.500 -0.065 0.000 2.091 99 R HA -0.139 4.202 4.340 0.003 0.000 0.238 99 R C 2.752 178.989 176.300 -0.106 0.000 1.136 99 R CA 1.613 57.656 56.100 -0.095 0.000 0.959 99 R CB -0.155 30.144 30.300 -0.002 0.000 0.856 99 R HN 0.282 nan 8.270 nan 0.000 0.437 100 R N 0.355 120.818 120.500 -0.063 0.000 2.070 100 R HA -0.119 4.222 4.340 0.003 0.000 0.233 100 R C 2.267 178.532 176.300 -0.058 0.000 1.137 100 R CA 1.644 57.719 56.100 -0.040 0.000 0.945 100 R CB -0.327 29.967 30.300 -0.010 0.000 0.845 100 R HN 0.243 nan 8.270 nan 0.000 0.430 101 L N 0.196 121.370 121.223 -0.082 0.000 2.044 101 L HA -0.076 4.266 4.340 0.003 0.000 0.205 101 L C 2.981 179.783 176.870 -0.114 0.000 1.075 101 L CA 1.380 56.175 54.840 -0.076 0.000 0.747 101 L CB -0.505 41.515 42.059 -0.064 0.000 0.903 101 L HN 0.262 nan 8.230 nan 0.000 0.435 102 R N 0.385 120.738 120.500 -0.246 0.000 2.091 102 R HA -0.159 4.183 4.340 0.003 0.000 0.238 102 R C 2.235 178.470 176.300 -0.109 0.000 1.136 102 R CA 1.554 57.507 56.100 -0.246 0.000 0.959 102 R CB -0.562 29.432 30.300 -0.510 0.000 0.856 102 R HN 0.407 nan 8.270 nan 0.000 0.437 103 G N 1.061 109.801 108.800 -0.100 0.000 2.475 103 G HA2 -0.234 3.727 3.960 0.003 0.000 0.220 103 G HA3 -0.234 3.727 3.960 0.003 0.000 0.220 103 G C 1.415 176.317 174.900 0.004 0.000 1.125 103 G CA 0.732 45.812 45.100 -0.033 0.000 0.755 103 G HN 0.285 nan 8.290 nan 0.000 0.565 104 L N 0.099 121.322 121.223 -0.000 0.000 2.376 104 L HA 0.163 4.505 4.340 0.003 0.000 0.219 104 L C 2.808 179.710 176.870 0.053 0.000 1.133 104 L CA 0.696 55.550 54.840 0.023 0.000 0.816 104 L CB -0.028 42.043 42.059 0.021 0.000 0.933 104 L HN 0.312 nan 8.230 nan 0.000 0.449 105 A N -1.355 121.508 122.820 0.071 0.000 2.390 105 A HA 0.104 4.426 4.320 0.003 0.000 0.232 105 A C 2.027 179.761 177.584 0.251 0.000 1.233 105 A CA 0.215 52.343 52.037 0.152 0.000 0.907 105 A CB -0.198 18.886 19.000 0.141 0.000 0.967 105 A HN 0.196 nan 8.150 nan 0.000 0.512 106 T N -1.001 113.655 114.554 0.171 0.000 2.770 106 T HA -0.124 4.227 4.350 0.003 0.000 0.263 106 T C 1.849 176.657 174.700 0.179 0.000 1.039 106 T CA 1.373 63.589 62.100 0.193 0.000 1.142 106 T CB -0.534 68.400 68.868 0.109 0.000 0.868 106 T HN 0.679 nan 8.240 nan 0.000 0.435 107 H N 2.059 121.144 119.070 0.024 0.000 2.289 107 H HA -0.114 4.444 4.556 0.003 0.000 0.294 107 H C -0.847 174.413 175.328 -0.113 0.000 1.095 107 H CA 1.970 57.997 56.048 -0.034 0.000 1.256 107 H CB -0.942 28.791 29.762 -0.048 0.000 1.359 107 H HN 0.253 nan 8.280 nan 0.000 0.487 108 P HA -0.081 nan 4.420 nan 0.000 0.226 108 P C 0.516 177.426 177.300 -0.650 0.000 1.153 108 P CA 1.114 63.840 63.100 -0.624 0.000 0.777 108 P CB -0.334 30.898 31.700 -0.779 0.000 0.794 109 F N -1.247 118.641 119.950 -0.103 0.000 2.695 109 F HA 0.122 4.650 4.527 0.003 0.000 0.303 109 F C 1.288 177.048 175.800 -0.067 0.000 1.091 109 F CA -0.215 57.743 58.000 -0.070 0.000 1.300 109 F CB -1.327 37.648 39.000 -0.041 0.000 1.071 109 F HN -0.220 nan 8.300 nan 0.000 0.578 110 T N -1.813 112.751 114.554 0.016 0.000 2.926 110 T HA 0.079 4.430 4.350 0.003 0.000 0.307 110 T C -1.646 173.047 174.700 -0.012 0.000 1.059 110 T CA -1.422 60.682 62.100 0.006 0.000 1.122 110 T CB 1.189 70.038 68.868 -0.032 0.000 0.972 110 T HN -0.155 nan 8.240 nan 0.000 0.545 111 P HA -0.173 nan 4.420 nan 0.000 0.216 111 P C 1.665 178.956 177.300 -0.015 0.000 1.154 111 P CA 1.159 64.262 63.100 0.006 0.000 0.865 111 P CB 0.041 31.748 31.700 0.013 0.000 0.789 112 R N -0.605 119.879 120.500 -0.026 0.000 2.096 112 R HA -0.108 4.234 4.340 0.003 0.000 0.235 112 R C 2.048 178.307 176.300 -0.067 0.000 1.127 112 R CA 1.253 57.332 56.100 -0.036 0.000 0.968 112 R CB -0.089 30.195 30.300 -0.027 0.000 0.861 112 R HN -0.023 nan 8.270 nan 0.000 0.440 113 R N 0.175 120.601 120.500 -0.124 0.000 2.200 113 R HA 0.037 4.379 4.340 0.003 0.000 0.208 113 R C 1.965 178.191 176.300 -0.123 0.000 1.033 113 R CA 0.469 56.461 56.100 -0.180 0.000 1.000 113 R CB -0.233 29.847 30.300 -0.365 0.000 0.906 113 R HN 0.278 nan 8.270 nan 0.000 0.462 114 I N 0.658 121.185 120.570 -0.071 0.000 2.353 114 I HA -0.143 4.029 4.170 0.003 0.000 0.248 114 I C 1.770 177.882 176.117 -0.008 0.000 1.119 114 I CA 1.253 62.539 61.300 -0.023 0.000 1.417 114 I CB -1.362 36.648 38.000 0.016 0.000 1.078 114 I HN 0.054 nan 8.210 nan 0.000 0.421 115 T N 1.627 116.173 114.554 -0.013 0.000 2.684 115 T HA -0.173 4.179 4.350 0.003 0.000 0.267 115 T C 2.012 176.709 174.700 -0.005 0.000 1.036 115 T CA 1.738 63.836 62.100 -0.004 0.000 1.148 115 T CB -0.309 68.555 68.868 -0.007 0.000 0.863 115 T HN 0.459 nan 8.240 nan 0.000 0.436 116 A N 0.221 123.026 122.820 -0.025 0.000 2.070 116 A HA 0.032 4.354 4.320 0.003 0.000 0.220 116 A C 2.370 179.946 177.584 -0.013 0.000 1.159 116 A CA 0.994 53.016 52.037 -0.026 0.000 0.656 116 A CB -0.601 18.368 19.000 -0.050 0.000 0.800 116 A HN 0.386 nan 8.150 nan 0.000 0.453 117 V N -0.673 119.236 119.914 -0.009 0.000 3.650 117 V HA -0.062 4.059 4.120 0.003 0.000 0.271 117 V C 2.152 178.305 176.094 0.098 0.000 1.281 117 V CA 1.354 63.672 62.300 0.030 0.000 1.120 117 V CB -0.142 31.676 31.823 -0.009 0.000 0.856 117 V HN 0.774 nan 8.190 nan 0.000 0.443 118 Q N 1.013 120.850 119.800 0.062 0.000 2.077 118 Q HA -0.191 4.151 4.340 0.003 0.000 0.206 118 Q C -0.342 175.696 176.000 0.064 0.000 0.989 118 Q CA 2.623 58.463 55.803 0.061 0.000 0.853 118 Q CB -0.751 28.009 28.738 0.036 0.000 0.907 118 Q HN 0.519 nan 8.270 nan 0.000 0.418 119 P HA -0.155 nan 4.420 nan 0.000 0.216 119 P C 0.757 178.099 177.300 0.069 0.000 1.150 119 P CA 1.018 64.150 63.100 0.053 0.000 0.837 119 P CB -0.221 31.511 31.700 0.053 0.000 0.786 120 F N 0.264 120.201 119.950 -0.022 0.000 2.102 120 F HA -0.179 4.349 4.527 0.003 0.000 0.298 120 F C 1.951 177.733 175.800 -0.030 0.000 1.105 120 F CA 1.360 59.343 58.000 -0.029 0.000 1.239 120 F CB -0.807 38.173 39.000 -0.032 0.000 0.991 120 F HN -0.314 nan 8.300 nan 0.000 0.474 121 V N 1.033 120.983 119.914 0.061 0.000 2.343 121 V HA -0.291 3.831 4.120 0.003 0.000 0.247 121 V C 2.563 178.599 176.094 -0.096 0.000 1.051 121 V CA 2.268 64.551 62.300 -0.028 0.000 1.036 121 V CB -0.857 31.018 31.823 0.087 0.000 0.654 121 V HN 0.329 nan 8.190 nan 0.000 0.451 122 R N 0.047 120.516 120.500 -0.050 0.000 2.073 122 R HA -0.186 4.156 4.340 0.003 0.000 0.234 122 R C 2.637 178.880 176.300 -0.097 0.000 1.134 122 R CA 1.939 58.011 56.100 -0.047 0.000 0.952 122 R CB -0.496 29.791 30.300 -0.021 0.000 0.850 122 R HN 0.468 nan 8.270 nan 0.000 0.433 123 S N -0.817 114.796 115.700 -0.145 0.000 2.368 123 S HA -0.115 4.357 4.470 0.003 0.000 0.225 123 S C 1.705 176.149 174.600 -0.260 0.000 1.030 123 S CA 1.849 59.942 58.200 -0.178 0.000 0.999 123 S CB -0.293 62.804 63.200 -0.172 0.000 0.844 123 S HN 0.530 nan 8.310 nan 0.000 0.459 124 T N 1.703 116.007 114.554 -0.418 0.000 2.708 124 T HA -0.061 4.291 4.350 0.003 0.000 0.266 124 T C 1.848 176.363 174.700 -0.309 0.000 1.037 124 T CA 1.529 63.353 62.100 -0.461 0.000 1.146 124 T CB -0.575 67.901 68.868 -0.654 0.000 0.865 124 T HN 0.265 nan 8.240 nan 0.000 0.435 125 V N 1.462 121.251 119.914 -0.209 0.000 2.287 125 V HA -0.207 3.915 4.120 0.003 0.000 0.248 125 V C 2.570 178.667 176.094 0.005 0.000 1.053 125 V CA 1.995 64.257 62.300 -0.064 0.000 1.027 125 V CB -0.614 31.263 31.823 0.091 0.000 0.646 125 V HN 0.563 nan 8.190 nan 0.000 0.447 126 E N -0.175 120.002 120.200 -0.038 0.000 2.070 126 E HA -0.324 4.028 4.350 0.003 0.000 0.197 126 E C 2.265 178.837 176.600 -0.046 0.000 1.004 126 E CA 2.021 58.403 56.400 -0.031 0.000 0.805 126 E CB -0.111 29.558 29.700 -0.052 0.000 0.744 126 E HN 0.705 nan 8.360 nan 0.000 0.451 127 Q N -0.016 119.726 119.800 -0.096 0.000 2.119 127 Q HA -0.107 4.235 4.340 0.003 0.000 0.201 127 Q C 2.460 178.403 176.000 -0.096 0.000 0.972 127 Q CA 1.112 56.852 55.803 -0.105 0.000 0.847 127 Q CB -0.009 28.641 28.738 -0.148 0.000 0.903 127 Q HN 0.362 nan 8.270 nan 0.000 0.433 128 L N 0.214 121.364 121.223 -0.122 0.000 2.093 128 L HA -0.180 4.161 4.340 0.003 0.000 0.208 128 L C 2.215 179.126 176.870 0.069 0.000 1.085 128 L CA 0.920 55.702 54.840 -0.097 0.000 0.755 128 L CB -0.307 41.559 42.059 -0.322 0.000 0.904 128 L HN 0.262 nan 8.230 nan 0.000 0.435 129 I N -0.418 120.227 120.570 0.126 0.000 2.252 129 I HA -0.269 3.902 4.170 0.003 0.000 0.245 129 I C 2.066 178.186 176.117 0.006 0.000 1.102 129 I CA 0.997 62.354 61.300 0.094 0.000 1.385 129 I CB -0.450 37.591 38.000 0.069 0.000 1.064 129 I HN 0.232 nan 8.210 nan 0.000 0.414 130 D N 1.629 122.021 120.400 -0.013 0.000 2.149 130 D HA -0.215 4.427 4.640 0.003 0.000 0.194 130 D C 1.703 177.977 176.300 -0.044 0.000 1.001 130 D CA 1.486 55.467 54.000 -0.032 0.000 0.849 130 D CB -0.194 40.583 40.800 -0.038 0.000 0.939 130 D HN 0.517 nan 8.370 nan 0.000 0.449 131 K N 0.098 120.469 120.400 -0.049 0.000 2.498 131 K HA 0.195 4.517 4.320 0.003 0.000 0.207 131 K C 0.332 176.866 176.600 -0.111 0.000 1.033 131 K CA -0.270 55.979 56.287 -0.063 0.000 1.138 131 K CB 0.131 32.604 32.500 -0.044 0.000 0.860 131 K HN 0.057 nan 8.250 nan 0.000 0.490 132 L N 3.023 124.163 121.223 -0.138 0.000 2.490 132 L HA 0.135 4.476 4.340 0.003 0.000 0.274 132 L C -1.945 174.650 176.870 -0.458 0.000 1.201 132 L CA -1.714 52.930 54.840 -0.327 0.000 0.869 132 L CB 0.102 42.042 42.059 -0.197 0.000 1.123 132 L HN 0.051 nan 8.230 nan 0.000 0.484 133 P HA 0.077 nan 4.420 nan 0.000 0.269 133 P C -1.064 176.049 177.300 -0.312 0.000 1.215 133 P CA -0.321 62.441 63.100 -0.563 0.000 0.780 133 P CB 0.462 31.729 31.700 -0.721 0.000 0.898 134 Q N 0.697 120.435 119.800 -0.104 0.000 2.259 134 Q HA 0.483 4.825 4.340 0.003 0.000 0.246 134 Q C 0.890 176.946 176.000 0.093 0.000 0.920 134 Q CA 0.077 55.891 55.803 0.018 0.000 0.895 134 Q CB 0.863 29.607 28.738 0.010 0.000 1.220 134 Q HN 0.763 nan 8.270 nan 0.000 0.439 135 G N 2.436 111.321 108.800 0.142 0.000 2.525 135 G HA2 -0.220 3.742 3.960 0.003 0.000 0.248 135 G HA3 -0.220 3.742 3.960 0.003 0.000 0.248 135 G C -1.134 173.893 174.900 0.211 0.000 1.238 135 G CA -0.499 44.681 45.100 0.133 0.000 0.926 135 G HN 0.649 nan 8.290 nan 0.000 0.574 136 D N 1.078 121.552 120.400 0.124 0.000 2.304 136 D HA 0.658 5.300 4.640 0.003 0.000 0.250 136 D C 0.311 176.721 176.300 0.184 0.000 1.107 136 D CA 0.944 54.978 54.000 0.056 0.000 0.885 136 D CB 0.829 41.621 40.800 -0.014 0.000 1.192 136 D HN 0.788 nan 8.370 nan 0.000 0.436 137 F N -1.349 118.604 119.950 0.005 0.000 2.713 137 F HA 0.343 4.872 4.527 0.002 0.000 0.311 137 F C -1.091 174.782 175.800 0.122 0.000 1.141 137 F CA -1.439 56.592 58.000 0.051 0.000 0.939 137 F CB 1.045 40.017 39.000 -0.046 0.000 1.325 137 F HN -0.037 nan 8.300 nan 0.000 0.453 138 D N 1.640 122.266 120.400 0.376 0.000 2.336 138 D HA 0.116 4.757 4.640 0.003 0.000 0.249 138 D C 0.471 177.041 176.300 0.450 0.000 1.213 138 D CA -0.212 53.941 54.000 0.256 0.000 0.870 138 D CB 0.493 41.414 40.800 0.202 0.000 1.076 138 D HN 0.565 nan 8.370 nan 0.000 0.483 139 F N 4.139 124.141 119.950 0.087 0.000 2.216 139 F HA -0.167 4.362 4.527 0.003 0.000 0.300 139 F C 1.611 177.600 175.800 0.315 0.000 1.085 139 F CA 1.044 59.198 58.000 0.257 0.000 1.326 139 F CB 0.125 39.144 39.000 0.032 0.000 1.027 139 F HN 0.302 nan 8.300 nan 0.000 0.497 140 V N 0.375 120.419 119.914 0.216 0.000 2.223 140 V HA -0.318 3.804 4.120 0.003 0.000 0.244 140 V C 2.495 178.650 176.094 0.102 0.000 1.045 140 V CA 2.134 64.494 62.300 0.100 0.000 1.000 140 V CB -0.860 30.983 31.823 0.034 0.000 0.635 140 V HN 0.304 nan 8.190 nan 0.000 0.445 141 Q N -0.728 119.128 119.800 0.092 0.000 2.181 141 Q HA -0.193 4.148 4.340 0.003 0.000 0.205 141 Q C 2.085 178.061 176.000 -0.041 0.000 0.980 141 Q CA 1.543 57.361 55.803 0.025 0.000 0.862 141 Q CB -0.313 28.353 28.738 -0.119 0.000 0.905 141 Q HN 0.748 nan 8.270 nan 0.000 0.429 142 H N -2.966 116.208 119.070 0.173 0.000 2.592 142 H HA 0.111 4.669 4.556 0.003 0.000 0.265 142 H C 0.702 176.055 175.328 0.042 0.000 0.955 142 H CA 0.319 56.439 56.048 0.119 0.000 1.175 142 H CB 0.548 30.399 29.762 0.147 0.000 1.433 142 H HN 0.181 nan 8.280 nan 0.000 0.537 143 F N -0.651 119.179 119.950 -0.201 0.000 1.890 143 F HA 0.281 4.809 4.527 0.003 0.000 0.261 143 F C 2.164 177.758 175.800 -0.342 0.000 1.066 143 F CA 0.631 58.399 58.000 -0.388 0.000 1.235 143 F CB -0.298 38.242 39.000 -0.767 0.000 1.548 143 F HN -0.060 nan 8.300 nan 0.000 0.593 144 A N -0.297 122.436 122.820 -0.145 0.000 2.015 144 A HA -0.176 4.145 4.320 0.003 0.000 0.219 144 A C 1.748 179.354 177.584 0.037 0.000 1.163 144 A CA 2.279 54.360 52.037 0.073 0.000 0.646 144 A CB -1.178 17.934 19.000 0.188 0.000 0.806 144 A HN 0.735 nan 8.150 nan 0.000 0.448 145 H N 0.026 119.084 119.070 -0.019 0.000 2.329 145 H HA 0.056 4.614 4.556 0.003 0.000 0.306 145 H C -0.841 174.602 175.328 0.191 0.000 1.062 145 H CA 1.625 57.736 56.048 0.104 0.000 1.364 145 H CB -1.167 28.683 29.762 0.147 0.000 1.409 145 H HN 0.267 nan 8.280 nan 0.000 0.519 146 P HA -0.158 nan 4.420 nan 0.000 0.215 146 P C 1.853 178.953 177.300 -0.332 0.000 1.157 146 P CA 1.285 64.112 63.100 -0.455 0.000 0.868 146 P CB -0.126 31.314 31.700 -0.433 0.000 0.788 147 L N 0.891 121.896 121.223 -0.364 0.000 1.956 147 L HA -0.098 4.244 4.340 0.003 0.000 0.216 147 L C -0.888 175.946 176.870 -0.060 0.000 1.073 147 L CA 2.945 57.603 54.840 -0.303 0.000 0.762 147 L CB -2.413 39.390 42.059 -0.427 0.000 0.889 147 L HN 0.041 nan 8.230 nan 0.000 0.433 148 P HA -0.121 nan 4.420 nan 0.000 0.219 148 P C 1.415 178.884 177.300 0.282 0.000 1.150 148 P CA 1.922 65.118 63.100 0.159 0.000 0.814 148 P CB -0.210 31.564 31.700 0.124 0.000 0.787 149 A N 0.380 123.400 122.820 0.332 0.000 1.877 149 A HA -0.146 4.176 4.320 0.003 0.000 0.216 149 A C 2.403 180.112 177.584 0.208 0.000 1.186 149 A CA 1.492 53.701 52.037 0.286 0.000 0.620 149 A CB -1.647 17.485 19.000 0.221 0.000 0.822 149 A HN 0.128 nan 8.150 nan 0.000 0.443 150 L N -0.692 120.606 121.223 0.124 0.000 2.093 150 L HA -0.137 4.204 4.340 0.003 0.000 0.208 150 L C 2.530 179.557 176.870 0.261 0.000 1.085 150 L CA 0.848 55.773 54.840 0.141 0.000 0.755 150 L CB -0.438 41.595 42.059 -0.043 0.000 0.904 150 L HN 0.241 nan 8.230 nan 0.000 0.435 151 V N -0.540 119.527 119.914 0.254 0.000 2.295 151 V HA -0.311 3.811 4.120 0.003 0.000 0.246 151 V C 2.565 178.737 176.094 0.131 0.000 1.049 151 V CA 1.602 64.062 62.300 0.266 0.000 1.024 151 V CB -0.385 31.575 31.823 0.228 0.000 0.648 151 V HN 0.363 nan 8.190 nan 0.000 0.447 152 M N -1.157 118.540 119.600 0.162 0.000 2.159 152 M HA -0.162 4.320 4.480 0.003 0.000 0.263 152 M C 2.353 178.672 176.300 0.031 0.000 1.063 152 M CA 1.528 56.905 55.300 0.130 0.000 1.110 152 M CB -1.884 30.837 32.600 0.202 0.000 1.374 152 M HN 0.443 nan 8.290 nan 0.000 0.411 153 C N 0.166 119.538 119.300 0.119 0.000 2.413 153 C HA -0.190 4.272 4.460 0.003 0.000 0.276 153 C C 2.885 177.828 174.990 -0.077 0.000 1.236 153 C CA 1.250 60.343 59.018 0.126 0.000 1.735 153 C CB -1.093 26.804 27.740 0.262 0.000 2.031 153 C HN 0.569 nan 8.230 nan 0.000 0.474 154 Q N 0.318 120.047 119.800 -0.119 0.000 2.124 154 Q HA -0.105 4.236 4.340 0.003 0.000 0.202 154 Q C 1.867 177.673 176.000 -0.323 0.000 0.977 154 Q CA 1.703 57.309 55.803 -0.328 0.000 0.850 154 Q CB -0.361 27.898 28.738 -0.799 0.000 0.901 154 Q HN 0.473 nan 8.270 nan 0.000 0.429 155 L N -0.610 120.455 121.223 -0.264 0.000 2.109 155 L HA 0.011 4.353 4.340 0.003 0.000 0.207 155 L C 1.823 178.520 176.870 -0.288 0.000 1.086 155 L CA 1.358 56.042 54.840 -0.261 0.000 0.760 155 L CB -0.487 41.461 42.059 -0.185 0.000 0.910 155 L HN 0.262 nan 8.230 nan 0.000 0.437 156 L N -1.119 119.867 121.223 -0.396 0.000 2.592 156 L HA 0.235 4.577 4.340 0.003 0.000 0.227 156 L C 1.307 177.752 176.870 -0.709 0.000 1.127 156 L CA 0.525 54.994 54.840 -0.619 0.000 0.884 156 L CB -0.339 41.133 42.059 -0.980 0.000 1.065 156 L HN 0.474 nan 8.230 nan 0.000 0.457 157 G N -0.371 108.161 108.800 -0.447 0.000 2.143 157 G HA2 -0.293 3.669 3.960 0.003 0.000 0.248 157 G HA3 -0.293 3.669 3.960 0.003 0.000 0.248 157 G C 0.079 174.953 174.900 -0.043 0.000 0.991 157 G CA -0.312 44.657 45.100 -0.218 0.000 0.689 157 G HN 0.120 nan 8.290 nan 0.000 0.522 158 F N 0.711 120.687 119.950 0.043 0.000 2.418 158 F HA 0.504 5.033 4.527 0.004 0.000 0.341 158 F C -1.376 174.472 175.800 0.080 0.000 1.120 158 F CA -3.169 54.886 58.000 0.091 0.000 1.232 158 F CB -0.095 39.023 39.000 0.196 0.000 1.175 158 F HN -0.156 nan 8.300 nan 0.000 0.569 159 P HA 0.064 nan 4.420 nan 0.000 0.265 159 P C 0.899 178.326 177.300 0.211 0.000 1.193 159 P CA 0.185 63.398 63.100 0.188 0.000 0.765 159 P CB 0.513 32.304 31.700 0.151 0.000 0.823 160 L N 2.695 124.024 121.223 0.176 0.000 2.201 160 L HA -0.166 4.176 4.340 0.003 0.000 0.212 160 L C 2.121 179.144 176.870 0.255 0.000 1.105 160 L CA 1.378 56.339 54.840 0.202 0.000 0.775 160 L CB -0.802 41.359 42.059 0.170 0.000 0.913 160 L HN 0.520 nan 8.230 nan 0.000 0.440 161 E N -0.451 119.871 120.200 0.204 0.000 2.409 161 E HA -0.206 4.146 4.350 0.003 0.000 0.198 161 E C 0.630 177.319 176.600 0.149 0.000 1.024 161 E CA 1.001 57.523 56.400 0.203 0.000 0.861 161 E CB -0.150 29.623 29.700 0.122 0.000 0.788 161 E HN 0.403 nan 8.360 nan 0.000 0.521 162 D N 0.560 121.048 120.400 0.148 0.000 2.340 162 D HA -0.039 4.603 4.640 0.003 0.000 0.220 162 D C 1.296 177.572 176.300 -0.040 0.000 1.039 162 D CA 0.180 54.207 54.000 0.044 0.000 0.866 162 D CB -0.218 40.664 40.800 0.137 0.000 0.913 162 D HN 0.516 nan 8.370 nan 0.000 0.523 163 Y N 0.493 120.798 120.300 0.008 0.000 2.193 163 Y HA -0.208 4.345 4.550 0.004 0.000 0.285 163 Y C 1.772 177.658 175.900 -0.023 0.000 1.166 163 Y CA 1.447 59.537 58.100 -0.017 0.000 1.181 163 Y CB -0.650 37.790 38.460 -0.033 0.000 0.976 163 Y HN -0.157 nan 8.280 nan 0.000 0.520 164 D N 0.192 119.988 120.400 -1.007 0.000 2.103 164 D HA -0.129 4.513 4.640 0.003 0.000 0.199 164 D C 2.009 178.117 176.300 -0.320 0.000 0.978 164 D CA 2.190 55.825 54.000 -0.608 0.000 0.829 164 D CB -0.184 40.194 40.800 -0.705 0.000 0.981 164 D HN 0.421 nan 8.370 nan 0.000 0.464 165 T N -0.532 113.818 114.554 -0.340 0.000 2.684 165 T HA -0.143 4.209 4.350 0.003 0.000 0.267 165 T C 2.064 176.503 174.700 -0.435 0.000 1.036 165 T CA 1.249 63.146 62.100 -0.337 0.000 1.148 165 T CB -0.442 68.239 68.868 -0.312 0.000 0.863 165 T HN -0.020 nan 8.240 nan 0.000 0.436 166 V N 1.373 121.003 119.914 -0.474 0.000 2.287 166 V HA -0.136 3.986 4.120 0.003 0.000 0.248 166 V C 2.873 178.697 176.094 -0.451 0.000 1.053 166 V CA 2.069 64.063 62.300 -0.510 0.000 1.027 166 V CB -1.407 30.227 31.823 -0.316 0.000 0.646 166 V HN 0.610 nan 8.190 nan 0.000 0.447 167 G N -0.492 108.072 108.800 -0.394 0.000 2.446 167 G HA2 -0.318 3.644 3.960 0.003 0.000 0.217 167 G HA3 -0.318 3.644 3.960 0.003 0.000 0.217 167 G C 1.721 176.326 174.900 -0.492 0.000 1.168 167 G CA 1.022 45.728 45.100 -0.657 0.000 0.771 167 G HN 0.439 nan 8.290 nan 0.000 0.551 168 R N -0.017 120.281 120.500 -0.336 0.000 2.081 168 R HA 0.059 4.400 4.340 0.003 0.000 0.235 168 R C 2.562 178.719 176.300 -0.239 0.000 1.131 168 R CA 1.039 56.979 56.100 -0.266 0.000 0.960 168 R CB -0.363 29.792 30.300 -0.242 0.000 0.856 168 R HN 0.401 nan 8.270 nan 0.000 0.436 169 L N 0.156 121.204 121.223 -0.292 0.000 2.083 169 L HA -0.153 4.188 4.340 0.003 0.000 0.209 169 L C 2.683 179.406 176.870 -0.244 0.000 1.083 169 L CA 1.390 56.067 54.840 -0.272 0.000 0.752 169 L CB -0.416 41.437 42.059 -0.343 0.000 0.899 169 L HN 0.273 nan 8.230 nan 0.000 0.433 170 S N 0.191 115.730 115.700 -0.269 0.000 2.368 170 S HA -0.113 4.359 4.470 0.003 0.000 0.224 170 S C 1.964 176.533 174.600 -0.051 0.000 1.029 170 S CA 1.012 59.109 58.200 -0.172 0.000 0.988 170 S CB -0.159 62.915 63.200 -0.209 0.000 0.838 170 S HN 0.297 nan 8.310 nan 0.000 0.462 171 I N 1.248 121.806 120.570 -0.020 0.000 2.252 171 I HA -0.106 4.066 4.170 0.003 0.000 0.245 171 I C 2.236 178.342 176.117 -0.018 0.000 1.102 171 I CA 1.345 62.674 61.300 0.048 0.000 1.385 171 I CB -0.313 37.722 38.000 0.058 0.000 1.064 171 I HN 0.338 nan 8.210 nan 0.000 0.414 172 E N 0.170 120.329 120.200 -0.069 0.000 2.511 172 E HA -0.114 4.237 4.350 0.003 0.000 0.196 172 E C 1.892 178.438 176.600 -0.090 0.000 1.066 172 E CA 1.111 57.467 56.400 -0.074 0.000 0.871 172 E CB -0.056 29.590 29.700 -0.089 0.000 0.863 172 E HN 0.608 nan 8.360 nan 0.000 0.520 173 T N -1.310 113.175 114.554 -0.115 0.000 2.951 173 T HA -0.110 4.242 4.350 0.003 0.000 0.268 173 T C 1.000 175.637 174.700 -0.105 0.000 1.073 173 T CA 0.156 62.165 62.100 -0.153 0.000 1.134 173 T CB -0.072 68.654 68.868 -0.237 0.000 0.884 173 T HN 0.031 nan 8.240 nan 0.000 0.479 174 N N 0.923 119.588 118.700 -0.057 0.000 2.716 174 N HA -0.136 4.606 4.740 0.003 0.000 0.250 174 N C 0.625 176.122 175.510 -0.022 0.000 1.033 174 N CA 0.587 53.624 53.050 -0.023 0.000 0.727 174 N CB -1.540 36.939 38.487 -0.013 0.000 0.950 174 N HN 0.507 nan 8.380 nan 0.000 0.541 175 L N -0.987 120.213 121.223 -0.038 0.000 2.265 175 L HA -0.088 4.254 4.340 0.003 0.000 0.215 175 L C 2.432 179.315 176.870 0.022 0.000 1.117 175 L CA 1.470 56.292 54.840 -0.030 0.000 0.782 175 L CB -0.276 41.750 42.059 -0.055 0.000 0.914 175 L HN 0.357 nan 8.230 nan 0.000 0.441 176 G N -0.256 108.561 108.800 0.029 0.000 2.509 176 G HA2 -0.108 3.854 3.960 0.003 0.000 0.218 176 G HA3 -0.108 3.854 3.960 0.003 0.000 0.218 176 G C 1.440 176.374 174.900 0.056 0.000 1.124 176 G CA 0.234 45.362 45.100 0.046 0.000 0.776 176 G HN 0.324 nan 8.290 nan 0.000 0.547 177 L N 0.031 121.281 121.223 0.045 0.000 2.693 177 L HA 0.317 4.659 4.340 0.003 0.000 0.235 177 L C 2.735 179.636 176.870 0.051 0.000 1.127 177 L CA 0.303 55.173 54.840 0.049 0.000 0.914 177 L CB 0.380 42.462 42.059 0.039 0.000 1.193 177 L HN 0.194 nan 8.230 nan 0.000 0.502 178 A N 0.022 122.874 122.820 0.053 0.000 2.119 178 A HA 0.031 4.353 4.320 0.003 0.000 0.217 178 A C 1.369 179.003 177.584 0.083 0.000 1.153 178 A CA 0.520 52.591 52.037 0.057 0.000 0.692 178 A CB -0.333 18.695 19.000 0.046 0.000 0.799 178 A HN 0.326 nan 8.150 nan 0.000 0.458 179 L N 1.168 122.449 121.223 0.097 0.000 2.391 179 L HA 0.238 4.579 4.340 0.003 0.000 0.249 179 L C 0.302 177.223 176.870 0.085 0.000 1.308 179 L CA -0.173 54.731 54.840 0.108 0.000 1.209 179 L CB -0.315 41.820 42.059 0.126 0.000 1.401 179 L HN 0.260 nan 8.230 nan 0.000 0.416 180 S N 0.161 115.906 115.700 0.073 0.000 2.607 180 S HA 0.352 4.823 4.470 0.003 0.000 0.273 180 S C 0.320 174.952 174.600 0.054 0.000 1.148 180 S CA -0.800 57.435 58.200 0.058 0.000 0.833 180 S CB 1.289 64.519 63.200 0.049 0.000 1.130 180 S HN 0.611 nan 8.310 nan 0.000 0.470 181 N N 1.093 119.820 118.700 0.045 0.000 2.220 181 N HA 0.056 4.798 4.740 0.003 0.000 0.195 181 N C -0.366 175.163 175.510 0.032 0.000 1.123 181 N CA -0.194 52.880 53.050 0.040 0.000 0.874 181 N CB -0.160 38.349 38.487 0.037 0.000 0.995 181 N HN 0.544 nan 8.380 nan 0.000 0.498 182 D N 2.324 122.742 120.400 0.030 0.000 2.450 182 D HA -0.070 4.572 4.640 0.003 0.000 0.247 182 D C 1.543 177.857 176.300 0.024 0.000 1.162 182 D CA 0.022 54.037 54.000 0.025 0.000 0.879 182 D CB 1.122 41.936 40.800 0.023 0.000 1.163 182 D HN 0.338 nan 8.370 nan 0.000 0.472 183 Q N 2.454 122.266 119.800 0.021 0.000 2.172 183 Q HA -0.149 4.193 4.340 0.003 0.000 0.200 183 Q C 0.584 176.595 176.000 0.017 0.000 0.964 183 Q CA 0.877 56.692 55.803 0.019 0.000 0.855 183 Q CB 0.078 28.826 28.738 0.017 0.000 0.918 183 Q HN 0.421 nan 8.270 nan 0.000 0.444 184 D N 1.363 121.772 120.400 0.015 0.000 2.097 184 D HA -0.088 4.554 4.640 0.003 0.000 0.197 184 D C 2.020 178.328 176.300 0.014 0.000 0.984 184 D CA 0.886 54.894 54.000 0.013 0.000 0.826 184 D CB 0.019 40.826 40.800 0.012 0.000 0.973 184 D HN 0.251 nan 8.370 nan 0.000 0.460 185 I N 0.851 121.431 120.570 0.018 0.000 2.252 185 I HA -0.164 4.008 4.170 0.003 0.000 0.245 185 I C 2.532 178.660 176.117 0.018 0.000 1.102 185 I CA 0.684 61.995 61.300 0.020 0.000 1.385 185 I CB -0.986 37.029 38.000 0.026 0.000 1.064 185 I HN 0.057 nan 8.210 nan 0.000 0.414 186 L N -0.148 121.088 121.223 0.022 0.000 2.141 186 L HA -0.164 4.178 4.340 0.003 0.000 0.209 186 L C 2.659 179.540 176.870 0.018 0.000 1.094 186 L CA 0.659 55.513 54.840 0.024 0.000 0.763 186 L CB -0.491 41.587 42.059 0.031 0.000 0.908 186 L HN 0.034 nan 8.230 nan 0.000 0.437 187 V N 0.130 120.053 119.914 0.015 0.000 2.287 187 V HA -0.340 3.782 4.120 0.003 0.000 0.248 187 V C 2.577 178.673 176.094 0.004 0.000 1.053 187 V CA 1.930 64.236 62.300 0.010 0.000 1.027 187 V CB -0.432 31.396 31.823 0.009 0.000 0.646 187 V HN 0.418 nan 8.190 nan 0.000 0.447 188 K N -0.364 120.037 120.400 0.002 0.000 2.026 188 K HA -0.160 4.162 4.320 0.003 0.000 0.208 188 K C 2.031 178.621 176.600 -0.016 0.000 1.048 188 K CA 1.681 57.964 56.287 -0.006 0.000 0.929 188 K CB -0.229 32.269 32.500 -0.002 0.000 0.713 188 K HN 0.326 nan 8.250 nan 0.000 0.439 189 V N 1.339 121.245 119.914 -0.013 0.000 2.295 189 V HA -0.257 3.864 4.120 0.003 0.000 0.246 189 V C 2.309 178.382 176.094 -0.034 0.000 1.049 189 V CA 2.189 64.471 62.300 -0.029 0.000 1.024 189 V CB -0.529 31.286 31.823 -0.015 0.000 0.648 189 V HN 0.471 nan 8.190 nan 0.000 0.447 190 E N -0.231 119.965 120.200 -0.007 0.000 2.085 190 E HA -0.299 4.053 4.350 0.003 0.000 0.194 190 E C 2.314 178.916 176.600 0.004 0.000 0.994 190 E CA 1.694 58.100 56.400 0.009 0.000 0.801 190 E CB -0.102 29.611 29.700 0.023 0.000 0.743 190 E HN 0.673 nan 8.360 nan 0.000 0.453 191 Q N -0.664 119.132 119.800 -0.007 0.000 2.084 191 Q HA -0.132 4.210 4.340 0.003 0.000 0.202 191 Q C 2.185 178.167 176.000 -0.031 0.000 0.978 191 Q CA 1.330 57.126 55.803 -0.012 0.000 0.844 191 Q CB -0.197 28.533 28.738 -0.014 0.000 0.898 191 Q HN 0.410 nan 8.270 nan 0.000 0.426 192 G N 0.477 109.244 108.800 -0.055 0.000 2.394 192 G HA2 -0.186 3.776 3.960 0.003 0.000 0.215 192 G HA3 -0.186 3.776 3.960 0.003 0.000 0.215 192 G C 1.385 176.203 174.900 -0.137 0.000 1.165 192 G CA 0.290 45.334 45.100 -0.094 0.000 0.784 192 G HN 0.159 nan 8.290 nan 0.000 0.535 193 L N 0.763 121.906 121.223 -0.134 0.000 2.017 193 L HA 0.003 4.345 4.340 0.003 0.000 0.208 193 L C 3.196 180.077 176.870 0.018 0.000 1.073 193 L CA 1.081 55.815 54.840 -0.175 0.000 0.745 193 L CB -0.724 41.274 42.059 -0.102 0.000 0.894 193 L HN 0.328 nan 8.230 nan 0.000 0.432 194 G N -0.328 108.527 108.800 0.091 0.000 2.491 194 G HA2 -0.279 3.683 3.960 0.003 0.000 0.218 194 G HA3 -0.279 3.683 3.960 0.003 0.000 0.218 194 G C 1.729 176.678 174.900 0.082 0.000 1.180 194 G CA 0.618 45.798 45.100 0.133 0.000 0.774 194 G HN 0.256 nan 8.290 nan 0.000 0.562 195 R N -0.821 119.680 120.500 0.002 0.000 2.096 195 R HA -0.061 4.280 4.340 0.003 0.000 0.235 195 R C 2.521 178.789 176.300 -0.053 0.000 1.127 195 R CA 1.641 57.725 56.100 -0.026 0.000 0.968 195 R CB -0.351 29.914 30.300 -0.058 0.000 0.861 195 R HN 0.470 nan 8.270 nan 0.000 0.440 196 M N -0.053 119.464 119.600 -0.138 0.000 2.086 196 M HA -0.107 4.375 4.480 0.003 0.000 0.261 196 M C 1.483 177.681 176.300 -0.170 0.000 1.067 196 M CA 1.752 56.910 55.300 -0.236 0.000 1.116 196 M CB -0.326 32.019 32.600 -0.425 0.000 1.348 196 M HN -0.040 nan 8.290 nan 0.000 0.407 197 F N 0.958 120.882 119.950 -0.042 0.000 2.216 197 F HA -0.154 4.373 4.527 0.001 0.000 0.300 197 F C 2.020 177.815 175.800 -0.009 0.000 1.085 197 F CA 1.421 59.410 58.000 -0.019 0.000 1.326 197 F CB -1.082 37.906 39.000 -0.020 0.000 1.027 197 F HN 0.231 nan 8.300 nan 0.000 0.497 198 D N -1.047 119.449 120.400 0.159 0.000 2.104 198 D HA -0.261 4.381 4.640 0.003 0.000 0.194 198 D C 2.070 178.400 176.300 0.051 0.000 0.994 198 D CA 1.459 55.509 54.000 0.084 0.000 0.830 198 D CB -0.787 40.046 40.800 0.056 0.000 0.959 198 D HN 0.343 nan 8.370 nan 0.000 0.452 199 Y N 0.686 120.935 120.300 -0.085 0.000 2.163 199 Y HA -0.163 4.388 4.550 0.002 0.000 0.288 199 Y C 2.085 177.885 175.900 -0.167 0.000 1.136 199 Y CA 1.023 59.028 58.100 -0.159 0.000 1.147 199 Y CB -0.252 38.063 38.460 -0.242 0.000 0.987 199 Y HN -0.135 nan 8.280 nan 0.000 0.509 200 L N -0.586 120.656 121.223 0.032 0.000 2.017 200 L HA -0.193 4.149 4.340 0.003 0.000 0.208 200 L C 2.490 179.362 176.870 0.003 0.000 1.073 200 L CA 1.392 56.246 54.840 0.024 0.000 0.745 200 L CB -1.268 40.868 42.059 0.128 0.000 0.894 200 L HN 0.167 nan 8.230 nan 0.000 0.432 201 V N -0.435 119.503 119.914 0.040 0.000 2.407 201 V HA -0.286 3.836 4.120 0.003 0.000 0.248 201 V C 2.692 178.752 176.094 -0.057 0.000 1.055 201 V CA 1.462 63.765 62.300 0.006 0.000 1.049 201 V CB -1.149 30.691 31.823 0.028 0.000 0.662 201 V HN 0.502 nan 8.190 nan 0.000 0.455 202 A N 0.100 122.856 122.820 -0.107 0.000 1.908 202 A HA -0.159 4.162 4.320 0.003 0.000 0.218 202 A C 2.435 179.918 177.584 -0.168 0.000 1.181 202 A CA 2.241 54.189 52.037 -0.148 0.000 0.627 202 A CB -0.788 18.089 19.000 -0.205 0.000 0.818 202 A HN 0.574 nan 8.150 nan 0.000 0.445 203 A N -0.225 122.451 122.820 -0.240 0.000 1.898 203 A HA -0.048 4.273 4.320 0.003 0.000 0.216 203 A C 2.126 179.701 177.584 -0.014 0.000 1.181 203 A CA 1.481 53.440 52.037 -0.129 0.000 0.620 203 A CB -0.601 18.345 19.000 -0.090 0.000 0.819 203 A HN 0.488 nan 8.150 nan 0.000 0.442 204 I N -0.221 120.341 120.570 -0.013 0.000 2.179 204 I HA -0.230 3.942 4.170 0.003 0.000 0.242 204 I C 2.395 178.481 176.117 -0.052 0.000 1.088 204 I CA 1.366 62.648 61.300 -0.030 0.000 1.357 204 I CB -0.315 37.650 38.000 -0.058 0.000 1.051 204 I HN 0.275 nan 8.210 nan 0.000 0.409 205 E N 0.735 120.904 120.200 -0.052 0.000 2.150 205 E HA -0.234 4.118 4.350 0.003 0.000 0.193 205 E C 2.027 178.624 176.600 -0.005 0.000 0.985 205 E CA 0.906 57.287 56.400 -0.031 0.000 0.814 205 E CB -0.257 29.426 29.700 -0.029 0.000 0.752 205 E HN 0.455 nan 8.360 nan 0.000 0.466 206 K N 0.728 121.119 120.400 -0.014 0.000 2.025 206 K HA -0.108 4.214 4.320 0.003 0.000 0.207 206 K C 1.978 178.590 176.600 0.021 0.000 1.049 206 K CA 0.786 57.073 56.287 -0.001 0.000 0.933 206 K CB 0.170 32.661 32.500 -0.015 0.000 0.714 206 K HN -0.108 nan 8.250 nan 0.000 0.438 207 R N 1.012 121.524 120.500 0.021 0.000 2.189 207 R HA -0.055 4.287 4.340 0.003 0.000 0.223 207 R C 1.946 178.290 176.300 0.073 0.000 1.092 207 R CA 0.977 57.098 56.100 0.035 0.000 0.989 207 R CB -0.206 30.106 30.300 0.020 0.000 0.876 207 R HN 0.269 nan 8.270 nan 0.000 0.457 208 K N 0.448 120.896 120.400 0.080 0.000 2.211 208 K HA -0.068 4.254 4.320 0.003 0.000 0.203 208 K C 1.879 178.618 176.600 0.231 0.000 1.050 208 K CA 1.454 57.862 56.287 0.202 0.000 0.945 208 K CB 0.203 32.795 32.500 0.153 0.000 0.732 208 K HN 0.151 nan 8.250 nan 0.000 0.451 209 V N -2.543 117.442 119.914 0.118 0.000 3.455 209 V HA 0.157 4.278 4.120 0.003 0.000 0.250 209 V C 0.241 176.367 176.094 0.054 0.000 1.230 209 V CA 0.037 62.383 62.300 0.077 0.000 1.105 209 V CB 0.440 32.294 31.823 0.051 0.000 0.850 209 V HN -0.008 nan 8.190 nan 0.000 0.461 210 E N 2.472 122.702 120.200 0.051 0.000 2.914 210 E HA 0.443 4.795 4.350 0.003 0.000 0.246 210 E C -2.781 173.842 176.600 0.038 0.000 1.146 210 E CA -2.084 54.338 56.400 0.036 0.000 0.803 210 E CB 1.380 31.094 29.700 0.023 0.000 1.409 210 E HN 0.453 nan 8.360 nan 0.000 0.392 211 P HA 0.373 nan 4.420 nan 0.000 0.274 211 P C 0.044 177.356 177.300 0.019 0.000 1.246 211 P CA -0.234 62.891 63.100 0.041 0.000 0.795 211 P CB 1.683 33.421 31.700 0.064 0.000 1.006 212 G N 0.010 108.814 108.800 0.006 0.000 3.247 212 G HA2 0.313 4.275 3.960 0.003 0.000 0.226 212 G HA3 0.313 4.275 3.960 0.003 0.000 0.226 212 G C -0.549 174.340 174.900 -0.019 0.000 1.220 212 G CA -0.323 44.771 45.100 -0.009 0.000 0.875 212 G HN 0.303 nan 8.290 nan 0.000 0.606 213 D N 0.461 120.840 120.400 -0.034 0.000 2.349 213 D HA 0.135 4.777 4.640 0.003 0.000 0.214 213 D C 0.635 176.898 176.300 -0.061 0.000 1.063 213 D CA -0.066 53.910 54.000 -0.040 0.000 0.847 213 D CB 0.284 41.060 40.800 -0.040 0.000 0.933 213 D HN 0.466 nan 8.370 nan 0.000 0.513 214 D N 0.081 120.434 120.400 -0.078 0.000 2.414 214 D HA -0.037 4.605 4.640 0.003 0.000 0.251 214 D C 1.364 177.601 176.300 -0.105 0.000 1.252 214 D CA -0.605 53.323 54.000 -0.120 0.000 0.999 214 D CB 1.623 42.334 40.800 -0.149 0.000 1.093 214 D HN -0.119 nan 8.370 nan 0.000 0.515 215 L N 0.268 121.407 121.223 -0.141 0.000 2.072 215 L HA -0.114 4.228 4.340 0.003 0.000 0.205 215 L C 2.340 179.174 176.870 -0.060 0.000 1.079 215 L CA 1.901 56.682 54.840 -0.099 0.000 0.752 215 L CB -1.079 40.914 42.059 -0.111 0.000 0.906 215 L HN 0.543 nan 8.230 nan 0.000 0.436 216 T N -0.910 113.590 114.554 -0.090 0.000 2.720 216 T HA -0.170 4.182 4.350 0.003 0.000 0.268 216 T C 1.999 176.685 174.700 -0.023 0.000 1.037 216 T CA 1.688 63.765 62.100 -0.038 0.000 1.144 216 T CB -0.342 68.512 68.868 -0.023 0.000 0.864 216 T HN 0.386 nan 8.240 nan 0.000 0.444 217 S N 1.212 116.894 115.700 -0.031 0.000 2.368 217 S HA -0.138 4.334 4.470 0.003 0.000 0.225 217 S C 1.886 176.486 174.600 -0.001 0.000 1.030 217 S CA 1.135 59.330 58.200 -0.009 0.000 0.999 217 S CB -0.473 62.720 63.200 -0.012 0.000 0.844 217 S HN 0.490 nan 8.310 nan 0.000 0.459 218 D N 1.459 121.852 120.400 -0.012 0.000 2.104 218 D HA -0.075 4.566 4.640 0.003 0.000 0.194 218 D C 1.837 178.143 176.300 0.011 0.000 0.994 218 D CA 1.023 55.021 54.000 -0.004 0.000 0.830 218 D CB -0.412 40.382 40.800 -0.009 0.000 0.959 218 D HN 0.373 nan 8.370 nan 0.000 0.452 219 I N 0.442 121.018 120.570 0.011 0.000 2.315 219 I HA -0.191 3.981 4.170 0.003 0.000 0.248 219 I C 2.439 178.573 176.117 0.027 0.000 1.117 219 I CA 0.396 61.711 61.300 0.025 0.000 1.404 219 I CB -0.089 37.927 38.000 0.027 0.000 1.071 219 I HN -0.129 nan 8.210 nan 0.000 0.419 220 V N 0.809 120.716 119.914 -0.011 0.000 2.407 220 V HA -0.278 3.844 4.120 0.003 0.000 0.248 220 V C 2.599 178.660 176.094 -0.056 0.000 1.055 220 V CA 1.825 64.085 62.300 -0.067 0.000 1.049 220 V CB -0.701 31.060 31.823 -0.102 0.000 0.662 220 V HN 0.366 nan 8.190 nan 0.000 0.455 221 R N -0.290 120.229 120.500 0.033 0.000 2.096 221 R HA -0.139 4.203 4.340 0.003 0.000 0.235 221 R C 2.380 178.736 176.300 0.092 0.000 1.127 221 R CA 1.481 57.644 56.100 0.104 0.000 0.968 221 R CB -0.485 29.863 30.300 0.080 0.000 0.861 221 R HN 0.550 nan 8.270 nan 0.000 0.440 222 A N 0.317 123.178 122.820 0.067 0.000 1.930 222 A HA -0.179 4.142 4.320 0.003 0.000 0.217 222 A C 1.895 179.528 177.584 0.081 0.000 1.175 222 A CA 0.966 53.040 52.037 0.062 0.000 0.627 222 A CB -0.563 18.469 19.000 0.053 0.000 0.815 222 A HN 0.428 nan 8.150 nan 0.000 0.443 223 F N 0.201 120.114 119.950 -0.061 0.000 2.186 223 F HA -0.182 4.347 4.527 0.003 0.000 0.299 223 F C 2.249 178.032 175.800 -0.029 0.000 1.090 223 F CA 2.004 59.959 58.000 -0.074 0.000 1.307 223 F CB -0.261 38.653 39.000 -0.144 0.000 1.019 223 F HN 0.343 nan 8.300 nan 0.000 0.489 224 H N -0.832 118.225 119.070 -0.021 0.000 2.491 224 H HA -0.074 4.484 4.556 0.003 0.000 0.290 224 H C 1.222 176.471 175.328 -0.132 0.000 1.050 224 H CA 1.488 57.464 56.048 -0.120 0.000 1.309 224 H CB -0.506 29.269 29.762 0.022 0.000 1.392 224 H HN 0.357 nan 8.280 nan 0.000 0.554 225 D N -0.619 119.796 120.400 0.025 0.000 2.339 225 D HA 0.076 4.718 4.640 0.003 0.000 0.217 225 D C 1.190 177.463 176.300 -0.046 0.000 1.050 225 D CA 0.596 54.594 54.000 -0.004 0.000 0.856 225 D CB 0.034 40.844 40.800 0.016 0.000 0.922 225 D HN 0.439 nan 8.370 nan 0.000 0.518 226 G N 0.167 108.903 108.800 -0.106 0.000 2.198 226 G HA2 -0.288 3.674 3.960 0.003 0.000 0.260 226 G HA3 -0.288 3.674 3.960 0.003 0.000 0.260 226 G C 1.121 175.996 174.900 -0.042 0.000 1.025 226 G CA 0.574 45.608 45.100 -0.110 0.000 0.769 226 G HN 0.303 nan 8.290 nan 0.000 0.507 227 V N -0.246 119.661 119.914 -0.012 0.000 2.535 227 V HA 0.324 4.445 4.120 0.003 0.000 0.246 227 V C 1.414 177.532 176.094 0.040 0.000 1.045 227 V CA 2.088 64.397 62.300 0.015 0.000 1.058 227 V CB -0.254 31.582 31.823 0.021 0.000 0.689 227 V HN 0.896 nan 8.190 nan 0.000 0.461 228 L N -0.860 120.408 121.223 0.075 0.000 2.424 228 L HA 0.766 5.108 4.340 0.003 0.000 0.258 228 L C -1.106 175.893 176.870 0.215 0.000 0.995 228 L CA -1.054 53.859 54.840 0.121 0.000 0.821 228 L CB 2.126 44.253 42.059 0.114 0.000 1.383 228 L HN 0.193 nan 8.230 nan 0.000 0.410 229 D N -0.264 120.269 120.400 0.221 0.000 2.451 229 D HA 0.150 4.791 4.640 0.003 0.000 0.259 229 D C 0.348 176.868 176.300 0.366 0.000 1.201 229 D CA -0.200 53.988 54.000 0.314 0.000 1.028 229 D CB 0.677 41.607 40.800 0.217 0.000 1.095 229 D HN 0.725 nan 8.370 nan 0.000 0.539 230 D N -1.865 118.750 120.400 0.359 0.000 2.144 230 D HA -0.191 4.451 4.640 0.003 0.000 0.200 230 D C 1.583 177.914 176.300 0.051 0.000 0.978 230 D CA 0.940 54.972 54.000 0.053 0.000 0.833 230 D CB -0.373 40.459 40.800 0.055 0.000 0.961 230 D HN 0.498 nan 8.370 nan 0.000 0.470 231 Y N 1.494 121.802 120.300 0.014 0.000 2.163 231 Y HA -0.094 4.457 4.550 0.002 0.000 0.288 231 Y C 2.011 177.930 175.900 0.033 0.000 1.136 231 Y CA 1.792 59.886 58.100 -0.010 0.000 1.147 231 Y CB -0.220 38.239 38.460 -0.002 0.000 0.987 231 Y HN -0.020 nan 8.280 nan 0.000 0.509 232 E N 0.387 120.595 120.200 0.014 0.000 2.110 232 E HA -0.235 4.117 4.350 0.003 0.000 0.193 232 E C 2.287 178.867 176.600 -0.034 0.000 0.988 232 E CA 1.251 57.621 56.400 -0.050 0.000 0.804 232 E CB -0.334 29.410 29.700 0.074 0.000 0.745 232 E HN 0.548 nan 8.360 nan 0.000 0.458 233 L N 1.367 122.589 121.223 -0.002 0.000 1.970 233 L HA -0.256 4.086 4.340 0.003 0.000 0.212 233 L C 2.797 179.671 176.870 0.008 0.000 1.071 233 L CA 1.850 56.679 54.840 -0.018 0.000 0.751 233 L CB -0.212 41.766 42.059 -0.135 0.000 0.889 233 L HN 0.104 nan 8.230 nan 0.000 0.432 234 R N -1.504 118.999 120.500 0.005 0.000 2.092 234 R HA -0.121 4.221 4.340 0.003 0.000 0.231 234 R C 1.878 178.375 176.300 0.329 0.000 1.119 234 R CA 1.815 58.008 56.100 0.155 0.000 0.970 234 R CB -1.269 29.113 30.300 0.137 0.000 0.864 234 R HN 0.209 nan 8.270 nan 0.000 0.440 235 T N 1.858 116.503 114.554 0.152 0.000 2.720 235 T HA -0.116 4.236 4.350 0.003 0.000 0.268 235 T C 1.716 176.543 174.700 0.211 0.000 1.037 235 T CA 1.408 63.651 62.100 0.237 0.000 1.144 235 T CB -0.212 68.551 68.868 -0.176 0.000 0.864 235 T HN 0.145 nan 8.240 nan 0.000 0.444 236 L N 1.181 122.464 121.223 0.100 0.000 2.056 236 L HA 0.020 4.361 4.340 0.003 0.000 0.207 236 L C 2.422 179.372 176.870 0.132 0.000 1.078 236 L CA 1.400 56.295 54.840 0.091 0.000 0.749 236 L CB -0.656 41.432 42.059 0.049 0.000 0.901 236 L HN 0.064 nan 8.230 nan 0.000 0.433 237 V N 0.043 120.045 119.914 0.146 0.000 2.343 237 V HA -0.271 3.851 4.120 0.003 0.000 0.247 237 V C 2.788 178.989 176.094 0.178 0.000 1.051 237 V CA 1.551 63.949 62.300 0.162 0.000 1.036 237 V CB -1.322 30.607 31.823 0.176 0.000 0.654 237 V HN 0.597 nan 8.190 nan 0.000 0.451 238 A N -0.178 122.748 122.820 0.177 0.000 1.877 238 A HA -0.238 4.084 4.320 0.003 0.000 0.216 238 A C 2.412 180.102 177.584 0.178 0.000 1.186 238 A CA 2.591 54.677 52.037 0.081 0.000 0.620 238 A CB -1.066 17.890 19.000 -0.073 0.000 0.822 238 A HN 0.497 nan 8.150 nan 0.000 0.443 239 T N -0.234 114.496 114.554 0.294 0.000 2.652 239 T HA -0.152 4.200 4.350 0.003 0.000 0.267 239 T C 1.890 176.698 174.700 0.179 0.000 1.039 239 T CA 1.768 64.046 62.100 0.297 0.000 1.153 239 T CB -0.557 68.461 68.868 0.249 0.000 0.863 239 T HN 0.150 nan 8.240 nan 0.000 0.428 240 V N 1.494 121.489 119.914 0.135 0.000 2.343 240 V HA -0.122 3.999 4.120 0.003 0.000 0.247 240 V C 2.401 178.563 176.094 0.113 0.000 1.051 240 V CA 1.389 63.741 62.300 0.087 0.000 1.036 240 V CB -0.728 31.167 31.823 0.121 0.000 0.654 240 V HN 0.311 nan 8.190 nan 0.000 0.451 241 L N 0.116 121.430 121.223 0.151 0.000 1.970 241 L HA -0.136 4.206 4.340 0.003 0.000 0.212 241 L C 2.380 179.347 176.870 0.162 0.000 1.071 241 L CA 2.072 57.013 54.840 0.167 0.000 0.751 241 L CB -0.661 41.503 42.059 0.176 0.000 0.889 241 L HN 0.137 nan 8.230 nan 0.000 0.432 242 V N 0.153 120.146 119.914 0.131 0.000 2.343 242 V HA -0.264 3.857 4.120 0.003 0.000 0.247 242 V C 2.802 178.998 176.094 0.170 0.000 1.051 242 V CA 1.625 64.011 62.300 0.142 0.000 1.036 242 V CB -1.463 30.411 31.823 0.084 0.000 0.654 242 V HN 0.620 nan 8.190 nan 0.000 0.451 243 A N 0.476 123.379 122.820 0.139 0.000 1.972 243 A HA -0.066 4.255 4.320 0.003 0.000 0.219 243 A C 2.323 179.960 177.584 0.088 0.000 1.169 243 A CA 1.846 53.945 52.037 0.104 0.000 0.635 243 A CB -0.952 18.090 19.000 0.068 0.000 0.810 243 A HN 0.552 nan 8.150 nan 0.000 0.446 244 G N -2.687 106.175 108.800 0.104 0.000 2.551 244 G HA2 0.011 3.972 3.960 0.003 0.000 0.216 244 G HA3 0.011 3.972 3.960 0.003 0.000 0.216 244 G C 1.357 176.374 174.900 0.196 0.000 1.137 244 G CA 1.116 46.285 45.100 0.114 0.000 0.798 244 G HN 0.581 nan 8.290 nan 0.000 0.536 245 Y N 0.457 120.820 120.300 0.105 0.000 2.284 245 Y HA 0.235 4.787 4.550 0.003 0.000 0.293 245 Y C 2.629 178.622 175.900 0.154 0.000 1.140 245 Y CA 1.009 59.185 58.100 0.127 0.000 1.153 245 Y CB 0.193 38.725 38.460 0.120 0.000 1.114 245 Y HN 0.045 nan 8.280 nan 0.000 0.521 246 E N 0.153 120.416 120.200 0.104 0.000 2.058 246 E HA -0.179 4.173 4.350 0.003 0.000 0.194 246 E C 2.143 178.811 176.600 0.114 0.000 0.997 246 E CA 2.209 58.654 56.400 0.075 0.000 0.801 246 E CB -0.574 29.222 29.700 0.160 0.000 0.746 246 E HN 0.702 nan 8.360 nan 0.000 0.450 247 T N -0.902 113.699 114.554 0.079 0.000 2.674 247 T HA -0.129 4.223 4.350 0.003 0.000 0.265 247 T C 2.120 176.882 174.700 0.104 0.000 1.039 247 T CA 2.009 64.157 62.100 0.080 0.000 1.150 247 T CB -0.896 68.012 68.868 0.068 0.000 0.864 247 T HN 0.004 nan 8.240 nan 0.000 0.427 248 T N 2.339 116.942 114.554 0.083 0.000 2.746 248 T HA -0.129 4.223 4.350 0.003 0.000 0.267 248 T C 2.054 176.800 174.700 0.076 0.000 1.039 248 T CA 1.283 63.444 62.100 0.101 0.000 1.142 248 T CB -0.660 68.270 68.868 0.104 0.000 0.866 248 T HN 0.426 nan 8.240 nan 0.000 0.444 249 N N 1.269 119.935 118.700 -0.057 0.000 2.007 249 N HA -0.182 4.559 4.740 0.003 0.000 0.197 249 N C 1.733 177.234 175.510 -0.015 0.000 1.050 249 N CA 1.979 54.952 53.050 -0.128 0.000 0.856 249 N CB -0.588 37.624 38.487 -0.458 0.000 1.050 249 N HN 0.508 nan 8.380 nan 0.000 0.423 250 H N -0.452 118.617 119.070 -0.002 0.000 2.421 250 H HA -0.034 4.523 4.556 0.002 0.000 0.298 250 H C 1.941 177.332 175.328 0.105 0.000 1.087 250 H CA 1.562 57.640 56.048 0.051 0.000 1.330 250 H CB -0.111 29.671 29.762 0.034 0.000 1.388 250 H HN 0.322 nan 8.280 nan 0.000 0.526 251 Q N 0.544 120.476 119.800 0.220 0.000 2.119 251 Q HA -0.058 4.284 4.340 0.003 0.000 0.201 251 Q C 2.033 178.175 176.000 0.237 0.000 0.972 251 Q CA 1.053 56.977 55.803 0.201 0.000 0.847 251 Q CB -0.248 28.591 28.738 0.168 0.000 0.903 251 Q HN 0.492 nan 8.270 nan 0.000 0.433 252 L N -0.589 120.795 121.223 0.268 0.000 2.056 252 L HA -0.132 4.210 4.340 0.003 0.000 0.207 252 L C 2.308 179.422 176.870 0.406 0.000 1.078 252 L CA 1.090 56.157 54.840 0.379 0.000 0.749 252 L CB -0.622 41.716 42.059 0.466 0.000 0.901 252 L HN 0.282 nan 8.230 nan 0.000 0.433 253 A N -0.065 122.961 122.820 0.343 0.000 1.898 253 A HA -0.156 4.166 4.320 0.003 0.000 0.216 253 A C 2.239 179.902 177.584 0.132 0.000 1.181 253 A CA 1.293 53.474 52.037 0.240 0.000 0.620 253 A CB -0.708 18.375 19.000 0.137 0.000 0.819 253 A HN 0.328 nan 8.150 nan 0.000 0.442 254 L N -0.614 120.719 121.223 0.185 0.000 2.079 254 L HA -0.244 4.098 4.340 0.003 0.000 0.210 254 L C 3.095 180.105 176.870 0.234 0.000 1.081 254 L CA 1.095 56.080 54.840 0.241 0.000 0.752 254 L CB -0.480 41.731 42.059 0.254 0.000 0.896 254 L HN 0.456 nan 8.230 nan 0.000 0.433 255 A N -0.539 122.409 122.820 0.213 0.000 1.908 255 A HA -0.248 4.073 4.320 0.003 0.000 0.218 255 A C 2.283 180.005 177.584 0.231 0.000 1.181 255 A CA 1.779 53.953 52.037 0.228 0.000 0.627 255 A CB -0.385 18.823 19.000 0.347 0.000 0.818 255 A HN 0.287 nan 8.150 nan 0.000 0.445 256 M N -2.006 117.650 119.600 0.093 0.000 2.132 256 M HA -0.092 4.390 4.480 0.003 0.000 0.263 256 M C 2.153 178.409 176.300 -0.072 0.000 1.065 256 M CA 1.356 56.605 55.300 -0.085 0.000 1.122 256 M CB -1.560 30.661 32.600 -0.632 0.000 1.365 256 M HN 0.634 nan 8.290 nan 0.000 0.411 257 Y N 2.046 122.274 120.300 -0.121 0.000 2.128 257 Y HA -0.285 4.267 4.550 0.003 0.000 0.284 257 Y C 1.901 177.748 175.900 -0.090 0.000 1.154 257 Y CA 2.009 60.069 58.100 -0.068 0.000 1.149 257 Y CB -0.390 38.111 38.460 0.068 0.000 0.976 257 Y HN 0.281 nan 8.280 nan 0.000 0.505 258 D N -0.256 120.026 120.400 -0.198 0.000 2.104 258 D HA -0.198 4.444 4.640 0.003 0.000 0.194 258 D C 1.974 177.845 176.300 -0.715 0.000 0.994 258 D CA 1.719 55.322 54.000 -0.662 0.000 0.830 258 D CB -0.666 39.519 40.800 -1.024 0.000 0.959 258 D HN 0.389 nan 8.370 nan 0.000 0.452 259 F N 1.003 120.829 119.950 -0.207 0.000 2.367 259 F HA 0.129 4.658 4.527 0.003 0.000 0.298 259 F C 2.393 178.094 175.800 -0.165 0.000 1.094 259 F CA 0.346 58.329 58.000 -0.028 0.000 1.409 259 F CB -0.602 38.598 39.000 0.332 0.000 1.064 259 F HN -0.098 nan 8.300 nan 0.000 0.528 260 A N -0.802 121.923 122.820 -0.158 0.000 2.015 260 A HA -0.186 4.135 4.320 0.003 0.000 0.219 260 A C 2.039 179.443 177.584 -0.300 0.000 1.163 260 A CA 1.338 53.212 52.037 -0.273 0.000 0.646 260 A CB -0.492 18.315 19.000 -0.322 0.000 0.806 260 A HN 0.325 nan 8.150 nan 0.000 0.448 261 Q N -1.018 118.544 119.800 -0.397 0.000 2.398 261 Q HA 0.042 4.383 4.340 0.003 0.000 0.204 261 Q C -0.399 175.207 176.000 -0.658 0.000 0.932 261 Q CA 0.860 56.353 55.803 -0.516 0.000 0.916 261 Q CB 0.134 28.500 28.738 -0.619 0.000 1.024 261 Q HN 0.818 nan 8.270 nan 0.000 0.504 262 H N -1.279 117.657 119.070 -0.222 0.000 2.379 262 H HA 0.194 4.751 4.556 0.003 0.000 0.229 262 H C -1.951 173.437 175.328 0.099 0.000 1.423 262 H CA -1.652 54.356 56.048 -0.066 0.000 1.375 262 H CB 0.934 30.661 29.762 -0.059 0.000 1.592 262 H HN 0.097 nan 8.280 nan 0.000 0.507 263 P HA -0.191 nan 4.420 nan 0.000 0.220 263 P C 1.083 178.508 177.300 0.209 0.000 1.148 263 P CA 1.231 64.407 63.100 0.127 0.000 0.803 263 P CB 0.536 32.233 31.700 -0.007 0.000 0.782 264 D N 0.541 121.042 120.400 0.169 0.000 2.144 264 D HA -0.215 4.427 4.640 0.003 0.000 0.199 264 D C 1.737 178.153 176.300 0.194 0.000 0.984 264 D CA 1.156 55.247 54.000 0.152 0.000 0.834 264 D CB -0.863 40.001 40.800 0.108 0.000 0.955 264 D HN 0.279 nan 8.370 nan 0.000 0.465 265 Q N -0.844 119.124 119.800 0.281 0.000 2.230 265 Q HA -0.072 4.270 4.340 0.003 0.000 0.202 265 Q C 2.038 178.202 176.000 0.272 0.000 0.963 265 Q CA 0.486 56.469 55.803 0.301 0.000 0.866 265 Q CB -0.199 28.797 28.738 0.430 0.000 0.931 265 Q HN 0.478 nan 8.270 nan 0.000 0.452 266 W N 1.048 122.414 121.300 0.109 0.000 2.338 266 W HA -0.190 4.472 4.660 0.003 0.000 0.304 266 W C 1.450 177.916 176.519 -0.088 0.000 1.212 266 W CA 1.115 58.387 57.345 -0.123 0.000 1.264 266 W CB 0.056 29.476 29.460 -0.066 0.000 1.142 266 W HN 0.203 nan 8.180 nan 0.000 0.512 267 M N 0.833 120.556 119.600 0.205 0.000 2.229 267 M HA -0.136 4.346 4.480 0.003 0.000 0.264 267 M C 1.795 178.094 176.300 -0.002 0.000 1.063 267 M CA 1.356 56.716 55.300 0.100 0.000 1.114 267 M CB -1.308 31.363 32.600 0.119 0.000 1.387 267 M HN -0.023 nan 8.290 nan 0.000 0.420 268 K N 0.299 120.700 120.400 0.002 0.000 2.097 268 K HA -0.061 4.260 4.320 0.003 0.000 0.206 268 K C 1.953 178.499 176.600 -0.091 0.000 1.049 268 K CA 1.116 57.387 56.287 -0.027 0.000 0.933 268 K CB -0.206 32.296 32.500 0.002 0.000 0.717 268 K HN 0.293 nan 8.250 nan 0.000 0.442 269 I N 1.128 121.592 120.570 -0.176 0.000 2.353 269 I HA -0.240 3.932 4.170 0.003 0.000 0.248 269 I C 2.525 178.488 176.117 -0.255 0.000 1.119 269 I CA 1.014 62.160 61.300 -0.258 0.000 1.417 269 I CB -0.177 37.556 38.000 -0.445 0.000 1.078 269 I HN 0.120 nan 8.210 nan 0.000 0.421 270 K N 1.198 121.434 120.400 -0.272 0.000 2.063 270 K HA -0.270 4.051 4.320 0.003 0.000 0.208 270 K C 2.128 178.664 176.600 -0.106 0.000 1.048 270 K CA 1.822 57.997 56.287 -0.187 0.000 0.928 270 K CB -0.068 32.361 32.500 -0.118 0.000 0.713 270 K HN 0.298 nan 8.250 nan 0.000 0.442 271 E N 0.331 120.484 120.200 -0.079 0.000 2.072 271 E HA -0.156 4.196 4.350 0.003 0.000 0.191 271 E C 0.110 176.676 176.600 -0.057 0.000 0.985 271 E CA 0.827 57.197 56.400 -0.051 0.000 0.801 271 E CB 0.157 29.838 29.700 -0.032 0.000 0.750 271 E HN 0.269 nan 8.360 nan 0.000 0.452 272 N N -0.391 118.265 118.700 -0.073 0.000 2.664 272 N HA 0.155 4.897 4.740 0.003 0.000 0.257 272 N C -2.438 173.019 175.510 -0.088 0.000 1.108 272 N CA -1.561 51.449 53.050 -0.067 0.000 0.822 272 N CB 1.454 39.911 38.487 -0.051 0.000 1.199 272 N HN -0.119 nan 8.380 nan 0.000 0.529 273 P HA -0.090 nan 4.420 nan 0.000 0.225 273 P C 0.457 177.709 177.300 -0.081 0.000 1.148 273 P CA 0.951 63.986 63.100 -0.108 0.000 0.779 273 P CB 0.258 31.901 31.700 -0.094 0.000 0.780 274 E N -0.772 119.393 120.200 -0.059 0.000 2.472 274 E HA -0.051 4.301 4.350 0.003 0.000 0.200 274 E C 1.512 178.087 176.600 -0.041 0.000 1.046 274 E CA 0.319 56.694 56.400 -0.042 0.000 0.871 274 E CB -0.440 29.240 29.700 -0.032 0.000 0.806 274 E HN 0.336 nan 8.360 nan 0.000 0.533 275 L N 0.137 121.326 121.223 -0.056 0.000 2.478 275 L HA -0.045 4.297 4.340 0.003 0.000 0.223 275 L C 2.353 179.196 176.870 -0.045 0.000 1.140 275 L CA 0.075 54.884 54.840 -0.051 0.000 0.842 275 L CB -0.210 41.812 42.059 -0.063 0.000 0.953 275 L HN 0.131 nan 8.230 nan 0.000 0.452 276 A N 1.296 124.081 122.820 -0.058 0.000 1.873 276 A HA -0.171 4.151 4.320 0.003 0.000 0.218 276 A C -0.148 177.442 177.584 0.009 0.000 1.193 276 A CA 1.824 53.833 52.037 -0.046 0.000 0.629 276 A CB -1.765 17.198 19.000 -0.062 0.000 0.826 276 A HN 0.276 nan 8.150 nan 0.000 0.447 277 P HA -0.157 nan 4.420 nan 0.000 0.217 277 P C 1.680 179.004 177.300 0.041 0.000 1.150 277 P CA 1.558 64.681 63.100 0.038 0.000 0.832 277 P CB -0.075 31.643 31.700 0.029 0.000 0.787 278 Q N -0.596 119.214 119.800 0.016 0.000 2.119 278 Q HA -0.121 4.221 4.340 0.003 0.000 0.201 278 Q C 2.030 178.026 176.000 -0.007 0.000 0.972 278 Q CA 1.496 57.299 55.803 -0.001 0.000 0.847 278 Q CB -0.569 28.156 28.738 -0.022 0.000 0.903 278 Q HN 0.084 nan 8.270 nan 0.000 0.433 279 A N -0.258 122.579 122.820 0.028 0.000 1.877 279 A HA -0.144 4.178 4.320 0.003 0.000 0.216 279 A C 2.181 179.862 177.584 0.163 0.000 1.186 279 A CA 1.502 53.605 52.037 0.109 0.000 0.620 279 A CB -0.766 18.344 19.000 0.184 0.000 0.822 279 A HN 0.295 nan 8.150 nan 0.000 0.443 280 V N -0.124 119.881 119.914 0.152 0.000 2.343 280 V HA -0.224 3.897 4.120 0.003 0.000 0.247 280 V C 2.583 178.755 176.094 0.129 0.000 1.051 280 V CA 2.400 64.804 62.300 0.174 0.000 1.036 280 V CB -0.654 31.266 31.823 0.163 0.000 0.654 280 V HN 0.652 nan 8.190 nan 0.000 0.451 281 E N 0.187 120.436 120.200 0.081 0.000 2.153 281 E HA -0.231 4.121 4.350 0.003 0.000 0.194 281 E C 2.078 178.652 176.600 -0.044 0.000 0.988 281 E CA 1.282 57.708 56.400 0.043 0.000 0.811 281 E CB -0.172 29.552 29.700 0.040 0.000 0.746 281 E HN 0.607 nan 8.360 nan 0.000 0.466 282 E N -0.740 119.411 120.200 -0.081 0.000 2.152 282 E HA -0.080 4.272 4.350 0.003 0.000 0.192 282 E C 1.856 178.451 176.600 -0.009 0.000 0.983 282 E CA 0.850 57.127 56.400 -0.204 0.000 0.818 282 E CB -0.111 29.302 29.700 -0.478 0.000 0.758 282 E HN 0.142 nan 8.360 nan 0.000 0.467 283 V N 0.536 120.535 119.914 0.141 0.000 2.307 283 V HA -0.239 3.883 4.120 0.003 0.000 0.245 283 V C 2.372 178.571 176.094 0.176 0.000 1.045 283 V CA 1.671 64.134 62.300 0.271 0.000 1.024 283 V CB -0.456 31.519 31.823 0.253 0.000 0.651 283 V HN 0.301 nan 8.190 nan 0.000 0.449 284 L N -0.490 120.781 121.223 0.080 0.000 2.083 284 L HA -0.163 4.178 4.340 0.003 0.000 0.209 284 L C 2.694 179.486 176.870 -0.129 0.000 1.083 284 L CA 1.696 56.532 54.840 -0.007 0.000 0.752 284 L CB -0.565 41.484 42.059 -0.015 0.000 0.899 284 L HN 0.259 nan 8.230 nan 0.000 0.433 285 R N -0.638 119.707 120.500 -0.259 0.000 2.055 285 R HA -0.210 4.132 4.340 0.003 0.000 0.228 285 R C 2.251 178.439 176.300 -0.186 0.000 1.143 285 R CA 1.793 57.536 56.100 -0.595 0.000 0.945 285 R CB -0.413 29.513 30.300 -0.623 0.000 0.841 285 R HN 0.336 nan 8.270 nan 0.000 0.429 286 W N 0.930 122.115 121.300 -0.192 0.000 2.518 286 W HA 0.010 4.672 4.660 0.003 0.000 0.273 286 W C 0.389 176.870 176.519 -0.063 0.000 1.247 286 W CA 1.440 58.727 57.345 -0.096 0.000 1.288 286 W CB 0.356 29.887 29.460 0.119 0.000 1.107 286 W HN 0.134 nan 8.180 nan 0.000 0.586 287 S N -0.058 115.743 115.700 0.168 0.000 2.407 287 S HA 0.330 4.802 4.470 0.003 0.000 0.166 287 S C -2.747 171.928 174.600 0.126 0.000 1.445 287 S CA -1.259 57.023 58.200 0.138 0.000 1.260 287 S CB 0.334 63.720 63.200 0.309 0.000 1.401 287 S HN -0.135 nan 8.310 nan 0.000 0.379 288 P HA 0.112 nan 4.420 nan 0.000 0.271 288 P C 0.940 178.255 177.300 0.025 0.000 1.220 288 P CA 0.151 63.273 63.100 0.037 0.000 0.768 288 P CB 1.268 32.981 31.700 0.021 0.000 0.848 289 T N 2.646 117.208 114.554 0.014 0.000 2.881 289 T HA -0.027 4.325 4.350 0.003 0.000 0.270 289 T C 0.815 175.493 174.700 -0.036 0.000 1.068 289 T CA 0.975 63.092 62.100 0.028 0.000 1.131 289 T CB -0.473 68.432 68.868 0.062 0.000 0.871 289 T HN 0.288 nan 8.240 nan 0.000 0.479 290 L N 2.876 124.048 121.223 -0.085 0.000 2.321 290 L HA 0.334 4.676 4.340 0.003 0.000 0.272 290 L C -1.486 175.261 176.870 -0.205 0.000 1.050 290 L CA -1.864 52.899 54.840 -0.128 0.000 0.893 290 L CB 1.746 43.732 42.059 -0.120 0.000 1.272 290 L HN 0.036 nan 8.230 nan 0.000 0.435 291 P HA -0.104 nan 4.420 nan 0.000 0.217 291 P C 0.501 177.429 177.300 -0.620 0.000 1.150 291 P CA 0.940 63.733 63.100 -0.511 0.000 0.832 291 P CB 0.371 31.583 31.700 -0.813 0.000 0.787 292 V N 1.237 120.856 119.914 -0.490 0.000 2.370 292 V HA 0.145 4.267 4.120 0.003 0.000 0.279 292 V C 1.659 177.571 176.094 -0.304 0.000 1.029 292 V CA 0.197 62.247 62.300 -0.417 0.000 0.870 292 V CB 0.965 32.529 31.823 -0.430 0.000 0.984 292 V HN 0.178 nan 8.190 nan 0.000 0.451 293 T N 1.947 116.352 114.554 -0.249 0.000 2.990 293 T HA 0.325 4.677 4.350 0.003 0.000 0.237 293 T C 0.801 175.421 174.700 -0.133 0.000 1.009 293 T CA 0.579 62.581 62.100 -0.163 0.000 1.195 293 T CB 0.216 69.013 68.868 -0.119 0.000 0.885 293 T HN 0.753 nan 8.240 nan 0.000 0.424 294 A N 2.851 125.596 122.820 -0.126 0.000 2.258 294 A HA 0.609 4.931 4.320 0.003 0.000 0.316 294 A C 0.352 177.824 177.584 -0.185 0.000 1.279 294 A CA -0.591 51.386 52.037 -0.100 0.000 0.876 294 A CB 0.300 19.288 19.000 -0.019 0.000 1.170 294 A HN 0.539 nan 8.150 nan 0.000 0.520 295 T N 1.764 116.141 114.554 -0.295 0.000 3.029 295 T HA 0.527 4.878 4.350 0.003 0.000 0.346 295 T C 0.023 174.611 174.700 -0.187 0.000 1.211 295 T CA -0.778 61.058 62.100 -0.440 0.000 1.009 295 T CB 0.092 68.402 68.868 -0.930 0.000 1.084 295 T HN 0.581 nan 8.240 nan 0.000 0.536 296 R N 1.741 122.249 120.500 0.013 0.000 2.700 296 R HA 0.840 5.181 4.340 0.003 0.000 0.253 296 R C -0.851 175.515 176.300 0.110 0.000 1.091 296 R CA -0.987 55.140 56.100 0.046 0.000 1.104 296 R CB 1.714 32.060 30.300 0.076 0.000 1.202 296 R HN 0.498 nan 8.270 nan 0.000 0.532 297 V N -0.106 119.870 119.914 0.102 0.000 2.932 297 V HA 0.545 4.667 4.120 0.003 0.000 0.307 297 V C -1.040 175.145 176.094 0.152 0.000 1.147 297 V CA -0.783 61.592 62.300 0.125 0.000 0.951 297 V CB 2.058 33.941 31.823 0.101 0.000 1.031 297 V HN 0.924 nan 8.190 nan 0.000 0.426 298 A N 4.397 127.337 122.820 0.200 0.000 2.492 298 A HA 0.642 4.964 4.320 0.003 0.000 0.254 298 A C 1.115 178.812 177.584 0.187 0.000 1.091 298 A CA 0.496 52.702 52.037 0.281 0.000 0.768 298 A CB 0.894 20.104 19.000 0.350 0.000 1.028 298 A HN 1.882 nan 8.150 nan 0.000 0.498 299 A N 2.250 125.162 122.820 0.152 0.000 2.195 299 A HA 0.365 4.686 4.320 0.003 0.000 0.210 299 A C 0.677 178.325 177.584 0.106 0.000 1.165 299 A CA 0.980 53.076 52.037 0.098 0.000 0.806 299 A CB -0.143 18.889 19.000 0.054 0.000 0.847 299 A HN 0.965 nan 8.150 nan 0.000 0.482 300 E N -0.902 119.396 120.200 0.164 0.000 2.445 300 E HA 0.374 4.726 4.350 0.003 0.000 0.279 300 E C -2.049 174.727 176.600 0.295 0.000 1.018 300 E CA -1.040 55.463 56.400 0.171 0.000 0.816 300 E CB 0.398 30.166 29.700 0.114 0.000 1.356 300 E HN -0.086 nan 8.360 nan 0.000 0.462 301 D N 1.366 121.892 120.400 0.211 0.000 2.371 301 D HA 0.348 4.990 4.640 0.003 0.000 0.256 301 D C -0.720 175.767 176.300 0.311 0.000 1.193 301 D CA 0.501 54.617 54.000 0.193 0.000 0.881 301 D CB 0.101 40.958 40.800 0.094 0.000 1.143 301 D HN 0.389 nan 8.370 nan 0.000 0.473 302 F N -0.746 119.246 119.950 0.070 0.000 2.711 302 F HA 0.702 5.231 4.527 0.003 0.000 0.313 302 F C -1.115 174.745 175.800 0.099 0.000 1.141 302 F CA -1.341 56.701 58.000 0.071 0.000 0.941 302 F CB 1.149 40.187 39.000 0.063 0.000 1.349 302 F HN -0.085 nan 8.300 nan 0.000 0.464 303 E N 0.740 121.013 120.200 0.122 0.000 2.266 303 E HA 0.719 5.071 4.350 0.003 0.000 0.268 303 E C -1.526 175.146 176.600 0.120 0.000 0.879 303 E CA -0.955 55.470 56.400 0.042 0.000 0.762 303 E CB 2.633 32.377 29.700 0.073 0.000 1.199 303 E HN 0.618 nan 8.360 nan 0.000 0.422 304 V N 3.191 123.165 119.914 0.099 0.000 2.525 304 V HA 0.302 4.424 4.120 0.003 0.000 0.299 304 V C -0.461 175.618 176.094 -0.024 0.000 1.034 304 V CA -1.177 61.133 62.300 0.018 0.000 0.863 304 V CB 1.526 33.326 31.823 -0.037 0.000 0.999 304 V HN 0.770 nan 8.190 nan 0.000 0.423 305 N N 3.632 122.247 118.700 -0.141 0.000 2.721 305 N HA -0.222 4.520 4.740 0.003 0.000 0.249 305 N C 1.221 176.799 175.510 0.114 0.000 1.072 305 N CA 1.754 54.743 53.050 -0.102 0.000 0.710 305 N CB -1.198 37.047 38.487 -0.403 0.000 0.993 305 N HN 1.655 nan 8.380 nan 0.000 0.547 306 G N -2.873 105.991 108.800 0.107 0.000 2.205 306 G HA2 -0.339 3.622 3.960 0.003 0.000 0.261 306 G HA3 -0.339 3.622 3.960 0.003 0.000 0.261 306 G C 0.023 175.032 174.900 0.182 0.000 0.980 306 G CA 0.361 45.538 45.100 0.129 0.000 0.632 306 G HN 0.550 nan 8.290 nan 0.000 0.533 307 V N 1.895 121.973 119.914 0.273 0.000 2.385 307 V HA 0.439 4.561 4.120 0.003 0.000 0.269 307 V C 1.039 177.275 176.094 0.237 0.000 1.043 307 V CA -0.588 61.897 62.300 0.309 0.000 0.906 307 V CB 1.322 33.371 31.823 0.377 0.000 0.995 307 V HN 0.450 nan 8.190 nan 0.000 0.467 308 R N 4.894 125.522 120.500 0.214 0.000 2.389 308 R HA 0.467 4.809 4.340 0.003 0.000 0.295 308 R C -0.799 175.590 176.300 0.148 0.000 1.075 308 R CA -0.282 55.873 56.100 0.091 0.000 1.005 308 R CB 0.472 30.778 30.300 0.009 0.000 0.987 308 R HN 0.694 nan 8.270 nan 0.000 0.452 309 I N 7.957 128.457 120.570 -0.117 0.000 2.428 309 I HA 0.290 4.462 4.170 0.003 0.000 0.279 309 I C -2.013 174.039 176.117 -0.109 0.000 1.040 309 I CA -2.343 58.879 61.300 -0.130 0.000 1.171 309 I CB 1.606 39.310 38.000 -0.494 0.000 1.312 309 I HN 0.455 nan 8.210 nan 0.000 0.470 310 P HA 0.104 nan 4.420 nan 0.000 0.274 310 P C -0.179 177.165 177.300 0.075 0.000 1.237 310 P CA -0.205 62.902 63.100 0.011 0.000 0.793 310 P CB 0.392 32.062 31.700 -0.050 0.000 0.977 311 T N 0.814 115.421 114.554 0.088 0.000 2.905 311 T HA 0.278 4.630 4.350 0.003 0.000 0.299 311 T C 1.434 176.188 174.700 0.090 0.000 1.024 311 T CA 1.510 63.674 62.100 0.108 0.000 1.151 311 T CB -0.654 68.265 68.868 0.085 0.000 0.987 311 T HN 0.852 nan 8.240 nan 0.000 0.535 312 G N 2.835 111.697 108.800 0.105 0.000 2.175 312 G HA2 -0.268 3.694 3.960 0.003 0.000 0.244 312 G HA3 -0.268 3.694 3.960 0.003 0.000 0.244 312 G C 0.296 175.254 174.900 0.097 0.000 0.982 312 G CA -0.012 45.142 45.100 0.090 0.000 0.641 312 G HN 0.867 nan 8.290 nan 0.000 0.527 313 T N 3.592 118.218 114.554 0.120 0.000 2.799 313 T HA 0.471 4.823 4.350 0.003 0.000 0.296 313 T C -2.190 172.570 174.700 0.100 0.000 0.947 313 T CA -0.387 61.791 62.100 0.130 0.000 1.141 313 T CB 1.600 70.583 68.868 0.193 0.000 0.891 313 T HN 0.143 nan 8.240 nan 0.000 0.533 314 P HA 0.307 nan 4.420 nan 0.000 0.271 314 P C -1.033 176.261 177.300 -0.010 0.000 1.216 314 P CA -0.376 62.751 63.100 0.044 0.000 0.771 314 P CB 0.601 32.286 31.700 -0.025 0.000 0.864 315 V N 4.965 124.951 119.914 0.121 0.000 2.447 315 V HA 0.346 4.468 4.120 0.003 0.000 0.292 315 V C -0.637 175.651 176.094 0.325 0.000 1.021 315 V CA -0.436 61.935 62.300 0.118 0.000 0.850 315 V CB 0.823 32.728 31.823 0.136 0.000 1.005 315 V HN 0.318 nan 8.190 nan 0.000 0.426 316 F N 4.831 124.749 119.950 -0.053 0.000 2.420 316 F HA 0.621 5.150 4.527 0.002 0.000 0.342 316 F C 0.322 176.071 175.800 -0.086 0.000 1.113 316 F CA -1.890 56.057 58.000 -0.088 0.000 1.059 316 F CB 1.793 40.726 39.000 -0.112 0.000 1.128 316 F HN 0.268 nan 8.300 nan 0.000 0.475 317 M N 3.553 123.185 119.600 0.053 0.000 2.084 317 M HA 0.179 4.661 4.480 0.003 0.000 0.351 317 M C -0.614 175.616 176.300 -0.116 0.000 1.240 317 M CA -0.252 55.039 55.300 -0.015 0.000 1.083 317 M CB 0.324 32.908 32.600 -0.026 0.000 1.593 317 M HN 0.410 nan 8.290 nan 0.000 0.463 318 C N 3.538 122.764 119.300 -0.123 0.000 2.116 318 C HA 0.443 4.904 4.460 0.003 0.000 0.367 318 C C 1.912 176.721 174.990 -0.300 0.000 1.039 318 C CA -0.586 58.271 59.018 -0.268 0.000 1.465 318 C CB -1.397 26.227 27.740 -0.192 0.000 1.783 318 C HN 0.998 nan 8.230 nan 0.000 0.470 319 A N 1.540 124.129 122.820 -0.385 0.000 1.902 319 A HA -0.228 4.093 4.320 0.003 0.000 0.217 319 A C 1.994 179.143 177.584 -0.725 0.000 1.181 319 A CA 1.995 53.699 52.037 -0.555 0.000 0.623 319 A CB -0.821 17.868 19.000 -0.518 0.000 0.818 319 A HN 0.932 nan 8.150 nan 0.000 0.443 320 H N -0.630 118.070 119.070 -0.618 0.000 2.319 320 H HA -0.104 4.454 4.556 0.003 0.000 0.299 320 H C 1.854 177.029 175.328 -0.255 0.000 1.092 320 H CA 2.150 57.929 56.048 -0.448 0.000 1.302 320 H CB 0.008 29.428 29.762 -0.569 0.000 1.373 320 H HN 0.170 nan 8.280 nan 0.000 0.497 321 V N 0.568 120.462 119.914 -0.033 0.000 2.358 321 V HA -0.199 3.923 4.120 0.003 0.000 0.246 321 V C 2.700 178.840 176.094 0.078 0.000 1.047 321 V CA 1.438 63.791 62.300 0.087 0.000 1.035 321 V CB -1.052 30.851 31.823 0.132 0.000 0.658 321 V HN 0.678 nan 8.190 nan 0.000 0.452 322 A N -0.791 122.043 122.820 0.023 0.000 1.972 322 A HA -0.258 4.064 4.320 0.003 0.000 0.219 322 A C 1.957 179.778 177.584 0.396 0.000 1.169 322 A CA 1.857 53.998 52.037 0.173 0.000 0.635 322 A CB -0.912 18.144 19.000 0.092 0.000 0.810 322 A HN 0.743 nan 8.150 nan 0.000 0.446 323 H N -1.324 117.851 119.070 0.175 0.000 2.545 323 H HA 0.041 4.599 4.556 0.003 0.000 0.282 323 H C 1.045 176.359 175.328 -0.023 0.000 1.020 323 H CA 0.356 56.428 56.048 0.040 0.000 1.243 323 H CB 0.285 29.924 29.762 -0.204 0.000 1.377 323 H HN 0.226 nan 8.280 nan 0.000 0.581 324 R N 0.940 121.547 120.500 0.178 0.000 2.507 324 R HA 0.050 4.392 4.340 0.003 0.000 0.298 324 R C -0.382 176.047 176.300 0.216 0.000 0.999 324 R CA -0.090 56.100 56.100 0.149 0.000 1.082 324 R CB -0.045 30.302 30.300 0.078 0.000 1.246 324 R HN 0.210 nan 8.270 nan 0.000 0.553 325 D N 2.908 123.491 120.400 0.306 0.000 2.346 325 D HA 0.054 4.696 4.640 0.003 0.000 0.260 325 D C -1.314 175.099 176.300 0.189 0.000 1.252 325 D CA -2.065 52.076 54.000 0.235 0.000 0.895 325 D CB 1.449 42.403 40.800 0.255 0.000 1.097 325 D HN -0.008 nan 8.370 nan 0.000 0.489 326 P HA -0.063 nan 4.420 nan 0.000 0.230 326 P C 1.001 178.323 177.300 0.035 0.000 1.158 326 P CA 0.471 63.628 63.100 0.096 0.000 0.769 326 P CB 0.365 32.115 31.700 0.083 0.000 0.807 327 R N -0.526 119.988 120.500 0.024 0.000 2.193 327 R HA -0.010 4.332 4.340 0.003 0.000 0.229 327 R C 1.878 178.112 176.300 -0.110 0.000 1.110 327 R CA 0.913 57.003 56.100 -0.017 0.000 0.988 327 R CB -0.362 29.947 30.300 0.014 0.000 0.871 327 R HN 0.157 nan 8.270 nan 0.000 0.458 328 V N -1.051 118.735 119.914 -0.213 0.000 3.013 328 V HA 0.146 4.268 4.120 0.003 0.000 0.238 328 V C -0.114 175.587 176.094 -0.656 0.000 1.161 328 V CA 0.538 62.501 62.300 -0.562 0.000 1.170 328 V CB 0.261 31.500 31.823 -0.974 0.000 0.917 328 V HN -0.038 nan 8.190 nan 0.000 0.478 329 F N 0.844 120.733 119.950 -0.102 0.000 2.458 329 F HA 0.759 5.287 4.527 0.003 0.000 0.336 329 F C 0.519 176.296 175.800 -0.039 0.000 1.114 329 F CA -1.191 56.760 58.000 -0.082 0.000 0.987 329 F CB 0.999 39.957 39.000 -0.071 0.000 1.130 329 F HN -0.008 nan 8.300 nan 0.000 0.458 330 A N 2.139 125.044 122.820 0.143 0.000 2.488 330 A HA 0.278 4.600 4.320 0.003 0.000 0.249 330 A C 0.534 178.167 177.584 0.082 0.000 1.083 330 A CA -0.182 51.901 52.037 0.077 0.000 0.768 330 A CB -0.257 18.767 19.000 0.040 0.000 1.017 330 A HN 0.880 nan 8.150 nan 0.000 0.496 331 D N 1.094 121.535 120.400 0.068 0.000 2.697 331 D HA -0.215 4.427 4.640 0.003 0.000 0.235 331 D C 1.204 177.559 176.300 0.092 0.000 1.167 331 D CA 1.131 55.171 54.000 0.067 0.000 0.656 331 D CB -1.001 39.822 40.800 0.038 0.000 1.025 331 D HN 0.847 nan 8.370 nan 0.000 0.419 332 A N 0.640 123.535 122.820 0.125 0.000 1.978 332 A HA -0.215 4.106 4.320 0.003 0.000 0.220 332 A C 1.872 179.559 177.584 0.172 0.000 1.170 332 A CA 1.720 53.848 52.037 0.152 0.000 0.636 332 A CB -0.004 19.111 19.000 0.191 0.000 0.810 332 A HN 0.402 nan 8.150 nan 0.000 0.448 333 D N -0.942 119.569 120.400 0.185 0.000 2.355 333 D HA 0.124 4.766 4.640 0.003 0.000 0.218 333 D C 1.097 177.658 176.300 0.435 0.000 1.004 333 D CA 0.876 55.035 54.000 0.265 0.000 0.880 333 D CB -0.110 40.802 40.800 0.187 0.000 0.911 333 D HN 0.501 nan 8.370 nan 0.000 0.528 334 R N 0.758 121.414 120.500 0.261 0.000 2.346 334 R HA 0.322 4.664 4.340 0.003 0.000 0.311 334 R C -0.666 175.555 176.300 -0.131 0.000 0.983 334 R CA -0.697 55.482 56.100 0.131 0.000 0.880 334 R CB -0.438 29.897 30.300 0.059 0.000 1.100 334 R HN 0.032 nan 8.270 nan 0.000 0.453 335 F N 3.103 122.586 119.950 -0.779 0.000 2.502 335 F HA 0.356 4.885 4.527 0.003 0.000 0.371 335 F C -0.283 175.089 175.800 -0.713 0.000 1.083 335 F CA 0.179 57.455 58.000 -1.207 0.000 1.174 335 F CB 0.966 38.685 39.000 -2.135 0.000 1.096 335 F HN 0.607 nan 8.300 nan 0.000 0.545 336 D N 6.910 126.772 120.400 -0.898 0.000 2.375 336 D HA 0.104 4.746 4.640 0.003 0.000 0.241 336 D C 0.659 176.622 176.300 -0.561 0.000 1.361 336 D CA -0.345 53.312 54.000 -0.571 0.000 0.995 336 D CB 0.714 41.345 40.800 -0.282 0.000 1.312 336 D HN 0.596 nan 8.370 nan 0.000 0.576 337 I N 0.913 121.164 120.570 -0.532 0.000 2.830 337 I HA -0.019 4.153 4.170 0.003 0.000 0.263 337 I C 1.564 177.579 176.117 -0.169 0.000 1.230 337 I CA 1.093 62.197 61.300 -0.327 0.000 1.480 337 I CB -0.250 37.665 38.000 -0.142 0.000 1.095 337 I HN 0.266 nan 8.210 nan 0.000 0.455 338 T N -0.950 113.520 114.554 -0.141 0.000 3.088 338 T HA 0.193 4.545 4.350 0.003 0.000 0.259 338 T C 0.790 175.446 174.700 -0.074 0.000 1.122 338 T CA -0.033 62.017 62.100 -0.083 0.000 1.095 338 T CB -0.684 68.149 68.868 -0.058 0.000 0.930 338 T HN 0.136 nan 8.240 nan 0.000 0.508 339 V N 2.367 122.225 119.914 -0.094 0.000 2.455 339 V HA 0.265 4.387 4.120 0.003 0.000 0.273 339 V C 0.405 176.471 176.094 -0.047 0.000 1.045 339 V CA -0.829 61.433 62.300 -0.063 0.000 0.976 339 V CB 0.775 32.560 31.823 -0.063 0.000 0.993 339 V HN 0.386 nan 8.190 nan 0.000 0.475 340 K N 6.235 126.619 120.400 -0.027 0.000 2.316 340 K HA 0.325 4.647 4.320 0.003 0.000 0.289 340 K C 0.017 176.618 176.600 0.001 0.000 1.070 340 K CA -0.325 55.953 56.287 -0.014 0.000 0.928 340 K CB 0.338 32.831 32.500 -0.012 0.000 1.039 340 K HN 0.628 nan 8.250 nan 0.000 0.480 341 R N 3.134 123.646 120.500 0.019 0.000 2.540 341 R HA 0.106 4.448 4.340 0.003 0.000 0.287 341 R C 0.398 176.715 176.300 0.029 0.000 0.980 341 R CA -0.745 55.384 56.100 0.050 0.000 0.966 341 R CB 1.171 31.553 30.300 0.137 0.000 1.106 341 R HN 0.618 nan 8.270 nan 0.000 0.480 342 E N 1.261 121.453 120.200 -0.013 0.000 2.051 342 E HA -0.017 4.334 4.350 0.003 0.000 0.189 342 E C 0.227 176.814 176.600 -0.022 0.000 0.979 342 E CA 1.070 57.449 56.400 -0.034 0.000 0.803 342 E CB 0.123 29.776 29.700 -0.077 0.000 0.761 342 E HN 0.623 nan 8.360 nan 0.000 0.451 343 A N 1.991 124.761 122.820 -0.083 0.000 2.310 343 A HA 0.448 4.769 4.320 0.003 0.000 0.299 343 A C -2.211 175.483 177.584 0.184 0.000 1.147 343 A CA -1.448 50.566 52.037 -0.040 0.000 0.818 343 A CB 0.065 18.791 19.000 -0.456 0.000 1.096 343 A HN -0.029 nan 8.150 nan 0.000 0.495 344 P HA 0.232 nan 4.420 nan 0.000 0.276 344 P C 0.143 177.693 177.300 0.417 0.000 1.261 344 P CA -0.253 63.023 63.100 0.294 0.000 0.800 344 P CB 0.695 32.555 31.700 0.266 0.000 1.066 345 S N -0.120 115.719 115.700 0.232 0.000 2.584 345 S HA 0.169 4.641 4.470 0.003 0.000 0.270 345 S C 0.909 175.753 174.600 0.407 0.000 1.346 345 S CA -0.517 57.747 58.200 0.108 0.000 1.018 345 S CB -0.493 62.597 63.200 -0.184 0.000 0.899 345 S HN 0.459 nan 8.310 nan 0.000 0.542 346 I N -1.285 119.663 120.570 0.631 0.000 3.376 346 I HA 0.549 4.721 4.170 0.003 0.000 0.347 346 I C 1.074 177.341 176.117 0.250 0.000 1.453 346 I CA -0.846 60.693 61.300 0.397 0.000 1.044 346 I CB -0.113 37.980 38.000 0.155 0.000 1.668 346 I HN 0.646 nan 8.210 nan 0.000 0.490 347 A N 0.690 123.579 122.820 0.116 0.000 2.209 347 A HA 0.185 4.507 4.320 0.003 0.000 0.212 347 A C 1.227 178.511 177.584 -0.501 0.000 1.158 347 A CA 0.979 52.858 52.037 -0.264 0.000 0.742 347 A CB -0.623 18.070 19.000 -0.511 0.000 0.790 347 A HN 0.629 nan 8.150 nan 0.000 0.472 348 F N -1.416 118.586 119.950 0.086 0.000 2.706 348 F HA 0.433 4.962 4.527 0.003 0.000 0.313 348 F C 1.587 177.375 175.800 -0.020 0.000 1.096 348 F CA 0.195 58.157 58.000 -0.064 0.000 1.219 348 F CB 0.068 38.926 39.000 -0.237 0.000 1.051 348 F HN 0.382 nan 8.300 nan 0.000 0.568 349 G N 0.691 109.634 108.800 0.238 0.000 2.512 349 G HA2 0.195 4.157 3.960 0.003 0.000 0.254 349 G HA3 0.195 4.157 3.960 0.003 0.000 0.254 349 G C 0.117 175.284 174.900 0.446 0.000 1.199 349 G CA -0.315 44.928 45.100 0.238 0.000 0.941 349 G HN 0.979 nan 8.290 nan 0.000 0.569 350 G N -2.878 106.161 108.800 0.400 0.000 2.430 350 G HA2 0.785 4.747 3.960 0.003 0.000 0.300 350 G HA3 0.785 4.747 3.960 0.003 0.000 0.300 350 G C 0.880 175.926 174.900 0.243 0.000 1.330 350 G CA 1.270 46.571 45.100 0.334 0.000 0.813 350 G HN 2.928 nan 8.290 nan 0.000 0.487 351 G N -0.369 108.505 108.800 0.124 0.000 2.697 351 G HA2 0.002 3.964 3.960 0.003 0.000 0.240 351 G HA3 0.002 3.964 3.960 0.003 0.000 0.240 351 G C -1.016 173.972 174.900 0.147 0.000 1.346 351 G CA 0.432 45.593 45.100 0.102 0.000 0.887 351 G HN 0.835 nan 8.290 nan 0.000 0.569 352 P HA -0.094 nan 4.420 nan 0.000 0.217 352 P C 1.298 178.664 177.300 0.109 0.000 1.148 352 P CA 1.814 64.965 63.100 0.086 0.000 0.834 352 P CB -0.138 31.542 31.700 -0.032 0.000 0.783 353 H N -3.071 116.068 119.070 0.115 0.000 2.539 353 H HA 0.080 4.637 4.556 0.003 0.000 0.267 353 H C 0.563 175.987 175.328 0.161 0.000 0.982 353 H CA -0.365 55.752 56.048 0.117 0.000 1.146 353 H CB -0.491 29.268 29.762 -0.005 0.000 1.382 353 H HN 0.141 nan 8.280 nan 0.000 0.577 354 F N 2.447 122.484 119.950 0.144 0.000 2.579 354 F HA -0.141 4.388 4.527 0.003 0.000 0.397 354 F C 0.869 176.729 175.800 0.100 0.000 1.027 354 F CA -0.493 57.576 58.000 0.116 0.000 1.217 354 F CB 0.103 39.152 39.000 0.081 0.000 0.986 354 F HN 0.119 nan 8.300 nan 0.000 0.551 355 C N 8.747 127.715 119.300 -0.554 0.000 2.155 355 C HA -0.100 4.362 4.460 0.003 0.000 0.396 355 C C 1.764 176.497 174.990 -0.428 0.000 1.545 355 C CA -0.104 58.666 59.018 -0.413 0.000 1.442 355 C CB -1.699 25.873 27.740 -0.279 0.000 2.553 355 C HN 1.025 nan 8.230 nan 0.000 0.598 356 L N 5.933 127.011 121.223 -0.243 0.000 2.201 356 L HA 0.200 4.541 4.340 0.003 0.000 0.212 356 L C 2.145 178.836 176.870 -0.298 0.000 1.105 356 L CA 2.348 57.057 54.840 -0.219 0.000 0.775 356 L CB -0.485 41.428 42.059 -0.244 0.000 0.913 356 L HN 0.896 nan 8.230 nan 0.000 0.440 357 G N -2.516 106.066 108.800 -0.363 0.000 3.371 357 G HA2 0.039 4.000 3.960 0.003 0.000 0.248 357 G HA3 0.039 4.000 3.960 0.003 0.000 0.248 357 G C 1.096 175.881 174.900 -0.193 0.000 1.161 357 G CA 0.492 45.422 45.100 -0.284 0.000 0.796 357 G HN 0.313 nan 8.290 nan 0.000 0.539 358 T N 1.635 115.973 114.554 -0.360 0.000 2.597 358 T HA -0.231 4.121 4.350 0.003 0.000 0.267 358 T C 2.825 177.284 174.700 -0.402 0.000 1.053 358 T CA 1.896 63.573 62.100 -0.705 0.000 1.165 358 T CB -0.260 68.096 68.868 -0.853 0.000 0.863 358 T HN 0.391 nan 8.240 nan 0.000 0.427 359 A N 0.939 123.657 122.820 -0.169 0.000 1.902 359 A HA -0.018 4.304 4.320 0.003 0.000 0.217 359 A C 2.278 179.865 177.584 0.004 0.000 1.181 359 A CA 1.476 53.480 52.037 -0.055 0.000 0.623 359 A CB -0.813 18.190 19.000 0.003 0.000 0.818 359 A HN 0.415 nan 8.150 nan 0.000 0.443 360 L N -0.248 121.004 121.223 0.049 0.000 2.046 360 L HA -0.047 4.294 4.340 0.003 0.000 0.208 360 L C 2.669 179.601 176.870 0.104 0.000 1.077 360 L CA 2.185 57.090 54.840 0.109 0.000 0.747 360 L CB -0.815 41.369 42.059 0.208 0.000 0.896 360 L HN 0.342 nan 8.230 nan 0.000 0.432 361 A N -0.287 122.584 122.820 0.086 0.000 1.883 361 A HA -0.254 4.067 4.320 0.003 0.000 0.217 361 A C 2.453 180.143 177.584 0.176 0.000 1.186 361 A CA 2.034 54.167 52.037 0.159 0.000 0.624 361 A CB -0.635 18.522 19.000 0.262 0.000 0.822 361 A HN 0.509 nan 8.150 nan 0.000 0.444 362 R N -1.291 119.285 120.500 0.128 0.000 2.096 362 R HA -0.119 4.223 4.340 0.003 0.000 0.235 362 R C 2.157 178.528 176.300 0.119 0.000 1.127 362 R CA 1.422 57.606 56.100 0.140 0.000 0.968 362 R CB -0.552 29.800 30.300 0.086 0.000 0.861 362 R HN 0.524 nan 8.270 nan 0.000 0.440 363 L N 1.585 122.866 121.223 0.095 0.000 1.994 363 L HA -0.175 4.167 4.340 0.003 0.000 0.208 363 L C 1.851 178.788 176.870 0.112 0.000 1.071 363 L CA 1.860 56.755 54.840 0.090 0.000 0.745 363 L CB -0.317 41.790 42.059 0.079 0.000 0.892 363 L HN 0.117 nan 8.230 nan 0.000 0.431 364 E N -0.486 119.793 120.200 0.132 0.000 2.085 364 E HA -0.243 4.109 4.350 0.003 0.000 0.194 364 E C 2.248 178.961 176.600 0.188 0.000 0.994 364 E CA 1.708 58.199 56.400 0.152 0.000 0.801 364 E CB -0.324 29.471 29.700 0.157 0.000 0.743 364 E HN 0.524 nan 8.360 nan 0.000 0.453 365 L N 0.560 121.900 121.223 0.195 0.000 2.056 365 L HA -0.149 4.192 4.340 0.003 0.000 0.207 365 L C 2.604 179.580 176.870 0.176 0.000 1.078 365 L CA 1.241 56.212 54.840 0.217 0.000 0.749 365 L CB -0.529 41.665 42.059 0.225 0.000 0.901 365 L HN 0.128 nan 8.230 nan 0.000 0.433 366 T N -1.110 113.526 114.554 0.136 0.000 2.737 366 T HA -0.133 4.219 4.350 0.003 0.000 0.265 366 T C 1.798 176.538 174.700 0.067 0.000 1.038 366 T CA 1.030 63.184 62.100 0.090 0.000 1.144 366 T CB -0.116 68.796 68.868 0.072 0.000 0.866 366 T HN 0.262 nan 8.240 nan 0.000 0.434 367 E N 1.316 121.566 120.200 0.084 0.000 2.077 367 E HA -0.059 4.292 4.350 0.003 0.000 0.193 367 E C 2.594 179.256 176.600 0.103 0.000 0.989 367 E CA 1.184 57.627 56.400 0.073 0.000 0.800 367 E CB -0.481 29.263 29.700 0.073 0.000 0.746 367 E HN 0.502 nan 8.360 nan 0.000 0.452 368 A N 1.117 124.046 122.820 0.183 0.000 1.858 368 A HA -0.143 4.178 4.320 0.003 0.000 0.216 368 A C 2.655 180.298 177.584 0.099 0.000 1.190 368 A CA 1.627 53.827 52.037 0.272 0.000 0.617 368 A CB -0.842 18.429 19.000 0.451 0.000 0.827 368 A HN 0.128 nan 8.150 nan 0.000 0.443 369 V N -0.052 119.900 119.914 0.064 0.000 2.295 369 V HA -0.263 3.859 4.120 0.003 0.000 0.246 369 V C 3.089 179.037 176.094 -0.244 0.000 1.049 369 V CA 2.060 64.306 62.300 -0.090 0.000 1.024 369 V CB -1.323 30.487 31.823 -0.022 0.000 0.648 369 V HN 0.638 nan 8.190 nan 0.000 0.447 370 A N -0.041 122.693 122.820 -0.143 0.000 1.865 370 A HA -0.187 4.135 4.320 0.003 0.000 0.217 370 A C 2.409 179.888 177.584 -0.175 0.000 1.191 370 A CA 2.496 54.433 52.037 -0.168 0.000 0.623 370 A CB -0.896 18.051 19.000 -0.087 0.000 0.826 370 A HN 0.594 nan 8.150 nan 0.000 0.444 371 A N -0.592 122.169 122.820 -0.098 0.000 1.897 371 A HA 0.053 4.375 4.320 0.003 0.000 0.215 371 A C 2.185 179.706 177.584 -0.106 0.000 1.181 371 A CA 1.368 53.362 52.037 -0.072 0.000 0.620 371 A CB -0.600 18.399 19.000 0.000 0.000 0.821 371 A HN 0.457 nan 8.150 nan 0.000 0.443 372 L N -0.667 120.481 121.223 -0.124 0.000 2.042 372 L HA -0.214 4.128 4.340 0.003 0.000 0.210 372 L C 3.048 179.841 176.870 -0.128 0.000 1.076 372 L CA 1.212 55.985 54.840 -0.112 0.000 0.749 372 L CB -0.461 41.592 42.059 -0.010 0.000 0.893 372 L HN 0.436 nan 8.230 nan 0.000 0.432 373 A N -0.899 121.559 122.820 -0.603 0.000 1.968 373 A HA -0.137 4.185 4.320 0.003 0.000 0.217 373 A C 2.334 179.672 177.584 -0.410 0.000 1.169 373 A CA 1.958 53.386 52.037 -1.013 0.000 0.638 373 A CB -0.684 17.505 19.000 -1.351 0.000 0.812 373 A HN 0.377 nan 8.150 nan 0.000 0.446 374 T N -0.387 114.011 114.554 -0.261 0.000 2.812 374 T HA -0.063 4.289 4.350 0.003 0.000 0.264 374 T C 1.966 176.626 174.700 -0.067 0.000 1.042 374 T CA 1.479 63.493 62.100 -0.143 0.000 1.140 374 T CB -0.128 68.671 68.868 -0.116 0.000 0.870 374 T HN 0.519 nan 8.240 nan 0.000 0.445 375 R N -0.270 120.198 120.500 -0.054 0.000 2.265 375 R HA 0.360 4.702 4.340 0.003 0.000 0.194 375 R C 0.074 176.377 176.300 0.005 0.000 0.931 375 R CA 0.276 56.360 56.100 -0.027 0.000 1.032 375 R CB 0.269 30.542 30.300 -0.044 0.000 0.980 375 R HN 0.286 nan 8.270 nan 0.000 0.497 376 L N 0.433 121.693 121.223 0.062 0.000 2.354 376 L HA 0.355 4.696 4.340 0.003 0.000 0.264 376 L C -0.700 176.351 176.870 0.302 0.000 1.008 376 L CA -1.256 53.641 54.840 0.095 0.000 0.819 376 L CB 2.004 43.957 42.059 -0.177 0.000 1.339 376 L HN -0.123 nan 8.230 nan 0.000 0.420 377 D N 1.382 121.900 120.400 0.198 0.000 2.357 377 D HA 0.193 4.835 4.640 0.003 0.000 0.242 377 D C -2.317 173.936 176.300 -0.079 0.000 1.153 377 D CA -1.066 53.020 54.000 0.142 0.000 0.918 377 D CB 0.487 41.331 40.800 0.073 0.000 1.181 377 D HN 0.150 nan 8.370 nan 0.000 0.435 378 P HA 0.056 nan 4.420 nan 0.000 0.265 378 P C -2.375 174.513 177.300 -0.687 0.000 1.187 378 P CA -0.608 61.901 63.100 -0.985 0.000 0.766 378 P CB -0.209 31.244 31.700 -0.412 0.000 0.820 379 P HA 0.078 nan 4.420 nan 0.000 0.271 379 P C -0.927 176.040 177.300 -0.556 0.000 1.218 379 P CA 0.193 62.773 63.100 -0.867 0.000 0.780 379 P CB 0.763 31.880 31.700 -0.972 0.000 0.901 380 Q N 1.819 121.322 119.800 -0.496 0.000 2.321 380 Q HA 0.436 4.778 4.340 0.003 0.000 0.270 380 Q C -0.287 175.520 176.000 -0.321 0.000 1.032 380 Q CA -1.076 54.527 55.803 -0.333 0.000 0.784 380 Q CB 1.838 30.430 28.738 -0.244 0.000 1.264 380 Q HN 0.370 nan 8.270 nan 0.000 0.448 381 I N 1.996 122.418 120.570 -0.246 0.000 2.664 381 I HA -0.032 4.140 4.170 0.003 0.000 0.284 381 I C 0.911 176.933 176.117 -0.159 0.000 1.154 381 I CA 0.618 61.803 61.300 -0.190 0.000 1.402 381 I CB 0.228 38.169 38.000 -0.099 0.000 1.395 381 I HN 0.829 nan 8.210 nan 0.000 0.545 382 A N 5.116 127.832 122.820 -0.174 0.000 2.348 382 A HA 0.605 4.926 4.320 0.003 0.000 0.224 382 A C 0.959 178.490 177.584 -0.088 0.000 1.227 382 A CA 0.551 52.507 52.037 -0.135 0.000 0.885 382 A CB 0.109 19.011 19.000 -0.163 0.000 0.933 382 A HN 0.886 nan 8.150 nan 0.000 0.506 383 G N -1.090 107.663 108.800 -0.078 0.000 2.427 383 G HA2 0.378 4.340 3.960 0.003 0.000 0.306 383 G HA3 0.378 4.340 3.960 0.003 0.000 0.306 383 G C -1.392 173.488 174.900 -0.034 0.000 1.280 383 G CA -0.557 44.515 45.100 -0.047 0.000 0.837 383 G HN 0.111 nan 8.290 nan 0.000 0.482 384 E N -0.125 120.063 120.200 -0.019 0.000 2.344 384 E HA 0.329 4.680 4.350 0.003 0.000 0.270 384 E C -0.133 176.433 176.600 -0.055 0.000 1.021 384 E CA -0.248 56.150 56.400 -0.003 0.000 0.887 384 E CB 0.481 30.192 29.700 0.019 0.000 0.997 384 E HN 0.277 nan 8.360 nan 0.000 0.429 385 I N 3.337 123.855 120.570 -0.086 0.000 2.428 385 I HA 0.072 4.244 4.170 0.003 0.000 0.289 385 I C 0.238 176.165 176.117 -0.317 0.000 1.019 385 I CA -0.170 60.941 61.300 -0.316 0.000 1.351 385 I CB 1.501 39.141 38.000 -0.600 0.000 1.412 385 I HN 0.387 nan 8.210 nan 0.000 0.513 386 T N 5.058 119.410 114.554 -0.338 0.000 2.762 386 T HA 0.257 4.609 4.350 0.003 0.000 0.303 386 T C -0.733 173.783 174.700 -0.307 0.000 0.977 386 T CA -0.342 61.640 62.100 -0.196 0.000 0.961 386 T CB -0.058 68.752 68.868 -0.097 0.000 0.944 386 T HN 0.286 nan 8.240 nan 0.000 0.481 387 W N 2.409 123.629 121.300 -0.133 0.000 2.376 387 W HA 0.549 5.211 4.660 0.002 0.000 0.322 387 W C 0.714 176.938 176.519 -0.493 0.000 1.160 387 W CA -1.172 56.022 57.345 -0.252 0.000 1.218 387 W CB 0.608 29.928 29.460 -0.233 0.000 1.205 387 W HN 0.359 nan 8.180 nan 0.000 0.559 388 R N 2.149 122.621 120.500 -0.047 0.000 2.442 388 R HA 0.147 4.489 4.340 0.003 0.000 0.291 388 R C -1.064 175.092 176.300 -0.240 0.000 1.069 388 R CA 0.028 56.062 56.100 -0.110 0.000 1.022 388 R CB -0.105 30.205 30.300 0.016 0.000 0.976 388 R HN 0.521 nan 8.270 nan 0.000 0.443 389 H N 3.147 122.282 119.070 0.108 0.000 2.645 389 H HA 0.284 4.841 4.556 0.002 0.000 0.257 389 H C -0.629 174.735 175.328 0.059 0.000 1.269 389 H CA -0.599 55.497 56.048 0.079 0.000 1.409 389 H CB 0.520 30.326 29.762 0.072 0.000 1.434 389 H HN 0.747 nan 8.280 nan 0.000 0.505 390 E N 1.644 121.924 120.200 0.132 0.000 2.459 390 E HA 0.425 4.777 4.350 0.003 0.000 0.275 390 E C -1.217 175.434 176.600 0.085 0.000 0.987 390 E CA -1.183 55.273 56.400 0.092 0.000 0.828 390 E CB 1.577 31.307 29.700 0.050 0.000 1.428 390 E HN 0.189 nan 8.360 nan 0.000 0.457 391 L N 1.643 122.911 121.223 0.076 0.000 2.295 391 L HA 0.514 4.856 4.340 0.003 0.000 0.288 391 L C 0.669 177.556 176.870 0.028 0.000 1.079 391 L CA 0.786 55.662 54.840 0.060 0.000 0.830 391 L CB 0.190 42.296 42.059 0.078 0.000 1.200 391 L HN 0.999 nan 8.230 nan 0.000 0.438 392 G N 2.172 110.968 108.800 -0.007 0.000 2.039 392 G HA2 -0.183 3.778 3.960 0.003 0.000 0.207 392 G HA3 -0.183 3.778 3.960 0.003 0.000 0.207 392 G C -0.363 174.508 174.900 -0.048 0.000 1.133 392 G CA -0.524 44.560 45.100 -0.026 0.000 1.296 392 G HN 0.236 nan 8.290 nan 0.000 0.459 393 V N 2.593 122.463 119.914 -0.073 0.000 2.529 393 V HA 0.492 4.614 4.120 0.003 0.000 0.292 393 V C 0.989 176.986 176.094 -0.163 0.000 1.028 393 V CA 0.730 62.935 62.300 -0.159 0.000 1.074 393 V CB 0.437 32.081 31.823 -0.299 0.000 0.958 393 V HN 1.684 nan 8.190 nan 0.000 0.481 394 A N 3.761 126.523 122.820 -0.096 0.000 2.384 394 A HA 1.052 5.374 4.320 0.003 0.000 0.312 394 A C 0.284 177.944 177.584 0.126 0.000 1.113 394 A CA -0.029 52.016 52.037 0.012 0.000 0.779 394 A CB 1.814 20.849 19.000 0.059 0.000 1.307 394 A HN 2.003 nan 8.150 nan 0.000 0.436 395 G N -0.506 108.481 108.800 0.312 0.000 2.354 395 G HA2 0.300 4.262 3.960 0.003 0.000 0.582 395 G HA3 0.300 4.262 3.960 0.003 0.000 0.582 395 G C -3.594 171.505 174.900 0.332 0.000 1.316 395 G CA -0.707 44.653 45.100 0.434 0.000 0.995 395 G HN 0.654 nan 8.290 nan 0.000 0.573 396 P HA 0.309 nan 4.420 nan 0.000 0.276 396 P C -0.101 177.064 177.300 -0.226 0.000 1.235 396 P CA -0.115 62.742 63.100 -0.405 0.000 0.772 396 P CB 0.832 32.201 31.700 -0.551 0.000 0.871 397 D N 1.569 121.870 120.400 -0.165 0.000 2.271 397 D HA 0.104 4.745 4.640 0.003 0.000 0.206 397 D C 0.507 176.725 176.300 -0.138 0.000 0.967 397 D CA 0.936 54.860 54.000 -0.126 0.000 0.867 397 D CB 0.317 41.111 40.800 -0.009 0.000 0.960 397 D HN 0.364 nan 8.370 nan 0.000 0.509 398 A N 0.487 123.208 122.820 -0.164 0.000 2.408 398 A HA 0.556 4.877 4.320 0.003 0.000 0.295 398 A C -1.620 175.860 177.584 -0.174 0.000 1.040 398 A CA -0.537 51.428 52.037 -0.120 0.000 0.707 398 A CB 1.437 20.386 19.000 -0.084 0.000 1.235 398 A HN 0.045 nan 8.150 nan 0.000 0.418 399 L N 4.607 125.772 121.223 -0.097 0.000 2.433 399 L HA 0.492 4.833 4.340 0.003 0.000 0.256 399 L C -2.554 174.248 176.870 -0.112 0.000 1.063 399 L CA -1.967 52.796 54.840 -0.129 0.000 0.922 399 L CB 1.621 43.630 42.059 -0.084 0.000 1.238 399 L HN 0.411 nan 8.230 nan 0.000 0.466 400 P HA 0.349 nan 4.420 nan 0.000 0.276 400 P C -1.215 175.929 177.300 -0.261 0.000 1.253 400 P CA -0.118 62.885 63.100 -0.161 0.000 0.766 400 P CB 1.055 32.693 31.700 -0.103 0.000 0.845 401 L N 1.856 122.819 121.223 -0.433 0.000 2.630 401 L HA 0.822 5.164 4.340 0.003 0.000 0.258 401 L C -0.664 175.812 176.870 -0.657 0.000 1.072 401 L CA -1.228 53.289 54.840 -0.539 0.000 0.885 401 L CB 1.602 43.276 42.059 -0.642 0.000 1.502 401 L HN 0.404 nan 8.230 nan 0.000 0.406 402 R N -0.539 119.627 120.500 -0.557 0.000 2.795 402 R HA 0.731 5.073 4.340 0.003 0.000 0.275 402 R C -1.821 174.178 176.300 -0.502 0.000 0.981 402 R CA -0.579 55.292 56.100 -0.381 0.000 0.917 402 R CB 1.594 31.799 30.300 -0.159 0.000 1.202 402 R HN 0.478 nan 8.270 nan 0.000 0.469 403 F N 1.255 121.173 119.950 -0.053 0.000 2.334 403 F HA 0.537 5.066 4.527 0.003 0.000 0.367 403 F C 0.837 176.590 175.800 -0.077 0.000 1.115 403 F CA 0.573 58.511 58.000 -0.103 0.000 1.116 403 F CB 1.623 40.616 39.000 -0.011 0.000 1.230 403 F HN 0.982 nan 8.300 nan 0.000 0.484 404 G N 1.542 110.340 108.800 -0.002 0.000 2.721 404 G HA2 0.131 4.093 3.960 0.003 0.000 0.686 404 G HA3 0.131 4.093 3.960 0.003 0.000 0.686 404 G C 0.528 175.409 174.900 -0.032 0.000 1.236 404 G CA -0.564 44.531 45.100 -0.009 0.000 0.786 404 G HN 0.980 nan 8.290 nan 0.000 0.616 405 A N 1.736 124.533 122.820 -0.038 0.000 1.883 405 A HA 0.464 4.785 4.320 0.003 0.000 0.217 405 A C 2.365 179.941 177.584 -0.014 0.000 1.186 405 A CA 2.731 54.746 52.037 -0.036 0.000 0.624 405 A CB -0.816 18.164 19.000 -0.033 0.000 0.822 405 A HN 2.730 nan 8.150 nan 0.000 0.444 406 A N 0.000 122.820 122.820 0.000 0.000 2.254 406 A HA 0.000 4.322 4.320 0.003 0.000 0.244 406 A CA 0.000 52.044 52.037 0.012 0.000 0.836 406 A CB 0.000 19.010 19.000 0.016 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486