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 3n1z_1_A DATA FIRST_RESID 2 DATA SEQUENCE SMLKREDWYD LTRTTNWTPK YVTENELFPE EMSGARGISM EAWEKYDEPY DATA SEQUENCE KITYPEYVSI QREKDSGAYS IKAALERDGF VDRADPGWVS TMQLHFGAIA DATA SEQUENCE LEEYAASTAE ARMARFAKAP GNRNMATFGM MDENRHGQIQ LYFPYANVKR DATA SEQUENCE SRKWDWAHKA IHTNEWAAIA ARSFFDDMMM TRDSVAVSIM LTFAFETGFS DATA SEQUENCE NMQFLGLAAD AAEAGDHTFA SLISSIQTDE SRHAQQGGPS LKILVENGKK DATA SEQUENCE DEAQQMVDVA IWRSWKLFSV LTGPIMDYYT PLESRNQSFK EFMLEWIVAQ DATA SEQUENCE FERQLLDLGL DKPWYWDQFM QDLDETHHGM HLGVWYWRPT VWWDPAAGVS DATA SEQUENCE PEEREWLEEK YPGWNDTWGQ CWDVITDNLV NGKPELTVPE TLPTICNMCN DATA SEQUENCE LPIAHTPGNK WNVKDYQLEY EGRLYHFGSE ADRWCFQIDP ERYENHTNLV DATA SEQUENCE DRFLKGEIQP ADLAGALMYM SLEPGVMGDD AHDYEWVKAY Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.603 174.600 0.006 0.000 1.055 2 S CA 0.000 58.206 58.200 0.009 0.000 1.107 2 S CB 0.000 63.208 63.200 0.014 0.000 0.593 3 M N 1.520 121.132 119.600 0.020 0.000 2.664 3 M HA 0.599 5.080 4.480 0.001 0.000 0.314 3 M C -0.758 175.571 176.300 0.048 0.000 1.200 3 M CA -0.522 54.791 55.300 0.022 0.000 0.916 3 M CB 0.864 33.492 32.600 0.047 0.000 1.717 3 M HN 0.609 nan 8.290 nan 0.000 0.470 4 L N 0.775 122.031 121.223 0.055 0.000 2.439 4 L HA 0.385 4.726 4.340 0.001 0.000 0.259 4 L C 0.345 177.360 176.870 0.243 0.000 1.129 4 L CA -0.633 54.285 54.840 0.131 0.000 0.803 4 L CB 0.549 42.678 42.059 0.118 0.000 1.161 4 L HN 0.554 nan 8.230 nan 0.000 0.462 5 K N 0.290 120.836 120.400 0.245 0.000 2.205 5 K HA 0.157 4.478 4.320 0.001 0.000 0.279 5 K C 0.862 177.633 176.600 0.285 0.000 1.027 5 K CA -0.173 56.241 56.287 0.211 0.000 0.932 5 K CB 1.163 33.740 32.500 0.129 0.000 1.032 5 K HN 0.360 nan 8.250 nan 0.000 0.466 6 R N 1.929 122.549 120.500 0.200 0.000 2.119 6 R HA -0.260 4.081 4.340 0.001 0.000 0.246 6 R C 0.862 177.069 176.300 -0.155 0.000 1.146 6 R CA 2.002 58.084 56.100 -0.029 0.000 0.962 6 R CB 0.100 30.360 30.300 -0.067 0.000 0.863 6 R HN 0.629 nan 8.270 nan 0.000 0.442 7 E N 0.803 120.980 120.200 -0.039 0.000 2.108 7 E HA -0.228 4.123 4.350 0.001 0.000 0.203 7 E C 1.613 178.231 176.600 0.030 0.000 1.022 7 E CA 1.915 58.299 56.400 -0.027 0.000 0.823 7 E CB -0.388 29.317 29.700 0.008 0.000 0.744 7 E HN 0.464 nan 8.360 nan 0.000 0.456 8 D N -0.788 119.683 120.400 0.118 0.000 2.144 8 D HA -0.148 4.493 4.640 0.001 0.000 0.199 8 D C 1.548 178.018 176.300 0.283 0.000 0.984 8 D CA 1.310 55.432 54.000 0.202 0.000 0.834 8 D CB -0.232 40.723 40.800 0.259 0.000 0.955 8 D HN 0.545 nan 8.370 nan 0.000 0.465 9 W N -0.854 120.516 121.300 0.117 0.000 2.725 9 W HA 0.201 4.862 4.660 0.001 0.000 0.336 9 W C 1.398 178.004 176.519 0.145 0.000 1.012 9 W CA -0.587 56.825 57.345 0.111 0.000 1.566 9 W CB -1.096 28.414 29.460 0.084 0.000 1.068 9 W HN -0.142 nan 8.180 nan 0.000 0.546 10 Y N 3.408 123.385 120.300 -0.538 0.000 2.030 10 Y HA -0.341 4.210 4.550 0.001 0.000 0.272 10 Y C 2.085 177.901 175.900 -0.141 0.000 1.185 10 Y CA 2.945 60.748 58.100 -0.494 0.000 1.120 10 Y CB -0.587 37.647 38.460 -0.377 0.000 0.955 10 Y HN -0.207 nan 8.280 nan 0.000 0.495 11 D N 0.034 120.487 120.400 0.088 0.000 2.172 11 D HA -0.233 4.408 4.640 0.001 0.000 0.196 11 D C 2.268 178.577 176.300 0.015 0.000 0.999 11 D CA 1.668 55.705 54.000 0.062 0.000 0.856 11 D CB -0.516 40.348 40.800 0.106 0.000 0.934 11 D HN 0.430 nan 8.370 nan 0.000 0.453 12 L N 0.602 121.863 121.223 0.062 0.000 2.191 12 L HA -0.140 4.201 4.340 0.001 0.000 0.212 12 L C 2.463 179.363 176.870 0.051 0.000 1.103 12 L CA 1.436 56.328 54.840 0.087 0.000 0.769 12 L CB -0.669 41.486 42.059 0.159 0.000 0.908 12 L HN 0.172 nan 8.230 nan 0.000 0.438 13 T N -2.069 112.473 114.554 -0.021 0.000 3.035 13 T HA -0.153 4.198 4.350 0.001 0.000 0.268 13 T C 1.470 176.123 174.700 -0.079 0.000 1.109 13 T CA 0.624 62.694 62.100 -0.051 0.000 1.119 13 T CB -0.209 68.552 68.868 -0.178 0.000 0.900 13 T HN 0.550 nan 8.240 nan 0.000 0.503 14 R N -0.104 120.346 120.500 -0.083 0.000 2.629 14 R HA 0.289 4.630 4.340 0.001 0.000 0.408 14 R C -0.458 175.864 176.300 0.036 0.000 1.057 14 R CA -0.490 55.597 56.100 -0.021 0.000 1.119 14 R CB -0.166 30.121 30.300 -0.022 0.000 1.403 14 R HN 0.070 nan 8.270 nan 0.000 0.576 15 T N 1.717 116.299 114.554 0.045 0.000 3.400 15 T HA 0.108 4.459 4.350 0.001 0.000 0.364 15 T C 0.590 175.344 174.700 0.089 0.000 1.636 15 T CA -0.180 61.963 62.100 0.071 0.000 1.211 15 T CB 1.058 69.966 68.868 0.067 0.000 1.180 15 T HN 0.380 nan 8.240 nan 0.000 0.730 16 T N -2.075 112.549 114.554 0.116 0.000 3.111 16 T HA 0.234 4.585 4.350 0.001 0.000 0.284 16 T C 0.430 175.325 174.700 0.326 0.000 0.983 16 T CA -0.559 61.648 62.100 0.178 0.000 0.900 16 T CB 0.109 69.065 68.868 0.147 0.000 1.132 16 T HN 0.113 nan 8.240 nan 0.000 0.531 17 N N 2.502 121.348 118.700 0.242 0.000 2.530 17 N HA 0.575 5.316 4.740 0.001 0.000 0.277 17 N C -0.740 174.988 175.510 0.364 0.000 1.168 17 N CA -0.483 52.703 53.050 0.226 0.000 0.979 17 N CB 0.694 39.221 38.487 0.067 0.000 1.141 17 N HN 0.744 nan 8.380 nan 0.000 0.459 18 W N -0.752 120.583 121.300 0.059 0.000 3.075 18 W HA 0.478 5.138 4.660 0.001 0.000 0.334 18 W C -1.158 175.399 176.519 0.062 0.000 1.243 18 W CA -0.891 56.487 57.345 0.055 0.000 1.170 18 W CB 0.231 29.726 29.460 0.058 0.000 1.452 18 W HN 0.109 nan 8.180 nan 0.000 0.572 19 T N 4.777 119.447 114.554 0.194 0.000 2.739 19 T HA 0.230 4.581 4.350 0.001 0.000 0.298 19 T C -1.851 172.906 174.700 0.094 0.000 0.929 19 T CA -0.695 61.437 62.100 0.054 0.000 1.014 19 T CB 0.072 68.987 68.868 0.077 0.000 0.914 19 T HN 0.197 nan 8.240 nan 0.000 0.509 20 P HA 0.182 nan 4.420 nan 0.000 0.270 20 P C 0.176 177.494 177.300 0.029 0.000 1.223 20 P CA -0.268 62.853 63.100 0.035 0.000 0.785 20 P CB 1.187 32.844 31.700 -0.072 0.000 0.923 21 K N 0.300 120.693 120.400 -0.012 0.000 2.598 21 K HA 0.082 4.403 4.320 0.001 0.000 0.214 21 K C 0.683 177.059 176.600 -0.373 0.000 1.575 21 K CA -0.117 56.027 56.287 -0.238 0.000 1.042 21 K CB -0.170 32.102 32.500 -0.380 0.000 1.338 21 K HN 0.125 nan 8.250 nan 0.000 0.590 22 Y N 1.998 122.347 120.300 0.083 0.000 2.511 22 Y HA 0.188 4.738 4.550 0.001 0.000 0.279 22 Y C 0.725 176.653 175.900 0.046 0.000 1.157 22 Y CA -0.020 58.116 58.100 0.060 0.000 1.300 22 Y CB 0.863 39.362 38.460 0.064 0.000 1.052 22 Y HN 0.065 nan 8.280 nan 0.000 0.529 23 V N -3.899 116.084 119.914 0.115 0.000 3.178 23 V HA 0.643 4.764 4.120 0.001 0.000 0.302 23 V C -0.172 175.941 176.094 0.032 0.000 1.262 23 V CA -0.930 61.413 62.300 0.072 0.000 1.030 23 V CB 1.406 33.274 31.823 0.075 0.000 1.074 23 V HN 0.017 nan 8.190 nan 0.000 0.438 24 T N -1.753 112.813 114.554 0.020 0.000 2.874 24 T HA 0.416 4.767 4.350 0.001 0.000 0.281 24 T C 0.876 175.589 174.700 0.022 0.000 0.994 24 T CA 0.715 62.822 62.100 0.012 0.000 1.015 24 T CB 1.546 70.420 68.868 0.010 0.000 1.028 24 T HN 1.059 nan 8.240 nan 0.000 0.523 25 E N 0.843 121.060 120.200 0.028 0.000 2.058 25 E HA -0.233 4.118 4.350 0.001 0.000 0.194 25 E C 1.738 178.410 176.600 0.119 0.000 0.997 25 E CA 1.554 57.998 56.400 0.074 0.000 0.801 25 E CB -0.133 29.590 29.700 0.038 0.000 0.746 25 E HN 0.669 nan 8.360 nan 0.000 0.450 26 N N 0.727 119.468 118.700 0.069 0.000 2.205 26 N HA -0.163 4.577 4.740 0.001 0.000 0.186 26 N C 1.452 176.989 175.510 0.045 0.000 1.015 26 N CA 1.203 54.290 53.050 0.062 0.000 0.862 26 N CB -0.157 38.349 38.487 0.030 0.000 0.986 26 N HN 0.361 nan 8.380 nan 0.000 0.429 27 E N 0.025 120.241 120.200 0.027 0.000 2.072 27 E HA -0.100 4.250 4.350 0.001 0.000 0.190 27 E C 1.777 178.367 176.600 -0.017 0.000 0.982 27 E CA 0.477 56.880 56.400 0.006 0.000 0.803 27 E CB -0.094 29.610 29.700 0.007 0.000 0.755 27 E HN 0.139 nan 8.360 nan 0.000 0.453 28 L N -0.230 120.970 121.223 -0.038 0.000 2.109 28 L HA -0.051 4.290 4.340 0.001 0.000 0.207 28 L C 0.418 177.054 176.870 -0.391 0.000 1.086 28 L CA 1.460 56.174 54.840 -0.210 0.000 0.760 28 L CB 0.208 42.123 42.059 -0.242 0.000 0.910 28 L HN -0.054 nan 8.230 nan 0.000 0.437 29 F N 0.462 120.422 119.950 0.016 0.000 2.389 29 F HA 0.396 4.924 4.527 0.001 0.000 0.327 29 F C -2.099 173.694 175.800 -0.012 0.000 1.204 29 F CA -2.615 55.416 58.000 0.053 0.000 1.209 29 F CB -0.097 38.886 39.000 -0.028 0.000 1.460 29 F HN -0.100 nan 8.300 nan 0.000 0.537 30 P HA -0.049 nan 4.420 nan 0.000 0.261 30 P C 1.032 178.277 177.300 -0.092 0.000 1.183 30 P CA 0.363 63.422 63.100 -0.068 0.000 0.761 30 P CB 0.857 32.454 31.700 -0.172 0.000 0.785 31 E N 3.563 123.731 120.200 -0.053 0.000 2.097 31 E HA -0.244 4.107 4.350 0.001 0.000 0.196 31 E C 1.523 178.062 176.600 -0.101 0.000 1.000 31 E CA 1.672 58.040 56.400 -0.053 0.000 0.804 31 E CB -0.111 29.571 29.700 -0.029 0.000 0.740 31 E HN 0.655 nan 8.360 nan 0.000 0.454 32 E N -0.729 119.393 120.200 -0.130 0.000 2.333 32 E HA -0.165 4.186 4.350 0.001 0.000 0.198 32 E C 1.637 178.102 176.600 -0.226 0.000 1.007 32 E CA 0.961 57.270 56.400 -0.151 0.000 0.845 32 E CB -0.046 29.569 29.700 -0.142 0.000 0.766 32 E HN 0.172 nan 8.360 nan 0.000 0.507 33 M N 0.131 119.523 119.600 -0.346 0.000 2.653 33 M HA 0.187 4.668 4.480 0.001 0.000 0.259 33 M C 1.825 177.938 176.300 -0.312 0.000 1.244 33 M CA 0.529 55.496 55.300 -0.556 0.000 1.163 33 M CB 0.330 32.062 32.600 -1.445 0.000 1.309 33 M HN 0.039 nan 8.290 nan 0.000 0.509 34 S N 0.140 115.744 115.700 -0.161 0.000 2.412 34 S HA 0.251 4.721 4.470 0.001 0.000 0.223 34 S C 1.401 175.937 174.600 -0.107 0.000 1.048 34 S CA 0.887 59.068 58.200 -0.031 0.000 0.954 34 S CB -0.039 63.200 63.200 0.064 0.000 0.840 34 S HN 0.648 nan 8.310 nan 0.000 0.503 35 G N 1.438 110.192 108.800 -0.078 0.000 2.221 35 G HA2 -0.237 3.724 3.960 0.001 0.000 0.265 35 G HA3 -0.237 3.724 3.960 0.001 0.000 0.265 35 G C 0.712 175.605 174.900 -0.011 0.000 1.041 35 G CA 0.529 45.605 45.100 -0.041 0.000 0.807 35 G HN 0.700 nan 8.290 nan 0.000 0.502 36 A N -0.002 122.799 122.820 -0.032 0.000 2.125 36 A HA 0.228 4.549 4.320 0.001 0.000 0.219 36 A C 1.848 179.654 177.584 0.370 0.000 1.156 36 A CA 1.686 53.785 52.037 0.102 0.000 0.671 36 A CB -0.316 18.700 19.000 0.026 0.000 0.794 36 A HN 1.410 nan 8.150 nan 0.000 0.459 37 R N -2.470 118.141 120.500 0.185 0.000 3.322 37 R HA -0.238 4.103 4.340 0.001 0.000 0.253 37 R C 1.057 177.427 176.300 0.116 0.000 0.987 37 R CA 0.396 56.582 56.100 0.143 0.000 0.666 37 R CB -2.507 27.887 30.300 0.158 0.000 1.072 37 R HN 1.568 nan 8.270 nan 0.000 0.447 38 G N -0.593 108.269 108.800 0.103 0.000 2.184 38 G HA2 -0.339 3.621 3.960 0.001 0.000 0.264 38 G HA3 -0.339 3.621 3.960 0.001 0.000 0.264 38 G C 0.374 175.305 174.900 0.052 0.000 0.975 38 G CA 0.445 45.582 45.100 0.061 0.000 0.642 38 G HN 0.453 nan 8.290 nan 0.000 0.536 39 I N 2.188 122.817 120.570 0.099 0.000 2.428 39 I HA 0.388 4.559 4.170 0.001 0.000 0.289 39 I C 1.346 177.511 176.117 0.080 0.000 1.019 39 I CA -0.003 61.275 61.300 -0.036 0.000 1.351 39 I CB 1.448 39.245 38.000 -0.339 0.000 1.412 39 I HN 0.361 nan 8.210 nan 0.000 0.513 40 S N 5.939 121.627 115.700 -0.021 0.000 2.614 40 S HA 0.261 4.732 4.470 0.001 0.000 0.265 40 S C 1.054 175.734 174.600 0.133 0.000 1.303 40 S CA -0.659 57.570 58.200 0.048 0.000 1.000 40 S CB 1.336 64.530 63.200 -0.009 0.000 0.935 40 S HN 0.673 nan 8.310 nan 0.000 0.551 41 M N 0.594 120.246 119.600 0.086 0.000 2.080 41 M HA -0.136 4.345 4.480 0.001 0.000 0.260 41 M C 2.414 178.759 176.300 0.074 0.000 1.068 41 M CA 1.807 57.145 55.300 0.064 0.000 1.109 41 M CB -0.730 31.840 32.600 -0.050 0.000 1.342 41 M HN 0.896 nan 8.290 nan 0.000 0.405 42 E N 0.071 120.287 120.200 0.028 0.000 2.058 42 E HA -0.217 4.134 4.350 0.001 0.000 0.194 42 E C 1.913 178.515 176.600 0.003 0.000 0.997 42 E CA 1.597 58.007 56.400 0.017 0.000 0.801 42 E CB -0.003 29.696 29.700 -0.001 0.000 0.746 42 E HN 0.500 nan 8.360 nan 0.000 0.450 43 A N 0.211 123.000 122.820 -0.052 0.000 1.902 43 A HA -0.187 4.134 4.320 0.001 0.000 0.217 43 A C 1.812 179.298 177.584 -0.163 0.000 1.181 43 A CA 1.359 53.302 52.037 -0.158 0.000 0.623 43 A CB -1.186 17.644 19.000 -0.284 0.000 0.818 43 A HN 0.442 nan 8.150 nan 0.000 0.443 44 W N -0.031 121.255 121.300 -0.024 0.000 2.595 44 W HA 0.021 4.682 4.660 0.001 0.000 0.257 44 W C 1.829 178.363 176.519 0.024 0.000 1.267 44 W CA 0.836 58.174 57.345 -0.012 0.000 1.300 44 W CB 0.078 29.488 29.460 -0.084 0.000 1.120 44 W HN 0.413 nan 8.180 nan 0.000 0.618 45 E N -0.040 120.282 120.200 0.203 0.000 2.511 45 E HA -0.108 4.243 4.350 0.001 0.000 0.196 45 E C 1.514 178.202 176.600 0.148 0.000 1.066 45 E CA 0.456 56.951 56.400 0.158 0.000 0.871 45 E CB 0.041 29.800 29.700 0.098 0.000 0.863 45 E HN 0.011 nan 8.360 nan 0.000 0.520 46 K N -0.194 120.283 120.400 0.129 0.000 2.459 46 K HA -0.008 4.312 4.320 0.001 0.000 0.193 46 K C -0.206 176.472 176.600 0.131 0.000 1.030 46 K CA -0.032 56.306 56.287 0.084 0.000 1.026 46 K CB -0.123 32.384 32.500 0.013 0.000 0.809 46 K HN 0.142 nan 8.250 nan 0.000 0.504 47 Y N 1.709 122.065 120.300 0.094 0.000 2.713 47 Y HA -0.030 4.520 4.550 0.001 0.000 0.341 47 Y C -0.574 175.379 175.900 0.089 0.000 1.167 47 Y CA -0.142 58.028 58.100 0.116 0.000 1.503 47 Y CB 0.130 38.703 38.460 0.187 0.000 1.199 47 Y HN -0.031 nan 8.280 nan 0.000 0.525 48 D N 6.340 126.607 120.400 -0.222 0.000 2.440 48 D HA 0.072 4.713 4.640 0.001 0.000 0.252 48 D C -1.081 175.070 176.300 -0.248 0.000 1.180 48 D CA -0.676 53.256 54.000 -0.113 0.000 0.894 48 D CB 0.546 41.316 40.800 -0.050 0.000 1.111 48 D HN 0.597 nan 8.370 nan 0.000 0.544 49 E N 4.697 124.817 120.200 -0.133 0.000 2.480 49 E HA 0.017 4.368 4.350 0.001 0.000 0.258 49 E C -1.736 174.779 176.600 -0.140 0.000 0.984 49 E CA -0.959 55.378 56.400 -0.104 0.000 0.930 49 E CB 1.148 30.934 29.700 0.143 0.000 0.936 49 E HN 0.295 nan 8.360 nan 0.000 0.466 50 P HA -0.146 nan 4.420 nan 0.000 0.216 50 P C -0.210 176.860 177.300 -0.385 0.000 1.153 50 P CA 1.158 64.002 63.100 -0.427 0.000 0.844 50 P CB 0.016 31.292 31.700 -0.705 0.000 0.787 51 Y N 1.232 121.523 120.300 -0.014 0.000 2.454 51 Y HA 0.351 4.901 4.550 0.001 0.000 0.345 51 Y C 0.955 176.844 175.900 -0.018 0.000 0.970 51 Y CA -1.150 56.935 58.100 -0.025 0.000 1.204 51 Y CB 0.339 38.797 38.460 -0.003 0.000 1.122 51 Y HN -0.173 nan 8.280 nan 0.000 0.514 52 K N 4.322 124.742 120.400 0.034 0.000 2.130 52 K HA 0.725 5.046 4.320 0.001 0.000 0.268 52 K C -0.887 175.686 176.600 -0.044 0.000 0.983 52 K CA -0.698 55.537 56.287 -0.086 0.000 0.893 52 K CB 2.202 34.309 32.500 -0.656 0.000 1.066 52 K HN 0.634 nan 8.250 nan 0.000 0.450 53 I N 0.821 121.445 120.570 0.091 0.000 2.918 53 I HA 0.277 4.448 4.170 0.001 0.000 0.301 53 I C -1.121 175.050 176.117 0.090 0.000 1.312 53 I CA -0.373 60.925 61.300 -0.003 0.000 1.007 53 I CB 2.535 40.428 38.000 -0.177 0.000 1.281 53 I HN 0.810 nan 8.210 nan 0.000 0.440 54 T N 1.749 116.359 114.554 0.093 0.000 2.924 54 T HA 0.301 4.652 4.350 0.001 0.000 0.291 54 T C 0.702 175.591 174.700 0.315 0.000 1.045 54 T CA -0.402 61.858 62.100 0.268 0.000 1.015 54 T CB 1.379 70.433 68.868 0.311 0.000 1.103 54 T HN 0.648 nan 8.240 nan 0.000 0.496 55 Y N 2.742 123.320 120.300 0.464 0.000 2.062 55 Y HA -0.104 4.447 4.550 0.001 0.000 0.276 55 Y C -1.098 175.006 175.900 0.339 0.000 1.189 55 Y CA 2.244 60.623 58.100 0.466 0.000 1.130 55 Y CB -1.615 37.059 38.460 0.358 0.000 0.959 55 Y HN 0.550 nan 8.280 nan 0.000 0.499 56 P HA -0.172 nan 4.420 nan 0.000 0.214 56 P C 1.188 178.584 177.300 0.160 0.000 1.163 56 P CA 2.581 65.871 63.100 0.316 0.000 0.883 56 P CB -0.095 31.793 31.700 0.314 0.000 0.788 57 E N -1.891 118.403 120.200 0.157 0.000 2.130 57 E HA -0.248 4.102 4.350 0.001 0.000 0.196 57 E C 1.966 178.564 176.600 -0.004 0.000 0.998 57 E CA 1.063 57.504 56.400 0.068 0.000 0.806 57 E CB -0.620 29.115 29.700 0.058 0.000 0.738 57 E HN 0.336 nan 8.360 nan 0.000 0.459 58 Y N 1.347 121.563 120.300 -0.139 0.000 2.084 58 Y HA -0.255 4.295 4.550 0.001 0.000 0.279 58 Y C 2.449 178.260 175.900 -0.149 0.000 1.119 58 Y CA 1.736 59.716 58.100 -0.199 0.000 1.101 58 Y CB -0.466 37.820 38.460 -0.289 0.000 0.989 58 Y HN -0.043 nan 8.280 nan 0.000 0.484 59 V N -1.779 118.118 119.914 -0.029 0.000 2.453 59 V HA -0.270 3.850 4.120 0.001 0.000 0.252 59 V C 2.250 178.298 176.094 -0.078 0.000 1.068 59 V CA 2.251 64.511 62.300 -0.066 0.000 1.070 59 V CB -1.527 30.254 31.823 -0.071 0.000 0.664 59 V HN 0.481 nan 8.190 nan 0.000 0.461 60 S N 0.308 115.973 115.700 -0.057 0.000 2.335 60 S HA -0.025 4.446 4.470 0.001 0.000 0.217 60 S C 1.884 176.436 174.600 -0.080 0.000 1.032 60 S CA 1.564 59.741 58.200 -0.038 0.000 0.985 60 S CB -0.435 62.765 63.200 0.001 0.000 0.896 60 S HN 0.593 nan 8.310 nan 0.000 0.445 61 I N 1.702 122.199 120.570 -0.120 0.000 2.163 61 I HA -0.202 3.969 4.170 0.001 0.000 0.243 61 I C 2.721 178.735 176.117 -0.172 0.000 1.085 61 I CA 1.226 62.444 61.300 -0.137 0.000 1.347 61 I CB -0.338 37.566 38.000 -0.159 0.000 1.044 61 I HN 0.350 nan 8.210 nan 0.000 0.408 62 Q N 0.165 119.784 119.800 -0.302 0.000 2.224 62 Q HA -0.207 4.134 4.340 0.001 0.000 0.203 62 Q C 2.144 178.069 176.000 -0.126 0.000 0.970 62 Q CA 1.174 56.810 55.803 -0.279 0.000 0.865 62 Q CB -0.539 27.874 28.738 -0.541 0.000 0.922 62 Q HN 0.526 nan 8.270 nan 0.000 0.445 63 R N 0.857 121.294 120.500 -0.105 0.000 2.081 63 R HA -0.163 4.178 4.340 0.001 0.000 0.235 63 R C 1.661 177.946 176.300 -0.025 0.000 1.131 63 R CA 1.399 57.470 56.100 -0.049 0.000 0.960 63 R CB 0.122 30.401 30.300 -0.035 0.000 0.856 63 R HN 0.014 nan 8.270 nan 0.000 0.436 64 E N 0.616 120.798 120.200 -0.030 0.000 2.072 64 E HA -0.100 4.251 4.350 0.001 0.000 0.191 64 E C 1.780 178.387 176.600 0.012 0.000 0.985 64 E CA 1.379 57.774 56.400 -0.008 0.000 0.801 64 E CB 0.140 29.830 29.700 -0.017 0.000 0.750 64 E HN 0.305 nan 8.360 nan 0.000 0.452 65 K N 0.391 120.790 120.400 -0.002 0.000 2.032 65 K HA -0.170 4.150 4.320 0.001 0.000 0.209 65 K C 1.724 178.381 176.600 0.094 0.000 1.048 65 K CA 1.529 57.832 56.287 0.027 0.000 0.927 65 K CB -0.177 32.326 32.500 0.005 0.000 0.712 65 K HN 0.126 nan 8.250 nan 0.000 0.441 66 D N 0.367 120.837 120.400 0.116 0.000 2.144 66 D HA -0.065 4.575 4.640 0.001 0.000 0.200 66 D C 2.016 178.485 176.300 0.282 0.000 0.978 66 D CA 0.860 55.014 54.000 0.258 0.000 0.833 66 D CB -0.101 40.786 40.800 0.144 0.000 0.961 66 D HN -0.004 nan 8.370 nan 0.000 0.470 67 S N 0.043 115.820 115.700 0.128 0.000 2.359 67 S HA -0.153 4.318 4.470 0.001 0.000 0.223 67 S C 2.070 176.762 174.600 0.153 0.000 1.039 67 S CA 1.449 59.716 58.200 0.112 0.000 1.042 67 S CB -0.686 62.546 63.200 0.053 0.000 0.915 67 S HN 0.420 nan 8.310 nan 0.000 0.439 68 G N 1.289 110.161 108.800 0.121 0.000 2.459 68 G HA2 -0.116 3.844 3.960 0.001 0.000 0.217 68 G HA3 -0.116 3.844 3.960 0.001 0.000 0.217 68 G C 1.602 176.588 174.900 0.144 0.000 1.183 68 G CA 1.098 46.261 45.100 0.106 0.000 0.776 68 G HN 0.598 nan 8.290 nan 0.000 0.552 69 A N 0.081 123.009 122.820 0.180 0.000 1.865 69 A HA -0.020 4.301 4.320 0.001 0.000 0.217 69 A C 2.270 179.992 177.584 0.230 0.000 1.191 69 A CA 1.671 53.825 52.037 0.195 0.000 0.623 69 A CB -0.751 18.333 19.000 0.139 0.000 0.826 69 A HN 0.443 nan 8.150 nan 0.000 0.444 70 Y N 0.208 120.642 120.300 0.223 0.000 2.352 70 Y HA -0.124 4.427 4.550 0.001 0.000 0.292 70 Y C 3.051 179.015 175.900 0.106 0.000 1.136 70 Y CA 1.340 59.550 58.100 0.183 0.000 1.227 70 Y CB -0.165 38.367 38.460 0.121 0.000 0.991 70 Y HN 0.276 nan 8.280 nan 0.000 0.545 71 S N 0.123 115.957 115.700 0.223 0.000 2.345 71 S HA -0.155 4.316 4.470 0.001 0.000 0.220 71 S C 2.029 176.684 174.600 0.092 0.000 1.031 71 S CA 1.320 59.599 58.200 0.132 0.000 0.996 71 S CB -0.440 62.820 63.200 0.101 0.000 0.882 71 S HN 0.334 nan 8.310 nan 0.000 0.445 72 I N 1.622 122.249 120.570 0.094 0.000 2.127 72 I HA -0.274 3.897 4.170 0.001 0.000 0.241 72 I C 2.506 178.651 176.117 0.046 0.000 1.075 72 I CA 1.488 62.831 61.300 0.072 0.000 1.334 72 I CB -0.363 37.694 38.000 0.094 0.000 1.040 72 I HN 0.277 nan 8.210 nan 0.000 0.405 73 K N 1.419 121.828 120.400 0.016 0.000 2.074 73 K HA -0.249 4.072 4.320 0.001 0.000 0.209 73 K C 2.154 178.704 176.600 -0.083 0.000 1.048 73 K CA 1.822 58.031 56.287 -0.130 0.000 0.926 73 K CB -0.194 32.010 32.500 -0.494 0.000 0.713 73 K HN 0.320 nan 8.250 nan 0.000 0.444 74 A N 0.895 123.706 122.820 -0.015 0.000 1.902 74 A HA -0.067 4.254 4.320 0.001 0.000 0.217 74 A C 2.381 179.969 177.584 0.008 0.000 1.181 74 A CA 1.829 53.871 52.037 0.008 0.000 0.623 74 A CB -0.939 18.093 19.000 0.054 0.000 0.818 74 A HN 0.519 nan 8.150 nan 0.000 0.443 75 A N -0.435 122.397 122.820 0.019 0.000 1.933 75 A HA 0.000 4.321 4.320 0.001 0.000 0.218 75 A C 1.940 179.534 177.584 0.017 0.000 1.175 75 A CA 1.535 53.584 52.037 0.019 0.000 0.628 75 A CB -0.466 18.547 19.000 0.022 0.000 0.814 75 A HN 0.483 nan 8.150 nan 0.000 0.444 76 L N -1.173 120.061 121.223 0.018 0.000 2.607 76 L HA 0.089 4.429 4.340 0.001 0.000 0.228 76 L C 2.031 178.916 176.870 0.025 0.000 1.123 76 L CA 0.528 55.388 54.840 0.032 0.000 0.890 76 L CB -0.202 41.888 42.059 0.052 0.000 1.103 76 L HN 0.463 nan 8.230 nan 0.000 0.468 77 E N 1.405 121.600 120.200 -0.008 0.000 2.021 77 E HA -0.242 4.109 4.350 0.001 0.000 0.200 77 E C 2.212 178.802 176.600 -0.016 0.000 1.015 77 E CA 1.617 57.997 56.400 -0.034 0.000 0.824 77 E CB 0.092 29.757 29.700 -0.058 0.000 0.762 77 E HN 0.140 nan 8.360 nan 0.000 0.454 78 R N 0.486 120.981 120.500 -0.008 0.000 2.249 78 R HA -0.135 4.206 4.340 0.001 0.000 0.230 78 R C 1.603 177.914 176.300 0.017 0.000 1.121 78 R CA 1.314 57.412 56.100 -0.002 0.000 0.997 78 R CB -0.563 29.737 30.300 0.000 0.000 0.867 78 R HN 0.378 nan 8.270 nan 0.000 0.465 79 D N 0.006 120.429 120.400 0.038 0.000 2.310 79 D HA -0.062 4.579 4.640 0.001 0.000 0.212 79 D C 0.638 176.990 176.300 0.086 0.000 0.965 79 D CA 0.890 54.931 54.000 0.068 0.000 0.879 79 D CB -0.116 40.740 40.800 0.094 0.000 0.921 79 D HN 0.320 nan 8.370 nan 0.000 0.510 80 G N 0.550 109.388 108.800 0.064 0.000 2.396 80 G HA2 -0.349 3.612 3.960 0.001 0.000 0.288 80 G HA3 -0.349 3.612 3.960 0.001 0.000 0.288 80 G C 0.547 175.504 174.900 0.096 0.000 0.926 80 G CA 0.564 45.694 45.100 0.050 0.000 1.211 80 G HN 0.443 nan 8.290 nan 0.000 0.496 81 F N 0.650 120.615 119.950 0.025 0.000 2.186 81 F HA -0.033 4.495 4.527 0.001 0.000 0.299 81 F C 2.366 178.209 175.800 0.072 0.000 1.090 81 F CA 1.937 59.965 58.000 0.047 0.000 1.307 81 F CB -0.216 38.817 39.000 0.056 0.000 1.019 81 F HN 0.283 nan 8.300 nan 0.000 0.489 82 V N 0.976 120.899 119.914 0.014 0.000 2.453 82 V HA -0.312 3.809 4.120 0.001 0.000 0.252 82 V C 1.780 177.803 176.094 -0.118 0.000 1.068 82 V CA 2.784 65.060 62.300 -0.039 0.000 1.070 82 V CB -0.679 31.177 31.823 0.054 0.000 0.664 82 V HN 0.424 nan 8.190 nan 0.000 0.461 83 D N 0.288 120.626 120.400 -0.105 0.000 2.312 83 D HA -0.083 4.558 4.640 0.001 0.000 0.211 83 D C 1.841 178.073 176.300 -0.114 0.000 0.964 83 D CA 1.331 55.287 54.000 -0.075 0.000 0.877 83 D CB -0.005 40.770 40.800 -0.041 0.000 0.924 83 D HN 0.749 nan 8.370 nan 0.000 0.515 84 R N -0.346 120.020 120.500 -0.222 0.000 2.600 84 R HA 0.519 4.860 4.340 0.001 0.000 0.392 84 R C 0.234 176.337 176.300 -0.329 0.000 1.032 84 R CA -0.366 55.613 56.100 -0.202 0.000 1.139 84 R CB 0.545 30.769 30.300 -0.126 0.000 1.400 84 R HN -0.150 nan 8.270 nan 0.000 0.566 85 A N 1.041 123.563 122.820 -0.497 0.000 2.302 85 A HA 0.199 4.519 4.320 0.001 0.000 0.285 85 A C -0.381 177.141 177.584 -0.103 0.000 1.105 85 A CA -0.503 51.245 52.037 -0.482 0.000 0.816 85 A CB 0.433 19.096 19.000 -0.563 0.000 1.067 85 A HN 0.357 nan 8.150 nan 0.000 0.489 86 D N 1.711 122.125 120.400 0.022 0.000 2.533 86 D HA 0.014 4.655 4.640 0.001 0.000 0.236 86 D C -1.240 175.100 176.300 0.067 0.000 1.137 86 D CA -1.057 52.996 54.000 0.089 0.000 0.867 86 D CB 0.966 41.860 40.800 0.157 0.000 1.170 86 D HN 0.194 nan 8.370 nan 0.000 0.474 87 P HA -0.113 nan 4.420 nan 0.000 0.218 87 P C 1.296 178.510 177.300 -0.144 0.000 1.148 87 P CA 1.096 64.090 63.100 -0.177 0.000 0.822 87 P CB 0.048 31.532 31.700 -0.361 0.000 0.784 88 G N -0.884 107.853 108.800 -0.105 0.000 2.422 88 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 88 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 88 G C 1.596 176.604 174.900 0.179 0.000 1.146 88 G CA 0.233 45.364 45.100 0.053 0.000 0.769 88 G HN 0.299 nan 8.290 nan 0.000 0.547 89 W N 0.987 122.280 121.300 -0.011 0.000 2.407 89 W HA -0.120 4.541 4.660 0.001 0.000 0.305 89 W C 2.135 178.613 176.519 -0.068 0.000 1.196 89 W CA 1.247 58.566 57.345 -0.042 0.000 1.311 89 W CB -0.134 29.315 29.460 -0.018 0.000 1.135 89 W HN 0.093 nan 8.180 nan 0.000 0.514 90 V N 1.123 120.966 119.914 -0.119 0.000 2.332 90 V HA -0.352 3.768 4.120 0.001 0.000 0.248 90 V C 2.452 178.371 176.094 -0.292 0.000 1.055 90 V CA 2.310 64.503 62.300 -0.179 0.000 1.038 90 V CB -1.392 30.429 31.823 -0.002 0.000 0.651 90 V HN 0.126 nan 8.190 nan 0.000 0.450 91 S N -0.138 115.459 115.700 -0.171 0.000 2.353 91 S HA -0.236 4.234 4.470 0.001 0.000 0.222 91 S C 2.122 176.527 174.600 -0.325 0.000 1.035 91 S CA 2.093 60.231 58.200 -0.105 0.000 1.025 91 S CB -0.566 62.723 63.200 0.148 0.000 0.902 91 S HN 0.720 nan 8.310 nan 0.000 0.440 92 T N 2.665 117.009 114.554 -0.350 0.000 2.653 92 T HA -0.185 4.166 4.350 0.001 0.000 0.268 92 T C 1.817 176.067 174.700 -0.751 0.000 1.035 92 T CA 1.674 63.424 62.100 -0.583 0.000 1.154 92 T CB -0.410 68.097 68.868 -0.603 0.000 0.862 92 T HN 0.332 nan 8.240 nan 0.000 0.441 93 M N 0.702 119.739 119.600 -0.938 0.000 2.077 93 M HA -0.117 4.364 4.480 0.001 0.000 0.261 93 M C 2.664 178.746 176.300 -0.364 0.000 1.070 93 M CA 1.609 56.422 55.300 -0.812 0.000 1.125 93 M CB -0.527 31.632 32.600 -0.736 0.000 1.339 93 M HN 0.269 nan 8.290 nan 0.000 0.409 94 Q N 0.104 119.667 119.800 -0.395 0.000 2.197 94 Q HA -0.226 4.115 4.340 0.001 0.000 0.207 94 Q C 2.026 178.093 176.000 0.112 0.000 0.984 94 Q CA 1.220 56.888 55.803 -0.225 0.000 0.869 94 Q CB -0.366 28.152 28.738 -0.366 0.000 0.906 94 Q HN 0.372 nan 8.270 nan 0.000 0.426 95 L N -0.203 120.833 121.223 -0.312 0.000 2.044 95 L HA -0.153 4.188 4.340 0.001 0.000 0.205 95 L C 2.251 179.025 176.870 -0.159 0.000 1.075 95 L CA 2.230 56.725 54.840 -0.575 0.000 0.747 95 L CB -0.930 40.324 42.059 -1.342 0.000 0.903 95 L HN 0.200 nan 8.230 nan 0.000 0.435 96 H N -0.933 117.938 119.070 -0.330 0.000 2.265 96 H HA -0.256 4.301 4.556 0.001 0.000 0.295 96 H C 1.946 177.243 175.328 -0.052 0.000 1.084 96 H CA 2.825 58.723 56.048 -0.250 0.000 1.261 96 H CB -0.448 29.062 29.762 -0.421 0.000 1.360 96 H HN 0.328 nan 8.280 nan 0.000 0.487 97 F N 0.111 120.195 119.950 0.222 0.000 2.134 97 F HA -0.037 4.491 4.527 0.001 0.000 0.299 97 F C 2.879 178.754 175.800 0.125 0.000 1.097 97 F CA 1.387 59.505 58.000 0.197 0.000 1.264 97 F CB -1.086 38.117 39.000 0.337 0.000 1.001 97 F HN 0.367 nan 8.300 nan 0.000 0.479 98 G N -0.863 108.166 108.800 0.382 0.000 2.422 98 G HA2 -0.096 3.865 3.960 0.001 0.000 0.218 98 G HA3 -0.096 3.865 3.960 0.001 0.000 0.218 98 G C 1.748 176.728 174.900 0.133 0.000 1.146 98 G CA 0.766 45.945 45.100 0.132 0.000 0.769 98 G HN 0.462 nan 8.290 nan 0.000 0.547 99 A N -0.451 122.547 122.820 0.296 0.000 2.195 99 A HA 0.425 4.746 4.320 0.001 0.000 0.210 99 A C 1.934 179.577 177.584 0.098 0.000 1.165 99 A CA 0.544 52.718 52.037 0.228 0.000 0.806 99 A CB 0.116 19.265 19.000 0.247 0.000 0.847 99 A HN 0.273 nan 8.150 nan 0.000 0.482 100 I N -1.549 119.028 120.570 0.011 0.000 3.718 100 I HA 0.156 4.327 4.170 0.001 0.000 0.297 100 I C 2.631 178.750 176.117 0.002 0.000 1.220 100 I CA 0.878 62.154 61.300 -0.040 0.000 1.381 100 I CB -1.377 36.502 38.000 -0.201 0.000 1.238 100 I HN 0.223 nan 8.210 nan 0.000 0.448 101 A N 1.606 124.479 122.820 0.088 0.000 1.869 101 A HA -0.236 4.085 4.320 0.001 0.000 0.218 101 A C 2.197 179.816 177.584 0.058 0.000 1.203 101 A CA 2.062 54.181 52.037 0.137 0.000 0.638 101 A CB -0.998 18.113 19.000 0.185 0.000 0.831 101 A HN 0.320 nan 8.150 nan 0.000 0.450 102 L N -0.388 120.818 121.223 -0.029 0.000 2.156 102 L HA -0.053 4.288 4.340 0.001 0.000 0.208 102 L C 2.370 179.198 176.870 -0.070 0.000 1.095 102 L CA 1.460 56.268 54.840 -0.054 0.000 0.770 102 L CB -0.587 41.361 42.059 -0.185 0.000 0.914 102 L HN 0.359 nan 8.230 nan 0.000 0.439 103 E N -0.348 119.738 120.200 -0.189 0.000 2.208 103 E HA -0.155 4.196 4.350 0.001 0.000 0.193 103 E C 1.956 178.350 176.600 -0.343 0.000 0.988 103 E CA 0.496 56.634 56.400 -0.436 0.000 0.828 103 E CB 0.081 29.220 29.700 -0.936 0.000 0.763 103 E HN 0.511 nan 8.360 nan 0.000 0.478 104 E N 0.272 120.399 120.200 -0.122 0.000 2.028 104 E HA -0.174 4.176 4.350 0.001 0.000 0.191 104 E C 2.012 178.637 176.600 0.042 0.000 0.988 104 E CA 0.728 57.148 56.400 0.034 0.000 0.799 104 E CB -0.406 29.405 29.700 0.185 0.000 0.755 104 E HN 0.295 nan 8.360 nan 0.000 0.447 105 Y N 1.482 121.758 120.300 -0.039 0.000 2.165 105 Y HA -0.214 4.337 4.550 0.001 0.000 0.286 105 Y C 2.219 178.079 175.900 -0.067 0.000 1.155 105 Y CA 1.435 59.512 58.100 -0.038 0.000 1.164 105 Y CB -0.481 37.955 38.460 -0.040 0.000 0.978 105 Y HN 0.008 nan 8.280 nan 0.000 0.513 106 A N 0.392 123.116 122.820 -0.160 0.000 1.933 106 A HA -0.109 4.212 4.320 0.001 0.000 0.218 106 A C 2.431 179.881 177.584 -0.223 0.000 1.175 106 A CA 1.740 53.644 52.037 -0.221 0.000 0.628 106 A CB -1.452 17.456 19.000 -0.154 0.000 0.814 106 A HN 0.585 nan 8.150 nan 0.000 0.444 107 A N -0.469 122.242 122.820 -0.182 0.000 2.024 107 A HA -0.112 4.209 4.320 0.001 0.000 0.220 107 A C 2.390 179.874 177.584 -0.167 0.000 1.164 107 A CA 2.048 54.010 52.037 -0.125 0.000 0.643 107 A CB -0.873 18.091 19.000 -0.060 0.000 0.806 107 A HN 0.668 nan 8.150 nan 0.000 0.451 108 S N -0.783 114.770 115.700 -0.245 0.000 2.383 108 S HA -0.166 4.305 4.470 0.001 0.000 0.229 108 S C 1.982 176.448 174.600 -0.224 0.000 1.030 108 S CA 2.352 60.395 58.200 -0.262 0.000 1.002 108 S CB -0.560 62.406 63.200 -0.390 0.000 0.829 108 S HN 0.604 nan 8.310 nan 0.000 0.467 109 T N 1.732 116.144 114.554 -0.237 0.000 2.857 109 T HA 0.179 4.530 4.350 0.001 0.000 0.266 109 T C 2.136 176.778 174.700 -0.096 0.000 1.048 109 T CA 1.073 63.078 62.100 -0.158 0.000 1.139 109 T CB -0.674 68.104 68.868 -0.150 0.000 0.874 109 T HN 0.539 nan 8.240 nan 0.000 0.455 110 A N 1.983 124.749 122.820 -0.091 0.000 1.883 110 A HA -0.160 4.161 4.320 0.001 0.000 0.217 110 A C 2.288 179.849 177.584 -0.039 0.000 1.186 110 A CA 1.368 53.378 52.037 -0.046 0.000 0.624 110 A CB -0.434 18.548 19.000 -0.030 0.000 0.822 110 A HN 0.340 nan 8.150 nan 0.000 0.444 111 E N -0.169 119.987 120.200 -0.072 0.000 2.153 111 E HA -0.132 4.219 4.350 0.001 0.000 0.194 111 E C 2.305 178.862 176.600 -0.071 0.000 0.988 111 E CA 1.140 57.496 56.400 -0.074 0.000 0.811 111 E CB -0.517 29.107 29.700 -0.127 0.000 0.746 111 E HN 0.602 nan 8.360 nan 0.000 0.466 112 A N 1.399 124.169 122.820 -0.083 0.000 1.933 112 A HA -0.195 4.126 4.320 0.001 0.000 0.218 112 A C 2.189 179.744 177.584 -0.048 0.000 1.175 112 A CA 1.605 53.592 52.037 -0.085 0.000 0.628 112 A CB -0.373 18.574 19.000 -0.089 0.000 0.814 112 A HN 0.045 nan 8.150 nan 0.000 0.444 113 R N -0.373 120.134 120.500 0.012 0.000 2.096 113 R HA -0.098 4.243 4.340 0.001 0.000 0.240 113 R C 2.137 178.508 176.300 0.119 0.000 1.139 113 R CA 2.383 58.559 56.100 0.127 0.000 0.952 113 R CB -0.525 29.827 30.300 0.087 0.000 0.854 113 R HN 0.605 nan 8.270 nan 0.000 0.436 114 M N -1.036 118.581 119.600 0.028 0.000 2.156 114 M HA -0.022 4.459 4.480 0.001 0.000 0.264 114 M C 2.254 178.518 176.300 -0.061 0.000 1.067 114 M CA 1.618 56.912 55.300 -0.010 0.000 1.131 114 M CB -0.250 32.336 32.600 -0.023 0.000 1.368 114 M HN 0.283 nan 8.290 nan 0.000 0.416 115 A N 0.412 123.181 122.820 -0.085 0.000 1.978 115 A HA -0.217 4.103 4.320 0.001 0.000 0.220 115 A C 2.158 179.637 177.584 -0.175 0.000 1.170 115 A CA 2.141 54.105 52.037 -0.123 0.000 0.636 115 A CB -0.498 18.422 19.000 -0.134 0.000 0.810 115 A HN 0.414 nan 8.150 nan 0.000 0.448 116 R N -1.955 118.379 120.500 -0.277 0.000 2.123 116 R HA 0.215 4.556 4.340 0.001 0.000 0.209 116 R C 1.011 176.936 176.300 -0.625 0.000 1.078 116 R CA 1.141 56.910 56.100 -0.551 0.000 1.028 116 R CB -0.509 29.239 30.300 -0.920 0.000 0.939 116 R HN 0.375 nan 8.270 nan 0.000 0.463 117 F N 0.642 120.570 119.950 -0.038 0.000 2.746 117 F HA 0.511 5.039 4.527 0.001 0.000 0.297 117 F C 0.820 176.670 175.800 0.085 0.000 1.113 117 F CA -0.138 57.885 58.000 0.038 0.000 1.367 117 F CB -0.251 38.732 39.000 -0.029 0.000 1.111 117 F HN 0.009 nan 8.300 nan 0.000 0.590 118 A N 0.658 123.515 122.820 0.062 0.000 2.425 118 A HA 0.177 4.498 4.320 0.001 0.000 0.249 118 A C 1.364 178.801 177.584 -0.245 0.000 1.084 118 A CA -0.222 51.709 52.037 -0.176 0.000 0.781 118 A CB 0.403 19.252 19.000 -0.252 0.000 1.019 118 A HN 0.353 nan 8.150 nan 0.000 0.490 119 K N 1.303 121.363 120.400 -0.568 0.000 2.361 119 K HA 0.124 4.444 4.320 0.001 0.000 0.196 119 K C 0.715 177.104 176.600 -0.353 0.000 1.039 119 K CA 0.796 56.691 56.287 -0.652 0.000 1.001 119 K CB 0.184 32.202 32.500 -0.803 0.000 0.795 119 K HN 0.742 nan 8.250 nan 0.000 0.495 120 A N 3.125 125.748 122.820 -0.327 0.000 2.350 120 A HA 0.159 4.480 4.320 0.001 0.000 0.293 120 A C -1.670 175.813 177.584 -0.168 0.000 1.231 120 A CA -1.334 50.609 52.037 -0.157 0.000 0.883 120 A CB 0.199 19.031 19.000 -0.280 0.000 1.133 120 A HN -0.020 nan 8.150 nan 0.000 0.533 121 P HA -0.190 nan 4.420 nan 0.000 0.217 121 P C 1.547 178.858 177.300 0.019 0.000 1.148 121 P CA 1.980 65.079 63.100 -0.003 0.000 0.828 121 P CB 0.099 31.826 31.700 0.046 0.000 0.783 122 G N 0.237 109.092 108.800 0.093 0.000 2.402 122 G HA2 -0.274 3.686 3.960 0.001 0.000 0.216 122 G HA3 -0.274 3.686 3.960 0.001 0.000 0.216 122 G C 1.718 176.711 174.900 0.154 0.000 1.162 122 G CA 0.631 45.864 45.100 0.221 0.000 0.777 122 G HN 0.261 nan 8.290 nan 0.000 0.539 123 N N 0.894 119.472 118.700 -0.204 0.000 2.120 123 N HA -0.066 4.675 4.740 0.001 0.000 0.188 123 N C 2.301 177.743 175.510 -0.113 0.000 1.024 123 N CA 0.833 53.692 53.050 -0.320 0.000 0.852 123 N CB -0.318 37.671 38.487 -0.830 0.000 1.003 123 N HN 0.288 nan 8.380 nan 0.000 0.424 124 R N -0.047 120.382 120.500 -0.118 0.000 2.081 124 R HA -0.022 4.319 4.340 0.001 0.000 0.235 124 R C 1.521 177.782 176.300 -0.066 0.000 1.131 124 R CA 1.240 57.291 56.100 -0.083 0.000 0.960 124 R CB -0.264 29.997 30.300 -0.066 0.000 0.856 124 R HN 0.337 nan 8.270 nan 0.000 0.436 125 N N 0.187 118.870 118.700 -0.028 0.000 2.173 125 N HA -0.058 4.683 4.740 0.001 0.000 0.184 125 N C 1.751 177.271 175.510 0.017 0.000 1.025 125 N CA 1.040 54.056 53.050 -0.056 0.000 0.852 125 N CB -0.120 38.371 38.487 0.008 0.000 0.998 125 N HN 0.067 nan 8.380 nan 0.000 0.427 126 M N 0.879 120.591 119.600 0.186 0.000 2.149 126 M HA -0.007 4.473 4.480 0.001 0.000 0.261 126 M C 1.948 178.371 176.300 0.204 0.000 1.064 126 M CA 0.810 56.299 55.300 0.315 0.000 1.102 126 M CB -1.217 31.579 32.600 0.328 0.000 1.369 126 M HN 0.113 nan 8.290 nan 0.000 0.408 127 A N -0.769 122.098 122.820 0.078 0.000 2.066 127 A HA -0.079 4.242 4.320 0.001 0.000 0.218 127 A C 2.235 179.780 177.584 -0.065 0.000 1.157 127 A CA 1.755 53.801 52.037 0.015 0.000 0.670 127 A CB -0.840 18.146 19.000 -0.023 0.000 0.804 127 A HN 0.479 nan 8.150 nan 0.000 0.453 128 T N -0.752 113.711 114.554 -0.151 0.000 2.904 128 T HA -0.017 4.334 4.350 0.001 0.000 0.267 128 T C 1.300 175.794 174.700 -0.342 0.000 1.059 128 T CA 1.166 63.095 62.100 -0.285 0.000 1.137 128 T CB -0.342 68.281 68.868 -0.408 0.000 0.879 128 T HN 0.430 nan 8.240 nan 0.000 0.467 129 F N 1.370 121.248 119.950 -0.119 0.000 2.416 129 F HA 0.261 4.789 4.527 0.001 0.000 0.296 129 F C 2.532 178.289 175.800 -0.071 0.000 1.099 129 F CA 0.068 57.936 58.000 -0.220 0.000 1.427 129 F CB -0.985 37.926 39.000 -0.148 0.000 1.079 129 F HN 0.192 nan 8.300 nan 0.000 0.536 130 G N -0.216 108.657 108.800 0.121 0.000 2.402 130 G HA2 -0.265 3.696 3.960 0.001 0.000 0.216 130 G HA3 -0.265 3.696 3.960 0.001 0.000 0.216 130 G C 1.746 176.549 174.900 -0.162 0.000 1.162 130 G CA 0.762 45.836 45.100 -0.042 0.000 0.777 130 G HN 0.314 nan 8.290 nan 0.000 0.539 131 M N -0.169 119.359 119.600 -0.120 0.000 2.080 131 M HA -0.071 4.410 4.480 0.001 0.000 0.260 131 M C 2.517 178.761 176.300 -0.094 0.000 1.068 131 M CA 1.532 56.753 55.300 -0.131 0.000 1.109 131 M CB -0.179 32.344 32.600 -0.128 0.000 1.342 131 M HN 0.122 nan 8.290 nan 0.000 0.405 132 M N 0.622 120.191 119.600 -0.053 0.000 2.080 132 M HA -0.215 4.266 4.480 0.001 0.000 0.260 132 M C 1.638 177.988 176.300 0.083 0.000 1.068 132 M CA 1.760 57.081 55.300 0.035 0.000 1.109 132 M CB -1.671 30.950 32.600 0.036 0.000 1.342 132 M HN 0.289 nan 8.290 nan 0.000 0.405 133 D N 0.423 120.872 120.400 0.082 0.000 2.106 133 D HA -0.173 4.468 4.640 0.001 0.000 0.191 133 D C 1.924 177.983 176.300 -0.402 0.000 0.997 133 D CA 1.217 55.196 54.000 -0.036 0.000 0.834 133 D CB -0.307 40.550 40.800 0.096 0.000 0.956 133 D HN 0.352 nan 8.370 nan 0.000 0.448 134 E N 0.664 120.659 120.200 -0.341 0.000 2.204 134 E HA -0.142 4.209 4.350 0.001 0.000 0.195 134 E C 1.810 178.382 176.600 -0.048 0.000 0.990 134 E CA 0.200 56.442 56.400 -0.263 0.000 0.821 134 E CB -0.440 29.151 29.700 -0.183 0.000 0.750 134 E HN 0.384 nan 8.360 nan 0.000 0.477 135 N N 1.607 120.304 118.700 -0.005 0.000 2.084 135 N HA -0.200 4.541 4.740 0.001 0.000 0.190 135 N C 1.936 177.553 175.510 0.179 0.000 1.030 135 N CA 1.022 54.152 53.050 0.133 0.000 0.849 135 N CB -0.037 38.516 38.487 0.110 0.000 1.012 135 N HN 0.146 nan 8.380 nan 0.000 0.423 136 R N -0.040 120.550 120.500 0.150 0.000 2.080 136 R HA -0.130 4.211 4.340 0.001 0.000 0.236 136 R C 2.146 178.651 176.300 0.343 0.000 1.137 136 R CA 1.671 57.915 56.100 0.240 0.000 0.943 136 R CB -0.473 29.992 30.300 0.274 0.000 0.846 136 R HN 0.535 nan 8.270 nan 0.000 0.431 137 H N -1.688 117.492 119.070 0.184 0.000 2.387 137 H HA -0.078 4.479 4.556 0.001 0.000 0.299 137 H C 2.017 177.463 175.328 0.198 0.000 1.099 137 H CA 0.558 56.721 56.048 0.192 0.000 1.315 137 H CB -0.094 29.791 29.762 0.206 0.000 1.380 137 H HN 0.479 nan 8.280 nan 0.000 0.513 138 G N 0.630 109.628 108.800 0.329 0.000 2.404 138 G HA2 -0.236 3.725 3.960 0.001 0.000 0.215 138 G HA3 -0.236 3.725 3.960 0.001 0.000 0.215 138 G C 1.505 176.531 174.900 0.210 0.000 1.174 138 G CA 0.528 45.795 45.100 0.278 0.000 0.780 138 G HN 0.397 nan 8.290 nan 0.000 0.537 139 Q N -0.306 119.619 119.800 0.208 0.000 1.990 139 Q HA 0.041 4.382 4.340 0.001 0.000 0.200 139 Q C 2.561 178.716 176.000 0.259 0.000 0.980 139 Q CA 1.076 56.988 55.803 0.183 0.000 0.832 139 Q CB -0.250 28.582 28.738 0.157 0.000 0.897 139 Q HN 0.489 nan 8.270 nan 0.000 0.427 140 I N 0.728 121.468 120.570 0.283 0.000 2.335 140 I HA -0.304 3.867 4.170 0.001 0.000 0.251 140 I C 1.723 177.978 176.117 0.229 0.000 1.129 140 I CA 1.328 62.802 61.300 0.291 0.000 1.402 140 I CB 0.114 38.204 38.000 0.150 0.000 1.069 140 I HN 0.268 nan 8.210 nan 0.000 0.424 141 Q N -0.128 119.809 119.800 0.228 0.000 2.415 141 Q HA 0.073 4.413 4.340 0.001 0.000 0.206 141 Q C 1.557 177.686 176.000 0.215 0.000 0.946 141 Q CA 0.221 56.212 55.803 0.315 0.000 0.951 141 Q CB 0.469 29.459 28.738 0.420 0.000 1.026 141 Q HN 0.572 nan 8.270 nan 0.000 0.510 142 L N -2.228 119.111 121.223 0.194 0.000 2.515 142 L HA 0.025 4.365 4.340 0.001 0.000 0.202 142 L C 1.603 178.573 176.870 0.168 0.000 1.056 142 L CA 0.140 55.061 54.840 0.135 0.000 0.847 142 L CB -0.119 42.022 42.059 0.138 0.000 1.131 142 L HN 0.218 nan 8.230 nan 0.000 0.484 143 Y N 0.511 120.898 120.300 0.144 0.000 2.114 143 Y HA -0.325 4.225 4.550 0.001 0.000 0.282 143 Y C 2.309 178.337 175.900 0.213 0.000 1.165 143 Y CA 1.805 60.017 58.100 0.186 0.000 1.148 143 Y CB -0.271 38.369 38.460 0.300 0.000 0.972 143 Y HN 0.005 nan 8.280 nan 0.000 0.504 144 F N 0.700 120.647 119.950 -0.005 0.000 2.075 144 F HA -0.147 4.380 4.527 0.001 0.000 0.297 144 F C -0.160 175.475 175.800 -0.274 0.000 1.113 144 F CA 1.588 59.517 58.000 -0.118 0.000 1.218 144 F CB -2.131 36.889 39.000 0.033 0.000 0.984 144 F HN 0.110 nan 8.300 nan 0.000 0.472 145 P HA -0.232 nan 4.420 nan 0.000 0.220 145 P C 1.540 178.730 177.300 -0.183 0.000 1.148 145 P CA 1.342 64.233 63.100 -0.349 0.000 0.803 145 P CB -0.472 30.895 31.700 -0.556 0.000 0.782 146 Y N 2.039 122.198 120.300 -0.235 0.000 2.298 146 Y HA -0.153 4.397 4.550 0.001 0.000 0.287 146 Y C 2.410 178.140 175.900 -0.283 0.000 1.164 146 Y CA 1.309 59.285 58.100 -0.206 0.000 1.229 146 Y CB -1.087 37.246 38.460 -0.211 0.000 0.977 146 Y HN -0.030 nan 8.280 nan 0.000 0.538 147 A N -0.250 122.355 122.820 -0.358 0.000 2.172 147 A HA -0.122 4.198 4.320 0.001 0.000 0.216 147 A C 1.426 178.720 177.584 -0.484 0.000 1.154 147 A CA 1.483 53.268 52.037 -0.419 0.000 0.701 147 A CB -0.413 18.363 19.000 -0.373 0.000 0.789 147 A HN 0.595 nan 8.150 nan 0.000 0.465 148 N N -0.389 117.936 118.700 -0.626 0.000 2.200 148 N HA 0.048 4.789 4.740 0.001 0.000 0.224 148 N C 1.347 176.560 175.510 -0.495 0.000 1.179 148 N CA 0.854 53.421 53.050 -0.805 0.000 0.877 148 N CB 0.469 37.830 38.487 -1.877 0.000 1.072 148 N HN 0.390 nan 8.380 nan 0.000 0.519 149 V N -0.760 118.973 119.914 -0.303 0.000 2.568 149 V HA -0.129 3.992 4.120 0.001 0.000 0.253 149 V C 1.808 177.872 176.094 -0.050 0.000 1.072 149 V CA 1.398 63.647 62.300 -0.084 0.000 1.084 149 V CB -0.600 31.120 31.823 -0.172 0.000 0.676 149 V HN 0.043 nan 8.190 nan 0.000 0.469 150 K N -0.057 120.262 120.400 -0.135 0.000 2.366 150 K HA 0.086 4.406 4.320 0.001 0.000 0.198 150 K C 2.343 178.928 176.600 -0.026 0.000 1.044 150 K CA 0.724 56.963 56.287 -0.080 0.000 0.973 150 K CB -0.083 32.347 32.500 -0.116 0.000 0.767 150 K HN 0.513 nan 8.250 nan 0.000 0.475 151 R N -0.460 120.031 120.500 -0.015 0.000 2.140 151 R HA 0.089 4.430 4.340 0.001 0.000 0.213 151 R C 0.477 176.889 176.300 0.186 0.000 1.059 151 R CA 0.405 56.542 56.100 0.062 0.000 1.000 151 R CB 0.512 30.825 30.300 0.022 0.000 0.910 151 R HN -0.096 nan 8.270 nan 0.000 0.455 152 S N -0.985 114.896 115.700 0.302 0.000 2.579 152 S HA 0.185 4.656 4.470 0.001 0.000 0.290 152 S C -0.333 174.433 174.600 0.276 0.000 1.123 152 S CA -0.799 57.560 58.200 0.265 0.000 0.894 152 S CB 1.583 64.933 63.200 0.250 0.000 1.095 152 S HN 0.100 nan 8.310 nan 0.000 0.450 153 R N 2.925 123.529 120.500 0.173 0.000 2.159 153 R HA 0.034 4.374 4.340 0.001 0.000 0.237 153 R C 1.738 178.174 176.300 0.226 0.000 1.131 153 R CA 2.070 58.285 56.100 0.191 0.000 0.982 153 R CB -0.227 30.168 30.300 0.158 0.000 0.868 153 R HN 0.705 nan 8.270 nan 0.000 0.453 154 K N -1.333 119.129 120.400 0.102 0.000 2.160 154 K HA -0.204 4.117 4.320 0.001 0.000 0.206 154 K C 1.583 178.227 176.600 0.074 0.000 1.047 154 K CA 1.773 58.059 56.287 -0.001 0.000 0.930 154 K CB -0.230 32.187 32.500 -0.137 0.000 0.720 154 K HN 0.348 nan 8.250 nan 0.000 0.450 155 W N 1.172 122.589 121.300 0.194 0.000 2.595 155 W HA -0.097 4.563 4.660 0.001 0.000 0.257 155 W C 1.662 178.287 176.519 0.177 0.000 1.267 155 W CA 0.550 58.002 57.345 0.177 0.000 1.300 155 W CB -0.159 29.355 29.460 0.090 0.000 1.120 155 W HN 0.187 nan 8.180 nan 0.000 0.618 156 D N -1.227 119.404 120.400 0.385 0.000 2.269 156 D HA -0.171 4.469 4.640 0.001 0.000 0.208 156 D C 1.427 177.869 176.300 0.236 0.000 0.963 156 D CA 0.944 55.113 54.000 0.282 0.000 0.864 156 D CB -0.218 40.725 40.800 0.238 0.000 0.936 156 D HN 0.035 nan 8.370 nan 0.000 0.505 157 W N 0.675 121.954 121.300 -0.035 0.000 2.961 157 W HA 0.292 4.953 4.660 0.001 0.000 0.240 157 W C 2.157 178.545 176.519 -0.219 0.000 1.305 157 W CA 0.502 57.696 57.345 -0.251 0.000 1.465 157 W CB -0.464 28.607 29.460 -0.647 0.000 1.135 157 W HN 0.033 nan 8.180 nan 0.000 0.688 158 A N -1.092 121.836 122.820 0.180 0.000 2.015 158 A HA -0.213 4.107 4.320 0.001 0.000 0.219 158 A C 1.915 179.574 177.584 0.126 0.000 1.163 158 A CA 1.897 54.059 52.037 0.209 0.000 0.646 158 A CB -0.629 18.531 19.000 0.266 0.000 0.806 158 A HN 0.440 nan 8.150 nan 0.000 0.448 159 H N -0.918 118.161 119.070 0.014 0.000 2.430 159 H HA 0.161 4.718 4.556 0.001 0.000 0.297 159 H C 1.932 177.224 175.328 -0.061 0.000 1.016 159 H CA 1.311 57.355 56.048 -0.006 0.000 1.294 159 H CB -0.008 29.765 29.762 0.018 0.000 1.465 159 H HN 0.467 nan 8.280 nan 0.000 0.547 160 K N 0.840 121.247 120.400 0.011 0.000 2.057 160 K HA -0.066 4.255 4.320 0.001 0.000 0.206 160 K C 2.173 178.454 176.600 -0.533 0.000 1.050 160 K CA 1.043 57.167 56.287 -0.271 0.000 0.935 160 K CB -0.074 32.033 32.500 -0.655 0.000 0.715 160 K HN 0.201 nan 8.250 nan 0.000 0.439 161 A N 2.199 124.613 122.820 -0.677 0.000 1.873 161 A HA -0.252 4.069 4.320 0.001 0.000 0.219 161 A C 1.905 179.270 177.584 -0.365 0.000 1.269 161 A CA 2.193 53.846 52.037 -0.640 0.000 0.671 161 A CB -0.958 17.654 19.000 -0.648 0.000 0.842 161 A HN 0.375 nan 8.150 nan 0.000 0.460 162 I N -0.169 120.227 120.570 -0.290 0.000 2.800 162 I HA -0.163 4.008 4.170 0.001 0.000 0.266 162 I C 1.529 177.465 176.117 -0.301 0.000 1.249 162 I CA 1.261 62.413 61.300 -0.247 0.000 1.458 162 I CB -1.629 36.203 38.000 -0.279 0.000 1.093 162 I HN 0.415 nan 8.210 nan 0.000 0.466 163 H N 0.351 119.304 119.070 -0.195 0.000 2.539 163 H HA 0.157 4.713 4.556 0.001 0.000 0.269 163 H C 1.108 176.324 175.328 -0.186 0.000 0.980 163 H CA 0.355 56.304 56.048 -0.165 0.000 1.152 163 H CB 0.390 30.053 29.762 -0.165 0.000 1.407 163 H HN 0.364 nan 8.280 nan 0.000 0.564 164 T N -2.257 112.220 114.554 -0.128 0.000 2.905 164 T HA 0.252 4.602 4.350 0.001 0.000 0.283 164 T C 0.711 175.387 174.700 -0.039 0.000 1.031 164 T CA -0.953 61.071 62.100 -0.128 0.000 1.002 164 T CB 1.779 70.508 68.868 -0.232 0.000 1.200 164 T HN -0.054 nan 8.240 nan 0.000 0.560 165 N N 0.919 119.596 118.700 -0.039 0.000 2.389 165 N HA 0.138 4.879 4.740 0.001 0.000 0.260 165 N C -0.226 175.393 175.510 0.182 0.000 1.191 165 N CA -0.231 52.835 53.050 0.027 0.000 0.885 165 N CB 0.391 38.775 38.487 -0.172 0.000 1.162 165 N HN 0.667 nan 8.380 nan 0.000 0.512 166 E N 1.426 121.769 120.200 0.238 0.000 2.376 166 E HA -0.087 4.264 4.350 0.001 0.000 0.266 166 E C 1.266 178.031 176.600 0.274 0.000 1.009 166 E CA -0.408 56.196 56.400 0.340 0.000 0.902 166 E CB 0.549 30.564 29.700 0.526 0.000 0.972 166 E HN 0.354 nan 8.360 nan 0.000 0.439 167 W N 5.039 126.484 121.300 0.241 0.000 2.308 167 W HA -0.307 4.353 4.660 0.001 0.000 0.301 167 W C 1.093 177.742 176.519 0.217 0.000 1.220 167 W CA 1.357 58.815 57.345 0.189 0.000 1.240 167 W CB -1.139 28.379 29.460 0.098 0.000 1.142 167 W HN 0.518 nan 8.180 nan 0.000 0.521 168 A N 1.783 124.131 122.820 -0.787 0.000 1.930 168 A HA 0.076 4.396 4.320 0.001 0.000 0.217 168 A C 2.399 179.984 177.584 0.002 0.000 1.175 168 A CA 2.832 54.486 52.037 -0.638 0.000 0.627 168 A CB -1.198 17.370 19.000 -0.719 0.000 0.815 168 A HN 0.411 nan 8.150 nan 0.000 0.443 169 A N -0.023 122.898 122.820 0.168 0.000 1.933 169 A HA -0.077 4.244 4.320 0.001 0.000 0.218 169 A C 2.093 179.782 177.584 0.174 0.000 1.175 169 A CA 1.496 53.651 52.037 0.196 0.000 0.628 169 A CB -0.580 18.514 19.000 0.157 0.000 0.814 169 A HN 0.506 nan 8.150 nan 0.000 0.444 170 I N -0.391 120.296 120.570 0.196 0.000 2.252 170 I HA -0.255 3.916 4.170 0.001 0.000 0.245 170 I C 2.947 179.202 176.117 0.231 0.000 1.102 170 I CA 0.996 62.434 61.300 0.230 0.000 1.385 170 I CB -0.334 37.837 38.000 0.286 0.000 1.064 170 I HN 0.358 nan 8.210 nan 0.000 0.414 171 A N 0.765 123.720 122.820 0.225 0.000 1.933 171 A HA -0.135 4.185 4.320 0.001 0.000 0.218 171 A C 2.526 180.215 177.584 0.174 0.000 1.175 171 A CA 1.786 53.944 52.037 0.202 0.000 0.628 171 A CB -0.698 18.425 19.000 0.206 0.000 0.814 171 A HN 0.430 nan 8.150 nan 0.000 0.444 172 A N 0.019 122.955 122.820 0.193 0.000 1.841 172 A HA -0.147 4.174 4.320 0.001 0.000 0.214 172 A C 2.234 180.029 177.584 0.353 0.000 1.195 172 A CA 1.433 53.640 52.037 0.282 0.000 0.611 172 A CB -0.531 18.664 19.000 0.325 0.000 0.835 172 A HN 0.515 nan 8.150 nan 0.000 0.443 173 R N -0.452 120.210 120.500 0.271 0.000 2.127 173 R HA -0.116 4.224 4.340 0.001 0.000 0.238 173 R C 2.579 178.985 176.300 0.177 0.000 1.134 173 R CA 1.369 57.605 56.100 0.226 0.000 0.975 173 R CB -0.508 29.885 30.300 0.155 0.000 0.865 173 R HN 0.569 nan 8.270 nan 0.000 0.447 174 S N 0.519 116.320 115.700 0.168 0.000 2.370 174 S HA -0.192 4.279 4.470 0.001 0.000 0.226 174 S C 1.646 176.309 174.600 0.105 0.000 1.033 174 S CA 1.285 59.554 58.200 0.115 0.000 1.011 174 S CB -0.229 63.045 63.200 0.123 0.000 0.852 174 S HN 0.369 nan 8.310 nan 0.000 0.457 175 F N 1.153 121.060 119.950 -0.072 0.000 2.074 175 F HA 0.081 4.609 4.527 0.001 0.000 0.293 175 F C 1.665 177.296 175.800 -0.282 0.000 1.116 175 F CA 1.453 59.310 58.000 -0.238 0.000 1.212 175 F CB -0.876 37.838 39.000 -0.477 0.000 0.998 175 F HN 0.246 nan 8.300 nan 0.000 0.471 176 F N 1.273 121.104 119.950 -0.198 0.000 2.171 176 F HA -0.180 4.347 4.527 0.001 0.000 0.300 176 F C 2.295 177.941 175.800 -0.255 0.000 1.090 176 F CA 1.741 59.534 58.000 -0.344 0.000 1.293 176 F CB -1.094 37.837 39.000 -0.115 0.000 1.013 176 F HN 0.020 nan 8.300 nan 0.000 0.486 177 D N -0.336 120.078 120.400 0.024 0.000 2.178 177 D HA -0.163 4.478 4.640 0.001 0.000 0.202 177 D C 1.923 178.175 176.300 -0.080 0.000 0.974 177 D CA 1.289 55.282 54.000 -0.012 0.000 0.841 177 D CB -0.439 40.373 40.800 0.019 0.000 0.953 177 D HN 0.212 nan 8.370 nan 0.000 0.478 178 D N -0.714 119.616 120.400 -0.117 0.000 2.123 178 D HA -0.075 4.565 4.640 0.001 0.000 0.200 178 D C 1.867 178.070 176.300 -0.162 0.000 0.976 178 D CA 0.765 54.695 54.000 -0.116 0.000 0.831 178 D CB 0.137 40.926 40.800 -0.020 0.000 0.974 178 D HN -0.032 nan 8.370 nan 0.000 0.469 179 M N -0.414 118.997 119.600 -0.315 0.000 2.248 179 M HA 0.060 4.541 4.480 0.001 0.000 0.265 179 M C 2.136 178.345 176.300 -0.152 0.000 1.079 179 M CA 1.042 56.162 55.300 -0.300 0.000 1.150 179 M CB -0.614 31.595 32.600 -0.652 0.000 1.366 179 M HN 0.280 nan 8.290 nan 0.000 0.433 180 M N -3.534 115.988 119.600 -0.129 0.000 2.260 180 M HA 0.227 4.708 4.480 0.001 0.000 0.295 180 M C 1.102 177.380 176.300 -0.037 0.000 1.042 180 M CA 0.224 55.496 55.300 -0.046 0.000 1.116 180 M CB 0.376 32.975 32.600 -0.003 0.000 1.796 180 M HN -0.089 nan 8.290 nan 0.000 0.617 181 M N 1.443 121.016 119.600 -0.045 0.000 2.501 181 M HA 0.197 4.678 4.480 0.001 0.000 0.261 181 M C 1.304 177.575 176.300 -0.049 0.000 1.129 181 M CA 1.239 56.515 55.300 -0.040 0.000 1.126 181 M CB -0.523 32.060 32.600 -0.028 0.000 1.359 181 M HN 0.501 nan 8.290 nan 0.000 0.471 182 T N -1.924 112.592 114.554 -0.064 0.000 3.252 182 T HA 0.377 4.728 4.350 0.001 0.000 0.286 182 T C 0.450 175.099 174.700 -0.085 0.000 1.013 182 T CA -0.499 61.554 62.100 -0.077 0.000 0.914 182 T CB 0.728 69.541 68.868 -0.092 0.000 1.131 182 T HN -0.011 nan 8.240 nan 0.000 0.529 183 R N 2.228 122.686 120.500 -0.069 0.000 2.787 183 R HA 0.500 4.840 4.340 0.001 0.000 0.271 183 R C -0.571 175.692 176.300 -0.062 0.000 0.993 183 R CA -0.575 55.489 56.100 -0.061 0.000 0.993 183 R CB 1.204 31.483 30.300 -0.036 0.000 1.155 183 R HN 0.576 nan 8.270 nan 0.000 0.486 184 D N -0.741 119.620 120.400 -0.065 0.000 2.361 184 D HA -0.014 4.627 4.640 0.001 0.000 0.239 184 D C 1.003 177.277 176.300 -0.043 0.000 1.200 184 D CA -0.382 53.571 54.000 -0.079 0.000 0.915 184 D CB 0.648 41.400 40.800 -0.079 0.000 1.170 184 D HN 0.289 nan 8.370 nan 0.000 0.444 185 S N 0.263 115.941 115.700 -0.038 0.000 2.377 185 S HA -0.237 4.233 4.470 0.001 0.000 0.224 185 S C 1.908 176.480 174.600 -0.046 0.000 1.042 185 S CA 1.614 59.802 58.200 -0.021 0.000 1.086 185 S CB -0.594 62.598 63.200 -0.014 0.000 0.995 185 S HN 0.435 nan 8.310 nan 0.000 0.428 186 V N 2.298 122.153 119.914 -0.099 0.000 2.324 186 V HA -0.228 3.893 4.120 0.001 0.000 0.250 186 V C 2.808 178.929 176.094 0.045 0.000 1.060 186 V CA 1.999 64.266 62.300 -0.055 0.000 1.042 186 V CB -1.472 30.326 31.823 -0.042 0.000 0.650 186 V HN 0.651 nan 8.190 nan 0.000 0.450 187 A N -0.369 122.472 122.820 0.035 0.000 1.877 187 A HA -0.175 4.146 4.320 0.001 0.000 0.216 187 A C 2.415 180.047 177.584 0.079 0.000 1.186 187 A CA 2.132 54.205 52.037 0.060 0.000 0.620 187 A CB -0.779 18.238 19.000 0.028 0.000 0.822 187 A HN 0.324 nan 8.150 nan 0.000 0.443 188 V N 1.110 121.057 119.914 0.055 0.000 2.282 188 V HA -0.294 3.827 4.120 0.001 0.000 0.249 188 V C 3.042 179.213 176.094 0.129 0.000 1.057 188 V CA 2.589 64.932 62.300 0.071 0.000 1.032 188 V CB -0.999 30.851 31.823 0.044 0.000 0.645 188 V HN 0.852 nan 8.190 nan 0.000 0.447 189 S N -0.551 115.227 115.700 0.130 0.000 2.419 189 S HA -0.129 4.341 4.470 0.001 0.000 0.233 189 S C 1.830 176.585 174.600 0.258 0.000 1.016 189 S CA 1.739 60.054 58.200 0.191 0.000 0.974 189 S CB -0.513 62.793 63.200 0.176 0.000 0.786 189 S HN 0.575 nan 8.310 nan 0.000 0.492 190 I N 0.788 121.500 120.570 0.237 0.000 2.364 190 I HA -0.015 4.156 4.170 0.001 0.000 0.241 190 I C 2.730 179.075 176.117 0.380 0.000 1.082 190 I CA 1.052 62.531 61.300 0.299 0.000 1.401 190 I CB -0.292 37.837 38.000 0.215 0.000 1.126 190 I HN 0.257 nan 8.210 nan 0.000 0.429 191 M N 0.018 119.785 119.600 0.279 0.000 2.175 191 M HA -0.175 4.306 4.480 0.001 0.000 0.264 191 M C 2.229 178.705 176.300 0.293 0.000 1.063 191 M CA 1.700 57.164 55.300 0.272 0.000 1.119 191 M CB -0.278 32.417 32.600 0.158 0.000 1.377 191 M HN 0.262 nan 8.290 nan 0.000 0.415 192 L N 0.109 121.487 121.223 0.260 0.000 2.115 192 L HA -0.029 4.312 4.340 0.001 0.000 0.200 192 L C 2.708 179.823 176.870 0.408 0.000 1.094 192 L CA 2.221 57.244 54.840 0.305 0.000 0.769 192 L CB -1.045 41.139 42.059 0.209 0.000 0.931 192 L HN 0.364 nan 8.230 nan 0.000 0.455 193 T N -2.579 112.189 114.554 0.356 0.000 2.857 193 T HA -0.169 4.182 4.350 0.001 0.000 0.266 193 T C 1.820 176.730 174.700 0.349 0.000 1.048 193 T CA 1.451 63.767 62.100 0.361 0.000 1.139 193 T CB -0.867 68.209 68.868 0.346 0.000 0.874 193 T HN 0.308 nan 8.240 nan 0.000 0.455 194 F N 2.447 122.554 119.950 0.261 0.000 2.104 194 F HA 0.436 4.964 4.527 0.001 0.000 0.288 194 F C 2.634 178.628 175.800 0.323 0.000 1.107 194 F CA 0.749 58.897 58.000 0.247 0.000 1.208 194 F CB -0.981 38.157 39.000 0.231 0.000 1.033 194 F HN 0.232 nan 8.300 nan 0.000 0.478 195 A N 0.331 123.334 122.820 0.306 0.000 1.835 195 A HA -0.189 4.132 4.320 0.001 0.000 0.215 195 A C 2.178 180.045 177.584 0.472 0.000 1.199 195 A CA 1.886 54.139 52.037 0.361 0.000 0.615 195 A CB -1.702 17.607 19.000 0.516 0.000 0.838 195 A HN 0.544 nan 8.150 nan 0.000 0.444 196 F N 0.515 120.677 119.950 0.354 0.000 2.074 196 F HA -0.019 4.509 4.527 0.001 0.000 0.293 196 F C 2.324 178.311 175.800 0.311 0.000 1.116 196 F CA 2.044 60.272 58.000 0.381 0.000 1.212 196 F CB -0.388 38.845 39.000 0.388 0.000 0.998 196 F HN 0.355 nan 8.300 nan 0.000 0.471 197 E N -0.599 119.679 120.200 0.131 0.000 2.016 197 E HA -0.144 4.207 4.350 0.001 0.000 0.190 197 E C 2.104 178.641 176.600 -0.104 0.000 0.985 197 E CA 1.817 58.195 56.400 -0.036 0.000 0.802 197 E CB -0.516 29.299 29.700 0.192 0.000 0.762 197 E HN 0.291 nan 8.360 nan 0.000 0.448 198 T N 0.218 114.743 114.554 -0.048 0.000 2.788 198 T HA -0.114 4.237 4.350 0.001 0.000 0.268 198 T C 1.804 176.318 174.700 -0.310 0.000 1.044 198 T CA 1.205 63.224 62.100 -0.135 0.000 1.139 198 T CB -0.414 68.399 68.868 -0.091 0.000 0.867 198 T HN 0.353 nan 8.240 nan 0.000 0.454 199 G N -0.587 108.006 108.800 -0.345 0.000 2.396 199 G HA2 0.076 4.037 3.960 0.001 0.000 0.214 199 G HA3 0.076 4.037 3.960 0.001 0.000 0.214 199 G C 1.000 175.517 174.900 -0.638 0.000 1.166 199 G CA 0.291 45.006 45.100 -0.642 0.000 0.793 199 G HN 0.478 nan 8.290 nan 0.000 0.533 200 F N 0.319 120.019 119.950 -0.416 0.000 2.444 200 F HA 0.114 4.642 4.527 0.001 0.000 0.263 200 F C 3.006 178.619 175.800 -0.313 0.000 0.912 200 F CA 0.588 58.298 58.000 -0.485 0.000 1.122 200 F CB -0.416 38.105 39.000 -0.798 0.000 1.246 200 F HN 0.123 nan 8.300 nan 0.000 0.752 201 S N 0.581 116.119 115.700 -0.269 0.000 2.423 201 S HA -0.262 4.209 4.470 0.001 0.000 0.238 201 S C 1.818 176.327 174.600 -0.151 0.000 1.028 201 S CA 1.773 59.870 58.200 -0.171 0.000 1.000 201 S CB -0.782 62.146 63.200 -0.454 0.000 0.797 201 S HN 0.375 nan 8.310 nan 0.000 0.487 202 N N 0.915 119.521 118.700 -0.157 0.000 2.062 202 N HA -0.044 4.697 4.740 0.001 0.000 0.191 202 N C 1.713 177.223 175.510 -0.000 0.000 1.042 202 N CA 1.808 54.793 53.050 -0.108 0.000 0.845 202 N CB -0.371 38.040 38.487 -0.126 0.000 1.024 202 N HN 0.405 nan 8.380 nan 0.000 0.424 203 M N 1.752 121.353 119.600 0.002 0.000 2.175 203 M HA -0.084 4.397 4.480 0.001 0.000 0.264 203 M C 2.077 178.539 176.300 0.270 0.000 1.063 203 M CA 1.213 56.533 55.300 0.033 0.000 1.119 203 M CB -0.606 31.967 32.600 -0.044 0.000 1.377 203 M HN 0.187 nan 8.290 nan 0.000 0.415 204 Q N -0.911 119.167 119.800 0.464 0.000 2.030 204 Q HA -0.221 4.120 4.340 0.001 0.000 0.204 204 Q C 1.938 178.190 176.000 0.420 0.000 0.986 204 Q CA 1.973 58.125 55.803 0.581 0.000 0.843 204 Q CB -0.359 28.840 28.738 0.768 0.000 0.904 204 Q HN 0.433 nan 8.270 nan 0.000 0.420 205 F N 0.512 120.534 119.950 0.120 0.000 2.192 205 F HA -0.229 4.298 4.527 0.001 0.000 0.301 205 F C 2.163 177.956 175.800 -0.013 0.000 1.079 205 F CA 0.682 58.704 58.000 0.037 0.000 1.303 205 F CB -0.630 38.378 39.000 0.015 0.000 1.024 205 F HN 0.173 nan 8.300 nan 0.000 0.494 206 L N -0.149 121.167 121.223 0.155 0.000 2.017 206 L HA -0.125 4.215 4.340 0.001 0.000 0.208 206 L C 2.736 179.597 176.870 -0.014 0.000 1.073 206 L CA 2.143 56.988 54.840 0.008 0.000 0.745 206 L CB -1.740 40.261 42.059 -0.096 0.000 0.894 206 L HN 0.176 nan 8.230 nan 0.000 0.432 207 G N -1.206 107.615 108.800 0.035 0.000 2.402 207 G HA2 -0.245 3.716 3.960 0.001 0.000 0.216 207 G HA3 -0.245 3.716 3.960 0.001 0.000 0.216 207 G C 1.617 176.507 174.900 -0.017 0.000 1.162 207 G CA 0.757 45.864 45.100 0.011 0.000 0.777 207 G HN 0.351 nan 8.290 nan 0.000 0.539 208 L N 1.486 122.701 121.223 -0.012 0.000 2.083 208 L HA 0.137 4.477 4.340 0.001 0.000 0.209 208 L C 2.936 179.818 176.870 0.020 0.000 1.083 208 L CA 2.090 56.924 54.840 -0.009 0.000 0.752 208 L CB -0.691 41.299 42.059 -0.114 0.000 0.899 208 L HN 0.222 nan 8.230 nan 0.000 0.433 209 A N -0.623 122.167 122.820 -0.051 0.000 1.930 209 A HA -0.010 4.310 4.320 0.001 0.000 0.217 209 A C 2.437 179.999 177.584 -0.037 0.000 1.175 209 A CA 1.602 53.606 52.037 -0.055 0.000 0.627 209 A CB -1.016 17.936 19.000 -0.079 0.000 0.815 209 A HN 0.573 nan 8.150 nan 0.000 0.443 210 A N 0.166 122.960 122.820 -0.044 0.000 1.855 210 A HA -0.138 4.183 4.320 0.001 0.000 0.215 210 A C 1.780 179.310 177.584 -0.090 0.000 1.191 210 A CA 1.808 53.811 52.037 -0.056 0.000 0.613 210 A CB -0.661 18.311 19.000 -0.045 0.000 0.829 210 A HN 0.411 nan 8.150 nan 0.000 0.442 211 D N 0.265 120.617 120.400 -0.080 0.000 2.116 211 D HA -0.141 4.500 4.640 0.001 0.000 0.193 211 D C 2.222 178.305 176.300 -0.361 0.000 0.998 211 D CA 1.755 55.667 54.000 -0.146 0.000 0.836 211 D CB -0.483 40.297 40.800 -0.034 0.000 0.951 211 D HN 0.420 nan 8.370 nan 0.000 0.449 212 A N 0.980 123.641 122.820 -0.264 0.000 1.865 212 A HA -0.103 4.218 4.320 0.001 0.000 0.217 212 A C 2.343 179.656 177.584 -0.453 0.000 1.191 212 A CA 2.713 54.487 52.037 -0.438 0.000 0.623 212 A CB -1.021 18.121 19.000 0.235 0.000 0.826 212 A HN 0.249 nan 8.150 nan 0.000 0.444 213 A N -0.197 122.475 122.820 -0.247 0.000 1.873 213 A HA -0.258 4.063 4.320 0.001 0.000 0.218 213 A C 1.962 179.381 177.584 -0.274 0.000 1.193 213 A CA 2.442 54.351 52.037 -0.212 0.000 0.629 213 A CB -0.699 18.260 19.000 -0.068 0.000 0.826 213 A HN 0.565 nan 8.150 nan 0.000 0.447 214 E N 0.211 120.267 120.200 -0.240 0.000 2.267 214 E HA -0.078 4.273 4.350 0.001 0.000 0.197 214 E C 1.549 177.977 176.600 -0.287 0.000 0.998 214 E CA 1.394 57.665 56.400 -0.215 0.000 0.830 214 E CB -0.396 29.199 29.700 -0.175 0.000 0.751 214 E HN 0.513 nan 8.360 nan 0.000 0.491 215 A N -0.857 121.677 122.820 -0.476 0.000 2.275 215 A HA 0.436 4.757 4.320 0.001 0.000 0.212 215 A C 1.682 179.035 177.584 -0.384 0.000 1.201 215 A CA 0.664 52.398 52.037 -0.505 0.000 0.843 215 A CB -0.498 17.862 19.000 -1.067 0.000 0.873 215 A HN 0.464 nan 8.150 nan 0.000 0.492 216 G N -0.382 108.093 108.800 -0.541 0.000 2.143 216 G HA2 -0.235 3.726 3.960 0.001 0.000 0.248 216 G HA3 -0.235 3.726 3.960 0.001 0.000 0.248 216 G C -0.076 173.933 174.900 -1.486 0.000 0.991 216 G CA 0.346 44.991 45.100 -0.759 0.000 0.689 216 G HN 0.514 nan 8.290 nan 0.000 0.522 217 D N 0.013 119.710 120.400 -1.171 0.000 2.505 217 D HA 0.323 4.963 4.640 0.001 0.000 0.242 217 D C 1.431 177.448 176.300 -0.471 0.000 1.136 217 D CA -0.612 52.879 54.000 -0.847 0.000 0.954 217 D CB -0.027 40.731 40.800 -0.070 0.000 1.002 217 D HN 0.421 nan 8.370 nan 0.000 0.512 218 H N 1.011 119.955 119.070 -0.210 0.000 2.428 218 H HA -0.044 4.513 4.556 0.001 0.000 0.296 218 H C 1.498 176.855 175.328 0.049 0.000 1.062 218 H CA 0.899 56.904 56.048 -0.071 0.000 1.350 218 H CB 0.059 29.764 29.762 -0.096 0.000 1.403 218 H HN 0.317 nan 8.280 nan 0.000 0.533 219 T N 1.302 115.963 114.554 0.178 0.000 2.684 219 T HA -0.171 4.180 4.350 0.001 0.000 0.267 219 T C 1.820 176.752 174.700 0.386 0.000 1.036 219 T CA 1.231 63.491 62.100 0.266 0.000 1.148 219 T CB -0.497 68.509 68.868 0.231 0.000 0.863 219 T HN 0.203 nan 8.240 nan 0.000 0.436 220 F N 1.554 121.645 119.950 0.235 0.000 2.259 220 F HA 0.199 4.726 4.527 0.001 0.000 0.298 220 F C 2.360 178.209 175.800 0.081 0.000 1.088 220 F CA 0.554 58.687 58.000 0.222 0.000 1.358 220 F CB -0.375 38.825 39.000 0.333 0.000 1.040 220 F HN 0.122 nan 8.300 nan 0.000 0.505 221 A N -0.749 122.175 122.820 0.173 0.000 1.898 221 A HA -0.123 4.198 4.320 0.001 0.000 0.216 221 A C 2.345 179.906 177.584 -0.038 0.000 1.181 221 A CA 1.879 53.937 52.037 0.035 0.000 0.620 221 A CB -1.093 17.928 19.000 0.036 0.000 0.819 221 A HN 0.371 nan 8.150 nan 0.000 0.442 222 S N -0.241 115.473 115.700 0.023 0.000 2.348 222 S HA -0.149 4.322 4.470 0.001 0.000 0.221 222 S C 1.896 176.445 174.600 -0.086 0.000 1.033 222 S CA 1.411 59.615 58.200 0.008 0.000 1.010 222 S CB -0.587 62.663 63.200 0.084 0.000 0.891 222 S HN 0.537 nan 8.310 nan 0.000 0.442 223 L N 2.308 123.442 121.223 -0.148 0.000 1.971 223 L HA -0.142 4.199 4.340 0.001 0.000 0.215 223 L C 1.960 178.571 176.870 -0.432 0.000 1.072 223 L CA 1.824 56.412 54.840 -0.420 0.000 0.758 223 L CB -0.777 40.865 42.059 -0.695 0.000 0.889 223 L HN 0.186 nan 8.230 nan 0.000 0.433 224 I N 0.017 120.250 120.570 -0.560 0.000 2.113 224 I HA -0.264 3.906 4.170 0.001 0.000 0.238 224 I C 2.752 178.729 176.117 -0.232 0.000 1.070 224 I CA 1.876 62.855 61.300 -0.535 0.000 1.332 224 I CB -1.727 35.839 38.000 -0.722 0.000 1.044 224 I HN 0.586 nan 8.210 nan 0.000 0.402 225 S N -0.443 115.158 115.700 -0.165 0.000 2.442 225 S HA -0.159 4.312 4.470 0.001 0.000 0.236 225 S C 2.175 176.745 174.600 -0.049 0.000 1.007 225 S CA 1.468 59.626 58.200 -0.070 0.000 0.965 225 S CB -0.575 62.591 63.200 -0.058 0.000 0.773 225 S HN 0.414 nan 8.310 nan 0.000 0.504 226 S N 1.433 117.088 115.700 -0.075 0.000 2.338 226 S HA -0.001 4.470 4.470 0.001 0.000 0.218 226 S C 1.857 176.441 174.600 -0.027 0.000 1.032 226 S CA 1.015 59.188 58.200 -0.044 0.000 0.999 226 S CB -0.523 62.646 63.200 -0.051 0.000 0.905 226 S HN 0.445 nan 8.310 nan 0.000 0.439 227 I N 2.313 122.837 120.570 -0.077 0.000 2.151 227 I HA -0.185 3.986 4.170 0.001 0.000 0.243 227 I C 2.732 178.839 176.117 -0.017 0.000 1.080 227 I CA 1.516 62.733 61.300 -0.140 0.000 1.339 227 I CB -1.621 36.240 38.000 -0.231 0.000 1.039 227 I HN 0.483 nan 8.210 nan 0.000 0.409 228 Q N 0.693 120.542 119.800 0.081 0.000 2.152 228 Q HA -0.231 4.109 4.340 0.001 0.000 0.206 228 Q C 2.182 178.195 176.000 0.022 0.000 0.985 228 Q CA 2.679 58.542 55.803 0.101 0.000 0.863 228 Q CB -0.240 28.578 28.738 0.135 0.000 0.904 228 Q HN 0.706 nan 8.270 nan 0.000 0.422 229 T N -1.906 112.654 114.554 0.010 0.000 2.977 229 T HA -0.110 4.240 4.350 0.001 0.000 0.271 229 T C 1.078 175.776 174.700 -0.004 0.000 1.105 229 T CA 1.323 63.413 62.100 -0.017 0.000 1.116 229 T CB -0.070 68.783 68.868 -0.024 0.000 0.878 229 T HN 0.141 nan 8.240 nan 0.000 0.509 230 D N 0.849 121.289 120.400 0.066 0.000 2.249 230 D HA 0.041 4.681 4.640 0.001 0.000 0.205 230 D C 2.083 178.386 176.300 0.005 0.000 0.962 230 D CA 0.596 54.671 54.000 0.124 0.000 0.860 230 D CB -0.263 40.745 40.800 0.346 0.000 0.955 230 D HN 0.387 nan 8.370 nan 0.000 0.505 231 E N 0.965 121.132 120.200 -0.055 0.000 2.086 231 E HA -0.201 4.149 4.350 0.001 0.000 0.200 231 E C 1.926 178.336 176.600 -0.318 0.000 1.012 231 E CA 1.245 57.480 56.400 -0.277 0.000 0.812 231 E CB -0.353 29.250 29.700 -0.161 0.000 0.743 231 E HN 0.054 nan 8.360 nan 0.000 0.453 232 S N 0.170 115.778 115.700 -0.154 0.000 2.369 232 S HA -0.320 4.151 4.470 0.001 0.000 0.225 232 S C 2.089 176.683 174.600 -0.009 0.000 1.043 232 S CA 2.246 60.389 58.200 -0.095 0.000 1.074 232 S CB -0.480 62.620 63.200 -0.166 0.000 0.962 232 S HN 0.471 nan 8.310 nan 0.000 0.433 233 R N 0.807 121.306 120.500 -0.003 0.000 2.170 233 R HA -0.157 4.184 4.340 0.001 0.000 0.242 233 R C 2.196 178.636 176.300 0.233 0.000 1.145 233 R CA 2.178 58.357 56.100 0.132 0.000 0.984 233 R CB -0.918 29.467 30.300 0.142 0.000 0.869 233 R HN 0.896 nan 8.270 nan 0.000 0.455 234 H N -2.806 116.383 119.070 0.198 0.000 3.046 234 H HA 0.390 4.947 4.556 0.001 0.000 0.262 234 H C 1.486 176.936 175.328 0.202 0.000 1.044 234 H CA 0.203 56.373 56.048 0.203 0.000 1.209 234 H CB 0.253 30.123 29.762 0.179 0.000 1.507 234 H HN 0.257 nan 8.280 nan 0.000 0.507 235 A N 2.190 125.070 122.820 0.101 0.000 2.066 235 A HA -0.173 4.148 4.320 0.001 0.000 0.218 235 A C 2.490 180.213 177.584 0.232 0.000 1.157 235 A CA 1.105 53.251 52.037 0.181 0.000 0.670 235 A CB -0.424 18.603 19.000 0.044 0.000 0.804 235 A HN 0.713 nan 8.150 nan 0.000 0.453 236 Q N -0.430 119.509 119.800 0.232 0.000 2.050 236 Q HA -0.295 4.046 4.340 0.001 0.000 0.202 236 Q C 1.817 177.950 176.000 0.222 0.000 0.980 236 Q CA 1.621 57.545 55.803 0.202 0.000 0.840 236 Q CB -0.714 28.117 28.738 0.156 0.000 0.898 236 Q HN 0.691 nan 8.270 nan 0.000 0.424 237 Q N 0.706 120.677 119.800 0.285 0.000 2.274 237 Q HA -0.258 4.083 4.340 0.001 0.000 0.217 237 Q C 2.163 178.381 176.000 0.364 0.000 1.008 237 Q CA 1.713 57.739 55.803 0.371 0.000 0.925 237 Q CB -0.618 28.323 28.738 0.340 0.000 0.957 237 Q HN 0.703 nan 8.270 nan 0.000 0.416 238 G N -0.066 108.930 108.800 0.326 0.000 2.402 238 G HA2 -0.179 3.782 3.960 0.001 0.000 0.216 238 G HA3 -0.179 3.782 3.960 0.001 0.000 0.216 238 G C 1.303 176.322 174.900 0.198 0.000 1.162 238 G CA 0.694 45.984 45.100 0.316 0.000 0.777 238 G HN 0.491 nan 8.290 nan 0.000 0.539 239 G N 1.868 110.771 108.800 0.172 0.000 2.553 239 G HA2 -0.196 3.765 3.960 0.001 0.000 0.218 239 G HA3 -0.196 3.765 3.960 0.001 0.000 0.218 239 G C 0.095 174.973 174.900 -0.036 0.000 1.195 239 G CA 1.402 46.515 45.100 0.022 0.000 0.779 239 G HN 0.423 nan 8.290 nan 0.000 0.577 240 P HA -0.015 nan 4.420 nan 0.000 0.219 240 P C 2.170 179.533 177.300 0.104 0.000 1.146 240 P CA 1.528 64.509 63.100 -0.199 0.000 0.808 240 P CB -0.012 31.168 31.700 -0.867 0.000 0.779 241 S N -0.885 114.999 115.700 0.306 0.000 2.371 241 S HA -0.040 4.431 4.470 0.001 0.000 0.224 241 S C 1.784 176.511 174.600 0.211 0.000 1.029 241 S CA 0.921 59.373 58.200 0.419 0.000 0.978 241 S CB -0.995 62.435 63.200 0.385 0.000 0.833 241 S HN 0.122 nan 8.310 nan 0.000 0.466 242 L N 1.091 122.350 121.223 0.061 0.000 2.083 242 L HA -0.135 4.206 4.340 0.001 0.000 0.209 242 L C 2.469 179.309 176.870 -0.051 0.000 1.083 242 L CA 1.188 56.002 54.840 -0.043 0.000 0.752 242 L CB -0.387 41.539 42.059 -0.222 0.000 0.899 242 L HN 0.243 nan 8.230 nan 0.000 0.433 243 K N 0.956 121.325 120.400 -0.052 0.000 2.009 243 K HA -0.173 4.147 4.320 0.001 0.000 0.210 243 K C 1.965 178.516 176.600 -0.081 0.000 1.049 243 K CA 1.561 57.806 56.287 -0.069 0.000 0.929 243 K CB -0.179 32.277 32.500 -0.074 0.000 0.714 243 K HN 0.141 nan 8.250 nan 0.000 0.440 244 I N 0.661 121.185 120.570 -0.076 0.000 2.286 244 I HA -0.284 3.886 4.170 0.001 0.000 0.248 244 I C 2.080 178.043 176.117 -0.256 0.000 1.115 244 I CA 1.041 62.214 61.300 -0.212 0.000 1.392 244 I CB -0.175 37.618 38.000 -0.345 0.000 1.065 244 I HN 0.219 nan 8.210 nan 0.000 0.418 245 L N -0.252 120.887 121.223 -0.140 0.000 2.056 245 L HA -0.171 4.169 4.340 0.001 0.000 0.207 245 L C 2.546 179.368 176.870 -0.080 0.000 1.078 245 L CA 1.030 55.816 54.840 -0.090 0.000 0.749 245 L CB -0.443 41.629 42.059 0.022 0.000 0.901 245 L HN 0.086 nan 8.230 nan 0.000 0.433 246 V N 0.344 120.216 119.914 -0.071 0.000 2.379 246 V HA -0.256 3.865 4.120 0.001 0.000 0.245 246 V C 2.429 178.477 176.094 -0.076 0.000 1.044 246 V CA 1.934 64.195 62.300 -0.064 0.000 1.036 246 V CB -0.584 31.202 31.823 -0.062 0.000 0.664 246 V HN 0.606 nan 8.190 nan 0.000 0.453 247 E N 0.484 120.628 120.200 -0.094 0.000 2.338 247 E HA -0.146 4.205 4.350 0.001 0.000 0.197 247 E C 0.890 177.425 176.600 -0.108 0.000 1.007 247 E CA 0.855 57.198 56.400 -0.096 0.000 0.849 247 E CB 0.018 29.656 29.700 -0.103 0.000 0.774 247 E HN 0.730 nan 8.360 nan 0.000 0.506 248 N N -1.082 117.541 118.700 -0.128 0.000 2.879 248 N HA 0.305 5.046 4.740 0.001 0.000 0.329 248 N C 0.890 176.347 175.510 -0.088 0.000 1.337 248 N CA -0.063 52.910 53.050 -0.128 0.000 0.844 248 N CB 0.423 38.794 38.487 -0.192 0.000 1.236 248 N HN 0.022 nan 8.380 nan 0.000 0.601 249 G N 0.432 109.188 108.800 -0.073 0.000 2.529 249 G HA2 -0.240 3.721 3.960 0.001 0.000 0.219 249 G HA3 -0.240 3.721 3.960 0.001 0.000 0.219 249 G C -0.055 174.826 174.900 -0.032 0.000 1.177 249 G CA 1.049 46.121 45.100 -0.045 0.000 0.773 249 G HN 0.365 nan 8.290 nan 0.000 0.573 250 K N 1.406 121.790 120.400 -0.027 0.000 2.083 250 K HA 0.156 4.477 4.320 0.001 0.000 0.246 250 K C 0.826 177.422 176.600 -0.007 0.000 1.160 250 K CA 0.024 56.309 56.287 -0.004 0.000 1.060 250 K CB 1.288 33.800 32.500 0.019 0.000 1.417 250 K HN 0.468 nan 8.250 nan 0.000 0.329 251 K N 1.705 122.099 120.400 -0.010 0.000 2.186 251 K HA -0.070 4.250 4.320 0.001 0.000 0.202 251 K C 0.755 177.364 176.600 0.015 0.000 1.052 251 K CA 1.090 57.373 56.287 -0.007 0.000 0.965 251 K CB 0.305 32.795 32.500 -0.017 0.000 0.746 251 K HN 0.166 nan 8.250 nan 0.000 0.457 252 D N 0.991 121.405 120.400 0.023 0.000 2.103 252 D HA -0.110 4.531 4.640 0.001 0.000 0.199 252 D C 1.659 177.999 176.300 0.066 0.000 0.978 252 D CA 1.165 55.192 54.000 0.045 0.000 0.829 252 D CB -0.147 40.677 40.800 0.041 0.000 0.981 252 D HN 0.263 nan 8.370 nan 0.000 0.464 253 E N 1.132 121.366 120.200 0.056 0.000 2.070 253 E HA -0.148 4.203 4.350 0.001 0.000 0.197 253 E C 2.004 178.654 176.600 0.083 0.000 1.004 253 E CA 1.362 57.802 56.400 0.066 0.000 0.805 253 E CB -0.385 29.349 29.700 0.056 0.000 0.744 253 E HN 0.244 nan 8.360 nan 0.000 0.451 254 A N 0.651 123.512 122.820 0.069 0.000 1.845 254 A HA -0.315 4.006 4.320 0.001 0.000 0.215 254 A C 2.244 179.881 177.584 0.089 0.000 1.195 254 A CA 1.993 54.071 52.037 0.068 0.000 0.616 254 A CB -0.851 18.166 19.000 0.028 0.000 0.832 254 A HN 0.241 nan 8.150 nan 0.000 0.443 255 Q N -0.323 119.524 119.800 0.079 0.000 2.062 255 Q HA -0.313 4.028 4.340 0.001 0.000 0.209 255 Q C 2.213 178.324 176.000 0.185 0.000 0.996 255 Q CA 2.821 58.686 55.803 0.104 0.000 0.859 255 Q CB -0.509 28.278 28.738 0.082 0.000 0.920 255 Q HN 0.760 nan 8.270 nan 0.000 0.415 256 Q N -0.918 119.004 119.800 0.204 0.000 2.112 256 Q HA -0.221 4.120 4.340 0.001 0.000 0.206 256 Q C 1.972 178.139 176.000 0.279 0.000 0.987 256 Q CA 2.289 58.265 55.803 0.289 0.000 0.858 256 Q CB -0.147 28.717 28.738 0.211 0.000 0.905 256 Q HN 0.551 nan 8.270 nan 0.000 0.420 257 M N -0.931 118.791 119.600 0.204 0.000 2.099 257 M HA -0.154 4.327 4.480 0.001 0.000 0.262 257 M C 2.152 178.615 176.300 0.271 0.000 1.067 257 M CA 1.147 56.568 55.300 0.203 0.000 1.124 257 M CB -0.168 32.529 32.600 0.162 0.000 1.353 257 M HN 0.108 nan 8.290 nan 0.000 0.410 258 V N 0.824 120.903 119.914 0.276 0.000 2.287 258 V HA -0.305 3.816 4.120 0.001 0.000 0.248 258 V C 1.860 178.169 176.094 0.357 0.000 1.053 258 V CA 2.014 64.519 62.300 0.342 0.000 1.027 258 V CB -0.811 31.194 31.823 0.303 0.000 0.646 258 V HN 0.411 nan 8.190 nan 0.000 0.447 259 D N -0.022 120.600 120.400 0.369 0.000 2.106 259 D HA -0.151 4.490 4.640 0.001 0.000 0.191 259 D C 2.173 178.867 176.300 0.656 0.000 0.997 259 D CA 1.577 55.881 54.000 0.507 0.000 0.834 259 D CB -0.468 40.700 40.800 0.615 0.000 0.956 259 D HN 0.325 nan 8.370 nan 0.000 0.448 260 V N 1.421 121.664 119.914 0.549 0.000 2.261 260 V HA -0.234 3.887 4.120 0.001 0.000 0.246 260 V C 2.557 178.881 176.094 0.383 0.000 1.047 260 V CA 1.887 64.448 62.300 0.435 0.000 1.015 260 V CB -0.925 31.042 31.823 0.239 0.000 0.642 260 V HN 0.200 nan 8.190 nan 0.000 0.446 261 A N -0.263 122.761 122.820 0.341 0.000 1.948 261 A HA -0.216 4.104 4.320 0.001 0.000 0.220 261 A C 2.173 179.983 177.584 0.378 0.000 1.177 261 A CA 2.163 54.402 52.037 0.337 0.000 0.636 261 A CB -0.586 18.618 19.000 0.340 0.000 0.815 261 A HN 0.550 nan 8.150 nan 0.000 0.449 262 I N -2.299 118.497 120.570 0.377 0.000 2.333 262 I HA -0.204 3.966 4.170 0.001 0.000 0.246 262 I C 2.532 178.759 176.117 0.183 0.000 1.106 262 I CA 0.969 62.461 61.300 0.320 0.000 1.411 262 I CB -0.392 37.724 38.000 0.195 0.000 1.082 262 I HN 0.699 nan 8.210 nan 0.000 0.420 263 W N 2.787 124.103 121.300 0.027 0.000 2.354 263 W HA -0.195 4.466 4.660 0.001 0.000 0.315 263 W C 2.602 179.114 176.519 -0.012 0.000 1.206 263 W CA 1.475 58.704 57.345 -0.193 0.000 1.290 263 W CB -0.288 28.919 29.460 -0.422 0.000 1.152 263 W HN 0.064 nan 8.180 nan 0.000 0.489 264 R N 0.243 120.862 120.500 0.199 0.000 2.127 264 R HA -0.141 4.200 4.340 0.001 0.000 0.238 264 R C 2.335 178.572 176.300 -0.105 0.000 1.134 264 R CA 1.789 57.980 56.100 0.151 0.000 0.975 264 R CB -0.714 29.800 30.300 0.357 0.000 0.865 264 R HN 0.122 nan 8.270 nan 0.000 0.447 265 S N 0.441 116.088 115.700 -0.089 0.000 2.345 265 S HA -0.149 4.322 4.470 0.001 0.000 0.220 265 S C 1.411 175.587 174.600 -0.705 0.000 1.031 265 S CA 0.958 58.856 58.200 -0.503 0.000 0.996 265 S CB -0.369 62.591 63.200 -0.401 0.000 0.882 265 S HN 0.569 nan 8.310 nan 0.000 0.445 266 W N 2.883 123.730 121.300 -0.755 0.000 2.318 266 W HA -0.213 4.447 4.660 0.001 0.000 0.313 266 W C 1.410 177.724 176.519 -0.343 0.000 1.221 266 W CA 1.364 58.418 57.345 -0.485 0.000 1.266 266 W CB -0.259 28.799 29.460 -0.670 0.000 1.150 266 W HN 0.163 nan 8.180 nan 0.000 0.496 267 K N 0.914 120.794 120.400 -0.866 0.000 2.032 267 K HA -0.222 4.098 4.320 0.001 0.000 0.209 267 K C 2.076 178.359 176.600 -0.529 0.000 1.048 267 K CA 1.627 57.439 56.287 -0.792 0.000 0.927 267 K CB -1.384 30.852 32.500 -0.441 0.000 0.712 267 K HN 0.316 nan 8.250 nan 0.000 0.441 268 L N 0.136 121.073 121.223 -0.477 0.000 2.083 268 L HA -0.095 4.246 4.340 0.001 0.000 0.209 268 L C 2.171 178.882 176.870 -0.264 0.000 1.083 268 L CA 1.347 55.947 54.840 -0.400 0.000 0.752 268 L CB -0.434 41.209 42.059 -0.692 0.000 0.899 268 L HN -0.002 nan 8.230 nan 0.000 0.433 269 F N -0.245 119.449 119.950 -0.428 0.000 2.293 269 F HA -0.144 4.383 4.527 0.001 0.000 0.300 269 F C 2.630 178.267 175.800 -0.272 0.000 1.086 269 F CA 1.265 59.144 58.000 -0.203 0.000 1.375 269 F CB -0.362 38.652 39.000 0.024 0.000 1.045 269 F HN 0.306 nan 8.300 nan 0.000 0.516 270 S N -1.694 113.755 115.700 -0.419 0.000 2.607 270 S HA 0.016 4.487 4.470 0.001 0.000 0.224 270 S C 1.401 175.774 174.600 -0.378 0.000 0.969 270 S CA 0.728 58.596 58.200 -0.553 0.000 0.927 270 S CB 0.022 62.684 63.200 -0.898 0.000 0.772 270 S HN 0.217 nan 8.310 nan 0.000 0.533 271 V N -0.379 119.355 119.914 -0.299 0.000 3.480 271 V HA 0.423 4.544 4.120 0.001 0.000 0.263 271 V C 1.197 177.164 176.094 -0.212 0.000 1.442 271 V CA 0.103 62.311 62.300 -0.154 0.000 1.053 271 V CB 0.200 32.020 31.823 -0.005 0.000 0.846 271 V HN 0.518 nan 8.190 nan 0.000 0.440 272 L N -0.203 120.832 121.223 -0.314 0.000 2.408 272 L HA 0.148 4.489 4.340 0.001 0.000 0.215 272 L C 2.058 178.627 176.870 -0.503 0.000 1.081 272 L CA 1.473 56.086 54.840 -0.378 0.000 0.840 272 L CB 0.011 41.899 42.059 -0.285 0.000 1.002 272 L HN 0.332 nan 8.230 nan 0.000 0.468 273 T N -1.308 112.871 114.554 -0.625 0.000 3.085 273 T HA 0.114 4.464 4.350 0.001 0.000 0.241 273 T C 1.755 176.014 174.700 -0.736 0.000 0.988 273 T CA 0.577 62.267 62.100 -0.684 0.000 1.117 273 T CB -0.041 68.239 68.868 -0.981 0.000 0.978 273 T HN 0.308 nan 8.240 nan 0.000 0.454 274 G N 3.118 111.229 108.800 -1.148 0.000 2.628 274 G HA2 -0.206 3.755 3.960 0.001 0.000 0.217 274 G HA3 -0.206 3.755 3.960 0.001 0.000 0.217 274 G C -0.791 173.699 174.900 -0.684 0.000 1.240 274 G CA 1.143 45.184 45.100 -1.765 0.000 0.792 274 G HN 0.371 nan 8.290 nan 0.000 0.593 275 P HA -0.092 nan 4.420 nan 0.000 0.217 275 P C 1.746 178.918 177.300 -0.214 0.000 1.148 275 P CA 0.849 63.903 63.100 -0.078 0.000 0.834 275 P CB -0.048 31.667 31.700 0.026 0.000 0.783 276 I N -2.097 118.178 120.570 -0.492 0.000 2.202 276 I HA -0.206 3.964 4.170 0.001 0.000 0.242 276 I C 2.456 178.452 176.117 -0.203 0.000 1.091 276 I CA 1.735 62.726 61.300 -0.515 0.000 1.368 276 I CB -0.801 36.872 38.000 -0.545 0.000 1.058 276 I HN -0.109 nan 8.210 nan 0.000 0.410 277 M N -0.267 119.213 119.600 -0.200 0.000 2.067 277 M HA -0.223 4.258 4.480 0.001 0.000 0.260 277 M C 1.487 177.726 176.300 -0.102 0.000 1.069 277 M CA 1.780 57.018 55.300 -0.104 0.000 1.117 277 M CB -0.533 32.053 32.600 -0.024 0.000 1.334 277 M HN 0.112 nan 8.290 nan 0.000 0.407 278 D N -1.439 118.915 120.400 -0.077 0.000 2.363 278 D HA -0.047 4.593 4.640 0.001 0.000 0.220 278 D C 0.768 176.681 176.300 -0.645 0.000 0.994 278 D CA 1.102 54.969 54.000 -0.222 0.000 0.890 278 D CB 0.161 40.932 40.800 -0.048 0.000 0.906 278 D HN 0.442 nan 8.370 nan 0.000 0.530 279 Y N -2.849 117.360 120.300 -0.151 0.000 2.524 279 Y HA 0.186 4.737 4.550 0.001 0.000 0.276 279 Y C 1.260 177.167 175.900 0.011 0.000 1.155 279 Y CA -0.320 57.670 58.100 -0.182 0.000 1.165 279 Y CB 0.154 38.313 38.460 -0.501 0.000 1.306 279 Y HN -0.039 nan 8.280 nan 0.000 0.522 280 Y N 0.059 120.343 120.300 -0.026 0.000 2.397 280 Y HA 0.081 4.632 4.550 0.001 0.000 0.292 280 Y C 0.884 176.787 175.900 0.004 0.000 1.115 280 Y CA 0.327 58.439 58.100 0.019 0.000 1.208 280 Y CB 0.224 38.691 38.460 0.012 0.000 1.046 280 Y HN -0.228 nan 8.280 nan 0.000 0.552 281 T N 3.675 118.290 114.554 0.102 0.000 2.870 281 T HA 0.102 4.452 4.350 0.001 0.000 0.300 281 T C -2.419 172.222 174.700 -0.098 0.000 0.989 281 T CA -1.140 60.962 62.100 0.003 0.000 1.139 281 T CB 0.763 69.586 68.868 -0.076 0.000 0.920 281 T HN -0.125 nan 8.240 nan 0.000 0.537 282 P HA 0.024 nan 4.420 nan 0.000 0.265 282 P C 1.287 178.442 177.300 -0.241 0.000 1.193 282 P CA -0.323 62.696 63.100 -0.135 0.000 0.765 282 P CB 0.431 32.081 31.700 -0.083 0.000 0.823 283 L N 4.719 125.756 121.223 -0.309 0.000 2.051 283 L HA -0.239 4.101 4.340 0.001 0.000 0.214 283 L C 1.441 178.123 176.870 -0.313 0.000 1.076 283 L CA 2.420 56.998 54.840 -0.437 0.000 0.758 283 L CB -0.680 41.169 42.059 -0.350 0.000 0.890 283 L HN 0.482 nan 8.230 nan 0.000 0.433 284 E N -1.225 118.861 120.200 -0.190 0.000 2.472 284 E HA -0.083 4.268 4.350 0.001 0.000 0.200 284 E C 1.121 177.656 176.600 -0.109 0.000 1.046 284 E CA 0.799 57.127 56.400 -0.119 0.000 0.871 284 E CB -0.101 29.547 29.700 -0.086 0.000 0.806 284 E HN 0.301 nan 8.360 nan 0.000 0.533 285 S N 0.259 115.874 115.700 -0.143 0.000 2.741 285 S HA 0.228 4.698 4.470 0.001 0.000 0.247 285 S C -0.399 174.130 174.600 -0.118 0.000 1.050 285 S CA -0.623 57.507 58.200 -0.117 0.000 1.025 285 S CB 0.258 63.385 63.200 -0.122 0.000 0.897 285 S HN 0.146 nan 8.310 nan 0.000 0.508 286 R N 2.077 122.494 120.500 -0.139 0.000 2.337 286 R HA 0.301 4.642 4.340 0.001 0.000 0.319 286 R C -0.001 176.334 176.300 0.057 0.000 0.954 286 R CA -0.429 55.616 56.100 -0.092 0.000 0.840 286 R CB 0.375 30.496 30.300 -0.299 0.000 1.164 286 R HN 0.211 nan 8.270 nan 0.000 0.472 287 N N 1.730 120.486 118.700 0.093 0.000 2.336 287 N HA -0.097 4.644 4.740 0.001 0.000 0.189 287 N C -0.438 175.184 175.510 0.187 0.000 1.113 287 N CA -0.228 52.900 53.050 0.130 0.000 0.858 287 N CB 0.390 38.937 38.487 0.101 0.000 0.970 287 N HN 0.686 nan 8.380 nan 0.000 0.471 288 Q N -2.110 117.842 119.800 0.254 0.000 2.736 288 Q HA 0.253 4.594 4.340 0.001 0.000 0.273 288 Q C -1.575 174.651 176.000 0.376 0.000 0.948 288 Q CA -1.079 54.887 55.803 0.272 0.000 0.854 288 Q CB 0.384 29.256 28.738 0.225 0.000 1.569 288 Q HN 0.089 nan 8.270 nan 0.000 0.405 289 S N 0.486 116.360 115.700 0.290 0.000 2.603 289 S HA 0.268 4.739 4.470 0.001 0.000 0.268 289 S C 0.497 175.318 174.600 0.368 0.000 1.317 289 S CA -0.464 57.953 58.200 0.361 0.000 1.012 289 S CB 0.424 63.589 63.200 -0.058 0.000 0.926 289 S HN 0.662 nan 8.310 nan 0.000 0.539 290 F N 1.853 121.965 119.950 0.269 0.000 2.192 290 F HA -0.108 4.420 4.527 0.001 0.000 0.301 290 F C 2.228 178.183 175.800 0.259 0.000 1.079 290 F CA 2.045 60.126 58.000 0.134 0.000 1.303 290 F CB -0.320 38.517 39.000 -0.271 0.000 1.024 290 F HN 0.814 nan 8.300 nan 0.000 0.494 291 K N 0.332 120.842 120.400 0.183 0.000 2.025 291 K HA -0.182 4.138 4.320 0.001 0.000 0.207 291 K C 2.015 178.589 176.600 -0.043 0.000 1.049 291 K CA 1.791 58.111 56.287 0.054 0.000 0.933 291 K CB -0.280 32.364 32.500 0.240 0.000 0.714 291 K HN 0.372 nan 8.250 nan 0.000 0.438 292 E N -0.102 120.100 120.200 0.002 0.000 2.051 292 E HA -0.204 4.146 4.350 0.001 0.000 0.192 292 E C 1.811 178.425 176.600 0.024 0.000 0.991 292 E CA 1.452 57.840 56.400 -0.021 0.000 0.799 292 E CB -0.241 29.460 29.700 0.001 0.000 0.748 292 E HN 0.324 nan 8.360 nan 0.000 0.449 293 F N 1.260 121.216 119.950 0.010 0.000 2.069 293 F HA -0.288 4.240 4.527 0.001 0.000 0.298 293 F C 2.180 177.992 175.800 0.020 0.000 1.113 293 F CA 1.482 59.554 58.000 0.120 0.000 1.214 293 F CB -0.080 39.016 39.000 0.161 0.000 0.978 293 F HN -0.039 nan 8.300 nan 0.000 0.474 294 M N 0.154 119.729 119.600 -0.042 0.000 2.108 294 M HA -0.221 4.260 4.480 0.001 0.000 0.261 294 M C 2.398 178.519 176.300 -0.299 0.000 1.066 294 M CA 1.625 56.799 55.300 -0.210 0.000 1.107 294 M CB -1.434 30.984 32.600 -0.302 0.000 1.356 294 M HN 0.317 nan 8.290 nan 0.000 0.406 295 L N -0.830 120.229 121.223 -0.274 0.000 2.027 295 L HA -0.209 4.132 4.340 0.001 0.000 0.206 295 L C 2.560 179.244 176.870 -0.310 0.000 1.074 295 L CA 1.320 55.996 54.840 -0.274 0.000 0.745 295 L CB -0.538 41.386 42.059 -0.223 0.000 0.898 295 L HN 0.383 nan 8.230 nan 0.000 0.433 296 E N -0.550 119.413 120.200 -0.394 0.000 2.016 296 E HA -0.197 4.154 4.350 0.001 0.000 0.190 296 E C 2.065 178.203 176.600 -0.770 0.000 0.985 296 E CA 1.393 57.419 56.400 -0.623 0.000 0.802 296 E CB -0.092 29.124 29.700 -0.807 0.000 0.762 296 E HN 0.462 nan 8.360 nan 0.000 0.448 297 W N -0.091 120.947 121.300 -0.437 0.000 2.863 297 W HA 0.070 4.731 4.660 0.001 0.000 0.258 297 W C 1.771 177.975 176.519 -0.525 0.000 1.298 297 W CA -0.445 56.590 57.345 -0.517 0.000 1.451 297 W CB 0.384 29.382 29.460 -0.771 0.000 1.107 297 W HN 0.141 nan 8.180 nan 0.000 0.641 298 I N -1.529 118.836 120.570 -0.342 0.000 3.366 298 I HA -0.043 4.128 4.170 0.001 0.000 0.267 298 I C 1.996 177.989 176.117 -0.207 0.000 1.149 298 I CA 0.578 61.654 61.300 -0.373 0.000 1.436 298 I CB -1.215 36.545 38.000 -0.401 0.000 1.379 298 I HN -0.246 nan 8.210 nan 0.000 0.460 299 V N 2.012 121.870 119.914 -0.093 0.000 2.307 299 V HA -0.186 3.934 4.120 0.001 0.000 0.245 299 V C 2.924 179.128 176.094 0.184 0.000 1.045 299 V CA 1.902 64.287 62.300 0.141 0.000 1.024 299 V CB -1.310 30.461 31.823 -0.087 0.000 0.651 299 V HN 0.401 nan 8.190 nan 0.000 0.449 300 A N -0.177 122.635 122.820 -0.012 0.000 1.873 300 A HA -0.345 3.976 4.320 0.001 0.000 0.218 300 A C 2.156 179.733 177.584 -0.012 0.000 1.193 300 A CA 2.411 54.429 52.037 -0.031 0.000 0.629 300 A CB -0.665 18.251 19.000 -0.140 0.000 0.826 300 A HN 0.567 nan 8.150 nan 0.000 0.447 301 Q N -1.329 118.426 119.800 -0.075 0.000 2.124 301 Q HA -0.093 4.247 4.340 0.001 0.000 0.202 301 Q C 1.714 177.685 176.000 -0.049 0.000 0.977 301 Q CA 1.513 57.255 55.803 -0.102 0.000 0.850 301 Q CB -0.501 28.115 28.738 -0.204 0.000 0.901 301 Q HN 0.673 nan 8.270 nan 0.000 0.429 302 F N 1.158 121.110 119.950 0.003 0.000 2.171 302 F HA -0.150 4.378 4.527 0.001 0.000 0.300 302 F C 1.929 177.715 175.800 -0.023 0.000 1.090 302 F CA 1.316 59.336 58.000 0.033 0.000 1.293 302 F CB -0.261 38.862 39.000 0.206 0.000 1.013 302 F HN 0.181 nan 8.300 nan 0.000 0.486 303 E N -0.536 119.753 120.200 0.150 0.000 2.072 303 E HA -0.216 4.135 4.350 0.001 0.000 0.191 303 E C 2.257 178.857 176.600 -0.001 0.000 0.985 303 E CA 1.000 57.386 56.400 -0.024 0.000 0.801 303 E CB -0.294 29.390 29.700 -0.028 0.000 0.750 303 E HN 0.303 nan 8.360 nan 0.000 0.452 304 R N 0.975 121.489 120.500 0.023 0.000 2.066 304 R HA -0.146 4.195 4.340 0.001 0.000 0.232 304 R C 2.496 178.825 176.300 0.047 0.000 1.131 304 R CA 1.327 57.436 56.100 0.014 0.000 0.955 304 R CB 0.073 30.374 30.300 0.003 0.000 0.851 304 R HN 0.067 nan 8.270 nan 0.000 0.432 305 Q N 0.506 120.366 119.800 0.100 0.000 2.014 305 Q HA -0.218 4.122 4.340 0.001 0.000 0.207 305 Q C 2.288 178.400 176.000 0.186 0.000 0.993 305 Q CA 1.881 57.801 55.803 0.195 0.000 0.850 305 Q CB -0.425 28.513 28.738 0.333 0.000 0.916 305 Q HN 0.417 nan 8.270 nan 0.000 0.417 306 L N 0.183 121.515 121.223 0.183 0.000 2.083 306 L HA -0.206 4.135 4.340 0.001 0.000 0.209 306 L C 2.432 179.301 176.870 -0.003 0.000 1.083 306 L CA 0.513 55.401 54.840 0.081 0.000 0.752 306 L CB -0.542 41.520 42.059 0.006 0.000 0.899 306 L HN 0.194 nan 8.230 nan 0.000 0.433 307 L N -0.040 121.174 121.223 -0.014 0.000 2.046 307 L HA -0.208 4.132 4.340 0.001 0.000 0.208 307 L C 1.953 178.809 176.870 -0.023 0.000 1.077 307 L CA 1.914 56.734 54.840 -0.033 0.000 0.747 307 L CB -0.731 41.307 42.059 -0.036 0.000 0.896 307 L HN 0.189 nan 8.230 nan 0.000 0.432 308 D N -0.824 119.572 120.400 -0.006 0.000 2.183 308 D HA -0.097 4.544 4.640 0.001 0.000 0.203 308 D C 2.086 178.370 176.300 -0.025 0.000 0.969 308 D CA 0.697 54.690 54.000 -0.011 0.000 0.842 308 D CB 0.009 40.811 40.800 0.003 0.000 0.957 308 D HN 0.206 nan 8.370 nan 0.000 0.484 309 L N -0.356 120.850 121.223 -0.029 0.000 2.478 309 L HA 0.155 4.495 4.340 0.001 0.000 0.223 309 L C 1.607 178.439 176.870 -0.062 0.000 1.140 309 L CA 1.050 55.851 54.840 -0.064 0.000 0.842 309 L CB -0.941 41.049 42.059 -0.115 0.000 0.953 309 L HN 0.219 nan 8.230 nan 0.000 0.452 310 G N -0.744 108.026 108.800 -0.050 0.000 2.132 310 G HA2 -0.240 3.721 3.960 0.001 0.000 0.234 310 G HA3 -0.240 3.721 3.960 0.001 0.000 0.234 310 G C 0.397 175.267 174.900 -0.051 0.000 0.989 310 G CA 0.359 45.429 45.100 -0.049 0.000 0.676 310 G HN 0.304 nan 8.290 nan 0.000 0.522 311 L N -0.329 120.861 121.223 -0.054 0.000 2.544 311 L HA 0.670 5.011 4.340 0.001 0.000 0.256 311 L C 0.178 177.005 176.870 -0.071 0.000 1.097 311 L CA -1.108 53.700 54.840 -0.054 0.000 0.812 311 L CB 0.564 42.594 42.059 -0.049 0.000 1.440 311 L HN -0.004 nan 8.230 nan 0.000 0.496 312 D N -0.630 119.721 120.400 -0.083 0.000 2.392 312 D HA 0.336 4.977 4.640 0.001 0.000 0.246 312 D C -0.714 175.457 176.300 -0.215 0.000 1.013 312 D CA -0.622 53.302 54.000 -0.127 0.000 0.993 312 D CB 1.360 42.103 40.800 -0.095 0.000 1.219 312 D HN 0.252 nan 8.370 nan 0.000 0.538 313 K N 0.756 120.959 120.400 -0.328 0.000 2.295 313 K HA 0.307 4.627 4.320 0.001 0.000 0.270 313 K C -2.275 174.079 176.600 -0.409 0.000 1.011 313 K CA -1.097 54.835 56.287 -0.591 0.000 0.953 313 K CB 0.098 32.100 32.500 -0.831 0.000 0.956 313 K HN 0.066 nan 8.250 nan 0.000 0.477 314 P HA -0.119 nan 4.420 nan 0.000 0.268 314 P C 0.564 177.523 177.300 -0.569 0.000 1.208 314 P CA -0.202 62.539 63.100 -0.598 0.000 0.777 314 P CB 0.257 31.259 31.700 -1.163 0.000 0.875 315 W N 2.406 123.420 121.300 -0.476 0.000 2.387 315 W HA -0.189 4.472 4.660 0.001 0.000 0.272 315 W C 0.637 177.025 176.519 -0.219 0.000 1.224 315 W CA 0.913 58.066 57.345 -0.319 0.000 1.210 315 W CB -1.608 27.634 29.460 -0.363 0.000 1.125 315 W HN 0.441 nan 8.180 nan 0.000 0.572 316 Y N -3.647 116.142 120.300 -0.851 0.000 2.457 316 Y HA 0.240 4.791 4.550 0.001 0.000 0.263 316 Y C 2.237 178.048 175.900 -0.148 0.000 1.164 316 Y CA -1.688 55.950 58.100 -0.770 0.000 1.274 316 Y CB -1.538 35.993 38.460 -1.548 0.000 1.097 316 Y HN -0.019 nan 8.280 nan 0.000 0.523 317 W N 2.617 123.753 121.300 -0.274 0.000 2.290 317 W HA -0.289 4.371 4.660 0.001 0.000 0.318 317 W C 0.758 177.335 176.519 0.097 0.000 1.248 317 W CA 2.417 59.765 57.345 0.005 0.000 1.263 317 W CB -0.092 29.309 29.460 -0.099 0.000 1.147 317 W HN 0.266 nan 8.180 nan 0.000 0.494 318 D N -0.565 119.936 120.400 0.169 0.000 2.178 318 D HA -0.193 4.448 4.640 0.001 0.000 0.202 318 D C 1.891 178.227 176.300 0.059 0.000 0.974 318 D CA 1.430 55.476 54.000 0.076 0.000 0.841 318 D CB -0.510 40.349 40.800 0.099 0.000 0.953 318 D HN 0.233 nan 8.370 nan 0.000 0.478 319 Q N -0.022 119.849 119.800 0.117 0.000 2.079 319 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 319 Q C 1.885 178.007 176.000 0.204 0.000 0.974 319 Q CA 0.857 56.753 55.803 0.156 0.000 0.840 319 Q CB -0.542 28.279 28.738 0.137 0.000 0.898 319 Q HN 0.184 nan 8.270 nan 0.000 0.430 320 F N 0.318 120.252 119.950 -0.027 0.000 2.065 320 F HA -0.211 4.317 4.527 0.001 0.000 0.298 320 F C 1.842 177.395 175.800 -0.412 0.000 1.112 320 F CA 1.900 59.740 58.000 -0.268 0.000 1.212 320 F CB -0.788 37.956 39.000 -0.426 0.000 0.975 320 F HN 0.197 nan 8.300 nan 0.000 0.476 321 M N 0.323 119.593 119.600 -0.549 0.000 2.159 321 M HA -0.220 4.261 4.480 0.001 0.000 0.263 321 M C 2.362 178.536 176.300 -0.211 0.000 1.063 321 M CA 1.636 56.600 55.300 -0.561 0.000 1.110 321 M CB -0.698 31.654 32.600 -0.414 0.000 1.374 321 M HN 0.285 nan 8.290 nan 0.000 0.411 322 Q N 0.019 119.790 119.800 -0.048 0.000 2.030 322 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 322 Q C 1.238 177.351 176.000 0.189 0.000 0.986 322 Q CA 1.690 57.546 55.803 0.089 0.000 0.843 322 Q CB -0.114 28.707 28.738 0.138 0.000 0.904 322 Q HN 0.430 nan 8.270 nan 0.000 0.420 323 D N 0.330 120.883 120.400 0.254 0.000 2.389 323 D HA -0.131 4.509 4.640 0.001 0.000 0.221 323 D C 1.553 178.148 176.300 0.493 0.000 0.974 323 D CA 0.656 54.930 54.000 0.456 0.000 0.923 323 D CB -0.072 41.086 40.800 0.597 0.000 0.892 323 D HN 0.322 nan 8.370 nan 0.000 0.518 324 L N 0.335 121.710 121.223 0.253 0.000 2.362 324 L HA -0.090 4.251 4.340 0.001 0.000 0.219 324 L C 1.615 178.808 176.870 0.539 0.000 1.134 324 L CA 0.758 55.804 54.840 0.343 0.000 0.807 324 L CB -0.027 42.031 42.059 -0.002 0.000 0.927 324 L HN -0.118 nan 8.230 nan 0.000 0.447 325 D N -0.680 119.995 120.400 0.458 0.000 2.333 325 D HA -0.051 4.589 4.640 0.001 0.000 0.208 325 D C 1.726 178.320 176.300 0.490 0.000 0.984 325 D CA 0.676 54.995 54.000 0.531 0.000 0.873 325 D CB 0.546 41.601 40.800 0.425 0.000 0.935 325 D HN 0.367 nan 8.370 nan 0.000 0.521 326 E N -0.125 120.341 120.200 0.443 0.000 2.476 326 E HA 0.041 4.391 4.350 0.001 0.000 0.193 326 E C 2.062 178.808 176.600 0.243 0.000 0.966 326 E CA 0.417 57.059 56.400 0.403 0.000 1.114 326 E CB -0.771 28.998 29.700 0.115 0.000 1.151 326 E HN -0.051 nan 8.360 nan 0.000 0.487 327 T N 3.054 117.860 114.554 0.419 0.000 2.616 327 T HA -0.261 4.090 4.350 0.001 0.000 0.261 327 T C 1.693 176.447 174.700 0.090 0.000 1.105 327 T CA 2.368 64.686 62.100 0.364 0.000 1.159 327 T CB -0.881 68.290 68.868 0.507 0.000 0.856 327 T HN 0.394 nan 8.240 nan 0.000 0.449 328 H N 0.564 119.611 119.070 -0.038 0.000 2.491 328 H HA -0.036 4.521 4.556 0.001 0.000 0.290 328 H C 2.002 177.187 175.328 -0.238 0.000 1.050 328 H CA 1.412 57.322 56.048 -0.231 0.000 1.309 328 H CB -0.705 28.794 29.762 -0.438 0.000 1.392 328 H HN 0.513 nan 8.280 nan 0.000 0.554 329 H N 1.015 119.627 119.070 -0.764 0.000 2.357 329 H HA -0.028 4.529 4.556 0.001 0.000 0.301 329 H C 2.593 177.438 175.328 -0.805 0.000 1.082 329 H CA 1.327 56.861 56.048 -0.857 0.000 1.342 329 H CB -0.600 28.124 29.762 -1.730 0.000 1.389 329 H HN 0.572 nan 8.280 nan 0.000 0.511 330 G N 1.060 109.417 108.800 -0.738 0.000 2.421 330 G HA2 -0.208 3.752 3.960 0.001 0.000 0.216 330 G HA3 -0.208 3.752 3.960 0.001 0.000 0.216 330 G C 1.734 176.665 174.900 0.052 0.000 1.171 330 G CA 0.659 45.703 45.100 -0.093 0.000 0.775 330 G HN 0.162 nan 8.290 nan 0.000 0.543 331 M N 0.310 119.932 119.600 0.037 0.000 2.202 331 M HA -0.060 4.421 4.480 0.001 0.000 0.262 331 M C 2.153 178.548 176.300 0.159 0.000 1.063 331 M CA 1.394 56.746 55.300 0.087 0.000 1.097 331 M CB -1.165 31.463 32.600 0.046 0.000 1.382 331 M HN 0.471 nan 8.290 nan 0.000 0.413 332 H N 0.340 119.431 119.070 0.036 0.000 2.333 332 H HA -0.068 4.488 4.556 0.001 0.000 0.302 332 H C 1.774 177.226 175.328 0.207 0.000 1.075 332 H CA 1.469 57.571 56.048 0.090 0.000 1.348 332 H CB -0.236 29.444 29.762 -0.137 0.000 1.393 332 H HN 0.176 nan 8.280 nan 0.000 0.509 333 L N 0.376 121.613 121.223 0.024 0.000 2.046 333 L HA 0.040 4.381 4.340 0.001 0.000 0.208 333 L C 2.472 179.429 176.870 0.144 0.000 1.077 333 L CA 2.058 56.905 54.840 0.011 0.000 0.747 333 L CB -1.259 40.807 42.059 0.012 0.000 0.896 333 L HN 0.454 nan 8.230 nan 0.000 0.432 334 G N -0.956 107.950 108.800 0.178 0.000 2.480 334 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 334 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 334 G C 1.577 176.670 174.900 0.323 0.000 1.200 334 G CA 1.201 46.454 45.100 0.255 0.000 0.782 334 G HN 0.314 nan 8.290 nan 0.000 0.554 335 V N -0.457 119.605 119.914 0.248 0.000 2.332 335 V HA -0.174 3.947 4.120 0.001 0.000 0.248 335 V C 2.254 178.470 176.094 0.203 0.000 1.055 335 V CA 2.025 64.507 62.300 0.303 0.000 1.038 335 V CB -0.520 31.561 31.823 0.431 0.000 0.651 335 V HN 0.625 nan 8.190 nan 0.000 0.450 336 W N -0.388 120.930 121.300 0.029 0.000 2.379 336 W HA -0.229 4.432 4.660 0.001 0.000 0.307 336 W C 2.507 179.014 176.519 -0.020 0.000 1.200 336 W CA 1.760 59.091 57.345 -0.023 0.000 1.297 336 W CB -0.583 28.845 29.460 -0.053 0.000 1.140 336 W HN 0.342 nan 8.180 nan 0.000 0.507 337 Y N -0.824 119.465 120.300 -0.017 0.000 2.165 337 Y HA -0.243 4.308 4.550 0.001 0.000 0.286 337 Y C 1.782 177.365 175.900 -0.529 0.000 1.155 337 Y CA 2.169 60.072 58.100 -0.328 0.000 1.164 337 Y CB -0.624 37.692 38.460 -0.240 0.000 0.978 337 Y HN -0.063 nan 8.280 nan 0.000 0.513 338 W N 1.591 122.798 121.300 -0.155 0.000 3.364 338 W HA 0.125 4.785 4.660 0.001 0.000 0.397 338 W C 1.797 178.159 176.519 -0.262 0.000 1.107 338 W CA -0.162 57.063 57.345 -0.198 0.000 1.892 338 W CB -0.437 28.919 29.460 -0.174 0.000 1.027 338 W HN 0.217 nan 8.180 nan 0.000 0.761 339 R N 2.179 122.486 120.500 -0.321 0.000 2.227 339 R HA -0.249 4.091 4.340 0.001 0.000 0.246 339 R C -0.544 175.559 176.300 -0.327 0.000 1.119 339 R CA 2.800 58.642 56.100 -0.429 0.000 0.930 339 R CB -1.400 28.491 30.300 -0.681 0.000 0.912 339 R HN -0.025 nan 8.270 nan 0.000 0.435 340 P HA -0.086 nan 4.420 nan 0.000 0.236 340 P C 0.522 177.763 177.300 -0.099 0.000 1.172 340 P CA 1.654 64.642 63.100 -0.187 0.000 0.759 340 P CB -0.070 31.536 31.700 -0.157 0.000 0.843 341 T N -3.355 111.189 114.554 -0.016 0.000 3.081 341 T HA 0.175 4.525 4.350 0.001 0.000 0.250 341 T C 0.893 175.631 174.700 0.064 0.000 1.100 341 T CA -0.113 62.073 62.100 0.142 0.000 1.038 341 T CB -0.749 68.325 68.868 0.343 0.000 0.962 341 T HN -0.004 nan 8.240 nan 0.000 0.516 342 V N -1.489 118.262 119.914 -0.272 0.000 3.093 342 V HA 0.718 4.838 4.120 0.001 0.000 0.320 342 V C 0.703 176.364 176.094 -0.721 0.000 1.093 342 V CA -1.604 60.255 62.300 -0.735 0.000 1.016 342 V CB 1.185 32.006 31.823 -1.670 0.000 1.096 342 V HN 0.558 nan 8.190 nan 0.000 0.452 343 W N 0.503 121.387 121.300 -0.693 0.000 3.316 343 W HA 0.582 5.243 4.660 0.001 0.000 0.327 343 W C -0.061 176.264 176.519 -0.323 0.000 1.232 343 W CA -0.916 56.027 57.345 -0.670 0.000 1.805 343 W CB -0.549 28.265 29.460 -1.076 0.000 1.090 343 W HN 0.781 nan 8.180 nan 0.000 0.654 344 W N 0.532 121.503 121.300 -0.547 0.000 2.967 344 W HA 0.635 5.296 4.660 0.001 0.000 0.342 344 W C -0.910 175.453 176.519 -0.259 0.000 1.162 344 W CA -1.538 55.576 57.345 -0.385 0.000 1.085 344 W CB 0.446 29.630 29.460 -0.460 0.000 1.460 344 W HN -0.399 nan 8.180 nan 0.000 0.584 345 D N 2.400 122.802 120.400 0.004 0.000 2.428 345 D HA 0.286 4.926 4.640 0.001 0.000 0.221 345 D C -2.320 173.996 176.300 0.026 0.000 1.123 345 D CA -1.527 52.419 54.000 -0.090 0.000 0.869 345 D CB 0.909 41.650 40.800 -0.098 0.000 1.032 345 D HN -0.095 nan 8.370 nan 0.000 0.506 346 P HA 0.077 nan 4.420 nan 0.000 0.264 346 P C -0.790 176.483 177.300 -0.044 0.000 1.193 346 P CA -0.113 63.050 63.100 0.106 0.000 0.763 346 P CB 0.675 32.505 31.700 0.217 0.000 0.810 347 A N 3.984 126.435 122.820 -0.614 0.000 2.279 347 A HA 0.499 4.819 4.320 0.001 0.000 0.306 347 A C 1.558 179.021 177.584 -0.201 0.000 1.300 347 A CA 0.138 51.952 52.037 -0.371 0.000 0.925 347 A CB -0.105 18.575 19.000 -0.532 0.000 1.152 347 A HN 0.580 nan 8.150 nan 0.000 0.544 348 A N 3.009 125.613 122.820 -0.361 0.000 1.869 348 A HA 0.207 4.528 4.320 0.001 0.000 0.218 348 A C 2.071 179.172 177.584 -0.805 0.000 1.203 348 A CA 1.963 53.379 52.037 -1.034 0.000 0.638 348 A CB -1.253 16.688 19.000 -1.764 0.000 0.831 348 A HN 2.610 nan 8.150 nan 0.000 0.450 349 G N -1.883 106.487 108.800 -0.717 0.000 2.246 349 G HA2 -0.050 3.911 3.960 0.001 0.000 0.273 349 G HA3 -0.050 3.911 3.960 0.001 0.000 0.273 349 G C 0.417 175.020 174.900 -0.496 0.000 1.055 349 G CA 0.898 45.745 45.100 -0.421 0.000 0.851 349 G HN 1.982 nan 8.290 nan 0.000 0.500 350 V N -2.042 117.374 119.914 -0.830 0.000 2.778 350 V HA 0.717 4.838 4.120 0.001 0.000 0.356 350 V C 0.789 176.762 176.094 -0.201 0.000 1.283 350 V CA 0.191 62.117 62.300 -0.623 0.000 1.247 350 V CB -0.096 31.103 31.823 -1.039 0.000 1.408 350 V HN 1.220 nan 8.190 nan 0.000 0.620 351 S N 0.268 115.925 115.700 -0.072 0.000 2.645 351 S HA 0.556 5.026 4.470 0.001 0.000 0.266 351 S C -1.313 173.361 174.600 0.124 0.000 1.258 351 S CA -0.708 57.601 58.200 0.181 0.000 0.990 351 S CB 1.308 64.563 63.200 0.092 0.000 0.967 351 S HN 0.253 nan 8.310 nan 0.000 0.556 352 P HA -0.173 nan 4.420 nan 0.000 0.217 352 P C 1.106 178.424 177.300 0.031 0.000 1.162 352 P CA 1.704 64.839 63.100 0.059 0.000 0.901 352 P CB -0.050 31.613 31.700 -0.063 0.000 0.793 353 E N -0.481 119.715 120.200 -0.007 0.000 2.072 353 E HA -0.179 4.172 4.350 0.001 0.000 0.191 353 E C 1.992 178.589 176.600 -0.005 0.000 0.985 353 E CA 1.202 57.598 56.400 -0.007 0.000 0.801 353 E CB -0.710 28.971 29.700 -0.032 0.000 0.750 353 E HN 0.456 nan 8.360 nan 0.000 0.452 354 E N 0.654 120.817 120.200 -0.062 0.000 2.077 354 E HA -0.158 4.193 4.350 0.001 0.000 0.193 354 E C 2.135 178.679 176.600 -0.092 0.000 0.989 354 E CA 0.759 57.092 56.400 -0.111 0.000 0.800 354 E CB -0.215 29.358 29.700 -0.212 0.000 0.746 354 E HN 0.182 nan 8.360 nan 0.000 0.452 355 R N 0.945 121.385 120.500 -0.100 0.000 2.152 355 R HA -0.114 4.226 4.340 0.001 0.000 0.232 355 R C 2.177 178.444 176.300 -0.054 0.000 1.117 355 R CA 1.052 57.070 56.100 -0.137 0.000 0.981 355 R CB -0.097 30.233 30.300 0.050 0.000 0.870 355 R HN 0.324 nan 8.270 nan 0.000 0.451 356 E N -0.384 119.829 120.200 0.022 0.000 2.028 356 E HA -0.224 4.127 4.350 0.001 0.000 0.190 356 E C 1.683 178.304 176.600 0.035 0.000 0.984 356 E CA 1.037 57.462 56.400 0.042 0.000 0.800 356 E CB -0.236 29.497 29.700 0.055 0.000 0.758 356 E HN 0.365 nan 8.360 nan 0.000 0.448 357 W N 2.188 123.411 121.300 -0.128 0.000 2.315 357 W HA -0.250 4.410 4.660 0.001 0.000 0.323 357 W C 2.005 178.429 176.519 -0.158 0.000 1.233 357 W CA 1.754 59.018 57.345 -0.134 0.000 1.267 357 W CB -0.484 28.885 29.460 -0.153 0.000 1.160 357 W HN -0.047 nan 8.180 nan 0.000 0.474 358 L N 0.247 121.471 121.223 0.003 0.000 2.051 358 L HA -0.278 4.063 4.340 0.001 0.000 0.214 358 L C 2.453 179.195 176.870 -0.213 0.000 1.076 358 L CA 2.057 56.723 54.840 -0.289 0.000 0.758 358 L CB -1.085 40.375 42.059 -0.998 0.000 0.890 358 L HN 0.051 nan 8.230 nan 0.000 0.433 359 E N 0.243 120.372 120.200 -0.118 0.000 2.150 359 E HA -0.246 4.105 4.350 0.001 0.000 0.193 359 E C 1.992 178.574 176.600 -0.029 0.000 0.985 359 E CA 1.310 57.742 56.400 0.054 0.000 0.814 359 E CB 0.045 29.803 29.700 0.097 0.000 0.752 359 E HN 0.465 nan 8.360 nan 0.000 0.466 360 E N -0.411 119.690 120.200 -0.165 0.000 2.051 360 E HA -0.141 4.210 4.350 0.001 0.000 0.189 360 E C 1.429 177.811 176.600 -0.363 0.000 0.979 360 E CA 0.798 57.059 56.400 -0.230 0.000 0.803 360 E CB 0.098 29.638 29.700 -0.266 0.000 0.761 360 E HN -0.028 nan 8.360 nan 0.000 0.451 361 K N -0.129 119.895 120.400 -0.627 0.000 2.288 361 K HA -0.047 4.274 4.320 0.001 0.000 0.201 361 K C -0.129 175.934 176.600 -0.895 0.000 1.048 361 K CA 0.711 56.474 56.287 -0.873 0.000 0.956 361 K CB 0.110 31.797 32.500 -1.355 0.000 0.746 361 K HN 0.234 nan 8.250 nan 0.000 0.461 362 Y N 0.308 120.547 120.300 -0.101 0.000 2.541 362 Y HA 0.276 4.827 4.550 0.001 0.000 0.350 362 Y C -2.548 173.428 175.900 0.127 0.000 1.075 362 Y CA -2.928 55.227 58.100 0.090 0.000 1.302 362 Y CB 1.321 39.926 38.460 0.242 0.000 1.094 362 Y HN -0.145 nan 8.280 nan 0.000 0.579 363 P HA 0.150 nan 4.420 nan 0.000 0.261 363 P C 0.940 178.362 177.300 0.202 0.000 1.203 363 P CA 1.440 64.628 63.100 0.147 0.000 0.767 363 P CB 0.586 32.335 31.700 0.081 0.000 0.785 364 G N 2.616 111.546 108.800 0.216 0.000 2.184 364 G HA2 -0.247 3.714 3.960 0.001 0.000 0.206 364 G HA3 -0.247 3.714 3.960 0.001 0.000 0.206 364 G C 0.845 175.892 174.900 0.245 0.000 0.995 364 G CA -0.074 45.141 45.100 0.192 0.000 0.651 364 G HN 0.512 nan 8.290 nan 0.000 0.511 365 W N 1.564 122.955 121.300 0.151 0.000 2.335 365 W HA -0.060 4.600 4.660 0.001 0.000 0.311 365 W C 2.135 178.762 176.519 0.181 0.000 1.213 365 W CA 2.147 59.602 57.345 0.182 0.000 1.274 365 W CB -0.079 29.464 29.460 0.139 0.000 1.148 365 W HN 0.256 nan 8.180 nan 0.000 0.498 366 N N 0.113 119.143 118.700 0.549 0.000 2.309 366 N HA -0.152 4.589 4.740 0.001 0.000 0.182 366 N C 0.853 176.441 175.510 0.130 0.000 1.018 366 N CA 1.560 54.848 53.050 0.397 0.000 0.876 366 N CB -0.418 38.299 38.487 0.383 0.000 0.972 366 N HN 0.247 nan 8.380 nan 0.000 0.434 367 D N -0.508 119.942 120.400 0.083 0.000 2.289 367 D HA -0.024 4.617 4.640 0.001 0.000 0.207 367 D C 1.832 178.082 176.300 -0.083 0.000 0.966 367 D CA 0.805 54.813 54.000 0.014 0.000 0.868 367 D CB 0.332 41.152 40.800 0.032 0.000 0.943 367 D HN 0.405 nan 8.370 nan 0.000 0.514 368 T N -2.986 111.465 114.554 -0.173 0.000 3.610 368 T HA -0.014 4.337 4.350 0.001 0.000 0.209 368 T C 1.773 176.155 174.700 -0.531 0.000 0.889 368 T CA -0.228 61.645 62.100 -0.377 0.000 1.469 368 T CB -0.890 67.685 68.868 -0.489 0.000 1.557 368 T HN 0.048 nan 8.240 nan 0.000 0.431 369 W N 2.072 123.019 121.300 -0.587 0.000 2.342 369 W HA 0.147 4.807 4.660 0.001 0.000 0.297 369 W C 2.777 178.837 176.519 -0.765 0.000 1.213 369 W CA 0.699 57.570 57.345 -0.789 0.000 1.251 369 W CB -0.833 27.825 29.460 -1.336 0.000 1.136 369 W HN 0.636 nan 8.180 nan 0.000 0.526 370 G N -0.115 108.275 108.800 -0.683 0.000 2.450 370 G HA2 -0.300 3.660 3.960 0.001 0.000 0.220 370 G HA3 -0.300 3.660 3.960 0.001 0.000 0.220 370 G C 1.327 176.266 174.900 0.065 0.000 1.130 370 G CA 1.136 46.141 45.100 -0.159 0.000 0.760 370 G HN 0.307 nan 8.290 nan 0.000 0.557 371 Q N -0.710 119.064 119.800 -0.043 0.000 2.046 371 Q HA -0.089 4.252 4.340 0.001 0.000 0.200 371 Q C 2.821 178.805 176.000 -0.026 0.000 0.975 371 Q CA 1.684 57.471 55.803 -0.025 0.000 0.836 371 Q CB -0.309 28.380 28.738 -0.082 0.000 0.896 371 Q HN 0.524 nan 8.270 nan 0.000 0.428 372 C N -0.752 118.489 119.300 -0.099 0.000 2.398 372 C HA -0.192 4.269 4.460 0.001 0.000 0.276 372 C C 2.141 177.082 174.990 -0.083 0.000 1.222 372 C CA 0.666 59.590 59.018 -0.156 0.000 1.746 372 C CB -1.376 26.198 27.740 -0.278 0.000 2.039 372 C HN 0.668 nan 8.230 nan 0.000 0.470 373 W N 1.246 122.551 121.300 0.007 0.000 2.342 373 W HA -0.130 4.531 4.660 0.001 0.000 0.297 373 W C 2.214 178.749 176.519 0.028 0.000 1.213 373 W CA 1.137 58.501 57.345 0.032 0.000 1.251 373 W CB -0.497 29.009 29.460 0.076 0.000 1.136 373 W HN 0.374 nan 8.180 nan 0.000 0.526 374 D N -0.033 120.502 120.400 0.226 0.000 2.092 374 D HA -0.196 4.444 4.640 0.001 0.000 0.193 374 D C 2.225 178.573 176.300 0.081 0.000 0.994 374 D CA 1.916 55.985 54.000 0.116 0.000 0.828 374 D CB -0.969 39.879 40.800 0.079 0.000 0.963 374 D HN 0.003 nan 8.370 nan 0.000 0.450 375 V N 1.383 121.332 119.914 0.058 0.000 2.332 375 V HA -0.227 3.893 4.120 0.001 0.000 0.248 375 V C 2.556 178.699 176.094 0.081 0.000 1.055 375 V CA 1.154 63.476 62.300 0.038 0.000 1.038 375 V CB -0.417 31.403 31.823 -0.005 0.000 0.651 375 V HN 0.206 nan 8.190 nan 0.000 0.450 376 I N 0.100 120.752 120.570 0.136 0.000 2.226 376 I HA -0.222 3.949 4.170 0.001 0.000 0.245 376 I C 2.518 178.788 176.117 0.255 0.000 1.100 376 I CA 1.837 63.280 61.300 0.238 0.000 1.374 376 I CB -0.652 37.544 38.000 0.327 0.000 1.057 376 I HN 0.342 nan 8.210 nan 0.000 0.413 377 T N 0.090 114.781 114.554 0.228 0.000 2.777 377 T HA -0.149 4.202 4.350 0.001 0.000 0.266 377 T C 1.450 176.155 174.700 0.009 0.000 1.040 377 T CA 1.464 63.632 62.100 0.112 0.000 1.141 377 T CB -0.329 68.495 68.868 -0.074 0.000 0.868 377 T HN 0.301 nan 8.240 nan 0.000 0.444 378 D N 1.592 122.000 120.400 0.013 0.000 2.092 378 D HA -0.093 4.547 4.640 0.001 0.000 0.193 378 D C 1.994 178.296 176.300 0.003 0.000 0.994 378 D CA 1.147 55.150 54.000 0.006 0.000 0.828 378 D CB -0.804 40.003 40.800 0.012 0.000 0.963 378 D HN 0.439 nan 8.370 nan 0.000 0.450 379 N N -0.007 118.704 118.700 0.018 0.000 2.137 379 N HA -0.128 4.613 4.740 0.001 0.000 0.190 379 N C 1.897 177.393 175.510 -0.023 0.000 1.017 379 N CA 0.534 53.587 53.050 0.004 0.000 0.859 379 N CB -0.087 38.415 38.487 0.025 0.000 1.002 379 N HN 0.125 nan 8.380 nan 0.000 0.428 380 L N -0.076 121.136 121.223 -0.017 0.000 2.072 380 L HA -0.082 4.259 4.340 0.001 0.000 0.205 380 L C 2.139 178.945 176.870 -0.106 0.000 1.079 380 L CA 0.587 55.372 54.840 -0.091 0.000 0.752 380 L CB -0.278 41.724 42.059 -0.094 0.000 0.906 380 L HN 0.061 nan 8.230 nan 0.000 0.436 381 V N 0.068 119.943 119.914 -0.065 0.000 2.295 381 V HA -0.255 3.865 4.120 0.001 0.000 0.246 381 V C 1.513 177.586 176.094 -0.036 0.000 1.049 381 V CA 1.629 63.907 62.300 -0.038 0.000 1.024 381 V CB -0.576 31.251 31.823 0.008 0.000 0.648 381 V HN 0.512 nan 8.190 nan 0.000 0.447 382 N N 0.520 119.201 118.700 -0.031 0.000 2.421 382 N HA 0.112 4.852 4.740 0.001 0.000 0.201 382 N C 1.295 176.778 175.510 -0.043 0.000 1.198 382 N CA 0.901 53.933 53.050 -0.029 0.000 0.838 382 N CB 0.237 38.713 38.487 -0.019 0.000 1.011 382 N HN 0.593 nan 8.380 nan 0.000 0.463 383 G N 1.209 109.971 108.800 -0.064 0.000 2.295 383 G HA2 -0.308 3.653 3.960 0.001 0.000 0.287 383 G HA3 -0.308 3.653 3.960 0.001 0.000 0.287 383 G C 0.075 174.930 174.900 -0.075 0.000 1.055 383 G CA 0.094 45.148 45.100 -0.078 0.000 0.922 383 G HN 0.375 nan 8.290 nan 0.000 0.503 384 K N 0.041 120.396 120.400 -0.075 0.000 3.022 384 K HA 0.205 4.526 4.320 0.001 0.000 0.178 384 K C -1.306 175.246 176.600 -0.081 0.000 1.089 384 K CA -1.244 55.003 56.287 -0.067 0.000 0.916 384 K CB 1.869 34.343 32.500 -0.044 0.000 1.159 384 K HN 0.196 nan 8.250 nan 0.000 0.592 385 P HA -0.271 nan 4.420 nan 0.000 0.215 385 P C 1.113 178.332 177.300 -0.135 0.000 1.153 385 P CA 1.466 64.473 63.100 -0.156 0.000 0.853 385 P CB 0.281 31.847 31.700 -0.224 0.000 0.788 386 E N 0.885 121.013 120.200 -0.120 0.000 2.233 386 E HA -0.186 4.164 4.350 0.001 0.000 0.199 386 E C 1.924 178.452 176.600 -0.119 0.000 1.004 386 E CA 1.076 57.403 56.400 -0.121 0.000 0.819 386 E CB -1.383 28.262 29.700 -0.092 0.000 0.738 386 E HN 0.351 nan 8.360 nan 0.000 0.478 387 L N 1.721 122.896 121.223 -0.081 0.000 2.599 387 L HA 0.040 4.380 4.340 0.001 0.000 0.230 387 L C 1.946 178.806 176.870 -0.016 0.000 1.141 387 L CA 1.127 55.943 54.840 -0.039 0.000 0.877 387 L CB -0.242 41.810 42.059 -0.012 0.000 1.009 387 L HN 0.257 nan 8.230 nan 0.000 0.447 388 T N -3.857 110.618 114.554 -0.132 0.000 3.054 388 T HA 0.200 4.551 4.350 0.001 0.000 0.255 388 T C 0.430 174.535 174.700 -0.992 0.000 1.035 388 T CA -0.164 61.781 62.100 -0.258 0.000 0.941 388 T CB -0.046 68.825 68.868 0.004 0.000 1.026 388 T HN 0.020 nan 8.240 nan 0.000 0.533 389 V N -0.675 118.775 119.914 -0.773 0.000 2.881 389 V HA 0.821 4.942 4.120 0.001 0.000 0.316 389 V C -2.846 172.846 176.094 -0.670 0.000 1.070 389 V CA -2.852 58.911 62.300 -0.895 0.000 0.976 389 V CB 1.820 33.336 31.823 -0.512 0.000 1.038 389 V HN 0.005 nan 8.190 nan 0.000 0.446 390 P HA 0.513 nan 4.420 nan 0.000 0.283 390 P C -0.526 176.667 177.300 -0.177 0.000 1.271 390 P CA -0.367 62.517 63.100 -0.361 0.000 0.841 390 P CB 2.083 33.309 31.700 -0.790 0.000 1.122 391 E N -1.190 118.967 120.200 -0.071 0.000 2.660 391 E HA 0.183 4.533 4.350 0.001 0.000 0.216 391 E C 0.001 176.601 176.600 -0.001 0.000 0.986 391 E CA 0.041 56.420 56.400 -0.034 0.000 1.037 391 E CB 0.970 30.649 29.700 -0.035 0.000 1.041 391 E HN 0.400 nan 8.360 nan 0.000 0.480 392 T N -0.293 114.293 114.554 0.053 0.000 2.792 392 T HA 0.445 4.795 4.350 0.001 0.000 0.303 392 T C -1.499 173.280 174.700 0.133 0.000 1.310 392 T CA -0.704 61.412 62.100 0.027 0.000 1.007 392 T CB 0.899 69.774 68.868 0.012 0.000 1.335 392 T HN -0.023 nan 8.240 nan 0.000 0.504 393 L N 2.954 124.118 121.223 -0.098 0.000 2.379 393 L HA 0.595 4.936 4.340 0.001 0.000 0.269 393 L C -1.787 174.923 176.870 -0.266 0.000 1.084 393 L CA -1.938 52.781 54.840 -0.202 0.000 0.802 393 L CB 0.518 42.354 42.059 -0.372 0.000 1.175 393 L HN 0.547 nan 8.230 nan 0.000 0.448 394 P HA 0.175 nan 4.420 nan 0.000 0.279 394 P C -0.678 176.387 177.300 -0.392 0.000 1.276 394 P CA -0.428 62.328 63.100 -0.572 0.000 0.801 394 P CB 0.773 31.837 31.700 -1.059 0.000 1.127 395 T N 1.852 116.231 114.554 -0.291 0.000 2.727 395 T HA 0.245 4.596 4.350 0.001 0.000 0.295 395 T C 0.469 175.043 174.700 -0.210 0.000 0.915 395 T CA -0.115 61.837 62.100 -0.246 0.000 1.066 395 T CB -0.422 68.322 68.868 -0.207 0.000 0.891 395 T HN 0.134 nan 8.240 nan 0.000 0.516 396 I N 2.821 123.278 120.570 -0.188 0.000 2.474 396 I HA 0.152 4.322 4.170 0.001 0.000 0.287 396 I C 1.259 177.353 176.117 -0.039 0.000 1.048 396 I CA -1.508 59.727 61.300 -0.108 0.000 1.383 396 I CB 0.033 38.002 38.000 -0.053 0.000 1.412 396 I HN 0.711 nan 8.210 nan 0.000 0.531 397 C N 6.937 126.248 119.300 0.019 0.000 2.662 397 C HA 0.132 4.593 4.460 0.001 0.000 0.420 397 C C 1.804 176.820 174.990 0.043 0.000 1.314 397 C CA -0.338 58.712 59.018 0.054 0.000 1.963 397 C CB -0.193 27.641 27.740 0.157 0.000 2.686 397 C HN 0.798 nan 8.230 nan 0.000 0.609 398 N N 2.506 121.145 118.700 -0.101 0.000 2.463 398 N HA -0.062 4.679 4.740 0.001 0.000 0.181 398 N C 1.194 176.832 175.510 0.214 0.000 1.078 398 N CA 0.794 53.849 53.050 0.007 0.000 0.902 398 N CB -0.011 38.364 38.487 -0.187 0.000 0.970 398 N HN 0.807 nan 8.380 nan 0.000 0.451 399 M N 0.794 120.583 119.600 0.316 0.000 2.369 399 M HA 0.018 4.499 4.480 0.001 0.000 0.254 399 M C 2.195 178.610 176.300 0.192 0.000 1.136 399 M CA 1.257 56.710 55.300 0.255 0.000 1.190 399 M CB -0.756 32.007 32.600 0.271 0.000 1.289 399 M HN 0.190 nan 8.290 nan 0.000 0.468 400 C N 0.196 119.623 119.300 0.212 0.000 2.626 400 C HA 0.353 4.814 4.460 0.001 0.000 0.266 400 C C 0.626 175.717 174.990 0.169 0.000 1.317 400 C CA -0.223 58.896 59.018 0.169 0.000 1.716 400 C CB -2.035 25.789 27.740 0.140 0.000 1.819 400 C HN 0.709 nan 8.230 nan 0.000 0.578 401 N N 0.979 119.789 118.700 0.184 0.000 2.710 401 N HA -0.157 4.584 4.740 0.001 0.000 0.249 401 N C -0.683 174.960 175.510 0.222 0.000 1.059 401 N CA 1.120 54.294 53.050 0.208 0.000 0.720 401 N CB -0.981 37.659 38.487 0.255 0.000 0.983 401 N HN 0.686 nan 8.380 nan 0.000 0.544 402 L N 0.034 121.351 121.223 0.157 0.000 2.354 402 L HA 0.578 4.918 4.340 0.001 0.000 0.264 402 L C -1.992 174.869 176.870 -0.015 0.000 1.008 402 L CA -1.903 53.013 54.840 0.127 0.000 0.819 402 L CB 2.039 44.183 42.059 0.142 0.000 1.339 402 L HN -0.185 nan 8.230 nan 0.000 0.420 403 P HA 0.021 nan 4.420 nan 0.000 0.267 403 P C -0.670 176.597 177.300 -0.055 0.000 1.200 403 P CA 0.241 63.208 63.100 -0.221 0.000 0.772 403 P CB 0.783 32.242 31.700 -0.402 0.000 0.855 404 I N 2.007 122.558 120.570 -0.031 0.000 2.281 404 I HA 0.376 4.547 4.170 0.001 0.000 0.293 404 I C 0.656 176.831 176.117 0.097 0.000 1.085 404 I CA -0.004 61.340 61.300 0.072 0.000 1.257 404 I CB 0.267 38.315 38.000 0.080 0.000 1.430 404 I HN 0.396 nan 8.210 nan 0.000 0.489 405 A N 5.327 128.254 122.820 0.179 0.000 2.556 405 A HA 0.885 5.206 4.320 0.001 0.000 0.294 405 A C -1.254 176.598 177.584 0.447 0.000 1.091 405 A CA -0.318 51.875 52.037 0.260 0.000 0.704 405 A CB 1.933 21.080 19.000 0.246 0.000 1.300 405 A HN 0.699 nan 8.150 nan 0.000 0.406 406 H N -1.101 118.148 119.070 0.298 0.000 2.954 406 H HA 0.487 5.044 4.556 0.001 0.000 0.262 406 H C -0.396 174.967 175.328 0.059 0.000 1.515 406 H CA 0.386 56.634 56.048 0.334 0.000 1.179 406 H CB 0.763 30.641 29.762 0.193 0.000 1.888 406 H HN 0.653 nan 8.280 nan 0.000 0.645 407 T N 4.884 119.263 114.554 -0.291 0.000 2.822 407 T HA 0.147 4.498 4.350 0.001 0.000 0.288 407 T C -2.270 172.152 174.700 -0.464 0.000 0.991 407 T CA -0.252 61.454 62.100 -0.655 0.000 1.176 407 T CB 0.273 68.928 68.868 -0.355 0.000 0.951 407 T HN 0.299 nan 8.240 nan 0.000 0.526 408 P HA 0.635 nan 4.420 nan 0.000 0.348 408 P C 0.730 177.857 177.300 -0.289 0.000 1.239 408 P CA -0.106 62.811 63.100 -0.305 0.000 0.783 408 P CB 0.894 32.329 31.700 -0.442 0.000 1.515 409 G N 0.291 108.953 108.800 -0.230 0.000 2.547 409 G HA2 -0.294 3.666 3.960 0.001 0.000 0.271 409 G HA3 -0.294 3.666 3.960 0.001 0.000 0.271 409 G C 0.859 175.705 174.900 -0.089 0.000 1.209 409 G CA 0.534 45.528 45.100 -0.176 0.000 0.959 409 G HN 0.578 nan 8.290 nan 0.000 0.563 410 N N 1.079 119.738 118.700 -0.069 0.000 2.396 410 N HA -0.026 4.714 4.740 0.001 0.000 0.180 410 N C 1.187 176.705 175.510 0.014 0.000 1.028 410 N CA 1.472 54.510 53.050 -0.020 0.000 0.893 410 N CB -0.001 38.480 38.487 -0.010 0.000 0.967 410 N HN 0.664 nan 8.380 nan 0.000 0.440 411 K N 0.165 120.564 120.400 -0.003 0.000 3.010 411 K HA 0.064 4.385 4.320 0.001 0.000 0.211 411 K C -0.729 175.902 176.600 0.050 0.000 1.146 411 K CA -0.665 55.636 56.287 0.024 0.000 1.070 411 K CB -0.041 32.459 32.500 0.000 0.000 0.908 411 K HN 0.075 nan 8.250 nan 0.000 0.463 412 W N 2.710 123.940 121.300 -0.117 0.000 2.476 412 W HA -0.142 4.518 4.660 0.001 0.000 0.338 412 W C 0.201 176.693 176.519 -0.046 0.000 1.328 412 W CA 0.820 58.096 57.345 -0.116 0.000 1.300 412 W CB 0.105 29.504 29.460 -0.101 0.000 1.252 412 W HN 0.325 nan 8.180 nan 0.000 0.568 413 N N 5.133 123.587 118.700 -0.410 0.000 2.620 413 N HA 0.092 4.833 4.740 0.001 0.000 0.277 413 N C -2.205 173.099 175.510 -0.345 0.000 1.726 413 N CA -0.328 52.490 53.050 -0.387 0.000 0.840 413 N CB 0.021 38.474 38.487 -0.057 0.000 1.379 413 N HN 0.045 nan 8.380 nan 0.000 0.506 414 V N 1.962 121.453 119.914 -0.705 0.000 2.385 414 V HA 0.409 4.530 4.120 0.001 0.000 0.269 414 V C 0.126 176.033 176.094 -0.311 0.000 1.043 414 V CA -0.111 62.018 62.300 -0.285 0.000 0.906 414 V CB 0.904 32.692 31.823 -0.058 0.000 0.995 414 V HN 0.205 nan 8.190 nan 0.000 0.467 415 K N 3.163 123.452 120.400 -0.185 0.000 2.350 415 K HA 0.629 4.949 4.320 0.001 0.000 0.241 415 K C -1.297 175.183 176.600 -0.200 0.000 0.994 415 K CA -0.960 55.166 56.287 -0.269 0.000 0.839 415 K CB 2.476 34.729 32.500 -0.410 0.000 1.244 415 K HN 0.550 nan 8.250 nan 0.000 0.443 416 D N 1.027 121.252 120.400 -0.292 0.000 2.620 416 D HA 0.186 4.827 4.640 0.001 0.000 0.252 416 D C -1.340 174.816 176.300 -0.240 0.000 1.207 416 D CA -0.498 53.438 54.000 -0.106 0.000 0.884 416 D CB 0.620 41.445 40.800 0.042 0.000 1.262 416 D HN 0.370 nan 8.370 nan 0.000 0.552 417 Y N 2.595 122.964 120.300 0.114 0.000 2.735 417 Y HA 0.212 4.763 4.550 0.001 0.000 0.354 417 Y C 1.235 177.238 175.900 0.172 0.000 1.288 417 Y CA -0.520 57.656 58.100 0.126 0.000 1.836 417 Y CB -0.059 38.486 38.460 0.142 0.000 1.920 417 Y HN 0.151 nan 8.280 nan 0.000 0.438 418 Q N 1.766 121.617 119.800 0.085 0.000 2.540 418 Q HA 0.319 4.660 4.340 0.001 0.000 0.256 418 Q C -0.891 175.177 176.000 0.113 0.000 1.084 418 Q CA -0.047 55.738 55.803 -0.030 0.000 0.956 418 Q CB 0.839 29.465 28.738 -0.186 0.000 1.303 418 Q HN 0.566 nan 8.270 nan 0.000 0.509 419 L N 0.318 121.607 121.223 0.110 0.000 2.614 419 L HA 0.275 4.616 4.340 0.001 0.000 0.264 419 L C -1.527 175.478 176.870 0.224 0.000 0.940 419 L CA -0.145 54.805 54.840 0.184 0.000 0.903 419 L CB 2.061 44.263 42.059 0.239 0.000 1.306 419 L HN 0.628 nan 8.230 nan 0.000 0.410 420 E N 3.743 124.058 120.200 0.192 0.000 2.200 420 E HA 0.316 4.666 4.350 0.001 0.000 0.283 420 E C -1.998 174.800 176.600 0.330 0.000 1.015 420 E CA -0.461 56.072 56.400 0.221 0.000 0.819 420 E CB 0.938 30.709 29.700 0.118 0.000 1.081 420 E HN 0.599 nan 8.360 nan 0.000 0.397 421 Y N 3.449 123.928 120.300 0.300 0.000 2.354 421 Y HA 0.163 4.714 4.550 0.001 0.000 0.330 421 Y C -0.687 175.392 175.900 0.298 0.000 1.011 421 Y CA -0.653 57.627 58.100 0.299 0.000 1.099 421 Y CB 1.261 39.934 38.460 0.355 0.000 1.179 421 Y HN 0.805 nan 8.280 nan 0.000 0.442 422 E N 4.378 124.479 120.200 -0.165 0.000 2.228 422 E HA -0.233 4.118 4.350 0.001 0.000 0.213 422 E C 0.959 177.605 176.600 0.076 0.000 1.282 422 E CA 1.325 57.678 56.400 -0.079 0.000 0.707 422 E CB -1.159 28.498 29.700 -0.071 0.000 1.150 422 E HN 1.246 nan 8.360 nan 0.000 0.362 423 G N 0.231 109.071 108.800 0.067 0.000 2.153 423 G HA2 -0.386 3.574 3.960 0.001 0.000 0.252 423 G HA3 -0.386 3.574 3.960 0.001 0.000 0.252 423 G C 0.114 175.056 174.900 0.070 0.000 0.994 423 G CA 0.603 45.740 45.100 0.062 0.000 0.698 423 G HN 0.449 nan 8.290 nan 0.000 0.521 424 R N -0.848 119.721 120.500 0.115 0.000 2.621 424 R HA 0.659 4.999 4.340 0.001 0.000 0.284 424 R C -1.149 175.134 176.300 -0.027 0.000 0.998 424 R CA -1.079 55.023 56.100 0.002 0.000 0.895 424 R CB 1.086 31.355 30.300 -0.051 0.000 1.195 424 R HN 0.297 nan 8.270 nan 0.000 0.450 425 L N 4.432 125.575 121.223 -0.133 0.000 2.264 425 L HA 0.420 4.760 4.340 0.001 0.000 0.289 425 L C -1.592 175.101 176.870 -0.296 0.000 1.044 425 L CA -0.057 54.717 54.840 -0.110 0.000 0.807 425 L CB 0.677 42.700 42.059 -0.059 0.000 1.192 425 L HN 0.554 nan 8.230 nan 0.000 0.425 426 Y N 3.228 123.403 120.300 -0.208 0.000 2.420 426 Y HA 0.515 5.066 4.550 0.001 0.000 0.334 426 Y C -0.400 175.111 175.900 -0.648 0.000 1.094 426 Y CA -0.394 57.470 58.100 -0.393 0.000 1.126 426 Y CB 1.402 39.537 38.460 -0.541 0.000 1.217 426 Y HN 0.562 nan 8.280 nan 0.000 0.462 427 H N 1.866 120.655 119.070 -0.467 0.000 2.505 427 H HA 0.488 5.045 4.556 0.001 0.000 0.338 427 H C -1.501 173.449 175.328 -0.630 0.000 1.057 427 H CA -0.797 55.033 56.048 -0.364 0.000 1.202 427 H CB 0.881 30.529 29.762 -0.189 0.000 1.466 427 H HN 0.392 nan 8.280 nan 0.000 0.499 428 F N 0.042 120.097 119.950 0.174 0.000 2.551 428 F HA 0.361 4.889 4.527 0.001 0.000 0.316 428 F C 1.452 177.405 175.800 0.256 0.000 1.089 428 F CA -0.892 57.212 58.000 0.173 0.000 0.915 428 F CB 2.077 41.145 39.000 0.114 0.000 1.186 428 F HN 0.740 nan 8.300 nan 0.000 0.456 429 G N 0.484 109.520 108.800 0.393 0.000 2.776 429 G HA2 0.308 4.269 3.960 0.001 0.000 0.209 429 G HA3 0.308 4.269 3.960 0.001 0.000 0.209 429 G C -0.056 175.060 174.900 0.360 0.000 1.145 429 G CA 0.823 46.127 45.100 0.340 0.000 0.791 429 G HN 0.720 nan 8.290 nan 0.000 0.530 430 S N -2.182 113.654 115.700 0.227 0.000 2.645 430 S HA 0.253 4.724 4.470 0.001 0.000 0.268 430 S C 0.278 174.328 174.600 -0.917 0.000 1.110 430 S CA -0.001 58.000 58.200 -0.333 0.000 0.823 430 S CB 1.138 64.373 63.200 0.060 0.000 1.091 430 S HN -0.043 nan 8.310 nan 0.000 0.466 431 E N 1.320 120.716 120.200 -1.341 0.000 2.070 431 E HA -0.077 4.274 4.350 0.001 0.000 0.197 431 E C 2.146 178.554 176.600 -0.321 0.000 1.004 431 E CA 2.616 58.554 56.400 -0.770 0.000 0.805 431 E CB -0.733 28.754 29.700 -0.354 0.000 0.744 431 E HN 0.826 nan 8.360 nan 0.000 0.451 432 A N 0.685 123.160 122.820 -0.575 0.000 1.902 432 A HA -0.204 4.117 4.320 0.001 0.000 0.217 432 A C 1.979 179.315 177.584 -0.414 0.000 1.181 432 A CA 1.814 53.447 52.037 -0.672 0.000 0.623 432 A CB -0.672 16.884 19.000 -2.406 0.000 0.818 432 A HN 0.309 nan 8.150 nan 0.000 0.443 433 D N -0.811 119.360 120.400 -0.382 0.000 2.123 433 D HA -0.179 4.462 4.640 0.001 0.000 0.196 433 D C 2.123 178.219 176.300 -0.341 0.000 0.992 433 D CA 1.518 55.480 54.000 -0.062 0.000 0.833 433 D CB -0.222 40.726 40.800 0.246 0.000 0.954 433 D HN 0.546 nan 8.370 nan 0.000 0.455 434 R N -0.243 119.928 120.500 -0.548 0.000 2.092 434 R HA -0.153 4.188 4.340 0.001 0.000 0.231 434 R C 2.216 178.189 176.300 -0.546 0.000 1.119 434 R CA 1.025 56.428 56.100 -1.163 0.000 0.970 434 R CB -0.410 29.508 30.300 -0.637 0.000 0.864 434 R HN 0.205 nan 8.270 nan 0.000 0.440 435 W N 0.524 121.602 121.300 -0.370 0.000 2.392 435 W HA -0.167 4.494 4.660 0.001 0.000 0.279 435 W C 1.695 178.125 176.519 -0.149 0.000 1.225 435 W CA 0.803 58.024 57.345 -0.206 0.000 1.233 435 W CB -0.383 29.033 29.460 -0.072 0.000 1.122 435 W HN 0.107 nan 8.180 nan 0.000 0.561 436 C N -0.100 119.016 119.300 -0.307 0.000 2.440 436 C HA -0.151 4.310 4.460 0.001 0.000 0.278 436 C C 2.569 177.259 174.990 -0.499 0.000 1.295 436 C CA 1.195 59.940 59.018 -0.456 0.000 1.738 436 C CB -1.853 25.751 27.740 -0.226 0.000 1.987 436 C HN 0.476 nan 8.230 nan 0.000 0.492 437 F N 1.394 120.936 119.950 -0.680 0.000 2.128 437 F HA -0.153 4.374 4.527 0.001 0.000 0.295 437 F C 2.597 178.136 175.800 -0.434 0.000 1.100 437 F CA 1.663 59.294 58.000 -0.615 0.000 1.260 437 F CB -0.474 38.133 39.000 -0.656 0.000 1.009 437 F HN 0.233 nan 8.300 nan 0.000 0.476 438 Q N 0.355 120.032 119.800 -0.205 0.000 2.167 438 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 438 Q C 2.215 178.040 176.000 -0.291 0.000 0.970 438 Q CA 1.906 57.594 55.803 -0.192 0.000 0.855 438 Q CB -0.365 28.327 28.738 -0.076 0.000 0.911 438 Q HN 0.712 nan 8.270 nan 0.000 0.438 439 I N -2.253 118.037 120.570 -0.467 0.000 3.291 439 I HA 0.042 4.212 4.170 0.001 0.000 0.279 439 I C 0.194 176.140 176.117 -0.286 0.000 1.294 439 I CA 0.639 61.695 61.300 -0.406 0.000 1.428 439 I CB 0.271 37.888 38.000 -0.638 0.000 1.070 439 I HN -0.118 nan 8.210 nan 0.000 0.478 440 D N 0.925 121.147 120.400 -0.295 0.000 3.449 440 D HA 0.148 4.788 4.640 0.001 0.000 0.262 440 D C -1.762 174.345 176.300 -0.323 0.000 1.343 440 D CA -1.354 52.510 54.000 -0.226 0.000 0.787 440 D CB 0.748 41.466 40.800 -0.136 0.000 1.412 440 D HN -0.031 nan 8.370 nan 0.000 0.652 441 P HA -0.150 nan 4.420 nan 0.000 0.216 441 P C 1.078 178.035 177.300 -0.572 0.000 1.150 441 P CA 0.916 63.440 63.100 -0.959 0.000 0.837 441 P CB 0.555 31.656 31.700 -0.998 0.000 0.786 442 E N 0.006 120.028 120.200 -0.296 0.000 2.209 442 E HA -0.186 4.165 4.350 0.001 0.000 0.196 442 E C 2.183 178.656 176.600 -0.212 0.000 0.993 442 E CA 0.791 57.089 56.400 -0.170 0.000 0.819 442 E CB -0.635 29.000 29.700 -0.108 0.000 0.745 442 E HN 0.391 nan 8.360 nan 0.000 0.477 443 R N -0.372 119.924 120.500 -0.340 0.000 2.148 443 R HA -0.104 4.236 4.340 0.001 0.000 0.223 443 R C 1.045 176.952 176.300 -0.655 0.000 1.088 443 R CA 1.071 56.840 56.100 -0.551 0.000 0.985 443 R CB 0.103 29.921 30.300 -0.803 0.000 0.880 443 R HN 0.193 nan 8.270 nan 0.000 0.451 444 Y N -0.853 119.337 120.300 -0.185 0.000 2.423 444 Y HA 0.239 4.790 4.550 0.001 0.000 0.257 444 Y C 1.707 177.716 175.900 0.182 0.000 1.087 444 Y CA -0.304 57.801 58.100 0.008 0.000 1.258 444 Y CB -0.081 38.432 38.460 0.087 0.000 1.237 444 Y HN 0.078 nan 8.280 nan 0.000 0.517 445 E N 2.182 122.474 120.200 0.153 0.000 2.110 445 E HA -0.367 3.984 4.350 0.001 0.000 0.225 445 E C 1.136 178.007 176.600 0.451 0.000 1.063 445 E CA 2.445 59.032 56.400 0.312 0.000 0.906 445 E CB -0.258 29.549 29.700 0.178 0.000 0.795 445 E HN 0.606 nan 8.360 nan 0.000 0.479 446 N N 0.093 118.976 118.700 0.305 0.000 2.370 446 N HA -0.092 4.649 4.740 0.001 0.000 0.198 446 N C 0.258 175.922 175.510 0.256 0.000 1.156 446 N CA 0.182 53.391 53.050 0.265 0.000 0.839 446 N CB -0.164 38.428 38.487 0.174 0.000 0.989 446 N HN 0.259 nan 8.380 nan 0.000 0.468 447 H N 0.732 119.950 119.070 0.247 0.000 2.707 447 H HA 0.213 4.770 4.556 0.001 0.000 0.359 447 H C -0.700 174.765 175.328 0.228 0.000 1.113 447 H CA 0.480 56.661 56.048 0.222 0.000 1.422 447 H CB 0.935 30.846 29.762 0.249 0.000 1.443 447 H HN 0.278 nan 8.280 nan 0.000 0.591 448 T N 2.728 116.993 114.554 -0.483 0.000 2.848 448 T HA 0.290 4.640 4.350 0.001 0.000 0.285 448 T C 0.038 174.590 174.700 -0.246 0.000 0.995 448 T CA -1.185 60.799 62.100 -0.192 0.000 0.970 448 T CB 1.253 70.063 68.868 -0.096 0.000 0.976 448 T HN 0.746 nan 8.240 nan 0.000 0.441 449 N N 2.948 121.683 118.700 0.058 0.000 2.366 449 N HA 0.206 4.947 4.740 0.001 0.000 0.277 449 N C 1.025 176.598 175.510 0.103 0.000 1.275 449 N CA -1.088 52.063 53.050 0.168 0.000 0.964 449 N CB -0.064 38.537 38.487 0.191 0.000 1.167 449 N HN 0.364 nan 8.380 nan 0.000 0.568 450 L N -0.090 121.219 121.223 0.143 0.000 2.046 450 L HA -0.033 4.308 4.340 0.001 0.000 0.208 450 L C 2.098 179.013 176.870 0.075 0.000 1.077 450 L CA 1.256 56.178 54.840 0.137 0.000 0.747 450 L CB -0.779 41.388 42.059 0.180 0.000 0.896 450 L HN 0.565 nan 8.230 nan 0.000 0.432 451 V N -0.255 119.669 119.914 0.017 0.000 2.343 451 V HA -0.310 3.811 4.120 0.001 0.000 0.247 451 V C 2.271 178.388 176.094 0.038 0.000 1.051 451 V CA 1.891 64.186 62.300 -0.009 0.000 1.036 451 V CB -0.644 31.120 31.823 -0.097 0.000 0.654 451 V HN 0.456 nan 8.190 nan 0.000 0.451 452 D N -0.062 120.343 120.400 0.009 0.000 2.116 452 D HA -0.199 4.442 4.640 0.001 0.000 0.193 452 D C 2.375 178.675 176.300 0.001 0.000 0.998 452 D CA 1.513 55.510 54.000 -0.005 0.000 0.836 452 D CB -0.257 40.534 40.800 -0.014 0.000 0.951 452 D HN 0.438 nan 8.370 nan 0.000 0.449 453 R N -0.529 119.974 120.500 0.005 0.000 2.092 453 R HA -0.076 4.265 4.340 0.001 0.000 0.231 453 R C 2.334 178.591 176.300 -0.072 0.000 1.119 453 R CA 0.529 56.602 56.100 -0.045 0.000 0.970 453 R CB -0.421 29.841 30.300 -0.064 0.000 0.864 453 R HN 0.167 nan 8.270 nan 0.000 0.440 454 F N 1.565 121.428 119.950 -0.144 0.000 2.075 454 F HA -0.135 4.393 4.527 0.001 0.000 0.297 454 F C 1.885 177.626 175.800 -0.098 0.000 1.113 454 F CA 1.455 59.374 58.000 -0.135 0.000 1.218 454 F CB -0.158 38.782 39.000 -0.101 0.000 0.984 454 F HN -0.118 nan 8.300 nan 0.000 0.472 455 L N -0.041 121.256 121.223 0.124 0.000 2.450 455 L HA -0.182 4.159 4.340 0.001 0.000 0.224 455 L C 1.733 178.572 176.870 -0.053 0.000 1.149 455 L CA 1.155 56.017 54.840 0.037 0.000 0.816 455 L CB -0.564 41.525 42.059 0.049 0.000 0.932 455 L HN 0.155 nan 8.230 nan 0.000 0.449 456 K N -0.373 119.981 120.400 -0.077 0.000 2.374 456 K HA 0.169 4.490 4.320 0.001 0.000 0.196 456 K C 1.246 177.779 176.600 -0.112 0.000 1.023 456 K CA 0.541 56.782 56.287 -0.077 0.000 1.103 456 K CB 0.617 33.084 32.500 -0.055 0.000 0.848 456 K HN 0.316 nan 8.250 nan 0.000 0.528 457 G N 1.770 110.458 108.800 -0.185 0.000 2.179 457 G HA2 -0.300 3.661 3.960 0.001 0.000 0.260 457 G HA3 -0.300 3.661 3.960 0.001 0.000 0.260 457 G C 0.515 175.305 174.900 -0.183 0.000 0.977 457 G CA 0.370 45.350 45.100 -0.200 0.000 0.641 457 G HN 0.429 nan 8.290 nan 0.000 0.533 458 E N -0.517 119.574 120.200 -0.182 0.000 2.478 458 E HA 0.183 4.534 4.350 0.001 0.000 0.198 458 E C 0.837 177.287 176.600 -0.250 0.000 1.046 458 E CA 0.272 56.579 56.400 -0.154 0.000 0.870 458 E CB 0.101 29.734 29.700 -0.111 0.000 0.818 458 E HN 0.644 nan 8.360 nan 0.000 0.527 459 I N 1.946 122.306 120.570 -0.350 0.000 2.355 459 I HA 0.208 4.378 4.170 0.001 0.000 0.288 459 I C -0.485 175.485 176.117 -0.246 0.000 0.999 459 I CA -0.628 60.449 61.300 -0.371 0.000 1.163 459 I CB 1.208 38.957 38.000 -0.418 0.000 1.316 459 I HN -0.156 nan 8.210 nan 0.000 0.454 460 Q N 6.115 125.854 119.800 -0.102 0.000 2.305 460 Q HA 0.497 4.837 4.340 0.001 0.000 0.271 460 Q C -2.416 173.587 176.000 0.004 0.000 1.046 460 Q CA -1.778 53.985 55.803 -0.067 0.000 0.798 460 Q CB 2.313 31.019 28.738 -0.053 0.000 1.286 460 Q HN 0.376 nan 8.270 nan 0.000 0.435 461 P HA 0.092 nan 4.420 nan 0.000 0.268 461 P C -0.636 176.630 177.300 -0.057 0.000 1.208 461 P CA -0.004 63.085 63.100 -0.018 0.000 0.777 461 P CB 0.575 32.285 31.700 0.016 0.000 0.875 462 A N 1.889 124.632 122.820 -0.128 0.000 3.118 462 A HA 0.350 4.671 4.320 0.001 0.000 0.256 462 A C -0.156 177.418 177.584 -0.017 0.000 1.667 462 A CA -0.099 51.752 52.037 -0.310 0.000 1.338 462 A CB -1.319 17.410 19.000 -0.451 0.000 1.127 462 A HN 0.610 nan 8.150 nan 0.000 0.634 463 D N -1.616 118.900 120.400 0.193 0.000 2.652 463 D HA 0.327 4.967 4.640 0.001 0.000 0.285 463 D C 0.778 177.256 176.300 0.297 0.000 1.173 463 D CA -0.794 53.388 54.000 0.304 0.000 0.981 463 D CB 0.107 40.995 40.800 0.147 0.000 1.440 463 D HN -0.056 nan 8.370 nan 0.000 0.485 464 L N -0.181 121.147 121.223 0.175 0.000 2.081 464 L HA -0.153 4.188 4.340 0.001 0.000 0.212 464 L C 2.422 179.368 176.870 0.127 0.000 1.080 464 L CA 1.937 56.848 54.840 0.119 0.000 0.754 464 L CB -0.818 41.275 42.059 0.057 0.000 0.893 464 L HN 0.628 nan 8.230 nan 0.000 0.433 465 A N 0.465 123.350 122.820 0.108 0.000 1.902 465 A HA -0.101 4.219 4.320 0.001 0.000 0.217 465 A C 2.428 180.087 177.584 0.125 0.000 1.181 465 A CA 1.709 53.804 52.037 0.096 0.000 0.623 465 A CB -1.123 17.919 19.000 0.071 0.000 0.818 465 A HN 0.441 nan 8.150 nan 0.000 0.443 466 G N -0.685 108.199 108.800 0.140 0.000 2.408 466 G HA2 0.069 4.029 3.960 0.001 0.000 0.217 466 G HA3 0.069 4.029 3.960 0.001 0.000 0.217 466 G C 1.699 176.729 174.900 0.216 0.000 1.150 466 G CA 1.266 46.455 45.100 0.149 0.000 0.776 466 G HN 0.760 nan 8.290 nan 0.000 0.542 467 A N 0.570 123.543 122.820 0.254 0.000 1.930 467 A HA 0.138 4.458 4.320 0.001 0.000 0.217 467 A C 2.408 180.173 177.584 0.302 0.000 1.175 467 A CA 1.089 53.305 52.037 0.299 0.000 0.627 467 A CB -0.358 18.799 19.000 0.260 0.000 0.815 467 A HN 0.347 nan 8.150 nan 0.000 0.443 468 L N -1.831 119.527 121.223 0.225 0.000 2.046 468 L HA -0.186 4.155 4.340 0.001 0.000 0.208 468 L C 2.726 179.723 176.870 0.212 0.000 1.077 468 L CA 1.566 56.527 54.840 0.202 0.000 0.747 468 L CB -0.388 41.754 42.059 0.138 0.000 0.896 468 L HN 0.385 nan 8.230 nan 0.000 0.432 469 M N -1.070 118.650 119.600 0.200 0.000 2.175 469 M HA -0.222 4.259 4.480 0.001 0.000 0.264 469 M C 2.119 178.543 176.300 0.208 0.000 1.063 469 M CA 1.628 57.035 55.300 0.178 0.000 1.119 469 M CB -0.636 32.054 32.600 0.149 0.000 1.377 469 M HN 0.187 nan 8.290 nan 0.000 0.415 470 Y N -0.326 120.050 120.300 0.127 0.000 2.352 470 Y HA -0.065 4.485 4.550 0.001 0.000 0.292 470 Y C 1.339 177.329 175.900 0.150 0.000 1.136 470 Y CA 1.518 59.693 58.100 0.125 0.000 1.227 470 Y CB -0.162 38.378 38.460 0.134 0.000 0.991 470 Y HN 0.222 nan 8.280 nan 0.000 0.545 471 M N -0.925 118.807 119.600 0.221 0.000 2.419 471 M HA 0.119 4.600 4.480 0.001 0.000 0.252 471 M C 0.659 177.109 176.300 0.249 0.000 1.143 471 M CA 0.462 55.886 55.300 0.206 0.000 0.985 471 M CB 0.340 33.138 32.600 0.331 0.000 1.489 471 M HN 0.079 nan 8.290 nan 0.000 0.484 472 S N 0.833 116.642 115.700 0.183 0.000 3.476 472 S HA -0.128 4.342 4.470 0.001 0.000 0.309 472 S C 0.088 174.914 174.600 0.377 0.000 1.222 472 S CA 0.515 58.842 58.200 0.212 0.000 0.922 472 S CB -2.028 61.231 63.200 0.098 0.000 1.023 472 S HN 0.527 nan 8.310 nan 0.000 0.591 473 L N 1.104 122.516 121.223 0.315 0.000 2.312 473 L HA 0.585 4.926 4.340 0.001 0.000 0.281 473 L C 0.599 177.563 176.870 0.157 0.000 1.070 473 L CA 0.010 54.996 54.840 0.244 0.000 0.805 473 L CB 1.014 43.167 42.059 0.157 0.000 1.174 473 L HN 0.229 nan 8.230 nan 0.000 0.434 474 E N 2.658 122.929 120.200 0.118 0.000 2.429 474 E HA 0.392 4.742 4.350 0.001 0.000 0.276 474 E C -2.585 174.038 176.600 0.039 0.000 0.953 474 E CA -2.087 54.362 56.400 0.081 0.000 0.787 474 E CB 2.239 31.997 29.700 0.097 0.000 1.307 474 E HN 0.285 nan 8.360 nan 0.000 0.458 475 P HA 0.015 nan 4.420 nan 0.000 0.265 475 P C 0.423 177.729 177.300 0.010 0.000 1.193 475 P CA 1.184 64.286 63.100 0.003 0.000 0.765 475 P CB 0.490 32.193 31.700 0.006 0.000 0.823 476 G N 1.457 110.251 108.800 -0.010 0.000 2.491 476 G HA2 -0.237 3.724 3.960 0.001 0.000 0.203 476 G HA3 -0.237 3.724 3.960 0.001 0.000 0.203 476 G C 0.634 175.518 174.900 -0.027 0.000 1.052 476 G CA 0.321 45.421 45.100 0.000 0.000 0.675 476 G HN 0.602 nan 8.290 nan 0.000 0.504 477 V N -0.652 119.229 119.914 -0.055 0.000 3.612 477 V HA 0.620 4.741 4.120 0.001 0.000 0.268 477 V C 1.234 177.194 176.094 -0.224 0.000 1.365 477 V CA 0.935 63.141 62.300 -0.157 0.000 1.044 477 V CB 0.057 31.736 31.823 -0.239 0.000 0.820 477 V HN 0.324 nan 8.190 nan 0.000 0.444 478 M N 2.648 122.155 119.600 -0.155 0.000 2.252 478 M HA 0.413 4.893 4.480 0.001 0.000 0.348 478 M C 0.924 177.096 176.300 -0.214 0.000 1.334 478 M CA 1.043 56.239 55.300 -0.173 0.000 1.071 478 M CB 0.495 33.034 32.600 -0.102 0.000 1.763 478 M HN 0.441 nan 8.290 nan 0.000 0.452 479 G N 1.725 110.343 108.800 -0.304 0.000 2.476 479 G HA2 0.363 4.324 3.960 0.001 0.000 0.269 479 G HA3 0.363 4.324 3.960 0.001 0.000 0.269 479 G C -1.031 173.694 174.900 -0.291 0.000 1.195 479 G CA -0.262 44.634 45.100 -0.340 0.000 0.843 479 G HN 0.691 nan 8.290 nan 0.000 0.545 480 D N -0.876 119.375 120.400 -0.249 0.000 2.652 480 D HA 0.228 4.869 4.640 0.001 0.000 0.285 480 D C -0.884 175.286 176.300 -0.215 0.000 1.173 480 D CA -0.726 53.138 54.000 -0.227 0.000 0.981 480 D CB 1.981 42.703 40.800 -0.130 0.000 1.440 480 D HN 0.324 nan 8.370 nan 0.000 0.485 481 D N -0.166 120.090 120.400 -0.239 0.000 2.472 481 D HA 0.289 4.929 4.640 0.001 0.000 0.248 481 D C 0.988 177.213 176.300 -0.126 0.000 1.174 481 D CA 0.472 54.390 54.000 -0.136 0.000 0.883 481 D CB 0.922 41.419 40.800 -0.505 0.000 1.149 481 D HN 0.379 nan 8.370 nan 0.000 0.488 482 A N 3.877 126.657 122.820 -0.067 0.000 1.892 482 A HA -0.243 4.077 4.320 0.001 0.000 0.218 482 A C 1.493 178.933 177.584 -0.241 0.000 1.188 482 A CA 1.535 53.467 52.037 -0.174 0.000 0.631 482 A CB -0.612 18.237 19.000 -0.251 0.000 0.822 482 A HN 0.834 nan 8.150 nan 0.000 0.447 483 H N -1.285 117.795 119.070 0.016 0.000 2.538 483 H HA 0.176 4.733 4.556 0.001 0.000 0.286 483 H C -0.044 175.312 175.328 0.045 0.000 1.035 483 H CA 0.412 56.494 56.048 0.056 0.000 1.169 483 H CB 0.199 30.035 29.762 0.124 0.000 1.417 483 H HN 0.452 nan 8.280 nan 0.000 0.567 484 D N 0.011 120.419 120.400 0.013 0.000 2.723 484 D HA -0.293 4.347 4.640 0.001 0.000 0.236 484 D C -0.698 175.647 176.300 0.074 0.000 1.138 484 D CA 0.793 54.777 54.000 -0.027 0.000 0.676 484 D CB -1.332 39.504 40.800 0.058 0.000 1.069 484 D HN 0.611 nan 8.370 nan 0.000 0.430 485 Y N -3.216 117.188 120.300 0.174 0.000 4.798 485 Y HA -0.316 4.234 4.550 0.001 0.000 0.237 485 Y C 1.636 177.347 175.900 -0.315 0.000 1.017 485 Y CA 1.279 59.280 58.100 -0.166 0.000 2.010 485 Y CB -2.050 36.323 38.460 -0.144 0.000 1.582 485 Y HN 0.245 nan 8.280 nan 0.000 0.621 486 E N 0.795 121.033 120.200 0.063 0.000 2.085 486 E HA -0.189 4.161 4.350 0.001 0.000 0.194 486 E C 1.933 178.543 176.600 0.017 0.000 0.994 486 E CA 2.142 58.577 56.400 0.058 0.000 0.801 486 E CB -0.463 29.320 29.700 0.139 0.000 0.743 486 E HN 0.676 nan 8.360 nan 0.000 0.453 487 W N -0.185 121.158 121.300 0.071 0.000 2.468 487 W HA -0.077 4.583 4.660 0.001 0.000 0.262 487 W C 1.303 177.925 176.519 0.172 0.000 1.241 487 W CA 0.683 58.061 57.345 0.056 0.000 1.232 487 W CB -1.074 28.391 29.460 0.009 0.000 1.124 487 W HN -0.085 nan 8.180 nan 0.000 0.597 488 V N 2.669 122.241 119.914 -0.570 0.000 2.270 488 V HA -0.253 3.867 4.120 0.001 0.000 0.245 488 V C 1.819 177.903 176.094 -0.017 0.000 1.043 488 V CA 2.323 64.376 62.300 -0.412 0.000 1.014 488 V CB -0.995 30.502 31.823 -0.543 0.000 0.645 488 V HN 0.154 nan 8.190 nan 0.000 0.447 489 K N 1.347 121.709 120.400 -0.063 0.000 2.146 489 K HA 0.351 4.671 4.320 0.001 0.000 0.220 489 K C 0.217 176.792 176.600 -0.041 0.000 1.227 489 K CA 0.810 57.080 56.287 -0.029 0.000 1.185 489 K CB -0.026 32.455 32.500 -0.032 0.000 1.333 489 K HN 0.320 nan 8.250 nan 0.000 0.242 490 A N 1.507 124.281 122.820 -0.076 0.000 2.604 490 A HA 0.127 4.447 4.320 0.001 0.000 0.157 490 A C 0.332 177.684 177.584 -0.386 0.000 1.680 490 A CA -0.422 51.468 52.037 -0.245 0.000 1.227 490 A CB -0.004 18.791 19.000 -0.341 0.000 1.493 490 A HN 0.501 nan 8.150 nan 0.000 0.453 491 Y N 0.669 120.981 120.300 0.019 0.000 2.445 491 Y HA 0.462 5.013 4.550 0.001 0.000 0.247 491 Y C 0.724 176.626 175.900 0.002 0.000 1.129 491 Y CA 0.506 58.622 58.100 0.028 0.000 1.251 491 Y CB 0.605 39.094 38.460 0.048 0.000 1.176 491 Y HN 0.350 nan 8.280 nan 0.000 0.522 492 Q N 0.000 119.855 119.800 0.091 0.000 2.315 492 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 492 Q CA 0.000 55.825 55.803 0.037 0.000 1.022 492 Q CB 0.000 28.761 28.738 0.038 0.000 1.108 492 Q HN 0.000 nan 8.270 nan 0.000 0.481