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 2ind_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 LTFAFETGFT 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 ERYKNHTNLV 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 0.005 0.000 1.055 2 S CA 0.000 58.206 58.200 0.010 0.000 1.107 2 S CB 0.000 63.208 63.200 0.014 0.000 0.593 3 M N 1.652 121.263 119.600 0.019 0.000 2.578 3 M HA 0.572 5.053 4.480 0.001 0.000 0.321 3 M C -0.607 175.720 176.300 0.046 0.000 1.182 3 M CA -0.550 54.762 55.300 0.020 0.000 0.965 3 M CB 0.776 33.404 32.600 0.046 0.000 1.694 3 M HN 0.618 nan 8.290 nan 0.000 0.461 4 L N 1.248 122.496 121.223 0.042 0.000 2.453 4 L HA 0.299 4.640 4.340 0.001 0.000 0.261 4 L C 0.569 177.583 176.870 0.239 0.000 1.179 4 L CA -0.513 54.397 54.840 0.116 0.000 0.813 4 L CB 0.366 42.475 42.059 0.084 0.000 1.110 4 L HN 0.553 nan 8.230 nan 0.000 0.466 5 K N 0.845 121.393 120.400 0.246 0.000 2.218 5 K HA 0.169 4.490 4.320 0.001 0.000 0.276 5 K C 0.752 177.550 176.600 0.330 0.000 1.022 5 K CA -0.459 55.964 56.287 0.225 0.000 0.946 5 K CB 1.272 33.856 32.500 0.140 0.000 1.000 5 K HN 0.425 nan 8.250 nan 0.000 0.468 6 R N 2.240 122.877 120.500 0.229 0.000 2.096 6 R HA -0.201 4.139 4.340 0.001 0.000 0.240 6 R C 1.506 177.699 176.300 -0.178 0.000 1.139 6 R CA 1.979 58.071 56.100 -0.013 0.000 0.952 6 R CB 0.046 30.311 30.300 -0.058 0.000 0.854 6 R HN 0.705 nan 8.270 nan 0.000 0.436 7 E N 0.523 120.701 120.200 -0.038 0.000 2.219 7 E HA -0.217 4.133 4.350 0.001 0.000 0.198 7 E C 1.052 177.684 176.600 0.053 0.000 0.998 7 E CA 1.186 57.575 56.400 -0.019 0.000 0.818 7 E CB -0.369 29.329 29.700 -0.003 0.000 0.741 7 E HN 0.489 nan 8.360 nan 0.000 0.477 8 D N 0.024 120.509 120.400 0.142 0.000 2.269 8 D HA -0.089 4.552 4.640 0.001 0.000 0.208 8 D C 1.534 178.016 176.300 0.303 0.000 0.963 8 D CA 1.024 55.153 54.000 0.214 0.000 0.864 8 D CB -0.108 40.843 40.800 0.251 0.000 0.936 8 D HN 0.580 nan 8.370 nan 0.000 0.505 9 W N -1.062 120.305 121.300 0.112 0.000 2.413 9 W HA 0.154 4.815 4.660 0.001 0.000 0.288 9 W C 1.375 177.965 176.519 0.118 0.000 0.958 9 W CA -0.470 56.933 57.345 0.097 0.000 1.333 9 W CB -1.005 28.499 29.460 0.073 0.000 1.002 9 W HN -0.174 nan 8.180 nan 0.000 0.562 10 Y N 3.324 123.336 120.300 -0.480 0.000 2.062 10 Y HA -0.343 4.208 4.550 0.001 0.000 0.276 10 Y C 1.908 177.732 175.900 -0.127 0.000 1.189 10 Y CA 3.064 60.885 58.100 -0.465 0.000 1.130 10 Y CB -0.623 37.610 38.460 -0.377 0.000 0.959 10 Y HN -0.153 nan 8.280 nan 0.000 0.499 11 D N -0.083 120.370 120.400 0.089 0.000 2.172 11 D HA -0.256 4.384 4.640 0.001 0.000 0.196 11 D C 2.175 178.485 176.300 0.016 0.000 0.999 11 D CA 1.880 55.927 54.000 0.077 0.000 0.856 11 D CB -0.472 40.392 40.800 0.107 0.000 0.934 11 D HN 0.410 nan 8.370 nan 0.000 0.453 12 L N 0.245 121.498 121.223 0.051 0.000 2.191 12 L HA -0.137 4.204 4.340 0.001 0.000 0.212 12 L C 2.514 179.402 176.870 0.030 0.000 1.103 12 L CA 1.451 56.335 54.840 0.073 0.000 0.769 12 L CB -0.835 41.311 42.059 0.144 0.000 0.908 12 L HN 0.244 nan 8.230 nan 0.000 0.438 13 T N -1.707 112.812 114.554 -0.058 0.000 2.962 13 T HA -0.196 4.155 4.350 0.001 0.000 0.270 13 T C 1.559 176.205 174.700 -0.090 0.000 1.088 13 T CA 0.895 62.941 62.100 -0.089 0.000 1.127 13 T CB -0.270 68.445 68.868 -0.255 0.000 0.883 13 T HN 0.542 nan 8.240 nan 0.000 0.493 14 R N 0.203 120.648 120.500 -0.092 0.000 2.613 14 R HA 0.281 4.622 4.340 0.001 0.000 0.361 14 R C -0.296 176.028 176.300 0.039 0.000 1.072 14 R CA -0.396 55.695 56.100 -0.014 0.000 1.089 14 R CB -0.193 30.113 30.300 0.011 0.000 1.343 14 R HN 0.092 nan 8.270 nan 0.000 0.571 15 T N 1.721 116.301 114.554 0.043 0.000 3.465 15 T HA 0.091 4.442 4.350 0.001 0.000 0.323 15 T C 0.675 175.427 174.700 0.087 0.000 1.774 15 T CA -0.154 61.987 62.100 0.069 0.000 1.348 15 T CB 0.983 69.890 68.868 0.065 0.000 1.147 15 T HN 0.371 nan 8.240 nan 0.000 0.778 16 T N -2.306 112.315 114.554 0.112 0.000 3.040 16 T HA 0.209 4.560 4.350 0.001 0.000 0.266 16 T C 0.608 175.496 174.700 0.313 0.000 1.005 16 T CA -0.529 61.674 62.100 0.171 0.000 0.906 16 T CB 0.147 69.098 68.868 0.138 0.000 1.082 16 T HN 0.114 nan 8.240 nan 0.000 0.531 17 N N 2.564 121.403 118.700 0.231 0.000 2.508 17 N HA 0.495 5.235 4.740 0.001 0.000 0.264 17 N C -0.693 175.026 175.510 0.349 0.000 1.216 17 N CA -0.380 52.803 53.050 0.221 0.000 0.943 17 N CB 0.560 39.088 38.487 0.068 0.000 1.113 17 N HN 0.743 nan 8.380 nan 0.000 0.447 18 W N -0.644 120.697 121.300 0.069 0.000 3.075 18 W HA 0.483 5.143 4.660 0.001 0.000 0.334 18 W C -1.198 175.363 176.519 0.069 0.000 1.243 18 W CA -0.875 56.505 57.345 0.060 0.000 1.170 18 W CB 0.210 29.704 29.460 0.057 0.000 1.452 18 W HN 0.114 nan 8.180 nan 0.000 0.572 19 T N 4.643 119.299 114.554 0.169 0.000 2.747 19 T HA 0.250 4.601 4.350 0.001 0.000 0.301 19 T C -1.956 172.781 174.700 0.062 0.000 0.952 19 T CA -0.774 61.342 62.100 0.026 0.000 0.983 19 T CB 0.172 69.078 68.868 0.064 0.000 0.930 19 T HN 0.199 nan 8.240 nan 0.000 0.494 20 P HA 0.132 nan 4.420 nan 0.000 0.268 20 P C 0.269 177.572 177.300 0.005 0.000 1.208 20 P CA -0.129 62.975 63.100 0.008 0.000 0.777 20 P CB 1.395 33.045 31.700 -0.082 0.000 0.875 21 K N 0.976 121.350 120.400 -0.043 0.000 2.631 21 K HA 0.065 4.386 4.320 0.001 0.000 0.200 21 K C 1.065 177.417 176.600 -0.413 0.000 1.481 21 K CA -0.002 56.108 56.287 -0.296 0.000 1.087 21 K CB 0.098 32.293 32.500 -0.507 0.000 1.502 21 K HN 0.173 nan 8.250 nan 0.000 0.560 22 Y N 1.202 121.550 120.300 0.081 0.000 2.511 22 Y HA 0.139 4.690 4.550 0.001 0.000 0.279 22 Y C 0.645 176.571 175.900 0.043 0.000 1.157 22 Y CA 0.022 58.156 58.100 0.056 0.000 1.300 22 Y CB 0.730 39.224 38.460 0.057 0.000 1.052 22 Y HN -0.042 nan 8.280 nan 0.000 0.529 23 V N -3.806 116.176 119.914 0.114 0.000 3.188 23 V HA 0.689 4.810 4.120 0.001 0.000 0.305 23 V C -0.182 175.928 176.094 0.026 0.000 1.232 23 V CA -0.863 61.478 62.300 0.068 0.000 1.043 23 V CB 1.483 33.348 31.823 0.070 0.000 1.068 23 V HN 0.021 nan 8.190 nan 0.000 0.439 24 T N -1.900 112.662 114.554 0.015 0.000 2.874 24 T HA 0.427 4.777 4.350 0.001 0.000 0.281 24 T C 0.850 175.557 174.700 0.012 0.000 0.994 24 T CA 0.624 62.728 62.100 0.006 0.000 1.015 24 T CB 1.553 70.425 68.868 0.008 0.000 1.028 24 T HN 1.049 nan 8.240 nan 0.000 0.523 25 E N 0.647 120.860 120.200 0.021 0.000 2.085 25 E HA -0.214 4.136 4.350 0.001 0.000 0.194 25 E C 1.654 178.323 176.600 0.116 0.000 0.994 25 E CA 1.289 57.732 56.400 0.072 0.000 0.801 25 E CB -0.078 29.650 29.700 0.047 0.000 0.743 25 E HN 0.624 nan 8.360 nan 0.000 0.453 26 N N 0.620 119.359 118.700 0.066 0.000 2.309 26 N HA -0.126 4.614 4.740 0.001 0.000 0.182 26 N C 1.397 176.935 175.510 0.046 0.000 1.018 26 N CA 0.936 54.024 53.050 0.062 0.000 0.876 26 N CB -0.057 38.448 38.487 0.031 0.000 0.972 26 N HN 0.349 nan 8.380 nan 0.000 0.434 27 E N 0.258 120.474 120.200 0.026 0.000 2.072 27 E HA -0.091 4.259 4.350 0.001 0.000 0.190 27 E C 1.766 178.356 176.600 -0.017 0.000 0.982 27 E CA 0.442 56.846 56.400 0.007 0.000 0.803 27 E CB -0.061 29.643 29.700 0.006 0.000 0.755 27 E HN 0.101 nan 8.360 nan 0.000 0.453 28 L N -0.147 121.041 121.223 -0.057 0.000 2.093 28 L HA -0.059 4.282 4.340 0.001 0.000 0.208 28 L C 0.350 176.973 176.870 -0.413 0.000 1.085 28 L CA 1.550 56.240 54.840 -0.251 0.000 0.755 28 L CB 0.183 42.045 42.059 -0.328 0.000 0.904 28 L HN -0.051 nan 8.230 nan 0.000 0.435 29 F N 1.406 121.369 119.950 0.022 0.000 2.531 29 F HA 0.383 4.910 4.527 0.001 0.000 0.333 29 F C -2.080 173.728 175.800 0.014 0.000 1.292 29 F CA -2.556 55.487 58.000 0.072 0.000 1.184 29 F CB 0.071 39.059 39.000 -0.020 0.000 1.426 29 F HN -0.038 nan 8.300 nan 0.000 0.559 30 P HA -0.048 nan 4.420 nan 0.000 0.263 30 P C 0.748 178.008 177.300 -0.067 0.000 1.195 30 P CA 0.368 63.454 63.100 -0.023 0.000 0.762 30 P CB 1.392 33.031 31.700 -0.102 0.000 0.799 31 E N 4.236 124.411 120.200 -0.041 0.000 2.114 31 E HA -0.260 4.090 4.350 0.001 0.000 0.199 31 E C 1.725 178.265 176.600 -0.101 0.000 1.008 31 E CA 2.250 58.618 56.400 -0.052 0.000 0.810 31 E CB -0.481 29.200 29.700 -0.031 0.000 0.739 31 E HN 0.653 nan 8.360 nan 0.000 0.456 32 E N -1.000 119.124 120.200 -0.127 0.000 2.265 32 E HA -0.194 4.156 4.350 0.001 0.000 0.196 32 E C 1.516 177.982 176.600 -0.225 0.000 0.996 32 E CA 1.208 57.517 56.400 -0.151 0.000 0.832 32 E CB -0.127 29.488 29.700 -0.141 0.000 0.756 32 E HN 0.284 nan 8.360 nan 0.000 0.491 33 M N 0.165 119.559 119.600 -0.344 0.000 2.653 33 M HA 0.151 4.631 4.480 0.001 0.000 0.259 33 M C 2.160 178.267 176.300 -0.322 0.000 1.244 33 M CA 0.555 55.527 55.300 -0.547 0.000 1.163 33 M CB 0.231 31.990 32.600 -1.401 0.000 1.309 33 M HN 0.124 nan 8.290 nan 0.000 0.509 34 S N 0.039 115.633 115.700 -0.177 0.000 2.404 34 S HA 0.178 4.648 4.470 0.001 0.000 0.223 34 S C 1.346 175.864 174.600 -0.138 0.000 1.040 34 S CA 1.120 59.292 58.200 -0.047 0.000 0.957 34 S CB -0.265 62.971 63.200 0.059 0.000 0.826 34 S HN 0.652 nan 8.310 nan 0.000 0.491 35 G N 1.037 109.771 108.800 -0.109 0.000 2.323 35 G HA2 -0.200 3.760 3.960 0.001 0.000 0.292 35 G HA3 -0.200 3.760 3.960 0.001 0.000 0.292 35 G C 0.670 175.518 174.900 -0.087 0.000 1.040 35 G CA 0.527 45.578 45.100 -0.081 0.000 0.942 35 G HN 0.896 nan 8.290 nan 0.000 0.506 36 A N -0.013 122.754 122.820 -0.088 0.000 2.066 36 A HA 0.339 4.660 4.320 0.001 0.000 0.218 36 A C 1.814 179.584 177.584 0.311 0.000 1.157 36 A CA 1.471 53.516 52.037 0.015 0.000 0.670 36 A CB -0.201 18.783 19.000 -0.027 0.000 0.804 36 A HN 1.371 nan 8.150 nan 0.000 0.453 37 R N -2.266 118.324 120.500 0.150 0.000 3.333 37 R HA -0.233 4.108 4.340 0.001 0.000 0.256 37 R C 1.081 177.453 176.300 0.120 0.000 1.010 37 R CA 0.386 56.564 56.100 0.130 0.000 0.680 37 R CB -2.402 27.987 30.300 0.148 0.000 1.102 37 R HN 1.535 nan 8.270 nan 0.000 0.440 38 G N -0.790 108.072 108.800 0.103 0.000 2.284 38 G HA2 -0.335 3.626 3.960 0.001 0.000 0.261 38 G HA3 -0.335 3.626 3.960 0.001 0.000 0.261 38 G C 0.394 175.339 174.900 0.074 0.000 0.997 38 G CA 0.266 45.408 45.100 0.069 0.000 0.621 38 G HN 0.344 nan 8.290 nan 0.000 0.534 39 I N 2.751 123.401 120.570 0.133 0.000 2.556 39 I HA 0.297 4.468 4.170 0.001 0.000 0.284 39 I C 1.557 177.740 176.117 0.110 0.000 1.114 39 I CA 0.100 61.412 61.300 0.020 0.000 1.418 39 I CB 0.506 38.364 38.000 -0.235 0.000 1.394 39 I HN 0.513 nan 8.210 nan 0.000 0.552 40 S N 5.941 121.644 115.700 0.004 0.000 2.584 40 S HA 0.093 4.563 4.470 0.001 0.000 0.270 40 S C 1.153 175.822 174.600 0.115 0.000 1.346 40 S CA -0.482 57.743 58.200 0.042 0.000 1.018 40 S CB 0.982 64.177 63.200 -0.009 0.000 0.899 40 S HN 0.734 nan 8.310 nan 0.000 0.542 41 M N 0.509 120.152 119.600 0.073 0.000 2.117 41 M HA -0.129 4.351 4.480 0.001 0.000 0.262 41 M C 2.233 178.572 176.300 0.065 0.000 1.065 41 M CA 2.088 57.419 55.300 0.052 0.000 1.114 41 M CB -0.433 32.128 32.600 -0.064 0.000 1.361 41 M HN 1.015 nan 8.290 nan 0.000 0.408 42 E N -0.117 120.098 120.200 0.026 0.000 2.110 42 E HA -0.208 4.143 4.350 0.001 0.000 0.193 42 E C 1.746 178.347 176.600 0.002 0.000 0.988 42 E CA 1.353 57.763 56.400 0.017 0.000 0.804 42 E CB -0.074 29.627 29.700 0.002 0.000 0.745 42 E HN 0.639 nan 8.360 nan 0.000 0.458 43 A N 0.016 122.808 122.820 -0.045 0.000 1.929 43 A HA -0.135 4.185 4.320 0.001 0.000 0.216 43 A C 1.701 179.178 177.584 -0.178 0.000 1.176 43 A CA 0.944 52.894 52.037 -0.145 0.000 0.628 43 A CB -0.975 17.878 19.000 -0.245 0.000 0.816 43 A HN 0.506 nan 8.150 nan 0.000 0.444 44 W N 0.198 121.483 121.300 -0.024 0.000 2.519 44 W HA 0.004 4.664 4.660 0.001 0.000 0.266 44 W C 1.957 178.494 176.519 0.030 0.000 1.253 44 W CA 0.955 58.295 57.345 -0.009 0.000 1.274 44 W CB 0.082 29.495 29.460 -0.079 0.000 1.114 44 W HN 0.413 nan 8.180 nan 0.000 0.596 45 E N 0.169 120.486 120.200 0.195 0.000 2.409 45 E HA -0.148 4.202 4.350 0.001 0.000 0.198 45 E C 1.666 178.353 176.600 0.145 0.000 1.024 45 E CA 0.677 57.168 56.400 0.152 0.000 0.861 45 E CB -0.075 29.681 29.700 0.093 0.000 0.788 45 E HN 0.266 nan 8.360 nan 0.000 0.521 46 K N 0.162 120.626 120.400 0.107 0.000 2.486 46 K HA -0.056 4.264 4.320 0.001 0.000 0.194 46 K C 0.109 176.775 176.600 0.109 0.000 1.033 46 K CA -0.081 56.246 56.287 0.067 0.000 1.004 46 K CB 0.006 32.502 32.500 -0.008 0.000 0.798 46 K HN 0.158 nan 8.250 nan 0.000 0.495 47 Y N 2.234 122.577 120.300 0.072 0.000 2.805 47 Y HA -0.146 4.405 4.550 0.001 0.000 0.331 47 Y C -0.371 175.576 175.900 0.078 0.000 1.241 47 Y CA 0.271 58.432 58.100 0.101 0.000 1.546 47 Y CB 0.309 38.877 38.460 0.179 0.000 1.248 47 Y HN -0.026 nan 8.280 nan 0.000 0.559 48 D N 6.089 126.383 120.400 -0.176 0.000 2.402 48 D HA 0.082 4.723 4.640 0.001 0.000 0.252 48 D C -1.217 174.976 176.300 -0.179 0.000 1.294 48 D CA -0.673 53.292 54.000 -0.057 0.000 0.948 48 D CB 0.523 41.296 40.800 -0.044 0.000 1.202 48 D HN 0.596 nan 8.370 nan 0.000 0.561 49 E N 4.242 124.428 120.200 -0.023 0.000 2.452 49 E HA 0.039 4.390 4.350 0.001 0.000 0.261 49 E C -1.764 174.758 176.600 -0.130 0.000 0.987 49 E CA -0.958 55.421 56.400 -0.035 0.000 0.926 49 E CB 1.294 31.105 29.700 0.187 0.000 0.934 49 E HN 0.294 nan 8.360 nan 0.000 0.452 50 P HA -0.086 nan 4.420 nan 0.000 0.221 50 P C -0.399 176.678 177.300 -0.372 0.000 1.155 50 P CA 0.911 63.754 63.100 -0.428 0.000 0.812 50 P CB 0.112 31.388 31.700 -0.707 0.000 0.801 51 Y N 1.014 121.309 120.300 -0.009 0.000 2.478 51 Y HA 0.409 4.960 4.550 0.001 0.000 0.329 51 Y C 0.823 176.709 175.900 -0.022 0.000 0.967 51 Y CA -1.425 56.662 58.100 -0.023 0.000 1.255 51 Y CB 0.719 39.182 38.460 0.006 0.000 1.103 51 Y HN -0.239 nan 8.280 nan 0.000 0.497 52 K N 3.716 124.121 120.400 0.008 0.000 2.098 52 K HA 0.767 5.088 4.320 0.001 0.000 0.261 52 K C -0.931 175.639 176.600 -0.050 0.000 0.987 52 K CA -0.781 55.432 56.287 -0.123 0.000 0.916 52 K CB 2.100 34.171 32.500 -0.714 0.000 1.039 52 K HN 0.656 nan 8.250 nan 0.000 0.455 53 I N 0.633 121.256 120.570 0.088 0.000 2.785 53 I HA 0.145 4.315 4.170 0.001 0.000 0.293 53 I C -1.045 175.139 176.117 0.111 0.000 1.446 53 I CA -0.316 60.986 61.300 0.003 0.000 1.028 53 I CB 2.338 40.227 38.000 -0.185 0.000 1.349 53 I HN 0.824 nan 8.210 nan 0.000 0.438 54 T N 2.274 116.906 114.554 0.128 0.000 2.952 54 T HA 0.300 4.651 4.350 0.001 0.000 0.286 54 T C 0.789 175.700 174.700 0.352 0.000 1.024 54 T CA -0.261 62.015 62.100 0.294 0.000 1.029 54 T CB 1.316 70.372 68.868 0.313 0.000 1.094 54 T HN 0.639 nan 8.240 nan 0.000 0.515 55 Y N 2.714 123.301 120.300 0.478 0.000 2.081 55 Y HA -0.053 4.498 4.550 0.001 0.000 0.280 55 Y C -0.667 175.436 175.900 0.339 0.000 1.163 55 Y CA 2.259 60.647 58.100 0.480 0.000 1.135 55 Y CB -1.297 37.369 38.460 0.342 0.000 0.970 55 Y HN 0.539 nan 8.280 nan 0.000 0.498 56 P HA -0.189 nan 4.420 nan 0.000 0.215 56 P C 0.861 178.242 177.300 0.134 0.000 1.153 56 P CA 2.229 65.494 63.100 0.274 0.000 0.853 56 P CB -0.090 31.793 31.700 0.305 0.000 0.788 57 E N -1.063 119.221 120.200 0.140 0.000 2.051 57 E HA -0.209 4.142 4.350 0.001 0.000 0.192 57 E C 2.291 178.882 176.600 -0.015 0.000 0.991 57 E CA 0.906 57.340 56.400 0.057 0.000 0.799 57 E CB -0.757 28.973 29.700 0.050 0.000 0.748 57 E HN 0.245 nan 8.360 nan 0.000 0.449 58 Y N 1.875 122.077 120.300 -0.163 0.000 2.049 58 Y HA -0.299 4.251 4.550 0.001 0.000 0.277 58 Y C 2.482 178.288 175.900 -0.157 0.000 1.143 58 Y CA 1.987 59.955 58.100 -0.220 0.000 1.115 58 Y CB -0.474 37.792 38.460 -0.323 0.000 0.975 58 Y HN -0.018 nan 8.280 nan 0.000 0.487 59 V N -2.016 117.873 119.914 -0.042 0.000 2.568 59 V HA -0.229 3.891 4.120 0.001 0.000 0.253 59 V C 2.241 178.279 176.094 -0.092 0.000 1.072 59 V CA 2.254 64.502 62.300 -0.087 0.000 1.084 59 V CB -1.318 30.421 31.823 -0.140 0.000 0.676 59 V HN 0.485 nan 8.190 nan 0.000 0.469 60 S N 0.378 116.035 115.700 -0.072 0.000 2.345 60 S HA -0.020 4.450 4.470 0.001 0.000 0.219 60 S C 1.876 176.426 174.600 -0.082 0.000 1.031 60 S CA 1.608 59.780 58.200 -0.047 0.000 0.984 60 S CB -0.466 62.727 63.200 -0.011 0.000 0.874 60 S HN 0.634 nan 8.310 nan 0.000 0.451 61 I N 1.497 121.992 120.570 -0.125 0.000 2.179 61 I HA -0.150 4.021 4.170 0.001 0.000 0.242 61 I C 2.624 178.635 176.117 -0.177 0.000 1.088 61 I CA 1.022 62.237 61.300 -0.141 0.000 1.357 61 I CB -0.347 37.554 38.000 -0.164 0.000 1.051 61 I HN 0.317 nan 8.210 nan 0.000 0.409 62 Q N 0.351 119.971 119.800 -0.301 0.000 2.291 62 Q HA -0.168 4.172 4.340 0.001 0.000 0.205 62 Q C 2.101 178.027 176.000 -0.122 0.000 0.970 62 Q CA 1.005 56.643 55.803 -0.275 0.000 0.876 62 Q CB -0.469 27.966 28.738 -0.506 0.000 0.935 62 Q HN 0.527 nan 8.270 nan 0.000 0.455 63 R N 0.850 121.290 120.500 -0.100 0.000 2.066 63 R HA -0.112 4.228 4.340 0.001 0.000 0.232 63 R C 1.568 177.853 176.300 -0.024 0.000 1.131 63 R CA 1.081 57.153 56.100 -0.047 0.000 0.955 63 R CB 0.184 30.462 30.300 -0.036 0.000 0.851 63 R HN 0.032 nan 8.270 nan 0.000 0.432 64 E N 0.979 121.161 120.200 -0.029 0.000 2.150 64 E HA -0.140 4.210 4.350 0.001 0.000 0.193 64 E C 1.857 178.464 176.600 0.012 0.000 0.985 64 E CA 1.030 57.426 56.400 -0.007 0.000 0.814 64 E CB -0.007 29.684 29.700 -0.015 0.000 0.752 64 E HN 0.417 nan 8.360 nan 0.000 0.466 65 K N 0.668 121.067 120.400 -0.001 0.000 2.032 65 K HA -0.146 4.174 4.320 0.001 0.000 0.209 65 K C 1.758 178.414 176.600 0.093 0.000 1.048 65 K CA 1.344 57.647 56.287 0.026 0.000 0.927 65 K CB -0.014 32.489 32.500 0.004 0.000 0.712 65 K HN 0.014 nan 8.250 nan 0.000 0.441 66 D N 0.197 120.670 120.400 0.121 0.000 2.149 66 D HA -0.053 4.588 4.640 0.001 0.000 0.201 66 D C 1.962 178.424 176.300 0.269 0.000 0.972 66 D CA 0.807 54.968 54.000 0.268 0.000 0.835 66 D CB -0.051 40.856 40.800 0.178 0.000 0.966 66 D HN -0.027 nan 8.370 nan 0.000 0.476 67 S N -0.013 115.759 115.700 0.120 0.000 2.365 67 S HA -0.142 4.329 4.470 0.001 0.000 0.225 67 S C 1.994 176.676 174.600 0.137 0.000 1.039 67 S CA 1.439 59.698 58.200 0.097 0.000 1.033 67 S CB -0.506 62.721 63.200 0.045 0.000 0.887 67 S HN 0.418 nan 8.310 nan 0.000 0.447 68 G N 1.006 109.878 108.800 0.119 0.000 2.414 68 G HA2 0.013 3.973 3.960 0.001 0.000 0.215 68 G HA3 0.013 3.973 3.960 0.001 0.000 0.215 68 G C 1.607 176.596 174.900 0.147 0.000 1.188 68 G CA 0.858 46.022 45.100 0.106 0.000 0.783 68 G HN 0.575 nan 8.290 nan 0.000 0.537 69 A N 0.191 123.118 122.820 0.177 0.000 1.883 69 A HA -0.046 4.275 4.320 0.001 0.000 0.217 69 A C 2.257 180.009 177.584 0.280 0.000 1.186 69 A CA 1.662 53.817 52.037 0.197 0.000 0.624 69 A CB -0.781 18.291 19.000 0.120 0.000 0.822 69 A HN 0.437 nan 8.150 nan 0.000 0.444 70 Y N 0.057 120.507 120.300 0.250 0.000 2.352 70 Y HA -0.110 4.440 4.550 0.001 0.000 0.292 70 Y C 3.019 178.986 175.900 0.112 0.000 1.136 70 Y CA 1.362 59.583 58.100 0.202 0.000 1.227 70 Y CB -0.114 38.418 38.460 0.120 0.000 0.991 70 Y HN 0.277 nan 8.280 nan 0.000 0.545 71 S N -0.318 115.522 115.700 0.233 0.000 2.387 71 S HA -0.108 4.363 4.470 0.001 0.000 0.226 71 S C 1.916 176.577 174.600 0.102 0.000 1.026 71 S CA 0.823 59.106 58.200 0.138 0.000 0.972 71 S CB -0.194 63.068 63.200 0.104 0.000 0.814 71 S HN 0.263 nan 8.310 nan 0.000 0.477 72 I N 2.036 122.673 120.570 0.111 0.000 2.142 72 I HA -0.148 4.022 4.170 0.001 0.000 0.240 72 I C 2.405 178.565 176.117 0.072 0.000 1.078 72 I CA 1.424 62.779 61.300 0.091 0.000 1.343 72 I CB -1.258 36.810 38.000 0.115 0.000 1.046 72 I HN 0.315 nan 8.210 nan 0.000 0.405 73 K N 1.300 121.733 120.400 0.054 0.000 2.044 73 K HA -0.204 4.116 4.320 0.001 0.000 0.210 73 K C 2.130 178.693 176.600 -0.061 0.000 1.049 73 K CA 1.987 58.221 56.287 -0.087 0.000 0.927 73 K CB -0.065 32.158 32.500 -0.463 0.000 0.713 73 K HN 0.267 nan 8.250 nan 0.000 0.443 74 A N 0.616 123.436 122.820 0.001 0.000 1.968 74 A HA 0.013 4.333 4.320 0.001 0.000 0.217 74 A C 2.236 179.833 177.584 0.022 0.000 1.169 74 A CA 1.517 53.567 52.037 0.021 0.000 0.638 74 A CB -0.554 18.486 19.000 0.066 0.000 0.812 74 A HN 0.496 nan 8.150 nan 0.000 0.446 75 A N -0.466 122.372 122.820 0.031 0.000 2.014 75 A HA 0.138 4.459 4.320 0.001 0.000 0.218 75 A C 1.858 179.458 177.584 0.028 0.000 1.163 75 A CA 1.257 53.312 52.037 0.029 0.000 0.652 75 A CB -0.339 18.679 19.000 0.031 0.000 0.808 75 A HN 0.463 nan 8.150 nan 0.000 0.449 76 L N -1.352 119.890 121.223 0.031 0.000 2.640 76 L HA 0.112 4.453 4.340 0.001 0.000 0.230 76 L C 1.983 178.874 176.870 0.035 0.000 1.123 76 L CA 0.442 55.309 54.840 0.044 0.000 0.900 76 L CB -0.179 41.920 42.059 0.067 0.000 1.146 76 L HN 0.364 nan 8.230 nan 0.000 0.484 77 E N 1.897 122.099 120.200 0.003 0.000 2.045 77 E HA -0.264 4.087 4.350 0.001 0.000 0.212 77 E C 2.066 178.659 176.600 -0.012 0.000 1.039 77 E CA 1.929 58.314 56.400 -0.025 0.000 0.860 77 E CB 0.014 29.688 29.700 -0.043 0.000 0.776 77 E HN 0.248 nan 8.360 nan 0.000 0.467 78 R N 0.092 120.590 120.500 -0.003 0.000 2.339 78 R HA -0.072 4.269 4.340 0.001 0.000 0.199 78 R C 1.431 177.742 176.300 0.018 0.000 1.018 78 R CA 0.913 57.013 56.100 -0.000 0.000 1.036 78 R CB -0.203 30.097 30.300 0.001 0.000 0.899 78 R HN 0.327 nan 8.270 nan 0.000 0.473 79 D N 0.246 120.669 120.400 0.039 0.000 2.269 79 D HA -0.062 4.579 4.640 0.001 0.000 0.208 79 D C 0.959 177.308 176.300 0.081 0.000 0.963 79 D CA 1.052 55.092 54.000 0.066 0.000 0.864 79 D CB 0.015 40.870 40.800 0.092 0.000 0.936 79 D HN 0.252 nan 8.370 nan 0.000 0.505 80 G N 0.258 109.098 108.800 0.067 0.000 2.356 80 G HA2 -0.365 3.596 3.960 0.001 0.000 0.296 80 G HA3 -0.365 3.596 3.960 0.001 0.000 0.296 80 G C 0.606 175.561 174.900 0.092 0.000 1.022 80 G CA 0.492 45.623 45.100 0.053 0.000 0.961 80 G HN 0.432 nan 8.290 nan 0.000 0.510 81 F N 0.197 120.165 119.950 0.030 0.000 2.120 81 F HA -0.132 4.396 4.527 0.001 0.000 0.300 81 F C 2.398 178.243 175.800 0.074 0.000 1.095 81 F CA 2.315 60.345 58.000 0.050 0.000 1.249 81 F CB -0.357 38.679 39.000 0.060 0.000 0.995 81 F HN 0.263 nan 8.300 nan 0.000 0.480 82 V N 0.755 120.667 119.914 -0.004 0.000 2.660 82 V HA -0.303 3.817 4.120 0.001 0.000 0.257 82 V C 1.744 177.764 176.094 -0.124 0.000 1.088 82 V CA 2.682 64.948 62.300 -0.058 0.000 1.106 82 V CB -0.674 31.177 31.823 0.046 0.000 0.686 82 V HN 0.422 nan 8.190 nan 0.000 0.481 83 D N 0.079 120.409 120.400 -0.117 0.000 2.277 83 D HA -0.058 4.583 4.640 0.001 0.000 0.208 83 D C 2.063 178.290 176.300 -0.122 0.000 0.962 83 D CA 1.194 55.145 54.000 -0.081 0.000 0.865 83 D CB -0.013 40.761 40.800 -0.044 0.000 0.939 83 D HN 0.713 nan 8.370 nan 0.000 0.510 84 R N 0.028 120.392 120.500 -0.226 0.000 2.437 84 R HA 0.494 4.835 4.340 0.001 0.000 0.257 84 R C 0.654 176.766 176.300 -0.314 0.000 0.927 84 R CA -0.283 55.697 56.100 -0.201 0.000 1.078 84 R CB 0.478 30.704 30.300 -0.123 0.000 1.161 84 R HN -0.143 nan 8.270 nan 0.000 0.529 85 A N 1.667 124.162 122.820 -0.542 0.000 2.366 85 A HA 0.061 4.381 4.320 0.001 0.000 0.249 85 A C -0.262 177.254 177.584 -0.113 0.000 1.084 85 A CA -0.294 51.442 52.037 -0.503 0.000 0.794 85 A CB 0.250 18.913 19.000 -0.563 0.000 1.034 85 A HN 0.380 nan 8.150 nan 0.000 0.491 86 D N 1.325 121.741 120.400 0.027 0.000 2.425 86 D HA 0.093 4.733 4.640 0.001 0.000 0.247 86 D C -1.592 174.746 176.300 0.063 0.000 1.147 86 D CA -1.229 52.821 54.000 0.084 0.000 0.879 86 D CB 1.003 41.895 40.800 0.153 0.000 1.179 86 D HN 0.108 nan 8.370 nan 0.000 0.456 87 P HA -0.094 nan 4.420 nan 0.000 0.217 87 P C 1.221 178.455 177.300 -0.110 0.000 1.148 87 P CA 1.241 64.233 63.100 -0.180 0.000 0.828 87 P CB 0.129 31.570 31.700 -0.433 0.000 0.783 88 G N -1.369 107.413 108.800 -0.030 0.000 2.418 88 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 88 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 88 G C 1.509 176.528 174.900 0.198 0.000 1.158 88 G CA 0.255 45.434 45.100 0.131 0.000 0.771 88 G HN 0.302 nan 8.290 nan 0.000 0.545 89 W N 1.011 122.312 121.300 0.003 0.000 2.378 89 W HA -0.147 4.514 4.660 0.001 0.000 0.313 89 W C 2.250 178.733 176.519 -0.060 0.000 1.197 89 W CA 1.408 58.728 57.345 -0.042 0.000 1.304 89 W CB -0.313 29.140 29.460 -0.013 0.000 1.148 89 W HN 0.097 nan 8.180 nan 0.000 0.494 90 V N 1.323 121.168 119.914 -0.116 0.000 2.282 90 V HA -0.379 3.741 4.120 0.001 0.000 0.249 90 V C 2.432 178.368 176.094 -0.262 0.000 1.057 90 V CA 2.477 64.683 62.300 -0.157 0.000 1.032 90 V CB -1.399 30.431 31.823 0.012 0.000 0.645 90 V HN 0.164 nan 8.190 nan 0.000 0.447 91 S N -0.624 114.982 115.700 -0.157 0.000 2.382 91 S HA -0.198 4.272 4.470 0.001 0.000 0.228 91 S C 2.061 176.477 174.600 -0.306 0.000 1.027 91 S CA 1.835 59.974 58.200 -0.101 0.000 0.991 91 S CB -0.425 62.865 63.200 0.150 0.000 0.823 91 S HN 0.710 nan 8.310 nan 0.000 0.469 92 T N 2.542 116.864 114.554 -0.386 0.000 2.720 92 T HA -0.039 4.312 4.350 0.001 0.000 0.268 92 T C 1.804 176.048 174.700 -0.762 0.000 1.037 92 T CA 1.257 62.985 62.100 -0.621 0.000 1.144 92 T CB -0.299 68.175 68.868 -0.655 0.000 0.864 92 T HN 0.353 nan 8.240 nan 0.000 0.444 93 M N 0.706 119.762 119.600 -0.906 0.000 2.132 93 M HA -0.093 4.387 4.480 0.001 0.000 0.263 93 M C 2.567 178.701 176.300 -0.276 0.000 1.065 93 M CA 1.533 56.388 55.300 -0.741 0.000 1.122 93 M CB -0.475 31.768 32.600 -0.595 0.000 1.365 93 M HN 0.268 nan 8.290 nan 0.000 0.411 94 Q N 0.207 119.808 119.800 -0.330 0.000 2.124 94 Q HA -0.192 4.149 4.340 0.001 0.000 0.202 94 Q C 2.079 178.159 176.000 0.133 0.000 0.977 94 Q CA 1.194 56.882 55.803 -0.191 0.000 0.850 94 Q CB -0.325 28.189 28.738 -0.373 0.000 0.901 94 Q HN 0.371 nan 8.270 nan 0.000 0.429 95 L N -0.015 121.052 121.223 -0.260 0.000 2.027 95 L HA -0.179 4.162 4.340 0.001 0.000 0.206 95 L C 2.255 179.030 176.870 -0.159 0.000 1.074 95 L CA 2.217 56.735 54.840 -0.536 0.000 0.745 95 L CB -0.857 40.339 42.059 -1.437 0.000 0.898 95 L HN 0.208 nan 8.230 nan 0.000 0.433 96 H N -0.910 117.968 119.070 -0.320 0.000 2.267 96 H HA -0.217 4.339 4.556 0.001 0.000 0.297 96 H C 1.889 177.193 175.328 -0.041 0.000 1.080 96 H CA 2.666 58.567 56.048 -0.245 0.000 1.278 96 H CB -0.486 29.024 29.762 -0.420 0.000 1.365 96 H HN 0.331 nan 8.280 nan 0.000 0.489 97 F N 0.247 120.257 119.950 0.100 0.000 2.069 97 F HA -0.051 4.477 4.527 0.001 0.000 0.298 97 F C 2.914 178.756 175.800 0.070 0.000 1.113 97 F CA 1.527 59.586 58.000 0.098 0.000 1.214 97 F CB -1.140 38.030 39.000 0.283 0.000 0.978 97 F HN 0.375 nan 8.300 nan 0.000 0.474 98 G N -0.775 108.237 108.800 0.353 0.000 2.418 98 G HA2 -0.165 3.796 3.960 0.001 0.000 0.217 98 G HA3 -0.165 3.796 3.960 0.001 0.000 0.217 98 G C 1.834 176.807 174.900 0.121 0.000 1.158 98 G CA 0.893 46.058 45.100 0.108 0.000 0.771 98 G HN 0.485 nan 8.290 nan 0.000 0.545 99 A N -0.497 122.519 122.820 0.327 0.000 2.016 99 A HA 0.315 4.636 4.320 0.001 0.000 0.217 99 A C 2.105 179.768 177.584 0.133 0.000 1.162 99 A CA 1.084 53.282 52.037 0.269 0.000 0.662 99 A CB -0.047 19.099 19.000 0.242 0.000 0.812 99 A HN 0.316 nan 8.150 nan 0.000 0.450 100 I N -1.987 118.601 120.570 0.030 0.000 4.244 100 I HA 0.236 4.407 4.170 0.001 0.000 0.318 100 I C 2.429 178.542 176.117 -0.008 0.000 1.282 100 I CA 0.506 61.799 61.300 -0.011 0.000 1.276 100 I CB -0.135 37.825 38.000 -0.066 0.000 1.183 100 I HN 0.195 nan 8.210 nan 0.000 0.431 101 A N 0.633 123.484 122.820 0.050 0.000 1.869 101 A HA -0.240 4.080 4.320 0.001 0.000 0.218 101 A C 2.077 179.678 177.584 0.028 0.000 1.203 101 A CA 2.088 54.184 52.037 0.097 0.000 0.638 101 A CB -1.002 18.081 19.000 0.137 0.000 0.831 101 A HN 0.324 nan 8.150 nan 0.000 0.450 102 L N -0.417 120.768 121.223 -0.064 0.000 2.313 102 L HA -0.031 4.310 4.340 0.001 0.000 0.214 102 L C 2.280 179.094 176.870 -0.093 0.000 1.119 102 L CA 1.253 56.036 54.840 -0.094 0.000 0.809 102 L CB -0.406 41.507 42.059 -0.243 0.000 0.933 102 L HN 0.347 nan 8.230 nan 0.000 0.449 103 E N -0.407 119.676 120.200 -0.196 0.000 2.158 103 E HA -0.125 4.226 4.350 0.001 0.000 0.191 103 E C 1.940 178.357 176.600 -0.306 0.000 0.982 103 E CA 0.448 56.581 56.400 -0.446 0.000 0.823 103 E CB 0.095 29.196 29.700 -0.997 0.000 0.766 103 E HN 0.475 nan 8.360 nan 0.000 0.468 104 E N 0.350 120.491 120.200 -0.098 0.000 2.051 104 E HA -0.192 4.159 4.350 0.001 0.000 0.192 104 E C 2.005 178.640 176.600 0.059 0.000 0.991 104 E CA 0.824 57.257 56.400 0.055 0.000 0.799 104 E CB -0.400 29.415 29.700 0.191 0.000 0.748 104 E HN 0.316 nan 8.360 nan 0.000 0.449 105 Y N 1.269 121.547 120.300 -0.038 0.000 2.224 105 Y HA -0.163 4.388 4.550 0.001 0.000 0.289 105 Y C 2.237 178.101 175.900 -0.060 0.000 1.146 105 Y CA 1.412 59.491 58.100 -0.035 0.000 1.182 105 Y CB -0.352 38.083 38.460 -0.042 0.000 0.983 105 Y HN 0.005 nan 8.280 nan 0.000 0.524 106 A N 0.267 123.028 122.820 -0.098 0.000 1.972 106 A HA -0.060 4.260 4.320 0.001 0.000 0.219 106 A C 2.375 179.852 177.584 -0.177 0.000 1.169 106 A CA 1.483 53.425 52.037 -0.160 0.000 0.635 106 A CB -1.343 17.590 19.000 -0.111 0.000 0.810 106 A HN 0.560 nan 8.150 nan 0.000 0.446 107 A N 0.482 123.214 122.820 -0.146 0.000 2.070 107 A HA -0.071 4.250 4.320 0.001 0.000 0.220 107 A C 2.405 179.909 177.584 -0.134 0.000 1.159 107 A CA 2.033 54.017 52.037 -0.089 0.000 0.656 107 A CB -0.847 18.144 19.000 -0.015 0.000 0.800 107 A HN 0.976 nan 8.150 nan 0.000 0.453 108 S N -1.364 114.205 115.700 -0.219 0.000 2.423 108 S HA -0.115 4.355 4.470 0.001 0.000 0.231 108 S C 1.733 176.208 174.600 -0.207 0.000 1.014 108 S CA 1.780 59.838 58.200 -0.237 0.000 0.965 108 S CB -0.842 62.164 63.200 -0.323 0.000 0.785 108 S HN 0.436 nan 8.310 nan 0.000 0.495 109 T N 2.099 116.525 114.554 -0.215 0.000 2.942 109 T HA 0.281 4.632 4.350 0.001 0.000 0.265 109 T C 2.169 176.821 174.700 -0.079 0.000 1.062 109 T CA 0.975 62.990 62.100 -0.142 0.000 1.139 109 T CB -0.573 68.216 68.868 -0.131 0.000 0.883 109 T HN 0.603 nan 8.240 nan 0.000 0.468 110 A N 1.571 124.347 122.820 -0.073 0.000 1.933 110 A HA -0.097 4.223 4.320 0.001 0.000 0.218 110 A C 2.289 179.858 177.584 -0.025 0.000 1.175 110 A CA 1.178 53.196 52.037 -0.031 0.000 0.628 110 A CB -0.283 18.711 19.000 -0.010 0.000 0.814 110 A HN 0.310 nan 8.150 nan 0.000 0.444 111 E N -0.170 119.994 120.200 -0.059 0.000 2.072 111 E HA -0.065 4.285 4.350 0.001 0.000 0.190 111 E C 2.372 178.936 176.600 -0.060 0.000 0.982 111 E CA 1.078 57.440 56.400 -0.063 0.000 0.803 111 E CB -0.516 29.113 29.700 -0.117 0.000 0.755 111 E HN 0.554 nan 8.360 nan 0.000 0.453 112 A N 1.522 124.297 122.820 -0.075 0.000 1.978 112 A HA -0.227 4.093 4.320 0.001 0.000 0.220 112 A C 2.181 179.749 177.584 -0.027 0.000 1.170 112 A CA 1.808 53.801 52.037 -0.072 0.000 0.636 112 A CB -0.430 18.522 19.000 -0.080 0.000 0.810 112 A HN 0.050 nan 8.150 nan 0.000 0.448 113 R N -0.467 120.047 120.500 0.025 0.000 2.091 113 R HA -0.060 4.280 4.340 0.001 0.000 0.238 113 R C 2.117 178.498 176.300 0.133 0.000 1.136 113 R CA 2.236 58.416 56.100 0.134 0.000 0.959 113 R CB -0.445 29.906 30.300 0.085 0.000 0.856 113 R HN 0.612 nan 8.270 nan 0.000 0.437 114 M N -1.064 118.558 119.600 0.036 0.000 2.193 114 M HA 0.033 4.513 4.480 0.001 0.000 0.265 114 M C 2.285 178.557 176.300 -0.046 0.000 1.071 114 M CA 1.476 56.774 55.300 -0.004 0.000 1.140 114 M CB -0.242 32.345 32.600 -0.021 0.000 1.369 114 M HN 0.264 nan 8.290 nan 0.000 0.423 115 A N 0.536 123.316 122.820 -0.066 0.000 1.978 115 A HA -0.213 4.107 4.320 0.001 0.000 0.220 115 A C 2.184 179.686 177.584 -0.137 0.000 1.170 115 A CA 2.101 54.077 52.037 -0.102 0.000 0.636 115 A CB -0.498 18.431 19.000 -0.118 0.000 0.810 115 A HN 0.398 nan 8.150 nan 0.000 0.448 116 R N -1.849 118.531 120.500 -0.199 0.000 2.123 116 R HA 0.216 4.556 4.340 0.001 0.000 0.209 116 R C 0.836 176.837 176.300 -0.499 0.000 1.078 116 R CA 1.126 56.964 56.100 -0.437 0.000 1.028 116 R CB -0.520 29.343 30.300 -0.729 0.000 0.939 116 R HN 0.374 nan 8.270 nan 0.000 0.463 117 F N 0.640 120.597 119.950 0.012 0.000 2.695 117 F HA 0.520 5.048 4.527 0.001 0.000 0.303 117 F C 0.517 176.351 175.800 0.057 0.000 1.091 117 F CA -0.166 57.894 58.000 0.100 0.000 1.300 117 F CB 0.057 39.066 39.000 0.014 0.000 1.071 117 F HN 0.004 nan 8.300 nan 0.000 0.578 118 A N 0.578 123.424 122.820 0.043 0.000 2.409 118 A HA 0.204 4.524 4.320 0.001 0.000 0.267 118 A C 1.388 178.781 177.584 -0.319 0.000 1.127 118 A CA -0.329 51.584 52.037 -0.208 0.000 0.795 118 A CB 0.372 19.223 19.000 -0.248 0.000 1.061 118 A HN 0.358 nan 8.150 nan 0.000 0.502 119 K N 1.838 121.877 120.400 -0.601 0.000 2.288 119 K HA 0.012 4.332 4.320 0.001 0.000 0.201 119 K C 0.844 177.246 176.600 -0.330 0.000 1.048 119 K CA 1.002 56.888 56.287 -0.668 0.000 0.956 119 K CB 0.013 32.072 32.500 -0.735 0.000 0.746 119 K HN 0.769 nan 8.250 nan 0.000 0.461 120 A N 2.108 124.758 122.820 -0.284 0.000 2.350 120 A HA 0.194 4.514 4.320 0.001 0.000 0.293 120 A C -1.986 175.493 177.584 -0.175 0.000 1.231 120 A CA -1.377 50.581 52.037 -0.131 0.000 0.883 120 A CB 0.327 19.186 19.000 -0.235 0.000 1.133 120 A HN -0.035 nan 8.150 nan 0.000 0.533 121 P HA -0.187 nan 4.420 nan 0.000 0.216 121 P C 1.712 179.009 177.300 -0.005 0.000 1.153 121 P CA 2.040 65.135 63.100 -0.008 0.000 0.858 121 P CB 0.225 31.953 31.700 0.047 0.000 0.789 122 G N -0.784 108.043 108.800 0.046 0.000 2.422 122 G HA2 -0.263 3.697 3.960 0.001 0.000 0.218 122 G HA3 -0.263 3.697 3.960 0.001 0.000 0.218 122 G C 1.678 176.609 174.900 0.050 0.000 1.140 122 G CA 0.590 45.778 45.100 0.146 0.000 0.775 122 G HN 0.252 nan 8.290 nan 0.000 0.545 123 N N 0.853 119.355 118.700 -0.331 0.000 2.216 123 N HA -0.038 4.703 4.740 0.001 0.000 0.183 123 N C 2.264 177.683 175.510 -0.151 0.000 1.017 123 N CA 0.680 53.476 53.050 -0.423 0.000 0.861 123 N CB -0.294 37.668 38.487 -0.875 0.000 0.986 123 N HN 0.274 nan 8.380 nan 0.000 0.428 124 R N -0.076 120.342 120.500 -0.137 0.000 2.081 124 R HA -0.009 4.332 4.340 0.001 0.000 0.235 124 R C 1.455 177.714 176.300 -0.069 0.000 1.131 124 R CA 1.270 57.316 56.100 -0.089 0.000 0.960 124 R CB -0.276 29.984 30.300 -0.068 0.000 0.856 124 R HN 0.307 nan 8.270 nan 0.000 0.436 125 N N 0.226 118.907 118.700 -0.030 0.000 2.135 125 N HA -0.069 4.672 4.740 0.001 0.000 0.186 125 N C 1.698 177.227 175.510 0.032 0.000 1.027 125 N CA 1.103 54.127 53.050 -0.044 0.000 0.849 125 N CB -0.119 38.385 38.487 0.027 0.000 1.002 125 N HN 0.053 nan 8.380 nan 0.000 0.425 126 M N 0.618 120.328 119.600 0.182 0.000 2.213 126 M HA 0.025 4.505 4.480 0.001 0.000 0.263 126 M C 1.887 178.303 176.300 0.193 0.000 1.062 126 M CA 0.762 56.245 55.300 0.304 0.000 1.105 126 M CB -1.221 31.568 32.600 0.314 0.000 1.385 126 M HN 0.131 nan 8.290 nan 0.000 0.417 127 A N -0.824 122.035 122.820 0.066 0.000 2.014 127 A HA -0.066 4.254 4.320 0.001 0.000 0.218 127 A C 2.267 179.809 177.584 -0.071 0.000 1.163 127 A CA 1.678 53.718 52.037 0.005 0.000 0.652 127 A CB -0.817 18.168 19.000 -0.026 0.000 0.808 127 A HN 0.452 nan 8.150 nan 0.000 0.449 128 T N -0.544 113.922 114.554 -0.147 0.000 2.777 128 T HA -0.055 4.295 4.350 0.001 0.000 0.266 128 T C 1.409 175.924 174.700 -0.309 0.000 1.040 128 T CA 1.396 63.333 62.100 -0.272 0.000 1.141 128 T CB -0.370 68.257 68.868 -0.402 0.000 0.868 128 T HN 0.421 nan 8.240 nan 0.000 0.444 129 F N 1.424 121.290 119.950 -0.141 0.000 2.206 129 F HA 0.193 4.720 4.527 0.001 0.000 0.298 129 F C 2.614 178.341 175.800 -0.121 0.000 1.090 129 F CA 0.448 58.294 58.000 -0.256 0.000 1.323 129 F CB -1.082 37.810 39.000 -0.180 0.000 1.028 129 F HN 0.206 nan 8.300 nan 0.000 0.492 130 G N -0.355 108.501 108.800 0.094 0.000 2.408 130 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 130 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 130 G C 1.736 176.498 174.900 -0.230 0.000 1.150 130 G CA 0.739 45.757 45.100 -0.137 0.000 0.776 130 G HN 0.333 nan 8.290 nan 0.000 0.542 131 M N -0.129 119.381 119.600 -0.149 0.000 2.080 131 M HA -0.049 4.432 4.480 0.001 0.000 0.260 131 M C 2.408 178.638 176.300 -0.117 0.000 1.068 131 M CA 1.510 56.719 55.300 -0.151 0.000 1.109 131 M CB -0.210 32.308 32.600 -0.137 0.000 1.342 131 M HN 0.120 nan 8.290 nan 0.000 0.405 132 M N 0.561 120.118 119.600 -0.072 0.000 2.159 132 M HA -0.176 4.304 4.480 0.001 0.000 0.263 132 M C 1.490 177.829 176.300 0.064 0.000 1.063 132 M CA 1.517 56.826 55.300 0.014 0.000 1.110 132 M CB -1.444 31.164 32.600 0.013 0.000 1.374 132 M HN 0.303 nan 8.290 nan 0.000 0.411 133 D N 0.398 120.815 120.400 0.028 0.000 2.097 133 D HA -0.141 4.499 4.640 0.001 0.000 0.195 133 D C 1.911 177.920 176.300 -0.485 0.000 0.989 133 D CA 1.089 55.022 54.000 -0.112 0.000 0.827 133 D CB -0.180 40.621 40.800 0.002 0.000 0.966 133 D HN 0.358 nan 8.370 nan 0.000 0.456 134 E N 0.715 120.706 120.200 -0.349 0.000 2.268 134 E HA -0.115 4.236 4.350 0.001 0.000 0.195 134 E C 1.775 178.354 176.600 -0.035 0.000 0.995 134 E CA 0.147 56.416 56.400 -0.218 0.000 0.836 134 E CB -0.331 29.278 29.700 -0.152 0.000 0.763 134 E HN 0.402 nan 8.360 nan 0.000 0.491 135 N N 1.734 120.421 118.700 -0.021 0.000 2.142 135 N HA -0.181 4.559 4.740 0.001 0.000 0.186 135 N C 1.956 177.568 175.510 0.171 0.000 1.023 135 N CA 0.802 53.917 53.050 0.109 0.000 0.852 135 N CB 0.025 38.562 38.487 0.083 0.000 0.998 135 N HN 0.116 nan 8.380 nan 0.000 0.424 136 R N -0.025 120.552 120.500 0.129 0.000 2.073 136 R HA -0.121 4.220 4.340 0.001 0.000 0.234 136 R C 2.086 178.579 176.300 0.321 0.000 1.134 136 R CA 1.541 57.769 56.100 0.213 0.000 0.952 136 R CB -0.472 29.962 30.300 0.222 0.000 0.850 136 R HN 0.514 nan 8.270 nan 0.000 0.433 137 H N -1.615 117.560 119.070 0.175 0.000 2.353 137 H HA -0.074 4.483 4.556 0.001 0.000 0.300 137 H C 2.021 177.459 175.328 0.184 0.000 1.090 137 H CA 0.623 56.777 56.048 0.177 0.000 1.327 137 H CB -0.091 29.785 29.762 0.190 0.000 1.383 137 H HN 0.473 nan 8.280 nan 0.000 0.508 138 G N 0.506 109.498 108.800 0.320 0.000 2.402 138 G HA2 -0.236 3.725 3.960 0.001 0.000 0.216 138 G HA3 -0.236 3.725 3.960 0.001 0.000 0.216 138 G C 1.502 176.530 174.900 0.214 0.000 1.162 138 G CA 0.500 45.760 45.100 0.267 0.000 0.777 138 G HN 0.405 nan 8.290 nan 0.000 0.539 139 Q N -0.448 119.487 119.800 0.224 0.000 2.049 139 Q HA 0.103 4.444 4.340 0.001 0.000 0.198 139 Q C 2.499 178.658 176.000 0.264 0.000 0.971 139 Q CA 0.843 56.766 55.803 0.201 0.000 0.833 139 Q CB -0.138 28.710 28.738 0.183 0.000 0.896 139 Q HN 0.519 nan 8.270 nan 0.000 0.434 140 I N 0.805 121.538 120.570 0.272 0.000 2.493 140 I HA -0.250 3.921 4.170 0.001 0.000 0.254 140 I C 1.327 177.562 176.117 0.196 0.000 1.160 140 I CA 1.125 62.575 61.300 0.250 0.000 1.445 140 I CB 0.162 38.215 38.000 0.089 0.000 1.086 140 I HN 0.238 nan 8.210 nan 0.000 0.433 141 Q N 0.042 119.969 119.800 0.212 0.000 2.322 141 Q HA 0.095 4.435 4.340 0.001 0.000 0.203 141 Q C 1.444 177.545 176.000 0.168 0.000 0.923 141 Q CA 0.201 56.176 55.803 0.287 0.000 0.949 141 Q CB 0.684 29.668 28.738 0.410 0.000 1.039 141 Q HN 0.562 nan 8.270 nan 0.000 0.496 142 L N -1.889 119.441 121.223 0.177 0.000 2.526 142 L HA 0.035 4.376 4.340 0.001 0.000 0.210 142 L C 1.777 178.749 176.870 0.170 0.000 1.048 142 L CA 0.200 55.118 54.840 0.130 0.000 0.852 142 L CB -0.082 42.056 42.059 0.131 0.000 1.128 142 L HN 0.170 nan 8.230 nan 0.000 0.482 143 Y N 0.417 120.813 120.300 0.161 0.000 2.207 143 Y HA -0.271 4.280 4.550 0.001 0.000 0.287 143 Y C 2.263 178.287 175.900 0.206 0.000 1.156 143 Y CA 1.667 59.886 58.100 0.198 0.000 1.182 143 Y CB -0.125 38.523 38.460 0.313 0.000 0.979 143 Y HN -0.005 nan 8.280 nan 0.000 0.521 144 F N 0.729 120.669 119.950 -0.018 0.000 2.084 144 F HA -0.085 4.443 4.527 0.001 0.000 0.296 144 F C -0.183 175.455 175.800 -0.270 0.000 1.111 144 F CA 1.163 59.094 58.000 -0.115 0.000 1.224 144 F CB -2.087 36.929 39.000 0.026 0.000 0.991 144 F HN 0.071 nan 8.300 nan 0.000 0.471 145 P HA -0.220 nan 4.420 nan 0.000 0.221 145 P C 1.539 178.711 177.300 -0.214 0.000 1.150 145 P CA 1.312 64.183 63.100 -0.381 0.000 0.800 145 P CB -0.435 30.901 31.700 -0.606 0.000 0.787 146 Y N 2.098 122.252 120.300 -0.244 0.000 2.298 146 Y HA -0.168 4.382 4.550 0.001 0.000 0.287 146 Y C 2.437 178.165 175.900 -0.286 0.000 1.164 146 Y CA 1.389 59.363 58.100 -0.209 0.000 1.229 146 Y CB -1.098 37.232 38.460 -0.217 0.000 0.977 146 Y HN -0.029 nan 8.280 nan 0.000 0.538 147 A N -0.124 122.480 122.820 -0.360 0.000 2.125 147 A HA -0.153 4.168 4.320 0.001 0.000 0.219 147 A C 1.527 178.826 177.584 -0.476 0.000 1.156 147 A CA 1.617 53.404 52.037 -0.416 0.000 0.671 147 A CB -0.437 18.343 19.000 -0.367 0.000 0.794 147 A HN 0.609 nan 8.150 nan 0.000 0.459 148 N N -0.173 118.149 118.700 -0.629 0.000 2.204 148 N HA 0.051 4.792 4.740 0.001 0.000 0.219 148 N C 1.361 176.577 175.510 -0.490 0.000 1.151 148 N CA 0.865 53.440 53.050 -0.791 0.000 0.867 148 N CB 0.534 37.924 38.487 -1.828 0.000 1.043 148 N HN 0.419 nan 8.380 nan 0.000 0.516 149 V N -0.802 118.925 119.914 -0.313 0.000 2.594 149 V HA -0.121 3.999 4.120 0.001 0.000 0.253 149 V C 1.695 177.757 176.094 -0.053 0.000 1.069 149 V CA 1.350 63.594 62.300 -0.093 0.000 1.082 149 V CB -0.614 31.097 31.823 -0.188 0.000 0.680 149 V HN 0.064 nan 8.190 nan 0.000 0.469 150 K N 0.012 120.333 120.400 -0.131 0.000 2.459 150 K HA 0.121 4.442 4.320 0.001 0.000 0.193 150 K C 2.254 178.841 176.600 -0.022 0.000 1.030 150 K CA 0.517 56.760 56.287 -0.074 0.000 1.026 150 K CB -0.063 32.374 32.500 -0.105 0.000 0.809 150 K HN 0.509 nan 8.250 nan 0.000 0.504 151 R N -0.220 120.277 120.500 -0.005 0.000 2.112 151 R HA 0.099 4.440 4.340 0.001 0.000 0.216 151 R C 0.624 177.028 176.300 0.174 0.000 1.080 151 R CA 0.410 56.549 56.100 0.065 0.000 0.996 151 R CB 0.513 30.837 30.300 0.041 0.000 0.902 151 R HN -0.089 nan 8.270 nan 0.000 0.449 152 S N -1.067 114.809 115.700 0.292 0.000 2.556 152 S HA 0.226 4.697 4.470 0.001 0.000 0.280 152 S C -0.382 174.377 174.600 0.265 0.000 1.141 152 S CA -0.793 57.562 58.200 0.258 0.000 0.883 152 S CB 1.798 65.144 63.200 0.243 0.000 1.103 152 S HN 0.062 nan 8.310 nan 0.000 0.453 153 R N 2.634 123.231 120.500 0.162 0.000 2.152 153 R HA 0.123 4.464 4.340 0.001 0.000 0.232 153 R C 1.647 178.075 176.300 0.214 0.000 1.117 153 R CA 1.922 58.129 56.100 0.177 0.000 0.981 153 R CB -0.334 30.050 30.300 0.141 0.000 0.870 153 R HN 0.706 nan 8.270 nan 0.000 0.451 154 K N -1.286 119.169 120.400 0.091 0.000 2.160 154 K HA -0.189 4.131 4.320 0.001 0.000 0.206 154 K C 1.688 178.331 176.600 0.072 0.000 1.047 154 K CA 1.815 58.096 56.287 -0.010 0.000 0.930 154 K CB -0.266 32.136 32.500 -0.164 0.000 0.720 154 K HN 0.302 nan 8.250 nan 0.000 0.450 155 W N 1.270 122.681 121.300 0.185 0.000 2.525 155 W HA -0.138 4.523 4.660 0.001 0.000 0.259 155 W C 1.683 178.301 176.519 0.165 0.000 1.253 155 W CA 0.697 58.140 57.345 0.163 0.000 1.262 155 W CB -0.197 29.308 29.460 0.075 0.000 1.122 155 W HN 0.196 nan 8.180 nan 0.000 0.607 156 D N -1.304 119.319 120.400 0.373 0.000 2.269 156 D HA -0.167 4.473 4.640 0.001 0.000 0.208 156 D C 1.448 177.880 176.300 0.220 0.000 0.963 156 D CA 0.939 55.101 54.000 0.271 0.000 0.864 156 D CB -0.253 40.680 40.800 0.222 0.000 0.936 156 D HN 0.041 nan 8.370 nan 0.000 0.505 157 W N 0.790 122.065 121.300 -0.042 0.000 2.825 157 W HA 0.257 4.918 4.660 0.001 0.000 0.243 157 W C 2.232 178.620 176.519 -0.219 0.000 1.293 157 W CA 0.575 57.768 57.345 -0.254 0.000 1.403 157 W CB -0.547 28.534 29.460 -0.631 0.000 1.134 157 W HN 0.029 nan 8.180 nan 0.000 0.666 158 A N -0.853 122.064 122.820 0.163 0.000 1.972 158 A HA -0.246 4.075 4.320 0.001 0.000 0.219 158 A C 1.959 179.595 177.584 0.086 0.000 1.169 158 A CA 2.050 54.196 52.037 0.181 0.000 0.635 158 A CB -0.744 18.396 19.000 0.232 0.000 0.810 158 A HN 0.443 nan 8.150 nan 0.000 0.446 159 H N -0.984 118.081 119.070 -0.008 0.000 2.506 159 H HA 0.169 4.725 4.556 0.001 0.000 0.289 159 H C 1.906 177.169 175.328 -0.109 0.000 1.009 159 H CA 1.410 57.435 56.048 -0.038 0.000 1.303 159 H CB 0.021 29.788 29.762 0.009 0.000 1.453 159 H HN 0.506 nan 8.280 nan 0.000 0.526 160 K N 0.567 120.946 120.400 -0.034 0.000 2.076 160 K HA 0.010 4.331 4.320 0.001 0.000 0.204 160 K C 2.224 178.468 176.600 -0.593 0.000 1.051 160 K CA 0.864 56.974 56.287 -0.295 0.000 0.949 160 K CB -0.005 32.100 32.500 -0.657 0.000 0.726 160 K HN 0.173 nan 8.250 nan 0.000 0.443 161 A N 2.214 124.588 122.820 -0.742 0.000 1.893 161 A HA -0.252 4.069 4.320 0.001 0.000 0.222 161 A C 1.877 179.218 177.584 -0.405 0.000 1.309 161 A CA 2.183 53.804 52.037 -0.694 0.000 0.681 161 A CB -0.935 17.631 19.000 -0.723 0.000 0.842 161 A HN 0.373 nan 8.150 nan 0.000 0.468 162 I N -0.441 119.929 120.570 -0.333 0.000 2.916 162 I HA -0.131 4.039 4.170 0.001 0.000 0.267 162 I C 1.600 177.554 176.117 -0.272 0.000 1.263 162 I CA 1.153 62.299 61.300 -0.257 0.000 1.471 162 I CB -1.615 36.218 38.000 -0.278 0.000 1.089 162 I HN 0.416 nan 8.210 nan 0.000 0.468 163 H N 0.415 119.361 119.070 -0.208 0.000 2.553 163 H HA 0.132 4.689 4.556 0.001 0.000 0.265 163 H C 1.188 176.407 175.328 -0.182 0.000 0.964 163 H CA 0.391 56.337 56.048 -0.169 0.000 1.156 163 H CB 0.372 30.031 29.762 -0.171 0.000 1.411 163 H HN 0.351 nan 8.280 nan 0.000 0.558 164 T N -1.786 112.691 114.554 -0.128 0.000 2.923 164 T HA 0.208 4.559 4.350 0.001 0.000 0.281 164 T C 0.890 175.568 174.700 -0.037 0.000 0.995 164 T CA -0.870 61.153 62.100 -0.127 0.000 0.985 164 T CB 1.684 70.421 68.868 -0.217 0.000 1.114 164 T HN -0.041 nan 8.240 nan 0.000 0.548 165 N N 0.699 119.370 118.700 -0.048 0.000 2.273 165 N HA 0.106 4.846 4.740 0.001 0.000 0.231 165 N C -0.031 175.573 175.510 0.157 0.000 1.134 165 N CA -0.186 52.865 53.050 0.002 0.000 0.856 165 N CB 0.239 38.583 38.487 -0.238 0.000 1.068 165 N HN 0.686 nan 8.380 nan 0.000 0.510 166 E N 1.453 121.785 120.200 0.220 0.000 2.414 166 E HA -0.107 4.243 4.350 0.001 0.000 0.263 166 E C 1.296 178.060 176.600 0.274 0.000 1.000 166 E CA -0.349 56.246 56.400 0.326 0.000 0.914 166 E CB 0.491 30.495 29.700 0.507 0.000 0.948 166 E HN 0.327 nan 8.360 nan 0.000 0.444 167 W N 4.878 126.320 121.300 0.237 0.000 2.305 167 W HA -0.285 4.375 4.660 0.001 0.000 0.308 167 W C 1.194 177.844 176.519 0.219 0.000 1.226 167 W CA 1.340 58.798 57.345 0.188 0.000 1.253 167 W CB -1.281 28.236 29.460 0.095 0.000 1.146 167 W HN 0.530 nan 8.180 nan 0.000 0.507 168 A N 1.728 124.122 122.820 -0.711 0.000 1.972 168 A HA 0.062 4.383 4.320 0.001 0.000 0.219 168 A C 2.389 180.007 177.584 0.057 0.000 1.169 168 A CA 2.870 54.593 52.037 -0.523 0.000 0.635 168 A CB -1.111 17.466 19.000 -0.705 0.000 0.810 168 A HN 0.422 nan 8.150 nan 0.000 0.446 169 A N -0.024 122.913 122.820 0.195 0.000 1.930 169 A HA -0.014 4.306 4.320 0.001 0.000 0.217 169 A C 2.003 179.703 177.584 0.193 0.000 1.175 169 A CA 1.440 53.606 52.037 0.216 0.000 0.627 169 A CB -0.418 18.684 19.000 0.170 0.000 0.815 169 A HN 0.402 nan 8.150 nan 0.000 0.443 170 I N 0.034 120.732 120.570 0.215 0.000 2.226 170 I HA -0.240 3.931 4.170 0.001 0.000 0.245 170 I C 2.958 179.223 176.117 0.247 0.000 1.100 170 I CA 1.450 62.897 61.300 0.245 0.000 1.374 170 I CB -1.554 36.624 38.000 0.298 0.000 1.057 170 I HN 0.371 nan 8.210 nan 0.000 0.413 171 A N 1.078 124.045 122.820 0.245 0.000 1.883 171 A HA -0.172 4.148 4.320 0.001 0.000 0.217 171 A C 2.607 180.306 177.584 0.192 0.000 1.186 171 A CA 2.270 54.438 52.037 0.219 0.000 0.624 171 A CB -0.853 18.277 19.000 0.217 0.000 0.822 171 A HN 0.423 nan 8.150 nan 0.000 0.444 172 A N -0.313 122.633 122.820 0.209 0.000 1.858 172 A HA -0.182 4.138 4.320 0.001 0.000 0.216 172 A C 2.247 180.049 177.584 0.363 0.000 1.190 172 A CA 1.583 53.794 52.037 0.290 0.000 0.617 172 A CB -0.535 18.675 19.000 0.350 0.000 0.827 172 A HN 0.534 nan 8.150 nan 0.000 0.443 173 R N -0.594 120.076 120.500 0.282 0.000 2.152 173 R HA -0.095 4.245 4.340 0.001 0.000 0.232 173 R C 2.573 178.981 176.300 0.180 0.000 1.117 173 R CA 1.254 57.495 56.100 0.235 0.000 0.981 173 R CB -0.393 30.006 30.300 0.165 0.000 0.870 173 R HN 0.582 nan 8.270 nan 0.000 0.451 174 S N 0.566 116.370 115.700 0.173 0.000 2.348 174 S HA -0.179 4.291 4.470 0.001 0.000 0.221 174 S C 1.650 176.307 174.600 0.094 0.000 1.033 174 S CA 1.164 59.433 58.200 0.116 0.000 1.010 174 S CB -0.261 63.023 63.200 0.139 0.000 0.891 174 S HN 0.339 nan 8.310 nan 0.000 0.442 175 F N 1.490 121.402 119.950 -0.063 0.000 2.026 175 F HA -0.043 4.484 4.527 0.001 0.000 0.296 175 F C 1.735 177.384 175.800 -0.251 0.000 1.133 175 F CA 1.778 59.640 58.000 -0.229 0.000 1.188 175 F CB -1.044 37.670 39.000 -0.476 0.000 0.968 175 F HN 0.266 nan 8.300 nan 0.000 0.476 176 F N 1.304 121.103 119.950 -0.251 0.000 2.091 176 F HA -0.230 4.298 4.527 0.001 0.000 0.299 176 F C 2.400 178.041 175.800 -0.266 0.000 1.103 176 F CA 1.966 59.755 58.000 -0.352 0.000 1.228 176 F CB -1.229 37.715 39.000 -0.092 0.000 0.984 176 F HN 0.042 nan 8.300 nan 0.000 0.477 177 D N -0.325 120.093 120.400 0.030 0.000 2.144 177 D HA -0.169 4.471 4.640 0.001 0.000 0.199 177 D C 1.961 178.209 176.300 -0.087 0.000 0.984 177 D CA 1.372 55.364 54.000 -0.014 0.000 0.834 177 D CB -0.509 40.299 40.800 0.013 0.000 0.955 177 D HN 0.220 nan 8.370 nan 0.000 0.465 178 D N -0.465 119.858 120.400 -0.129 0.000 2.084 178 D HA -0.099 4.542 4.640 0.001 0.000 0.196 178 D C 1.971 178.166 176.300 -0.174 0.000 0.985 178 D CA 0.832 54.751 54.000 -0.135 0.000 0.826 178 D CB 0.058 40.827 40.800 -0.051 0.000 0.978 178 D HN -0.041 nan 8.370 nan 0.000 0.456 179 M N -0.309 119.099 119.600 -0.321 0.000 2.132 179 M HA -0.041 4.440 4.480 0.001 0.000 0.263 179 M C 2.251 178.460 176.300 -0.151 0.000 1.065 179 M CA 1.282 56.399 55.300 -0.306 0.000 1.122 179 M CB -0.808 31.386 32.600 -0.676 0.000 1.365 179 M HN 0.320 nan 8.290 nan 0.000 0.411 180 M N -3.880 115.646 119.600 -0.123 0.000 2.260 180 M HA 0.221 4.702 4.480 0.001 0.000 0.295 180 M C 1.245 177.527 176.300 -0.030 0.000 1.042 180 M CA 0.167 55.446 55.300 -0.036 0.000 1.116 180 M CB 0.277 32.889 32.600 0.019 0.000 1.796 180 M HN -0.097 nan 8.290 nan 0.000 0.617 181 M N 1.523 121.100 119.600 -0.039 0.000 2.476 181 M HA 0.176 4.657 4.480 0.001 0.000 0.262 181 M C 1.361 177.632 176.300 -0.048 0.000 1.111 181 M CA 1.332 56.612 55.300 -0.034 0.000 1.127 181 M CB -0.757 31.830 32.600 -0.021 0.000 1.376 181 M HN 0.506 nan 8.290 nan 0.000 0.465 182 T N -1.827 112.687 114.554 -0.066 0.000 3.228 182 T HA 0.377 4.727 4.350 0.001 0.000 0.278 182 T C 0.425 175.069 174.700 -0.093 0.000 1.014 182 T CA -0.500 61.550 62.100 -0.082 0.000 0.904 182 T CB 0.638 69.447 68.868 -0.097 0.000 1.110 182 T HN -0.004 nan 8.240 nan 0.000 0.541 183 R N 2.267 122.721 120.500 -0.077 0.000 2.778 183 R HA 0.481 4.821 4.340 0.001 0.000 0.277 183 R C -0.579 175.677 176.300 -0.073 0.000 0.977 183 R CA -0.595 55.462 56.100 -0.072 0.000 0.950 183 R CB 1.240 31.511 30.300 -0.048 0.000 1.165 183 R HN 0.546 nan 8.270 nan 0.000 0.474 184 D N -0.460 119.892 120.400 -0.080 0.000 2.362 184 D HA -0.059 4.582 4.640 0.001 0.000 0.238 184 D C 0.999 177.262 176.300 -0.062 0.000 1.212 184 D CA -0.265 53.677 54.000 -0.097 0.000 0.902 184 D CB 0.533 41.275 40.800 -0.097 0.000 1.180 184 D HN 0.306 nan 8.370 nan 0.000 0.445 185 S N -0.015 115.650 115.700 -0.060 0.000 2.359 185 S HA -0.212 4.259 4.470 0.001 0.000 0.223 185 S C 1.835 176.398 174.600 -0.062 0.000 1.039 185 S CA 1.441 59.617 58.200 -0.039 0.000 1.042 185 S CB -0.501 62.682 63.200 -0.029 0.000 0.915 185 S HN 0.419 nan 8.310 nan 0.000 0.439 186 V N 2.025 121.870 119.914 -0.115 0.000 2.343 186 V HA -0.127 3.993 4.120 0.001 0.000 0.247 186 V C 2.831 178.943 176.094 0.029 0.000 1.051 186 V CA 1.760 64.015 62.300 -0.075 0.000 1.036 186 V CB -1.358 30.407 31.823 -0.097 0.000 0.654 186 V HN 0.627 nan 8.190 nan 0.000 0.451 187 A N -0.324 122.507 122.820 0.018 0.000 1.933 187 A HA -0.161 4.159 4.320 0.001 0.000 0.218 187 A C 2.388 180.011 177.584 0.065 0.000 1.175 187 A CA 2.069 54.133 52.037 0.045 0.000 0.628 187 A CB -0.621 18.387 19.000 0.013 0.000 0.814 187 A HN 0.347 nan 8.150 nan 0.000 0.444 188 V N 0.900 120.841 119.914 0.045 0.000 2.307 188 V HA -0.241 3.880 4.120 0.001 0.000 0.245 188 V C 3.014 179.183 176.094 0.126 0.000 1.045 188 V CA 2.338 64.678 62.300 0.068 0.000 1.024 188 V CB -0.921 30.927 31.823 0.042 0.000 0.651 188 V HN 0.831 nan 8.190 nan 0.000 0.449 189 S N -0.053 115.721 115.700 0.123 0.000 2.400 189 S HA -0.173 4.297 4.470 0.001 0.000 0.232 189 S C 1.877 176.624 174.600 0.245 0.000 1.025 189 S CA 1.831 60.142 58.200 0.184 0.000 0.993 189 S CB -0.571 62.734 63.200 0.174 0.000 0.808 189 S HN 0.553 nan 8.310 nan 0.000 0.478 190 I N 1.035 121.735 120.570 0.217 0.000 2.260 190 I HA -0.043 4.128 4.170 0.001 0.000 0.237 190 I C 2.782 179.113 176.117 0.356 0.000 1.075 190 I CA 1.235 62.692 61.300 0.262 0.000 1.376 190 I CB -0.325 37.778 38.000 0.172 0.000 1.107 190 I HN 0.249 nan 8.210 nan 0.000 0.420 191 M N -0.093 119.665 119.600 0.264 0.000 2.213 191 M HA -0.177 4.303 4.480 0.001 0.000 0.263 191 M C 2.146 178.624 176.300 0.296 0.000 1.062 191 M CA 1.648 57.107 55.300 0.266 0.000 1.105 191 M CB -0.221 32.467 32.600 0.147 0.000 1.385 191 M HN 0.281 nan 8.290 nan 0.000 0.417 192 L N -0.152 121.234 121.223 0.272 0.000 2.187 192 L HA 0.005 4.345 4.340 0.001 0.000 0.197 192 L C 2.660 179.781 176.870 0.418 0.000 1.090 192 L CA 2.016 57.051 54.840 0.326 0.000 0.781 192 L CB -1.026 41.173 42.059 0.234 0.000 0.956 192 L HN 0.331 nan 8.230 nan 0.000 0.463 193 T N -2.453 112.320 114.554 0.366 0.000 2.777 193 T HA -0.183 4.168 4.350 0.001 0.000 0.266 193 T C 1.816 176.733 174.700 0.362 0.000 1.040 193 T CA 1.611 63.930 62.100 0.365 0.000 1.141 193 T CB -0.939 68.136 68.868 0.346 0.000 0.868 193 T HN 0.293 nan 8.240 nan 0.000 0.444 194 F N 2.472 122.581 119.950 0.265 0.000 2.059 194 F HA 0.415 4.943 4.527 0.001 0.000 0.289 194 F C 2.725 178.732 175.800 0.345 0.000 1.128 194 F CA 0.875 59.029 58.000 0.256 0.000 1.181 194 F CB -0.972 38.168 39.000 0.233 0.000 1.012 194 F HN 0.219 nan 8.300 nan 0.000 0.473 195 A N -0.040 123.038 122.820 0.430 0.000 1.865 195 A HA -0.207 4.114 4.320 0.001 0.000 0.217 195 A C 2.150 180.103 177.584 0.615 0.000 1.191 195 A CA 1.965 54.293 52.037 0.484 0.000 0.623 195 A CB -1.572 17.765 19.000 0.562 0.000 0.826 195 A HN 0.558 nan 8.150 nan 0.000 0.444 196 F N 0.327 120.525 119.950 0.412 0.000 2.147 196 F HA 0.074 4.602 4.527 0.001 0.000 0.291 196 F C 2.235 178.242 175.800 0.345 0.000 1.093 196 F CA 1.649 59.907 58.000 0.430 0.000 1.263 196 F CB -0.265 38.992 39.000 0.428 0.000 1.036 196 F HN 0.327 nan 8.300 nan 0.000 0.481 197 E N -0.528 119.789 120.200 0.195 0.000 2.014 197 E HA -0.124 4.226 4.350 0.001 0.000 0.190 197 E C 2.070 178.627 176.600 -0.073 0.000 0.980 197 E CA 1.768 58.163 56.400 -0.009 0.000 0.807 197 E CB -0.562 29.230 29.700 0.154 0.000 0.770 197 E HN 0.246 nan 8.360 nan 0.000 0.451 198 T N 0.359 114.895 114.554 -0.030 0.000 2.746 198 T HA -0.126 4.225 4.350 0.001 0.000 0.267 198 T C 1.869 176.387 174.700 -0.305 0.000 1.039 198 T CA 1.282 63.303 62.100 -0.131 0.000 1.142 198 T CB -0.488 68.313 68.868 -0.111 0.000 0.866 198 T HN 0.361 nan 8.240 nan 0.000 0.444 199 G N -0.867 107.737 108.800 -0.328 0.000 2.430 199 G HA2 0.078 4.038 3.960 0.001 0.000 0.216 199 G HA3 0.078 4.038 3.960 0.001 0.000 0.216 199 G C 0.977 175.454 174.900 -0.706 0.000 1.146 199 G CA 0.288 44.975 45.100 -0.688 0.000 0.793 199 G HN 0.484 nan 8.290 nan 0.000 0.537 200 F N -0.201 119.552 119.950 -0.329 0.000 2.268 200 F HA 0.114 4.642 4.527 0.001 0.000 0.262 200 F C 2.976 178.617 175.800 -0.266 0.000 0.910 200 F CA 0.840 58.601 58.000 -0.399 0.000 1.142 200 F CB -0.399 38.245 39.000 -0.594 0.000 1.229 200 F HN 0.055 nan 8.300 nan 0.000 0.781 201 T N -1.410 113.034 114.554 -0.182 0.000 2.833 201 T HA -0.152 4.198 4.350 0.001 0.000 0.269 201 T C 1.611 176.235 174.700 -0.128 0.000 1.054 201 T CA 1.785 63.791 62.100 -0.157 0.000 1.135 201 T CB -0.579 68.004 68.868 -0.475 0.000 0.869 201 T HN 0.017 nan 8.240 nan 0.000 0.466 202 N N 0.769 119.380 118.700 -0.149 0.000 2.104 202 N HA -0.003 4.737 4.740 0.001 0.000 0.190 202 N C 1.659 177.159 175.510 -0.017 0.000 1.024 202 N CA 1.393 54.377 53.050 -0.110 0.000 0.853 202 N CB -0.439 37.978 38.487 -0.116 0.000 1.008 202 N HN 0.336 nan 8.380 nan 0.000 0.424 203 M N 0.525 120.134 119.600 0.014 0.000 2.248 203 M HA 0.033 4.514 4.480 0.001 0.000 0.265 203 M C 1.979 178.443 176.300 0.274 0.000 1.079 203 M CA 1.046 56.384 55.300 0.064 0.000 1.150 203 M CB -0.426 32.173 32.600 -0.001 0.000 1.366 203 M HN 0.162 nan 8.290 nan 0.000 0.433 204 Q N -0.723 119.342 119.800 0.441 0.000 2.045 204 Q HA -0.244 4.097 4.340 0.001 0.000 0.206 204 Q C 1.777 177.989 176.000 0.354 0.000 0.991 204 Q CA 2.120 58.237 55.803 0.524 0.000 0.851 204 Q CB -0.420 28.740 28.738 0.703 0.000 0.911 204 Q HN 0.424 nan 8.270 nan 0.000 0.418 205 F N 0.285 120.279 119.950 0.073 0.000 2.250 205 F HA -0.176 4.351 4.527 0.001 0.000 0.301 205 F C 2.035 177.807 175.800 -0.046 0.000 1.077 205 F CA 0.631 58.627 58.000 -0.007 0.000 1.348 205 F CB -0.420 38.565 39.000 -0.025 0.000 1.040 205 F HN 0.191 nan 8.300 nan 0.000 0.509 206 L N -0.289 121.013 121.223 0.131 0.000 2.056 206 L HA -0.031 4.309 4.340 0.001 0.000 0.207 206 L C 2.648 179.487 176.870 -0.051 0.000 1.078 206 L CA 2.016 56.853 54.840 -0.005 0.000 0.749 206 L CB -1.582 40.429 42.059 -0.080 0.000 0.901 206 L HN 0.138 nan 8.230 nan 0.000 0.433 207 G N -1.256 107.525 108.800 -0.030 0.000 2.421 207 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 207 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 207 G C 1.576 176.416 174.900 -0.100 0.000 1.143 207 G CA 0.725 45.770 45.100 -0.091 0.000 0.784 207 G HN 0.339 nan 8.290 nan 0.000 0.541 208 L N 1.461 122.635 121.223 -0.081 0.000 2.056 208 L HA 0.213 4.554 4.340 0.001 0.000 0.207 208 L C 2.967 179.824 176.870 -0.022 0.000 1.078 208 L CA 2.088 56.886 54.840 -0.071 0.000 0.749 208 L CB -0.776 41.168 42.059 -0.191 0.000 0.901 208 L HN 0.204 nan 8.230 nan 0.000 0.433 209 A N -0.529 122.244 122.820 -0.078 0.000 1.972 209 A HA -0.067 4.254 4.320 0.001 0.000 0.219 209 A C 2.431 179.976 177.584 -0.065 0.000 1.169 209 A CA 1.714 53.710 52.037 -0.068 0.000 0.635 209 A CB -1.052 17.895 19.000 -0.088 0.000 0.810 209 A HN 0.582 nan 8.150 nan 0.000 0.446 210 A N 0.098 122.871 122.820 -0.079 0.000 1.873 210 A HA -0.149 4.171 4.320 0.001 0.000 0.215 210 A C 1.782 179.285 177.584 -0.134 0.000 1.186 210 A CA 1.689 53.671 52.037 -0.092 0.000 0.616 210 A CB -0.520 18.431 19.000 -0.083 0.000 0.823 210 A HN 0.459 nan 8.150 nan 0.000 0.442 211 D N 0.286 120.601 120.400 -0.142 0.000 2.144 211 D HA -0.077 4.563 4.640 0.001 0.000 0.199 211 D C 2.214 178.223 176.300 -0.485 0.000 0.984 211 D CA 1.460 55.324 54.000 -0.227 0.000 0.834 211 D CB -0.421 40.303 40.800 -0.127 0.000 0.955 211 D HN 0.427 nan 8.370 nan 0.000 0.465 212 A N 1.266 123.839 122.820 -0.413 0.000 1.902 212 A HA -0.080 4.241 4.320 0.001 0.000 0.217 212 A C 2.352 179.606 177.584 -0.550 0.000 1.181 212 A CA 2.252 53.918 52.037 -0.619 0.000 0.623 212 A CB -0.643 18.448 19.000 0.152 0.000 0.818 212 A HN 0.249 nan 8.150 nan 0.000 0.443 213 A N -0.317 122.313 122.820 -0.317 0.000 1.898 213 A HA -0.118 4.202 4.320 0.001 0.000 0.216 213 A C 1.965 179.374 177.584 -0.292 0.000 1.181 213 A CA 2.071 53.952 52.037 -0.259 0.000 0.620 213 A CB -0.448 18.497 19.000 -0.091 0.000 0.819 213 A HN 0.533 nan 8.150 nan 0.000 0.442 214 E N 0.451 120.486 120.200 -0.276 0.000 2.204 214 E HA -0.008 4.343 4.350 0.001 0.000 0.194 214 E C 1.706 178.127 176.600 -0.299 0.000 0.989 214 E CA 1.386 57.648 56.400 -0.231 0.000 0.824 214 E CB -0.394 29.190 29.700 -0.193 0.000 0.756 214 E HN 0.459 nan 8.360 nan 0.000 0.477 215 A N -0.720 121.802 122.820 -0.497 0.000 2.123 215 A HA 0.363 4.683 4.320 0.001 0.000 0.214 215 A C 1.887 179.243 177.584 -0.381 0.000 1.152 215 A CA 0.983 52.705 52.037 -0.524 0.000 0.728 215 A CB -0.436 17.883 19.000 -1.137 0.000 0.814 215 A HN 0.548 nan 8.150 nan 0.000 0.464 216 G N -0.874 107.574 108.800 -0.587 0.000 2.176 216 G HA2 -0.204 3.756 3.960 0.001 0.000 0.232 216 G HA3 -0.204 3.756 3.960 0.001 0.000 0.232 216 G C -0.045 173.917 174.900 -1.563 0.000 0.986 216 G CA 0.266 44.903 45.100 -0.772 0.000 0.643 216 G HN 0.493 nan 8.290 nan 0.000 0.522 217 D N 0.522 120.109 120.400 -1.355 0.000 2.494 217 D HA 0.312 4.953 4.640 0.001 0.000 0.217 217 D C 1.437 177.404 176.300 -0.554 0.000 1.153 217 D CA -0.507 52.866 54.000 -1.045 0.000 0.954 217 D CB -0.045 40.644 40.800 -0.185 0.000 1.034 217 D HN 0.424 nan 8.370 nan 0.000 0.518 218 H N 1.329 120.237 119.070 -0.269 0.000 2.428 218 H HA -0.054 4.503 4.556 0.001 0.000 0.296 218 H C 1.567 176.908 175.328 0.023 0.000 1.062 218 H CA 0.908 56.893 56.048 -0.104 0.000 1.350 218 H CB 0.042 29.738 29.762 -0.111 0.000 1.403 218 H HN 0.334 nan 8.280 nan 0.000 0.533 219 T N 1.315 115.964 114.554 0.159 0.000 2.684 219 T HA -0.168 4.182 4.350 0.001 0.000 0.267 219 T C 1.847 176.754 174.700 0.346 0.000 1.036 219 T CA 1.274 63.528 62.100 0.256 0.000 1.148 219 T CB -0.514 68.506 68.868 0.252 0.000 0.863 219 T HN 0.201 nan 8.240 nan 0.000 0.436 220 F N 1.696 121.775 119.950 0.214 0.000 2.186 220 F HA 0.088 4.616 4.527 0.001 0.000 0.299 220 F C 2.407 178.251 175.800 0.074 0.000 1.090 220 F CA 0.822 58.952 58.000 0.216 0.000 1.307 220 F CB -0.472 38.737 39.000 0.348 0.000 1.019 220 F HN 0.130 nan 8.300 nan 0.000 0.489 221 A N -0.721 122.202 122.820 0.171 0.000 1.902 221 A HA -0.165 4.155 4.320 0.001 0.000 0.217 221 A C 2.348 179.904 177.584 -0.047 0.000 1.181 221 A CA 2.036 54.088 52.037 0.025 0.000 0.623 221 A CB -1.175 17.835 19.000 0.017 0.000 0.818 221 A HN 0.398 nan 8.150 nan 0.000 0.443 222 S N -0.518 115.187 115.700 0.008 0.000 2.368 222 S HA -0.125 4.346 4.470 0.001 0.000 0.224 222 S C 1.858 176.401 174.600 -0.094 0.000 1.029 222 S CA 1.335 59.532 58.200 -0.005 0.000 0.988 222 S CB -0.467 62.774 63.200 0.068 0.000 0.838 222 S HN 0.516 nan 8.310 nan 0.000 0.462 223 L N 2.280 123.397 121.223 -0.177 0.000 1.970 223 L HA -0.101 4.239 4.340 0.001 0.000 0.212 223 L C 1.921 178.554 176.870 -0.396 0.000 1.071 223 L CA 1.781 56.377 54.840 -0.406 0.000 0.751 223 L CB -0.660 41.024 42.059 -0.625 0.000 0.889 223 L HN 0.178 nan 8.230 nan 0.000 0.432 224 I N -0.622 119.638 120.570 -0.516 0.000 2.208 224 I HA -0.251 3.920 4.170 0.001 0.000 0.245 224 I C 2.566 178.575 176.117 -0.180 0.000 1.097 224 I CA 1.458 62.479 61.300 -0.466 0.000 1.363 224 I CB -1.744 35.871 38.000 -0.641 0.000 1.051 224 I HN 0.290 nan 8.210 nan 0.000 0.413 225 S N 0.497 116.112 115.700 -0.142 0.000 2.359 225 S HA -0.205 4.265 4.470 0.001 0.000 0.224 225 S C 2.264 176.837 174.600 -0.044 0.000 1.035 225 S CA 1.910 60.071 58.200 -0.066 0.000 1.018 225 S CB -0.360 62.806 63.200 -0.057 0.000 0.876 225 S HN 0.493 nan 8.310 nan 0.000 0.448 226 S N 1.044 116.708 115.700 -0.061 0.000 2.359 226 S HA -0.092 4.379 4.470 0.001 0.000 0.224 226 S C 1.844 176.434 174.600 -0.017 0.000 1.035 226 S CA 1.015 59.194 58.200 -0.035 0.000 1.018 226 S CB -0.431 62.747 63.200 -0.036 0.000 0.876 226 S HN 0.319 nan 8.310 nan 0.000 0.448 227 I N 1.973 122.505 120.570 -0.062 0.000 2.208 227 I HA -0.140 4.030 4.170 0.001 0.000 0.245 227 I C 2.725 178.827 176.117 -0.025 0.000 1.097 227 I CA 1.353 62.570 61.300 -0.137 0.000 1.363 227 I CB -1.685 36.182 38.000 -0.221 0.000 1.051 227 I HN 0.466 nan 8.210 nan 0.000 0.413 228 Q N 0.924 120.763 119.800 0.064 0.000 2.135 228 Q HA -0.227 4.114 4.340 0.001 0.000 0.204 228 Q C 2.245 178.234 176.000 -0.018 0.000 0.981 228 Q CA 2.708 58.541 55.803 0.049 0.000 0.856 228 Q CB -0.206 28.590 28.738 0.098 0.000 0.902 228 Q HN 0.697 nan 8.270 nan 0.000 0.425 229 T N -1.596 112.950 114.554 -0.013 0.000 2.833 229 T HA -0.131 4.219 4.350 0.001 0.000 0.269 229 T C 1.189 175.873 174.700 -0.027 0.000 1.054 229 T CA 1.423 63.500 62.100 -0.039 0.000 1.135 229 T CB -0.149 68.696 68.868 -0.038 0.000 0.869 229 T HN 0.152 nan 8.240 nan 0.000 0.466 230 D N 1.183 121.617 120.400 0.057 0.000 2.123 230 D HA -0.033 4.607 4.640 0.001 0.000 0.200 230 D C 2.397 178.676 176.300 -0.035 0.000 0.976 230 D CA 0.846 54.926 54.000 0.133 0.000 0.831 230 D CB -0.233 40.800 40.800 0.389 0.000 0.974 230 D HN 0.406 nan 8.370 nan 0.000 0.469 231 E N 0.752 120.893 120.200 -0.099 0.000 2.051 231 E HA -0.135 4.216 4.350 0.001 0.000 0.192 231 E C 2.022 178.409 176.600 -0.355 0.000 0.991 231 E CA 0.579 56.730 56.400 -0.415 0.000 0.799 231 E CB -0.504 29.065 29.700 -0.218 0.000 0.748 231 E HN 0.106 nan 8.360 nan 0.000 0.449 232 S N 0.330 115.915 115.700 -0.193 0.000 2.440 232 S HA -0.207 4.264 4.470 0.001 0.000 0.240 232 S C 1.943 176.452 174.600 -0.153 0.000 1.014 232 S CA 1.533 59.639 58.200 -0.156 0.000 0.980 232 S CB 0.072 63.174 63.200 -0.164 0.000 0.775 232 S HN 0.197 nan 8.310 nan 0.000 0.499 233 R N 0.097 120.514 120.500 -0.137 0.000 2.055 233 R HA 0.017 4.358 4.340 0.001 0.000 0.221 233 R C 2.468 178.870 176.300 0.170 0.000 1.154 233 R CA 1.320 57.417 56.100 -0.004 0.000 0.975 233 R CB -0.610 29.706 30.300 0.027 0.000 0.869 233 R HN 0.780 nan 8.270 nan 0.000 0.437 234 H N -1.089 118.099 119.070 0.196 0.000 2.547 234 H HA 0.171 4.727 4.556 0.001 0.000 0.272 234 H C 1.340 176.799 175.328 0.218 0.000 0.989 234 H CA 0.694 56.871 56.048 0.215 0.000 1.214 234 H CB 0.128 30.003 29.762 0.189 0.000 1.389 234 H HN 0.319 nan 8.280 nan 0.000 0.577 235 A N 1.819 124.700 122.820 0.101 0.000 2.121 235 A HA -0.204 4.116 4.320 0.001 0.000 0.218 235 A C 2.418 180.151 177.584 0.248 0.000 1.154 235 A CA 1.097 53.244 52.037 0.184 0.000 0.679 235 A CB -0.443 18.588 19.000 0.052 0.000 0.795 235 A HN 0.715 nan 8.150 nan 0.000 0.458 236 Q N -0.373 119.589 119.800 0.271 0.000 2.364 236 Q HA -0.179 4.162 4.340 0.001 0.000 0.207 236 Q C 1.653 177.781 176.000 0.214 0.000 0.970 236 Q CA 1.454 57.389 55.803 0.221 0.000 0.888 236 Q CB -0.559 28.277 28.738 0.162 0.000 0.951 236 Q HN 0.742 nan 8.270 nan 0.000 0.469 237 Q N 0.752 120.727 119.800 0.292 0.000 2.248 237 Q HA -0.141 4.200 4.340 0.001 0.000 0.208 237 Q C 2.160 178.369 176.000 0.349 0.000 0.984 237 Q CA 1.274 57.291 55.803 0.357 0.000 0.875 237 Q CB -0.303 28.639 28.738 0.339 0.000 0.910 237 Q HN 0.684 nan 8.270 nan 0.000 0.433 238 G N 0.493 109.484 108.800 0.319 0.000 2.403 238 G HA2 -0.157 3.803 3.960 0.001 0.000 0.216 238 G HA3 -0.157 3.803 3.960 0.001 0.000 0.216 238 G C 1.318 176.309 174.900 0.153 0.000 1.154 238 G CA 0.612 45.888 45.100 0.293 0.000 0.784 238 G HN 0.454 nan 8.290 nan 0.000 0.538 239 G N 1.905 110.795 108.800 0.149 0.000 2.631 239 G HA2 -0.209 3.752 3.960 0.001 0.000 0.219 239 G HA3 -0.209 3.752 3.960 0.001 0.000 0.219 239 G C 0.076 174.933 174.900 -0.071 0.000 1.214 239 G CA 1.429 46.537 45.100 0.013 0.000 0.785 239 G HN 0.403 nan 8.290 nan 0.000 0.596 240 P HA -0.026 nan 4.420 nan 0.000 0.216 240 P C 2.307 179.615 177.300 0.012 0.000 1.150 240 P CA 1.667 64.608 63.100 -0.266 0.000 0.837 240 P CB -0.081 31.060 31.700 -0.931 0.000 0.786 241 S N -0.840 115.013 115.700 0.254 0.000 2.356 241 S HA -0.120 4.350 4.470 0.001 0.000 0.223 241 S C 1.797 176.517 174.600 0.200 0.000 1.032 241 S CA 1.126 59.583 58.200 0.429 0.000 1.005 241 S CB -1.101 62.335 63.200 0.392 0.000 0.867 241 S HN 0.101 nan 8.310 nan 0.000 0.449 242 L N 1.027 122.273 121.223 0.040 0.000 2.046 242 L HA -0.134 4.206 4.340 0.001 0.000 0.208 242 L C 2.472 179.297 176.870 -0.076 0.000 1.077 242 L CA 1.255 56.057 54.840 -0.064 0.000 0.747 242 L CB -0.426 41.486 42.059 -0.244 0.000 0.896 242 L HN 0.240 nan 8.230 nan 0.000 0.432 243 K N 0.252 120.600 120.400 -0.087 0.000 2.032 243 K HA -0.186 4.134 4.320 0.001 0.000 0.209 243 K C 2.053 178.583 176.600 -0.117 0.000 1.048 243 K CA 1.498 57.725 56.287 -0.100 0.000 0.927 243 K CB -0.279 32.157 32.500 -0.106 0.000 0.712 243 K HN 0.242 nan 8.250 nan 0.000 0.441 244 I N 1.230 121.720 120.570 -0.134 0.000 2.264 244 I HA -0.304 3.867 4.170 0.001 0.000 0.248 244 I C 2.216 178.155 176.117 -0.296 0.000 1.111 244 I CA 1.222 62.356 61.300 -0.275 0.000 1.382 244 I CB -0.264 37.458 38.000 -0.465 0.000 1.060 244 I HN 0.174 nan 8.210 nan 0.000 0.418 245 L N -0.323 120.800 121.223 -0.166 0.000 2.072 245 L HA -0.154 4.187 4.340 0.001 0.000 0.205 245 L C 2.545 179.364 176.870 -0.084 0.000 1.079 245 L CA 0.915 55.698 54.840 -0.095 0.000 0.752 245 L CB -0.460 41.612 42.059 0.021 0.000 0.906 245 L HN 0.068 nan 8.230 nan 0.000 0.436 246 V N -0.164 119.702 119.914 -0.079 0.000 2.323 246 V HA -0.265 3.855 4.120 0.001 0.000 0.244 246 V C 2.376 178.420 176.094 -0.082 0.000 1.041 246 V CA 1.732 63.991 62.300 -0.069 0.000 1.025 246 V CB -0.433 31.350 31.823 -0.067 0.000 0.656 246 V HN 0.483 nan 8.190 nan 0.000 0.451 247 E N 0.106 120.244 120.200 -0.105 0.000 2.273 247 E HA -0.206 4.144 4.350 0.001 0.000 0.198 247 E C 1.068 177.600 176.600 -0.113 0.000 1.002 247 E CA 1.260 57.594 56.400 -0.110 0.000 0.828 247 E CB 0.127 29.747 29.700 -0.134 0.000 0.747 247 E HN 0.726 nan 8.360 nan 0.000 0.491 248 N N -1.996 116.629 118.700 -0.125 0.000 3.084 248 N HA 0.301 5.042 4.740 0.001 0.000 0.336 248 N C 0.129 175.594 175.510 -0.075 0.000 1.391 248 N CA 0.059 53.041 53.050 -0.114 0.000 0.712 248 N CB 0.404 38.797 38.487 -0.157 0.000 1.248 248 N HN -0.009 nan 8.380 nan 0.000 0.545 249 G N -0.251 108.513 108.800 -0.060 0.000 4.084 249 G HA2 0.179 4.140 3.960 0.001 0.000 0.293 249 G HA3 0.179 4.140 3.960 0.001 0.000 0.293 249 G C -0.282 174.605 174.900 -0.021 0.000 1.303 249 G CA -0.116 44.962 45.100 -0.036 0.000 1.289 249 G HN 0.116 nan 8.290 nan 0.000 0.609 250 K N 0.573 120.960 120.400 -0.023 0.000 3.012 250 K HA 0.173 4.493 4.320 0.001 0.000 0.207 250 K C 1.005 177.607 176.600 0.004 0.000 1.130 250 K CA -0.434 55.853 56.287 0.001 0.000 1.021 250 K CB 1.015 33.525 32.500 0.016 0.000 0.736 250 K HN 0.376 nan 8.250 nan 0.000 0.448 251 K N 1.069 121.466 120.400 -0.005 0.000 2.148 251 K HA -0.121 4.200 4.320 0.001 0.000 0.204 251 K C 0.700 177.312 176.600 0.019 0.000 1.050 251 K CA 1.596 57.880 56.287 -0.004 0.000 0.942 251 K CB 0.359 32.851 32.500 -0.014 0.000 0.724 251 K HN 0.004 nan 8.250 nan 0.000 0.446 252 D N 1.009 121.427 120.400 0.029 0.000 2.084 252 D HA -0.141 4.499 4.640 0.001 0.000 0.196 252 D C 1.762 178.105 176.300 0.072 0.000 0.985 252 D CA 1.269 55.301 54.000 0.053 0.000 0.826 252 D CB -0.191 40.638 40.800 0.049 0.000 0.978 252 D HN 0.256 nan 8.370 nan 0.000 0.456 253 E N 1.136 121.372 120.200 0.060 0.000 2.085 253 E HA -0.123 4.227 4.350 0.001 0.000 0.194 253 E C 2.028 178.676 176.600 0.079 0.000 0.994 253 E CA 1.267 57.708 56.400 0.068 0.000 0.801 253 E CB -0.374 29.360 29.700 0.057 0.000 0.743 253 E HN 0.256 nan 8.360 nan 0.000 0.453 254 A N 0.637 123.495 122.820 0.063 0.000 1.877 254 A HA -0.296 4.024 4.320 0.001 0.000 0.216 254 A C 2.234 179.862 177.584 0.074 0.000 1.186 254 A CA 1.891 53.961 52.037 0.055 0.000 0.620 254 A CB -0.674 18.335 19.000 0.015 0.000 0.822 254 A HN 0.219 nan 8.150 nan 0.000 0.443 255 Q N -0.341 119.504 119.800 0.075 0.000 2.061 255 Q HA -0.262 4.079 4.340 0.001 0.000 0.204 255 Q C 2.225 178.337 176.000 0.187 0.000 0.984 255 Q CA 2.507 58.371 55.803 0.102 0.000 0.846 255 Q CB -0.423 28.366 28.738 0.086 0.000 0.902 255 Q HN 0.766 nan 8.270 nan 0.000 0.421 256 Q N -0.907 119.021 119.800 0.213 0.000 2.096 256 Q HA -0.191 4.149 4.340 0.001 0.000 0.204 256 Q C 1.962 178.125 176.000 0.272 0.000 0.982 256 Q CA 1.917 57.903 55.803 0.306 0.000 0.850 256 Q CB -0.093 28.779 28.738 0.223 0.000 0.901 256 Q HN 0.501 nan 8.270 nan 0.000 0.422 257 M N -0.702 119.012 119.600 0.190 0.000 2.132 257 M HA -0.149 4.331 4.480 0.001 0.000 0.263 257 M C 2.150 178.597 176.300 0.245 0.000 1.065 257 M CA 1.028 56.436 55.300 0.181 0.000 1.122 257 M CB -0.103 32.581 32.600 0.140 0.000 1.365 257 M HN 0.113 nan 8.290 nan 0.000 0.411 258 V N 0.723 120.786 119.914 0.249 0.000 2.295 258 V HA -0.266 3.854 4.120 0.001 0.000 0.246 258 V C 1.836 178.124 176.094 0.323 0.000 1.049 258 V CA 1.895 64.378 62.300 0.305 0.000 1.024 258 V CB -0.801 31.178 31.823 0.260 0.000 0.648 258 V HN 0.395 nan 8.190 nan 0.000 0.447 259 D N 0.177 120.781 120.400 0.340 0.000 2.104 259 D HA -0.141 4.499 4.640 0.001 0.000 0.194 259 D C 2.208 178.883 176.300 0.626 0.000 0.994 259 D CA 1.453 55.727 54.000 0.458 0.000 0.830 259 D CB -0.510 40.592 40.800 0.503 0.000 0.959 259 D HN 0.322 nan 8.370 nan 0.000 0.452 260 V N 1.723 121.967 119.914 0.549 0.000 2.233 260 V HA -0.270 3.851 4.120 0.001 0.000 0.247 260 V C 2.620 178.940 176.094 0.376 0.000 1.050 260 V CA 2.038 64.594 62.300 0.427 0.000 1.010 260 V CB -1.022 30.935 31.823 0.223 0.000 0.637 260 V HN 0.203 nan 8.190 nan 0.000 0.444 261 A N -0.072 122.944 122.820 0.327 0.000 1.903 261 A HA -0.252 4.069 4.320 0.001 0.000 0.219 261 A C 2.178 179.986 177.584 0.375 0.000 1.191 261 A CA 2.434 54.666 52.037 0.326 0.000 0.638 261 A CB -0.686 18.514 19.000 0.333 0.000 0.823 261 A HN 0.545 nan 8.150 nan 0.000 0.451 262 I N -2.115 118.678 120.570 0.371 0.000 2.252 262 I HA -0.253 3.918 4.170 0.001 0.000 0.245 262 I C 2.558 178.810 176.117 0.225 0.000 1.102 262 I CA 1.330 62.824 61.300 0.323 0.000 1.385 262 I CB -0.408 37.680 38.000 0.147 0.000 1.064 262 I HN 0.718 nan 8.210 nan 0.000 0.414 263 W N 2.677 124.022 121.300 0.074 0.000 2.355 263 W HA -0.180 4.480 4.660 0.001 0.000 0.309 263 W C 2.614 179.146 176.519 0.022 0.000 1.206 263 W CA 1.407 58.674 57.345 -0.130 0.000 1.284 263 W CB -0.217 29.017 29.460 -0.376 0.000 1.145 263 W HN 0.077 nan 8.180 nan 0.000 0.502 264 R N 0.195 120.783 120.500 0.147 0.000 2.096 264 R HA -0.129 4.212 4.340 0.001 0.000 0.235 264 R C 2.323 178.534 176.300 -0.148 0.000 1.127 264 R CA 1.866 58.030 56.100 0.108 0.000 0.968 264 R CB -0.872 29.640 30.300 0.353 0.000 0.861 264 R HN 0.089 nan 8.270 nan 0.000 0.440 265 S N 0.554 116.201 115.700 -0.087 0.000 2.382 265 S HA -0.165 4.305 4.470 0.001 0.000 0.228 265 S C 1.384 175.544 174.600 -0.732 0.000 1.027 265 S CA 1.026 58.908 58.200 -0.530 0.000 0.991 265 S CB -0.342 62.664 63.200 -0.322 0.000 0.823 265 S HN 0.556 nan 8.310 nan 0.000 0.469 266 W N 2.776 123.653 121.300 -0.705 0.000 2.355 266 W HA -0.175 4.486 4.660 0.001 0.000 0.309 266 W C 1.439 177.719 176.519 -0.399 0.000 1.206 266 W CA 1.125 58.159 57.345 -0.518 0.000 1.284 266 W CB -0.174 28.811 29.460 -0.792 0.000 1.145 266 W HN 0.154 nan 8.180 nan 0.000 0.502 267 K N 0.939 120.776 120.400 -0.938 0.000 2.009 267 K HA -0.226 4.094 4.320 0.001 0.000 0.210 267 K C 2.037 178.298 176.600 -0.565 0.000 1.049 267 K CA 1.583 57.372 56.287 -0.831 0.000 0.929 267 K CB -1.447 30.772 32.500 -0.469 0.000 0.714 267 K HN 0.305 nan 8.250 nan 0.000 0.440 268 L N 0.253 121.175 121.223 -0.502 0.000 2.042 268 L HA -0.119 4.222 4.340 0.001 0.000 0.210 268 L C 2.260 178.946 176.870 -0.308 0.000 1.076 268 L CA 1.423 56.011 54.840 -0.420 0.000 0.749 268 L CB -0.538 41.093 42.059 -0.713 0.000 0.893 268 L HN 0.018 nan 8.230 nan 0.000 0.432 269 F N 0.006 119.672 119.950 -0.475 0.000 2.171 269 F HA -0.237 4.290 4.527 0.001 0.000 0.300 269 F C 2.821 178.432 175.800 -0.315 0.000 1.090 269 F CA 1.531 59.377 58.000 -0.257 0.000 1.293 269 F CB -0.529 38.441 39.000 -0.051 0.000 1.013 269 F HN 0.366 nan 8.300 nan 0.000 0.486 270 S N -1.398 114.018 115.700 -0.473 0.000 2.447 270 S HA -0.130 4.340 4.470 0.001 0.000 0.233 270 S C 1.964 176.357 174.600 -0.345 0.000 1.006 270 S CA 1.192 59.069 58.200 -0.539 0.000 0.957 270 S CB -0.741 61.950 63.200 -0.850 0.000 0.773 270 S HN 0.260 nan 8.310 nan 0.000 0.507 271 V N 0.366 120.112 119.914 -0.281 0.000 2.949 271 V HA 0.338 4.459 4.120 0.001 0.000 0.245 271 V C 1.829 177.801 176.094 -0.205 0.000 1.086 271 V CA 0.604 62.821 62.300 -0.139 0.000 1.097 271 V CB -0.139 31.683 31.823 -0.002 0.000 0.762 271 V HN 0.559 nan 8.190 nan 0.000 0.470 272 L N -0.475 120.561 121.223 -0.311 0.000 2.298 272 L HA 0.066 4.407 4.340 0.001 0.000 0.209 272 L C 2.292 178.845 176.870 -0.528 0.000 1.084 272 L CA 1.539 56.150 54.840 -0.382 0.000 0.816 272 L CB -0.462 41.425 42.059 -0.286 0.000 0.967 272 L HN 0.302 nan 8.230 nan 0.000 0.460 273 T N -0.966 113.172 114.554 -0.692 0.000 3.071 273 T HA 0.089 4.440 4.350 0.001 0.000 0.239 273 T C 1.849 176.027 174.700 -0.869 0.000 0.997 273 T CA 0.643 62.265 62.100 -0.796 0.000 1.134 273 T CB -0.181 67.990 68.868 -1.163 0.000 0.928 273 T HN 0.350 nan 8.240 nan 0.000 0.453 274 G N 3.023 111.018 108.800 -1.341 0.000 2.553 274 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 274 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 274 G C -0.778 173.747 174.900 -0.625 0.000 1.195 274 G CA 1.038 45.008 45.100 -1.883 0.000 0.779 274 G HN 0.389 nan 8.290 nan 0.000 0.577 275 P HA -0.066 nan 4.420 nan 0.000 0.215 275 P C 1.980 179.211 177.300 -0.115 0.000 1.153 275 P CA 0.778 63.883 63.100 0.007 0.000 0.853 275 P CB -0.007 31.753 31.700 0.100 0.000 0.788 276 I N -0.450 119.840 120.570 -0.467 0.000 2.127 276 I HA -0.228 3.942 4.170 0.001 0.000 0.241 276 I C 2.242 178.235 176.117 -0.206 0.000 1.075 276 I CA 2.062 63.046 61.300 -0.527 0.000 1.334 276 I CB -1.555 36.103 38.000 -0.571 0.000 1.040 276 I HN 0.104 nan 8.210 nan 0.000 0.405 277 M N -1.246 118.228 119.600 -0.209 0.000 2.492 277 M HA 0.002 4.483 4.480 0.001 0.000 0.262 277 M C 0.769 177.005 176.300 -0.107 0.000 1.090 277 M CA 1.497 56.724 55.300 -0.121 0.000 1.110 277 M CB -0.527 32.024 32.600 -0.082 0.000 1.407 277 M HN -0.033 nan 8.290 nan 0.000 0.470 278 D N -0.544 119.797 120.400 -0.098 0.000 2.360 278 D HA 0.094 4.734 4.640 0.001 0.000 0.210 278 D C 0.644 176.529 176.300 -0.693 0.000 1.047 278 D CA 0.838 54.692 54.000 -0.242 0.000 0.854 278 D CB 0.303 41.050 40.800 -0.089 0.000 0.936 278 D HN 0.500 nan 8.370 nan 0.000 0.514 279 Y N -2.510 117.692 120.300 -0.163 0.000 2.524 279 Y HA 0.182 4.732 4.550 0.001 0.000 0.276 279 Y C 1.286 177.172 175.900 -0.022 0.000 1.155 279 Y CA -0.273 57.700 58.100 -0.211 0.000 1.165 279 Y CB 0.201 38.342 38.460 -0.531 0.000 1.306 279 Y HN -0.065 nan 8.280 nan 0.000 0.522 280 Y N 1.000 121.291 120.300 -0.015 0.000 2.347 280 Y HA 0.016 4.566 4.550 0.001 0.000 0.294 280 Y C 1.139 177.039 175.900 0.001 0.000 1.117 280 Y CA 0.551 58.666 58.100 0.025 0.000 1.184 280 Y CB 0.082 38.551 38.460 0.016 0.000 1.047 280 Y HN -0.151 nan 8.280 nan 0.000 0.546 281 T N 0.588 115.200 114.554 0.097 0.000 2.834 281 T HA 0.190 4.540 4.350 0.001 0.000 0.298 281 T C -2.602 172.039 174.700 -0.099 0.000 0.966 281 T CA -1.989 60.115 62.100 0.007 0.000 1.141 281 T CB 0.952 69.781 68.868 -0.065 0.000 0.905 281 T HN -0.144 nan 8.240 nan 0.000 0.535 282 P HA 0.002 nan 4.420 nan 0.000 0.264 282 P C 1.261 178.422 177.300 -0.232 0.000 1.179 282 P CA -0.292 62.731 63.100 -0.128 0.000 0.763 282 P CB 0.449 32.105 31.700 -0.074 0.000 0.806 283 L N 3.077 124.127 121.223 -0.289 0.000 2.043 283 L HA -0.233 4.108 4.340 0.001 0.000 0.212 283 L C 2.115 178.807 176.870 -0.296 0.000 1.075 283 L CA 1.807 56.406 54.840 -0.402 0.000 0.752 283 L CB -0.403 41.462 42.059 -0.324 0.000 0.891 283 L HN 0.522 nan 8.230 nan 0.000 0.432 284 E N -1.378 118.714 120.200 -0.179 0.000 2.409 284 E HA -0.135 4.216 4.350 0.001 0.000 0.198 284 E C 1.307 177.842 176.600 -0.108 0.000 1.024 284 E CA 1.055 57.385 56.400 -0.116 0.000 0.861 284 E CB -0.115 29.537 29.700 -0.080 0.000 0.788 284 E HN 0.389 nan 8.360 nan 0.000 0.521 285 S N 0.483 116.100 115.700 -0.138 0.000 2.575 285 S HA 0.210 4.681 4.470 0.001 0.000 0.237 285 S C 0.111 174.635 174.600 -0.127 0.000 0.975 285 S CA -0.505 57.623 58.200 -0.120 0.000 0.960 285 S CB 0.229 63.354 63.200 -0.125 0.000 0.822 285 S HN 0.145 nan 8.310 nan 0.000 0.472 286 R N 1.962 122.366 120.500 -0.161 0.000 2.230 286 R HA 0.330 4.671 4.340 0.001 0.000 0.337 286 R C 0.380 176.690 176.300 0.017 0.000 1.063 286 R CA -0.162 55.855 56.100 -0.138 0.000 0.935 286 R CB 0.209 30.277 30.300 -0.387 0.000 1.121 286 R HN 0.357 nan 8.270 nan 0.000 0.486 287 N N 2.086 120.815 118.700 0.048 0.000 2.028 287 N HA -0.214 4.527 4.740 0.001 0.000 0.194 287 N C 0.303 175.918 175.510 0.175 0.000 1.050 287 N CA 1.287 54.397 53.050 0.100 0.000 0.848 287 N CB 0.205 38.752 38.487 0.101 0.000 1.038 287 N HN 0.587 nan 8.380 nan 0.000 0.423 288 Q N -0.021 119.912 119.800 0.222 0.000 2.683 288 Q HA 0.491 4.831 4.340 0.001 0.000 0.302 288 Q C -1.110 175.111 176.000 0.369 0.000 1.042 288 Q CA -1.074 54.890 55.803 0.269 0.000 0.773 288 Q CB 1.478 30.369 28.738 0.255 0.000 1.508 288 Q HN 0.074 nan 8.270 nan 0.000 0.459 289 S N -0.466 115.434 115.700 0.333 0.000 2.669 289 S HA 0.249 4.719 4.470 0.001 0.000 0.270 289 S C 0.399 175.244 174.600 0.409 0.000 1.225 289 S CA -0.668 57.791 58.200 0.431 0.000 0.991 289 S CB 0.425 63.672 63.200 0.079 0.000 0.987 289 S HN 0.653 nan 8.310 nan 0.000 0.552 290 F N 1.411 121.538 119.950 0.294 0.000 2.171 290 F HA 0.007 4.535 4.527 0.001 0.000 0.300 290 F C 2.290 178.241 175.800 0.252 0.000 1.090 290 F CA 1.883 59.992 58.000 0.180 0.000 1.293 290 F CB -0.420 38.493 39.000 -0.145 0.000 1.013 290 F HN 0.797 nan 8.300 nan 0.000 0.486 291 K N 0.431 120.892 120.400 0.102 0.000 2.057 291 K HA -0.180 4.140 4.320 0.001 0.000 0.206 291 K C 1.955 178.500 176.600 -0.092 0.000 1.050 291 K CA 1.799 58.052 56.287 -0.056 0.000 0.935 291 K CB -0.237 32.323 32.500 0.100 0.000 0.715 291 K HN 0.389 nan 8.250 nan 0.000 0.439 292 E N -0.015 120.173 120.200 -0.020 0.000 2.051 292 E HA -0.212 4.138 4.350 0.001 0.000 0.192 292 E C 1.895 178.518 176.600 0.038 0.000 0.991 292 E CA 1.403 57.789 56.400 -0.024 0.000 0.799 292 E CB -0.319 29.388 29.700 0.012 0.000 0.748 292 E HN 0.311 nan 8.360 nan 0.000 0.449 293 F N 1.562 121.554 119.950 0.069 0.000 2.120 293 F HA -0.272 4.255 4.527 0.001 0.000 0.300 293 F C 2.193 178.078 175.800 0.142 0.000 1.095 293 F CA 1.429 59.571 58.000 0.237 0.000 1.249 293 F CB -0.051 39.120 39.000 0.284 0.000 0.995 293 F HN -0.049 nan 8.300 nan 0.000 0.480 294 M N -0.007 119.554 119.600 -0.065 0.000 2.117 294 M HA -0.186 4.294 4.480 0.001 0.000 0.262 294 M C 2.354 178.472 176.300 -0.304 0.000 1.065 294 M CA 1.589 56.754 55.300 -0.225 0.000 1.114 294 M CB -1.380 31.042 32.600 -0.297 0.000 1.361 294 M HN 0.287 nan 8.290 nan 0.000 0.408 295 L N -0.734 120.317 121.223 -0.287 0.000 2.023 295 L HA -0.177 4.164 4.340 0.001 0.000 0.205 295 L C 2.445 179.114 176.870 -0.335 0.000 1.073 295 L CA 1.267 55.934 54.840 -0.289 0.000 0.745 295 L CB -0.667 41.243 42.059 -0.249 0.000 0.900 295 L HN 0.345 nan 8.230 nan 0.000 0.435 296 E N -0.641 119.304 120.200 -0.425 0.000 2.204 296 E HA -0.205 4.145 4.350 0.001 0.000 0.194 296 E C 1.515 177.533 176.600 -0.969 0.000 0.989 296 E CA 1.246 57.215 56.400 -0.719 0.000 0.824 296 E CB 0.097 29.280 29.700 -0.861 0.000 0.756 296 E HN 0.523 nan 8.360 nan 0.000 0.477 297 W N -1.211 119.828 121.300 -0.434 0.000 2.725 297 W HA 0.267 4.928 4.660 0.001 0.000 0.336 297 W C 1.275 177.482 176.519 -0.521 0.000 1.012 297 W CA -0.650 56.394 57.345 -0.501 0.000 1.566 297 W CB 0.763 29.791 29.460 -0.719 0.000 1.068 297 W HN 0.023 nan 8.180 nan 0.000 0.546 298 I N -1.192 119.182 120.570 -0.326 0.000 3.739 298 I HA 0.014 4.184 4.170 0.001 0.000 0.272 298 I C 1.933 177.924 176.117 -0.211 0.000 1.167 298 I CA 0.484 61.552 61.300 -0.386 0.000 1.386 298 I CB -1.054 36.705 38.000 -0.402 0.000 1.490 298 I HN -0.282 nan 8.210 nan 0.000 0.452 299 V N 2.087 121.948 119.914 -0.087 0.000 2.358 299 V HA -0.160 3.960 4.120 0.001 0.000 0.246 299 V C 2.880 179.086 176.094 0.186 0.000 1.047 299 V CA 1.932 64.318 62.300 0.144 0.000 1.035 299 V CB -1.290 30.465 31.823 -0.114 0.000 0.658 299 V HN 0.406 nan 8.190 nan 0.000 0.452 300 A N -0.417 122.395 122.820 -0.014 0.000 1.933 300 A HA -0.259 4.062 4.320 0.001 0.000 0.218 300 A C 2.167 179.734 177.584 -0.028 0.000 1.175 300 A CA 1.908 53.927 52.037 -0.029 0.000 0.628 300 A CB -0.474 18.451 19.000 -0.125 0.000 0.814 300 A HN 0.545 nan 8.150 nan 0.000 0.444 301 Q N -1.142 118.601 119.800 -0.096 0.000 2.079 301 Q HA -0.044 4.296 4.340 0.001 0.000 0.200 301 Q C 1.679 177.625 176.000 -0.090 0.000 0.974 301 Q CA 1.413 57.131 55.803 -0.142 0.000 0.840 301 Q CB -0.526 28.049 28.738 -0.271 0.000 0.898 301 Q HN 0.648 nan 8.270 nan 0.000 0.430 302 F N 1.183 121.121 119.950 -0.021 0.000 2.126 302 F HA -0.175 4.352 4.527 0.001 0.000 0.299 302 F C 1.955 177.716 175.800 -0.064 0.000 1.096 302 F CA 1.399 59.398 58.000 -0.001 0.000 1.255 302 F CB -0.361 38.748 39.000 0.182 0.000 0.997 302 F HN 0.186 nan 8.300 nan 0.000 0.479 303 E N -0.635 119.636 120.200 0.118 0.000 2.047 303 E HA -0.234 4.116 4.350 0.001 0.000 0.191 303 E C 2.228 178.818 176.600 -0.017 0.000 0.987 303 E CA 1.067 57.436 56.400 -0.052 0.000 0.799 303 E CB -0.219 29.460 29.700 -0.033 0.000 0.752 303 E HN 0.114 nan 8.360 nan 0.000 0.449 304 R N 1.316 121.819 120.500 0.005 0.000 2.103 304 R HA -0.202 4.139 4.340 0.001 0.000 0.234 304 R C 2.352 178.670 176.300 0.030 0.000 1.132 304 R CA 1.891 57.991 56.100 -0.001 0.000 0.925 304 R CB -0.365 29.926 30.300 -0.015 0.000 0.842 304 R HN 0.108 nan 8.270 nan 0.000 0.430 305 Q N 0.326 120.171 119.800 0.074 0.000 2.045 305 Q HA -0.184 4.157 4.340 0.001 0.000 0.206 305 Q C 2.365 178.468 176.000 0.170 0.000 0.991 305 Q CA 1.903 57.805 55.803 0.166 0.000 0.851 305 Q CB -0.547 28.361 28.738 0.284 0.000 0.911 305 Q HN 0.433 nan 8.270 nan 0.000 0.418 306 L N 0.193 121.512 121.223 0.159 0.000 2.187 306 L HA -0.206 4.134 4.340 0.001 0.000 0.213 306 L C 2.406 179.273 176.870 -0.006 0.000 1.100 306 L CA 0.487 55.368 54.840 0.069 0.000 0.765 306 L CB -0.409 41.633 42.059 -0.028 0.000 0.904 306 L HN 0.164 nan 8.230 nan 0.000 0.437 307 L N -0.325 120.890 121.223 -0.014 0.000 2.023 307 L HA -0.176 4.164 4.340 0.001 0.000 0.205 307 L C 2.092 178.949 176.870 -0.022 0.000 1.073 307 L CA 1.780 56.602 54.840 -0.031 0.000 0.745 307 L CB -0.537 41.502 42.059 -0.034 0.000 0.900 307 L HN 0.193 nan 8.230 nan 0.000 0.435 308 D N -0.449 119.947 120.400 -0.006 0.000 2.265 308 D HA -0.161 4.479 4.640 0.001 0.000 0.208 308 D C 1.832 178.118 176.300 -0.023 0.000 0.977 308 D CA 1.079 55.072 54.000 -0.011 0.000 0.871 308 D CB 0.135 40.937 40.800 0.003 0.000 0.925 308 D HN 0.266 nan 8.370 nan 0.000 0.485 309 L N -0.807 120.402 121.223 -0.024 0.000 2.607 309 L HA 0.238 4.579 4.340 0.001 0.000 0.228 309 L C 1.628 178.465 176.870 -0.056 0.000 1.123 309 L CA 0.427 55.235 54.840 -0.052 0.000 0.890 309 L CB -0.091 41.919 42.059 -0.082 0.000 1.103 309 L HN 0.099 nan 8.230 nan 0.000 0.468 310 G N -0.358 108.414 108.800 -0.046 0.000 2.136 310 G HA2 -0.244 3.716 3.960 0.001 0.000 0.242 310 G HA3 -0.244 3.716 3.960 0.001 0.000 0.242 310 G C 0.252 175.123 174.900 -0.049 0.000 0.989 310 G CA 0.271 45.343 45.100 -0.047 0.000 0.682 310 G HN 0.251 nan 8.290 nan 0.000 0.522 311 L N 0.046 121.239 121.223 -0.051 0.000 2.358 311 L HA 0.604 4.944 4.340 0.001 0.000 0.268 311 L C 0.020 176.845 176.870 -0.075 0.000 1.032 311 L CA -1.166 53.642 54.840 -0.053 0.000 0.805 311 L CB 0.903 42.934 42.059 -0.047 0.000 1.253 311 L HN 0.027 nan 8.230 nan 0.000 0.452 312 D N 0.205 120.552 120.400 -0.089 0.000 2.384 312 D HA 0.300 4.940 4.640 0.001 0.000 0.250 312 D C -0.540 175.623 176.300 -0.230 0.000 1.029 312 D CA -0.623 53.297 54.000 -0.134 0.000 0.990 312 D CB 1.271 42.013 40.800 -0.098 0.000 1.175 312 D HN 0.268 nan 8.370 nan 0.000 0.532 313 K N 0.869 121.069 120.400 -0.334 0.000 2.326 313 K HA 0.253 4.574 4.320 0.001 0.000 0.275 313 K C -2.270 174.065 176.600 -0.442 0.000 1.018 313 K CA -1.132 54.792 56.287 -0.605 0.000 0.962 313 K CB 0.120 32.163 32.500 -0.763 0.000 0.953 313 K HN 0.074 nan 8.250 nan 0.000 0.475 314 P HA -0.134 nan 4.420 nan 0.000 0.266 314 P C 0.620 177.555 177.300 -0.609 0.000 1.193 314 P CA -0.085 62.614 63.100 -0.669 0.000 0.770 314 P CB 0.248 31.235 31.700 -1.189 0.000 0.836 315 W N 2.626 123.650 121.300 -0.460 0.000 2.387 315 W HA -0.175 4.486 4.660 0.001 0.000 0.272 315 W C 0.528 176.924 176.519 -0.205 0.000 1.224 315 W CA 0.723 57.887 57.345 -0.301 0.000 1.210 315 W CB -1.515 27.749 29.460 -0.326 0.000 1.125 315 W HN 0.433 nan 8.180 nan 0.000 0.572 316 Y N -3.568 116.314 120.300 -0.697 0.000 2.493 316 Y HA 0.262 4.813 4.550 0.001 0.000 0.275 316 Y C 2.098 177.953 175.900 -0.076 0.000 1.183 316 Y CA -2.041 55.720 58.100 -0.564 0.000 1.258 316 Y CB -1.533 36.129 38.460 -1.329 0.000 1.108 316 Y HN -0.006 nan 8.280 nan 0.000 0.521 317 W N 2.340 123.491 121.300 -0.248 0.000 2.321 317 W HA -0.244 4.416 4.660 0.001 0.000 0.306 317 W C 0.791 177.363 176.519 0.088 0.000 1.217 317 W CA 2.246 59.590 57.345 -0.001 0.000 1.257 317 W CB 0.024 29.420 29.460 -0.106 0.000 1.145 317 W HN 0.284 nan 8.180 nan 0.000 0.509 318 D N -0.394 120.100 120.400 0.158 0.000 2.097 318 D HA -0.212 4.429 4.640 0.001 0.000 0.197 318 D C 1.890 178.221 176.300 0.052 0.000 0.984 318 D CA 1.476 55.513 54.000 0.061 0.000 0.826 318 D CB -0.610 40.246 40.800 0.094 0.000 0.973 318 D HN 0.165 nan 8.370 nan 0.000 0.460 319 Q N 0.371 120.248 119.800 0.129 0.000 2.077 319 Q HA -0.182 4.159 4.340 0.001 0.000 0.206 319 Q C 1.958 178.088 176.000 0.218 0.000 0.989 319 Q CA 1.121 57.025 55.803 0.169 0.000 0.853 319 Q CB -0.695 28.141 28.738 0.162 0.000 0.907 319 Q HN 0.233 nan 8.270 nan 0.000 0.418 320 F N 0.121 120.078 119.950 0.012 0.000 2.095 320 F HA -0.227 4.301 4.527 0.001 0.000 0.298 320 F C 1.671 177.258 175.800 -0.355 0.000 1.104 320 F CA 1.593 59.485 58.000 -0.180 0.000 1.232 320 F CB -0.590 38.222 39.000 -0.313 0.000 0.987 320 F HN 0.125 nan 8.300 nan 0.000 0.475 321 M N 0.376 119.672 119.600 -0.506 0.000 2.080 321 M HA -0.246 4.235 4.480 0.001 0.000 0.260 321 M C 2.120 178.280 176.300 -0.234 0.000 1.068 321 M CA 1.719 56.686 55.300 -0.554 0.000 1.109 321 M CB -1.680 30.695 32.600 -0.375 0.000 1.342 321 M HN 0.317 nan 8.290 nan 0.000 0.405 322 Q N 0.199 119.972 119.800 -0.046 0.000 2.020 322 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 322 Q C 1.579 177.696 176.000 0.195 0.000 0.982 322 Q CA 1.332 57.189 55.803 0.090 0.000 0.838 322 Q CB -0.318 28.508 28.738 0.146 0.000 0.899 322 Q HN 0.478 nan 8.270 nan 0.000 0.423 323 D N 0.890 121.453 120.400 0.272 0.000 2.357 323 D HA -0.137 4.504 4.640 0.001 0.000 0.216 323 D C 1.626 178.216 176.300 0.484 0.000 0.973 323 D CA 0.821 55.101 54.000 0.467 0.000 0.912 323 D CB -0.115 41.060 40.800 0.625 0.000 0.900 323 D HN 0.278 nan 8.370 nan 0.000 0.501 324 L N 0.396 121.772 121.223 0.254 0.000 2.456 324 L HA -0.097 4.243 4.340 0.001 0.000 0.224 324 L C 1.479 178.664 176.870 0.525 0.000 1.148 324 L CA 0.771 55.789 54.840 0.297 0.000 0.825 324 L CB -0.092 41.937 42.059 -0.051 0.000 0.937 324 L HN -0.086 nan 8.230 nan 0.000 0.450 325 D N -0.743 119.950 120.400 0.488 0.000 2.354 325 D HA -0.031 4.610 4.640 0.001 0.000 0.209 325 D C 1.546 178.209 176.300 0.605 0.000 1.015 325 D CA 0.572 54.935 54.000 0.605 0.000 0.867 325 D CB 0.658 41.727 40.800 0.447 0.000 0.933 325 D HN 0.401 nan 8.370 nan 0.000 0.520 326 E N -0.024 120.492 120.200 0.527 0.000 2.870 326 E HA 0.037 4.388 4.350 0.001 0.000 0.185 326 E C 1.981 178.781 176.600 0.334 0.000 1.084 326 E CA 0.360 57.045 56.400 0.475 0.000 1.246 326 E CB -0.669 29.112 29.700 0.134 0.000 1.382 326 E HN -0.096 nan 8.360 nan 0.000 0.492 327 T N 3.172 117.992 114.554 0.445 0.000 2.578 327 T HA -0.281 4.070 4.350 0.001 0.000 0.252 327 T C 1.695 176.519 174.700 0.207 0.000 1.192 327 T CA 2.523 64.880 62.100 0.427 0.000 1.143 327 T CB -1.062 68.158 68.868 0.587 0.000 0.848 327 T HN 0.408 nan 8.240 nan 0.000 0.450 328 H N 0.810 119.938 119.070 0.097 0.000 2.489 328 H HA -0.081 4.475 4.556 0.001 0.000 0.293 328 H C 1.978 177.203 175.328 -0.170 0.000 1.066 328 H CA 1.629 57.622 56.048 -0.092 0.000 1.305 328 H CB -0.737 28.931 29.762 -0.157 0.000 1.386 328 H HN 0.552 nan 8.280 nan 0.000 0.551 329 H N 0.673 119.310 119.070 -0.723 0.000 2.395 329 H HA 0.023 4.580 4.556 0.001 0.000 0.299 329 H C 2.533 177.376 175.328 -0.809 0.000 1.070 329 H CA 1.113 56.611 56.048 -0.918 0.000 1.356 329 H CB -0.413 28.268 29.762 -1.801 0.000 1.401 329 H HN 0.589 nan 8.280 nan 0.000 0.524 330 G N 0.785 109.313 108.800 -0.453 0.000 2.402 330 G HA2 -0.179 3.782 3.960 0.001 0.000 0.216 330 G HA3 -0.179 3.782 3.960 0.001 0.000 0.216 330 G C 1.723 176.693 174.900 0.116 0.000 1.162 330 G CA 0.374 45.532 45.100 0.096 0.000 0.777 330 G HN 0.140 nan 8.290 nan 0.000 0.539 331 M N 0.277 119.926 119.600 0.083 0.000 2.117 331 M HA -0.016 4.464 4.480 0.001 0.000 0.262 331 M C 2.188 178.589 176.300 0.169 0.000 1.065 331 M CA 1.380 56.747 55.300 0.113 0.000 1.114 331 M CB -1.325 31.322 32.600 0.078 0.000 1.361 331 M HN 0.442 nan 8.290 nan 0.000 0.408 332 H N 0.572 119.673 119.070 0.053 0.000 2.321 332 H HA -0.132 4.425 4.556 0.001 0.000 0.300 332 H C 1.821 177.274 175.328 0.209 0.000 1.087 332 H CA 1.837 57.941 56.048 0.093 0.000 1.319 332 H CB -0.304 29.365 29.762 -0.155 0.000 1.379 332 H HN 0.169 nan 8.280 nan 0.000 0.501 333 L N 0.336 121.615 121.223 0.094 0.000 2.046 333 L HA -0.004 4.337 4.340 0.001 0.000 0.208 333 L C 2.503 179.484 176.870 0.186 0.000 1.077 333 L CA 2.104 56.997 54.840 0.088 0.000 0.747 333 L CB -1.254 40.853 42.059 0.080 0.000 0.896 333 L HN 0.469 nan 8.230 nan 0.000 0.432 334 G N -1.151 107.767 108.800 0.197 0.000 2.433 334 G HA2 -0.203 3.757 3.960 0.001 0.000 0.216 334 G HA3 -0.203 3.757 3.960 0.001 0.000 0.216 334 G C 1.561 176.643 174.900 0.304 0.000 1.186 334 G CA 1.082 46.330 45.100 0.246 0.000 0.779 334 G HN 0.318 nan 8.290 nan 0.000 0.543 335 V N -0.482 119.575 119.914 0.239 0.000 2.332 335 V HA -0.171 3.950 4.120 0.001 0.000 0.248 335 V C 2.256 178.460 176.094 0.182 0.000 1.055 335 V CA 1.963 64.435 62.300 0.287 0.000 1.038 335 V CB -0.555 31.503 31.823 0.391 0.000 0.651 335 V HN 0.622 nan 8.190 nan 0.000 0.450 336 W N -0.418 120.882 121.300 0.001 0.000 2.379 336 W HA -0.232 4.429 4.660 0.001 0.000 0.307 336 W C 2.499 179.024 176.519 0.009 0.000 1.200 336 W CA 1.728 59.051 57.345 -0.037 0.000 1.297 336 W CB -0.461 28.954 29.460 -0.075 0.000 1.140 336 W HN 0.336 nan 8.180 nan 0.000 0.507 337 Y N -1.206 119.127 120.300 0.055 0.000 2.274 337 Y HA -0.185 4.366 4.550 0.001 0.000 0.290 337 Y C 1.593 177.213 175.900 -0.467 0.000 1.145 337 Y CA 1.881 59.836 58.100 -0.242 0.000 1.203 337 Y CB -0.464 37.896 38.460 -0.166 0.000 0.984 337 Y HN -0.057 nan 8.280 nan 0.000 0.533 338 W N 2.444 123.647 121.300 -0.162 0.000 3.151 338 W HA 0.141 4.802 4.660 0.001 0.000 0.424 338 W C 1.588 177.954 176.519 -0.256 0.000 1.012 338 W CA 0.017 57.236 57.345 -0.210 0.000 2.018 338 W CB -0.120 29.231 29.460 -0.181 0.000 1.087 338 W HN 0.263 nan 8.180 nan 0.000 0.740 339 R N 1.467 121.797 120.500 -0.284 0.000 2.154 339 R HA -0.176 4.164 4.340 0.001 0.000 0.248 339 R C -0.866 175.234 176.300 -0.332 0.000 1.155 339 R CA 1.215 57.085 56.100 -0.384 0.000 0.979 339 R CB -1.919 28.024 30.300 -0.595 0.000 0.869 339 R HN 0.009 nan 8.270 nan 0.000 0.452 340 P HA -0.036 nan 4.420 nan 0.000 0.237 340 P C 0.543 177.782 177.300 -0.102 0.000 1.178 340 P CA 1.356 64.340 63.100 -0.193 0.000 0.766 340 P CB 0.109 31.706 31.700 -0.172 0.000 0.876 341 T N -2.924 111.626 114.554 -0.008 0.000 3.122 341 T HA 0.265 4.615 4.350 0.001 0.000 0.250 341 T C 0.660 175.408 174.700 0.078 0.000 1.067 341 T CA -0.288 61.911 62.100 0.165 0.000 0.966 341 T CB -0.851 68.254 68.868 0.396 0.000 1.002 341 T HN -0.035 nan 8.240 nan 0.000 0.542 342 V N -2.223 117.506 119.914 -0.309 0.000 3.126 342 V HA 0.773 4.893 4.120 0.001 0.000 0.314 342 V C 0.390 176.036 176.094 -0.747 0.000 1.138 342 V CA -1.685 60.138 62.300 -0.794 0.000 1.034 342 V CB 1.329 32.094 31.823 -1.763 0.000 1.075 342 V HN 0.514 nan 8.190 nan 0.000 0.442 343 W N 0.305 121.187 121.300 -0.695 0.000 3.316 343 W HA 0.618 5.279 4.660 0.001 0.000 0.327 343 W C -0.102 176.228 176.519 -0.315 0.000 1.232 343 W CA -0.893 56.051 57.345 -0.667 0.000 1.805 343 W CB -0.459 28.378 29.460 -1.040 0.000 1.090 343 W HN 0.777 nan 8.180 nan 0.000 0.654 344 W N 0.581 121.553 121.300 -0.547 0.000 2.929 344 W HA 0.633 5.293 4.660 0.001 0.000 0.345 344 W C -0.848 175.511 176.519 -0.267 0.000 1.151 344 W CA -1.511 55.607 57.345 -0.379 0.000 1.111 344 W CB 0.508 29.708 29.460 -0.432 0.000 1.449 344 W HN -0.391 nan 8.180 nan 0.000 0.572 345 D N 2.609 123.010 120.400 0.001 0.000 2.380 345 D HA 0.272 4.912 4.640 0.001 0.000 0.230 345 D C -2.310 174.010 176.300 0.033 0.000 1.154 345 D CA -1.464 52.479 54.000 -0.094 0.000 0.859 345 D CB 0.978 41.719 40.800 -0.098 0.000 1.045 345 D HN -0.067 nan 8.370 nan 0.000 0.495 346 P HA 0.145 nan 4.420 nan 0.000 0.271 346 P C -0.831 176.432 177.300 -0.061 0.000 1.220 346 P CA -0.256 62.873 63.100 0.049 0.000 0.768 346 P CB 0.804 32.578 31.700 0.122 0.000 0.848 347 A N 3.507 126.005 122.820 -0.537 0.000 2.301 347 A HA 0.532 4.852 4.320 0.001 0.000 0.298 347 A C 1.449 178.950 177.584 -0.138 0.000 1.185 347 A CA 0.054 51.929 52.037 -0.271 0.000 0.830 347 A CB 0.341 19.121 19.000 -0.368 0.000 1.112 347 A HN 0.554 nan 8.150 nan 0.000 0.508 348 A N 2.569 125.215 122.820 -0.289 0.000 1.877 348 A HA 0.325 4.646 4.320 0.001 0.000 0.216 348 A C 1.985 179.137 177.584 -0.720 0.000 1.186 348 A CA 1.623 53.146 52.037 -0.857 0.000 0.620 348 A CB -1.179 16.864 19.000 -1.595 0.000 0.822 348 A HN 2.621 nan 8.150 nan 0.000 0.443 349 G N -1.304 107.124 108.800 -0.620 0.000 2.305 349 G HA2 -0.125 3.835 3.960 0.001 0.000 0.287 349 G HA3 -0.125 3.835 3.960 0.001 0.000 0.287 349 G C 0.475 175.104 174.900 -0.451 0.000 1.036 349 G CA 0.949 45.822 45.100 -0.379 0.000 0.887 349 G HN 1.856 nan 8.290 nan 0.000 0.505 350 V N -1.973 117.485 119.914 -0.759 0.000 2.778 350 V HA 0.711 4.832 4.120 0.001 0.000 0.356 350 V C 0.810 176.793 176.094 -0.185 0.000 1.283 350 V CA 0.177 62.136 62.300 -0.567 0.000 1.247 350 V CB -0.130 31.136 31.823 -0.927 0.000 1.408 350 V HN 1.124 nan 8.190 nan 0.000 0.620 351 S N 0.368 116.015 115.700 -0.090 0.000 2.645 351 S HA 0.563 5.034 4.470 0.001 0.000 0.266 351 S C -1.404 173.249 174.600 0.087 0.000 1.258 351 S CA -0.752 57.532 58.200 0.139 0.000 0.990 351 S CB 1.316 64.547 63.200 0.052 0.000 0.967 351 S HN 0.256 nan 8.310 nan 0.000 0.556 352 P HA -0.129 nan 4.420 nan 0.000 0.213 352 P C 1.183 178.490 177.300 0.011 0.000 1.170 352 P CA 1.503 64.615 63.100 0.020 0.000 0.902 352 P CB -0.092 31.557 31.700 -0.086 0.000 0.789 353 E N -0.118 120.069 120.200 -0.022 0.000 2.070 353 E HA -0.223 4.127 4.350 0.001 0.000 0.197 353 E C 1.956 178.549 176.600 -0.012 0.000 1.004 353 E CA 1.549 57.938 56.400 -0.018 0.000 0.805 353 E CB -0.873 28.801 29.700 -0.044 0.000 0.744 353 E HN 0.457 nan 8.360 nan 0.000 0.451 354 E N 0.130 120.291 120.200 -0.065 0.000 2.106 354 E HA -0.088 4.263 4.350 0.001 0.000 0.192 354 E C 2.124 178.663 176.600 -0.102 0.000 0.984 354 E CA 0.566 56.901 56.400 -0.108 0.000 0.806 354 E CB -0.074 29.496 29.700 -0.216 0.000 0.750 354 E HN 0.158 nan 8.360 nan 0.000 0.458 355 R N 0.997 121.440 120.500 -0.095 0.000 2.120 355 R HA -0.151 4.189 4.340 0.001 0.000 0.234 355 R C 2.214 178.472 176.300 -0.070 0.000 1.123 355 R CA 1.539 57.563 56.100 -0.127 0.000 0.975 355 R CB -0.184 30.169 30.300 0.090 0.000 0.866 355 R HN 0.400 nan 8.270 nan 0.000 0.446 356 E N -0.667 119.540 120.200 0.011 0.000 2.230 356 E HA -0.183 4.168 4.350 0.001 0.000 0.192 356 E C 1.691 178.291 176.600 -0.000 0.000 0.987 356 E CA 0.391 56.806 56.400 0.024 0.000 0.841 356 E CB -0.431 29.294 29.700 0.043 0.000 0.783 356 E HN 0.386 nan 8.360 nan 0.000 0.481 357 W N 2.211 123.426 121.300 -0.143 0.000 2.363 357 W HA -0.056 4.605 4.660 0.001 0.000 0.296 357 W C 1.680 178.099 176.519 -0.167 0.000 1.212 357 W CA 1.297 58.558 57.345 -0.141 0.000 1.260 357 W CB -0.052 29.311 29.460 -0.162 0.000 1.131 357 W HN -0.040 nan 8.180 nan 0.000 0.530 358 L N 0.303 121.441 121.223 -0.142 0.000 2.141 358 L HA -0.150 4.191 4.340 0.001 0.000 0.209 358 L C 2.382 179.087 176.870 -0.275 0.000 1.094 358 L CA 1.716 56.305 54.840 -0.418 0.000 0.763 358 L CB -0.807 40.572 42.059 -1.133 0.000 0.908 358 L HN -0.039 nan 8.230 nan 0.000 0.437 359 E N 0.395 120.510 120.200 -0.141 0.000 2.158 359 E HA -0.217 4.133 4.350 0.001 0.000 0.191 359 E C 2.006 178.578 176.600 -0.046 0.000 0.982 359 E CA 1.002 57.430 56.400 0.047 0.000 0.823 359 E CB 0.115 29.875 29.700 0.100 0.000 0.766 359 E HN 0.370 nan 8.360 nan 0.000 0.468 360 E N -0.256 119.841 120.200 -0.172 0.000 2.047 360 E HA -0.171 4.180 4.350 0.001 0.000 0.191 360 E C 1.473 177.864 176.600 -0.347 0.000 0.987 360 E CA 1.027 57.286 56.400 -0.234 0.000 0.799 360 E CB 0.134 29.664 29.700 -0.284 0.000 0.752 360 E HN -0.000 nan 8.360 nan 0.000 0.449 361 K N -0.361 119.692 120.400 -0.578 0.000 2.305 361 K HA -0.040 4.281 4.320 0.001 0.000 0.199 361 K C 0.023 176.174 176.600 -0.748 0.000 1.047 361 K CA 0.697 56.524 56.287 -0.767 0.000 0.976 361 K CB 0.270 32.050 32.500 -1.200 0.000 0.765 361 K HN 0.233 nan 8.250 nan 0.000 0.474 362 Y N 0.562 120.781 120.300 -0.136 0.000 2.592 362 Y HA 0.278 4.829 4.550 0.001 0.000 0.354 362 Y C -2.539 173.429 175.900 0.113 0.000 1.063 362 Y CA -2.702 55.434 58.100 0.060 0.000 1.205 362 Y CB 1.056 39.630 38.460 0.189 0.000 1.106 362 Y HN -0.129 nan 8.280 nan 0.000 0.649 363 P HA 0.082 nan 4.420 nan 0.000 0.260 363 P C 0.950 178.368 177.300 0.197 0.000 1.185 363 P CA 1.687 64.871 63.100 0.140 0.000 0.763 363 P CB 0.524 32.265 31.700 0.068 0.000 0.776 364 G N 2.213 111.141 108.800 0.213 0.000 2.184 364 G HA2 -0.239 3.722 3.960 0.001 0.000 0.206 364 G HA3 -0.239 3.722 3.960 0.001 0.000 0.206 364 G C 0.715 175.762 174.900 0.245 0.000 0.995 364 G CA -0.107 45.107 45.100 0.189 0.000 0.651 364 G HN 0.502 nan 8.290 nan 0.000 0.511 365 W N 1.470 122.860 121.300 0.151 0.000 2.352 365 W HA -0.026 4.635 4.660 0.001 0.000 0.322 365 W C 2.205 178.837 176.519 0.189 0.000 1.208 365 W CA 2.346 59.809 57.345 0.197 0.000 1.286 365 W CB -0.266 29.273 29.460 0.132 0.000 1.167 365 W HN 0.196 nan 8.180 nan 0.000 0.469 366 N N 0.385 119.400 118.700 0.525 0.000 2.272 366 N HA -0.222 4.518 4.740 0.001 0.000 0.185 366 N C 1.068 176.638 175.510 0.100 0.000 1.014 366 N CA 1.989 55.237 53.050 0.330 0.000 0.870 366 N CB -0.708 37.999 38.487 0.367 0.000 0.975 366 N HN 0.335 nan 8.380 nan 0.000 0.433 367 D N -0.329 120.122 120.400 0.084 0.000 2.224 367 D HA -0.079 4.562 4.640 0.001 0.000 0.205 367 D C 1.863 178.121 176.300 -0.069 0.000 0.965 367 D CA 1.458 55.471 54.000 0.022 0.000 0.852 367 D CB 0.269 41.094 40.800 0.042 0.000 0.947 367 D HN 0.383 nan 8.370 nan 0.000 0.494 368 T N -3.517 110.943 114.554 -0.157 0.000 3.571 368 T HA 0.030 4.381 4.350 0.001 0.000 0.217 368 T C 1.749 176.157 174.700 -0.486 0.000 0.925 368 T CA -0.097 61.795 62.100 -0.347 0.000 1.376 368 T CB -1.181 67.398 68.868 -0.481 0.000 1.375 368 T HN 0.184 nan 8.240 nan 0.000 0.404 369 W N 2.109 123.091 121.300 -0.530 0.000 2.325 369 W HA 0.145 4.805 4.660 0.001 0.000 0.299 369 W C 2.797 178.898 176.519 -0.698 0.000 1.215 369 W CA 0.793 57.698 57.345 -0.734 0.000 1.244 369 W CB -0.844 27.816 29.460 -1.333 0.000 1.140 369 W HN 0.599 nan 8.180 nan 0.000 0.523 370 G N -0.121 108.304 108.800 -0.626 0.000 2.479 370 G HA2 -0.261 3.700 3.960 0.001 0.000 0.220 370 G HA3 -0.261 3.700 3.960 0.001 0.000 0.220 370 G C 1.475 176.389 174.900 0.024 0.000 1.115 370 G CA 0.863 45.860 45.100 -0.171 0.000 0.757 370 G HN 0.189 nan 8.290 nan 0.000 0.560 371 Q N 0.217 119.974 119.800 -0.071 0.000 1.993 371 Q HA -0.110 4.231 4.340 0.001 0.000 0.202 371 Q C 2.920 178.887 176.000 -0.055 0.000 0.984 371 Q CA 1.433 57.202 55.803 -0.057 0.000 0.837 371 Q CB -1.084 27.585 28.738 -0.115 0.000 0.902 371 Q HN 0.505 nan 8.270 nan 0.000 0.423 372 C N -0.472 118.752 119.300 -0.126 0.000 2.401 372 C HA -0.175 4.286 4.460 0.001 0.000 0.276 372 C C 2.422 177.316 174.990 -0.160 0.000 1.233 372 C CA 0.455 59.355 59.018 -0.195 0.000 1.753 372 C CB -1.490 26.070 27.740 -0.299 0.000 2.029 372 C HN 0.585 nan 8.230 nan 0.000 0.478 373 W N 0.925 122.203 121.300 -0.036 0.000 2.465 373 W HA -0.058 4.602 4.660 0.001 0.000 0.268 373 W C 2.128 178.643 176.519 -0.006 0.000 1.242 373 W CA 0.653 57.992 57.345 -0.010 0.000 1.248 373 W CB -0.396 29.081 29.460 0.029 0.000 1.118 373 W HN 0.353 nan 8.180 nan 0.000 0.587 374 D N -0.043 120.465 120.400 0.180 0.000 2.084 374 D HA -0.172 4.469 4.640 0.001 0.000 0.194 374 D C 2.295 178.627 176.300 0.054 0.000 0.990 374 D CA 1.626 55.681 54.000 0.091 0.000 0.826 374 D CB -0.801 40.034 40.800 0.059 0.000 0.971 374 D HN -0.039 nan 8.370 nan 0.000 0.453 375 V N 1.513 121.445 119.914 0.030 0.000 2.287 375 V HA -0.242 3.878 4.120 0.001 0.000 0.248 375 V C 2.587 178.714 176.094 0.056 0.000 1.053 375 V CA 1.254 63.564 62.300 0.016 0.000 1.027 375 V CB -0.463 31.346 31.823 -0.023 0.000 0.646 375 V HN 0.198 nan 8.190 nan 0.000 0.447 376 I N 0.081 120.709 120.570 0.097 0.000 2.264 376 I HA -0.258 3.913 4.170 0.001 0.000 0.248 376 I C 2.513 178.763 176.117 0.222 0.000 1.111 376 I CA 1.946 63.364 61.300 0.197 0.000 1.382 376 I CB -0.695 37.445 38.000 0.234 0.000 1.060 376 I HN 0.355 nan 8.210 nan 0.000 0.418 377 T N -0.071 114.597 114.554 0.190 0.000 2.737 377 T HA -0.153 4.198 4.350 0.001 0.000 0.265 377 T C 1.532 176.226 174.700 -0.010 0.000 1.038 377 T CA 1.412 63.563 62.100 0.085 0.000 1.144 377 T CB -0.297 68.493 68.868 -0.129 0.000 0.866 377 T HN 0.312 nan 8.240 nan 0.000 0.434 378 D N 1.355 121.752 120.400 -0.006 0.000 2.104 378 D HA -0.083 4.558 4.640 0.001 0.000 0.194 378 D C 2.023 178.322 176.300 -0.001 0.000 0.994 378 D CA 1.075 55.072 54.000 -0.006 0.000 0.830 378 D CB -0.624 40.177 40.800 0.002 0.000 0.959 378 D HN 0.440 nan 8.370 nan 0.000 0.452 379 N N 0.169 118.878 118.700 0.015 0.000 2.094 379 N HA -0.114 4.627 4.740 0.001 0.000 0.191 379 N C 2.006 177.503 175.510 -0.020 0.000 1.023 379 N CA 0.599 53.652 53.050 0.005 0.000 0.857 379 N CB -0.080 38.425 38.487 0.030 0.000 1.013 379 N HN 0.118 nan 8.380 nan 0.000 0.426 380 L N 0.122 121.336 121.223 -0.016 0.000 2.093 380 L HA -0.103 4.237 4.340 0.001 0.000 0.208 380 L C 2.093 178.905 176.870 -0.096 0.000 1.085 380 L CA 0.656 55.445 54.840 -0.085 0.000 0.755 380 L CB -0.362 41.637 42.059 -0.099 0.000 0.904 380 L HN 0.084 nan 8.230 nan 0.000 0.435 381 V N -0.205 119.674 119.914 -0.058 0.000 2.427 381 V HA -0.208 3.913 4.120 0.001 0.000 0.248 381 V C 1.410 177.484 176.094 -0.032 0.000 1.051 381 V CA 1.465 63.745 62.300 -0.034 0.000 1.048 381 V CB -0.551 31.276 31.823 0.005 0.000 0.666 381 V HN 0.512 nan 8.190 nan 0.000 0.456 382 N N 0.477 119.158 118.700 -0.031 0.000 2.322 382 N HA 0.172 4.912 4.740 0.001 0.000 0.216 382 N C 1.217 176.701 175.510 -0.042 0.000 1.144 382 N CA 0.841 53.873 53.050 -0.029 0.000 0.830 382 N CB 0.566 39.042 38.487 -0.019 0.000 1.034 382 N HN 0.546 nan 8.380 nan 0.000 0.484 383 G N 1.531 110.295 108.800 -0.061 0.000 2.350 383 G HA2 -0.300 3.661 3.960 0.001 0.000 0.298 383 G HA3 -0.300 3.661 3.960 0.001 0.000 0.298 383 G C 0.005 174.863 174.900 -0.070 0.000 1.037 383 G CA 0.110 45.166 45.100 -0.073 0.000 1.074 383 G HN 0.379 nan 8.290 nan 0.000 0.511 384 K N -0.568 119.789 120.400 -0.072 0.000 3.253 384 K HA 0.227 4.548 4.320 0.001 0.000 0.174 384 K C -1.918 174.636 176.600 -0.076 0.000 1.071 384 K CA -1.477 54.771 56.287 -0.064 0.000 0.836 384 K CB 1.858 34.334 32.500 -0.041 0.000 0.922 384 K HN 0.108 nan 8.250 nan 0.000 0.565 385 P HA -0.250 nan 4.420 nan 0.000 0.217 385 P C 1.186 178.405 177.300 -0.135 0.000 1.150 385 P CA 1.094 64.103 63.100 -0.151 0.000 0.832 385 P CB 0.205 31.771 31.700 -0.222 0.000 0.787 386 E N 0.475 120.603 120.200 -0.121 0.000 2.284 386 E HA -0.195 4.156 4.350 0.001 0.000 0.200 386 E C 1.361 177.890 176.600 -0.119 0.000 1.008 386 E CA 1.248 57.575 56.400 -0.122 0.000 0.829 386 E CB -1.241 28.404 29.700 -0.092 0.000 0.744 386 E HN 0.339 nan 8.360 nan 0.000 0.491 387 L N 1.434 122.610 121.223 -0.079 0.000 2.628 387 L HA 0.112 4.453 4.340 0.001 0.000 0.229 387 L C 1.761 178.640 176.870 0.015 0.000 1.137 387 L CA 0.832 55.655 54.840 -0.028 0.000 0.909 387 L CB 0.090 42.148 42.059 -0.000 0.000 1.137 387 L HN 0.167 nan 8.230 nan 0.000 0.470 388 T N -3.016 111.474 114.554 -0.107 0.000 3.092 388 T HA 0.273 4.624 4.350 0.001 0.000 0.258 388 T C 0.234 174.379 174.700 -0.925 0.000 1.031 388 T CA -0.224 61.781 62.100 -0.158 0.000 0.925 388 T CB -0.029 68.918 68.868 0.131 0.000 1.036 388 T HN 0.006 nan 8.240 nan 0.000 0.544 389 V N -1.266 118.111 119.914 -0.896 0.000 2.876 389 V HA 0.810 4.931 4.120 0.001 0.000 0.312 389 V C -2.976 172.616 176.094 -0.837 0.000 1.085 389 V CA -2.871 58.806 62.300 -1.039 0.000 0.945 389 V CB 2.122 33.597 31.823 -0.579 0.000 1.017 389 V HN -0.035 nan 8.190 nan 0.000 0.428 390 P HA 0.415 nan 4.420 nan 0.000 0.274 390 P C -0.437 176.711 177.300 -0.253 0.000 1.246 390 P CA -0.059 62.739 63.100 -0.504 0.000 0.795 390 P CB 1.318 32.406 31.700 -1.019 0.000 1.006 391 E N -1.171 118.962 120.200 -0.111 0.000 2.759 391 E HA 0.166 4.517 4.350 0.001 0.000 0.220 391 E C 0.179 176.775 176.600 -0.008 0.000 0.974 391 E CA -0.016 56.350 56.400 -0.056 0.000 1.148 391 E CB 1.051 30.722 29.700 -0.047 0.000 1.059 391 E HN 0.420 nan 8.360 nan 0.000 0.493 392 T N -0.127 114.454 114.554 0.045 0.000 2.762 392 T HA 0.492 4.842 4.350 0.001 0.000 0.301 392 T C -1.621 173.187 174.700 0.180 0.000 1.299 392 T CA -0.545 61.587 62.100 0.052 0.000 1.005 392 T CB 1.186 70.082 68.868 0.046 0.000 1.377 392 T HN -0.035 nan 8.240 nan 0.000 0.504 393 L N 3.361 124.566 121.223 -0.031 0.000 2.325 393 L HA 0.565 4.905 4.340 0.001 0.000 0.279 393 L C -1.685 175.063 176.870 -0.204 0.000 1.054 393 L CA -1.932 52.824 54.840 -0.141 0.000 0.804 393 L CB 1.789 43.631 42.059 -0.361 0.000 1.200 393 L HN 0.578 nan 8.230 nan 0.000 0.436 394 P HA 0.154 nan 4.420 nan 0.000 0.278 394 P C -0.762 176.311 177.300 -0.379 0.000 1.258 394 P CA -0.479 62.306 63.100 -0.524 0.000 0.811 394 P CB 0.765 31.831 31.700 -1.056 0.000 1.063 395 T N 2.187 116.578 114.554 -0.271 0.000 2.834 395 T HA 0.225 4.576 4.350 0.001 0.000 0.298 395 T C 0.514 175.087 174.700 -0.211 0.000 0.966 395 T CA 0.078 62.036 62.100 -0.237 0.000 1.141 395 T CB -0.172 68.578 68.868 -0.196 0.000 0.905 395 T HN 0.166 nan 8.240 nan 0.000 0.535 396 I N 2.290 122.752 120.570 -0.179 0.000 2.392 396 I HA 0.212 4.383 4.170 0.001 0.000 0.295 396 I C 1.028 177.128 176.117 -0.028 0.000 0.985 396 I CA -0.893 60.347 61.300 -0.100 0.000 1.221 396 I CB 1.103 39.070 38.000 -0.056 0.000 1.366 396 I HN 0.729 nan 8.210 nan 0.000 0.467 397 C N 6.627 125.946 119.300 0.032 0.000 2.653 397 C HA 0.107 4.567 4.460 0.001 0.000 0.421 397 C C 1.672 176.701 174.990 0.065 0.000 1.334 397 C CA -0.279 58.779 59.018 0.067 0.000 1.885 397 C CB -0.487 27.355 27.740 0.171 0.000 2.645 397 C HN 0.742 nan 8.230 nan 0.000 0.601 398 N N 3.301 121.949 118.700 -0.086 0.000 2.434 398 N HA -0.015 4.725 4.740 0.001 0.000 0.196 398 N C 0.701 176.370 175.510 0.266 0.000 1.183 398 N CA 0.350 53.426 53.050 0.043 0.000 0.849 398 N CB 0.360 38.782 38.487 -0.109 0.000 0.992 398 N HN 0.804 nan 8.380 nan 0.000 0.460 399 M N -0.021 119.770 119.600 0.318 0.000 3.046 399 M HA 0.072 4.553 4.480 0.001 0.000 0.215 399 M C 1.885 178.309 176.300 0.206 0.000 1.815 399 M CA 0.862 56.322 55.300 0.266 0.000 1.316 399 M CB -0.656 32.129 32.600 0.309 0.000 1.187 399 M HN 0.104 nan 8.290 nan 0.000 0.595 400 C N 0.651 120.086 119.300 0.225 0.000 2.576 400 C HA 0.380 4.841 4.460 0.001 0.000 0.267 400 C C 0.723 175.820 174.990 0.179 0.000 1.364 400 C CA 0.067 59.191 59.018 0.176 0.000 1.723 400 C CB -1.898 25.923 27.740 0.135 0.000 1.778 400 C HN 0.736 nan 8.230 nan 0.000 0.572 401 N N 0.779 119.599 118.700 0.201 0.000 2.708 401 N HA -0.148 4.593 4.740 0.001 0.000 0.249 401 N C -0.565 175.073 175.510 0.214 0.000 1.097 401 N CA 1.012 54.193 53.050 0.218 0.000 0.710 401 N CB -1.017 37.632 38.487 0.270 0.000 1.032 401 N HN 0.667 nan 8.380 nan 0.000 0.551 402 L N -0.251 121.068 121.223 0.160 0.000 2.319 402 L HA 0.574 4.915 4.340 0.001 0.000 0.267 402 L C -2.141 174.738 176.870 0.016 0.000 1.011 402 L CA -1.963 52.956 54.840 0.132 0.000 0.818 402 L CB 1.447 43.584 42.059 0.130 0.000 1.316 402 L HN -0.263 nan 8.230 nan 0.000 0.432 403 P HA 0.087 nan 4.420 nan 0.000 0.268 403 P C -0.660 176.624 177.300 -0.026 0.000 1.205 403 P CA 0.183 63.176 63.100 -0.179 0.000 0.771 403 P CB 0.397 31.892 31.700 -0.341 0.000 0.858 404 I N 2.557 123.122 120.570 -0.008 0.000 2.294 404 I HA 0.389 4.560 4.170 0.001 0.000 0.295 404 I C 0.597 176.782 176.117 0.114 0.000 1.098 404 I CA 0.315 61.670 61.300 0.092 0.000 1.277 404 I CB -0.154 37.905 38.000 0.098 0.000 1.434 404 I HN 0.361 nan 8.210 nan 0.000 0.498 405 A N 6.619 129.557 122.820 0.196 0.000 2.566 405 A HA 0.813 5.133 4.320 0.001 0.000 0.292 405 A C -0.928 176.922 177.584 0.444 0.000 1.112 405 A CA -0.355 51.840 52.037 0.264 0.000 0.707 405 A CB 2.201 21.345 19.000 0.239 0.000 1.302 405 A HN 0.752 nan 8.150 nan 0.000 0.409 406 H N -1.189 118.059 119.070 0.298 0.000 3.012 406 H HA 0.245 4.802 4.556 0.001 0.000 0.258 406 H C -0.743 174.645 175.328 0.101 0.000 1.530 406 H CA 0.030 56.277 56.048 0.332 0.000 1.187 406 H CB 0.657 30.542 29.762 0.204 0.000 1.907 406 H HN 0.708 nan 8.280 nan 0.000 0.695 407 T N 5.077 119.521 114.554 -0.183 0.000 2.822 407 T HA 0.085 4.436 4.350 0.001 0.000 0.288 407 T C -2.169 172.289 174.700 -0.404 0.000 0.991 407 T CA -0.471 61.322 62.100 -0.510 0.000 1.176 407 T CB 0.582 69.312 68.868 -0.230 0.000 0.951 407 T HN 0.260 nan 8.240 nan 0.000 0.526 408 P HA 0.621 nan 4.420 nan 0.000 0.341 408 P C 0.784 177.934 177.300 -0.251 0.000 1.255 408 P CA -0.132 62.797 63.100 -0.286 0.000 0.790 408 P CB 0.947 32.381 31.700 -0.442 0.000 1.437 409 G N 0.162 108.844 108.800 -0.198 0.000 2.574 409 G HA2 -0.332 3.628 3.960 0.001 0.000 0.286 409 G HA3 -0.332 3.628 3.960 0.001 0.000 0.286 409 G C 1.075 175.932 174.900 -0.072 0.000 1.212 409 G CA 0.623 45.626 45.100 -0.161 0.000 0.979 409 G HN 0.576 nan 8.290 nan 0.000 0.557 410 N N 0.854 119.516 118.700 -0.063 0.000 2.043 410 N HA -0.086 4.655 4.740 0.001 0.000 0.193 410 N C 1.550 177.077 175.510 0.028 0.000 1.037 410 N CA 1.557 54.599 53.050 -0.015 0.000 0.851 410 N CB -0.223 38.255 38.487 -0.014 0.000 1.027 410 N HN 0.420 nan 8.380 nan 0.000 0.422 411 K N 0.787 121.188 120.400 0.002 0.000 2.911 411 K HA 0.000 4.321 4.320 0.001 0.000 0.239 411 K C -0.369 176.262 176.600 0.053 0.000 1.090 411 K CA -0.499 55.802 56.287 0.023 0.000 1.225 411 K CB -1.043 31.455 32.500 -0.003 0.000 1.087 411 K HN 0.259 nan 8.250 nan 0.000 0.464 412 W N 2.185 123.420 121.300 -0.109 0.000 2.484 412 W HA -0.185 4.476 4.660 0.001 0.000 0.337 412 W C 0.339 176.836 176.519 -0.037 0.000 1.214 412 W CA 0.902 58.184 57.345 -0.104 0.000 1.296 412 W CB 0.071 29.476 29.460 -0.091 0.000 1.174 412 W HN 0.254 nan 8.180 nan 0.000 0.564 413 N N 4.826 123.218 118.700 -0.513 0.000 2.581 413 N HA 0.071 4.811 4.740 0.001 0.000 0.274 413 N C -2.067 173.199 175.510 -0.407 0.000 1.629 413 N CA -0.282 52.479 53.050 -0.481 0.000 0.884 413 N CB -0.147 38.283 38.487 -0.095 0.000 1.423 413 N HN 0.044 nan 8.380 nan 0.000 0.507 414 V N 1.402 120.881 119.914 -0.725 0.000 2.498 414 V HA 0.451 4.571 4.120 0.001 0.000 0.279 414 V C 0.218 176.129 176.094 -0.306 0.000 1.048 414 V CA 0.055 62.202 62.300 -0.254 0.000 0.967 414 V CB 1.219 33.059 31.823 0.028 0.000 0.988 414 V HN 0.187 nan 8.190 nan 0.000 0.473 415 K N 2.746 123.045 120.400 -0.167 0.000 2.482 415 K HA 0.587 4.908 4.320 0.001 0.000 0.257 415 K C -1.520 174.995 176.600 -0.142 0.000 0.969 415 K CA -0.933 55.213 56.287 -0.235 0.000 0.842 415 K CB 2.426 34.695 32.500 -0.385 0.000 1.359 415 K HN 0.621 nan 8.250 nan 0.000 0.441 416 D N 1.166 121.443 120.400 -0.205 0.000 2.542 416 D HA 0.198 4.838 4.640 0.001 0.000 0.252 416 D C -1.332 174.895 176.300 -0.122 0.000 1.222 416 D CA -0.460 53.520 54.000 -0.034 0.000 0.895 416 D CB 0.569 41.412 40.800 0.072 0.000 1.207 416 D HN 0.376 nan 8.370 nan 0.000 0.558 417 Y N 2.693 123.063 120.300 0.117 0.000 2.623 417 Y HA 0.181 4.731 4.550 0.001 0.000 0.341 417 Y C 1.246 177.256 175.900 0.183 0.000 1.292 417 Y CA -0.451 57.728 58.100 0.131 0.000 1.840 417 Y CB -0.178 38.369 38.460 0.145 0.000 1.865 417 Y HN 0.176 nan 8.280 nan 0.000 0.440 418 Q N 1.655 121.527 119.800 0.120 0.000 2.524 418 Q HA 0.348 4.689 4.340 0.001 0.000 0.246 418 Q C -0.948 175.122 176.000 0.118 0.000 1.063 418 Q CA -0.187 55.620 55.803 0.007 0.000 0.945 418 Q CB 0.790 29.447 28.738 -0.134 0.000 1.292 418 Q HN 0.513 nan 8.270 nan 0.000 0.518 419 L N 0.008 121.287 121.223 0.093 0.000 2.641 419 L HA 0.273 4.614 4.340 0.001 0.000 0.261 419 L C -1.702 175.287 176.870 0.199 0.000 0.926 419 L CA -0.077 54.862 54.840 0.166 0.000 0.917 419 L CB 2.222 44.414 42.059 0.222 0.000 1.361 419 L HN 0.671 nan 8.230 nan 0.000 0.417 420 E N 3.552 123.865 120.200 0.190 0.000 2.156 420 E HA 0.391 4.741 4.350 0.001 0.000 0.279 420 E C -2.074 174.728 176.600 0.338 0.000 0.965 420 E CA -0.577 55.950 56.400 0.211 0.000 0.789 420 E CB 1.186 30.951 29.700 0.109 0.000 1.098 420 E HN 0.605 nan 8.360 nan 0.000 0.397 421 Y N 3.216 123.688 120.300 0.286 0.000 2.386 421 Y HA 0.138 4.689 4.550 0.001 0.000 0.334 421 Y C -0.748 175.321 175.900 0.283 0.000 1.002 421 Y CA -0.665 57.616 58.100 0.301 0.000 1.068 421 Y CB 1.215 39.910 38.460 0.393 0.000 1.203 421 Y HN 0.717 nan 8.280 nan 0.000 0.443 422 E N 4.093 124.167 120.200 -0.211 0.000 2.199 422 E HA -0.265 4.086 4.350 0.001 0.000 0.208 422 E C 0.955 177.574 176.600 0.032 0.000 1.310 422 E CA 0.988 57.312 56.400 -0.127 0.000 0.709 422 E CB -1.338 28.277 29.700 -0.141 0.000 1.127 422 E HN 1.237 nan 8.360 nan 0.000 0.354 423 G N 0.444 109.265 108.800 0.035 0.000 2.153 423 G HA2 -0.382 3.578 3.960 0.001 0.000 0.252 423 G HA3 -0.382 3.578 3.960 0.001 0.000 0.252 423 G C 0.132 175.054 174.900 0.036 0.000 0.994 423 G CA 0.717 45.838 45.100 0.035 0.000 0.698 423 G HN 0.480 nan 8.290 nan 0.000 0.521 424 R N -0.976 119.561 120.500 0.062 0.000 2.744 424 R HA 0.709 5.050 4.340 0.001 0.000 0.279 424 R C -1.224 175.010 176.300 -0.110 0.000 0.977 424 R CA -1.122 54.941 56.100 -0.062 0.000 0.906 424 R CB 1.087 31.298 30.300 -0.148 0.000 1.197 424 R HN 0.280 nan 8.270 nan 0.000 0.463 425 L N 4.062 125.163 121.223 -0.203 0.000 2.272 425 L HA 0.436 4.777 4.340 0.001 0.000 0.289 425 L C -1.642 175.011 176.870 -0.362 0.000 1.032 425 L CA -0.173 54.557 54.840 -0.183 0.000 0.810 425 L CB 0.784 42.780 42.059 -0.104 0.000 1.205 425 L HN 0.555 nan 8.230 nan 0.000 0.422 426 Y N 3.177 123.321 120.300 -0.261 0.000 2.457 426 Y HA 0.566 5.117 4.550 0.001 0.000 0.333 426 Y C -0.377 175.090 175.900 -0.723 0.000 1.119 426 Y CA -0.453 57.394 58.100 -0.421 0.000 1.143 426 Y CB 1.478 39.608 38.460 -0.550 0.000 1.230 426 Y HN 0.564 nan 8.280 nan 0.000 0.469 427 H N 1.440 120.231 119.070 -0.465 0.000 2.538 427 H HA 0.551 5.108 4.556 0.001 0.000 0.353 427 H C -1.556 173.378 175.328 -0.657 0.000 1.109 427 H CA -0.966 54.860 56.048 -0.369 0.000 1.192 427 H CB 1.077 30.733 29.762 -0.176 0.000 1.555 427 H HN 0.387 nan 8.280 nan 0.000 0.518 428 F N -0.159 119.906 119.950 0.192 0.000 2.556 428 F HA 0.387 4.915 4.527 0.001 0.000 0.314 428 F C 1.300 177.258 175.800 0.263 0.000 1.106 428 F CA -0.938 57.171 58.000 0.183 0.000 0.911 428 F CB 2.159 41.230 39.000 0.118 0.000 1.190 428 F HN 0.756 nan 8.300 nan 0.000 0.448 429 G N 0.441 109.484 108.800 0.405 0.000 3.026 429 G HA2 0.352 4.312 3.960 0.001 0.000 0.208 429 G HA3 0.352 4.312 3.960 0.001 0.000 0.208 429 G C -0.084 175.029 174.900 0.355 0.000 1.169 429 G CA 0.720 46.035 45.100 0.358 0.000 0.788 429 G HN 0.700 nan 8.290 nan 0.000 0.533 430 S N -1.987 113.829 115.700 0.194 0.000 2.627 430 S HA 0.296 4.767 4.470 0.001 0.000 0.268 430 S C 0.308 174.362 174.600 -0.910 0.000 1.130 430 S CA -0.122 57.873 58.200 -0.340 0.000 0.819 430 S CB 1.296 64.528 63.200 0.054 0.000 1.100 430 S HN -0.042 nan 8.310 nan 0.000 0.465 431 E N 1.342 120.796 120.200 -1.243 0.000 2.051 431 E HA 0.028 4.378 4.350 0.001 0.000 0.192 431 E C 2.154 178.560 176.600 -0.323 0.000 0.991 431 E CA 2.294 58.245 56.400 -0.748 0.000 0.799 431 E CB -0.704 28.779 29.700 -0.362 0.000 0.748 431 E HN 0.819 nan 8.360 nan 0.000 0.449 432 A N 0.857 123.368 122.820 -0.515 0.000 1.908 432 A HA -0.227 4.094 4.320 0.001 0.000 0.218 432 A C 1.963 179.320 177.584 -0.378 0.000 1.181 432 A CA 1.906 53.569 52.037 -0.622 0.000 0.627 432 A CB -0.729 16.924 19.000 -2.244 0.000 0.818 432 A HN 0.313 nan 8.150 nan 0.000 0.445 433 D N -0.872 119.326 120.400 -0.336 0.000 2.123 433 D HA -0.173 4.467 4.640 0.001 0.000 0.196 433 D C 2.122 178.144 176.300 -0.464 0.000 0.992 433 D CA 1.512 55.469 54.000 -0.072 0.000 0.833 433 D CB -0.246 40.706 40.800 0.254 0.000 0.954 433 D HN 0.547 nan 8.370 nan 0.000 0.455 434 R N -0.376 119.715 120.500 -0.682 0.000 2.115 434 R HA -0.155 4.186 4.340 0.001 0.000 0.230 434 R C 2.224 178.220 176.300 -0.507 0.000 1.111 434 R CA 1.033 56.414 56.100 -1.199 0.000 0.976 434 R CB -0.332 29.621 30.300 -0.578 0.000 0.870 434 R HN 0.207 nan 8.270 nan 0.000 0.445 435 W N 0.662 121.750 121.300 -0.353 0.000 2.379 435 W HA -0.191 4.470 4.660 0.001 0.000 0.307 435 W C 1.937 178.386 176.519 -0.116 0.000 1.200 435 W CA 1.105 58.352 57.345 -0.164 0.000 1.297 435 W CB -0.726 28.750 29.460 0.026 0.000 1.140 435 W HN 0.081 nan 8.180 nan 0.000 0.507 436 C N 0.249 119.413 119.300 -0.228 0.000 2.391 436 C HA -0.253 4.207 4.460 0.001 0.000 0.276 436 C C 2.624 177.348 174.990 -0.444 0.000 1.217 436 C CA 1.471 60.244 59.018 -0.409 0.000 1.766 436 C CB -1.956 25.679 27.740 -0.174 0.000 2.046 436 C HN 0.500 nan 8.230 nan 0.000 0.475 437 F N 1.151 120.733 119.950 -0.614 0.000 2.084 437 F HA -0.181 4.347 4.527 0.001 0.000 0.296 437 F C 2.644 178.199 175.800 -0.408 0.000 1.111 437 F CA 1.848 59.512 58.000 -0.561 0.000 1.224 437 F CB -0.552 38.081 39.000 -0.612 0.000 0.991 437 F HN 0.257 nan 8.300 nan 0.000 0.471 438 Q N 0.405 120.119 119.800 -0.143 0.000 2.124 438 Q HA -0.183 4.158 4.340 0.001 0.000 0.202 438 Q C 2.288 178.131 176.000 -0.263 0.000 0.977 438 Q CA 2.076 57.784 55.803 -0.158 0.000 0.850 438 Q CB -0.454 28.248 28.738 -0.060 0.000 0.901 438 Q HN 0.728 nan 8.270 nan 0.000 0.429 439 I N -2.232 118.090 120.570 -0.414 0.000 3.001 439 I HA -0.008 4.163 4.170 0.001 0.000 0.268 439 I C 0.259 176.212 176.117 -0.274 0.000 1.267 439 I CA 0.839 61.913 61.300 -0.375 0.000 1.472 439 I CB 0.218 37.841 38.000 -0.628 0.000 1.089 439 I HN -0.079 nan 8.210 nan 0.000 0.468 440 D N 1.001 121.228 120.400 -0.288 0.000 3.285 440 D HA 0.167 4.808 4.640 0.001 0.000 0.273 440 D C -1.686 174.421 176.300 -0.321 0.000 1.295 440 D CA -1.372 52.491 54.000 -0.229 0.000 0.762 440 D CB 0.695 41.402 40.800 -0.155 0.000 1.379 440 D HN 0.024 nan 8.370 nan 0.000 0.612 441 P HA -0.139 nan 4.420 nan 0.000 0.218 441 P C 0.977 177.969 177.300 -0.513 0.000 1.148 441 P CA 0.884 63.444 63.100 -0.900 0.000 0.822 441 P CB 0.529 31.692 31.700 -0.896 0.000 0.784 442 E N -0.014 120.026 120.200 -0.267 0.000 2.333 442 E HA -0.168 4.182 4.350 0.001 0.000 0.198 442 E C 2.152 178.633 176.600 -0.197 0.000 1.007 442 E CA 0.664 56.977 56.400 -0.146 0.000 0.845 442 E CB -0.509 29.135 29.700 -0.093 0.000 0.766 442 E HN 0.413 nan 8.360 nan 0.000 0.507 443 R N -0.421 119.875 120.500 -0.340 0.000 2.200 443 R HA -0.057 4.284 4.340 0.001 0.000 0.208 443 R C 0.850 176.755 176.300 -0.657 0.000 1.033 443 R CA 0.784 56.558 56.100 -0.545 0.000 1.000 443 R CB 0.223 30.053 30.300 -0.783 0.000 0.906 443 R HN 0.152 nan 8.270 nan 0.000 0.462 444 Y N -1.195 118.978 120.300 -0.212 0.000 2.448 444 Y HA 0.308 4.859 4.550 0.001 0.000 0.257 444 Y C 1.577 177.571 175.900 0.156 0.000 1.089 444 Y CA -0.703 57.377 58.100 -0.033 0.000 1.245 444 Y CB 0.184 38.648 38.460 0.005 0.000 1.282 444 Y HN -0.148 nan 8.280 nan 0.000 0.529 445 K N 1.785 122.279 120.400 0.157 0.000 2.005 445 K HA -0.303 4.018 4.320 0.001 0.000 0.229 445 K C 1.208 178.099 176.600 0.486 0.000 1.050 445 K CA 2.521 59.018 56.287 0.350 0.000 0.994 445 K CB -0.309 32.336 32.500 0.241 0.000 0.736 445 K HN 0.465 nan 8.250 nan 0.000 0.448 446 N N 0.096 118.996 118.700 0.333 0.000 2.362 446 N HA -0.090 4.651 4.740 0.001 0.000 0.211 446 N C -0.083 175.601 175.510 0.291 0.000 1.170 446 N CA 0.142 53.367 53.050 0.292 0.000 0.828 446 N CB -0.243 38.361 38.487 0.194 0.000 1.034 446 N HN 0.300 nan 8.380 nan 0.000 0.475 447 H N 0.521 119.757 119.070 0.278 0.000 2.547 447 H HA 0.311 4.868 4.556 0.001 0.000 0.362 447 H C -0.742 174.736 175.328 0.251 0.000 1.181 447 H CA 0.229 56.425 56.048 0.246 0.000 1.376 447 H CB 1.151 31.078 29.762 0.274 0.000 1.488 447 H HN 0.285 nan 8.280 nan 0.000 0.583 448 T N 1.997 116.266 114.554 -0.475 0.000 2.881 448 T HA 0.269 4.620 4.350 0.001 0.000 0.290 448 T C -0.175 174.374 174.700 -0.253 0.000 1.000 448 T CA -1.233 60.750 62.100 -0.196 0.000 0.978 448 T CB 1.235 70.054 68.868 -0.082 0.000 0.997 448 T HN 0.727 nan 8.240 nan 0.000 0.443 449 N N 2.392 121.110 118.700 0.028 0.000 2.379 449 N HA 0.274 5.014 4.740 0.001 0.000 0.260 449 N C 1.109 176.678 175.510 0.099 0.000 1.254 449 N CA -1.112 52.016 53.050 0.130 0.000 0.958 449 N CB 0.207 38.797 38.487 0.172 0.000 1.208 449 N HN 0.370 nan 8.380 nan 0.000 0.532 450 L N 0.184 121.496 121.223 0.148 0.000 2.043 450 L HA -0.137 4.204 4.340 0.001 0.000 0.212 450 L C 1.851 178.775 176.870 0.091 0.000 1.075 450 L CA 1.480 56.413 54.840 0.155 0.000 0.752 450 L CB -0.573 41.601 42.059 0.191 0.000 0.891 450 L HN 0.606 nan 8.230 nan 0.000 0.432 451 V N -0.579 119.354 119.914 0.033 0.000 2.358 451 V HA -0.267 3.853 4.120 0.001 0.000 0.246 451 V C 2.253 178.383 176.094 0.060 0.000 1.047 451 V CA 1.838 64.145 62.300 0.011 0.000 1.035 451 V CB -0.738 31.035 31.823 -0.084 0.000 0.658 451 V HN 0.447 nan 8.190 nan 0.000 0.452 452 D N 0.149 120.565 120.400 0.026 0.000 2.104 452 D HA -0.186 4.455 4.640 0.001 0.000 0.194 452 D C 2.385 178.696 176.300 0.018 0.000 0.994 452 D CA 1.426 55.433 54.000 0.012 0.000 0.830 452 D CB -0.220 40.581 40.800 0.002 0.000 0.959 452 D HN 0.426 nan 8.370 nan 0.000 0.452 453 R N -0.345 120.169 120.500 0.024 0.000 2.081 453 R HA -0.110 4.230 4.340 0.001 0.000 0.235 453 R C 2.342 178.620 176.300 -0.037 0.000 1.131 453 R CA 0.674 56.765 56.100 -0.015 0.000 0.960 453 R CB -0.465 29.825 30.300 -0.017 0.000 0.856 453 R HN 0.170 nan 8.270 nan 0.000 0.436 454 F N 1.600 121.474 119.950 -0.126 0.000 2.075 454 F HA -0.142 4.385 4.527 0.001 0.000 0.297 454 F C 1.925 177.672 175.800 -0.089 0.000 1.113 454 F CA 1.454 59.381 58.000 -0.123 0.000 1.218 454 F CB -0.171 38.774 39.000 -0.091 0.000 0.984 454 F HN -0.111 nan 8.300 nan 0.000 0.472 455 L N -0.131 121.146 121.223 0.091 0.000 2.265 455 L HA -0.199 4.141 4.340 0.001 0.000 0.215 455 L C 1.951 178.775 176.870 -0.077 0.000 1.117 455 L CA 1.289 56.131 54.840 0.003 0.000 0.782 455 L CB -0.629 41.455 42.059 0.041 0.000 0.914 455 L HN 0.118 nan 8.230 nan 0.000 0.441 456 K N -0.139 120.213 120.400 -0.080 0.000 2.444 456 K HA 0.114 4.434 4.320 0.001 0.000 0.193 456 K C 1.176 177.707 176.600 -0.116 0.000 1.024 456 K CA 0.526 56.766 56.287 -0.079 0.000 1.077 456 K CB 0.329 32.799 32.500 -0.050 0.000 0.833 456 K HN 0.366 nan 8.250 nan 0.000 0.517 457 G N 1.835 110.520 108.800 -0.193 0.000 2.143 457 G HA2 -0.282 3.679 3.960 0.001 0.000 0.249 457 G HA3 -0.282 3.679 3.960 0.001 0.000 0.249 457 G C 0.361 175.151 174.900 -0.183 0.000 0.981 457 G CA 0.337 45.309 45.100 -0.214 0.000 0.665 457 G HN 0.469 nan 8.290 nan 0.000 0.528 458 E N -0.633 119.458 120.200 -0.180 0.000 2.481 458 E HA 0.190 4.540 4.350 0.001 0.000 0.195 458 E C 0.851 177.299 176.600 -0.254 0.000 1.047 458 E CA 0.274 56.583 56.400 -0.152 0.000 0.867 458 E CB 0.430 30.070 29.700 -0.100 0.000 0.858 458 E HN 0.624 nan 8.360 nan 0.000 0.513 459 I N 2.500 122.869 120.570 -0.336 0.000 2.359 459 I HA 0.165 4.335 4.170 0.001 0.000 0.284 459 I C -0.419 175.580 176.117 -0.197 0.000 1.018 459 I CA -0.552 60.537 61.300 -0.350 0.000 1.173 459 I CB 0.975 38.784 38.000 -0.318 0.000 1.326 459 I HN -0.166 nan 8.210 nan 0.000 0.462 460 Q N 6.312 126.066 119.800 -0.078 0.000 2.347 460 Q HA 0.524 4.865 4.340 0.001 0.000 0.271 460 Q C -2.366 173.649 176.000 0.023 0.000 1.064 460 Q CA -1.848 53.928 55.803 -0.044 0.000 0.800 460 Q CB 2.225 30.938 28.738 -0.041 0.000 1.304 460 Q HN 0.356 nan 8.270 nan 0.000 0.438 461 P HA 0.146 nan 4.420 nan 0.000 0.269 461 P C -0.705 176.591 177.300 -0.007 0.000 1.215 461 P CA -0.144 62.958 63.100 0.004 0.000 0.780 461 P CB 0.580 32.298 31.700 0.028 0.000 0.898 462 A N 2.041 124.816 122.820 -0.074 0.000 3.118 462 A HA 0.369 4.690 4.320 0.001 0.000 0.256 462 A C -0.162 177.486 177.584 0.108 0.000 1.667 462 A CA -0.080 51.847 52.037 -0.183 0.000 1.338 462 A CB -1.335 17.417 19.000 -0.413 0.000 1.127 462 A HN 0.605 nan 8.150 nan 0.000 0.634 463 D N -1.150 119.402 120.400 0.252 0.000 2.677 463 D HA 0.290 4.931 4.640 0.001 0.000 0.298 463 D C 0.728 177.163 176.300 0.224 0.000 1.250 463 D CA -0.789 53.367 54.000 0.260 0.000 0.888 463 D CB 0.013 40.891 40.800 0.129 0.000 1.397 463 D HN -0.135 nan 8.370 nan 0.000 0.461 464 L N 0.253 121.551 121.223 0.125 0.000 1.990 464 L HA -0.139 4.201 4.340 0.001 0.000 0.213 464 L C 2.569 179.497 176.870 0.096 0.000 1.072 464 L CA 2.692 57.580 54.840 0.081 0.000 0.755 464 L CB -2.097 39.981 42.059 0.032 0.000 0.889 464 L HN 0.758 nan 8.230 nan 0.000 0.432 465 A N 0.023 122.892 122.820 0.081 0.000 1.940 465 A HA -0.131 4.190 4.320 0.001 0.000 0.219 465 A C 2.468 180.118 177.584 0.110 0.000 1.176 465 A CA 1.856 53.940 52.037 0.078 0.000 0.631 465 A CB -1.141 17.893 19.000 0.057 0.000 0.814 465 A HN 0.468 nan 8.150 nan 0.000 0.446 466 G N -0.823 108.053 108.800 0.127 0.000 2.408 466 G HA2 0.075 4.036 3.960 0.001 0.000 0.217 466 G HA3 0.075 4.036 3.960 0.001 0.000 0.217 466 G C 1.720 176.744 174.900 0.207 0.000 1.150 466 G CA 1.251 46.439 45.100 0.147 0.000 0.776 466 G HN 0.787 nan 8.290 nan 0.000 0.542 467 A N 0.584 123.542 122.820 0.229 0.000 1.933 467 A HA 0.110 4.431 4.320 0.001 0.000 0.218 467 A C 2.416 180.169 177.584 0.281 0.000 1.175 467 A CA 1.145 53.343 52.037 0.268 0.000 0.628 467 A CB -0.374 18.742 19.000 0.194 0.000 0.814 467 A HN 0.352 nan 8.150 nan 0.000 0.444 468 L N -1.250 120.097 121.223 0.206 0.000 2.046 468 L HA -0.201 4.139 4.340 0.001 0.000 0.208 468 L C 2.799 179.790 176.870 0.202 0.000 1.077 468 L CA 1.126 56.078 54.840 0.187 0.000 0.747 468 L CB -0.434 41.699 42.059 0.123 0.000 0.896 468 L HN 0.315 nan 8.230 nan 0.000 0.432 469 M N -1.359 118.354 119.600 0.190 0.000 2.175 469 M HA -0.223 4.258 4.480 0.001 0.000 0.264 469 M C 2.317 178.741 176.300 0.207 0.000 1.063 469 M CA 1.593 56.998 55.300 0.174 0.000 1.119 469 M CB -1.065 31.622 32.600 0.144 0.000 1.377 469 M HN 0.201 nan 8.290 nan 0.000 0.415 470 Y N 0.910 121.287 120.300 0.129 0.000 2.256 470 Y HA -0.138 4.413 4.550 0.001 0.000 0.288 470 Y C 1.939 177.931 175.900 0.154 0.000 1.155 470 Y CA 1.616 59.794 58.100 0.130 0.000 1.203 470 Y CB -0.225 38.321 38.460 0.142 0.000 0.980 470 Y HN 0.151 nan 8.280 nan 0.000 0.530 471 M N -0.748 118.980 119.600 0.213 0.000 2.563 471 M HA 0.052 4.533 4.480 0.001 0.000 0.231 471 M C 0.659 177.098 176.300 0.230 0.000 1.136 471 M CA 0.793 56.207 55.300 0.191 0.000 1.026 471 M CB 0.128 32.919 32.600 0.319 0.000 1.597 471 M HN 0.135 nan 8.290 nan 0.000 0.495 472 S N 0.843 116.646 115.700 0.173 0.000 3.561 472 S HA -0.120 4.351 4.470 0.001 0.000 0.318 472 S C 0.001 174.823 174.600 0.369 0.000 1.181 472 S CA 0.462 58.782 58.200 0.201 0.000 0.916 472 S CB -2.025 61.228 63.200 0.089 0.000 0.966 472 S HN 0.514 nan 8.310 nan 0.000 0.550 473 L N 1.105 122.513 121.223 0.309 0.000 2.289 473 L HA 0.612 4.953 4.340 0.001 0.000 0.285 473 L C 0.496 177.453 176.870 0.143 0.000 1.049 473 L CA -0.144 54.837 54.840 0.236 0.000 0.804 473 L CB 1.254 43.396 42.059 0.140 0.000 1.195 473 L HN 0.205 nan 8.230 nan 0.000 0.428 474 E N 3.047 123.313 120.200 0.110 0.000 2.416 474 E HA 0.424 4.774 4.350 0.001 0.000 0.273 474 E C -2.573 174.044 176.600 0.028 0.000 0.935 474 E CA -2.127 54.316 56.400 0.072 0.000 0.784 474 E CB 2.110 31.863 29.700 0.088 0.000 1.301 474 E HN 0.287 nan 8.360 nan 0.000 0.454 475 P HA -0.025 nan 4.420 nan 0.000 0.265 475 P C 0.486 177.786 177.300 -0.001 0.000 1.187 475 P CA 1.296 64.392 63.100 -0.007 0.000 0.766 475 P CB 0.460 32.159 31.700 -0.002 0.000 0.820 476 G N 1.053 109.841 108.800 -0.020 0.000 2.424 476 G HA2 -0.264 3.697 3.960 0.001 0.000 0.207 476 G HA3 -0.264 3.697 3.960 0.001 0.000 0.207 476 G C 0.735 175.613 174.900 -0.036 0.000 1.061 476 G CA 0.318 45.412 45.100 -0.009 0.000 0.657 476 G HN 0.551 nan 8.290 nan 0.000 0.508 477 V N -1.203 118.674 119.914 -0.063 0.000 3.379 477 V HA 0.575 4.695 4.120 0.001 0.000 0.249 477 V C 1.548 177.506 176.094 -0.227 0.000 1.184 477 V CA 1.021 63.224 62.300 -0.163 0.000 1.106 477 V CB -0.164 31.519 31.823 -0.233 0.000 0.826 477 V HN 0.352 nan 8.190 nan 0.000 0.465 478 M N 2.738 122.238 119.600 -0.166 0.000 2.290 478 M HA 0.306 4.787 4.480 0.001 0.000 0.356 478 M C 0.968 177.136 176.300 -0.220 0.000 1.448 478 M CA 1.078 56.269 55.300 -0.182 0.000 0.993 478 M CB 0.136 32.669 32.600 -0.112 0.000 1.934 478 M HN 0.470 nan 8.290 nan 0.000 0.461 479 G N 2.262 110.878 108.800 -0.308 0.000 2.527 479 G HA2 0.293 4.253 3.960 0.001 0.000 0.248 479 G HA3 0.293 4.253 3.960 0.001 0.000 0.248 479 G C -0.806 173.914 174.900 -0.299 0.000 1.231 479 G CA -0.301 44.590 45.100 -0.349 0.000 0.838 479 G HN 0.718 nan 8.290 nan 0.000 0.570 480 D N -0.769 119.472 120.400 -0.265 0.000 2.744 480 D HA 0.218 4.859 4.640 0.001 0.000 0.304 480 D C -0.924 175.227 176.300 -0.248 0.000 1.179 480 D CA -0.666 53.189 54.000 -0.243 0.000 1.024 480 D CB 2.079 42.800 40.800 -0.132 0.000 1.453 480 D HN 0.319 nan 8.370 nan 0.000 0.529 481 D N -0.135 120.092 120.400 -0.287 0.000 2.487 481 D HA 0.277 4.918 4.640 0.001 0.000 0.243 481 D C 1.028 177.250 176.300 -0.130 0.000 1.154 481 D CA 0.483 54.368 54.000 -0.192 0.000 0.876 481 D CB 1.030 41.482 40.800 -0.581 0.000 1.161 481 D HN 0.379 nan 8.370 nan 0.000 0.478 482 A N 4.035 126.822 122.820 -0.055 0.000 1.884 482 A HA -0.252 4.069 4.320 0.001 0.000 0.219 482 A C 1.398 178.851 177.584 -0.218 0.000 1.197 482 A CA 1.621 53.570 52.037 -0.148 0.000 0.637 482 A CB -0.697 18.188 19.000 -0.192 0.000 0.827 482 A HN 0.831 nan 8.150 nan 0.000 0.450 483 H N -1.242 117.844 119.070 0.027 0.000 2.610 483 H HA 0.292 4.849 4.556 0.001 0.000 0.302 483 H C -0.070 175.292 175.328 0.056 0.000 1.063 483 H CA 0.287 56.375 56.048 0.066 0.000 1.159 483 H CB -0.114 29.729 29.762 0.136 0.000 1.427 483 H HN 0.571 nan 8.280 nan 0.000 0.553 484 D N 0.345 120.760 120.400 0.025 0.000 2.692 484 D HA -0.319 4.322 4.640 0.001 0.000 0.233 484 D C -0.695 175.682 176.300 0.128 0.000 1.172 484 D CA 0.624 54.633 54.000 0.014 0.000 0.636 484 D CB -1.488 39.361 40.800 0.081 0.000 1.028 484 D HN 0.574 nan 8.370 nan 0.000 0.419 485 Y N -3.093 117.311 120.300 0.172 0.000 4.079 485 Y HA -0.323 4.228 4.550 0.001 0.000 0.223 485 Y C 1.639 177.358 175.900 -0.302 0.000 1.155 485 Y CA 1.086 59.082 58.100 -0.173 0.000 1.805 485 Y CB -2.099 36.259 38.460 -0.170 0.000 1.571 485 Y HN 0.355 nan 8.280 nan 0.000 0.654 486 E N 0.853 121.093 120.200 0.068 0.000 2.153 486 E HA -0.160 4.191 4.350 0.001 0.000 0.194 486 E C 1.815 178.435 176.600 0.033 0.000 0.988 486 E CA 1.863 58.304 56.400 0.069 0.000 0.811 486 E CB -0.374 29.416 29.700 0.151 0.000 0.746 486 E HN 0.661 nan 8.360 nan 0.000 0.466 487 W N -0.168 121.183 121.300 0.086 0.000 2.848 487 W HA 0.045 4.705 4.660 0.001 0.000 0.241 487 W C 0.768 177.396 176.519 0.182 0.000 1.289 487 W CA 0.403 57.789 57.345 0.068 0.000 1.396 487 W CB -0.743 28.732 29.460 0.026 0.000 1.138 487 W HN -0.088 nan 8.180 nan 0.000 0.677 488 V N 1.901 121.560 119.914 -0.426 0.000 2.649 488 V HA -0.180 3.940 4.120 0.001 0.000 0.248 488 V C 2.427 178.523 176.094 0.003 0.000 1.054 488 V CA 1.557 63.674 62.300 -0.306 0.000 1.073 488 V CB -0.639 30.890 31.823 -0.490 0.000 0.699 488 V HN 0.030 nan 8.190 nan 0.000 0.463 489 K N 1.261 121.641 120.400 -0.033 0.000 2.211 489 K HA -0.124 4.197 4.320 0.001 0.000 0.204 489 K C 2.007 178.597 176.600 -0.017 0.000 1.047 489 K CA 1.425 57.705 56.287 -0.011 0.000 0.935 489 K CB -0.356 32.135 32.500 -0.015 0.000 0.728 489 K HN 0.477 nan 8.250 nan 0.000 0.452 490 A N 0.330 123.116 122.820 -0.057 0.000 2.239 490 A HA -0.079 4.241 4.320 0.001 0.000 0.209 490 A C 0.225 177.585 177.584 -0.374 0.000 1.171 490 A CA 0.679 52.584 52.037 -0.220 0.000 0.768 490 A CB -0.236 18.579 19.000 -0.307 0.000 0.790 490 A HN 0.262 nan 8.150 nan 0.000 0.478 491 Y N -0.050 120.271 120.300 0.036 0.000 2.631 491 Y HA 0.373 4.923 4.550 0.001 0.000 0.361 491 Y C 0.586 176.497 175.900 0.019 0.000 0.941 491 Y CA -0.657 57.469 58.100 0.043 0.000 1.327 491 Y CB -0.054 38.445 38.460 0.066 0.000 1.299 491 Y HN 0.342 nan 8.280 nan 0.000 0.578 492 Q N 0.000 119.854 119.800 0.090 0.000 2.315 492 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 492 Q CA 0.000 55.838 55.803 0.059 0.000 1.022 492 Q CB 0.000 28.780 28.738 0.071 0.000 1.108 492 Q HN 0.000 nan 8.270 nan 0.000 0.481