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 1v08_1_B DATA FIRST_RESID 12 DATA SEQUENCE MLSPSEIPQR DWFPSDFTFG AATSAYQIEG AWNEDGKGES NWDHFCHNHP DATA SEQUENCE ERILDGSNSD IGANSYHMYK TDVRLLKEMG MDAYRFSISW PRILPKGTKE DATA SEQUENCE GGINPDGIKY YRNLINLLLE NGIEPYVTIF HWDVPQALEE KYGGFLDKSH DATA SEQUENCE KSIVEDYTYF AKVCFDNFGD KVKNWLTFND PQTFTSFSYG TGVFAPGRcS DATA SEQUENCE PGLDcAYPTG NSLVEPYTAG HNILLAHAEA VDLYNKHYKR DDTRIGLAFD DATA SEQUENCE VMGRVPYGTS FLDKQAEERS WDINLGWFLE PVVRGDYPFS MRSLARERLP DATA SEQUENCE FFKDEQKEKL AGSYNMLGLN YYTSRFSKNI DISPNYSPVL NTDDAYASQE DATA SEQUENCE VNGPDGKPIG PPMGNPWIYM YPEGLKDLLM IMKNKYGNPP IYITENGIGD DATA SEQUENCE VDTKETPLPM EAALNDYKRL DYIQRHIATL KESIDLGSNV QGYFAWSLLD DATA SEQUENCE NFEWFAGFTE RYGIVYVDRN NNCTRYMKES AKWLKEFNTA K 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 12 M HA 0.000 nan 4.480 nan 0.000 0.227 12 M C 0.000 176.281 176.300 -0.032 0.000 1.140 12 M CA 0.000 55.277 55.300 -0.038 0.000 0.988 12 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 13 L N 3.274 124.471 121.223 -0.044 0.000 2.456 13 L HA 0.378 4.719 4.340 0.001 0.000 0.272 13 L C 1.020 177.882 176.870 -0.014 0.000 1.189 13 L CA -0.063 54.760 54.840 -0.027 0.000 0.846 13 L CB 1.170 43.205 42.059 -0.040 0.000 1.111 13 L HN 0.571 nan 8.230 nan 0.000 0.475 14 S N 2.697 118.401 115.700 0.008 0.000 2.584 14 S HA 0.146 4.617 4.470 0.001 0.000 0.270 14 S C -1.762 172.860 174.600 0.038 0.000 1.346 14 S CA -1.071 57.141 58.200 0.019 0.000 1.018 14 S CB 0.750 63.965 63.200 0.025 0.000 0.899 14 S HN 0.443 nan 8.310 nan 0.000 0.542 15 P HA -0.116 nan 4.420 nan 0.000 0.217 15 P C 1.553 178.913 177.300 0.100 0.000 1.148 15 P CA 1.701 64.839 63.100 0.063 0.000 0.828 15 P CB -0.213 31.520 31.700 0.055 0.000 0.783 16 S N -1.575 114.188 115.700 0.105 0.000 2.527 16 S HA 0.012 4.483 4.470 0.001 0.000 0.222 16 S C 1.632 176.370 174.600 0.231 0.000 0.985 16 S CA 0.497 58.788 58.200 0.153 0.000 0.921 16 S CB -0.694 62.567 63.200 0.102 0.000 0.772 16 S HN 0.205 nan 8.310 nan 0.000 0.529 17 E N 0.386 120.698 120.200 0.187 0.000 2.452 17 E HA 0.210 4.560 4.350 0.001 0.000 0.197 17 E C -0.286 176.449 176.600 0.224 0.000 1.022 17 E CA -0.230 56.312 56.400 0.236 0.000 0.890 17 E CB 0.212 29.983 29.700 0.119 0.000 0.918 17 E HN 0.441 nan 8.360 nan 0.000 0.496 18 I N 3.894 124.528 120.570 0.106 0.000 2.598 18 I HA 0.034 4.204 4.170 0.001 0.000 0.284 18 I C -2.100 173.879 176.117 -0.231 0.000 1.140 18 I CA -2.634 58.656 61.300 -0.017 0.000 1.420 18 I CB -0.526 37.499 38.000 0.042 0.000 1.387 18 I HN -0.167 nan 8.210 nan 0.000 0.553 19 P HA 0.112 nan 4.420 nan 0.000 0.268 19 P C -0.641 176.365 177.300 -0.490 0.000 1.205 19 P CA -0.233 62.251 63.100 -1.027 0.000 0.771 19 P CB 0.746 32.267 31.700 -0.299 0.000 0.858 20 Q N 1.752 120.911 119.800 -1.068 0.000 2.348 20 Q HA 0.278 4.619 4.340 0.001 0.000 0.271 20 Q C 0.972 176.752 176.000 -0.366 0.000 1.067 20 Q CA -0.812 54.709 55.803 -0.470 0.000 0.839 20 Q CB 1.918 30.433 28.738 -0.373 0.000 1.354 20 Q HN 0.265 nan 8.270 nan 0.000 0.447 21 R N 1.676 121.701 120.500 -0.792 0.000 2.120 21 R HA -0.147 4.194 4.340 0.001 0.000 0.234 21 R C 0.926 177.185 176.300 -0.069 0.000 1.123 21 R CA 2.147 57.782 56.100 -0.774 0.000 0.975 21 R CB -0.209 29.498 30.300 -0.989 0.000 0.866 21 R HN 0.706 nan 8.270 nan 0.000 0.446 22 D N -1.595 118.791 120.400 -0.023 0.000 2.363 22 D HA -0.131 4.510 4.640 0.001 0.000 0.226 22 D C 0.912 177.369 176.300 0.261 0.000 1.020 22 D CA 0.228 54.297 54.000 0.116 0.000 0.892 22 D CB -0.575 40.269 40.800 0.074 0.000 0.900 22 D HN 0.208 nan 8.370 nan 0.000 0.531 23 W N 0.316 121.612 121.300 -0.007 0.000 2.465 23 W HA 0.161 4.821 4.660 0.001 0.000 0.268 23 W C 0.234 176.508 176.519 -0.409 0.000 1.242 23 W CA -0.250 56.960 57.345 -0.224 0.000 1.248 23 W CB -0.825 28.414 29.460 -0.368 0.000 1.118 23 W HN -0.128 nan 8.180 nan 0.000 0.587 24 F N 0.216 120.265 119.950 0.166 0.000 2.523 24 F HA 0.427 4.954 4.527 0.001 0.000 0.329 24 F C -1.516 174.328 175.800 0.074 0.000 1.061 24 F CA -2.988 55.014 58.000 0.004 0.000 0.967 24 F CB -0.320 38.571 39.000 -0.182 0.000 1.218 24 F HN -0.492 nan 8.300 nan 0.000 0.480 25 P HA 0.014 nan 4.420 nan 0.000 0.269 25 P C 0.491 177.959 177.300 0.280 0.000 1.211 25 P CA 0.158 63.413 63.100 0.259 0.000 0.781 25 P CB 0.521 32.396 31.700 0.291 0.000 0.877 26 S N 0.318 116.135 115.700 0.195 0.000 2.402 26 S HA -0.176 4.295 4.470 0.001 0.000 0.229 26 S C 1.116 175.826 174.600 0.184 0.000 1.021 26 S CA 1.378 59.677 58.200 0.165 0.000 0.974 26 S CB -0.865 62.401 63.200 0.110 0.000 0.800 26 S HN 0.615 nan 8.310 nan 0.000 0.484 27 D N -0.024 120.490 120.400 0.190 0.000 2.319 27 D HA 0.138 4.779 4.640 0.001 0.000 0.230 27 D C 0.045 176.460 176.300 0.191 0.000 1.094 27 D CA -0.667 53.434 54.000 0.169 0.000 0.856 27 D CB -0.802 40.078 40.800 0.134 0.000 0.915 27 D HN 0.402 nan 8.370 nan 0.000 0.517 28 F N 1.294 121.307 119.950 0.105 0.000 2.496 28 F HA 0.284 4.812 4.527 0.001 0.000 0.344 28 F C 0.485 176.269 175.800 -0.026 0.000 1.155 28 F CA 0.394 58.415 58.000 0.035 0.000 1.302 28 F CB 0.991 40.034 39.000 0.071 0.000 1.159 28 F HN -0.269 nan 8.300 nan 0.000 0.595 29 T N 5.845 120.170 114.554 -0.381 0.000 2.792 29 T HA 0.465 4.816 4.350 0.001 0.000 0.280 29 T C -1.218 173.166 174.700 -0.526 0.000 0.990 29 T CA -0.211 61.729 62.100 -0.268 0.000 0.960 29 T CB 0.344 69.097 68.868 -0.192 0.000 0.939 29 T HN 0.247 nan 8.240 nan 0.000 0.439 30 F N 1.717 121.607 119.950 -0.100 0.000 2.482 30 F HA 0.744 5.271 4.527 0.001 0.000 0.331 30 F C 0.825 176.447 175.800 -0.298 0.000 1.115 30 F CA -0.370 57.554 58.000 -0.126 0.000 0.955 30 F CB 2.166 41.210 39.000 0.074 0.000 1.136 30 F HN 0.740 nan 8.300 nan 0.000 0.452 31 G N 0.536 109.123 108.800 -0.356 0.000 2.827 31 G HA2 0.819 4.779 3.960 0.001 0.000 0.296 31 G HA3 0.819 4.779 3.960 0.001 0.000 0.296 31 G C -1.999 172.924 174.900 0.040 0.000 1.362 31 G CA -0.642 44.301 45.100 -0.262 0.000 0.809 31 G HN 0.842 nan 8.290 nan 0.000 0.522 32 A N -1.604 121.380 122.820 0.273 0.000 2.435 32 A HA 1.027 5.347 4.320 0.001 0.000 0.296 32 A C -0.402 177.450 177.584 0.446 0.000 1.147 32 A CA -0.048 52.176 52.037 0.312 0.000 0.775 32 A CB 1.576 20.687 19.000 0.186 0.000 1.340 32 A HN 2.271 nan 8.150 nan 0.000 0.427 33 A N -0.187 122.768 122.820 0.227 0.000 2.475 33 A HA 0.932 5.253 4.320 0.001 0.000 0.301 33 A C -0.194 177.255 177.584 -0.225 0.000 1.059 33 A CA 0.132 52.227 52.037 0.097 0.000 0.710 33 A CB 1.365 20.508 19.000 0.238 0.000 1.288 33 A HN 2.089 nan 8.150 nan 0.000 0.408 34 T N -1.573 112.878 114.554 -0.170 0.000 2.778 34 T HA 0.868 5.218 4.350 0.001 0.000 0.293 34 T C -0.193 174.490 174.700 -0.029 0.000 1.144 34 T CA -0.038 61.899 62.100 -0.271 0.000 1.010 34 T CB 1.287 70.111 68.868 -0.073 0.000 1.325 34 T HN 2.025 nan 8.240 nan 0.000 0.515 35 S N -0.731 114.928 115.700 -0.069 0.000 2.595 35 S HA 0.749 5.220 4.470 0.001 0.000 0.281 35 S C 1.280 175.823 174.600 -0.095 0.000 1.117 35 S CA -0.323 57.720 58.200 -0.261 0.000 0.873 35 S CB 1.368 63.994 63.200 -0.956 0.000 1.108 35 S HN 1.375 nan 8.310 nan 0.000 0.477 36 A N 1.364 124.191 122.820 0.011 0.000 1.858 36 A HA 0.001 4.322 4.320 0.001 0.000 0.216 36 A C 1.858 179.495 177.584 0.088 0.000 1.190 36 A CA 1.716 53.842 52.037 0.148 0.000 0.617 36 A CB -1.589 17.575 19.000 0.272 0.000 0.827 36 A HN 1.126 nan 8.150 nan 0.000 0.443 37 Y N 0.747 121.033 120.300 -0.023 0.000 2.274 37 Y HA -0.205 4.345 4.550 0.001 0.000 0.290 37 Y C 2.457 178.204 175.900 -0.255 0.000 1.145 37 Y CA 2.118 60.161 58.100 -0.095 0.000 1.203 37 Y CB -0.275 38.153 38.460 -0.053 0.000 0.984 37 Y HN 0.467 nan 8.280 nan 0.000 0.533 38 Q N -0.530 119.042 119.800 -0.381 0.000 2.172 38 Q HA -0.047 4.293 4.340 0.001 0.000 0.200 38 Q C 2.008 177.850 176.000 -0.263 0.000 0.964 38 Q CA 1.821 57.357 55.803 -0.445 0.000 0.855 38 Q CB 0.027 28.514 28.738 -0.418 0.000 0.918 38 Q HN 0.766 nan 8.270 nan 0.000 0.444 39 I N -4.068 116.405 120.570 -0.162 0.000 4.139 39 I HA 0.155 4.325 4.170 0.001 0.000 0.320 39 I C 1.514 177.609 176.117 -0.036 0.000 1.290 39 I CA 0.101 61.360 61.300 -0.069 0.000 1.253 39 I CB 0.181 38.169 38.000 -0.020 0.000 1.122 39 I HN -0.099 nan 8.210 nan 0.000 0.421 40 E N 2.334 122.506 120.200 -0.046 0.000 2.072 40 E HA 0.143 4.494 4.350 0.001 0.000 0.190 40 E C 1.571 178.146 176.600 -0.042 0.000 0.982 40 E CA 0.908 57.303 56.400 -0.009 0.000 0.803 40 E CB -0.182 29.518 29.700 0.000 0.000 0.755 40 E HN 0.648 nan 8.360 nan 0.000 0.453 41 G N 0.869 109.622 108.800 -0.078 0.000 2.564 41 G HA2 -0.308 3.652 3.960 0.001 0.000 0.273 41 G HA3 -0.308 3.652 3.960 0.001 0.000 0.273 41 G C 0.431 175.299 174.900 -0.053 0.000 1.242 41 G CA 0.378 45.464 45.100 -0.023 0.000 0.951 41 G HN 1.005 nan 8.290 nan 0.000 0.564 42 A N -1.522 121.283 122.820 -0.025 0.000 2.640 42 A HA -0.163 4.158 4.320 0.001 0.000 0.300 42 A C 1.327 178.784 177.584 -0.211 0.000 1.499 42 A CA 1.997 53.917 52.037 -0.196 0.000 0.759 42 A CB -2.132 16.509 19.000 -0.597 0.000 1.048 42 A HN 2.384 nan 8.150 nan 0.000 0.450 43 W N 0.552 121.791 121.300 -0.102 0.000 2.465 43 W HA -0.053 4.608 4.660 0.001 0.000 0.268 43 W C 0.575 177.087 176.519 -0.012 0.000 1.242 43 W CA 1.224 58.556 57.345 -0.022 0.000 1.248 43 W CB -0.601 28.913 29.460 0.090 0.000 1.118 43 W HN 1.025 nan 8.180 nan 0.000 0.587 44 N N 0.122 118.279 118.700 -0.905 0.000 2.451 44 N HA 0.116 4.857 4.740 0.001 0.000 0.271 44 N C -0.945 174.255 175.510 -0.516 0.000 1.410 44 N CA -0.231 52.278 53.050 -0.902 0.000 0.884 44 N CB -0.588 36.936 38.487 -1.605 0.000 1.332 44 N HN 0.150 nan 8.380 nan 0.000 0.498 45 E N 0.325 120.286 120.200 -0.398 0.000 2.212 45 E HA 0.276 4.627 4.350 0.001 0.000 0.270 45 E C -0.742 175.721 176.600 -0.228 0.000 0.956 45 E CA -0.768 55.472 56.400 -0.266 0.000 0.825 45 E CB 0.845 30.419 29.700 -0.211 0.000 1.167 45 E HN 0.035 nan 8.360 nan 0.000 0.400 46 D N 1.400 121.737 120.400 -0.105 0.000 2.708 46 D HA -0.197 4.443 4.640 0.001 0.000 0.236 46 D C 0.715 176.988 176.300 -0.045 0.000 1.146 46 D CA 1.587 55.566 54.000 -0.036 0.000 0.662 46 D CB -1.380 39.446 40.800 0.044 0.000 1.059 46 D HN 0.937 nan 8.370 nan 0.000 0.428 47 G N -0.336 108.425 108.800 -0.065 0.000 2.176 47 G HA2 -0.385 3.575 3.960 0.001 0.000 0.253 47 G HA3 -0.385 3.575 3.960 0.001 0.000 0.253 47 G C 0.346 175.222 174.900 -0.041 0.000 0.979 47 G CA 0.552 45.630 45.100 -0.037 0.000 0.641 47 G HN 0.665 nan 8.290 nan 0.000 0.530 48 K N 1.083 121.432 120.400 -0.086 0.000 2.412 48 K HA 0.490 4.811 4.320 0.001 0.000 0.281 48 K C 1.158 177.739 176.600 -0.031 0.000 1.027 48 K CA 0.243 56.497 56.287 -0.055 0.000 0.989 48 K CB 0.103 32.538 32.500 -0.108 0.000 0.935 48 K HN 0.337 nan 8.250 nan 0.000 0.475 49 G N 2.855 111.666 108.800 0.019 0.000 2.537 49 G HA2 0.043 4.004 3.960 0.001 0.000 0.273 49 G HA3 0.043 4.004 3.960 0.001 0.000 0.273 49 G C -0.833 174.129 174.900 0.102 0.000 1.189 49 G CA -0.558 44.562 45.100 0.034 0.000 0.881 49 G HN 0.811 nan 8.290 nan 0.000 0.535 50 E N -0.634 119.649 120.200 0.138 0.000 2.392 50 E HA 0.286 4.637 4.350 0.001 0.000 0.264 50 E C 0.542 177.225 176.600 0.138 0.000 1.024 50 E CA -0.171 56.373 56.400 0.239 0.000 0.903 50 E CB 0.491 30.344 29.700 0.255 0.000 0.963 50 E HN 0.485 nan 8.360 nan 0.000 0.432 51 S N 2.021 117.825 115.700 0.174 0.000 2.718 51 S HA 0.129 4.600 4.470 0.001 0.000 0.300 51 S C 0.945 175.600 174.600 0.092 0.000 1.117 51 S CA -0.148 58.120 58.200 0.114 0.000 1.002 51 S CB 1.103 64.403 63.200 0.167 0.000 1.092 51 S HN 0.785 nan 8.310 nan 0.000 0.542 52 N N -0.052 118.691 118.700 0.072 0.000 2.132 52 N HA -0.216 4.525 4.740 0.001 0.000 0.191 52 N C 1.132 176.617 175.510 -0.042 0.000 1.015 52 N CA 1.364 54.422 53.050 0.013 0.000 0.864 52 N CB -0.390 38.101 38.487 0.007 0.000 1.006 52 N HN 0.726 nan 8.380 nan 0.000 0.430 53 W N 1.262 122.519 121.300 -0.073 0.000 2.494 53 W HA 0.080 4.740 4.660 0.001 0.000 0.286 53 W C 1.972 178.327 176.519 -0.272 0.000 1.218 53 W CA 0.361 57.581 57.345 -0.208 0.000 1.313 53 W CB 0.039 29.087 29.460 -0.686 0.000 1.105 53 W HN 0.021 nan 8.180 nan 0.000 0.561 54 D N -0.943 119.407 120.400 -0.083 0.000 2.116 54 D HA -0.270 4.371 4.640 0.001 0.000 0.193 54 D C 1.648 177.732 176.300 -0.360 0.000 0.998 54 D CA 1.970 55.789 54.000 -0.300 0.000 0.836 54 D CB -0.719 40.079 40.800 -0.003 0.000 0.951 54 D HN 0.247 nan 8.370 nan 0.000 0.449 55 H N -0.690 118.320 119.070 -0.100 0.000 2.353 55 H HA -0.112 4.445 4.556 0.001 0.000 0.300 55 H C 1.827 177.188 175.328 0.055 0.000 1.090 55 H CA 1.320 57.372 56.048 0.007 0.000 1.327 55 H CB -0.325 29.465 29.762 0.047 0.000 1.383 55 H HN 0.045 nan 8.280 nan 0.000 0.508 56 F N 0.057 119.983 119.950 -0.041 0.000 2.113 56 F HA -0.156 4.371 4.527 0.001 0.000 0.297 56 F C 2.323 178.129 175.800 0.011 0.000 1.103 56 F CA 1.285 59.270 58.000 -0.025 0.000 1.248 56 F CB -0.913 37.944 39.000 -0.238 0.000 0.999 56 F HN 0.263 nan 8.300 nan 0.000 0.475 57 C N -0.239 119.036 119.300 -0.043 0.000 2.440 57 C HA -0.159 4.301 4.460 0.001 0.000 0.278 57 C C 2.654 177.572 174.990 -0.120 0.000 1.295 57 C CA 1.398 60.365 59.018 -0.085 0.000 1.738 57 C CB -1.793 25.950 27.740 0.006 0.000 1.987 57 C HN 0.542 nan 8.230 nan 0.000 0.492 58 H N 0.142 119.117 119.070 -0.158 0.000 2.395 58 H HA -0.034 4.522 4.556 0.001 0.000 0.299 58 H C 1.869 177.047 175.328 -0.250 0.000 1.070 58 H CA 0.981 56.903 56.048 -0.210 0.000 1.356 58 H CB 0.034 29.648 29.762 -0.247 0.000 1.401 58 H HN 0.506 nan 8.280 nan 0.000 0.524 59 N N -0.052 118.504 118.700 -0.239 0.000 2.392 59 N HA -0.042 4.698 4.740 0.001 0.000 0.177 59 N C -0.166 174.908 175.510 -0.728 0.000 1.066 59 N CA 0.651 53.415 53.050 -0.476 0.000 0.895 59 N CB 0.674 38.798 38.487 -0.604 0.000 0.988 59 N HN 0.450 nan 8.380 nan 0.000 0.457 60 H N -0.074 118.850 119.070 -0.243 0.000 2.511 60 H HA 0.211 4.768 4.556 0.001 0.000 0.228 60 H C -1.701 173.440 175.328 -0.311 0.000 1.424 60 H CA -1.194 54.663 56.048 -0.319 0.000 1.321 60 H CB 1.430 30.897 29.762 -0.492 0.000 1.720 60 H HN 0.101 nan 8.280 nan 0.000 0.512 61 P HA -0.156 nan 4.420 nan 0.000 0.220 61 P C 1.489 178.791 177.300 0.002 0.000 1.148 61 P CA 0.985 64.071 63.100 -0.023 0.000 0.803 61 P CB 0.442 32.142 31.700 0.001 0.000 0.782 62 E N 0.562 120.756 120.200 -0.010 0.000 2.333 62 E HA -0.170 4.181 4.350 0.001 0.000 0.198 62 E C 1.307 177.907 176.600 0.001 0.000 1.007 62 E CA 0.887 57.288 56.400 0.003 0.000 0.845 62 E CB -0.498 29.200 29.700 -0.004 0.000 0.766 62 E HN 0.164 nan 8.360 nan 0.000 0.507 63 R N 0.650 121.127 120.500 -0.038 0.000 2.317 63 R HA 0.275 4.616 4.340 0.001 0.000 0.208 63 R C 0.232 176.617 176.300 0.141 0.000 0.914 63 R CA -0.108 55.989 56.100 -0.006 0.000 1.060 63 R CB 0.348 30.577 30.300 -0.118 0.000 1.015 63 R HN 0.186 nan 8.270 nan 0.000 0.498 64 I N 1.217 121.876 120.570 0.149 0.000 2.412 64 I HA 0.061 4.231 4.170 0.001 0.000 0.296 64 I C 1.503 177.738 176.117 0.197 0.000 0.987 64 I CA -0.939 60.516 61.300 0.260 0.000 1.180 64 I CB 1.511 39.687 38.000 0.292 0.000 1.340 64 I HN -0.090 nan 8.210 nan 0.000 0.455 65 L N 4.730 126.084 121.223 0.218 0.000 2.131 65 L HA -0.161 4.179 4.340 0.001 0.000 0.210 65 L C 1.453 178.403 176.870 0.133 0.000 1.092 65 L CA 2.002 56.946 54.840 0.173 0.000 0.759 65 L CB -0.450 41.725 42.059 0.194 0.000 0.903 65 L HN 0.787 nan 8.230 nan 0.000 0.435 66 D N -2.245 118.239 120.400 0.140 0.000 2.440 66 D HA 0.206 4.847 4.640 0.001 0.000 0.216 66 D C 1.439 177.827 176.300 0.146 0.000 1.150 66 D CA 0.430 54.511 54.000 0.136 0.000 0.832 66 D CB -0.176 40.715 40.800 0.152 0.000 0.992 66 D HN 0.302 nan 8.370 nan 0.000 0.502 67 G N 0.508 109.396 108.800 0.147 0.000 2.162 67 G HA2 -0.296 3.664 3.960 0.001 0.000 0.260 67 G HA3 -0.296 3.664 3.960 0.001 0.000 0.260 67 G C 0.453 175.454 174.900 0.169 0.000 0.976 67 G CA 0.664 45.842 45.100 0.131 0.000 0.655 67 G HN 0.835 nan 8.290 nan 0.000 0.533 68 S N -0.402 115.449 115.700 0.252 0.000 2.707 68 S HA 0.782 5.252 4.470 0.001 0.000 0.276 68 S C 0.055 174.856 174.600 0.336 0.000 1.179 68 S CA 0.264 58.658 58.200 0.323 0.000 0.992 68 S CB 1.775 65.272 63.200 0.494 0.000 1.030 68 S HN 1.348 nan 8.310 nan 0.000 0.554 69 N N -1.216 117.613 118.700 0.216 0.000 2.831 69 N HA 0.451 5.191 4.740 0.001 0.000 0.276 69 N C -1.102 174.144 175.510 -0.440 0.000 1.416 69 N CA -0.987 51.983 53.050 -0.132 0.000 0.799 69 N CB 1.389 39.829 38.487 -0.079 0.000 1.554 69 N HN 0.446 nan 8.380 nan 0.000 0.541 70 S N -0.974 114.212 115.700 -0.855 0.000 2.489 70 S HA 0.188 4.659 4.470 0.001 0.000 0.237 70 S C -0.282 174.079 174.600 -0.399 0.000 1.220 70 S CA -0.528 57.190 58.200 -0.804 0.000 1.231 70 S CB -0.869 61.340 63.200 -1.652 0.000 0.900 70 S HN 0.455 nan 8.310 nan 0.000 0.492 71 D N 1.484 121.791 120.400 -0.155 0.000 2.144 71 D HA -0.031 4.610 4.640 0.001 0.000 0.199 71 D C 1.442 177.835 176.300 0.155 0.000 0.984 71 D CA 1.307 55.336 54.000 0.049 0.000 0.834 71 D CB 0.177 41.019 40.800 0.070 0.000 0.955 71 D HN 0.523 nan 8.370 nan 0.000 0.465 72 I N -1.075 119.540 120.570 0.074 0.000 3.039 72 I HA 0.184 4.354 4.170 0.001 0.000 0.270 72 I C 1.793 177.929 176.117 0.031 0.000 1.150 72 I CA 0.462 61.804 61.300 0.070 0.000 1.448 72 I CB -0.150 37.882 38.000 0.053 0.000 1.197 72 I HN 0.091 nan 8.210 nan 0.000 0.450 73 G N 1.677 110.517 108.800 0.067 0.000 2.561 73 G HA2 -0.382 3.578 3.960 0.001 0.000 0.289 73 G HA3 -0.382 3.578 3.960 0.001 0.000 0.289 73 G C 0.796 175.760 174.900 0.106 0.000 1.169 73 G CA 0.371 45.532 45.100 0.101 0.000 0.980 73 G HN 0.566 nan 8.290 nan 0.000 0.550 74 A N 0.343 123.190 122.820 0.044 0.000 2.379 74 A HA 0.543 4.864 4.320 0.001 0.000 0.236 74 A C 1.249 178.845 177.584 0.020 0.000 1.272 74 A CA 1.488 53.533 52.037 0.015 0.000 0.886 74 A CB -0.616 18.384 19.000 0.001 0.000 0.962 74 A HN 1.827 nan 8.150 nan 0.000 0.504 75 N N -0.554 118.169 118.700 0.038 0.000 2.735 75 N HA -0.185 4.556 4.740 0.001 0.000 0.248 75 N C 0.616 176.181 175.510 0.093 0.000 1.083 75 N CA 0.520 53.619 53.050 0.082 0.000 0.703 75 N CB -0.802 37.745 38.487 0.101 0.000 1.005 75 N HN 0.388 nan 8.380 nan 0.000 0.550 76 S N -0.745 115.002 115.700 0.079 0.000 2.481 76 S HA -0.085 4.386 4.470 0.001 0.000 0.231 76 S C 1.191 175.902 174.600 0.185 0.000 0.996 76 S CA 0.362 58.638 58.200 0.126 0.000 0.942 76 S CB -0.119 63.159 63.200 0.131 0.000 0.768 76 S HN 0.543 nan 8.310 nan 0.000 0.520 77 Y N 2.275 122.492 120.300 -0.138 0.000 2.128 77 Y HA -0.237 4.313 4.550 0.001 0.000 0.284 77 Y C 2.291 178.064 175.900 -0.212 0.000 1.154 77 Y CA 1.948 59.746 58.100 -0.504 0.000 1.149 77 Y CB -0.292 37.700 38.460 -0.779 0.000 0.976 77 Y HN 0.392 nan 8.280 nan 0.000 0.505 78 H N -1.602 117.511 119.070 0.071 0.000 2.525 78 H HA 0.181 4.737 4.556 0.001 0.000 0.275 78 H C 1.297 176.653 175.328 0.047 0.000 0.984 78 H CA 1.177 57.247 56.048 0.038 0.000 1.264 78 H CB 0.059 29.851 29.762 0.049 0.000 1.432 78 H HN 0.423 nan 8.280 nan 0.000 0.549 79 M N 0.746 120.439 119.600 0.155 0.000 2.484 79 M HA 0.066 4.547 4.480 0.001 0.000 0.307 79 M C 1.178 177.463 176.300 -0.024 0.000 1.149 79 M CA -0.341 54.975 55.300 0.025 0.000 0.972 79 M CB 0.263 32.873 32.600 0.016 0.000 1.400 79 M HN 0.135 nan 8.290 nan 0.000 0.508 80 Y N 0.343 120.630 120.300 -0.021 0.000 2.256 80 Y HA -0.111 4.439 4.550 0.001 0.000 0.288 80 Y C 1.767 177.597 175.900 -0.116 0.000 1.155 80 Y CA 1.323 59.385 58.100 -0.062 0.000 1.203 80 Y CB -0.768 37.648 38.460 -0.073 0.000 0.980 80 Y HN 0.060 nan 8.280 nan 0.000 0.530 81 K N -0.126 119.733 120.400 -0.903 0.000 2.063 81 K HA -0.166 4.155 4.320 0.001 0.000 0.208 81 K C 2.378 178.782 176.600 -0.326 0.000 1.048 81 K CA 1.852 57.746 56.287 -0.655 0.000 0.928 81 K CB -0.447 31.674 32.500 -0.630 0.000 0.713 81 K HN 0.460 nan 8.250 nan 0.000 0.442 82 T N 0.986 115.386 114.554 -0.257 0.000 2.904 82 T HA -0.117 4.234 4.350 0.001 0.000 0.267 82 T C 1.183 175.779 174.700 -0.172 0.000 1.059 82 T CA 1.351 63.340 62.100 -0.185 0.000 1.137 82 T CB -0.191 68.585 68.868 -0.155 0.000 0.879 82 T HN 0.101 nan 8.240 nan 0.000 0.467 83 D N 0.825 121.122 120.400 -0.171 0.000 2.104 83 D HA -0.078 4.563 4.640 0.001 0.000 0.194 83 D C 2.204 178.345 176.300 -0.266 0.000 0.994 83 D CA 1.031 54.908 54.000 -0.205 0.000 0.830 83 D CB -0.585 40.105 40.800 -0.183 0.000 0.959 83 D HN 0.330 nan 8.370 nan 0.000 0.452 84 V N 0.714 120.487 119.914 -0.234 0.000 2.427 84 V HA -0.185 3.935 4.120 0.001 0.000 0.248 84 V C 2.521 178.516 176.094 -0.165 0.000 1.051 84 V CA 1.391 63.566 62.300 -0.209 0.000 1.048 84 V CB -0.431 31.304 31.823 -0.147 0.000 0.666 84 V HN 0.145 nan 8.190 nan 0.000 0.456 85 R N -0.366 120.041 120.500 -0.155 0.000 2.081 85 R HA -0.152 4.188 4.340 0.001 0.000 0.235 85 R C 2.272 178.503 176.300 -0.114 0.000 1.131 85 R CA 1.437 57.463 56.100 -0.124 0.000 0.960 85 R CB -0.222 30.004 30.300 -0.123 0.000 0.856 85 R HN 0.308 nan 8.270 nan 0.000 0.436 86 L N 1.103 122.248 121.223 -0.130 0.000 1.989 86 L HA -0.178 4.163 4.340 0.001 0.000 0.211 86 L C 2.377 179.182 176.870 -0.107 0.000 1.071 86 L CA 1.559 56.332 54.840 -0.112 0.000 0.749 86 L CB -1.134 40.852 42.059 -0.122 0.000 0.890 86 L HN 0.266 nan 8.230 nan 0.000 0.431 87 L N -0.750 120.385 121.223 -0.147 0.000 2.012 87 L HA -0.265 4.076 4.340 0.001 0.000 0.210 87 L C 2.592 179.417 176.870 -0.074 0.000 1.073 87 L CA 1.397 56.163 54.840 -0.124 0.000 0.748 87 L CB -0.561 41.383 42.059 -0.193 0.000 0.891 87 L HN 0.205 nan 8.230 nan 0.000 0.431 88 K N 0.216 120.569 120.400 -0.078 0.000 2.057 88 K HA -0.175 4.146 4.320 0.001 0.000 0.207 88 K C 2.004 178.574 176.600 -0.051 0.000 1.049 88 K CA 1.409 57.663 56.287 -0.054 0.000 0.931 88 K CB -0.144 32.322 32.500 -0.057 0.000 0.714 88 K HN 0.173 nan 8.250 nan 0.000 0.440 89 E N -0.111 120.054 120.200 -0.058 0.000 2.153 89 E HA -0.148 4.202 4.350 0.001 0.000 0.194 89 E C 1.818 178.388 176.600 -0.049 0.000 0.988 89 E CA 1.213 57.582 56.400 -0.052 0.000 0.811 89 E CB -0.096 29.572 29.700 -0.053 0.000 0.746 89 E HN 0.468 nan 8.360 nan 0.000 0.466 90 M N -0.835 118.737 119.600 -0.047 0.000 2.595 90 M HA 0.067 4.547 4.480 0.001 0.000 0.248 90 M C 1.027 177.299 176.300 -0.046 0.000 1.119 90 M CA 0.673 55.947 55.300 -0.044 0.000 1.079 90 M CB 0.387 32.970 32.600 -0.029 0.000 1.472 90 M HN 0.157 nan 8.290 nan 0.000 0.501 91 G N 1.363 110.139 108.800 -0.040 0.000 2.198 91 G HA2 -0.217 3.743 3.960 0.001 0.000 0.260 91 G HA3 -0.217 3.743 3.960 0.001 0.000 0.260 91 G C 0.065 174.963 174.900 -0.003 0.000 1.025 91 G CA -0.224 44.857 45.100 -0.033 0.000 0.769 91 G HN 0.291 nan 8.290 nan 0.000 0.507 92 M N 0.704 120.311 119.600 0.012 0.000 2.239 92 M HA 0.154 4.635 4.480 0.001 0.000 0.348 92 M C 1.212 177.545 176.300 0.054 0.000 1.239 92 M CA 0.056 55.383 55.300 0.046 0.000 1.114 92 M CB 0.301 32.927 32.600 0.043 0.000 1.641 92 M HN 0.147 nan 8.290 nan 0.000 0.453 93 D N 1.497 121.939 120.400 0.069 0.000 2.277 93 D HA 0.170 4.811 4.640 0.001 0.000 0.208 93 D C 0.392 176.741 176.300 0.082 0.000 0.962 93 D CA 0.725 54.766 54.000 0.070 0.000 0.865 93 D CB 0.492 41.336 40.800 0.074 0.000 0.939 93 D HN 0.641 nan 8.370 nan 0.000 0.510 94 A N -0.323 122.537 122.820 0.066 0.000 2.610 94 A HA 0.486 4.807 4.320 0.001 0.000 0.291 94 A C -2.096 175.692 177.584 0.340 0.000 1.086 94 A CA -0.659 51.492 52.037 0.191 0.000 0.677 94 A CB 1.673 20.756 19.000 0.138 0.000 1.278 94 A HN 0.017 nan 8.150 nan 0.000 0.414 95 Y N 0.706 121.189 120.300 0.305 0.000 2.354 95 Y HA 0.628 5.178 4.550 0.001 0.000 0.330 95 Y C -0.232 175.869 175.900 0.335 0.000 1.011 95 Y CA -0.871 57.419 58.100 0.317 0.000 1.099 95 Y CB 1.475 40.075 38.460 0.234 0.000 1.179 95 Y HN 0.804 nan 8.280 nan 0.000 0.442 96 R N 7.271 127.752 120.500 -0.030 0.000 2.207 96 R HA 0.558 4.899 4.340 0.001 0.000 0.334 96 R C -1.595 174.377 176.300 -0.546 0.000 1.013 96 R CA -0.252 55.617 56.100 -0.385 0.000 0.858 96 R CB 0.219 30.168 30.300 -0.585 0.000 1.094 96 R HN 0.570 nan 8.270 nan 0.000 0.457 97 F N 0.892 120.470 119.950 -0.620 0.000 2.650 97 F HA 0.664 5.192 4.527 0.001 0.000 0.320 97 F C -0.940 174.700 175.800 -0.268 0.000 1.091 97 F CA -1.135 56.564 58.000 -0.502 0.000 0.962 97 F CB 1.364 40.014 39.000 -0.583 0.000 1.363 97 F HN 0.409 nan 8.300 nan 0.000 0.482 98 S N 0.901 116.587 115.700 -0.025 0.000 2.648 98 S HA 0.783 5.254 4.470 0.001 0.000 0.305 98 S C -0.990 173.658 174.600 0.079 0.000 1.094 98 S CA -0.759 57.396 58.200 -0.074 0.000 0.983 98 S CB 1.529 64.716 63.200 -0.022 0.000 1.101 98 S HN 0.715 nan 8.310 nan 0.000 0.514 99 I N 2.108 122.636 120.570 -0.070 0.000 2.359 99 I HA 0.304 4.474 4.170 0.001 0.000 0.294 99 I C 0.409 176.625 176.117 0.166 0.000 0.987 99 I CA -0.499 60.664 61.300 -0.229 0.000 1.225 99 I CB 1.902 39.685 38.000 -0.360 0.000 1.366 99 I HN 0.747 nan 8.210 nan 0.000 0.466 100 S N 6.335 122.209 115.700 0.289 0.000 2.414 100 S HA -0.005 4.466 4.470 0.001 0.000 0.290 100 S C 0.834 175.617 174.600 0.305 0.000 1.160 100 S CA -0.383 58.030 58.200 0.354 0.000 1.069 100 S CB 0.154 63.584 63.200 0.383 0.000 1.012 100 S HN 0.688 nan 8.310 nan 0.000 0.510 101 W N 7.707 128.959 121.300 -0.081 0.000 2.317 101 W HA -0.050 4.610 4.660 0.001 0.000 0.318 101 W C -1.336 175.003 176.519 -0.299 0.000 1.227 101 W CA 1.495 58.423 57.345 -0.694 0.000 1.269 101 W CB -1.749 27.248 29.460 -0.772 0.000 1.155 101 W HN 0.622 nan 8.180 nan 0.000 0.484 102 P HA -0.159 nan 4.420 nan 0.000 0.223 102 P C 1.651 179.020 177.300 0.114 0.000 1.151 102 P CA 1.728 64.858 63.100 0.049 0.000 0.787 102 P CB -0.346 31.378 31.700 0.041 0.000 0.788 103 R N -0.334 120.275 120.500 0.181 0.000 2.115 103 R HA -0.027 4.314 4.340 0.001 0.000 0.226 103 R C 1.914 178.360 176.300 0.243 0.000 1.100 103 R CA 0.923 57.137 56.100 0.190 0.000 0.980 103 R CB -0.228 30.225 30.300 0.255 0.000 0.875 103 R HN 0.064 nan 8.270 nan 0.000 0.445 104 I N 0.195 120.938 120.570 0.289 0.000 2.585 104 I HA -0.002 4.169 4.170 0.001 0.000 0.254 104 I C 0.613 176.865 176.117 0.226 0.000 1.129 104 I CA 0.910 62.390 61.300 0.300 0.000 1.455 104 I CB -0.051 38.175 38.000 0.377 0.000 1.111 104 I HN 0.078 nan 8.210 nan 0.000 0.433 105 L N 1.411 122.756 121.223 0.204 0.000 2.481 105 L HA 0.248 4.588 4.340 0.001 0.000 0.255 105 L C -1.816 175.114 176.870 0.100 0.000 1.192 105 L CA -1.058 53.898 54.840 0.194 0.000 0.924 105 L CB 1.886 44.131 42.059 0.310 0.000 1.179 105 L HN -0.143 nan 8.230 nan 0.000 0.491 106 P HA -0.133 nan 4.420 nan 0.000 0.219 106 P C 0.857 178.148 177.300 -0.015 0.000 1.146 106 P CA 1.325 64.440 63.100 0.026 0.000 0.808 106 P CB 0.239 31.956 31.700 0.029 0.000 0.779 107 K N -2.482 117.914 120.400 -0.007 0.000 2.358 107 K HA 0.299 4.620 4.320 0.001 0.000 0.197 107 K C 1.246 177.799 176.600 -0.078 0.000 1.025 107 K CA 0.608 56.869 56.287 -0.043 0.000 1.104 107 K CB 0.138 32.627 32.500 -0.017 0.000 0.855 107 K HN 0.085 nan 8.250 nan 0.000 0.531 108 G N 1.788 110.556 108.800 -0.054 0.000 2.217 108 G HA2 -0.291 3.669 3.960 0.001 0.000 0.246 108 G HA3 -0.291 3.669 3.960 0.001 0.000 0.246 108 G C 0.371 175.396 174.900 0.207 0.000 0.990 108 G CA 0.679 45.726 45.100 -0.089 0.000 0.627 108 G HN 0.410 nan 8.290 nan 0.000 0.522 109 T N -2.574 112.072 114.554 0.153 0.000 2.942 109 T HA 0.697 5.047 4.350 0.001 0.000 0.289 109 T C 1.005 175.763 174.700 0.097 0.000 1.044 109 T CA 0.279 62.463 62.100 0.140 0.000 1.023 109 T CB 2.410 71.308 68.868 0.049 0.000 1.123 109 T HN 0.223 nan 8.240 nan 0.000 0.512 110 K N 0.528 120.818 120.400 -0.184 0.000 2.063 110 K HA -0.189 4.132 4.320 0.001 0.000 0.208 110 K C 2.167 178.686 176.600 -0.135 0.000 1.048 110 K CA 1.844 57.854 56.287 -0.461 0.000 0.928 110 K CB -0.185 31.699 32.500 -1.027 0.000 0.713 110 K HN 0.813 nan 8.250 nan 0.000 0.442 111 E N -0.109 120.031 120.200 -0.100 0.000 2.110 111 E HA -0.166 4.184 4.350 0.001 0.000 0.193 111 E C 1.806 178.405 176.600 -0.002 0.000 0.988 111 E CA 1.647 58.022 56.400 -0.042 0.000 0.804 111 E CB -0.404 29.276 29.700 -0.033 0.000 0.745 111 E HN 0.442 nan 8.360 nan 0.000 0.458 112 G N 0.825 109.635 108.800 0.017 0.000 2.484 112 G HA2 0.210 4.171 3.960 0.001 0.000 0.218 112 G HA3 0.210 4.171 3.960 0.001 0.000 0.218 112 G C 0.764 175.696 174.900 0.054 0.000 1.130 112 G CA 0.513 45.632 45.100 0.032 0.000 0.784 112 G HN 0.717 nan 8.290 nan 0.000 0.543 113 G N -0.844 108.006 108.800 0.083 0.000 2.697 113 G HA2 -0.100 3.861 3.960 0.001 0.000 0.686 113 G HA3 -0.100 3.861 3.960 0.001 0.000 0.686 113 G C -0.439 174.544 174.900 0.138 0.000 1.179 113 G CA -0.596 44.565 45.100 0.101 0.000 0.765 113 G HN 0.413 nan 8.290 nan 0.000 0.649 114 I N 1.137 121.795 120.570 0.146 0.000 2.474 114 I HA 0.162 4.333 4.170 0.001 0.000 0.287 114 I C 0.580 176.768 176.117 0.117 0.000 1.048 114 I CA -0.614 60.772 61.300 0.143 0.000 1.383 114 I CB 1.303 39.376 38.000 0.121 0.000 1.412 114 I HN 0.506 nan 8.210 nan 0.000 0.531 115 N N 8.990 127.769 118.700 0.131 0.000 2.437 115 N HA 0.227 4.968 4.740 0.001 0.000 0.243 115 N C -1.673 173.917 175.510 0.133 0.000 1.041 115 N CA -2.239 50.882 53.050 0.117 0.000 0.940 115 N CB 1.100 39.657 38.487 0.117 0.000 1.133 115 N HN 0.255 nan 8.380 nan 0.000 0.506 116 P HA -0.062 nan 4.420 nan 0.000 0.221 116 P C 0.193 177.571 177.300 0.131 0.000 1.150 116 P CA 0.930 64.096 63.100 0.109 0.000 0.800 116 P CB 0.545 32.292 31.700 0.079 0.000 0.787 117 D N -0.004 120.472 120.400 0.126 0.000 2.178 117 D HA -0.065 4.575 4.640 0.001 0.000 0.202 117 D C 2.330 178.753 176.300 0.205 0.000 0.974 117 D CA 1.446 55.533 54.000 0.146 0.000 0.841 117 D CB -0.949 39.928 40.800 0.129 0.000 0.953 117 D HN 0.166 nan 8.370 nan 0.000 0.478 118 G N 1.359 110.291 108.800 0.221 0.000 2.421 118 G HA2 -0.207 3.753 3.960 0.001 0.000 0.216 118 G HA3 -0.207 3.753 3.960 0.001 0.000 0.216 118 G C 1.614 176.784 174.900 0.450 0.000 1.171 118 G CA 0.273 45.565 45.100 0.320 0.000 0.775 118 G HN 0.185 nan 8.290 nan 0.000 0.543 119 I N 1.073 121.882 120.570 0.398 0.000 2.226 119 I HA -0.115 4.056 4.170 0.001 0.000 0.245 119 I C 2.539 178.902 176.117 0.409 0.000 1.100 119 I CA 1.409 62.992 61.300 0.472 0.000 1.374 119 I CB -0.822 37.316 38.000 0.230 0.000 1.057 119 I HN 0.260 nan 8.210 nan 0.000 0.413 120 K N 0.341 120.885 120.400 0.240 0.000 2.097 120 K HA -0.249 4.072 4.320 0.001 0.000 0.205 120 K C 2.441 179.071 176.600 0.049 0.000 1.050 120 K CA 1.277 57.650 56.287 0.143 0.000 0.938 120 K CB -0.309 32.249 32.500 0.098 0.000 0.718 120 K HN 0.173 nan 8.250 nan 0.000 0.442 121 Y N 0.616 120.842 120.300 -0.123 0.000 2.097 121 Y HA -0.296 4.255 4.550 0.001 0.000 0.282 121 Y C 1.641 177.240 175.900 -0.503 0.000 1.152 121 Y CA 1.879 59.716 58.100 -0.439 0.000 1.136 121 Y CB -0.637 37.531 38.460 -0.488 0.000 0.975 121 Y HN 0.083 nan 8.280 nan 0.000 0.498 122 Y N -0.283 119.852 120.300 -0.275 0.000 2.373 122 Y HA -0.093 4.458 4.550 0.001 0.000 0.293 122 Y C 2.670 178.350 175.900 -0.366 0.000 1.129 122 Y CA 1.439 59.241 58.100 -0.497 0.000 1.226 122 Y CB -0.612 37.565 38.460 -0.473 0.000 1.000 122 Y HN 0.048 nan 8.280 nan 0.000 0.549 123 R N 0.870 121.442 120.500 0.120 0.000 2.066 123 R HA -0.111 4.229 4.340 0.001 0.000 0.232 123 R C 1.789 178.089 176.300 -0.000 0.000 1.131 123 R CA 1.721 57.946 56.100 0.208 0.000 0.955 123 R CB -0.421 30.050 30.300 0.286 0.000 0.851 123 R HN 0.186 nan 8.270 nan 0.000 0.432 124 N N 0.290 118.915 118.700 -0.125 0.000 2.188 124 N HA -0.145 4.595 4.740 0.001 0.000 0.184 124 N C 1.500 176.898 175.510 -0.188 0.000 1.018 124 N CA 1.126 54.093 53.050 -0.139 0.000 0.858 124 N CB -0.385 37.999 38.487 -0.172 0.000 0.989 124 N HN 0.181 nan 8.380 nan 0.000 0.426 125 L N 1.119 122.049 121.223 -0.489 0.000 2.017 125 L HA 0.007 4.348 4.340 0.001 0.000 0.208 125 L C 1.898 178.647 176.870 -0.201 0.000 1.073 125 L CA 1.350 55.938 54.840 -0.421 0.000 0.745 125 L CB -0.624 40.944 42.059 -0.818 0.000 0.894 125 L HN 0.082 nan 8.230 nan 0.000 0.432 126 I N -0.156 120.316 120.570 -0.164 0.000 2.226 126 I HA -0.282 3.889 4.170 0.001 0.000 0.245 126 I C 2.137 178.262 176.117 0.013 0.000 1.100 126 I CA 1.157 62.442 61.300 -0.026 0.000 1.374 126 I CB -0.495 37.515 38.000 0.017 0.000 1.057 126 I HN 0.379 nan 8.210 nan 0.000 0.413 127 N N 0.616 119.325 118.700 0.016 0.000 2.142 127 N HA -0.163 4.578 4.740 0.001 0.000 0.186 127 N C 1.825 177.351 175.510 0.026 0.000 1.023 127 N CA 1.147 54.216 53.050 0.033 0.000 0.852 127 N CB -0.409 38.102 38.487 0.040 0.000 0.998 127 N HN 0.190 nan 8.380 nan 0.000 0.424 128 L N 1.318 122.555 121.223 0.023 0.000 2.046 128 L HA -0.032 4.309 4.340 0.001 0.000 0.208 128 L C 2.055 178.931 176.870 0.009 0.000 1.077 128 L CA 1.189 56.041 54.840 0.021 0.000 0.747 128 L CB -0.640 41.449 42.059 0.049 0.000 0.896 128 L HN 0.093 nan 8.230 nan 0.000 0.432 129 L N -1.380 119.852 121.223 0.016 0.000 2.012 129 L HA -0.263 4.077 4.340 0.001 0.000 0.210 129 L C 2.470 179.365 176.870 0.041 0.000 1.073 129 L CA 1.438 56.299 54.840 0.035 0.000 0.748 129 L CB -0.575 41.537 42.059 0.089 0.000 0.891 129 L HN 0.275 nan 8.230 nan 0.000 0.431 130 L N -0.273 120.975 121.223 0.041 0.000 2.093 130 L HA -0.190 4.151 4.340 0.001 0.000 0.208 130 L C 2.658 179.544 176.870 0.028 0.000 1.085 130 L CA 1.378 56.241 54.840 0.038 0.000 0.755 130 L CB -0.579 41.503 42.059 0.038 0.000 0.904 130 L HN 0.434 nan 8.230 nan 0.000 0.435 131 E N -0.225 119.987 120.200 0.021 0.000 2.347 131 E HA -0.194 4.157 4.350 0.001 0.000 0.196 131 E C 1.060 177.664 176.600 0.006 0.000 1.008 131 E CA 1.145 57.553 56.400 0.013 0.000 0.852 131 E CB -0.258 29.447 29.700 0.010 0.000 0.783 131 E HN 0.501 nan 8.360 nan 0.000 0.505 132 N N 0.053 118.756 118.700 0.004 0.000 2.270 132 N HA 0.151 4.892 4.740 0.001 0.000 0.198 132 N C 0.423 175.939 175.510 0.009 0.000 1.117 132 N CA 0.535 53.583 53.050 -0.003 0.000 0.845 132 N CB 1.200 39.677 38.487 -0.017 0.000 0.980 132 N HN 0.348 nan 8.380 nan 0.000 0.486 133 G N 0.730 109.542 108.800 0.021 0.000 2.160 133 G HA2 -0.273 3.688 3.960 0.001 0.000 0.251 133 G HA3 -0.273 3.688 3.960 0.001 0.000 0.251 133 G C -0.138 174.790 174.900 0.047 0.000 1.008 133 G CA -0.100 45.019 45.100 0.031 0.000 0.724 133 G HN 0.292 nan 8.290 nan 0.000 0.514 134 I N 0.308 120.912 120.570 0.058 0.000 2.339 134 I HA 0.393 4.563 4.170 0.001 0.000 0.290 134 I C 0.217 176.410 176.117 0.127 0.000 0.994 134 I CA -0.967 60.388 61.300 0.092 0.000 1.191 134 I CB 1.671 39.722 38.000 0.085 0.000 1.343 134 I HN 0.051 nan 8.210 nan 0.000 0.458 135 E N 9.247 129.545 120.200 0.162 0.000 2.257 135 E HA 0.245 4.596 4.350 0.001 0.000 0.278 135 E C -2.352 174.403 176.600 0.258 0.000 1.049 135 E CA -1.889 54.617 56.400 0.176 0.000 0.876 135 E CB 0.722 30.553 29.700 0.219 0.000 1.035 135 E HN 0.167 nan 8.360 nan 0.000 0.419 136 P HA 0.071 nan 4.420 nan 0.000 0.282 136 P C -1.256 175.966 177.300 -0.131 0.000 1.262 136 P CA -0.138 63.035 63.100 0.120 0.000 0.773 136 P CB 0.267 32.020 31.700 0.088 0.000 0.879 137 Y N 2.135 122.249 120.300 -0.310 0.000 2.402 137 Y HA 0.281 4.832 4.550 0.001 0.000 0.332 137 Y C 0.278 175.744 175.900 -0.723 0.000 0.960 137 Y CA -0.716 57.090 58.100 -0.489 0.000 1.228 137 Y CB 1.395 39.576 38.460 -0.466 0.000 1.120 137 Y HN 0.080 nan 8.280 nan 0.000 0.491 138 V N 3.707 123.168 119.914 -0.754 0.000 2.347 138 V HA 0.303 4.423 4.120 0.001 0.000 0.280 138 V C 0.045 175.833 176.094 -0.510 0.000 1.021 138 V CA -0.795 60.947 62.300 -0.931 0.000 0.847 138 V CB 1.464 32.604 31.823 -1.138 0.000 0.990 138 V HN 0.708 nan 8.190 nan 0.000 0.444 139 T N 6.525 120.813 114.554 -0.443 0.000 2.749 139 T HA 0.387 4.738 4.350 0.001 0.000 0.295 139 T C 1.382 175.989 174.700 -0.156 0.000 0.936 139 T CA -0.076 61.891 62.100 -0.221 0.000 1.060 139 T CB 0.985 69.768 68.868 -0.142 0.000 0.904 139 T HN 0.419 nan 8.240 nan 0.000 0.500 140 I N 1.749 122.252 120.570 -0.111 0.000 2.202 140 I HA 0.038 4.208 4.170 0.001 0.000 0.242 140 I C 0.573 176.741 176.117 0.085 0.000 1.091 140 I CA 1.183 62.370 61.300 -0.190 0.000 1.368 140 I CB 0.115 37.837 38.000 -0.463 0.000 1.058 140 I HN 0.483 nan 8.210 nan 0.000 0.410 141 F N 0.004 119.900 119.950 -0.090 0.000 2.499 141 F HA 0.371 4.899 4.527 0.001 0.000 0.333 141 F C -0.194 175.619 175.800 0.022 0.000 1.138 141 F CA -0.766 57.271 58.000 0.062 0.000 0.945 141 F CB 0.752 39.727 39.000 -0.042 0.000 1.181 141 F HN -0.070 nan 8.300 nan 0.000 0.435 142 H N 6.519 125.218 119.070 -0.618 0.000 2.471 142 H HA 0.235 4.791 4.556 0.001 0.000 0.234 142 H C -0.810 174.050 175.328 -0.780 0.000 1.388 142 H CA -0.129 55.489 56.048 -0.717 0.000 1.198 142 H CB 0.025 29.515 29.762 -0.453 0.000 1.714 142 H HN 0.759 nan 8.280 nan 0.000 0.536 143 W N -0.069 120.322 121.300 -1.514 0.000 1.273 143 W HA -0.221 4.439 4.660 0.001 0.000 0.240 143 W C -0.665 175.796 176.519 -0.098 0.000 0.987 143 W CA 0.689 57.523 57.345 -0.852 0.000 0.393 143 W CB -2.138 27.122 29.460 -0.334 0.000 1.994 143 W HN 0.558 nan 8.180 nan 0.000 1.170 144 D N 1.095 121.557 120.400 0.103 0.000 2.524 144 D HA 0.434 5.075 4.640 0.001 0.000 0.222 144 D C 0.236 176.852 176.300 0.527 0.000 1.142 144 D CA -0.270 53.971 54.000 0.402 0.000 0.973 144 D CB 0.261 41.257 40.800 0.327 0.000 1.025 144 D HN -0.120 nan 8.370 nan 0.000 0.519 145 V N 2.274 122.531 119.914 0.571 0.000 2.583 145 V HA 0.216 4.336 4.120 0.001 0.000 0.287 145 V C -1.974 174.093 176.094 -0.045 0.000 1.051 145 V CA -1.634 60.848 62.300 0.304 0.000 1.010 145 V CB 0.917 32.945 31.823 0.342 0.000 0.988 145 V HN 0.318 nan 8.190 nan 0.000 0.478 146 P HA 0.006 nan 4.420 nan 0.000 0.261 146 P C 0.446 177.591 177.300 -0.258 0.000 1.183 146 P CA 0.248 63.143 63.100 -0.341 0.000 0.761 146 P CB 0.496 31.847 31.700 -0.582 0.000 0.785 147 Q N 5.018 124.724 119.800 -0.156 0.000 2.234 147 Q HA -0.209 4.131 4.340 0.001 0.000 0.206 147 Q C 1.897 177.755 176.000 -0.238 0.000 0.980 147 Q CA 2.202 57.890 55.803 -0.192 0.000 0.869 147 Q CB -0.961 27.673 28.738 -0.173 0.000 0.912 147 Q HN 0.509 nan 8.270 nan 0.000 0.436 148 A N 0.082 122.771 122.820 -0.218 0.000 1.908 148 A HA -0.169 4.152 4.320 0.001 0.000 0.218 148 A C 2.026 179.422 177.584 -0.315 0.000 1.181 148 A CA 1.612 53.519 52.037 -0.217 0.000 0.627 148 A CB -0.758 18.140 19.000 -0.170 0.000 0.818 148 A HN 0.466 nan 8.150 nan 0.000 0.445 149 L N -0.746 120.226 121.223 -0.418 0.000 2.156 149 L HA -0.124 4.217 4.340 0.001 0.000 0.208 149 L C 2.508 178.972 176.870 -0.675 0.000 1.095 149 L CA 0.967 55.401 54.840 -0.676 0.000 0.770 149 L CB -0.635 41.021 42.059 -0.671 0.000 0.914 149 L HN 0.371 nan 8.230 nan 0.000 0.439 150 E N 0.544 120.506 120.200 -0.397 0.000 2.110 150 E HA -0.222 4.129 4.350 0.001 0.000 0.193 150 E C 1.934 178.381 176.600 -0.256 0.000 0.988 150 E CA 1.224 57.466 56.400 -0.265 0.000 0.804 150 E CB 0.012 29.601 29.700 -0.185 0.000 0.745 150 E HN 0.597 nan 8.360 nan 0.000 0.458 151 E N 0.440 120.478 120.200 -0.270 0.000 2.170 151 E HA -0.088 4.263 4.350 0.001 0.000 0.191 151 E C 2.026 178.514 176.600 -0.186 0.000 0.981 151 E CA 0.524 56.802 56.400 -0.203 0.000 0.830 151 E CB 0.131 29.723 29.700 -0.180 0.000 0.775 151 E HN 0.013 nan 8.360 nan 0.000 0.470 152 K N 0.292 120.527 120.400 -0.275 0.000 2.031 152 K HA -0.141 4.180 4.320 0.001 0.000 0.205 152 K C 0.892 177.444 176.600 -0.081 0.000 1.049 152 K CA 1.446 57.615 56.287 -0.197 0.000 0.939 152 K CB 0.178 32.538 32.500 -0.234 0.000 0.717 152 K HN 0.222 nan 8.250 nan 0.000 0.438 153 Y N -3.718 116.540 120.300 -0.069 0.000 2.888 153 Y HA 0.426 4.977 4.550 0.001 0.000 0.260 153 Y C 0.420 176.279 175.900 -0.068 0.000 1.113 153 Y CA -0.503 57.558 58.100 -0.065 0.000 1.237 153 Y CB 0.091 38.514 38.460 -0.061 0.000 1.307 153 Y HN 0.110 nan 8.280 nan 0.000 0.580 154 G N 0.432 109.200 108.800 -0.054 0.000 2.148 154 G HA2 0.058 4.018 3.960 0.001 0.000 0.254 154 G HA3 0.058 4.018 3.960 0.001 0.000 0.254 154 G C 1.369 176.303 174.900 0.058 0.000 0.981 154 G CA 0.657 45.753 45.100 -0.008 0.000 0.670 154 G HN 1.669 nan 8.290 nan 0.000 0.528 155 G N -0.333 108.459 108.800 -0.013 0.000 2.596 155 G HA2 -0.253 3.708 3.960 0.001 0.000 0.304 155 G HA3 -0.253 3.708 3.960 0.001 0.000 0.304 155 G C 0.839 175.838 174.900 0.165 0.000 1.189 155 G CA 0.895 46.026 45.100 0.052 0.000 0.986 155 G HN 1.014 nan 8.290 nan 0.000 0.548 156 F N 1.334 121.458 119.950 0.289 0.000 2.699 156 F HA 0.267 4.795 4.527 0.001 0.000 0.298 156 F C 2.566 178.419 175.800 0.089 0.000 1.154 156 F CA 0.884 59.029 58.000 0.242 0.000 1.457 156 F CB -0.097 39.107 39.000 0.341 0.000 1.106 156 F HN 0.169 nan 8.300 nan 0.000 0.585 157 L N -0.494 120.786 121.223 0.094 0.000 2.552 157 L HA -0.073 4.267 4.340 0.001 0.000 0.227 157 L C 0.514 177.381 176.870 -0.005 0.000 1.146 157 L CA 0.050 54.844 54.840 -0.077 0.000 0.858 157 L CB -0.619 41.323 42.059 -0.196 0.000 0.969 157 L HN -0.048 nan 8.230 nan 0.000 0.451 158 D N 1.571 122.006 120.400 0.060 0.000 2.659 158 D HA -0.139 4.501 4.640 0.001 0.000 0.264 158 D C 1.088 177.287 176.300 -0.169 0.000 1.329 158 D CA 0.659 54.638 54.000 -0.035 0.000 0.963 158 D CB 0.602 41.312 40.800 -0.151 0.000 1.136 158 D HN 0.149 nan 8.370 nan 0.000 0.554 159 K N 1.672 121.960 120.400 -0.186 0.000 2.362 159 K HA -0.098 4.223 4.320 0.001 0.000 0.200 159 K C 1.800 178.126 176.600 -0.456 0.000 1.046 159 K CA 1.000 57.110 56.287 -0.296 0.000 0.952 159 K CB 0.029 32.434 32.500 -0.157 0.000 0.753 159 K HN 0.450 nan 8.250 nan 0.000 0.466 160 S N -0.181 115.322 115.700 -0.329 0.000 2.528 160 S HA -0.079 4.392 4.470 0.001 0.000 0.219 160 S C 0.298 174.811 174.600 -0.145 0.000 0.985 160 S CA -0.090 57.975 58.200 -0.226 0.000 0.914 160 S CB -0.261 62.855 63.200 -0.141 0.000 0.776 160 S HN 0.314 nan 8.310 nan 0.000 0.526 161 H N 0.449 119.528 119.070 0.015 0.000 2.741 161 H HA -0.118 4.439 4.556 0.001 0.000 0.305 161 H C 0.731 176.080 175.328 0.035 0.000 1.169 161 H CA 1.441 57.529 56.048 0.066 0.000 1.144 161 H CB -1.569 28.280 29.762 0.146 0.000 1.397 161 H HN 0.617 nan 8.280 nan 0.000 0.409 162 K N -1.138 119.280 120.400 0.030 0.000 2.625 162 K HA 0.154 4.475 4.320 0.001 0.000 0.202 162 K C 1.888 178.446 176.600 -0.071 0.000 1.412 162 K CA 0.487 56.776 56.287 0.003 0.000 0.989 162 K CB 0.581 33.072 32.500 -0.015 0.000 1.682 162 K HN 0.023 nan 8.250 nan 0.000 0.496 163 S N 1.796 117.356 115.700 -0.235 0.000 2.356 163 S HA -0.139 4.331 4.470 0.001 0.000 0.223 163 S C 1.823 176.253 174.600 -0.283 0.000 1.032 163 S CA 1.473 59.455 58.200 -0.363 0.000 1.005 163 S CB -0.223 62.501 63.200 -0.793 0.000 0.867 163 S HN 0.316 nan 8.310 nan 0.000 0.449 164 I N 1.736 122.091 120.570 -0.360 0.000 2.286 164 I HA -0.097 4.074 4.170 0.001 0.000 0.248 164 I C 1.958 178.140 176.117 0.109 0.000 1.115 164 I CA 1.028 62.297 61.300 -0.051 0.000 1.392 164 I CB -0.364 37.542 38.000 -0.158 0.000 1.065 164 I HN 0.064 nan 8.210 nan 0.000 0.418 165 V N 0.404 120.379 119.914 0.101 0.000 2.358 165 V HA -0.264 3.856 4.120 0.001 0.000 0.246 165 V C 2.392 178.612 176.094 0.211 0.000 1.047 165 V CA 2.115 64.529 62.300 0.190 0.000 1.035 165 V CB -0.807 31.109 31.823 0.156 0.000 0.658 165 V HN 0.443 nan 8.190 nan 0.000 0.452 166 E N -0.180 120.108 120.200 0.146 0.000 2.106 166 E HA -0.197 4.153 4.350 0.001 0.000 0.192 166 E C 1.955 178.683 176.600 0.213 0.000 0.984 166 E CA 1.326 57.815 56.400 0.148 0.000 0.806 166 E CB -0.131 29.622 29.700 0.088 0.000 0.750 166 E HN 0.576 nan 8.360 nan 0.000 0.458 167 D N -0.176 120.386 120.400 0.270 0.000 2.149 167 D HA -0.145 4.496 4.640 0.001 0.000 0.201 167 D C 1.657 178.247 176.300 0.482 0.000 0.972 167 D CA 0.779 55.030 54.000 0.418 0.000 0.835 167 D CB -0.223 40.873 40.800 0.495 0.000 0.966 167 D HN 0.198 nan 8.370 nan 0.000 0.476 168 Y N 1.593 122.058 120.300 0.276 0.000 2.200 168 Y HA -0.184 4.366 4.550 0.001 0.000 0.290 168 Y C 2.240 178.066 175.900 -0.123 0.000 1.137 168 Y CA 1.613 59.675 58.100 -0.063 0.000 1.163 168 Y CB -0.324 38.178 38.460 0.069 0.000 0.988 168 Y HN -0.148 nan 8.280 nan 0.000 0.518 169 T N -0.147 114.447 114.554 0.067 0.000 2.788 169 T HA -0.230 4.120 4.350 0.001 0.000 0.268 169 T C 1.410 176.012 174.700 -0.164 0.000 1.044 169 T CA 1.694 63.768 62.100 -0.044 0.000 1.139 169 T CB -0.665 68.277 68.868 0.124 0.000 0.867 169 T HN 0.569 nan 8.240 nan 0.000 0.454 170 Y N 1.138 121.362 120.300 -0.128 0.000 2.220 170 Y HA -0.040 4.511 4.550 0.001 0.000 0.291 170 Y C 1.988 177.767 175.900 -0.202 0.000 1.129 170 Y CA 0.618 58.654 58.100 -0.106 0.000 1.161 170 Y CB -0.527 37.943 38.460 0.016 0.000 0.997 170 Y HN 0.204 nan 8.280 nan 0.000 0.522 171 F N 0.991 120.630 119.950 -0.518 0.000 2.069 171 F HA -0.195 4.333 4.527 0.001 0.000 0.298 171 F C 2.285 177.504 175.800 -0.969 0.000 1.113 171 F CA 1.707 59.236 58.000 -0.784 0.000 1.214 171 F CB -1.243 36.992 39.000 -1.275 0.000 0.978 171 F HN 0.066 nan 8.300 nan 0.000 0.474 172 A N 0.410 122.364 122.820 -1.445 0.000 1.940 172 A HA -0.254 4.066 4.320 0.001 0.000 0.219 172 A C 2.415 178.931 177.584 -1.780 0.000 1.176 172 A CA 1.935 52.903 52.037 -1.782 0.000 0.631 172 A CB -0.950 17.135 19.000 -1.526 0.000 0.814 172 A HN 0.508 nan 8.150 nan 0.000 0.446 173 K N -0.277 119.475 120.400 -1.080 0.000 2.057 173 K HA -0.102 4.218 4.320 0.001 0.000 0.207 173 K C 1.822 178.002 176.600 -0.700 0.000 1.049 173 K CA 1.623 57.471 56.287 -0.732 0.000 0.931 173 K CB -0.263 32.016 32.500 -0.369 0.000 0.714 173 K HN 0.265 nan 8.250 nan 0.000 0.440 174 V N 0.889 120.355 119.914 -0.748 0.000 2.343 174 V HA -0.321 3.799 4.120 0.001 0.000 0.247 174 V C 2.476 178.284 176.094 -0.478 0.000 1.051 174 V CA 1.688 63.663 62.300 -0.541 0.000 1.036 174 V CB -0.471 31.082 31.823 -0.449 0.000 0.654 174 V HN 0.502 nan 8.190 nan 0.000 0.451 175 C N -0.398 118.544 119.300 -0.598 0.000 2.429 175 C HA -0.114 4.347 4.460 0.001 0.000 0.277 175 C C 2.518 177.358 174.990 -0.250 0.000 1.262 175 C CA 0.499 59.323 59.018 -0.322 0.000 1.733 175 C CB -1.245 26.140 27.740 -0.591 0.000 2.010 175 C HN 0.518 nan 8.230 nan 0.000 0.483 176 F N 1.511 121.046 119.950 -0.692 0.000 2.146 176 F HA -0.073 4.455 4.527 0.001 0.000 0.298 176 F C 2.224 177.798 175.800 -0.377 0.000 1.096 176 F CA 1.082 58.649 58.000 -0.722 0.000 1.275 176 F CB -1.383 36.776 39.000 -1.401 0.000 1.008 176 F HN 0.248 nan 8.300 nan 0.000 0.480 177 D N 0.085 120.379 120.400 -0.176 0.000 2.084 177 D HA -0.163 4.477 4.640 0.001 0.000 0.194 177 D C 1.782 178.019 176.300 -0.105 0.000 0.990 177 D CA 1.454 55.436 54.000 -0.031 0.000 0.826 177 D CB -0.600 40.153 40.800 -0.078 0.000 0.971 177 D HN 0.299 nan 8.370 nan 0.000 0.453 178 N N -1.156 117.342 118.700 -0.337 0.000 2.416 178 N HA 0.003 4.744 4.740 0.001 0.000 0.177 178 N C 0.608 175.774 175.510 -0.574 0.000 1.036 178 N CA 0.504 53.200 53.050 -0.589 0.000 0.901 178 N CB 0.215 38.089 38.487 -1.023 0.000 0.976 178 N HN 0.107 nan 8.380 nan 0.000 0.444 179 F N -2.222 117.840 119.950 0.188 0.000 2.817 179 F HA 0.437 4.965 4.527 0.001 0.000 0.333 179 F C 1.997 177.990 175.800 0.322 0.000 1.085 179 F CA -0.589 57.556 58.000 0.242 0.000 1.170 179 F CB -0.316 38.857 39.000 0.289 0.000 1.066 179 F HN -0.112 nan 8.300 nan 0.000 0.564 180 G N 0.952 110.048 108.800 0.493 0.000 2.443 180 G HA2 -0.236 3.724 3.960 0.001 0.000 0.219 180 G HA3 -0.236 3.724 3.960 0.001 0.000 0.219 180 G C 1.415 176.508 174.900 0.322 0.000 1.131 180 G CA 1.278 46.686 45.100 0.514 0.000 0.775 180 G HN 0.405 nan 8.290 nan 0.000 0.547 181 D N 0.617 121.154 120.400 0.228 0.000 2.219 181 D HA -0.070 4.570 4.640 0.001 0.000 0.205 181 D C 1.839 178.216 176.300 0.128 0.000 0.970 181 D CA 0.848 54.938 54.000 0.151 0.000 0.851 181 D CB -0.105 40.762 40.800 0.113 0.000 0.943 181 D HN 0.145 nan 8.370 nan 0.000 0.488 182 K N 0.013 120.501 120.400 0.146 0.000 2.335 182 K HA 0.212 4.532 4.320 0.001 0.000 0.195 182 K C 0.291 176.907 176.600 0.027 0.000 1.058 182 K CA -0.053 56.289 56.287 0.091 0.000 0.988 182 K CB 0.958 33.522 32.500 0.107 0.000 0.880 182 K HN 0.085 nan 8.250 nan 0.000 0.513 183 V N 2.952 122.876 119.914 0.017 0.000 2.383 183 V HA 0.189 4.310 4.120 0.001 0.000 0.275 183 V C 0.751 176.735 176.094 -0.184 0.000 1.036 183 V CA -0.172 61.983 62.300 -0.241 0.000 0.889 183 V CB 1.356 32.802 31.823 -0.629 0.000 0.985 183 V HN 0.128 nan 8.190 nan 0.000 0.459 184 K N 3.015 123.251 120.400 -0.273 0.000 2.374 184 K HA 0.329 4.650 4.320 0.001 0.000 0.202 184 K C -0.093 176.315 176.600 -0.321 0.000 1.040 184 K CA -0.066 56.120 56.287 -0.168 0.000 1.085 184 K CB 0.420 32.850 32.500 -0.116 0.000 0.873 184 K HN 0.524 nan 8.250 nan 0.000 0.539 185 N N 0.493 118.805 118.700 -0.646 0.000 2.558 185 N HA 0.160 4.900 4.740 0.001 0.000 0.285 185 N C -1.686 173.366 175.510 -0.763 0.000 1.112 185 N CA -0.339 52.275 53.050 -0.726 0.000 0.857 185 N CB 1.001 38.692 38.487 -1.326 0.000 1.376 185 N HN 0.016 nan 8.380 nan 0.000 0.526 186 W N 2.194 123.269 121.300 -0.375 0.000 2.606 186 W HA 0.620 5.281 4.660 0.001 0.000 0.332 186 W C -0.160 176.202 176.519 -0.261 0.000 1.052 186 W CA -0.648 56.498 57.345 -0.332 0.000 1.223 186 W CB 1.476 30.717 29.460 -0.366 0.000 1.383 186 W HN 0.145 nan 8.180 nan 0.000 0.524 187 L N 2.572 123.805 121.223 0.017 0.000 2.376 187 L HA 0.328 4.668 4.340 0.001 0.000 0.275 187 L C 1.249 178.114 176.870 -0.008 0.000 0.987 187 L CA -0.566 54.260 54.840 -0.025 0.000 0.828 187 L CB 1.998 43.987 42.059 -0.117 0.000 1.249 187 L HN 0.673 nan 8.230 nan 0.000 0.409 188 T N -0.446 114.141 114.554 0.055 0.000 2.737 188 T HA 0.055 4.406 4.350 0.001 0.000 0.265 188 T C 0.400 174.938 174.700 -0.271 0.000 1.038 188 T CA 1.103 63.208 62.100 0.009 0.000 1.144 188 T CB -0.074 68.995 68.868 0.336 0.000 0.866 188 T HN 0.144 nan 8.240 nan 0.000 0.434 189 F N 1.051 120.988 119.950 -0.021 0.000 2.588 189 F HA 0.608 5.135 4.527 0.001 0.000 0.314 189 F C -0.254 175.421 175.800 -0.209 0.000 1.069 189 F CA -1.548 56.410 58.000 -0.069 0.000 0.931 189 F CB 1.886 40.767 39.000 -0.198 0.000 1.260 189 F HN 0.021 nan 8.300 nan 0.000 0.465 190 N N 0.749 119.415 118.700 -0.057 0.000 2.372 190 N HA 0.330 5.071 4.740 0.001 0.000 0.291 190 N C -1.546 173.904 175.510 -0.100 0.000 1.024 190 N CA -0.350 52.535 53.050 -0.275 0.000 0.873 190 N CB 0.778 38.797 38.487 -0.780 0.000 1.206 190 N HN 0.520 nan 8.380 nan 0.000 0.486 191 D N 2.885 123.210 120.400 -0.125 0.000 2.802 191 D HA -0.141 4.500 4.640 0.001 0.000 0.229 191 D C -1.656 174.539 176.300 -0.174 0.000 1.203 191 D CA 0.205 54.171 54.000 -0.056 0.000 0.712 191 D CB -0.339 40.552 40.800 0.152 0.000 0.973 191 D HN 0.564 nan 8.370 nan 0.000 0.407 192 P HA -0.245 nan 4.420 nan 0.000 0.216 192 P C 1.540 178.317 177.300 -0.872 0.000 1.150 192 P CA 1.122 63.680 63.100 -0.903 0.000 0.837 192 P CB 0.333 30.929 31.700 -1.840 0.000 0.786 193 Q N -0.081 119.315 119.800 -0.672 0.000 2.020 193 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 193 Q C 2.060 177.886 176.000 -0.291 0.000 0.982 193 Q CA 2.128 57.742 55.803 -0.314 0.000 0.838 193 Q CB -1.066 27.680 28.738 0.014 0.000 0.899 193 Q HN 0.157 nan 8.270 nan 0.000 0.423 194 T N 1.173 115.505 114.554 -0.369 0.000 2.746 194 T HA -0.140 4.211 4.350 0.001 0.000 0.267 194 T C 1.480 175.755 174.700 -0.709 0.000 1.039 194 T CA 1.347 63.039 62.100 -0.680 0.000 1.142 194 T CB -0.532 67.936 68.868 -0.666 0.000 0.866 194 T HN 0.342 nan 8.240 nan 0.000 0.444 195 F N 2.590 122.085 119.950 -0.758 0.000 2.095 195 F HA -0.217 4.311 4.527 0.001 0.000 0.298 195 F C 2.642 178.186 175.800 -0.428 0.000 1.104 195 F CA 2.020 59.539 58.000 -0.801 0.000 1.232 195 F CB -0.882 37.643 39.000 -0.792 0.000 0.987 195 F HN 0.250 nan 8.300 nan 0.000 0.475 196 T N -2.781 111.590 114.554 -0.304 0.000 2.770 196 T HA -0.113 4.238 4.350 0.001 0.000 0.263 196 T C 2.147 176.780 174.700 -0.112 0.000 1.039 196 T CA 1.408 63.426 62.100 -0.137 0.000 1.142 196 T CB -0.928 67.984 68.868 0.073 0.000 0.868 196 T HN 0.252 nan 8.240 nan 0.000 0.435 197 S N 0.798 116.447 115.700 -0.085 0.000 2.383 197 S HA 0.150 4.621 4.470 0.001 0.000 0.227 197 S C 1.578 176.159 174.600 -0.031 0.000 1.026 197 S CA 0.969 59.174 58.200 0.008 0.000 0.981 197 S CB -0.540 62.723 63.200 0.105 0.000 0.818 197 S HN 0.581 nan 8.310 nan 0.000 0.472 198 F N 1.048 120.648 119.950 -0.583 0.000 2.387 198 F HA 0.038 4.565 4.527 0.001 0.000 0.294 198 F C 2.568 177.936 175.800 -0.718 0.000 1.093 198 F CA 0.116 57.639 58.000 -0.795 0.000 1.420 198 F CB 0.042 38.124 39.000 -1.530 0.000 1.086 198 F HN 0.127 nan 8.300 nan 0.000 0.531 199 S N -0.897 114.426 115.700 -0.629 0.000 2.395 199 S HA -0.113 4.357 4.470 0.001 0.000 0.225 199 S C 0.752 174.766 174.600 -0.977 0.000 1.027 199 S CA 0.961 58.582 58.200 -0.965 0.000 0.965 199 S CB -0.202 62.017 63.200 -1.635 0.000 0.812 199 S HN 0.364 nan 8.310 nan 0.000 0.482 200 Y N 0.042 120.171 120.300 -0.285 0.000 2.527 200 Y HA 0.452 5.002 4.550 0.001 0.000 0.247 200 Y C 1.878 177.677 175.900 -0.169 0.000 1.138 200 Y CA -0.428 57.554 58.100 -0.197 0.000 1.228 200 Y CB -0.279 38.088 38.460 -0.155 0.000 1.252 200 Y HN 0.229 nan 8.280 nan 0.000 0.531 201 G N 0.016 108.757 108.800 -0.099 0.000 2.765 201 G HA2 -0.061 3.900 3.960 0.001 0.000 0.218 201 G HA3 -0.061 3.900 3.960 0.001 0.000 0.218 201 G C 1.554 176.346 174.900 -0.179 0.000 1.271 201 G CA 0.886 45.915 45.100 -0.118 0.000 0.865 201 G HN 0.273 nan 8.290 nan 0.000 0.604 202 T N -1.934 112.458 114.554 -0.269 0.000 3.067 202 T HA 0.336 4.686 4.350 0.001 0.000 0.257 202 T C 1.916 176.412 174.700 -0.339 0.000 1.105 202 T CA 1.154 63.050 62.100 -0.341 0.000 1.104 202 T CB 0.059 68.614 68.868 -0.523 0.000 0.925 202 T HN 1.539 nan 8.240 nan 0.000 0.498 203 G N 1.245 109.843 108.800 -0.337 0.000 2.160 203 G HA2 -0.311 3.650 3.960 0.001 0.000 0.251 203 G HA3 -0.311 3.650 3.960 0.001 0.000 0.251 203 G C 0.889 175.606 174.900 -0.305 0.000 1.008 203 G CA 0.621 45.538 45.100 -0.304 0.000 0.724 203 G HN 1.304 nan 8.290 nan 0.000 0.514 204 V N -3.954 115.721 119.914 -0.399 0.000 3.306 204 V HA 0.518 4.639 4.120 0.001 0.000 0.264 204 V C 1.135 177.331 176.094 0.171 0.000 1.149 204 V CA 0.458 62.579 62.300 -0.297 0.000 1.143 204 V CB -0.523 30.812 31.823 -0.813 0.000 0.767 204 V HN 0.192 nan 8.190 nan 0.000 0.476 205 F N 1.223 121.009 119.950 -0.272 0.000 2.483 205 F HA 0.846 5.374 4.527 0.001 0.000 0.329 205 F C 0.863 175.909 175.800 -1.257 0.000 1.064 205 F CA -1.753 56.000 58.000 -0.411 0.000 0.986 205 F CB 1.287 40.134 39.000 -0.256 0.000 1.218 205 F HN 0.108 nan 8.300 nan 0.000 0.484 206 A N 3.530 125.254 122.820 -1.827 0.000 2.565 206 A HA 0.267 4.588 4.320 0.001 0.000 0.237 206 A C -1.760 175.241 177.584 -0.971 0.000 1.053 206 A CA -0.595 50.377 52.037 -1.776 0.000 0.755 206 A CB -0.543 17.424 19.000 -1.722 0.000 0.980 206 A HN 0.506 nan 8.150 nan 0.000 0.506 207 P HA 0.173 nan 4.420 nan 0.000 0.261 207 P C 0.605 177.677 177.300 -0.379 0.000 1.268 207 P CA 0.954 63.772 63.100 -0.470 0.000 0.833 207 P CB 0.300 31.898 31.700 -0.170 0.000 1.231 208 G N 0.500 108.979 108.800 -0.536 0.000 2.356 208 G HA2 -0.196 3.764 3.960 0.001 0.000 0.233 208 G HA3 -0.196 3.764 3.960 0.001 0.000 0.233 208 G C -0.324 174.548 174.900 -0.046 0.000 1.105 208 G CA -0.686 44.246 45.100 -0.280 0.000 0.861 208 G HN 0.314 nan 8.290 nan 0.000 0.493 209 R N -0.732 119.711 120.500 -0.095 0.000 2.604 209 R HA 0.851 5.192 4.340 0.001 0.000 0.287 209 R C 0.565 176.846 176.300 -0.033 0.000 0.970 209 R CA 0.115 56.227 56.100 0.019 0.000 0.946 209 R CB 1.671 32.035 30.300 0.106 0.000 1.127 209 R HN 0.959 nan 8.270 nan 0.000 0.473 210 c N -1.601 116.989 118.600 -0.017 0.000 3.295 210 c HA 0.494 5.065 4.570 0.001 0.000 0.341 210 c C -0.160 173.908 174.090 -0.037 0.000 1.418 210 c CA -1.134 55.165 56.329 -0.051 0.000 1.240 210 c CB 1.240 43.690 42.510 -0.100 0.000 1.562 210 c HN 0.730 nan 8.230 nan 0.000 0.457 211 S N 2.387 118.056 115.700 -0.053 0.000 2.573 211 S HA 0.415 4.886 4.470 0.001 0.000 0.277 211 S C -2.452 172.120 174.600 -0.046 0.000 1.346 211 S CA 0.097 58.269 58.200 -0.047 0.000 1.034 211 S CB 0.036 63.201 63.200 -0.059 0.000 0.879 211 S HN 0.744 nan 8.310 nan 0.000 0.528 212 P HA 0.135 nan 4.420 nan 0.000 0.264 212 P C 0.915 178.186 177.300 -0.049 0.000 1.183 212 P CA 1.086 64.164 63.100 -0.037 0.000 0.763 212 P CB 0.122 31.805 31.700 -0.028 0.000 0.807 213 G N 1.533 110.303 108.800 -0.051 0.000 2.213 213 G HA2 -0.198 3.762 3.960 0.001 0.000 0.236 213 G HA3 -0.198 3.762 3.960 0.001 0.000 0.236 213 G C -0.123 174.736 174.900 -0.069 0.000 0.991 213 G CA -0.366 44.700 45.100 -0.057 0.000 0.629 213 G HN 0.447 nan 8.290 nan 0.000 0.517 214 L N 0.602 121.779 121.223 -0.077 0.000 2.352 214 L HA 0.575 4.916 4.340 0.001 0.000 0.269 214 L C -0.205 176.605 176.870 -0.100 0.000 1.034 214 L CA -0.923 53.860 54.840 -0.094 0.000 0.806 214 L CB 1.364 43.359 42.059 -0.106 0.000 1.244 214 L HN 0.063 nan 8.230 nan 0.000 0.447 215 D N 1.642 121.974 120.400 -0.114 0.000 2.494 215 D HA 0.330 4.970 4.640 0.001 0.000 0.217 215 D C -0.689 175.526 176.300 -0.142 0.000 1.153 215 D CA -0.203 53.726 54.000 -0.119 0.000 0.954 215 D CB 0.219 40.951 40.800 -0.113 0.000 1.034 215 D HN 0.600 nan 8.370 nan 0.000 0.518 216 c N 0.739 119.255 118.600 -0.141 0.000 3.340 216 c HA 0.866 5.437 4.570 0.001 0.000 0.333 216 c C 1.805 175.773 174.090 -0.203 0.000 1.464 216 c CA -0.136 56.101 56.329 -0.153 0.000 1.337 216 c CB 1.086 43.511 42.510 -0.142 0.000 1.740 216 c HN 0.368 nan 8.230 nan 0.000 0.450 217 A N -0.397 122.262 122.820 -0.267 0.000 1.933 217 A HA 0.126 4.446 4.320 0.001 0.000 0.218 217 A C 0.549 177.648 177.584 -0.808 0.000 1.175 217 A CA 1.339 53.007 52.037 -0.614 0.000 0.628 217 A CB -0.606 17.870 19.000 -0.873 0.000 0.814 217 A HN 0.947 nan 8.150 nan 0.000 0.444 218 Y N -0.612 119.623 120.300 -0.108 0.000 2.787 218 Y HA 0.319 4.870 4.550 0.001 0.000 0.352 218 Y C -2.383 173.483 175.900 -0.056 0.000 1.027 218 Y CA -2.261 55.803 58.100 -0.060 0.000 1.219 218 Y CB 1.297 39.739 38.460 -0.031 0.000 1.110 218 Y HN 0.160 nan 8.280 nan 0.000 0.614 219 P HA 0.061 nan 4.420 nan 0.000 0.218 219 P C 0.453 177.763 177.300 0.017 0.000 1.793 219 P CA 0.115 63.212 63.100 -0.005 0.000 0.941 219 P CB -0.283 31.390 31.700 -0.044 0.000 1.919 220 T N -3.878 110.705 114.554 0.049 0.000 3.337 220 T HA 0.420 4.771 4.350 0.001 0.000 0.299 220 T C 0.768 175.483 174.700 0.024 0.000 0.998 220 T CA -0.276 61.846 62.100 0.037 0.000 0.948 220 T CB 0.174 69.077 68.868 0.059 0.000 1.170 220 T HN 0.102 nan 8.240 nan 0.000 0.508 221 G N 1.217 110.030 108.800 0.021 0.000 2.945 221 G HA2 0.573 4.533 3.960 0.001 0.000 0.156 221 G HA3 0.573 4.533 3.960 0.001 0.000 0.156 221 G C -0.861 174.035 174.900 -0.008 0.000 1.375 221 G CA -0.706 44.400 45.100 0.010 0.000 1.039 221 G HN 0.382 nan 8.290 nan 0.000 0.586 222 N N -1.223 117.470 118.700 -0.012 0.000 2.699 222 N HA 0.160 4.901 4.740 0.001 0.000 0.271 222 N C 0.452 175.945 175.510 -0.028 0.000 1.216 222 N CA -0.384 52.652 53.050 -0.023 0.000 0.844 222 N CB 1.560 40.035 38.487 -0.021 0.000 1.462 222 N HN 0.103 nan 8.380 nan 0.000 0.555 223 S N 1.984 117.657 115.700 -0.045 0.000 2.474 223 S HA -0.033 4.438 4.470 0.001 0.000 0.235 223 S C 1.464 176.015 174.600 -0.082 0.000 0.997 223 S CA 0.436 58.596 58.200 -0.066 0.000 0.949 223 S CB 0.153 63.300 63.200 -0.088 0.000 0.766 223 S HN 0.470 nan 8.310 nan 0.000 0.517 224 L N 0.162 121.354 121.223 -0.051 0.000 2.529 224 L HA 0.245 4.585 4.340 0.001 0.000 0.223 224 L C 1.562 178.474 176.870 0.069 0.000 1.113 224 L CA 0.765 55.598 54.840 -0.011 0.000 0.861 224 L CB -0.218 41.836 42.059 -0.009 0.000 1.012 224 L HN 0.170 nan 8.230 nan 0.000 0.461 225 V N -2.344 117.590 119.914 0.033 0.000 3.029 225 V HA 0.065 4.186 4.120 0.001 0.000 0.230 225 V C 2.015 178.140 176.094 0.052 0.000 1.254 225 V CA 0.169 62.515 62.300 0.077 0.000 1.276 225 V CB 0.096 31.933 31.823 0.023 0.000 1.080 225 V HN 0.180 nan 8.190 nan 0.000 0.495 226 E N 0.907 121.101 120.200 -0.010 0.000 2.085 226 E HA -0.201 4.149 4.350 0.001 0.000 0.194 226 E C -0.561 176.012 176.600 -0.045 0.000 0.994 226 E CA 1.929 58.290 56.400 -0.065 0.000 0.801 226 E CB -1.061 28.581 29.700 -0.098 0.000 0.743 226 E HN 0.515 nan 8.360 nan 0.000 0.453 227 P HA -0.170 nan 4.420 nan 0.000 0.216 227 P C 0.754 178.164 177.300 0.184 0.000 1.150 227 P CA 1.281 64.427 63.100 0.076 0.000 0.837 227 P CB -0.085 31.579 31.700 -0.061 0.000 0.786 228 Y N -0.935 119.490 120.300 0.208 0.000 2.337 228 Y HA -0.080 4.471 4.550 0.001 0.000 0.293 228 Y C 2.489 178.496 175.900 0.178 0.000 1.123 228 Y CA 1.183 59.393 58.100 0.183 0.000 1.201 228 Y CB -1.722 36.667 38.460 -0.118 0.000 1.011 228 Y HN -0.078 nan 8.280 nan 0.000 0.545 229 T N 0.061 114.765 114.554 0.249 0.000 2.652 229 T HA -0.242 4.109 4.350 0.001 0.000 0.267 229 T C 2.278 177.160 174.700 0.302 0.000 1.039 229 T CA 1.614 63.859 62.100 0.241 0.000 1.153 229 T CB -0.663 68.273 68.868 0.113 0.000 0.863 229 T HN 0.423 nan 8.240 nan 0.000 0.428 230 A N 1.301 124.246 122.820 0.207 0.000 1.902 230 A HA 0.120 4.441 4.320 0.001 0.000 0.217 230 A C 2.633 180.413 177.584 0.328 0.000 1.181 230 A CA 1.865 54.065 52.037 0.272 0.000 0.623 230 A CB -1.349 17.773 19.000 0.202 0.000 0.818 230 A HN 0.520 nan 8.150 nan 0.000 0.443 231 G N -1.538 107.499 108.800 0.394 0.000 2.422 231 G HA2 -0.275 3.686 3.960 0.001 0.000 0.218 231 G HA3 -0.275 3.686 3.960 0.001 0.000 0.218 231 G C 1.506 176.709 174.900 0.505 0.000 1.146 231 G CA 1.410 46.812 45.100 0.503 0.000 0.769 231 G HN 0.702 nan 8.290 nan 0.000 0.547 232 H N 0.893 120.183 119.070 0.366 0.000 2.326 232 H HA 0.014 4.571 4.556 0.001 0.000 0.301 232 H C 2.590 178.068 175.328 0.249 0.000 1.081 232 H CA 1.654 57.867 56.048 0.275 0.000 1.334 232 H CB -0.007 29.793 29.762 0.062 0.000 1.385 232 H HN 0.180 nan 8.280 nan 0.000 0.504 233 N N 0.186 119.103 118.700 0.361 0.000 2.166 233 N HA -0.130 4.611 4.740 0.001 0.000 0.186 233 N C 2.073 177.735 175.510 0.254 0.000 1.019 233 N CA 1.273 54.533 53.050 0.350 0.000 0.856 233 N CB -0.187 38.585 38.487 0.474 0.000 0.993 233 N HN 0.428 nan 8.380 nan 0.000 0.426 234 I N 0.812 121.433 120.570 0.084 0.000 2.226 234 I HA -0.235 3.936 4.170 0.001 0.000 0.245 234 I C 2.037 177.920 176.117 -0.389 0.000 1.100 234 I CA 0.849 61.862 61.300 -0.480 0.000 1.374 234 I CB -0.119 37.373 38.000 -0.846 0.000 1.057 234 I HN 0.060 nan 8.210 nan 0.000 0.413 235 L N -0.091 121.099 121.223 -0.055 0.000 2.093 235 L HA -0.197 4.143 4.340 0.001 0.000 0.208 235 L C 2.456 179.367 176.870 0.067 0.000 1.085 235 L CA 1.121 55.989 54.840 0.046 0.000 0.755 235 L CB -0.394 41.771 42.059 0.176 0.000 0.904 235 L HN 0.249 nan 8.230 nan 0.000 0.435 236 L N -0.581 120.683 121.223 0.068 0.000 2.046 236 L HA -0.192 4.149 4.340 0.001 0.000 0.208 236 L C 2.888 179.831 176.870 0.122 0.000 1.077 236 L CA 1.170 56.060 54.840 0.084 0.000 0.747 236 L CB -0.771 41.342 42.059 0.091 0.000 0.896 236 L HN 0.243 nan 8.230 nan 0.000 0.432 237 A N -0.290 122.617 122.820 0.145 0.000 1.902 237 A HA -0.310 4.010 4.320 0.001 0.000 0.217 237 A C 2.125 179.857 177.584 0.247 0.000 1.181 237 A CA 2.075 54.236 52.037 0.207 0.000 0.623 237 A CB -0.907 18.195 19.000 0.170 0.000 0.818 237 A HN 0.577 nan 8.150 nan 0.000 0.443 238 H N -0.085 119.068 119.070 0.140 0.000 2.321 238 H HA 0.026 4.583 4.556 0.001 0.000 0.300 238 H C 2.086 177.511 175.328 0.163 0.000 1.087 238 H CA 2.124 58.307 56.048 0.224 0.000 1.319 238 H CB -0.275 29.558 29.762 0.117 0.000 1.379 238 H HN 0.371 nan 8.280 nan 0.000 0.501 239 A N 0.713 123.557 122.820 0.039 0.000 1.930 239 A HA -0.139 4.182 4.320 0.001 0.000 0.217 239 A C 2.310 179.886 177.584 -0.013 0.000 1.175 239 A CA 1.617 53.636 52.037 -0.031 0.000 0.627 239 A CB -0.332 18.675 19.000 0.012 0.000 0.815 239 A HN 0.471 nan 8.150 nan 0.000 0.443 240 E N 0.034 120.270 120.200 0.060 0.000 2.077 240 E HA -0.099 4.252 4.350 0.001 0.000 0.193 240 E C 2.324 178.985 176.600 0.102 0.000 0.989 240 E CA 1.322 57.778 56.400 0.093 0.000 0.800 240 E CB -0.599 29.185 29.700 0.140 0.000 0.746 240 E HN 0.544 nan 8.360 nan 0.000 0.452 241 A N 0.491 123.384 122.820 0.122 0.000 1.929 241 A HA -0.094 4.227 4.320 0.001 0.000 0.216 241 A C 2.558 180.215 177.584 0.122 0.000 1.176 241 A CA 1.241 53.358 52.037 0.134 0.000 0.628 241 A CB -0.472 18.636 19.000 0.180 0.000 0.816 241 A HN 0.144 nan 8.150 nan 0.000 0.444 242 V N 0.436 120.329 119.914 -0.035 0.000 2.453 242 V HA -0.212 3.908 4.120 0.001 0.000 0.247 242 V C 2.283 178.396 176.094 0.032 0.000 1.048 242 V CA 2.317 64.592 62.300 -0.042 0.000 1.049 242 V CB -0.685 31.020 31.823 -0.197 0.000 0.672 242 V HN 0.692 nan 8.190 nan 0.000 0.457 243 D N 0.021 120.433 120.400 0.020 0.000 2.097 243 D HA -0.194 4.447 4.640 0.001 0.000 0.195 243 D C 1.978 178.303 176.300 0.043 0.000 0.989 243 D CA 1.323 55.335 54.000 0.020 0.000 0.827 243 D CB -0.122 40.691 40.800 0.022 0.000 0.966 243 D HN 0.287 nan 8.370 nan 0.000 0.456 244 L N -0.485 120.810 121.223 0.120 0.000 2.046 244 L HA -0.139 4.202 4.340 0.001 0.000 0.208 244 L C 2.109 179.121 176.870 0.237 0.000 1.077 244 L CA 1.654 56.624 54.840 0.217 0.000 0.747 244 L CB -0.994 41.243 42.059 0.296 0.000 0.896 244 L HN 0.180 nan 8.230 nan 0.000 0.432 245 Y N 0.496 120.805 120.300 0.015 0.000 2.163 245 Y HA -0.233 4.317 4.550 0.001 0.000 0.288 245 Y C 2.354 178.177 175.900 -0.128 0.000 1.136 245 Y CA 2.243 60.213 58.100 -0.217 0.000 1.147 245 Y CB -0.491 37.629 38.460 -0.567 0.000 0.987 245 Y HN 0.387 nan 8.280 nan 0.000 0.509 246 N N -0.321 118.347 118.700 -0.054 0.000 2.149 246 N HA -0.189 4.551 4.740 0.001 0.000 0.188 246 N C 1.613 176.994 175.510 -0.215 0.000 1.019 246 N CA 1.447 54.422 53.050 -0.124 0.000 0.857 246 N CB -0.115 38.339 38.487 -0.054 0.000 0.997 246 N HN 0.361 nan 8.380 nan 0.000 0.426 247 K N -0.635 119.615 120.400 -0.249 0.000 2.137 247 K HA 0.037 4.357 4.320 0.001 0.000 0.202 247 K C 0.807 177.048 176.600 -0.599 0.000 1.052 247 K CA 0.805 56.825 56.287 -0.445 0.000 0.961 247 K CB 0.295 32.452 32.500 -0.572 0.000 0.741 247 K HN 0.288 nan 8.250 nan 0.000 0.452 248 H N -2.460 116.443 119.070 -0.278 0.000 3.398 248 H HA 0.169 4.726 4.556 0.001 0.000 0.260 248 H C 0.139 174.958 175.328 -0.848 0.000 1.189 248 H CA 0.218 55.953 56.048 -0.521 0.000 1.145 248 H CB 0.835 30.237 29.762 -0.600 0.000 1.599 248 H HN 0.146 nan 8.280 nan 0.000 0.615 249 Y N -0.019 120.053 120.300 -0.380 0.000 2.498 249 Y HA 0.182 4.732 4.550 0.001 0.000 0.278 249 Y C 1.050 176.463 175.900 -0.812 0.000 1.148 249 Y CA -0.354 57.394 58.100 -0.586 0.000 1.126 249 Y CB 0.940 38.929 38.460 -0.784 0.000 1.320 249 Y HN -0.218 nan 8.280 nan 0.000 0.538 250 K N 2.747 122.623 120.400 -0.874 0.000 2.401 250 K HA 0.243 4.564 4.320 0.001 0.000 0.278 250 K C -0.234 176.215 176.600 -0.253 0.000 1.018 250 K CA 0.010 55.918 56.287 -0.631 0.000 0.981 250 K CB 0.578 32.840 32.500 -0.397 0.000 0.933 250 K HN 0.181 nan 8.250 nan 0.000 0.477 251 R N 2.438 122.868 120.500 -0.117 0.000 2.893 251 R HA 0.117 4.457 4.340 0.001 0.000 0.245 251 R C 0.316 176.606 176.300 -0.017 0.000 1.192 251 R CA -0.863 55.204 56.100 -0.055 0.000 1.077 251 R CB 0.315 30.601 30.300 -0.023 0.000 1.253 251 R HN 0.648 nan 8.270 nan 0.000 0.505 252 D N 0.335 120.729 120.400 -0.009 0.000 2.263 252 D HA -0.140 4.500 4.640 0.001 0.000 0.208 252 D C 0.556 176.869 176.300 0.021 0.000 0.971 252 D CA 1.292 55.294 54.000 0.003 0.000 0.867 252 D CB 0.206 41.007 40.800 0.002 0.000 0.929 252 D HN 0.513 nan 8.370 nan 0.000 0.492 253 D N -1.238 119.178 120.400 0.026 0.000 2.431 253 D HA -0.000 4.640 4.640 0.001 0.000 0.213 253 D C 0.259 176.581 176.300 0.037 0.000 1.130 253 D CA -0.067 53.952 54.000 0.033 0.000 0.834 253 D CB -0.546 40.270 40.800 0.027 0.000 0.985 253 D HN 0.111 nan 8.370 nan 0.000 0.504 254 T N -1.967 112.624 114.554 0.063 0.000 2.944 254 T HA 0.754 5.105 4.350 0.001 0.000 0.284 254 T C -0.032 174.751 174.700 0.137 0.000 1.010 254 T CA -0.861 61.302 62.100 0.105 0.000 1.025 254 T CB 2.299 71.295 68.868 0.214 0.000 1.079 254 T HN -0.010 nan 8.240 nan 0.000 0.516 255 R N 0.398 120.966 120.500 0.114 0.000 2.668 255 R HA 0.709 5.049 4.340 0.001 0.000 0.272 255 R C -1.452 174.854 176.300 0.010 0.000 1.019 255 R CA -0.791 55.357 56.100 0.080 0.000 0.894 255 R CB 2.387 32.713 30.300 0.043 0.000 1.228 255 R HN 0.773 nan 8.270 nan 0.000 0.460 256 I N 0.611 121.188 120.570 0.012 0.000 2.730 256 I HA 0.793 4.963 4.170 0.001 0.000 0.298 256 I C -0.505 175.671 176.117 0.099 0.000 1.089 256 I CA -0.200 61.069 61.300 -0.052 0.000 1.041 256 I CB 2.241 40.067 38.000 -0.291 0.000 1.235 256 I HN 0.782 nan 8.210 nan 0.000 0.423 257 G N 5.858 114.730 108.800 0.120 0.000 2.588 257 G HA2 0.593 4.554 3.960 0.001 0.000 0.281 257 G HA3 0.593 4.554 3.960 0.001 0.000 0.281 257 G C -1.777 173.185 174.900 0.105 0.000 1.223 257 G CA -0.295 44.917 45.100 0.187 0.000 0.871 257 G HN 0.932 nan 8.290 nan 0.000 0.492 258 L N -3.401 117.763 121.223 -0.100 0.000 2.720 258 L HA 0.963 5.304 4.340 0.001 0.000 0.261 258 L C -0.942 175.611 176.870 -0.528 0.000 1.046 258 L CA -1.273 53.401 54.840 -0.276 0.000 0.886 258 L CB 1.703 43.556 42.059 -0.344 0.000 1.493 258 L HN 1.314 nan 8.230 nan 0.000 0.407 259 A N 0.937 123.439 122.820 -0.530 0.000 2.343 259 A HA 0.842 5.163 4.320 0.001 0.000 0.316 259 A C -1.383 175.900 177.584 -0.503 0.000 1.104 259 A CA -0.351 51.414 52.037 -0.454 0.000 0.768 259 A CB 0.734 19.592 19.000 -0.237 0.000 1.213 259 A HN 0.555 nan 8.150 nan 0.000 0.456 260 F N 2.204 122.132 119.950 -0.036 0.000 2.443 260 F HA 0.313 4.841 4.527 0.001 0.000 0.335 260 F C 0.633 176.451 175.800 0.031 0.000 1.104 260 F CA -0.703 57.280 58.000 -0.028 0.000 1.013 260 F CB 1.587 40.594 39.000 0.011 0.000 1.136 260 F HN 0.663 nan 8.300 nan 0.000 0.470 261 D N 1.753 122.267 120.400 0.190 0.000 2.350 261 D HA 0.304 4.945 4.640 0.001 0.000 0.249 261 D C -0.799 175.637 176.300 0.228 0.000 1.119 261 D CA -0.177 53.926 54.000 0.172 0.000 0.886 261 D CB 2.387 43.213 40.800 0.043 0.000 1.195 261 D HN 0.450 nan 8.370 nan 0.000 0.437 262 V N 2.547 122.628 119.914 0.278 0.000 2.737 262 V HA 0.257 4.377 4.120 0.001 0.000 0.298 262 V C -1.219 175.066 176.094 0.319 0.000 1.163 262 V CA -0.756 61.730 62.300 0.309 0.000 0.925 262 V CB 1.758 33.822 31.823 0.403 0.000 1.037 262 V HN 0.619 nan 8.190 nan 0.000 0.433 263 M N 5.362 125.077 119.600 0.191 0.000 2.233 263 M HA 0.515 4.996 4.480 0.001 0.000 0.355 263 M C 0.972 177.303 176.300 0.052 0.000 1.191 263 M CA 0.028 55.412 55.300 0.139 0.000 1.101 263 M CB 1.458 34.100 32.600 0.071 0.000 1.592 263 M HN 0.809 nan 8.290 nan 0.000 0.461 264 G N 2.974 111.935 108.800 0.268 0.000 2.554 264 G HA2 0.271 4.232 3.960 0.001 0.000 0.238 264 G HA3 0.271 4.232 3.960 0.001 0.000 0.238 264 G C -0.323 174.375 174.900 -0.335 0.000 1.259 264 G CA -0.589 44.560 45.100 0.082 0.000 0.843 264 G HN 0.599 nan 8.290 nan 0.000 0.582 265 R N 0.472 120.559 120.500 -0.689 0.000 2.534 265 R HA 0.530 4.870 4.340 0.001 0.000 0.301 265 R C -1.183 175.093 176.300 -0.041 0.000 0.961 265 R CA -0.742 55.056 56.100 -0.504 0.000 0.871 265 R CB 1.931 31.672 30.300 -0.933 0.000 1.170 265 R HN 0.295 nan 8.270 nan 0.000 0.446 266 V N 3.904 123.814 119.914 -0.006 0.000 2.656 266 V HA 0.389 4.509 4.120 0.001 0.000 0.307 266 V C -2.304 173.945 176.094 0.259 0.000 1.051 266 V CA -2.354 60.039 62.300 0.156 0.000 0.893 266 V CB 2.524 34.380 31.823 0.055 0.000 0.999 266 V HN 0.552 nan 8.190 nan 0.000 0.426 267 P HA 0.071 nan 4.420 nan 0.000 0.268 267 P C 0.035 177.516 177.300 0.302 0.000 1.204 267 P CA 0.177 63.429 63.100 0.253 0.000 0.768 267 P CB 0.443 32.259 31.700 0.194 0.000 0.842 268 Y N 4.130 124.506 120.300 0.128 0.000 2.114 268 Y HA -0.057 4.493 4.550 0.000 0.000 0.284 268 Y C 1.335 177.161 175.900 -0.123 0.000 1.143 268 Y CA 2.372 60.459 58.100 -0.022 0.000 1.135 268 Y CB -0.484 37.956 38.460 -0.034 0.000 0.980 268 Y HN 0.444 nan 8.280 nan 0.000 0.499 269 G N -2.163 106.665 108.800 0.046 0.000 3.175 269 G HA2 0.321 4.281 3.960 0.001 0.000 0.255 269 G HA3 0.321 4.281 3.960 0.001 0.000 0.255 269 G C 0.294 175.200 174.900 0.009 0.000 1.352 269 G CA 0.018 45.090 45.100 -0.048 0.000 1.037 269 G HN 0.176 nan 8.290 nan 0.000 0.556 270 T N -2.471 112.084 114.554 0.001 0.000 3.100 270 T HA 0.175 4.526 4.350 0.001 0.000 0.253 270 T C 1.391 176.118 174.700 0.044 0.000 1.118 270 T CA 0.717 62.835 62.100 0.030 0.000 1.058 270 T CB -0.006 68.875 68.868 0.021 0.000 0.953 270 T HN 0.493 nan 8.240 nan 0.000 0.515 271 S N 1.337 117.041 115.700 0.006 0.000 2.560 271 S HA 0.201 4.672 4.470 0.001 0.000 0.284 271 S C 1.049 175.629 174.600 -0.034 0.000 1.327 271 S CA -0.744 57.419 58.200 -0.063 0.000 1.055 271 S CB -0.164 62.932 63.200 -0.172 0.000 0.868 271 S HN 0.477 nan 8.310 nan 0.000 0.506 272 F N 4.281 124.257 119.950 0.044 0.000 2.250 272 F HA -0.043 4.485 4.527 0.001 0.000 0.301 272 F C 1.410 177.240 175.800 0.050 0.000 1.077 272 F CA 0.951 58.979 58.000 0.046 0.000 1.348 272 F CB -0.580 38.441 39.000 0.034 0.000 1.040 272 F HN 0.501 nan 8.300 nan 0.000 0.509 273 L N 0.587 121.470 121.223 -0.566 0.000 2.079 273 L HA -0.194 4.147 4.340 0.001 0.000 0.210 273 L C 1.984 178.818 176.870 -0.059 0.000 1.081 273 L CA 1.403 56.067 54.840 -0.293 0.000 0.752 273 L CB -0.812 41.009 42.059 -0.397 0.000 0.896 273 L HN 0.121 nan 8.230 nan 0.000 0.433 274 D N -0.368 120.015 120.400 -0.028 0.000 2.234 274 D HA -0.139 4.502 4.640 0.001 0.000 0.205 274 D C 2.081 178.450 176.300 0.115 0.000 0.962 274 D CA 0.742 54.778 54.000 0.059 0.000 0.855 274 D CB 0.077 40.935 40.800 0.097 0.000 0.951 274 D HN 0.075 nan 8.370 nan 0.000 0.500 275 K N 1.171 121.650 120.400 0.133 0.000 2.057 275 K HA -0.110 4.210 4.320 0.001 0.000 0.207 275 K C 1.933 178.638 176.600 0.174 0.000 1.049 275 K CA 1.289 57.679 56.287 0.171 0.000 0.931 275 K CB -0.179 32.431 32.500 0.183 0.000 0.714 275 K HN 0.080 nan 8.250 nan 0.000 0.440 276 Q N -0.507 119.392 119.800 0.165 0.000 2.084 276 Q HA -0.108 4.233 4.340 0.001 0.000 0.202 276 Q C 2.101 178.182 176.000 0.135 0.000 0.978 276 Q CA 1.612 57.507 55.803 0.154 0.000 0.844 276 Q CB -0.270 28.562 28.738 0.157 0.000 0.898 276 Q HN 0.449 nan 8.270 nan 0.000 0.426 277 A N 1.294 124.179 122.820 0.108 0.000 1.877 277 A HA -0.260 4.061 4.320 0.001 0.000 0.216 277 A C 2.004 179.655 177.584 0.111 0.000 1.186 277 A CA 1.579 53.671 52.037 0.091 0.000 0.620 277 A CB -0.589 18.445 19.000 0.056 0.000 0.822 277 A HN 0.418 nan 8.150 nan 0.000 0.443 278 E N -0.208 120.077 120.200 0.141 0.000 2.058 278 E HA -0.241 4.109 4.350 0.001 0.000 0.194 278 E C 1.822 178.583 176.600 0.270 0.000 0.997 278 E CA 1.485 57.982 56.400 0.163 0.000 0.801 278 E CB -0.170 29.669 29.700 0.233 0.000 0.746 278 E HN 0.612 nan 8.360 nan 0.000 0.450 279 E N 0.434 120.815 120.200 0.302 0.000 2.077 279 E HA -0.165 4.186 4.350 0.001 0.000 0.193 279 E C 2.243 179.015 176.600 0.287 0.000 0.989 279 E CA 0.754 57.360 56.400 0.344 0.000 0.800 279 E CB -0.273 29.566 29.700 0.232 0.000 0.746 279 E HN 0.307 nan 8.360 nan 0.000 0.452 280 R N 0.503 121.124 120.500 0.202 0.000 2.159 280 R HA -0.050 4.290 4.340 0.001 0.000 0.237 280 R C 2.451 178.842 176.300 0.153 0.000 1.131 280 R CA 1.176 57.376 56.100 0.166 0.000 0.982 280 R CB -0.114 30.267 30.300 0.134 0.000 0.868 280 R HN 0.023 nan 8.270 nan 0.000 0.453 281 S N -0.269 115.507 115.700 0.126 0.000 2.377 281 S HA -0.090 4.381 4.470 0.001 0.000 0.223 281 S C 1.437 176.087 174.600 0.083 0.000 1.030 281 S CA 0.693 58.923 58.200 0.050 0.000 0.970 281 S CB -0.208 62.960 63.200 -0.053 0.000 0.830 281 S HN 0.415 nan 8.310 nan 0.000 0.473 282 W N 2.419 123.800 121.300 0.135 0.000 2.338 282 W HA -0.128 4.532 4.660 0.001 0.000 0.304 282 W C 2.042 178.648 176.519 0.145 0.000 1.212 282 W CA 0.784 58.217 57.345 0.146 0.000 1.264 282 W CB -0.395 29.158 29.460 0.156 0.000 1.142 282 W HN 0.225 nan 8.180 nan 0.000 0.512 283 D N -0.025 120.601 120.400 0.376 0.000 2.097 283 D HA -0.198 4.442 4.640 0.001 0.000 0.195 283 D C 1.981 178.418 176.300 0.229 0.000 0.989 283 D CA 1.448 55.612 54.000 0.274 0.000 0.827 283 D CB -0.667 40.264 40.800 0.219 0.000 0.966 283 D HN 0.156 nan 8.370 nan 0.000 0.456 284 I N 0.231 120.913 120.570 0.186 0.000 2.617 284 I HA -0.147 4.024 4.170 0.001 0.000 0.256 284 I C 1.829 178.137 176.117 0.318 0.000 1.167 284 I CA 0.801 62.196 61.300 0.158 0.000 1.469 284 I CB 0.102 38.142 38.000 0.065 0.000 1.098 284 I HN -0.025 nan 8.210 nan 0.000 0.436 285 N N -0.169 118.696 118.700 0.275 0.000 2.245 285 N HA -0.134 4.607 4.740 0.001 0.000 0.185 285 N C 1.818 177.508 175.510 0.300 0.000 1.036 285 N CA 0.952 54.168 53.050 0.278 0.000 0.857 285 N CB 0.144 38.732 38.487 0.168 0.000 1.015 285 N HN 0.251 nan 8.380 nan 0.000 0.436 286 L N 0.296 121.671 121.223 0.254 0.000 2.349 286 L HA 0.436 4.776 4.340 0.001 0.000 0.200 286 L C 2.185 179.046 176.870 -0.016 0.000 1.064 286 L CA 1.315 56.213 54.840 0.096 0.000 0.821 286 L CB -0.912 41.235 42.059 0.146 0.000 1.027 286 L HN 0.169 nan 8.230 nan 0.000 0.476 287 G N -0.597 108.270 108.800 0.110 0.000 2.442 287 G HA2 -0.350 3.611 3.960 0.001 0.000 0.219 287 G HA3 -0.350 3.611 3.960 0.001 0.000 0.219 287 G C 1.358 176.359 174.900 0.168 0.000 1.141 287 G CA 0.799 45.957 45.100 0.096 0.000 0.763 287 G HN 0.570 nan 8.290 nan 0.000 0.554 288 W N 1.233 122.525 121.300 -0.013 0.000 2.304 288 W HA -0.095 4.565 4.660 0.001 0.000 0.315 288 W C 1.731 178.068 176.519 -0.302 0.000 1.233 288 W CA 1.354 58.617 57.345 -0.136 0.000 1.261 288 W CB -0.731 28.597 29.460 -0.220 0.000 1.150 288 W HN 0.238 nan 8.180 nan 0.000 0.494 289 F N -1.378 118.662 119.950 0.149 0.000 2.622 289 F HA 0.067 4.594 4.527 0.001 0.000 0.288 289 F C 1.962 177.711 175.800 -0.086 0.000 1.120 289 F CA 0.486 58.502 58.000 0.027 0.000 1.423 289 F CB -1.201 37.811 39.000 0.021 0.000 1.127 289 F HN -0.206 nan 8.300 nan 0.000 0.588 290 L N 0.514 121.561 121.223 -0.293 0.000 2.044 290 L HA -0.056 4.285 4.340 0.001 0.000 0.205 290 L C 2.148 178.874 176.870 -0.241 0.000 1.075 290 L CA 1.944 56.473 54.840 -0.519 0.000 0.747 290 L CB -0.680 40.833 42.059 -0.910 0.000 0.903 290 L HN 0.102 nan 8.230 nan 0.000 0.435 291 E N -0.625 119.506 120.200 -0.115 0.000 2.072 291 E HA -0.165 4.185 4.350 0.001 0.000 0.191 291 E C -0.564 176.055 176.600 0.033 0.000 0.985 291 E CA 1.277 57.697 56.400 0.034 0.000 0.801 291 E CB -0.675 29.117 29.700 0.153 0.000 0.750 291 E HN 0.422 nan 8.360 nan 0.000 0.452 292 P HA -0.187 nan 4.420 nan 0.000 0.215 292 P C 1.567 178.831 177.300 -0.059 0.000 1.153 292 P CA 1.659 64.690 63.100 -0.116 0.000 0.853 292 P CB -0.098 31.493 31.700 -0.182 0.000 0.788 293 V N -3.823 116.105 119.914 0.024 0.000 2.871 293 V HA -0.079 4.042 4.120 0.001 0.000 0.256 293 V C 1.905 178.157 176.094 0.263 0.000 1.082 293 V CA 1.409 63.793 62.300 0.141 0.000 1.105 293 V CB -1.291 30.621 31.823 0.148 0.000 0.713 293 V HN -0.071 nan 8.190 nan 0.000 0.473 294 V N 1.715 121.732 119.914 0.172 0.000 2.379 294 V HA 0.021 4.141 4.120 0.001 0.000 0.243 294 V C 2.704 178.918 176.094 0.200 0.000 1.035 294 V CA 2.319 64.782 62.300 0.271 0.000 1.035 294 V CB -0.420 31.529 31.823 0.211 0.000 0.673 294 V HN 0.786 nan 8.190 nan 0.000 0.457 295 R N -0.488 120.088 120.500 0.128 0.000 2.521 295 R HA 0.390 4.730 4.340 0.001 0.000 0.289 295 R C 1.297 177.619 176.300 0.038 0.000 0.936 295 R CA 0.898 57.054 56.100 0.094 0.000 1.089 295 R CB 0.895 31.265 30.300 0.115 0.000 1.348 295 R HN 0.394 nan 8.270 nan 0.000 0.536 296 G N 0.658 109.445 108.800 -0.022 0.000 2.159 296 G HA2 -0.213 3.748 3.960 0.001 0.000 0.227 296 G HA3 -0.213 3.748 3.960 0.001 0.000 0.227 296 G C -0.644 174.156 174.900 -0.166 0.000 0.986 296 G CA 0.223 45.243 45.100 -0.133 0.000 0.651 296 G HN 0.500 nan 8.290 nan 0.000 0.523 297 D N -1.643 118.721 120.400 -0.060 0.000 2.599 297 D HA 0.531 5.172 4.640 0.001 0.000 0.252 297 D C -0.099 176.224 176.300 0.038 0.000 1.232 297 D CA -0.658 53.355 54.000 0.021 0.000 0.819 297 D CB 0.652 41.547 40.800 0.157 0.000 1.401 297 D HN -0.034 nan 8.370 nan 0.000 0.429 298 Y N 0.416 120.850 120.300 0.224 0.000 2.511 298 Y HA 0.240 4.790 4.550 0.001 0.000 0.347 298 Y C -1.413 174.546 175.900 0.099 0.000 1.257 298 Y CA -1.014 57.160 58.100 0.123 0.000 1.469 298 Y CB -0.444 38.022 38.460 0.009 0.000 1.353 298 Y HN 0.117 nan 8.280 nan 0.000 0.617 299 P HA -0.072 nan 4.420 nan 0.000 0.266 299 P C 0.518 177.934 177.300 0.194 0.000 1.195 299 P CA 0.210 63.447 63.100 0.228 0.000 0.768 299 P CB 0.332 32.154 31.700 0.204 0.000 0.838 300 F N 3.065 123.068 119.950 0.089 0.000 2.087 300 F HA -0.320 4.207 4.527 0.001 0.000 0.299 300 F C 2.335 178.150 175.800 0.026 0.000 1.100 300 F CA 2.659 60.695 58.000 0.059 0.000 1.226 300 F CB -0.521 38.513 39.000 0.057 0.000 0.983 300 F HN 0.347 nan 8.300 nan 0.000 0.479 301 S N 0.264 116.119 115.700 0.259 0.000 2.370 301 S HA -0.304 4.167 4.470 0.001 0.000 0.226 301 S C 2.021 176.603 174.600 -0.031 0.000 1.033 301 S CA 1.680 59.967 58.200 0.145 0.000 1.011 301 S CB -0.824 62.471 63.200 0.159 0.000 0.852 301 S HN 0.541 nan 8.310 nan 0.000 0.457 302 M N 0.834 120.387 119.600 -0.079 0.000 2.132 302 M HA 0.016 4.497 4.480 0.001 0.000 0.263 302 M C 2.794 178.889 176.300 -0.342 0.000 1.065 302 M CA 1.206 56.367 55.300 -0.232 0.000 1.122 302 M CB -0.377 32.037 32.600 -0.309 0.000 1.365 302 M HN 0.277 nan 8.290 nan 0.000 0.411 303 R N 0.337 120.644 120.500 -0.321 0.000 2.091 303 R HA -0.129 4.211 4.340 0.001 0.000 0.238 303 R C 2.463 178.543 176.300 -0.367 0.000 1.136 303 R CA 2.054 57.925 56.100 -0.382 0.000 0.959 303 R CB -0.758 29.336 30.300 -0.343 0.000 0.856 303 R HN 0.492 nan 8.270 nan 0.000 0.437 304 S N 0.150 115.610 115.700 -0.400 0.000 2.423 304 S HA -0.046 4.425 4.470 0.001 0.000 0.231 304 S C 1.998 176.494 174.600 -0.173 0.000 1.014 304 S CA 0.773 58.795 58.200 -0.297 0.000 0.965 304 S CB -0.139 62.910 63.200 -0.253 0.000 0.785 304 S HN 0.212 nan 8.310 nan 0.000 0.495 305 L N 0.210 121.337 121.223 -0.161 0.000 2.362 305 L HA 0.418 4.758 4.340 0.001 0.000 0.204 305 L C 2.923 179.724 176.870 -0.115 0.000 1.060 305 L CA 0.768 55.559 54.840 -0.083 0.000 0.827 305 L CB -0.454 41.607 42.059 0.004 0.000 1.027 305 L HN 0.387 nan 8.230 nan 0.000 0.474 306 A N -0.923 121.746 122.820 -0.251 0.000 2.021 306 A HA 0.024 4.345 4.320 0.001 0.000 0.216 306 A C 1.279 178.663 177.584 -0.334 0.000 1.163 306 A CA 0.146 51.971 52.037 -0.354 0.000 0.676 306 A CB -0.005 18.550 19.000 -0.741 0.000 0.818 306 A HN 0.308 nan 8.150 nan 0.000 0.453 307 R N -0.592 119.718 120.500 -0.317 0.000 3.934 307 R HA -0.238 4.103 4.340 0.001 0.000 0.384 307 R C 1.452 177.599 176.300 -0.256 0.000 0.241 307 R CA 1.839 57.800 56.100 -0.231 0.000 1.241 307 R CB -1.585 28.636 30.300 -0.132 0.000 0.999 307 R HN 0.728 nan 8.270 nan 0.000 0.562 308 E N 2.917 123.027 120.200 -0.150 0.000 2.268 308 E HA -0.134 4.217 4.350 0.001 0.000 0.195 308 E C 1.600 178.085 176.600 -0.191 0.000 0.995 308 E CA 1.483 57.817 56.400 -0.111 0.000 0.836 308 E CB -0.245 29.428 29.700 -0.045 0.000 0.763 308 E HN 0.521 nan 8.360 nan 0.000 0.491 309 R N 0.088 120.440 120.500 -0.246 0.000 2.280 309 R HA 0.109 4.449 4.340 0.001 0.000 0.207 309 R C 0.341 176.380 176.300 -0.435 0.000 1.043 309 R CA 0.047 56.001 56.100 -0.244 0.000 1.006 309 R CB -0.089 30.114 30.300 -0.162 0.000 0.885 309 R HN 0.073 nan 8.270 nan 0.000 0.467 310 L N 2.169 123.005 121.223 -0.647 0.000 2.262 310 L HA 0.381 4.722 4.340 0.001 0.000 0.288 310 L C -2.518 173.921 176.870 -0.718 0.000 1.035 310 L CA -2.710 51.625 54.840 -0.842 0.000 0.820 310 L CB 1.149 42.559 42.059 -1.083 0.000 1.204 310 L HN -0.210 nan 8.230 nan 0.000 0.424 311 P HA 0.150 nan 4.420 nan 0.000 0.269 311 P C -1.087 175.770 177.300 -0.738 0.000 1.215 311 P CA 0.171 62.836 63.100 -0.726 0.000 0.780 311 P CB 0.305 31.279 31.700 -1.210 0.000 0.898 312 F N 0.812 120.563 119.950 -0.332 0.000 2.379 312 F HA 0.385 4.913 4.527 0.001 0.000 0.332 312 F C 0.693 176.413 175.800 -0.132 0.000 1.096 312 F CA -0.091 57.812 58.000 -0.162 0.000 1.105 312 F CB 0.421 39.386 39.000 -0.057 0.000 1.189 312 F HN 0.175 nan 8.300 nan 0.000 0.515 313 F N 2.051 122.208 119.950 0.345 0.000 2.384 313 F HA 0.314 4.842 4.527 0.001 0.000 0.338 313 F C 0.594 176.492 175.800 0.164 0.000 1.103 313 F CA -0.845 57.288 58.000 0.222 0.000 1.157 313 F CB 0.745 39.802 39.000 0.094 0.000 1.167 313 F HN 0.294 nan 8.300 nan 0.000 0.529 314 K N 1.832 122.425 120.400 0.322 0.000 2.380 314 K HA -0.033 4.287 4.320 0.001 0.000 0.267 314 K C 0.301 177.003 176.600 0.169 0.000 0.990 314 K CA -0.276 56.129 56.287 0.198 0.000 0.946 314 K CB 0.471 33.062 32.500 0.153 0.000 0.937 314 K HN 0.567 nan 8.250 nan 0.000 0.491 315 D N 2.295 122.763 120.400 0.113 0.000 2.144 315 D HA -0.157 4.484 4.640 0.001 0.000 0.199 315 D C 1.407 177.740 176.300 0.055 0.000 0.984 315 D CA 1.487 55.536 54.000 0.081 0.000 0.834 315 D CB 0.123 40.958 40.800 0.059 0.000 0.955 315 D HN 0.563 nan 8.370 nan 0.000 0.465 316 E N 0.722 120.955 120.200 0.056 0.000 2.077 316 E HA -0.195 4.156 4.350 0.001 0.000 0.193 316 E C 2.059 178.673 176.600 0.024 0.000 0.989 316 E CA 0.764 57.187 56.400 0.039 0.000 0.800 316 E CB -0.312 29.415 29.700 0.045 0.000 0.746 316 E HN 0.385 nan 8.360 nan 0.000 0.452 317 Q N 1.024 120.849 119.800 0.042 0.000 2.119 317 Q HA -0.094 4.246 4.340 0.001 0.000 0.201 317 Q C 2.058 177.973 176.000 -0.142 0.000 0.972 317 Q CA 1.020 56.818 55.803 -0.007 0.000 0.847 317 Q CB -0.044 28.752 28.738 0.097 0.000 0.903 317 Q HN 0.204 nan 8.270 nan 0.000 0.433 318 K N 0.514 120.849 120.400 -0.109 0.000 2.057 318 K HA -0.143 4.178 4.320 0.001 0.000 0.207 318 K C 1.952 178.492 176.600 -0.100 0.000 1.049 318 K CA 0.900 57.089 56.287 -0.165 0.000 0.931 318 K CB 0.050 32.527 32.500 -0.039 0.000 0.714 318 K HN 0.177 nan 8.250 nan 0.000 0.440 319 E N 1.139 121.312 120.200 -0.044 0.000 2.077 319 E HA -0.154 4.197 4.350 0.001 0.000 0.193 319 E C 1.856 178.438 176.600 -0.029 0.000 0.989 319 E CA 1.174 57.560 56.400 -0.023 0.000 0.800 319 E CB 0.015 29.711 29.700 -0.006 0.000 0.746 319 E HN 0.274 nan 8.360 nan 0.000 0.452 320 K N 0.331 120.709 120.400 -0.037 0.000 2.148 320 K HA -0.022 4.298 4.320 0.001 0.000 0.204 320 K C 2.347 178.928 176.600 -0.030 0.000 1.050 320 K CA 0.475 56.745 56.287 -0.029 0.000 0.942 320 K CB -0.027 32.461 32.500 -0.020 0.000 0.724 320 K HN 0.094 nan 8.250 nan 0.000 0.446 321 L N 0.867 122.043 121.223 -0.079 0.000 2.095 321 L HA -0.010 4.331 4.340 0.001 0.000 0.204 321 L C 0.942 177.824 176.870 0.019 0.000 1.080 321 L CA -0.009 54.791 54.840 -0.067 0.000 0.759 321 L CB -0.190 41.696 42.059 -0.288 0.000 0.914 321 L HN 0.018 nan 8.230 nan 0.000 0.439 322 A N 0.174 122.990 122.820 -0.006 0.000 2.484 322 A HA 0.392 4.713 4.320 0.001 0.000 0.268 322 A C 1.208 178.827 177.584 0.058 0.000 1.114 322 A CA 0.536 52.600 52.037 0.045 0.000 0.780 322 A CB -0.541 18.471 19.000 0.021 0.000 1.061 322 A HN 0.601 nan 8.150 nan 0.000 0.505 323 G N 2.002 110.870 108.800 0.113 0.000 2.137 323 G HA2 -0.193 3.768 3.960 0.001 0.000 0.237 323 G HA3 -0.193 3.768 3.960 0.001 0.000 0.237 323 G C 0.533 175.368 174.900 -0.108 0.000 1.002 323 G CA 0.619 45.680 45.100 -0.065 0.000 0.702 323 G HN 2.095 nan 8.290 nan 0.000 0.515 324 S N -0.201 115.604 115.700 0.175 0.000 3.324 324 S HA 0.613 5.083 4.470 0.001 0.000 0.229 324 S C 0.004 174.855 174.600 0.418 0.000 1.417 324 S CA 0.194 58.529 58.200 0.225 0.000 1.211 324 S CB -0.700 62.649 63.200 0.249 0.000 1.157 324 S HN 1.811 nan 8.310 nan 0.000 0.491 325 Y N -2.628 117.765 120.300 0.155 0.000 2.573 325 Y HA 0.526 5.076 4.550 0.001 0.000 0.328 325 Y C -0.407 175.562 175.900 0.116 0.000 1.170 325 Y CA -1.332 56.859 58.100 0.151 0.000 1.078 325 Y CB 0.046 38.607 38.460 0.168 0.000 1.341 325 Y HN 0.010 nan 8.280 nan 0.000 0.459 326 N N 2.109 120.905 118.700 0.160 0.000 2.294 326 N HA 0.265 5.006 4.740 0.001 0.000 0.186 326 N C -0.439 175.218 175.510 0.245 0.000 1.107 326 N CA 0.577 53.696 53.050 0.116 0.000 0.884 326 N CB 0.661 39.209 38.487 0.101 0.000 1.030 326 N HN 0.721 nan 8.380 nan 0.000 0.482 327 M N -1.306 118.499 119.600 0.342 0.000 2.773 327 M HA 0.531 5.011 4.480 0.001 0.000 0.270 327 M C -2.202 174.277 176.300 0.298 0.000 1.238 327 M CA -0.996 54.508 55.300 0.340 0.000 0.832 327 M CB 1.947 34.750 32.600 0.338 0.000 1.672 327 M HN -0.312 nan 8.290 nan 0.000 0.480 328 L N 1.013 122.379 121.223 0.238 0.000 2.431 328 L HA 0.875 5.216 4.340 0.001 0.000 0.266 328 L C -0.235 176.722 176.870 0.145 0.000 0.978 328 L CA 0.015 54.928 54.840 0.123 0.000 0.822 328 L CB 2.292 44.412 42.059 0.101 0.000 1.310 328 L HN 0.963 nan 8.230 nan 0.000 0.409 329 G N 2.998 111.816 108.800 0.030 0.000 2.367 329 G HA2 0.604 4.565 3.960 0.001 0.000 0.314 329 G HA3 0.604 4.565 3.960 0.001 0.000 0.314 329 G C -1.478 173.481 174.900 0.098 0.000 1.130 329 G CA -0.287 44.843 45.100 0.050 0.000 0.864 329 G HN 0.293 nan 8.290 nan 0.000 0.486 330 L N 2.173 123.492 121.223 0.159 0.000 2.349 330 L HA 0.401 4.742 4.340 0.001 0.000 0.278 330 L C -0.716 176.273 176.870 0.197 0.000 0.996 330 L CA -1.405 53.571 54.840 0.227 0.000 0.825 330 L CB 1.595 43.806 42.059 0.253 0.000 1.243 330 L HN 0.383 nan 8.230 nan 0.000 0.412 331 N N 3.722 122.548 118.700 0.209 0.000 2.558 331 N HA 0.177 4.918 4.740 0.001 0.000 0.233 331 N C -1.167 174.530 175.510 0.312 0.000 1.038 331 N CA -0.154 53.017 53.050 0.202 0.000 0.934 331 N CB 0.565 39.168 38.487 0.193 0.000 1.175 331 N HN 0.421 nan 8.380 nan 0.000 0.512 332 Y N 1.747 122.091 120.300 0.073 0.000 2.335 332 Y HA 0.318 4.869 4.550 0.001 0.000 0.338 332 Y C -0.418 175.457 175.900 -0.041 0.000 0.977 332 Y CA -0.473 57.718 58.100 0.153 0.000 1.114 332 Y CB 0.776 39.337 38.460 0.169 0.000 1.182 332 Y HN 0.408 nan 8.280 nan 0.000 0.463 333 Y N 1.869 121.878 120.300 -0.485 0.000 2.550 333 Y HA 0.287 4.837 4.550 0.001 0.000 0.275 333 Y C 0.845 176.579 175.900 -0.277 0.000 1.148 333 Y CA 0.465 58.448 58.100 -0.195 0.000 1.200 333 Y CB 1.153 39.624 38.460 0.020 0.000 1.299 333 Y HN 0.603 nan 8.280 nan 0.000 0.509 334 T N -1.470 112.867 114.554 -0.362 0.000 2.661 334 T HA 0.650 5.000 4.350 0.001 0.000 0.305 334 T C -1.356 173.382 174.700 0.063 0.000 1.441 334 T CA -0.428 61.687 62.100 0.025 0.000 0.999 334 T CB 1.149 70.150 68.868 0.222 0.000 1.650 334 T HN -0.093 nan 8.240 nan 0.000 0.489 335 S N 0.027 115.834 115.700 0.178 0.000 2.661 335 S HA 0.895 5.365 4.470 0.001 0.000 0.285 335 S C -1.481 173.049 174.600 -0.117 0.000 1.138 335 S CA -0.929 57.316 58.200 0.074 0.000 0.855 335 S CB 1.666 64.951 63.200 0.141 0.000 1.136 335 S HN 0.626 nan 8.310 nan 0.000 0.484 336 R N 0.204 120.571 120.500 -0.221 0.000 2.740 336 R HA 0.467 4.808 4.340 0.001 0.000 0.273 336 R C -1.652 174.446 176.300 -0.336 0.000 0.998 336 R CA -0.631 55.317 56.100 -0.253 0.000 0.900 336 R CB 0.784 31.032 30.300 -0.085 0.000 1.223 336 R HN 0.587 nan 8.270 nan 0.000 0.466 337 F N 0.587 120.515 119.950 -0.037 0.000 2.427 337 F HA 0.216 4.744 4.527 0.002 0.000 0.352 337 F C 0.846 176.674 175.800 0.047 0.000 1.100 337 F CA 0.179 58.199 58.000 0.035 0.000 1.191 337 F CB 1.088 40.173 39.000 0.142 0.000 1.128 337 F HN 0.123 nan 8.300 nan 0.000 0.533 338 S N 3.766 119.596 115.700 0.217 0.000 2.429 338 S HA 0.321 4.792 4.470 0.001 0.000 0.302 338 S C -0.383 174.294 174.600 0.127 0.000 1.115 338 S CA -0.898 57.368 58.200 0.110 0.000 1.095 338 S CB 1.021 64.251 63.200 0.050 0.000 0.987 338 S HN 0.488 nan 8.310 nan 0.000 0.474 339 K N 2.855 123.263 120.400 0.012 0.000 2.323 339 K HA 0.274 4.595 4.320 0.001 0.000 0.259 339 K C -0.319 176.223 176.600 -0.095 0.000 0.947 339 K CA -0.705 55.528 56.287 -0.089 0.000 0.819 339 K CB 0.741 32.999 32.500 -0.404 0.000 1.109 339 K HN 0.578 nan 8.250 nan 0.000 0.429 340 N N 3.347 122.007 118.700 -0.068 0.000 2.353 340 N HA -0.021 4.720 4.740 0.001 0.000 0.248 340 N C -1.031 174.413 175.510 -0.110 0.000 1.240 340 N CA 0.586 53.595 53.050 -0.067 0.000 0.862 340 N CB 0.285 38.729 38.487 -0.071 0.000 1.086 340 N HN 0.426 nan 8.380 nan 0.000 0.453 341 I N 1.922 122.434 120.570 -0.098 0.000 2.447 341 I HA 0.223 4.393 4.170 0.001 0.000 0.287 341 I C -0.506 175.589 176.117 -0.035 0.000 1.023 341 I CA -0.976 60.230 61.300 -0.156 0.000 1.083 341 I CB 1.655 39.412 38.000 -0.405 0.000 1.245 341 I HN 0.439 nan 8.210 nan 0.000 0.434 342 D N 6.037 126.405 120.400 -0.053 0.000 2.362 342 D HA 0.304 4.944 4.640 0.001 0.000 0.242 342 D C 0.186 176.489 176.300 0.005 0.000 1.132 342 D CA 0.046 54.023 54.000 -0.037 0.000 0.907 342 D CB 1.616 42.395 40.800 -0.035 0.000 1.195 342 D HN 0.306 nan 8.370 nan 0.000 0.429 343 I N 1.547 122.039 120.570 -0.130 0.000 2.517 343 I HA -0.003 4.167 4.170 0.001 0.000 0.285 343 I C 0.823 176.952 176.117 0.020 0.000 1.106 343 I CA 0.657 61.885 61.300 -0.120 0.000 1.402 343 I CB 0.192 38.012 38.000 -0.301 0.000 1.399 343 I HN 0.283 nan 8.210 nan 0.000 0.535 344 S N 6.413 122.187 115.700 0.123 0.000 2.588 344 S HA 0.489 4.959 4.470 0.001 0.000 0.269 344 S C -2.360 172.310 174.600 0.115 0.000 1.157 344 S CA -1.014 57.242 58.200 0.092 0.000 0.824 344 S CB 1.842 65.087 63.200 0.076 0.000 1.126 344 S HN 0.312 nan 8.310 nan 0.000 0.464 345 P HA 0.074 nan 4.420 nan 0.000 0.226 345 P C 0.398 177.733 177.300 0.059 0.000 1.153 345 P CA 0.837 63.971 63.100 0.056 0.000 0.777 345 P CB -0.267 31.452 31.700 0.032 0.000 0.794 346 N N -1.767 116.981 118.700 0.080 0.000 2.398 346 N HA -0.030 4.711 4.740 0.001 0.000 0.188 346 N C -0.137 175.450 175.510 0.127 0.000 1.122 346 N CA 0.261 53.357 53.050 0.077 0.000 0.866 346 N CB -0.185 38.343 38.487 0.068 0.000 0.970 346 N HN 0.289 nan 8.380 nan 0.000 0.462 347 Y N 0.104 120.422 120.300 0.029 0.000 2.376 347 Y HA 0.493 5.043 4.550 0.001 0.000 0.340 347 Y C -0.801 175.114 175.900 0.025 0.000 0.965 347 Y CA -0.919 57.193 58.100 0.020 0.000 1.078 347 Y CB 1.706 40.198 38.460 0.053 0.000 1.193 347 Y HN -0.299 nan 8.280 nan 0.000 0.452 348 S N 7.381 122.724 115.700 -0.596 0.000 2.677 348 S HA 0.515 4.986 4.470 0.001 0.000 0.283 348 S C -2.879 171.348 174.600 -0.622 0.000 1.159 348 S CA -1.441 56.524 58.200 -0.392 0.000 1.001 348 S CB 1.029 64.104 63.200 -0.207 0.000 1.032 348 S HN 0.503 nan 8.310 nan 0.000 0.487 349 P HA 0.097 nan 4.420 nan 0.000 0.264 349 P C 0.179 177.334 177.300 -0.242 0.000 1.183 349 P CA -0.124 62.786 63.100 -0.318 0.000 0.763 349 P CB 0.674 32.286 31.700 -0.146 0.000 0.807 350 V N 2.681 122.462 119.914 -0.221 0.000 2.911 350 V HA 0.105 4.226 4.120 0.001 0.000 0.237 350 V C 0.920 176.936 176.094 -0.130 0.000 1.156 350 V CA 0.699 62.900 62.300 -0.165 0.000 1.180 350 V CB -0.266 31.455 31.823 -0.169 0.000 0.932 350 V HN 0.338 nan 8.190 nan 0.000 0.483 351 L N 1.868 123.013 121.223 -0.130 0.000 2.360 351 L HA 0.384 4.724 4.340 0.001 0.000 0.271 351 L C 1.626 178.427 176.870 -0.115 0.000 1.057 351 L CA -0.389 54.379 54.840 -0.119 0.000 0.803 351 L CB 0.915 42.904 42.059 -0.117 0.000 1.207 351 L HN 0.316 nan 8.230 nan 0.000 0.445 352 N N 0.383 118.995 118.700 -0.147 0.000 2.137 352 N HA -0.246 4.494 4.740 0.001 0.000 0.190 352 N C 1.287 176.703 175.510 -0.158 0.000 1.017 352 N CA 2.176 55.097 53.050 -0.216 0.000 0.859 352 N CB -0.843 37.326 38.487 -0.529 0.000 1.002 352 N HN 0.859 nan 8.380 nan 0.000 0.428 353 T N -1.981 112.506 114.554 -0.110 0.000 2.962 353 T HA -0.069 4.281 4.350 0.001 0.000 0.270 353 T C 1.112 175.782 174.700 -0.051 0.000 1.088 353 T CA 1.139 63.207 62.100 -0.053 0.000 1.127 353 T CB -0.206 68.659 68.868 -0.005 0.000 0.883 353 T HN 0.034 nan 8.240 nan 0.000 0.493 354 D N 1.807 122.165 120.400 -0.069 0.000 2.310 354 D HA -0.055 4.585 4.640 0.001 0.000 0.212 354 D C 1.490 177.715 176.300 -0.125 0.000 0.965 354 D CA 0.611 54.564 54.000 -0.077 0.000 0.879 354 D CB -0.373 40.373 40.800 -0.090 0.000 0.921 354 D HN 0.424 nan 8.370 nan 0.000 0.510 355 D N 0.340 120.703 120.400 -0.061 0.000 2.351 355 D HA -0.069 4.571 4.640 0.001 0.000 0.216 355 D C 1.738 178.097 176.300 0.099 0.000 0.968 355 D CA 0.362 54.371 54.000 0.016 0.000 0.899 355 D CB 0.062 40.872 40.800 0.016 0.000 0.907 355 D HN 0.172 nan 8.370 nan 0.000 0.514 356 A N -0.305 122.538 122.820 0.039 0.000 2.169 356 A HA -0.082 4.238 4.320 0.001 0.000 0.212 356 A C 0.185 177.866 177.584 0.162 0.000 1.153 356 A CA -0.056 52.035 52.037 0.090 0.000 0.756 356 A CB -0.540 18.488 19.000 0.045 0.000 0.813 356 A HN 0.241 nan 8.150 nan 0.000 0.471 357 Y N -2.138 118.148 120.300 -0.023 0.000 3.078 357 Y HA -0.136 4.415 4.550 0.001 0.000 0.202 357 Y C 0.436 176.262 175.900 -0.123 0.000 1.322 357 Y CA 0.554 58.588 58.100 -0.111 0.000 1.118 357 Y CB -1.787 36.617 38.460 -0.093 0.000 1.343 357 Y HN 0.736 nan 8.280 nan 0.000 0.499 358 A N 0.395 123.178 122.820 -0.062 0.000 2.491 358 A HA 0.676 4.997 4.320 0.001 0.000 0.293 358 A C -0.067 177.471 177.584 -0.076 0.000 1.047 358 A CA -0.196 51.809 52.037 -0.054 0.000 0.735 358 A CB 0.721 19.722 19.000 0.001 0.000 1.281 358 A HN 0.710 nan 8.150 nan 0.000 0.398 359 S N 2.424 118.064 115.700 -0.099 0.000 2.565 359 S HA 0.568 5.039 4.470 0.001 0.000 0.274 359 S C -0.496 174.076 174.600 -0.047 0.000 1.309 359 S CA -0.491 57.660 58.200 -0.081 0.000 1.043 359 S CB 0.895 64.027 63.200 -0.113 0.000 0.939 359 S HN 0.592 nan 8.310 nan 0.000 0.504 360 Q N 2.218 122.006 119.800 -0.021 0.000 2.372 360 Q HA 0.423 4.764 4.340 0.001 0.000 0.259 360 Q C -0.689 175.328 176.000 0.029 0.000 0.993 360 Q CA -0.288 55.519 55.803 0.007 0.000 0.854 360 Q CB 1.272 30.011 28.738 0.002 0.000 1.231 360 Q HN 0.704 nan 8.270 nan 0.000 0.462 361 E N 1.989 122.240 120.200 0.084 0.000 2.183 361 E HA 0.195 4.546 4.350 0.001 0.000 0.271 361 E C 0.724 177.405 176.600 0.135 0.000 0.919 361 E CA -0.592 55.882 56.400 0.123 0.000 0.781 361 E CB 2.491 32.317 29.700 0.210 0.000 1.140 361 E HN 0.156 nan 8.360 nan 0.000 0.402 362 V N 2.001 121.929 119.914 0.023 0.000 2.358 362 V HA -0.159 3.962 4.120 0.001 0.000 0.246 362 V C 0.541 176.657 176.094 0.038 0.000 1.047 362 V CA 1.251 63.468 62.300 -0.138 0.000 1.035 362 V CB -0.222 31.363 31.823 -0.397 0.000 0.658 362 V HN 0.492 nan 8.190 nan 0.000 0.452 363 N N 0.690 119.459 118.700 0.115 0.000 2.438 363 N HA 0.406 5.147 4.740 0.001 0.000 0.282 363 N C 0.274 175.853 175.510 0.115 0.000 1.037 363 N CA 0.310 53.437 53.050 0.129 0.000 0.942 363 N CB 1.586 40.109 38.487 0.060 0.000 1.136 363 N HN 0.281 nan 8.380 nan 0.000 0.481 364 G N 1.418 110.085 108.800 -0.221 0.000 2.588 364 G HA2 0.156 4.117 3.960 0.001 0.000 0.278 364 G HA3 0.156 4.117 3.960 0.001 0.000 0.278 364 G C -1.291 173.230 174.900 -0.631 0.000 1.307 364 G CA -0.768 43.740 45.100 -0.986 0.000 1.016 364 G HN 0.334 nan 8.290 nan 0.000 0.503 365 P HA -0.058 nan 4.420 nan 0.000 0.222 365 P C 0.828 177.985 177.300 -0.240 0.000 1.147 365 P CA 1.328 64.120 63.100 -0.514 0.000 0.790 365 P CB 0.057 31.403 31.700 -0.590 0.000 0.780 366 D N -1.083 119.173 120.400 -0.240 0.000 2.363 366 D HA 0.025 4.665 4.640 0.001 0.000 0.220 366 D C 1.561 177.819 176.300 -0.070 0.000 0.994 366 D CA 0.894 54.820 54.000 -0.124 0.000 0.890 366 D CB -1.061 39.678 40.800 -0.103 0.000 0.906 366 D HN 0.257 nan 8.370 nan 0.000 0.530 367 G N -0.066 108.692 108.800 -0.071 0.000 2.176 367 G HA2 -0.307 3.654 3.960 0.001 0.000 0.253 367 G HA3 -0.307 3.654 3.960 0.001 0.000 0.253 367 G C 0.129 175.032 174.900 0.004 0.000 0.979 367 G CA 0.227 45.317 45.100 -0.017 0.000 0.641 367 G HN 0.481 nan 8.290 nan 0.000 0.530 368 K N 1.684 122.082 120.400 -0.002 0.000 2.144 368 K HA 0.473 4.794 4.320 0.001 0.000 0.270 368 K C -2.198 174.447 176.600 0.076 0.000 1.005 368 K CA -1.761 54.551 56.287 0.042 0.000 0.932 368 K CB 1.531 34.060 32.500 0.048 0.000 1.021 368 K HN 0.087 nan 8.250 nan 0.000 0.462 369 P HA -0.013 nan 4.420 nan 0.000 0.272 369 P C 0.595 177.971 177.300 0.126 0.000 1.223 369 P CA 0.015 63.150 63.100 0.059 0.000 0.784 369 P CB 0.665 32.418 31.700 0.087 0.000 0.923 370 I N 0.187 120.790 120.570 0.056 0.000 2.335 370 I HA -0.092 4.079 4.170 0.001 0.000 0.251 370 I C 0.896 177.041 176.117 0.047 0.000 1.129 370 I CA 1.661 62.913 61.300 -0.080 0.000 1.402 370 I CB -0.294 37.324 38.000 -0.637 0.000 1.069 370 I HN 0.545 nan 8.210 nan 0.000 0.424 371 G N -0.833 108.077 108.800 0.184 0.000 2.649 371 G HA2 0.445 4.405 3.960 0.001 0.000 0.290 371 G HA3 0.445 4.405 3.960 0.001 0.000 0.290 371 G C -3.059 172.038 174.900 0.329 0.000 1.426 371 G CA -0.862 44.415 45.100 0.295 0.000 0.794 371 G HN -0.220 nan 8.290 nan 0.000 0.483 372 P HA 0.220 nan 4.420 nan 0.000 0.265 372 P C -2.403 175.007 177.300 0.183 0.000 1.193 372 P CA -0.841 62.387 63.100 0.214 0.000 0.765 372 P CB 0.283 32.072 31.700 0.147 0.000 0.823 373 P HA 0.123 nan 4.420 nan 0.000 0.271 373 P C 0.307 177.486 177.300 -0.203 0.000 1.216 373 P CA 0.198 63.134 63.100 -0.274 0.000 0.771 373 P CB 0.511 32.101 31.700 -0.184 0.000 0.864 374 M N 1.499 120.913 119.600 -0.309 0.000 2.495 374 M HA 0.164 4.645 4.480 0.001 0.000 0.237 374 M C 1.364 177.515 176.300 -0.248 0.000 1.131 374 M CA 0.662 55.823 55.300 -0.232 0.000 1.032 374 M CB -0.714 31.716 32.600 -0.284 0.000 1.513 374 M HN 0.744 nan 8.290 nan 0.000 0.488 375 G N 0.804 109.451 108.800 -0.255 0.000 2.699 375 G HA2 -0.224 3.737 3.960 0.001 0.000 0.198 375 G HA3 -0.224 3.737 3.960 0.001 0.000 0.198 375 G C 0.225 175.030 174.900 -0.158 0.000 1.033 375 G CA 0.071 45.066 45.100 -0.176 0.000 0.728 375 G HN 0.521 nan 8.290 nan 0.000 0.484 376 N N 1.714 120.285 118.700 -0.216 0.000 2.448 376 N HA 0.591 5.331 4.740 0.001 0.000 0.274 376 N C -1.494 173.987 175.510 -0.049 0.000 1.239 376 N CA -1.117 51.864 53.050 -0.116 0.000 0.982 376 N CB 0.204 38.610 38.487 -0.134 0.000 1.199 376 N HN 0.052 nan 8.380 nan 0.000 0.576 377 P HA 0.011 nan 4.420 nan 0.000 0.226 377 P C 0.315 177.837 177.300 0.371 0.000 1.153 377 P CA 1.040 64.289 63.100 0.248 0.000 0.777 377 P CB -0.087 31.805 31.700 0.322 0.000 0.794 378 W N -2.577 118.790 121.300 0.111 0.000 2.520 378 W HA 0.358 5.019 4.660 0.001 0.000 0.272 378 W C -0.404 176.231 176.519 0.193 0.000 0.984 378 W CA -0.184 57.285 57.345 0.206 0.000 1.314 378 W CB -0.147 29.422 29.460 0.181 0.000 0.945 378 W HN -0.285 nan 8.180 nan 0.000 0.596 379 I N 2.670 122.883 120.570 -0.596 0.000 2.312 379 I HA 0.232 4.402 4.170 0.001 0.000 0.291 379 I C -1.202 174.669 176.117 -0.410 0.000 1.031 379 I CA -0.501 60.473 61.300 -0.543 0.000 1.293 379 I CB 0.319 37.867 38.000 -0.753 0.000 1.403 379 I HN -0.280 nan 8.210 nan 0.000 0.484 380 Y N 5.693 126.016 120.300 0.038 0.000 2.350 380 Y HA 0.369 4.920 4.550 0.001 0.000 0.338 380 Y C 0.289 176.333 175.900 0.241 0.000 0.961 380 Y CA -0.878 57.294 58.100 0.120 0.000 1.100 380 Y CB 1.890 40.410 38.460 0.100 0.000 1.179 380 Y HN 0.503 nan 8.280 nan 0.000 0.454 381 M N 4.920 124.754 119.600 0.389 0.000 2.292 381 M HA 0.129 4.609 4.480 0.001 0.000 0.342 381 M C -1.695 174.849 176.300 0.407 0.000 1.538 381 M CA 0.283 55.846 55.300 0.438 0.000 1.163 381 M CB -0.029 32.793 32.600 0.370 0.000 1.823 381 M HN 0.768 nan 8.290 nan 0.000 0.462 382 Y N 8.306 128.757 120.300 0.252 0.000 2.520 382 Y HA 0.385 4.936 4.550 0.001 0.000 0.339 382 Y C -2.292 173.736 175.900 0.213 0.000 1.113 382 Y CA -1.964 56.251 58.100 0.192 0.000 1.255 382 Y CB 0.674 39.252 38.460 0.197 0.000 1.099 382 Y HN 0.569 nan 8.280 nan 0.000 0.628 383 P HA -0.168 nan 4.420 nan 0.000 0.219 383 P C 0.870 177.991 177.300 -0.299 0.000 1.146 383 P CA 1.461 64.340 63.100 -0.368 0.000 0.808 383 P CB 0.505 31.843 31.700 -0.602 0.000 0.779 384 E N -0.253 119.623 120.200 -0.540 0.000 2.160 384 E HA -0.117 4.233 4.350 0.001 0.000 0.195 384 E C 2.323 178.789 176.600 -0.222 0.000 0.991 384 E CA 1.211 57.328 56.400 -0.472 0.000 0.810 384 E CB -0.804 28.477 29.700 -0.698 0.000 0.742 384 E HN 0.292 nan 8.360 nan 0.000 0.466 385 G N 1.230 109.983 108.800 -0.079 0.000 2.422 385 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 385 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 385 G C 1.498 176.387 174.900 -0.020 0.000 1.146 385 G CA 0.216 45.507 45.100 0.318 0.000 0.769 385 G HN 0.163 nan 8.290 nan 0.000 0.547 386 L N 0.086 121.035 121.223 -0.456 0.000 2.017 386 L HA -0.065 4.275 4.340 0.001 0.000 0.208 386 L C 2.861 179.636 176.870 -0.159 0.000 1.073 386 L CA 2.029 56.518 54.840 -0.584 0.000 0.745 386 L CB -0.339 41.467 42.059 -0.422 0.000 0.894 386 L HN 0.280 nan 8.230 nan 0.000 0.432 387 K N -0.218 120.129 120.400 -0.088 0.000 2.032 387 K HA -0.235 4.085 4.320 0.001 0.000 0.209 387 K C 1.651 178.258 176.600 0.012 0.000 1.048 387 K CA 1.996 58.269 56.287 -0.024 0.000 0.927 387 K CB -0.045 32.436 32.500 -0.033 0.000 0.712 387 K HN 0.323 nan 8.250 nan 0.000 0.441 388 D N 0.928 121.363 120.400 0.058 0.000 2.116 388 D HA -0.201 4.440 4.640 0.001 0.000 0.193 388 D C 1.860 178.176 176.300 0.027 0.000 0.998 388 D CA 1.006 55.069 54.000 0.105 0.000 0.836 388 D CB -0.277 40.695 40.800 0.287 0.000 0.951 388 D HN 0.183 nan 8.370 nan 0.000 0.449 389 L N 0.504 121.783 121.223 0.092 0.000 2.056 389 L HA -0.080 4.260 4.340 0.001 0.000 0.207 389 L C 2.110 178.982 176.870 0.004 0.000 1.078 389 L CA 1.399 56.263 54.840 0.039 0.000 0.749 389 L CB -0.569 41.634 42.059 0.239 0.000 0.901 389 L HN 0.013 nan 8.230 nan 0.000 0.433 390 L N -1.256 119.982 121.223 0.025 0.000 2.141 390 L HA -0.177 4.163 4.340 0.001 0.000 0.209 390 L C 2.432 179.316 176.870 0.022 0.000 1.094 390 L CA 0.737 55.601 54.840 0.040 0.000 0.763 390 L CB -0.533 41.557 42.059 0.053 0.000 0.908 390 L HN 0.330 nan 8.230 nan 0.000 0.437 391 M N -0.657 118.941 119.600 -0.003 0.000 2.200 391 M HA -0.114 4.366 4.480 0.001 0.000 0.265 391 M C 2.327 178.599 176.300 -0.047 0.000 1.066 391 M CA 1.641 56.931 55.300 -0.016 0.000 1.127 391 M CB -0.687 31.903 32.600 -0.017 0.000 1.379 391 M HN 0.206 nan 8.290 nan 0.000 0.420 392 I N -0.108 120.401 120.570 -0.101 0.000 2.286 392 I HA -0.298 3.872 4.170 0.001 0.000 0.248 392 I C 2.362 178.487 176.117 0.013 0.000 1.115 392 I CA 0.914 62.131 61.300 -0.138 0.000 1.392 392 I CB -0.256 37.540 38.000 -0.339 0.000 1.065 392 I HN 0.207 nan 8.210 nan 0.000 0.418 393 M N 0.236 119.876 119.600 0.065 0.000 2.175 393 M HA -0.183 4.297 4.480 0.001 0.000 0.264 393 M C 2.251 178.620 176.300 0.115 0.000 1.063 393 M CA 1.578 56.967 55.300 0.148 0.000 1.119 393 M CB -1.149 31.517 32.600 0.109 0.000 1.377 393 M HN 0.198 nan 8.290 nan 0.000 0.415 394 K N 0.221 120.657 120.400 0.060 0.000 2.001 394 K HA -0.146 4.175 4.320 0.001 0.000 0.208 394 K C 1.554 178.167 176.600 0.022 0.000 1.048 394 K CA 1.331 57.646 56.287 0.046 0.000 0.932 394 K CB 0.092 32.610 32.500 0.030 0.000 0.715 394 K HN 0.263 nan 8.250 nan 0.000 0.437 395 N N 0.402 119.093 118.700 -0.015 0.000 2.409 395 N HA -0.062 4.678 4.740 0.001 0.000 0.174 395 N C 1.464 176.917 175.510 -0.095 0.000 1.037 395 N CA 0.802 53.825 53.050 -0.045 0.000 0.898 395 N CB 0.316 38.771 38.487 -0.053 0.000 1.010 395 N HN 0.248 nan 8.380 nan 0.000 0.445 396 K N -0.679 119.623 120.400 -0.163 0.000 2.287 396 K HA 0.092 4.412 4.320 0.001 0.000 0.199 396 K C 0.241 176.600 176.600 -0.401 0.000 1.061 396 K CA 0.414 56.482 56.287 -0.365 0.000 0.976 396 K CB 0.278 32.408 32.500 -0.616 0.000 0.898 396 K HN -0.023 nan 8.250 nan 0.000 0.492 397 Y N -0.315 119.985 120.300 -0.000 0.000 2.636 397 Y HA 0.311 4.862 4.550 0.001 0.000 0.260 397 Y C 0.755 176.697 175.900 0.071 0.000 1.177 397 Y CA -0.005 58.111 58.100 0.027 0.000 1.209 397 Y CB 1.439 39.899 38.460 0.001 0.000 1.166 397 Y HN 0.322 nan 8.280 nan 0.000 0.531 398 G N 0.657 109.550 108.800 0.155 0.000 2.157 398 G HA2 -0.336 3.625 3.960 0.001 0.000 0.239 398 G HA3 -0.336 3.625 3.960 0.001 0.000 0.239 398 G C 0.380 175.360 174.900 0.132 0.000 0.982 398 G CA -0.026 45.157 45.100 0.139 0.000 0.650 398 G HN 0.367 nan 8.290 nan 0.000 0.527 399 N N -0.279 118.498 118.700 0.129 0.000 2.714 399 N HA -0.119 4.621 4.740 0.001 0.000 0.253 399 N C -1.378 174.211 175.510 0.131 0.000 1.024 399 N CA 1.342 54.459 53.050 0.112 0.000 0.726 399 N CB -0.393 38.141 38.487 0.078 0.000 0.908 399 N HN 0.616 nan 8.380 nan 0.000 0.542 400 P HA 0.280 nan 4.420 nan 0.000 0.274 400 P C -2.655 174.741 177.300 0.160 0.000 1.246 400 P CA -1.138 62.091 63.100 0.215 0.000 0.795 400 P CB -0.012 31.903 31.700 0.359 0.000 1.006 401 P HA 0.113 nan 4.420 nan 0.000 0.262 401 P C -0.367 176.990 177.300 0.095 0.000 1.199 401 P CA 0.847 64.006 63.100 0.098 0.000 0.763 401 P CB 0.040 31.831 31.700 0.153 0.000 0.790 402 I N 4.545 125.093 120.570 -0.037 0.000 2.474 402 I HA 0.330 4.500 4.170 0.001 0.000 0.294 402 I C -0.272 175.707 176.117 -0.229 0.000 1.005 402 I CA -0.814 60.483 61.300 -0.004 0.000 1.113 402 I CB 1.299 39.327 38.000 0.046 0.000 1.289 402 I HN 0.324 nan 8.210 nan 0.000 0.436 403 Y N 4.815 125.165 120.300 0.083 0.000 2.393 403 Y HA 0.414 4.964 4.550 0.001 0.000 0.341 403 Y C 0.381 176.342 175.900 0.102 0.000 0.988 403 Y CA -0.922 57.224 58.100 0.077 0.000 1.078 403 Y CB 1.924 40.441 38.460 0.094 0.000 1.203 403 Y HN 0.241 nan 8.280 nan 0.000 0.453 404 I N 3.770 124.490 120.570 0.251 0.000 2.293 404 I HA 0.015 4.186 4.170 0.001 0.000 0.299 404 I C 1.227 177.452 176.117 0.179 0.000 1.153 404 I CA 0.079 61.498 61.300 0.198 0.000 1.302 404 I CB -0.359 37.770 38.000 0.216 0.000 1.460 404 I HN 0.764 nan 8.210 nan 0.000 0.552 405 T N 2.038 116.652 114.554 0.100 0.000 3.085 405 T HA 0.152 4.502 4.350 0.001 0.000 0.263 405 T C 0.581 175.279 174.700 -0.004 0.000 1.127 405 T CA 0.353 62.410 62.100 -0.073 0.000 1.103 405 T CB 0.188 68.942 68.868 -0.189 0.000 0.921 405 T HN 0.563 nan 8.240 nan 0.000 0.510 406 E N 0.708 120.924 120.200 0.028 0.000 2.352 406 E HA 0.480 4.830 4.350 0.001 0.000 0.280 406 E C -1.364 175.111 176.600 -0.209 0.000 0.930 406 E CA -0.825 55.606 56.400 0.051 0.000 0.765 406 E CB 1.890 31.673 29.700 0.138 0.000 1.219 406 E HN 0.196 nan 8.360 nan 0.000 0.434 407 N N 1.446 120.011 118.700 -0.224 0.000 2.666 407 N HA 0.465 5.206 4.740 0.001 0.000 0.260 407 N C -1.330 174.226 175.510 0.078 0.000 1.077 407 N CA -0.114 52.745 53.050 -0.319 0.000 1.026 407 N CB 1.971 40.387 38.487 -0.117 0.000 1.653 407 N HN 0.692 nan 8.380 nan 0.000 0.533 408 G N 1.582 110.487 108.800 0.174 0.000 2.321 408 G HA2 0.415 4.375 3.960 0.001 0.000 0.296 408 G HA3 0.415 4.375 3.960 0.001 0.000 0.296 408 G C -1.657 173.250 174.900 0.013 0.000 1.287 408 G CA -0.580 44.691 45.100 0.285 0.000 0.846 408 G HN 0.683 nan 8.290 nan 0.000 0.508 409 I N -2.474 118.007 120.570 -0.148 0.000 3.042 409 I HA 0.912 5.082 4.170 0.001 0.000 0.310 409 I C 0.089 175.745 176.117 -0.769 0.000 1.117 409 I CA -1.366 59.671 61.300 -0.438 0.000 1.003 409 I CB 2.518 40.159 38.000 -0.600 0.000 1.228 409 I HN 0.915 nan 8.210 nan 0.000 0.443 410 G N 2.073 110.191 108.800 -1.136 0.000 2.384 410 G HA2 0.414 4.375 3.960 0.001 0.000 0.316 410 G HA3 0.414 4.375 3.960 0.001 0.000 0.316 410 G C -1.098 173.497 174.900 -0.508 0.000 1.160 410 G CA -0.363 44.010 45.100 -1.213 0.000 0.936 410 G HN 0.644 nan 8.290 nan 0.000 0.455 411 D N 1.728 121.935 120.400 -0.322 0.000 2.348 411 D HA 0.165 4.805 4.640 0.001 0.000 0.253 411 D C 0.654 176.892 176.300 -0.103 0.000 1.161 411 D CA 0.048 53.950 54.000 -0.164 0.000 0.876 411 D CB 2.188 42.936 40.800 -0.087 0.000 1.160 411 D HN 0.058 nan 8.370 nan 0.000 0.459 412 V N 2.736 122.607 119.914 -0.073 0.000 2.614 412 V HA 0.119 4.239 4.120 0.001 0.000 0.291 412 V C 0.337 176.435 176.094 0.006 0.000 1.049 412 V CA 0.238 62.522 62.300 -0.025 0.000 1.038 412 V CB 1.257 33.072 31.823 -0.014 0.000 0.980 412 V HN 0.506 nan 8.190 nan 0.000 0.481 413 D N 2.379 122.796 120.400 0.029 0.000 2.365 413 D HA 0.333 4.973 4.640 0.001 0.000 0.235 413 D C -0.607 175.728 176.300 0.058 0.000 1.368 413 D CA -0.142 53.886 54.000 0.046 0.000 1.001 413 D CB 1.737 42.571 40.800 0.056 0.000 1.364 413 D HN 0.619 nan 8.370 nan 0.000 0.577 414 T N 1.467 116.052 114.554 0.053 0.000 2.916 414 T HA 0.349 4.699 4.350 0.001 0.000 0.292 414 T C 1.157 175.888 174.700 0.052 0.000 1.064 414 T CA -0.509 61.626 62.100 0.059 0.000 1.011 414 T CB 1.525 70.427 68.868 0.057 0.000 1.152 414 T HN 0.177 nan 8.240 nan 0.000 0.510 415 K N 0.676 121.108 120.400 0.054 0.000 2.103 415 K HA -0.109 4.212 4.320 0.001 0.000 0.207 415 K C 1.610 178.232 176.600 0.038 0.000 1.048 415 K CA 1.761 58.075 56.287 0.045 0.000 0.930 415 K CB 0.033 32.561 32.500 0.047 0.000 0.716 415 K HN 0.592 nan 8.250 nan 0.000 0.444 416 E N -0.607 119.616 120.200 0.039 0.000 2.230 416 E HA -0.023 4.327 4.350 0.001 0.000 0.192 416 E C 0.080 176.698 176.600 0.030 0.000 0.987 416 E CA 0.746 57.166 56.400 0.033 0.000 0.841 416 E CB 0.501 30.222 29.700 0.034 0.000 0.783 416 E HN -0.013 nan 8.360 nan 0.000 0.481 417 T N 2.234 116.808 114.554 0.032 0.000 3.428 417 T HA 0.265 4.616 4.350 0.001 0.000 0.301 417 T C -2.740 171.979 174.700 0.031 0.000 1.323 417 T CA -1.386 60.731 62.100 0.028 0.000 1.647 417 T CB 1.119 70.004 68.868 0.028 0.000 0.871 417 T HN -0.119 nan 8.240 nan 0.000 0.627 418 P HA 0.170 nan 4.420 nan 0.000 0.269 418 P C -0.453 176.867 177.300 0.034 0.000 1.215 418 P CA -0.592 62.529 63.100 0.035 0.000 0.780 418 P CB 0.809 32.528 31.700 0.031 0.000 0.898 419 L N 4.226 125.477 121.223 0.046 0.000 2.277 419 L HA 0.353 4.694 4.340 0.001 0.000 0.284 419 L C -2.178 174.719 176.870 0.045 0.000 1.028 419 L CA -2.157 52.711 54.840 0.045 0.000 0.835 419 L CB 1.239 43.336 42.059 0.064 0.000 1.215 419 L HN 0.241 nan 8.230 nan 0.000 0.425 420 P HA -0.036 nan 4.420 nan 0.000 0.262 420 P C 0.783 178.050 177.300 -0.056 0.000 1.182 420 P CA 0.170 63.260 63.100 -0.016 0.000 0.761 420 P CB 0.647 32.331 31.700 -0.027 0.000 0.795 421 M N 2.653 122.184 119.600 -0.116 0.000 2.143 421 M HA -0.283 4.197 4.480 0.001 0.000 0.258 421 M C 1.800 177.904 176.300 -0.327 0.000 1.071 421 M CA 1.934 57.031 55.300 -0.338 0.000 1.088 421 M CB -0.205 32.136 32.600 -0.431 0.000 1.360 421 M HN 0.440 nan 8.290 nan 0.000 0.404 422 E N -0.258 119.822 120.200 -0.200 0.000 2.077 422 E HA -0.209 4.142 4.350 0.001 0.000 0.193 422 E C 1.807 178.344 176.600 -0.105 0.000 0.989 422 E CA 1.433 57.742 56.400 -0.152 0.000 0.800 422 E CB -0.116 29.525 29.700 -0.098 0.000 0.746 422 E HN 0.670 nan 8.360 nan 0.000 0.452 423 A N 0.936 123.713 122.820 -0.070 0.000 1.929 423 A HA -0.009 4.311 4.320 0.001 0.000 0.216 423 A C 2.358 179.920 177.584 -0.037 0.000 1.176 423 A CA 1.479 53.497 52.037 -0.031 0.000 0.628 423 A CB -0.636 18.358 19.000 -0.010 0.000 0.816 423 A HN 0.398 nan 8.150 nan 0.000 0.444 424 A N -0.137 122.655 122.820 -0.047 0.000 1.908 424 A HA -0.067 4.254 4.320 0.001 0.000 0.218 424 A C 2.133 179.693 177.584 -0.040 0.000 1.181 424 A CA 1.553 53.594 52.037 0.007 0.000 0.627 424 A CB -0.550 18.526 19.000 0.127 0.000 0.818 424 A HN 0.476 nan 8.150 nan 0.000 0.445 425 L N -0.513 120.621 121.223 -0.147 0.000 2.179 425 L HA -0.046 4.294 4.340 0.001 0.000 0.208 425 L C 0.358 177.139 176.870 -0.148 0.000 1.096 425 L CA 0.399 55.153 54.840 -0.144 0.000 0.779 425 L CB -0.420 41.517 42.059 -0.204 0.000 0.922 425 L HN 0.271 nan 8.230 nan 0.000 0.443 426 N N 1.664 120.286 118.700 -0.130 0.000 3.303 426 N HA 0.005 4.746 4.740 0.001 0.000 0.304 426 N C -0.385 174.997 175.510 -0.214 0.000 1.302 426 N CA 0.106 53.050 53.050 -0.176 0.000 1.213 426 N CB -0.113 38.411 38.487 0.062 0.000 1.481 426 N HN 0.268 nan 8.380 nan 0.000 0.546 427 D N -0.577 119.643 120.400 -0.300 0.000 3.057 427 D HA -0.035 4.605 4.640 0.001 0.000 0.246 427 D C 0.652 176.839 176.300 -0.188 0.000 1.238 427 D CA -0.537 53.362 54.000 -0.168 0.000 0.949 427 D CB -0.463 40.277 40.800 -0.099 0.000 1.086 427 D HN 0.281 nan 8.370 nan 0.000 0.487 428 Y N 0.597 120.888 120.300 -0.017 0.000 2.352 428 Y HA -0.137 4.414 4.550 0.001 0.000 0.292 428 Y C 2.523 178.408 175.900 -0.025 0.000 1.136 428 Y CA 0.971 59.054 58.100 -0.028 0.000 1.227 428 Y CB 0.009 38.451 38.460 -0.030 0.000 0.991 428 Y HN 0.136 nan 8.280 nan 0.000 0.545 429 K N 1.012 121.476 120.400 0.106 0.000 2.026 429 K HA -0.228 4.093 4.320 0.001 0.000 0.208 429 K C 2.340 178.973 176.600 0.055 0.000 1.048 429 K CA 1.496 57.822 56.287 0.065 0.000 0.929 429 K CB -0.131 32.383 32.500 0.023 0.000 0.713 429 K HN 0.160 nan 8.250 nan 0.000 0.439 430 R N 0.346 120.850 120.500 0.006 0.000 2.081 430 R HA -0.149 4.191 4.340 0.001 0.000 0.235 430 R C 2.289 178.635 176.300 0.077 0.000 1.131 430 R CA 1.484 57.592 56.100 0.013 0.000 0.960 430 R CB -0.391 29.895 30.300 -0.023 0.000 0.856 430 R HN 0.278 nan 8.270 nan 0.000 0.436 431 L N 1.499 122.726 121.223 0.007 0.000 2.017 431 L HA -0.161 4.180 4.340 0.001 0.000 0.208 431 L C 1.766 178.568 176.870 -0.113 0.000 1.073 431 L CA 2.421 57.219 54.840 -0.070 0.000 0.745 431 L CB -0.872 41.118 42.059 -0.116 0.000 0.894 431 L HN 0.276 nan 8.230 nan 0.000 0.432 432 D N -1.915 118.469 120.400 -0.026 0.000 2.104 432 D HA -0.336 4.305 4.640 0.001 0.000 0.194 432 D C 2.182 178.504 176.300 0.036 0.000 0.994 432 D CA 1.744 55.726 54.000 -0.030 0.000 0.830 432 D CB -0.381 40.437 40.800 0.029 0.000 0.959 432 D HN 0.506 nan 8.370 nan 0.000 0.452 433 Y N 0.654 120.962 120.300 0.013 0.000 2.145 433 Y HA -0.115 4.436 4.550 0.001 0.000 0.286 433 Y C 2.065 178.089 175.900 0.208 0.000 1.145 433 Y CA 1.625 59.804 58.100 0.133 0.000 1.148 433 Y CB -0.305 38.246 38.460 0.151 0.000 0.981 433 Y HN 0.064 nan 8.280 nan 0.000 0.507 434 I N 0.064 120.825 120.570 0.319 0.000 2.226 434 I HA -0.342 3.829 4.170 0.001 0.000 0.245 434 I C 2.395 178.467 176.117 -0.075 0.000 1.100 434 I CA 1.586 63.007 61.300 0.202 0.000 1.374 434 I CB -0.483 37.632 38.000 0.191 0.000 1.057 434 I HN 0.343 nan 8.210 nan 0.000 0.413 435 Q N 0.334 119.981 119.800 -0.255 0.000 2.084 435 Q HA -0.197 4.144 4.340 0.001 0.000 0.202 435 Q C 2.394 178.277 176.000 -0.194 0.000 0.978 435 Q CA 1.431 56.995 55.803 -0.397 0.000 0.844 435 Q CB -0.117 28.288 28.738 -0.555 0.000 0.898 435 Q HN 0.446 nan 8.270 nan 0.000 0.426 436 R N -0.623 119.784 120.500 -0.153 0.000 2.092 436 R HA -0.121 4.219 4.340 0.001 0.000 0.231 436 R C 1.903 178.085 176.300 -0.198 0.000 1.119 436 R CA 1.341 57.340 56.100 -0.168 0.000 0.970 436 R CB -0.157 30.012 30.300 -0.219 0.000 0.864 436 R HN 0.399 nan 8.270 nan 0.000 0.440 437 H N -0.078 118.909 119.070 -0.138 0.000 2.395 437 H HA 0.026 4.583 4.556 0.001 0.000 0.299 437 H C 1.927 177.237 175.328 -0.030 0.000 1.070 437 H CA 1.315 57.322 56.048 -0.069 0.000 1.356 437 H CB 0.099 29.847 29.762 -0.022 0.000 1.401 437 H HN 0.089 nan 8.280 nan 0.000 0.524 438 I N 0.147 120.698 120.570 -0.030 0.000 2.315 438 I HA -0.245 3.925 4.170 0.001 0.000 0.248 438 I C 2.521 178.793 176.117 0.259 0.000 1.117 438 I CA 0.915 62.198 61.300 -0.027 0.000 1.404 438 I CB -0.220 37.639 38.000 -0.236 0.000 1.071 438 I HN 0.317 nan 8.210 nan 0.000 0.419 439 A N 0.076 123.003 122.820 0.179 0.000 1.969 439 A HA -0.180 4.140 4.320 0.001 0.000 0.218 439 A C 2.343 180.045 177.584 0.196 0.000 1.169 439 A CA 2.182 54.392 52.037 0.288 0.000 0.635 439 A CB -0.955 18.181 19.000 0.226 0.000 0.810 439 A HN 0.357 nan 8.150 nan 0.000 0.445 440 T N 0.472 115.086 114.554 0.100 0.000 2.833 440 T HA -0.061 4.290 4.350 0.001 0.000 0.269 440 T C 1.736 176.504 174.700 0.114 0.000 1.054 440 T CA 1.266 63.399 62.100 0.054 0.000 1.135 440 T CB -0.326 68.530 68.868 -0.019 0.000 0.869 440 T HN 0.384 nan 8.240 nan 0.000 0.466 441 L N 0.606 121.956 121.223 0.212 0.000 2.093 441 L HA -0.084 4.257 4.340 0.001 0.000 0.208 441 L C 2.641 179.653 176.870 0.238 0.000 1.085 441 L CA 1.136 56.145 54.840 0.282 0.000 0.755 441 L CB -0.443 41.866 42.059 0.417 0.000 0.904 441 L HN 0.182 nan 8.230 nan 0.000 0.435 442 K N 1.006 121.514 120.400 0.180 0.000 2.025 442 K HA -0.188 4.133 4.320 0.001 0.000 0.207 442 K C 1.814 178.367 176.600 -0.077 0.000 1.049 442 K CA 1.566 57.781 56.287 -0.119 0.000 0.933 442 K CB -0.141 32.234 32.500 -0.208 0.000 0.714 442 K HN 0.268 nan 8.250 nan 0.000 0.438 443 E N -0.201 119.984 120.200 -0.024 0.000 2.118 443 E HA -0.152 4.198 4.350 0.001 0.000 0.195 443 E C 1.957 178.547 176.600 -0.016 0.000 0.992 443 E CA 1.593 57.969 56.400 -0.040 0.000 0.804 443 E CB -0.059 29.625 29.700 -0.026 0.000 0.741 443 E HN 0.272 nan 8.360 nan 0.000 0.458 444 S N 0.669 116.384 115.700 0.024 0.000 2.371 444 S HA -0.086 4.385 4.470 0.001 0.000 0.224 444 S C 2.045 176.670 174.600 0.043 0.000 1.029 444 S CA 0.656 58.879 58.200 0.039 0.000 0.978 444 S CB -0.139 63.103 63.200 0.070 0.000 0.833 444 S HN 0.179 nan 8.310 nan 0.000 0.466 445 I N 2.068 122.670 120.570 0.054 0.000 2.208 445 I HA -0.230 3.940 4.170 0.001 0.000 0.245 445 I C 1.917 178.036 176.117 0.003 0.000 1.097 445 I CA 1.198 62.527 61.300 0.048 0.000 1.363 445 I CB -0.414 37.613 38.000 0.045 0.000 1.051 445 I HN 0.158 nan 8.210 nan 0.000 0.413 446 D N 0.655 121.034 120.400 -0.035 0.000 2.178 446 D HA -0.108 4.533 4.640 0.001 0.000 0.201 446 D C 2.014 178.298 176.300 -0.028 0.000 0.980 446 D CA 1.209 55.178 54.000 -0.051 0.000 0.842 446 D CB -0.145 40.603 40.800 -0.087 0.000 0.948 446 D HN 0.335 nan 8.370 nan 0.000 0.472 447 L N -0.754 120.460 121.223 -0.014 0.000 2.612 447 L HA 0.203 4.544 4.340 0.001 0.000 0.230 447 L C 1.410 178.284 176.870 0.007 0.000 1.140 447 L CA 0.322 55.158 54.840 -0.005 0.000 0.896 447 L CB 0.043 42.100 42.059 -0.003 0.000 1.065 447 L HN 0.108 nan 8.230 nan 0.000 0.447 448 G N -0.495 108.315 108.800 0.015 0.000 2.144 448 G HA2 -0.273 3.688 3.960 0.001 0.000 0.218 448 G HA3 -0.273 3.688 3.960 0.001 0.000 0.218 448 G C 0.366 175.291 174.900 0.042 0.000 0.988 448 G CA 0.250 45.366 45.100 0.026 0.000 0.659 448 G HN 0.316 nan 8.290 nan 0.000 0.522 449 S N -0.163 115.567 115.700 0.051 0.000 2.549 449 S HA 0.281 4.751 4.470 0.001 0.000 0.286 449 S C 1.049 175.698 174.600 0.081 0.000 1.314 449 S CA 0.433 58.673 58.200 0.067 0.000 1.062 449 S CB 0.651 63.898 63.200 0.079 0.000 0.865 449 S HN 0.421 nan 8.310 nan 0.000 0.498 450 N N 4.040 122.784 118.700 0.074 0.000 2.484 450 N HA 0.059 4.800 4.740 0.001 0.000 0.245 450 N C -0.309 175.223 175.510 0.036 0.000 1.184 450 N CA -0.122 52.968 53.050 0.066 0.000 0.884 450 N CB -0.262 38.265 38.487 0.066 0.000 1.182 450 N HN 0.424 nan 8.380 nan 0.000 0.493 451 V N 0.916 120.873 119.914 0.071 0.000 2.572 451 V HA 0.113 4.234 4.120 0.001 0.000 0.291 451 V C 0.503 176.582 176.094 -0.026 0.000 1.039 451 V CA 0.409 62.726 62.300 0.029 0.000 1.055 451 V CB 1.281 33.200 31.823 0.159 0.000 0.969 451 V HN 0.352 nan 8.190 nan 0.000 0.482 452 Q N 4.906 124.385 119.800 -0.535 0.000 2.164 452 Q HA 0.371 4.712 4.340 0.001 0.000 0.226 452 Q C 0.387 175.336 176.000 -1.751 0.000 0.813 452 Q CA 0.684 55.911 55.803 -0.959 0.000 0.978 452 Q CB 1.743 29.984 28.738 -0.829 0.000 1.149 452 Q HN 0.937 nan 8.270 nan 0.000 0.489 453 G N 0.204 108.174 108.800 -1.383 0.000 2.506 453 G HA2 0.434 4.395 3.960 0.001 0.000 0.292 453 G HA3 0.434 4.395 3.960 0.001 0.000 0.292 453 G C -2.446 172.361 174.900 -0.154 0.000 1.425 453 G CA -0.577 43.987 45.100 -0.893 0.000 0.788 453 G HN 0.005 nan 8.290 nan 0.000 0.490 454 Y N -0.164 119.947 120.300 -0.316 0.000 2.401 454 Y HA 0.720 5.271 4.550 0.001 0.000 0.330 454 Y C -1.997 173.819 175.900 -0.140 0.000 1.071 454 Y CA -1.356 56.719 58.100 -0.041 0.000 1.049 454 Y CB 1.703 40.186 38.460 0.039 0.000 1.239 454 Y HN 0.446 nan 8.280 nan 0.000 0.437 455 F N 4.965 124.640 119.950 -0.458 0.000 2.477 455 F HA 0.704 5.231 4.527 0.001 0.000 0.335 455 F C 0.281 175.817 175.800 -0.440 0.000 1.130 455 F CA -0.866 56.967 58.000 -0.278 0.000 0.948 455 F CB 1.777 40.686 39.000 -0.150 0.000 1.154 455 F HN 0.710 nan 8.300 nan 0.000 0.439 456 A N 4.574 127.380 122.820 -0.023 0.000 2.491 456 A HA 0.002 4.323 4.320 0.001 0.000 0.261 456 A C -0.350 177.339 177.584 0.176 0.000 1.101 456 A CA -0.397 51.704 52.037 0.106 0.000 0.772 456 A CB 0.033 19.176 19.000 0.239 0.000 1.043 456 A HN 0.907 nan 8.150 nan 0.000 0.501 457 W N 3.429 124.777 121.300 0.080 0.000 2.605 457 W HA 0.350 5.010 4.660 0.001 0.000 0.327 457 W C -0.619 176.006 176.519 0.177 0.000 1.332 457 W CA 0.617 58.041 57.345 0.131 0.000 1.403 457 W CB 0.117 29.698 29.460 0.202 0.000 1.452 457 W HN 0.860 nan 8.180 nan 0.000 0.503 458 S N 5.472 120.684 115.700 -0.812 0.000 3.787 458 S HA -0.199 4.272 4.470 0.001 0.000 0.779 458 S C 0.821 175.250 174.600 -0.285 0.000 0.453 458 S CA -0.085 57.614 58.200 -0.836 0.000 1.412 458 S CB -1.398 61.337 63.200 -0.775 0.000 0.793 458 S HN 0.717 nan 8.310 nan 0.000 1.065 459 L N 1.554 122.662 121.223 -0.192 0.000 2.034 459 L HA -0.124 4.217 4.340 0.001 0.000 0.217 459 L C 0.538 177.348 176.870 -0.100 0.000 1.077 459 L CA 2.027 56.819 54.840 -0.081 0.000 0.769 459 L CB -0.037 42.008 42.059 -0.024 0.000 0.890 459 L HN 0.636 nan 8.230 nan 0.000 0.435 460 L N -0.419 120.710 121.223 -0.157 0.000 2.381 460 L HA 0.319 4.659 4.340 0.001 0.000 0.268 460 L C -0.739 176.066 176.870 -0.108 0.000 0.997 460 L CA -1.136 53.640 54.840 -0.108 0.000 0.818 460 L CB 1.767 43.773 42.059 -0.089 0.000 1.310 460 L HN -0.146 nan 8.230 nan 0.000 0.416 461 D N 3.238 123.604 120.400 -0.058 0.000 2.493 461 D HA 0.109 4.750 4.640 0.001 0.000 0.240 461 D C -0.383 175.926 176.300 0.015 0.000 1.142 461 D CA 0.672 54.658 54.000 -0.023 0.000 0.872 461 D CB 0.378 41.121 40.800 -0.095 0.000 1.173 461 D HN 0.662 nan 8.370 nan 0.000 0.467 462 N N 0.415 119.155 118.700 0.066 0.000 3.243 462 N HA 0.212 4.952 4.740 0.001 0.000 0.280 462 N C -1.098 174.384 175.510 -0.047 0.000 1.545 462 N CA -0.816 52.276 53.050 0.069 0.000 0.854 462 N CB 0.666 39.112 38.487 -0.069 0.000 1.612 462 N HN 0.194 nan 8.380 nan 0.000 0.577 463 F N 1.432 121.104 119.950 -0.464 0.000 2.494 463 F HA 0.156 4.683 4.527 0.001 0.000 0.369 463 F C 0.729 176.064 175.800 -0.775 0.000 1.098 463 F CA -0.200 57.241 58.000 -0.931 0.000 1.154 463 F CB 0.522 38.958 39.000 -0.940 0.000 1.103 463 F HN 0.575 nan 8.300 nan 0.000 0.549 464 E N 7.319 126.919 120.200 -1.001 0.000 2.325 464 E HA 0.177 4.528 4.350 0.001 0.000 0.295 464 E C -0.337 175.808 176.600 -0.758 0.000 1.461 464 E CA -0.113 55.866 56.400 -0.700 0.000 1.698 464 E CB -0.539 29.029 29.700 -0.220 0.000 1.496 464 E HN 0.734 nan 8.360 nan 0.000 0.474 465 W N -0.341 120.426 121.300 -0.888 0.000 2.245 465 W HA -0.476 4.184 4.660 0.001 0.000 0.286 465 W C 1.415 177.766 176.519 -0.280 0.000 1.350 465 W CA 1.032 58.043 57.345 -0.555 0.000 1.307 465 W CB -1.775 27.475 29.460 -0.350 0.000 0.894 465 W HN 0.416 nan 8.180 nan 0.000 0.518 466 F N -0.113 120.168 119.950 0.553 0.000 2.546 466 F HA 0.322 4.849 4.527 0.001 0.000 0.298 466 F C 1.763 177.677 175.800 0.191 0.000 1.120 466 F CA 1.010 59.281 58.000 0.451 0.000 1.456 466 F CB -1.230 38.083 39.000 0.522 0.000 1.088 466 F HN 0.195 nan 8.300 nan 0.000 0.572 467 A N 0.780 123.466 122.820 -0.223 0.000 2.208 467 A HA 0.451 4.771 4.320 0.001 0.000 0.209 467 A C 1.969 179.447 177.584 -0.178 0.000 1.161 467 A CA 0.703 52.670 52.037 -0.115 0.000 0.782 467 A CB -1.365 17.540 19.000 -0.158 0.000 0.816 467 A HN 0.851 nan 8.150 nan 0.000 0.477 468 G N -0.487 108.038 108.800 -0.459 0.000 2.596 468 G HA2 -0.333 3.627 3.960 0.001 0.000 0.295 468 G HA3 -0.333 3.627 3.960 0.001 0.000 0.295 468 G C 0.271 174.790 174.900 -0.634 0.000 1.240 468 G CA 0.605 45.349 45.100 -0.593 0.000 0.985 468 G HN 0.552 nan 8.290 nan 0.000 0.555 469 F N 2.253 122.170 119.950 -0.056 0.000 2.645 469 F HA 0.268 4.795 4.527 0.001 0.000 0.300 469 F C 2.659 178.449 175.800 -0.017 0.000 1.115 469 F CA 1.116 59.098 58.000 -0.030 0.000 1.355 469 F CB 0.184 39.194 39.000 0.016 0.000 1.026 469 F HN 0.541 nan 8.300 nan 0.000 0.536 470 T N -3.145 111.465 114.554 0.094 0.000 3.072 470 T HA -0.004 4.346 4.350 0.001 0.000 0.266 470 T C 0.541 175.274 174.700 0.055 0.000 1.127 470 T CA 0.611 62.759 62.100 0.081 0.000 1.107 470 T CB -0.208 68.704 68.868 0.073 0.000 0.910 470 T HN 0.243 nan 8.240 nan 0.000 0.513 471 E N 0.636 120.865 120.200 0.048 0.000 2.234 471 E HA 0.468 4.819 4.350 0.001 0.000 0.266 471 E C -0.885 175.756 176.600 0.069 0.000 0.877 471 E CA -0.767 55.653 56.400 0.033 0.000 0.758 471 E CB 1.863 31.608 29.700 0.075 0.000 1.170 471 E HN 0.218 nan 8.360 nan 0.000 0.415 472 R N 2.583 123.080 120.500 -0.005 0.000 2.246 472 R HA 0.243 4.584 4.340 0.001 0.000 0.332 472 R C -0.309 175.973 176.300 -0.029 0.000 0.974 472 R CA -0.207 55.907 56.100 0.024 0.000 0.837 472 R CB 0.685 30.986 30.300 0.001 0.000 1.145 472 R HN 0.631 nan 8.270 nan 0.000 0.467 473 Y N 0.478 120.797 120.300 0.032 0.000 2.458 473 Y HA 0.181 4.732 4.550 0.001 0.000 0.256 473 Y C 1.604 177.490 175.900 -0.023 0.000 1.159 473 Y CA -0.196 57.941 58.100 0.062 0.000 1.261 473 Y CB 0.950 39.545 38.460 0.225 0.000 1.119 473 Y HN 0.698 nan 8.280 nan 0.000 0.524 474 G N 1.013 109.855 108.800 0.071 0.000 2.491 474 G HA2 0.173 4.134 3.960 0.001 0.000 0.242 474 G HA3 0.173 4.134 3.960 0.001 0.000 0.242 474 G C 1.151 176.071 174.900 0.035 0.000 1.266 474 G CA -0.249 44.855 45.100 0.006 0.000 0.844 474 G HN 0.513 nan 8.290 nan 0.000 0.571 475 I N -0.492 120.095 120.570 0.028 0.000 3.251 475 I HA 0.193 4.364 4.170 0.001 0.000 0.277 475 I C -0.181 175.966 176.117 0.050 0.000 1.268 475 I CA 0.132 61.461 61.300 0.049 0.000 1.449 475 I CB -0.091 37.949 38.000 0.066 0.000 1.083 475 I HN 0.022 nan 8.210 nan 0.000 0.464 476 V N 1.206 121.146 119.914 0.042 0.000 2.487 476 V HA 0.281 4.402 4.120 0.001 0.000 0.298 476 V C -0.712 175.448 176.094 0.111 0.000 1.028 476 V CA -0.734 61.608 62.300 0.070 0.000 0.860 476 V CB 1.463 33.297 31.823 0.018 0.000 0.991 476 V HN 0.188 nan 8.190 nan 0.000 0.427 477 Y N 4.526 124.856 120.300 0.050 0.000 2.411 477 Y HA 0.449 4.999 4.550 0.001 0.000 0.333 477 Y C -0.042 175.909 175.900 0.085 0.000 1.186 477 Y CA 0.225 58.369 58.100 0.073 0.000 1.381 477 Y CB 1.184 39.706 38.460 0.102 0.000 1.273 477 Y HN 0.395 nan 8.280 nan 0.000 0.546 478 V N 6.463 126.175 119.914 -0.336 0.000 2.376 478 V HA 0.121 4.241 4.120 0.001 0.000 0.287 478 V C -0.727 175.176 176.094 -0.317 0.000 1.015 478 V CA -0.999 61.181 62.300 -0.200 0.000 0.834 478 V CB 1.298 33.028 31.823 -0.156 0.000 1.001 478 V HN 0.693 nan 8.190 nan 0.000 0.428 479 D N 4.332 124.745 120.400 0.020 0.000 2.374 479 D HA 0.185 4.826 4.640 0.001 0.000 0.240 479 D C 1.283 177.574 176.300 -0.014 0.000 1.229 479 D CA -0.040 54.025 54.000 0.107 0.000 0.895 479 D CB 0.776 41.793 40.800 0.361 0.000 1.046 479 D HN 0.408 nan 8.370 nan 0.000 0.498 480 R N 2.643 123.076 120.500 -0.111 0.000 2.189 480 R HA -0.026 4.314 4.340 0.001 0.000 0.218 480 R C 1.268 177.519 176.300 -0.080 0.000 1.074 480 R CA 0.700 56.710 56.100 -0.149 0.000 0.991 480 R CB 0.092 30.216 30.300 -0.294 0.000 0.883 480 R HN 0.498 nan 8.270 nan 0.000 0.457 481 N N 0.104 118.785 118.700 -0.031 0.000 2.396 481 N HA -0.084 4.656 4.740 0.001 0.000 0.180 481 N C 1.090 176.607 175.510 0.011 0.000 1.028 481 N CA 0.519 53.565 53.050 -0.006 0.000 0.893 481 N CB 0.084 38.580 38.487 0.015 0.000 0.967 481 N HN 0.254 nan 8.380 nan 0.000 0.440 482 N N -0.012 118.707 118.700 0.032 0.000 2.241 482 N HA 0.143 4.883 4.740 0.001 0.000 0.255 482 N C -0.488 175.027 175.510 0.009 0.000 1.265 482 N CA -0.046 53.027 53.050 0.038 0.000 0.906 482 N CB 0.478 39.017 38.487 0.086 0.000 1.187 482 N HN -0.055 nan 8.380 nan 0.000 0.409 483 N N 0.433 119.135 118.700 0.003 0.000 2.679 483 N HA 0.200 4.941 4.740 0.001 0.000 0.302 483 N C -1.151 174.346 175.510 -0.023 0.000 1.941 483 N CA -0.027 53.014 53.050 -0.015 0.000 0.875 483 N CB 0.345 38.821 38.487 -0.018 0.000 1.278 483 N HN 0.472 nan 8.380 nan 0.000 0.490 484 C N 0.249 119.531 119.300 -0.030 0.000 4.165 484 C HA -0.156 4.304 4.460 0.001 0.000 0.299 484 C C 1.056 176.017 174.990 -0.048 0.000 1.445 484 C CA 0.479 59.471 59.018 -0.043 0.000 2.029 484 C CB -3.057 24.658 27.740 -0.042 0.000 1.288 484 C HN 0.445 nan 8.230 nan 0.000 0.752 485 T N 0.720 115.251 114.554 -0.038 0.000 2.940 485 T HA 0.274 4.624 4.350 0.001 0.000 0.309 485 T C 0.507 175.089 174.700 -0.197 0.000 1.056 485 T CA 0.369 62.385 62.100 -0.141 0.000 1.137 485 T CB 0.474 69.259 68.868 -0.139 0.000 0.976 485 T HN 0.471 nan 8.240 nan 0.000 0.547 486 R N 1.735 122.029 120.500 -0.344 0.000 2.338 486 R HA 0.485 4.826 4.340 0.001 0.000 0.317 486 R C -1.270 174.769 176.300 -0.435 0.000 0.968 486 R CA -0.417 55.541 56.100 -0.237 0.000 0.849 486 R CB 0.839 31.047 30.300 -0.153 0.000 1.128 486 R HN 0.587 nan 8.270 nan 0.000 0.448 487 Y N 1.989 122.339 120.300 0.083 0.000 2.391 487 Y HA 0.373 4.924 4.550 0.001 0.000 0.341 487 Y C 0.323 176.247 175.900 0.040 0.000 0.965 487 Y CA -1.071 57.055 58.100 0.043 0.000 1.067 487 Y CB 1.534 40.005 38.460 0.019 0.000 1.199 487 Y HN 0.247 nan 8.280 nan 0.000 0.450 488 M N 3.923 123.606 119.600 0.138 0.000 2.252 488 M HA 0.103 4.584 4.480 0.001 0.000 0.348 488 M C -0.108 176.234 176.300 0.070 0.000 1.334 488 M CA 0.564 55.911 55.300 0.079 0.000 1.071 488 M CB 0.388 33.013 32.600 0.041 0.000 1.763 488 M HN 0.668 nan 8.290 nan 0.000 0.452 489 K N 1.788 122.218 120.400 0.051 0.000 2.098 489 K HA 0.146 4.467 4.320 0.001 0.000 0.244 489 K C 0.938 177.517 176.600 -0.034 0.000 1.014 489 K CA -0.889 55.397 56.287 -0.000 0.000 0.917 489 K CB 0.792 33.297 32.500 0.009 0.000 1.072 489 K HN 0.484 nan 8.250 nan 0.000 0.477 490 E N 0.776 120.903 120.200 -0.122 0.000 2.118 490 E HA -0.197 4.154 4.350 0.001 0.000 0.195 490 E C 1.986 178.554 176.600 -0.053 0.000 0.992 490 E CA 1.875 58.181 56.400 -0.157 0.000 0.804 490 E CB -0.363 29.047 29.700 -0.484 0.000 0.741 490 E HN 0.700 nan 8.360 nan 0.000 0.458 491 S N 1.141 116.809 115.700 -0.053 0.000 2.359 491 S HA -0.162 4.309 4.470 0.001 0.000 0.224 491 S C 2.269 176.951 174.600 0.137 0.000 1.035 491 S CA 1.465 59.699 58.200 0.057 0.000 1.018 491 S CB -0.401 62.825 63.200 0.043 0.000 0.876 491 S HN 0.285 nan 8.310 nan 0.000 0.448 492 A N 2.093 124.962 122.820 0.080 0.000 1.930 492 A HA -0.016 4.305 4.320 0.001 0.000 0.217 492 A C 2.270 179.891 177.584 0.061 0.000 1.175 492 A CA 1.496 53.575 52.037 0.070 0.000 0.627 492 A CB -0.554 18.471 19.000 0.041 0.000 0.815 492 A HN 0.606 nan 8.150 nan 0.000 0.443 493 K N -1.957 118.482 120.400 0.064 0.000 2.097 493 K HA -0.178 4.142 4.320 0.001 0.000 0.205 493 K C 1.780 178.430 176.600 0.083 0.000 1.050 493 K CA 1.462 57.782 56.287 0.054 0.000 0.938 493 K CB -0.232 32.298 32.500 0.049 0.000 0.718 493 K HN 0.735 nan 8.250 nan 0.000 0.442 494 W N 1.602 122.887 121.300 -0.025 0.000 2.409 494 W HA -0.083 4.578 4.660 0.001 0.000 0.299 494 W C 1.401 177.912 176.519 -0.013 0.000 1.203 494 W CA 0.978 58.312 57.345 -0.018 0.000 1.298 494 W CB -0.171 29.268 29.460 -0.035 0.000 1.127 494 W HN -0.098 nan 8.180 nan 0.000 0.528 495 L N 0.975 122.182 121.223 -0.026 0.000 2.083 495 L HA -0.237 4.104 4.340 0.001 0.000 0.209 495 L C 2.638 179.374 176.870 -0.224 0.000 1.083 495 L CA 1.916 56.617 54.840 -0.231 0.000 0.752 495 L CB -0.886 41.177 42.059 0.006 0.000 0.899 495 L HN -0.010 nan 8.230 nan 0.000 0.433 496 K N 0.505 120.822 120.400 -0.138 0.000 2.002 496 K HA -0.277 4.044 4.320 0.001 0.000 0.209 496 K C 2.094 178.584 176.600 -0.183 0.000 1.048 496 K CA 1.931 58.144 56.287 -0.123 0.000 0.930 496 K CB -0.140 32.318 32.500 -0.071 0.000 0.714 496 K HN 0.272 nan 8.250 nan 0.000 0.438 497 E N -0.281 119.787 120.200 -0.219 0.000 2.085 497 E HA -0.245 4.106 4.350 0.001 0.000 0.194 497 E C 1.923 178.312 176.600 -0.351 0.000 0.994 497 E CA 1.417 57.672 56.400 -0.243 0.000 0.801 497 E CB -0.260 29.317 29.700 -0.206 0.000 0.743 497 E HN 0.436 nan 8.360 nan 0.000 0.453 498 F N 1.737 121.228 119.950 -0.765 0.000 2.075 498 F HA -0.197 4.331 4.527 0.001 0.000 0.297 498 F C 2.036 177.501 175.800 -0.557 0.000 1.113 498 F CA 1.782 59.264 58.000 -0.863 0.000 1.218 498 F CB -0.191 37.926 39.000 -1.472 0.000 0.984 498 F HN 0.023 nan 8.300 nan 0.000 0.472 499 N N -0.329 118.129 118.700 -0.405 0.000 2.270 499 N HA -0.104 4.636 4.740 0.001 0.000 0.181 499 N C 1.642 176.991 175.510 -0.269 0.000 1.016 499 N CA 1.865 54.709 53.050 -0.343 0.000 0.870 499 N CB -0.625 37.776 38.487 -0.143 0.000 0.979 499 N HN 0.486 nan 8.380 nan 0.000 0.431 500 T N -3.112 111.306 114.554 -0.228 0.000 3.092 500 T HA 0.449 4.800 4.350 0.001 0.000 0.258 500 T C 1.653 176.262 174.700 -0.152 0.000 1.031 500 T CA 0.192 62.199 62.100 -0.156 0.000 0.925 500 T CB 0.376 69.177 68.868 -0.113 0.000 1.036 500 T HN 0.059 nan 8.240 nan 0.000 0.544 501 A N 1.551 124.251 122.820 -0.200 0.000 1.972 501 A HA 0.483 4.803 4.320 0.001 0.000 0.219 501 A C 1.343 178.854 177.584 -0.121 0.000 1.169 501 A CA 1.587 53.528 52.037 -0.159 0.000 0.635 501 A CB -0.603 18.281 19.000 -0.193 0.000 0.810 501 A HN 1.060 nan 8.150 nan 0.000 0.446 502 K N 0.000 120.322 120.400 -0.129 0.000 2.780 502 K HA 0.000 4.321 4.320 0.001 0.000 0.191 502 K CA 0.000 nan 56.287 nan 0.000 0.838 502 K CB 0.000 nan 32.500 nan 0.000 1.064 502 K HN 0.000 nan 8.250 nan 0.000 0.543