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 2p0i_1_E DATA FIRST_RESID 1 DATA SEQUENCE LSSVKDFPKI KAIRSFIIGX XXXXXXXXXX XXXHWLIDSD ISTPASKWEQ DATA SEQUENCE YKKSRTSWGI NVLGSFLVEI EATDGTVGFA TGFGGPPACW LVHQHFERFL DATA SEQUENCE IGADPRNTNL LFEQXYRASX FYGRKGLPIA VISVIDLALW DLLGKVRNEP DATA SEQUENCE VYRLIGGATK ERLDFYCTGP EPTAAKAXGF WGGKVPLPFC PDDGHEGLRK DATA SEQUENCE NVEFLRKHRE AVGPDFPIXV DCYXSLNVSY TIELVKACLD LNINWWEECL DATA SEQUENCE SPDDTDGFAL IKRAHPTVKF TTGEHEYSRY GFRKLVEGRN LDIIQPDVXW DATA SEQUENCE LGGLTELLKV AALAAAYDVP VVPHASGPYS YHFQISQPNT PFQEYLANSP DATA SEQUENCE DGKSVLPVFG DLFIDEPIPT KGYLTTADLD KPGFGLTINP AARAKLIPSD DATA SEQUENCE YLFKVPE 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.878 176.870 0.013 0.000 1.165 1 L CA 0.000 54.847 54.840 0.011 0.000 0.813 1 L CB 0.000 42.064 42.059 0.008 0.000 0.961 2 S N -2.306 113.400 115.700 0.010 0.000 2.557 2 S HA 0.142 4.612 4.470 -0.000 0.000 0.223 2 S C 0.584 175.190 174.600 0.009 0.000 0.969 2 S CA 0.438 58.644 58.200 0.010 0.000 0.927 2 S CB -0.013 63.191 63.200 0.007 0.000 0.806 2 S HN 0.500 nan 8.310 nan 0.000 0.489 3 S N 1.003 116.708 115.700 0.009 0.000 2.512 3 S HA 0.381 4.851 4.470 -0.000 0.000 0.216 3 S C 0.591 175.197 174.600 0.010 0.000 1.006 3 S CA 0.083 58.288 58.200 0.008 0.000 0.915 3 S CB 0.250 63.453 63.200 0.005 0.000 0.824 3 S HN 0.641 nan 8.310 nan 0.000 0.497 4 V N -1.138 118.784 119.914 0.015 0.000 3.158 4 V HA 0.555 4.674 4.120 -0.000 0.000 0.311 4 V C -0.473 175.642 176.094 0.035 0.000 1.181 4 V CA -1.686 60.627 62.300 0.020 0.000 1.054 4 V CB 1.422 33.253 31.823 0.014 0.000 1.085 4 V HN 0.011 nan 8.190 nan 0.000 0.446 5 K N 0.911 121.343 120.400 0.054 0.000 2.484 5 K HA 0.021 4.341 4.320 -0.000 0.000 0.280 5 K C -0.508 176.155 176.600 0.105 0.000 1.013 5 K CA 0.237 56.577 56.287 0.088 0.000 1.029 5 K CB 0.162 32.752 32.500 0.151 0.000 0.902 5 K HN 0.913 nan 8.250 nan 0.000 0.481 6 D N 4.425 124.872 120.400 0.079 0.000 2.393 6 D HA 0.085 4.724 4.640 -0.000 0.000 0.232 6 D C -1.265 175.090 176.300 0.091 0.000 1.192 6 D CA -0.217 53.828 54.000 0.075 0.000 0.882 6 D CB -0.131 40.688 40.800 0.032 0.000 1.038 6 D HN 0.237 nan 8.370 nan 0.000 0.499 7 F N 5.070 125.008 119.950 -0.019 0.000 2.404 7 F HA 0.388 4.915 4.527 -0.001 0.000 0.345 7 F C -1.722 174.065 175.800 -0.021 0.000 1.110 7 F CA -2.174 55.811 58.000 -0.024 0.000 1.130 7 F CB 1.126 40.106 39.000 -0.034 0.000 1.129 7 F HN 0.252 nan 8.300 nan 0.000 0.500 8 P HA 0.015 nan 4.420 nan 0.000 0.267 8 P C -0.951 176.373 177.300 0.040 0.000 1.205 8 P CA -0.062 62.975 63.100 -0.105 0.000 0.765 8 P CB 0.626 32.198 31.700 -0.213 0.000 0.828 9 K N 2.661 123.091 120.400 0.049 0.000 2.102 9 K HA 0.354 4.674 4.320 -0.000 0.000 0.244 9 K C 0.602 177.230 176.600 0.045 0.000 1.021 9 K CA -0.950 55.377 56.287 0.066 0.000 0.913 9 K CB 0.649 33.178 32.500 0.049 0.000 1.062 9 K HN 0.435 nan 8.250 nan 0.000 0.485 10 I N 2.201 122.801 120.570 0.050 0.000 2.517 10 I HA -0.051 4.119 4.170 -0.000 0.000 0.285 10 I C 1.759 177.898 176.117 0.036 0.000 1.106 10 I CA 0.339 61.666 61.300 0.044 0.000 1.402 10 I CB 0.529 38.558 38.000 0.049 0.000 1.399 10 I HN 0.574 nan 8.210 nan 0.000 0.535 11 K N 5.536 125.956 120.400 0.034 0.000 2.029 11 K HA 0.262 4.582 4.320 -0.000 0.000 0.205 11 K C 0.456 177.076 176.600 0.034 0.000 1.042 11 K CA 0.768 57.072 56.287 0.030 0.000 0.949 11 K CB 0.302 32.818 32.500 0.027 0.000 0.740 11 K HN 0.743 nan 8.250 nan 0.000 0.442 12 A N 0.627 123.476 122.820 0.048 0.000 2.539 12 A HA 0.586 4.905 4.320 -0.000 0.000 0.296 12 A C -1.669 175.960 177.584 0.076 0.000 1.073 12 A CA -0.745 51.325 52.037 0.055 0.000 0.700 12 A CB 1.247 20.281 19.000 0.056 0.000 1.296 12 A HN 0.316 nan 8.150 nan 0.000 0.405 13 I N 0.627 121.246 120.570 0.083 0.000 2.498 13 I HA 0.667 4.837 4.170 -0.000 0.000 0.290 13 I C -0.548 175.657 176.117 0.147 0.000 1.032 13 I CA -0.558 60.803 61.300 0.102 0.000 1.073 13 I CB 1.350 39.389 38.000 0.064 0.000 1.251 13 I HN 0.755 nan 8.210 nan 0.000 0.426 14 R N 4.640 125.220 120.500 0.134 0.000 2.670 14 R HA 0.624 4.963 4.340 -0.000 0.000 0.289 14 R C -1.054 175.224 176.300 -0.036 0.000 0.965 14 R CA -0.746 55.378 56.100 0.040 0.000 0.899 14 R CB 2.225 32.515 30.300 -0.016 0.000 1.173 14 R HN 0.725 nan 8.270 nan 0.000 0.456 15 S N 1.628 117.257 115.700 -0.119 0.000 2.536 15 S HA 0.740 5.210 4.470 -0.000 0.000 0.298 15 S C -0.902 173.455 174.600 -0.406 0.000 1.083 15 S CA -0.745 57.429 58.200 -0.043 0.000 0.995 15 S CB 1.171 64.554 63.200 0.306 0.000 1.058 15 S HN 0.372 nan 8.310 nan 0.000 0.488 16 F N 0.660 120.787 119.950 0.295 0.000 2.569 16 F HA 0.550 5.077 4.527 -0.001 0.000 0.312 16 F C -0.464 175.495 175.800 0.266 0.000 1.109 16 F CA -1.015 57.124 58.000 0.231 0.000 0.919 16 F CB 1.362 40.444 39.000 0.138 0.000 1.211 16 F HN 0.456 nan 8.300 nan 0.000 0.446 17 I N 3.702 124.522 120.570 0.417 0.000 2.474 17 I HA 0.224 4.394 4.170 -0.000 0.000 0.287 17 I C -0.101 176.176 176.117 0.267 0.000 1.048 17 I CA -0.008 61.498 61.300 0.344 0.000 1.383 17 I CB 0.633 38.820 38.000 0.312 0.000 1.412 17 I HN 0.374 nan 8.210 nan 0.000 0.531 18 I N 5.626 126.326 120.570 0.218 0.000 2.337 18 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 18 I C 1.063 177.249 176.117 0.115 0.000 1.046 18 I CA -0.081 61.297 61.300 0.129 0.000 1.324 18 I CB 0.503 38.555 38.000 0.087 0.000 1.409 18 I HN 0.699 nan 8.210 nan 0.000 0.494 35 W N 2.571 124.006 121.300 0.226 0.000 2.704 35 W HA 0.385 5.045 4.660 -0.001 0.000 0.266 35 W C 0.920 177.428 176.519 -0.018 0.000 1.266 35 W CA -0.067 57.335 57.345 0.094 0.000 1.377 35 W CB -0.477 29.056 29.460 0.120 0.000 1.082 35 W HN 0.034 nan 8.180 nan 0.000 0.608 36 L N 1.760 122.396 121.223 -0.979 0.000 2.217 36 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 36 L C 2.462 179.002 176.870 -0.550 0.000 1.107 36 L CA 1.597 55.789 54.840 -1.080 0.000 0.783 36 L CB -0.194 41.084 42.059 -1.301 0.000 0.919 36 L HN 0.041 nan 8.230 nan 0.000 0.442 37 I N -6.461 113.854 120.570 -0.424 0.000 4.323 37 I HA 0.194 4.364 4.170 -0.000 0.000 0.328 37 I C 0.719 176.755 176.117 -0.136 0.000 1.310 37 I CA 0.184 61.317 61.300 -0.279 0.000 1.186 37 I CB 0.304 38.128 38.000 -0.294 0.000 1.130 37 I HN -0.090 nan 8.210 nan 0.000 0.411 38 D N 1.259 121.613 120.400 -0.076 0.000 2.498 38 D HA 0.156 4.796 4.640 -0.000 0.000 0.223 38 D C 1.073 177.408 176.300 0.058 0.000 1.125 38 D CA 0.519 54.521 54.000 0.003 0.000 0.835 38 D CB 0.937 41.748 40.800 0.019 0.000 1.086 38 D HN 0.439 nan 8.370 nan 0.000 0.510 39 S N 0.115 115.872 115.700 0.096 0.000 2.707 39 S HA 0.248 4.718 4.470 -0.000 0.000 0.276 39 S C 0.005 174.643 174.600 0.064 0.000 1.179 39 S CA -0.688 57.588 58.200 0.128 0.000 0.992 39 S CB 1.698 65.042 63.200 0.240 0.000 1.030 39 S HN -0.212 nan 8.310 nan 0.000 0.554 40 D N 1.132 121.538 120.400 0.009 0.000 2.348 40 D HA 0.371 5.010 4.640 -0.000 0.000 0.259 40 D C -0.631 175.550 176.300 -0.199 0.000 1.296 40 D CA 0.508 54.416 54.000 -0.155 0.000 0.931 40 D CB -0.210 40.391 40.800 -0.331 0.000 1.067 40 D HN 0.447 nan 8.370 nan 0.000 0.503 41 I N 0.933 121.429 120.570 -0.124 0.000 2.499 41 I HA 0.058 4.228 4.170 -0.000 0.000 0.288 41 I C 0.319 176.400 176.117 -0.059 0.000 1.048 41 I CA -0.741 60.510 61.300 -0.081 0.000 1.062 41 I CB 2.153 40.159 38.000 0.010 0.000 1.238 41 I HN 0.038 nan 8.210 nan 0.000 0.426 42 S N 4.098 119.759 115.700 -0.066 0.000 2.510 42 S HA 0.439 4.909 4.470 -0.000 0.000 0.279 42 S C -0.003 174.640 174.600 0.071 0.000 1.284 42 S CA -0.217 57.973 58.200 -0.017 0.000 1.059 42 S CB 0.047 63.234 63.200 -0.021 0.000 0.901 42 S HN 0.734 nan 8.310 nan 0.000 0.491 43 T N 3.032 117.602 114.554 0.027 0.000 2.907 43 T HA 0.585 4.934 4.350 -0.000 0.000 0.290 43 T C -2.363 172.222 174.700 -0.191 0.000 1.066 43 T CA -1.864 60.254 62.100 0.029 0.000 1.012 43 T CB 1.219 70.061 68.868 -0.043 0.000 1.184 43 T HN 0.246 nan 8.240 nan 0.000 0.522 44 P HA 0.065 nan 4.420 nan 0.000 0.219 44 P C 1.125 178.174 177.300 -0.420 0.000 1.146 44 P CA 1.060 63.952 63.100 -0.347 0.000 0.808 44 P CB -0.183 31.313 31.700 -0.341 0.000 0.779 45 A N -1.220 121.281 122.820 -0.533 0.000 2.275 45 A HA 0.107 4.426 4.320 -0.000 0.000 0.212 45 A C 1.858 179.331 177.584 -0.186 0.000 1.201 45 A CA 0.392 52.227 52.037 -0.336 0.000 0.843 45 A CB -0.854 17.807 19.000 -0.566 0.000 0.873 45 A HN 0.042 nan 8.150 nan 0.000 0.492 46 S N 0.173 115.720 115.700 -0.254 0.000 2.607 46 S HA -0.036 4.433 4.470 -0.000 0.000 0.224 46 S C 1.591 176.041 174.600 -0.249 0.000 0.969 46 S CA 0.596 58.718 58.200 -0.130 0.000 0.927 46 S CB -0.104 63.044 63.200 -0.087 0.000 0.772 46 S HN 0.636 nan 8.310 nan 0.000 0.533 47 K N 0.435 120.481 120.400 -0.591 0.000 2.152 47 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 47 K C 0.085 176.258 176.600 -0.712 0.000 1.048 47 K CA 0.780 56.524 56.287 -0.905 0.000 0.933 47 K CB 0.083 31.527 32.500 -1.760 0.000 0.721 47 K HN 0.396 nan 8.250 nan 0.000 0.447 48 W N 0.412 121.747 121.300 0.059 0.000 2.666 48 W HA 0.155 4.814 4.660 -0.001 0.000 0.334 48 W C 1.037 177.608 176.519 0.086 0.000 1.051 48 W CA -0.990 56.410 57.345 0.092 0.000 1.224 48 W CB 1.326 30.887 29.460 0.169 0.000 1.405 48 W HN -0.030 nan 8.180 nan 0.000 0.513 49 E N 1.579 121.918 120.200 0.231 0.000 2.077 49 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 49 E C 2.120 178.756 176.600 0.060 0.000 0.989 49 E CA 1.851 58.319 56.400 0.112 0.000 0.800 49 E CB 0.158 29.902 29.700 0.073 0.000 0.746 49 E HN 0.375 nan 8.360 nan 0.000 0.452 50 Q N -0.698 119.078 119.800 -0.039 0.000 2.444 50 Q HA -0.107 4.233 4.340 -0.000 0.000 0.206 50 Q C 0.093 175.856 176.000 -0.395 0.000 0.948 50 Q CA 0.667 56.319 55.803 -0.252 0.000 0.946 50 Q CB -0.034 28.466 28.738 -0.397 0.000 1.027 50 Q HN 0.438 nan 8.270 nan 0.000 0.513 51 Y N -0.102 120.333 120.300 0.226 0.000 2.706 51 Y HA 0.374 4.924 4.550 -0.000 0.000 0.255 51 Y C 1.566 177.632 175.900 0.277 0.000 1.163 51 Y CA -0.668 57.613 58.100 0.301 0.000 1.174 51 Y CB 0.734 39.424 38.460 0.384 0.000 1.200 51 Y HN 0.005 nan 8.280 nan 0.000 0.544 52 K N 0.333 120.893 120.400 0.266 0.000 2.141 52 K HA 0.022 4.342 4.320 -0.000 0.000 0.202 52 K C 1.934 178.636 176.600 0.170 0.000 1.045 52 K CA 0.506 56.908 56.287 0.192 0.000 0.971 52 K CB 0.350 32.931 32.500 0.135 0.000 0.795 52 K HN -0.018 nan 8.250 nan 0.000 0.459 53 K N 0.441 120.925 120.400 0.141 0.000 2.228 53 K HA 0.029 4.349 4.320 -0.000 0.000 0.202 53 K C 0.375 177.032 176.600 0.095 0.000 1.051 53 K CA 0.363 56.712 56.287 0.104 0.000 0.960 53 K CB 0.393 32.940 32.500 0.078 0.000 0.743 53 K HN -0.007 nan 8.250 nan 0.000 0.458 54 S N -0.315 115.460 115.700 0.124 0.000 2.561 54 S HA 0.340 4.810 4.470 -0.000 0.000 0.303 54 S C 0.392 175.039 174.600 0.078 0.000 1.110 54 S CA -0.671 57.569 58.200 0.068 0.000 1.034 54 S CB 1.764 64.984 63.200 0.033 0.000 1.010 54 S HN 0.080 nan 8.310 nan 0.000 0.482 55 R N 1.395 121.863 120.500 -0.054 0.000 2.115 55 R HA -0.018 4.322 4.340 -0.000 0.000 0.226 55 R C 2.067 177.898 176.300 -0.783 0.000 1.100 55 R CA 1.911 57.840 56.100 -0.285 0.000 0.980 55 R CB -0.306 29.859 30.300 -0.224 0.000 0.875 55 R HN 0.850 nan 8.270 nan 0.000 0.445 56 T N -1.764 112.527 114.554 -0.437 0.000 2.962 56 T HA -0.115 4.234 4.350 -0.000 0.000 0.270 56 T C 1.893 176.431 174.700 -0.270 0.000 1.088 56 T CA 1.141 63.013 62.100 -0.380 0.000 1.127 56 T CB -0.167 68.569 68.868 -0.219 0.000 0.883 56 T HN 0.242 nan 8.240 nan 0.000 0.493 57 S N 1.542 117.163 115.700 -0.132 0.000 2.383 57 S HA -0.092 4.378 4.470 -0.000 0.000 0.227 57 S C 2.029 176.807 174.600 0.298 0.000 1.026 57 S CA 0.779 59.063 58.200 0.140 0.000 0.981 57 S CB -1.014 62.348 63.200 0.271 0.000 0.818 57 S HN 0.907 nan 8.310 nan 0.000 0.472 58 W N 1.057 122.458 121.300 0.167 0.000 3.077 58 W HA 0.494 5.154 4.660 -0.001 0.000 0.266 58 W C 0.801 177.289 176.519 -0.052 0.000 1.300 58 W CA -0.048 57.250 57.345 -0.078 0.000 1.586 58 W CB -0.777 28.608 29.460 -0.125 0.000 1.103 58 W HN 0.604 nan 8.180 nan 0.000 0.652 59 G N 2.477 111.020 108.800 -0.429 0.000 2.580 59 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.204 59 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.204 59 G C 0.222 174.862 174.900 -0.434 0.000 1.107 59 G CA -0.030 44.885 45.100 -0.307 0.000 0.881 59 G HN 0.336 nan 8.290 nan 0.000 0.497 60 I N 0.303 120.331 120.570 -0.904 0.000 2.361 60 I HA -0.127 4.043 4.170 -0.000 0.000 0.251 60 I C 2.087 177.981 176.117 -0.371 0.000 1.133 60 I CA 1.769 62.676 61.300 -0.655 0.000 1.413 60 I CB 0.094 37.617 38.000 -0.796 0.000 1.073 60 I HN 0.488 nan 8.210 nan 0.000 0.424 61 N N 0.143 118.646 118.700 -0.329 0.000 2.314 61 N HA -0.063 4.676 4.740 -0.000 0.000 0.200 61 N C 1.360 176.805 175.510 -0.109 0.000 1.135 61 N CA 0.295 53.215 53.050 -0.218 0.000 0.835 61 N CB -0.127 38.248 38.487 -0.186 0.000 0.989 61 N HN 0.277 nan 8.380 nan 0.000 0.478 62 V N 0.682 120.541 119.914 -0.091 0.000 2.515 62 V HA -0.040 4.080 4.120 -0.000 0.000 0.250 62 V C 2.055 178.169 176.094 0.034 0.000 1.058 62 V CA 1.164 63.450 62.300 -0.024 0.000 1.064 62 V CB -0.192 31.623 31.823 -0.012 0.000 0.675 62 V HN 0.272 nan 8.190 nan 0.000 0.461 63 L N -0.396 120.867 121.223 0.068 0.000 2.127 63 L HA 0.377 4.717 4.340 -0.000 0.000 0.203 63 L C 1.448 178.434 176.870 0.192 0.000 1.080 63 L CA 0.873 55.799 54.840 0.143 0.000 0.768 63 L CB -0.897 41.301 42.059 0.231 0.000 0.924 63 L HN 0.523 nan 8.230 nan 0.000 0.444 64 G N -0.228 108.704 108.800 0.220 0.000 2.741 64 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.222 64 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.222 64 G C -0.420 174.790 174.900 0.517 0.000 1.364 64 G CA -0.372 44.916 45.100 0.314 0.000 0.866 64 G HN 0.189 nan 8.290 nan 0.000 0.555 65 S N -0.534 115.432 115.700 0.443 0.000 2.638 65 S HA 0.891 5.361 4.470 -0.000 0.000 0.298 65 S C -0.217 174.664 174.600 0.468 0.000 1.111 65 S CA 0.236 58.687 58.200 0.420 0.000 1.027 65 S CB 1.379 64.700 63.200 0.202 0.000 1.064 65 S HN 1.388 nan 8.310 nan 0.000 0.525 66 F N 0.114 120.170 119.950 0.177 0.000 2.692 66 F HA 0.884 5.411 4.527 -0.000 0.000 0.320 66 F C -1.697 174.197 175.800 0.156 0.000 1.123 66 F CA -1.405 56.703 58.000 0.179 0.000 0.961 66 F CB 1.123 40.244 39.000 0.201 0.000 1.383 66 F HN 0.480 nan 8.300 nan 0.000 0.483 67 L N 2.214 123.469 121.223 0.052 0.000 2.431 67 L HA 0.772 5.112 4.340 -0.000 0.000 0.266 67 L C -1.822 175.136 176.870 0.146 0.000 0.978 67 L CA -0.739 54.090 54.840 -0.018 0.000 0.822 67 L CB 2.173 44.301 42.059 0.114 0.000 1.310 67 L HN 0.690 nan 8.230 nan 0.000 0.409 68 V N 3.913 123.869 119.914 0.069 0.000 2.417 68 V HA 0.461 4.581 4.120 -0.000 0.000 0.291 68 V C -0.483 175.769 176.094 0.264 0.000 1.024 68 V CA -0.538 61.870 62.300 0.179 0.000 0.861 68 V CB 1.824 33.722 31.823 0.126 0.000 0.985 68 V HN 0.736 nan 8.190 nan 0.000 0.436 69 E N 4.743 125.125 120.200 0.303 0.000 2.166 69 E HA 0.569 4.918 4.350 -0.000 0.000 0.275 69 E C -1.122 175.614 176.600 0.227 0.000 0.941 69 E CA -0.495 56.101 56.400 0.328 0.000 0.784 69 E CB 2.376 32.303 29.700 0.377 0.000 1.115 69 E HN 0.521 nan 8.360 nan 0.000 0.399 70 I N 2.492 123.182 120.570 0.201 0.000 2.378 70 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 70 I C -0.122 176.071 176.117 0.127 0.000 0.992 70 I CA -0.454 60.929 61.300 0.138 0.000 1.154 70 I CB 1.592 39.654 38.000 0.103 0.000 1.315 70 I HN 0.464 nan 8.210 nan 0.000 0.448 71 E N 5.529 125.792 120.200 0.105 0.000 2.158 71 E HA 0.683 5.032 4.350 -0.000 0.000 0.271 71 E C -0.894 175.739 176.600 0.055 0.000 0.911 71 E CA -0.598 55.854 56.400 0.086 0.000 0.767 71 E CB 1.630 31.384 29.700 0.090 0.000 1.120 71 E HN 0.724 nan 8.360 nan 0.000 0.405 72 A N 2.413 125.253 122.820 0.034 0.000 2.252 72 A HA 0.275 4.594 4.320 -0.000 0.000 0.305 72 A C 1.080 178.664 177.584 -0.001 0.000 1.097 72 A CA 0.057 52.099 52.037 0.009 0.000 0.849 72 A CB 0.629 19.613 19.000 -0.028 0.000 1.142 72 A HN 0.825 nan 8.150 nan 0.000 0.499 73 T N -1.797 112.751 114.554 -0.011 0.000 3.055 73 T HA -0.084 4.265 4.350 -0.000 0.000 0.265 73 T C 0.740 175.426 174.700 -0.022 0.000 1.111 73 T CA 1.292 63.386 62.100 -0.009 0.000 1.118 73 T CB -0.284 68.580 68.868 -0.006 0.000 0.909 73 T HN 0.730 nan 8.240 nan 0.000 0.501 74 D N 1.029 121.401 120.400 -0.046 0.000 2.340 74 D HA 0.173 4.813 4.640 -0.000 0.000 0.220 74 D C 1.641 177.922 176.300 -0.031 0.000 1.039 74 D CA 0.596 54.565 54.000 -0.052 0.000 0.866 74 D CB -0.618 40.125 40.800 -0.095 0.000 0.913 74 D HN 0.569 nan 8.370 nan 0.000 0.523 75 G N 0.053 108.845 108.800 -0.013 0.000 2.176 75 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 75 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 75 G C 0.405 175.316 174.900 0.018 0.000 0.979 75 G CA 0.328 45.432 45.100 0.008 0.000 0.641 75 G HN 0.453 nan 8.290 nan 0.000 0.530 76 T N 1.084 115.637 114.554 -0.001 0.000 2.870 76 T HA 0.473 4.823 4.350 -0.000 0.000 0.300 76 T C 0.353 175.080 174.700 0.045 0.000 0.989 76 T CA 0.204 62.309 62.100 0.009 0.000 1.139 76 T CB 2.317 71.165 68.868 -0.034 0.000 0.920 76 T HN 0.626 nan 8.240 nan 0.000 0.537 77 V N 2.723 122.689 119.914 0.087 0.000 2.448 77 V HA 0.703 4.823 4.120 -0.000 0.000 0.295 77 V C 0.707 176.891 176.094 0.149 0.000 1.025 77 V CA -0.910 61.477 62.300 0.146 0.000 0.859 77 V CB 1.649 33.598 31.823 0.210 0.000 0.988 77 V HN 1.041 nan 8.190 nan 0.000 0.431 78 G N 3.597 112.469 108.800 0.121 0.000 2.400 78 G HA2 0.825 4.784 3.960 -0.000 0.000 0.333 78 G HA3 0.825 4.784 3.960 -0.000 0.000 0.333 78 G C -1.166 173.837 174.900 0.171 0.000 1.143 78 G CA -0.463 44.660 45.100 0.039 0.000 0.914 78 G HN 0.747 nan 8.290 nan 0.000 0.480 79 F N -0.735 119.300 119.950 0.142 0.000 2.645 79 F HA 0.902 5.429 4.527 -0.000 0.000 0.310 79 F C -0.315 175.567 175.800 0.137 0.000 1.102 79 F CA -1.702 56.382 58.000 0.140 0.000 0.952 79 F CB 1.569 40.665 39.000 0.161 0.000 1.326 79 F HN 0.821 nan 8.300 nan 0.000 0.456 80 A N 0.614 123.614 122.820 0.300 0.000 2.587 80 A HA 0.799 5.119 4.320 -0.000 0.000 0.293 80 A C -1.301 176.280 177.584 -0.006 0.000 1.087 80 A CA -0.544 51.550 52.037 0.095 0.000 0.692 80 A CB 1.646 20.519 19.000 -0.213 0.000 1.291 80 A HN 1.161 nan 8.150 nan 0.000 0.407 81 T N -0.606 113.875 114.554 -0.121 0.000 2.893 81 T HA 0.778 5.128 4.350 -0.000 0.000 0.291 81 T C -0.057 174.441 174.700 -0.336 0.000 1.028 81 T CA 0.338 62.277 62.100 -0.268 0.000 0.995 81 T CB 1.468 70.210 68.868 -0.210 0.000 1.051 81 T HN 2.003 nan 8.240 nan 0.000 0.470 82 G N 2.092 110.677 108.800 -0.358 0.000 2.645 82 G HA2 0.608 4.568 3.960 -0.000 0.000 0.292 82 G HA3 0.608 4.568 3.960 -0.000 0.000 0.292 82 G C -1.533 173.450 174.900 0.139 0.000 1.415 82 G CA -0.807 44.246 45.100 -0.077 0.000 0.785 82 G HN 0.581 nan 8.290 nan 0.000 0.483 83 F N 0.196 120.423 119.950 0.461 0.000 2.459 83 F HA 0.507 5.034 4.527 -0.000 0.000 0.346 83 F C 1.543 177.783 175.800 0.732 0.000 1.128 83 F CA 1.549 59.868 58.000 0.531 0.000 1.268 83 F CB 1.626 40.858 39.000 0.387 0.000 1.161 83 F HN 0.921 nan 8.300 nan 0.000 0.583 84 G N -0.091 109.164 108.800 0.758 0.000 3.967 84 G HA2 0.343 4.302 3.960 -0.000 0.000 0.210 84 G HA3 0.343 4.302 3.960 -0.000 0.000 0.210 84 G C 0.589 175.579 174.900 0.150 0.000 1.127 84 G CA 0.255 45.586 45.100 0.385 0.000 0.887 84 G HN 1.528 nan 8.290 nan 0.000 0.367 85 G N 1.267 110.196 108.800 0.216 0.000 2.528 85 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.262 85 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.262 85 G C -0.753 174.159 174.900 0.020 0.000 1.200 85 G CA 1.050 46.265 45.100 0.191 0.000 0.951 85 G HN 0.765 nan 8.290 nan 0.000 0.566 86 P HA -0.011 nan 4.420 nan 0.000 0.214 86 P C -0.904 176.369 177.300 -0.045 0.000 1.163 86 P CA 3.202 66.305 63.100 0.004 0.000 0.889 86 P CB -0.652 31.066 31.700 0.030 0.000 0.790 87 P HA -0.063 nan 4.420 nan 0.000 0.223 87 P C 1.296 178.595 177.300 -0.001 0.000 1.151 87 P CA 1.512 64.583 63.100 -0.048 0.000 0.787 87 P CB -0.402 31.248 31.700 -0.084 0.000 0.788 88 A N 0.267 122.996 122.820 -0.153 0.000 1.858 88 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 88 A C 2.541 179.966 177.584 -0.264 0.000 1.190 88 A CA 1.883 53.710 52.037 -0.351 0.000 0.617 88 A CB -1.750 16.648 19.000 -1.003 0.000 0.827 88 A HN 0.234 nan 8.150 nan 0.000 0.443 89 C N -2.906 116.244 119.300 -0.249 0.000 2.413 89 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 89 C C 2.322 177.495 174.990 0.305 0.000 1.265 89 C CA 0.677 59.744 59.018 0.082 0.000 1.752 89 C CB -1.724 26.098 27.740 0.137 0.000 1.998 89 C HN 0.829 nan 8.230 nan 0.000 0.489 90 W N 1.104 122.425 121.300 0.034 0.000 2.335 90 W HA -0.127 4.533 4.660 -0.000 0.000 0.311 90 W C 2.202 178.854 176.519 0.221 0.000 1.213 90 W CA 1.393 58.809 57.345 0.118 0.000 1.274 90 W CB -0.391 29.000 29.460 -0.115 0.000 1.148 90 W HN 0.205 nan 8.180 nan 0.000 0.498 91 L N -0.455 120.993 121.223 0.375 0.000 2.141 91 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 91 L C 2.232 179.116 176.870 0.024 0.000 1.094 91 L CA 0.862 55.816 54.840 0.189 0.000 0.763 91 L CB -1.151 41.065 42.059 0.262 0.000 0.908 91 L HN -0.142 nan 8.230 nan 0.000 0.437 92 V N -0.505 119.479 119.914 0.116 0.000 2.282 92 V HA -0.346 3.774 4.120 -0.000 0.000 0.249 92 V C 2.408 178.382 176.094 -0.199 0.000 1.057 92 V CA 1.911 64.234 62.300 0.037 0.000 1.032 92 V CB -0.745 31.000 31.823 -0.129 0.000 0.645 92 V HN 0.509 nan 8.190 nan 0.000 0.447 93 H N -1.188 117.834 119.070 -0.080 0.000 2.451 93 H HA 0.067 4.623 4.556 -0.000 0.000 0.294 93 H C 2.431 177.522 175.328 -0.395 0.000 1.028 93 H CA 0.925 56.804 56.048 -0.283 0.000 1.349 93 H CB 0.101 29.537 29.762 -0.544 0.000 1.444 93 H HN 0.429 nan 8.280 nan 0.000 0.538 94 Q N 0.023 119.596 119.800 -0.379 0.000 2.083 94 Q HA -0.087 4.253 4.340 -0.000 0.000 0.198 94 Q C 1.842 177.665 176.000 -0.294 0.000 0.969 94 Q CA 1.205 56.703 55.803 -0.509 0.000 0.838 94 Q CB 0.111 28.230 28.738 -1.032 0.000 0.900 94 Q HN 0.670 nan 8.270 nan 0.000 0.436 95 H N -1.875 116.949 119.070 -0.410 0.000 2.368 95 H HA 0.059 4.614 4.556 -0.000 0.000 0.311 95 H C 1.201 176.355 175.328 -0.291 0.000 1.042 95 H CA 0.227 56.011 56.048 -0.441 0.000 1.377 95 H CB 0.580 29.896 29.762 -0.742 0.000 1.473 95 H HN 0.071 nan 8.280 nan 0.000 0.593 96 F N 1.034 121.052 119.950 0.114 0.000 2.619 96 F HA 0.075 4.602 4.527 -0.000 0.000 0.293 96 F C 2.331 178.176 175.800 0.074 0.000 1.119 96 F CA 0.556 58.647 58.000 0.152 0.000 1.445 96 F CB -0.319 38.746 39.000 0.108 0.000 1.119 96 F HN 0.272 nan 8.300 nan 0.000 0.573 97 E N 1.726 121.978 120.200 0.088 0.000 2.160 97 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 97 E C 2.362 178.929 176.600 -0.055 0.000 0.991 97 E CA 1.600 58.004 56.400 0.006 0.000 0.810 97 E CB -0.105 29.570 29.700 -0.043 0.000 0.742 97 E HN 0.483 nan 8.360 nan 0.000 0.466 98 R N -0.382 119.994 120.500 -0.207 0.000 2.152 98 R HA -0.145 4.194 4.340 -0.000 0.000 0.232 98 R C 1.515 177.622 176.300 -0.323 0.000 1.117 98 R CA 1.622 57.517 56.100 -0.341 0.000 0.981 98 R CB -0.528 29.461 30.300 -0.519 0.000 0.870 98 R HN 0.192 nan 8.270 nan 0.000 0.451 99 F N 0.837 120.814 119.950 0.045 0.000 2.569 99 F HA 0.206 4.733 4.527 -0.000 0.000 0.295 99 F C 1.873 177.690 175.800 0.028 0.000 1.115 99 F CA 0.420 58.443 58.000 0.038 0.000 1.450 99 F CB 0.031 39.059 39.000 0.046 0.000 1.107 99 F HN -0.103 nan 8.300 nan 0.000 0.563 100 L N -0.781 120.545 121.223 0.172 0.000 2.316 100 L HA 0.130 4.470 4.340 -0.000 0.000 0.207 100 L C 0.620 177.533 176.870 0.070 0.000 1.070 100 L CA -0.010 54.901 54.840 0.119 0.000 0.820 100 L CB -0.107 42.018 42.059 0.110 0.000 0.992 100 L HN -0.167 nan 8.230 nan 0.000 0.466 101 I N 1.767 122.364 120.570 0.045 0.000 2.587 101 I HA 0.120 4.289 4.170 -0.000 0.000 0.284 101 I C 1.391 177.524 176.117 0.027 0.000 1.134 101 I CA 1.065 62.382 61.300 0.028 0.000 1.410 101 I CB -0.202 37.802 38.000 0.007 0.000 1.392 101 I HN 0.458 nan 8.210 nan 0.000 0.545 102 G N 4.853 113.671 108.800 0.029 0.000 2.234 102 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.235 102 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.235 102 G C 0.460 175.382 174.900 0.037 0.000 0.997 102 G CA 0.059 45.176 45.100 0.029 0.000 0.623 102 G HN 0.968 nan 8.290 nan 0.000 0.514 103 A N 0.194 123.041 122.820 0.045 0.000 2.322 103 A HA 0.561 4.881 4.320 -0.000 0.000 0.269 103 A C 0.155 177.765 177.584 0.043 0.000 1.094 103 A CA 0.235 52.298 52.037 0.044 0.000 0.807 103 A CB 0.485 19.517 19.000 0.054 0.000 1.047 103 A HN 0.287 nan 8.150 nan 0.000 0.487 104 D N 1.801 122.220 120.400 0.032 0.000 2.371 104 D HA 0.156 4.796 4.640 -0.000 0.000 0.256 104 D C -1.382 174.914 176.300 -0.007 0.000 1.193 104 D CA -1.380 52.639 54.000 0.031 0.000 0.881 104 D CB 1.179 41.973 40.800 -0.010 0.000 1.143 104 D HN 0.224 nan 8.370 nan 0.000 0.473 105 P HA -0.037 nan 4.420 nan 0.000 0.233 105 P C 0.944 178.128 177.300 -0.194 0.000 1.167 105 P CA 0.454 63.526 63.100 -0.047 0.000 0.770 105 P CB 0.394 32.115 31.700 0.035 0.000 0.837 106 R N -0.269 120.074 120.500 -0.263 0.000 2.237 106 R HA 0.020 4.360 4.340 -0.000 0.000 0.219 106 R C 0.705 176.842 176.300 -0.273 0.000 1.080 106 R CA 0.430 56.297 56.100 -0.387 0.000 0.995 106 R CB -0.634 29.344 30.300 -0.537 0.000 0.875 106 R HN 0.134 nan 8.270 nan 0.000 0.462 107 N N 0.991 119.584 118.700 -0.178 0.000 2.906 107 N HA -0.042 4.698 4.740 -0.000 0.000 0.282 107 N C 0.783 176.234 175.510 -0.099 0.000 1.293 107 N CA 0.391 53.374 53.050 -0.112 0.000 1.059 107 N CB 0.281 38.733 38.487 -0.058 0.000 1.388 107 N HN 0.260 nan 8.380 nan 0.000 0.533 108 T N -2.410 112.049 114.554 -0.158 0.000 2.759 108 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 108 T C 1.649 176.359 174.700 0.017 0.000 1.042 108 T CA 0.977 63.008 62.100 -0.115 0.000 1.140 108 T CB 0.036 68.776 68.868 -0.214 0.000 0.864 108 T HN 0.099 nan 8.240 nan 0.000 0.455 109 N N 1.322 120.029 118.700 0.012 0.000 2.120 109 N HA 0.015 4.754 4.740 -0.000 0.000 0.188 109 N C 1.746 177.296 175.510 0.067 0.000 1.024 109 N CA 0.896 53.974 53.050 0.048 0.000 0.852 109 N CB -0.703 37.797 38.487 0.022 0.000 1.003 109 N HN 0.303 nan 8.380 nan 0.000 0.424 110 L N 1.050 122.290 121.223 0.028 0.000 1.994 110 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 110 L C 1.966 178.839 176.870 0.006 0.000 1.071 110 L CA 1.403 56.254 54.840 0.019 0.000 0.745 110 L CB -0.676 41.388 42.059 0.007 0.000 0.892 110 L HN 0.122 nan 8.230 nan 0.000 0.431 111 L N -1.814 119.415 121.223 0.009 0.000 2.141 111 L HA -0.200 4.139 4.340 -0.000 0.000 0.209 111 L C 2.399 179.236 176.870 -0.054 0.000 1.094 111 L CA 1.226 56.052 54.840 -0.024 0.000 0.763 111 L CB -0.616 41.445 42.059 0.003 0.000 0.908 111 L HN 0.312 nan 8.230 nan 0.000 0.437 112 F N 1.019 120.916 119.950 -0.088 0.000 2.113 112 F HA -0.185 4.342 4.527 -0.000 0.000 0.297 112 F C 2.573 178.328 175.800 -0.075 0.000 1.103 112 F CA 1.504 59.453 58.000 -0.084 0.000 1.248 112 F CB 0.001 38.972 39.000 -0.047 0.000 0.999 112 F HN -0.020 nan 8.300 nan 0.000 0.475 113 E N 0.748 120.972 120.200 0.040 0.000 2.077 113 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 113 E C 1.166 177.673 176.600 -0.156 0.000 0.989 113 E CA 0.701 57.098 56.400 -0.006 0.000 0.800 113 E CB -0.670 29.081 29.700 0.084 0.000 0.746 113 E HN 0.590 nan 8.360 nan 0.000 0.452 117 R N 0.733 121.188 120.500 -0.076 0.000 2.153 117 R HA 0.155 4.495 4.340 -0.000 0.000 0.218 117 R C 2.054 178.350 176.300 -0.007 0.000 1.072 117 R CA 1.035 57.123 56.100 -0.019 0.000 0.990 117 R CB -0.119 30.214 30.300 0.056 0.000 0.889 117 R HN 0.363 nan 8.270 nan 0.000 0.452 118 A N 1.136 123.946 122.820 -0.016 0.000 2.014 118 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 118 A C 1.333 179.123 177.584 0.344 0.000 1.163 118 A CA 0.905 53.059 52.037 0.196 0.000 0.652 118 A CB -0.121 19.020 19.000 0.236 0.000 0.808 118 A HN 0.362 nan 8.150 nan 0.000 0.449 122 Y N 0.475 120.419 120.300 -0.594 0.000 2.672 122 Y HA 0.893 5.443 4.550 -0.000 0.000 0.252 122 Y C 0.954 176.666 175.900 -0.313 0.000 1.132 122 Y CA -0.420 57.435 58.100 -0.409 0.000 1.228 122 Y CB 0.082 38.239 38.460 -0.504 0.000 1.310 122 Y HN 0.161 nan 8.280 nan 0.000 0.549 123 G N 0.793 109.164 108.800 -0.716 0.000 3.345 123 G HA2 0.375 4.334 3.960 -0.000 0.000 0.202 123 G HA3 0.375 4.334 3.960 -0.000 0.000 0.202 123 G C 0.394 175.036 174.900 -0.430 0.000 1.740 123 G CA -0.101 44.614 45.100 -0.642 0.000 0.806 123 G HN 0.148 nan 8.290 nan 0.000 0.718 124 R N -1.298 118.904 120.500 -0.496 0.000 3.154 124 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 124 R C 0.120 176.377 176.300 -0.072 0.000 0.808 124 R CA 2.145 58.103 56.100 -0.237 0.000 1.801 124 R CB -1.293 28.943 30.300 -0.107 0.000 1.411 124 R HN 0.423 nan 8.270 nan 0.000 0.589 125 K N 0.067 120.303 120.400 -0.273 0.000 2.444 125 K HA 0.544 4.864 4.320 -0.000 0.000 0.252 125 K C 0.501 176.585 176.600 -0.861 0.000 0.993 125 K CA -0.085 55.839 56.287 -0.605 0.000 0.847 125 K CB 2.338 34.658 32.500 -0.301 0.000 1.340 125 K HN 0.295 nan 8.250 nan 0.000 0.446 126 G N 0.930 108.726 108.800 -1.673 0.000 2.514 126 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.265 126 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.265 126 G C 0.529 175.032 174.900 -0.662 0.000 1.150 126 G CA 0.327 44.892 45.100 -0.892 0.000 0.959 126 G HN 0.491 nan 8.290 nan 0.000 0.556 127 L N 2.836 123.839 121.223 -0.367 0.000 2.017 127 L HA 0.130 4.469 4.340 -0.000 0.000 0.208 127 L C 0.452 177.222 176.870 -0.166 0.000 1.073 127 L CA 3.420 58.105 54.840 -0.258 0.000 0.745 127 L CB -1.414 40.590 42.059 -0.091 0.000 0.894 127 L HN 0.445 nan 8.230 nan 0.000 0.432 128 P HA -0.105 nan 4.420 nan 0.000 0.221 128 P C 1.830 179.108 177.300 -0.036 0.000 1.150 128 P CA 1.088 64.210 63.100 0.037 0.000 0.800 128 P CB -0.057 31.592 31.700 -0.084 0.000 0.787 129 I N -0.330 120.141 120.570 -0.166 0.000 2.353 129 I HA -0.097 4.073 4.170 -0.000 0.000 0.248 129 I C 2.226 178.324 176.117 -0.033 0.000 1.119 129 I CA 1.045 62.291 61.300 -0.089 0.000 1.417 129 I CB -1.994 35.969 38.000 -0.061 0.000 1.078 129 I HN -0.091 nan 8.210 nan 0.000 0.421 130 A N 1.143 123.869 122.820 -0.157 0.000 1.940 130 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 130 A C 2.525 180.216 177.584 0.180 0.000 1.176 130 A CA 1.985 54.001 52.037 -0.036 0.000 0.631 130 A CB -0.937 17.865 19.000 -0.331 0.000 0.814 130 A HN 0.264 nan 8.150 nan 0.000 0.446 131 V N 0.204 120.209 119.914 0.150 0.000 2.358 131 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 131 V C 2.380 178.516 176.094 0.070 0.000 1.047 131 V CA 1.905 64.357 62.300 0.253 0.000 1.035 131 V CB -0.822 31.198 31.823 0.327 0.000 0.658 131 V HN 0.577 nan 8.190 nan 0.000 0.452 132 I N 0.470 120.957 120.570 -0.137 0.000 2.226 132 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 132 I C 2.591 178.709 176.117 0.001 0.000 1.100 132 I CA 1.651 62.804 61.300 -0.246 0.000 1.374 132 I CB -0.495 37.317 38.000 -0.313 0.000 1.057 132 I HN 0.264 nan 8.210 nan 0.000 0.413 133 S N 0.510 116.264 115.700 0.091 0.000 2.356 133 S HA -0.143 4.326 4.470 -0.000 0.000 0.223 133 S C 2.128 176.758 174.600 0.050 0.000 1.032 133 S CA 1.361 59.628 58.200 0.112 0.000 1.005 133 S CB -0.480 62.811 63.200 0.152 0.000 0.867 133 S HN 0.229 nan 8.310 nan 0.000 0.449 134 V N 2.188 122.137 119.914 0.058 0.000 2.295 134 V HA -0.167 3.952 4.120 -0.000 0.000 0.246 134 V C 2.119 178.209 176.094 -0.006 0.000 1.049 134 V CA 1.539 63.812 62.300 -0.045 0.000 1.024 134 V CB -0.748 31.025 31.823 -0.083 0.000 0.648 134 V HN 0.420 nan 8.190 nan 0.000 0.447 135 I N 0.479 121.085 120.570 0.060 0.000 2.163 135 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 135 I C 2.353 178.512 176.117 0.070 0.000 1.085 135 I CA 2.336 63.672 61.300 0.061 0.000 1.347 135 I CB -0.454 37.567 38.000 0.034 0.000 1.044 135 I HN 0.393 nan 8.210 nan 0.000 0.408 136 D N 0.794 121.248 120.400 0.091 0.000 2.144 136 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 136 D C 2.230 178.698 176.300 0.280 0.000 0.984 136 D CA 1.182 55.288 54.000 0.177 0.000 0.834 136 D CB -0.006 40.932 40.800 0.229 0.000 0.955 136 D HN 0.227 nan 8.370 nan 0.000 0.465 137 L N -0.049 121.273 121.223 0.165 0.000 2.093 137 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 137 L C 2.529 179.555 176.870 0.259 0.000 1.085 137 L CA 1.077 56.023 54.840 0.177 0.000 0.755 137 L CB -0.425 41.442 42.059 -0.319 0.000 0.904 137 L HN 0.091 nan 8.230 nan 0.000 0.435 138 A N -0.210 122.683 122.820 0.121 0.000 1.969 138 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 138 A C 2.258 179.906 177.584 0.108 0.000 1.169 138 A CA 1.123 53.234 52.037 0.123 0.000 0.635 138 A CB -0.528 18.540 19.000 0.112 0.000 0.810 138 A HN 0.339 nan 8.150 nan 0.000 0.445 139 L N -2.515 118.760 121.223 0.087 0.000 2.017 139 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 139 L C 2.582 179.404 176.870 -0.080 0.000 1.073 139 L CA 1.495 56.321 54.840 -0.023 0.000 0.745 139 L CB -0.473 41.524 42.059 -0.104 0.000 0.894 139 L HN 0.624 nan 8.230 nan 0.000 0.432 140 W N 0.327 121.639 121.300 0.020 0.000 2.402 140 W HA -0.210 4.450 4.660 -0.001 0.000 0.286 140 W C 2.342 178.730 176.519 -0.219 0.000 1.221 140 W CA 1.210 58.506 57.345 -0.080 0.000 1.257 140 W CB -0.250 29.180 29.460 -0.049 0.000 1.120 140 W HN 0.230 nan 8.180 nan 0.000 0.551 141 D N 0.066 120.517 120.400 0.086 0.000 2.097 141 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 141 D C 2.067 178.323 176.300 -0.074 0.000 0.989 141 D CA 1.331 55.297 54.000 -0.056 0.000 0.827 141 D CB -0.410 40.397 40.800 0.011 0.000 0.966 141 D HN -0.023 nan 8.370 nan 0.000 0.456 142 L N 0.324 121.532 121.223 -0.024 0.000 2.013 142 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 142 L C 2.185 179.054 176.870 -0.002 0.000 1.073 142 L CA 1.596 56.429 54.840 -0.011 0.000 0.753 142 L CB -0.656 41.413 42.059 0.016 0.000 0.890 142 L HN 0.188 nan 8.230 nan 0.000 0.432 143 L N -0.889 120.324 121.223 -0.016 0.000 2.046 143 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 143 L C 2.519 179.410 176.870 0.036 0.000 1.077 143 L CA 1.322 56.175 54.840 0.021 0.000 0.747 143 L CB -1.358 40.602 42.059 -0.165 0.000 0.896 143 L HN 0.477 nan 8.230 nan 0.000 0.432 144 G N -0.284 108.501 108.800 -0.025 0.000 2.402 144 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 144 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 144 G C 1.715 176.592 174.900 -0.039 0.000 1.162 144 G CA 0.506 45.575 45.100 -0.053 0.000 0.777 144 G HN 0.269 nan 8.290 nan 0.000 0.539 145 K N -0.167 120.206 120.400 -0.046 0.000 2.057 145 K HA 0.038 4.357 4.320 -0.000 0.000 0.206 145 K C 2.604 179.184 176.600 -0.033 0.000 1.050 145 K CA 0.848 57.113 56.287 -0.036 0.000 0.935 145 K CB -0.223 32.254 32.500 -0.038 0.000 0.715 145 K HN 0.173 nan 8.250 nan 0.000 0.439 146 V N 1.489 121.377 119.914 -0.044 0.000 2.332 146 V HA -0.246 3.873 4.120 -0.000 0.000 0.248 146 V C 2.059 178.118 176.094 -0.059 0.000 1.055 146 V CA 1.699 63.933 62.300 -0.110 0.000 1.038 146 V CB -0.424 31.235 31.823 -0.273 0.000 0.651 146 V HN 0.275 nan 8.190 nan 0.000 0.450 147 R N -0.367 120.148 120.500 0.025 0.000 2.275 147 R HA 0.066 4.406 4.340 -0.000 0.000 0.199 147 R C 0.978 177.285 176.300 0.012 0.000 0.989 147 R CA 0.323 56.453 56.100 0.050 0.000 1.016 147 R CB -0.396 29.958 30.300 0.090 0.000 0.918 147 R HN 0.630 nan 8.270 nan 0.000 0.473 148 N N 1.375 120.073 118.700 -0.004 0.000 2.740 148 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 148 N C -1.266 174.239 175.510 -0.008 0.000 1.062 148 N CA 0.628 53.675 53.050 -0.006 0.000 0.704 148 N CB -0.398 38.087 38.487 -0.004 0.000 0.968 148 N HN 0.409 nan 8.380 nan 0.000 0.547 149 E N -0.308 119.881 120.200 -0.018 0.000 2.343 149 E HA 0.483 4.833 4.350 -0.000 0.000 0.270 149 E C -2.638 173.931 176.600 -0.052 0.000 0.895 149 E CA -1.894 54.483 56.400 -0.039 0.000 0.767 149 E CB 2.008 31.677 29.700 -0.051 0.000 1.248 149 E HN 0.083 nan 8.360 nan 0.000 0.440 150 P HA 0.010 nan 4.420 nan 0.000 0.274 150 P C 0.658 177.903 177.300 -0.092 0.000 1.237 150 P CA -0.234 62.871 63.100 0.009 0.000 0.793 150 P CB 0.750 32.582 31.700 0.220 0.000 0.977 151 V N 1.574 121.353 119.914 -0.225 0.000 2.407 151 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 151 V C 2.144 178.225 176.094 -0.023 0.000 1.055 151 V CA 2.155 64.282 62.300 -0.289 0.000 1.049 151 V CB -1.717 29.571 31.823 -0.891 0.000 0.662 151 V HN 0.655 nan 8.190 nan 0.000 0.455 152 Y N 0.750 121.164 120.300 0.191 0.000 2.274 152 Y HA -0.113 4.437 4.550 -0.000 0.000 0.290 152 Y C 2.328 178.265 175.900 0.063 0.000 1.145 152 Y CA 1.154 59.344 58.100 0.151 0.000 1.203 152 Y CB -0.519 38.058 38.460 0.194 0.000 0.984 152 Y HN 0.000 nan 8.280 nan 0.000 0.533 153 R N 1.015 121.173 120.500 -0.570 0.000 2.339 153 R HA 0.124 4.464 4.340 -0.000 0.000 0.199 153 R C 1.351 177.559 176.300 -0.154 0.000 1.018 153 R CA 0.654 56.493 56.100 -0.436 0.000 1.036 153 R CB -0.274 29.723 30.300 -0.505 0.000 0.899 153 R HN 0.529 nan 8.270 nan 0.000 0.473 154 L N 0.224 121.407 121.223 -0.067 0.000 2.664 154 L HA 0.256 4.596 4.340 -0.000 0.000 0.233 154 L C 1.625 178.543 176.870 0.080 0.000 1.113 154 L CA 0.255 55.123 54.840 0.047 0.000 0.896 154 L CB 0.144 42.304 42.059 0.169 0.000 1.163 154 L HN 0.032 nan 8.230 nan 0.000 0.497 155 I N -4.121 116.452 120.570 0.005 0.000 3.936 155 I HA 0.583 4.753 4.170 -0.000 0.000 0.330 155 I C 0.903 177.013 176.117 -0.012 0.000 1.509 155 I CA 0.257 61.539 61.300 -0.029 0.000 1.126 155 I CB 0.653 38.551 38.000 -0.169 0.000 1.115 155 I HN 0.072 nan 8.210 nan 0.000 0.424 156 G N 0.371 109.170 108.800 -0.001 0.000 2.425 156 G HA2 0.206 4.166 3.960 -0.000 0.000 0.177 156 G HA3 0.206 4.166 3.960 -0.000 0.000 0.177 156 G C 0.664 175.570 174.900 0.011 0.000 0.999 156 G CA -0.217 44.881 45.100 -0.004 0.000 0.723 156 G HN 1.296 nan 8.290 nan 0.000 0.491 157 G N -0.202 108.617 108.800 0.032 0.000 2.632 157 G HA2 0.374 4.334 3.960 -0.000 0.000 0.224 157 G HA3 0.374 4.334 3.960 -0.000 0.000 0.224 157 G C 0.285 175.311 174.900 0.211 0.000 1.341 157 G CA 0.914 46.056 45.100 0.070 0.000 0.880 157 G HN 2.074 nan 8.290 nan 0.000 0.566 158 A N -0.577 122.375 122.820 0.219 0.000 2.274 158 A HA 0.763 5.083 4.320 -0.000 0.000 0.309 158 A C 1.318 178.921 177.584 0.033 0.000 1.226 158 A CA 1.000 53.122 52.037 0.141 0.000 0.853 158 A CB 0.815 19.904 19.000 0.147 0.000 1.146 158 A HN 2.181 nan 8.150 nan 0.000 0.518 159 T N -0.706 113.835 114.554 -0.022 0.000 3.065 159 T HA 0.210 4.559 4.350 -0.000 0.000 0.252 159 T C 0.453 175.120 174.700 -0.054 0.000 1.099 159 T CA 0.644 62.716 62.100 -0.047 0.000 1.063 159 T CB -0.542 68.278 68.868 -0.080 0.000 0.948 159 T HN 0.798 nan 8.240 nan 0.000 0.506 160 K N 0.646 121.011 120.400 -0.058 0.000 2.555 160 K HA 0.429 4.749 4.320 -0.000 0.000 0.279 160 K C 0.016 176.581 176.600 -0.058 0.000 0.986 160 K CA -0.884 55.367 56.287 -0.061 0.000 0.880 160 K CB 1.413 33.868 32.500 -0.075 0.000 1.474 160 K HN 0.096 nan 8.250 nan 0.000 0.433 161 E N 0.649 120.819 120.200 -0.050 0.000 2.400 161 E HA 0.034 4.384 4.350 -0.000 0.000 0.195 161 E C 0.130 176.702 176.600 -0.046 0.000 1.012 161 E CA -0.035 56.339 56.400 -0.044 0.000 0.875 161 E CB 0.490 30.170 29.700 -0.034 0.000 0.859 161 E HN 0.425 nan 8.360 nan 0.000 0.498 162 R N 0.764 121.238 120.500 -0.044 0.000 2.532 162 R HA 0.359 4.698 4.340 -0.000 0.000 0.297 162 R C -1.681 174.622 176.300 0.005 0.000 0.984 162 R CA -0.785 55.310 56.100 -0.009 0.000 0.884 162 R CB 1.246 31.515 30.300 -0.052 0.000 1.182 162 R HN -0.002 nan 8.270 nan 0.000 0.442 163 L N 4.235 125.492 121.223 0.056 0.000 2.261 163 L HA 0.280 4.620 4.340 -0.000 0.000 0.289 163 L C -0.469 176.506 176.870 0.176 0.000 1.059 163 L CA 0.109 54.971 54.840 0.037 0.000 0.816 163 L CB 1.141 43.197 42.059 -0.005 0.000 1.191 163 L HN 0.499 nan 8.230 nan 0.000 0.431 164 D N 3.433 123.927 120.400 0.156 0.000 2.256 164 D HA 0.320 4.960 4.640 -0.000 0.000 0.250 164 D C -0.576 175.969 176.300 0.408 0.000 1.093 164 D CA 0.228 54.438 54.000 0.350 0.000 0.882 164 D CB 1.058 42.022 40.800 0.273 0.000 1.185 164 D HN 0.111 nan 8.370 nan 0.000 0.437 165 F N 1.456 121.681 119.950 0.459 0.000 2.508 165 F HA 0.288 4.815 4.527 -0.000 0.000 0.325 165 F C 0.230 176.223 175.800 0.323 0.000 1.090 165 F CA -1.260 56.990 58.000 0.417 0.000 0.945 165 F CB 1.194 40.408 39.000 0.356 0.000 1.156 165 F HN 0.239 nan 8.300 nan 0.000 0.463 166 Y N 0.760 121.111 120.300 0.085 0.000 2.453 166 Y HA 0.679 5.229 4.550 -0.001 0.000 0.326 166 Y C -0.661 175.146 175.900 -0.154 0.000 1.186 166 Y CA -1.903 55.963 58.100 -0.390 0.000 1.200 166 Y CB 0.881 38.711 38.460 -1.050 0.000 1.247 166 Y HN 0.637 nan 8.280 nan 0.000 0.482 167 C N 2.376 121.477 119.300 -0.332 0.000 2.379 167 C HA 0.680 5.140 4.460 -0.000 0.000 0.323 167 C C -0.454 174.374 174.990 -0.271 0.000 1.262 167 C CA -0.106 58.558 59.018 -0.591 0.000 1.581 167 C CB 0.326 27.346 27.740 -1.201 0.000 2.221 167 C HN 0.956 nan 8.230 nan 0.000 0.497 168 T N 4.493 118.929 114.554 -0.197 0.000 2.770 168 T HA 0.756 5.106 4.350 -0.000 0.000 0.297 168 T C 0.253 174.907 174.700 -0.078 0.000 0.997 168 T CA 0.119 62.187 62.100 -0.053 0.000 0.949 168 T CB 0.984 69.897 68.868 0.076 0.000 0.941 168 T HN 1.296 nan 8.240 nan 0.000 0.457 169 G N 3.784 112.428 108.800 -0.261 0.000 2.321 169 G HA2 0.416 4.376 3.960 -0.000 0.000 0.296 169 G HA3 0.416 4.376 3.960 -0.000 0.000 0.296 169 G C -2.677 171.793 174.900 -0.717 0.000 1.287 169 G CA -0.873 43.803 45.100 -0.706 0.000 0.846 169 G HN 0.246 nan 8.290 nan 0.000 0.508 170 P HA 0.190 nan 4.420 nan 0.000 0.245 170 P C -0.206 176.882 177.300 -0.353 0.000 1.206 170 P CA 0.762 63.541 63.100 -0.535 0.000 0.781 170 P CB 0.524 31.919 31.700 -0.508 0.000 0.994 171 E N 0.975 120.948 120.200 -0.378 0.000 2.489 171 E HA 0.191 4.541 4.350 -0.000 0.000 0.232 171 E C -1.963 174.489 176.600 -0.247 0.000 0.990 171 E CA -1.859 54.394 56.400 -0.246 0.000 0.768 171 E CB 1.532 31.119 29.700 -0.189 0.000 1.270 171 E HN 0.237 nan 8.360 nan 0.000 0.423 172 P HA -0.145 nan 4.420 nan 0.000 0.223 172 P C 1.275 178.437 177.300 -0.230 0.000 1.151 172 P CA 1.109 64.099 63.100 -0.182 0.000 0.787 172 P CB 0.075 31.679 31.700 -0.160 0.000 0.788 173 T N -2.112 112.309 114.554 -0.222 0.000 2.821 173 T HA 0.002 4.352 4.350 -0.000 0.000 0.267 173 T C 2.102 176.683 174.700 -0.198 0.000 1.046 173 T CA 1.131 63.081 62.100 -0.250 0.000 1.139 173 T CB -1.020 67.748 68.868 -0.168 0.000 0.871 173 T HN 0.019 nan 8.240 nan 0.000 0.454 174 A N 2.111 124.843 122.820 -0.147 0.000 1.877 174 A HA 0.322 4.641 4.320 -0.000 0.000 0.216 174 A C 2.861 180.416 177.584 -0.048 0.000 1.186 174 A CA 1.886 53.866 52.037 -0.096 0.000 0.620 174 A CB -1.479 17.463 19.000 -0.096 0.000 0.822 174 A HN 0.717 nan 8.150 nan 0.000 0.443 175 A N -0.168 122.609 122.820 -0.071 0.000 1.892 175 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 175 A C 2.157 179.843 177.584 0.170 0.000 1.188 175 A CA 2.211 54.273 52.037 0.043 0.000 0.631 175 A CB -0.555 18.421 19.000 -0.039 0.000 0.822 175 A HN 0.556 nan 8.150 nan 0.000 0.447 176 K N -0.322 119.991 120.400 -0.146 0.000 2.063 176 K HA -0.035 4.285 4.320 -0.000 0.000 0.208 176 K C 1.223 177.762 176.600 -0.101 0.000 1.048 176 K CA 0.893 56.971 56.287 -0.349 0.000 0.928 176 K CB -0.379 31.557 32.500 -0.941 0.000 0.713 176 K HN 0.525 nan 8.250 nan 0.000 0.442 180 F N 1.779 121.809 119.950 0.134 0.000 2.563 180 F HA 0.233 4.759 4.527 -0.000 0.000 0.363 180 F C 1.965 177.881 175.800 0.193 0.000 1.123 180 F CA -0.292 57.793 58.000 0.142 0.000 1.307 180 F CB 0.587 39.619 39.000 0.054 0.000 1.115 180 F HN 0.373 nan 8.300 nan 0.000 0.592 181 W N 1.596 123.059 121.300 0.271 0.000 2.800 181 W HA 0.432 5.092 4.660 -0.000 0.000 0.249 181 W C -0.090 176.279 176.519 -0.250 0.000 1.294 181 W CA 0.591 57.976 57.345 0.066 0.000 1.402 181 W CB -0.581 28.867 29.460 -0.019 0.000 1.126 181 W HN 0.502 nan 8.180 nan 0.000 0.652 182 G N -0.058 108.254 108.800 -0.813 0.000 2.576 182 G HA2 0.456 4.416 3.960 -0.000 0.000 0.290 182 G HA3 0.456 4.416 3.960 -0.000 0.000 0.290 182 G C -1.557 172.886 174.900 -0.762 0.000 1.442 182 G CA -0.251 44.044 45.100 -1.341 0.000 0.792 182 G HN 0.241 nan 8.290 nan 0.000 0.491 183 G N -0.348 108.056 108.800 -0.661 0.000 2.662 183 G HA2 0.596 4.555 3.960 -0.000 0.000 0.302 183 G HA3 0.596 4.555 3.960 -0.000 0.000 0.302 183 G C -1.248 173.435 174.900 -0.361 0.000 1.389 183 G CA -0.624 44.312 45.100 -0.273 0.000 0.998 183 G HN 0.549 nan 8.290 nan 0.000 0.502 184 K N 1.486 121.744 120.400 -0.236 0.000 2.394 184 K HA 0.592 4.912 4.320 -0.000 0.000 0.260 184 K C -0.121 176.382 176.600 -0.162 0.000 0.967 184 K CA -0.663 55.496 56.287 -0.215 0.000 0.855 184 K CB 1.672 34.165 32.500 -0.012 0.000 1.101 184 K HN 0.503 nan 8.250 nan 0.000 0.433 185 V N 1.754 121.560 119.914 -0.180 0.000 2.630 185 V HA 0.696 4.815 4.120 -0.000 0.000 0.305 185 V C -2.660 173.472 176.094 0.062 0.000 1.046 185 V CA -2.601 59.633 62.300 -0.110 0.000 0.934 185 V CB 1.106 32.794 31.823 -0.224 0.000 1.003 185 V HN 0.659 nan 8.190 nan 0.000 0.451 186 P HA 0.407 nan 4.420 nan 0.000 0.284 186 P C -0.755 176.550 177.300 0.008 0.000 1.253 186 P CA -0.540 62.636 63.100 0.126 0.000 0.800 186 P CB 1.115 32.922 31.700 0.178 0.000 0.961 187 L N 6.255 127.476 121.223 -0.003 0.000 2.313 187 L HA 0.259 4.599 4.340 -0.000 0.000 0.282 187 L C -1.539 175.151 176.870 -0.300 0.000 1.092 187 L CA -1.863 52.907 54.840 -0.117 0.000 0.831 187 L CB 0.497 42.618 42.059 0.104 0.000 1.159 187 L HN 0.293 nan 8.230 nan 0.000 0.442 188 P HA -0.090 nan 4.420 nan 0.000 0.216 188 P C -0.357 176.451 177.300 -0.819 0.000 1.153 188 P CA 1.243 63.808 63.100 -0.892 0.000 0.844 188 P CB 0.087 30.964 31.700 -1.371 0.000 0.787 189 F N -0.137 119.766 119.950 -0.078 0.000 2.522 189 F HA 0.344 4.871 4.527 -0.000 0.000 0.324 189 F C 1.143 176.907 175.800 -0.061 0.000 1.077 189 F CA -1.193 56.783 58.000 -0.039 0.000 0.944 189 F CB 0.600 39.597 39.000 -0.004 0.000 1.175 189 F HN 0.045 nan 8.300 nan 0.000 0.468 190 C N 1.003 120.334 119.300 0.051 0.000 2.325 190 C HA 0.536 4.996 4.460 -0.000 0.000 0.370 190 C C -1.483 173.242 174.990 -0.442 0.000 1.217 190 C CA -1.808 57.089 59.018 -0.203 0.000 2.254 190 C CB 1.574 29.200 27.740 -0.191 0.000 2.282 190 C HN 0.670 nan 8.230 nan 0.000 0.564 191 P HA -0.104 nan 4.420 nan 0.000 0.216 191 P C 0.600 177.700 177.300 -0.335 0.000 1.150 191 P CA 1.832 64.427 63.100 -0.842 0.000 0.843 191 P CB -0.082 31.224 31.700 -0.657 0.000 0.787 192 D N -1.445 118.791 120.400 -0.273 0.000 2.371 192 D HA -0.090 4.550 4.640 -0.000 0.000 0.221 192 D C 1.026 177.257 176.300 -0.114 0.000 0.986 192 D CA 0.737 54.627 54.000 -0.184 0.000 0.899 192 D CB -0.592 40.071 40.800 -0.228 0.000 0.902 192 D HN 0.173 nan 8.370 nan 0.000 0.530 193 D N -0.041 120.304 120.400 -0.092 0.000 2.349 193 D HA 0.150 4.790 4.640 -0.000 0.000 0.224 193 D C 1.420 177.696 176.300 -0.040 0.000 1.029 193 D CA 0.528 54.496 54.000 -0.053 0.000 0.879 193 D CB 0.184 40.970 40.800 -0.024 0.000 0.906 193 D HN 0.205 nan 8.370 nan 0.000 0.528 194 G N 0.724 109.505 108.800 -0.032 0.000 2.598 194 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.244 194 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.244 194 G C 0.695 175.576 174.900 -0.031 0.000 1.302 194 G CA -0.123 44.956 45.100 -0.036 0.000 0.903 194 G HN 0.313 nan 8.290 nan 0.000 0.575 195 H N 0.437 119.536 119.070 0.047 0.000 2.462 195 H HA 0.019 4.575 4.556 -0.000 0.000 0.292 195 H C 2.549 177.885 175.328 0.012 0.000 1.049 195 H CA 1.424 57.491 56.048 0.032 0.000 1.334 195 H CB 0.167 29.936 29.762 0.011 0.000 1.404 195 H HN 0.509 nan 8.280 nan 0.000 0.544 196 E N 0.627 120.880 120.200 0.089 0.000 2.047 196 E HA -0.084 4.265 4.350 -0.000 0.000 0.191 196 E C 2.493 179.054 176.600 -0.065 0.000 0.987 196 E CA 0.800 57.202 56.400 0.003 0.000 0.799 196 E CB -0.268 29.411 29.700 -0.036 0.000 0.752 196 E HN 0.496 nan 8.360 nan 0.000 0.449 197 G N 1.597 110.338 108.800 -0.099 0.000 2.469 197 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 197 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 197 G C 1.725 176.687 174.900 0.103 0.000 1.136 197 G CA 0.864 45.890 45.100 -0.122 0.000 0.759 197 G HN 0.251 nan 8.290 nan 0.000 0.562 198 L N -0.223 121.083 121.223 0.140 0.000 2.017 198 L HA 0.022 4.361 4.340 -0.000 0.000 0.208 198 L C 3.127 180.060 176.870 0.104 0.000 1.073 198 L CA 1.331 56.244 54.840 0.121 0.000 0.745 198 L CB -0.147 41.902 42.059 -0.016 0.000 0.894 198 L HN 0.115 nan 8.230 nan 0.000 0.432 199 R N -0.680 119.870 120.500 0.082 0.000 2.148 199 R HA -0.144 4.196 4.340 -0.000 0.000 0.227 199 R C 2.240 178.602 176.300 0.102 0.000 1.103 199 R CA 1.132 57.280 56.100 0.080 0.000 0.983 199 R CB -0.102 30.232 30.300 0.058 0.000 0.874 199 R HN 0.327 nan 8.270 nan 0.000 0.451 200 K N 0.232 120.685 120.400 0.087 0.000 2.057 200 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 200 K C 1.790 178.586 176.600 0.327 0.000 1.050 200 K CA 1.156 57.531 56.287 0.148 0.000 0.935 200 K CB -0.009 32.444 32.500 -0.078 0.000 0.715 200 K HN 0.075 nan 8.250 nan 0.000 0.439 201 N N 0.493 119.403 118.700 0.349 0.000 2.104 201 N HA -0.153 4.586 4.740 -0.000 0.000 0.190 201 N C 1.762 177.470 175.510 0.331 0.000 1.024 201 N CA 1.160 54.414 53.050 0.341 0.000 0.853 201 N CB -0.366 38.318 38.487 0.329 0.000 1.008 201 N HN -0.047 nan 8.380 nan 0.000 0.424 202 V N 1.092 121.155 119.914 0.249 0.000 2.407 202 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 202 V C 2.351 178.564 176.094 0.197 0.000 1.055 202 V CA 1.520 63.946 62.300 0.210 0.000 1.049 202 V CB -0.411 31.497 31.823 0.141 0.000 0.662 202 V HN 0.226 nan 8.190 nan 0.000 0.455 203 E N 0.103 120.420 120.200 0.195 0.000 2.028 203 E HA -0.184 4.165 4.350 -0.000 0.000 0.190 203 E C 1.896 178.587 176.600 0.150 0.000 0.984 203 E CA 1.254 57.742 56.400 0.147 0.000 0.800 203 E CB -0.550 29.227 29.700 0.128 0.000 0.758 203 E HN 0.429 nan 8.360 nan 0.000 0.448 204 F N 0.906 120.894 119.950 0.064 0.000 2.053 204 F HA -0.333 4.194 4.527 -0.001 0.000 0.295 204 F C 1.905 177.713 175.800 0.013 0.000 1.102 204 F CA 2.227 60.242 58.000 0.025 0.000 1.225 204 F CB -0.405 38.666 39.000 0.118 0.000 0.961 204 F HN 0.093 nan 8.300 nan 0.000 0.495 205 L N -0.639 120.749 121.223 0.274 0.000 2.156 205 L HA -0.128 4.211 4.340 -0.000 0.000 0.208 205 L C 2.673 179.574 176.870 0.051 0.000 1.095 205 L CA 1.078 56.023 54.840 0.176 0.000 0.770 205 L CB -0.660 41.543 42.059 0.239 0.000 0.914 205 L HN 0.122 nan 8.230 nan 0.000 0.439 206 R N 0.792 121.320 120.500 0.047 0.000 2.092 206 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 206 R C 2.195 178.467 176.300 -0.047 0.000 1.119 206 R CA 1.235 57.344 56.100 0.014 0.000 0.970 206 R CB 0.026 30.346 30.300 0.033 0.000 0.864 206 R HN 0.287 nan 8.270 nan 0.000 0.440 207 K N -0.736 119.591 120.400 -0.121 0.000 2.009 207 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 207 K C 2.017 178.482 176.600 -0.225 0.000 1.049 207 K CA 2.058 58.216 56.287 -0.215 0.000 0.929 207 K CB -0.228 32.057 32.500 -0.358 0.000 0.714 207 K HN 0.423 nan 8.250 nan 0.000 0.440 208 H N -0.904 118.041 119.070 -0.208 0.000 2.357 208 H HA -0.082 4.474 4.556 -0.000 0.000 0.301 208 H C 2.167 177.419 175.328 -0.127 0.000 1.082 208 H CA 1.193 57.113 56.048 -0.215 0.000 1.342 208 H CB 0.158 29.742 29.762 -0.296 0.000 1.389 208 H HN -0.018 nan 8.280 nan 0.000 0.511 209 R N 1.327 121.844 120.500 0.029 0.000 2.091 209 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 209 R C 2.020 178.318 176.300 -0.003 0.000 1.136 209 R CA 1.678 57.785 56.100 0.011 0.000 0.959 209 R CB -0.296 30.008 30.300 0.006 0.000 0.856 209 R HN 0.246 nan 8.270 nan 0.000 0.437 210 E N -0.351 119.835 120.200 -0.024 0.000 2.072 210 E HA -0.007 4.342 4.350 -0.000 0.000 0.191 210 E C 1.720 178.295 176.600 -0.042 0.000 0.985 210 E CA 1.569 57.950 56.400 -0.032 0.000 0.801 210 E CB -0.329 29.346 29.700 -0.043 0.000 0.750 210 E HN 0.406 nan 8.360 nan 0.000 0.452 211 A N 0.017 122.804 122.820 -0.055 0.000 1.898 211 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 211 A C 2.298 179.835 177.584 -0.080 0.000 1.181 211 A CA 1.839 53.836 52.037 -0.067 0.000 0.620 211 A CB -0.626 18.331 19.000 -0.070 0.000 0.819 211 A HN 0.318 nan 8.150 nan 0.000 0.442 212 V N -3.709 116.164 119.914 -0.068 0.000 3.608 212 V HA 0.525 4.644 4.120 -0.000 0.000 0.269 212 V C 1.079 177.145 176.094 -0.046 0.000 1.245 212 V CA 0.474 62.705 62.300 -0.115 0.000 1.138 212 V CB -1.272 30.479 31.823 -0.120 0.000 0.841 212 V HN 1.761 nan 8.190 nan 0.000 0.451 213 G N 1.328 110.119 108.800 -0.014 0.000 2.796 213 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.571 213 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.571 213 G C -1.333 173.588 174.900 0.036 0.000 1.370 213 G CA -0.093 45.010 45.100 0.005 0.000 0.856 213 G HN 0.355 nan 8.290 nan 0.000 0.538 214 P HA 0.118 nan 4.420 nan 0.000 0.233 214 P C 0.478 177.803 177.300 0.041 0.000 1.167 214 P CA 1.397 64.515 63.100 0.030 0.000 0.770 214 P CB 0.260 31.972 31.700 0.020 0.000 0.837 215 D N -1.639 118.802 120.400 0.068 0.000 2.417 215 D HA 0.094 4.734 4.640 -0.000 0.000 0.207 215 D C -0.071 176.294 176.300 0.108 0.000 1.075 215 D CA -0.122 53.922 54.000 0.074 0.000 0.851 215 D CB -0.106 40.737 40.800 0.072 0.000 0.976 215 D HN 0.102 nan 8.370 nan 0.000 0.505 216 F N 2.347 122.277 119.950 -0.033 0.000 2.411 216 F HA 0.347 4.874 4.527 -0.000 0.000 0.355 216 F C -2.207 173.538 175.800 -0.092 0.000 1.117 216 F CA -2.595 55.377 58.000 -0.045 0.000 1.139 216 F CB 1.020 39.985 39.000 -0.058 0.000 1.120 216 F HN -0.298 nan 8.300 nan 0.000 0.493 217 P HA 0.118 nan 4.420 nan 0.000 0.260 217 P C -0.465 176.402 177.300 -0.723 0.000 1.185 217 P CA 0.729 63.478 63.100 -0.584 0.000 0.763 217 P CB 0.370 31.776 31.700 -0.491 0.000 0.776 221 D N 2.669 123.153 120.400 0.140 0.000 2.312 221 D HA 0.332 4.972 4.640 -0.000 0.000 0.252 221 D C 0.362 176.826 176.300 0.274 0.000 1.150 221 D CA -0.070 54.085 54.000 0.260 0.000 0.870 221 D CB 1.730 42.694 40.800 0.273 0.000 1.153 221 D HN 0.720 nan 8.370 nan 0.000 0.457 222 C N 4.520 124.015 119.300 0.326 0.000 2.881 222 C HA 0.156 4.616 4.460 -0.000 0.000 0.290 222 C C 0.465 175.622 174.990 0.277 0.000 1.362 222 C CA -0.833 58.362 59.018 0.296 0.000 1.757 222 C CB -2.223 25.718 27.740 0.334 0.000 2.265 222 C HN 0.749 nan 8.230 nan 0.000 0.600 226 L N 2.161 123.341 121.223 -0.071 0.000 2.751 226 L HA 0.723 5.063 4.340 -0.000 0.000 0.241 226 L C 0.172 176.986 176.870 -0.094 0.000 1.146 226 L CA -0.990 53.797 54.840 -0.089 0.000 0.879 226 L CB 0.300 42.404 42.059 0.075 0.000 1.687 226 L HN 0.518 nan 8.230 nan 0.000 0.527 227 N N -2.914 115.755 118.700 -0.052 0.000 2.831 227 N HA 0.345 5.084 4.740 -0.000 0.000 0.276 227 N C 0.066 175.540 175.510 -0.061 0.000 1.416 227 N CA -0.925 52.080 53.050 -0.075 0.000 0.799 227 N CB 1.164 39.606 38.487 -0.073 0.000 1.554 227 N HN 0.123 nan 8.380 nan 0.000 0.541 228 V N -0.029 119.819 119.914 -0.109 0.000 2.255 228 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 228 V C 2.043 178.095 176.094 -0.070 0.000 1.051 228 V CA 2.360 64.582 62.300 -0.131 0.000 1.018 228 V CB -0.933 30.803 31.823 -0.145 0.000 0.641 228 V HN 0.783 nan 8.190 nan 0.000 0.445 229 S N -1.760 113.920 115.700 -0.034 0.000 2.368 229 S HA -0.180 4.290 4.470 -0.000 0.000 0.224 229 S C 1.811 176.413 174.600 0.003 0.000 1.029 229 S CA 1.600 59.790 58.200 -0.017 0.000 0.988 229 S CB -0.417 62.779 63.200 -0.006 0.000 0.838 229 S HN 0.640 nan 8.310 nan 0.000 0.462 230 Y N 2.659 122.912 120.300 -0.080 0.000 2.070 230 Y HA -0.249 4.300 4.550 -0.001 0.000 0.280 230 Y C 2.696 178.551 175.900 -0.075 0.000 1.148 230 Y CA 2.122 60.176 58.100 -0.077 0.000 1.125 230 Y CB -1.032 37.380 38.460 -0.080 0.000 0.975 230 Y HN 0.194 nan 8.280 nan 0.000 0.492 231 T N 1.159 115.758 114.554 0.074 0.000 2.624 231 T HA -0.293 4.057 4.350 -0.000 0.000 0.268 231 T C 1.962 176.595 174.700 -0.111 0.000 1.041 231 T CA 2.313 64.389 62.100 -0.040 0.000 1.159 231 T CB -0.677 68.172 68.868 -0.031 0.000 0.863 231 T HN 0.371 nan 8.240 nan 0.000 0.434 232 I N 0.526 121.076 120.570 -0.033 0.000 2.208 232 I HA -0.174 3.995 4.170 -0.000 0.000 0.245 232 I C 2.790 178.955 176.117 0.080 0.000 1.097 232 I CA 1.443 62.798 61.300 0.091 0.000 1.363 232 I CB -0.323 37.677 38.000 0.000 0.000 1.051 232 I HN 0.347 nan 8.210 nan 0.000 0.413 233 E N 0.733 120.887 120.200 -0.077 0.000 2.046 233 E HA -0.244 4.106 4.350 -0.000 0.000 0.190 233 E C 2.190 178.674 176.600 -0.193 0.000 0.982 233 E CA 0.950 57.280 56.400 -0.118 0.000 0.800 233 E CB 0.040 29.640 29.700 -0.167 0.000 0.756 233 E HN 0.281 nan 8.360 nan 0.000 0.449 234 L N 0.486 121.497 121.223 -0.353 0.000 2.017 234 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 234 L C 2.217 178.887 176.870 -0.332 0.000 1.073 234 L CA 1.416 56.047 54.840 -0.348 0.000 0.745 234 L CB -0.517 41.298 42.059 -0.408 0.000 0.894 234 L HN 0.009 nan 8.230 nan 0.000 0.432 235 V N 0.137 119.726 119.914 -0.542 0.000 2.287 235 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 235 V C 2.680 178.563 176.094 -0.352 0.000 1.053 235 V CA 2.255 64.137 62.300 -0.697 0.000 1.027 235 V CB -0.808 30.431 31.823 -0.973 0.000 0.646 235 V HN 0.563 nan 8.190 nan 0.000 0.447 236 K N 0.313 120.604 120.400 -0.181 0.000 2.103 236 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 236 K C 2.085 178.698 176.600 0.023 0.000 1.048 236 K CA 1.607 57.922 56.287 0.046 0.000 0.930 236 K CB -0.306 32.293 32.500 0.166 0.000 0.716 236 K HN 0.444 nan 8.250 nan 0.000 0.444 237 A N 0.080 122.896 122.820 -0.006 0.000 2.067 237 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 237 A C 1.740 179.364 177.584 0.066 0.000 1.158 237 A CA 1.168 53.220 52.037 0.025 0.000 0.661 237 A CB -0.299 18.706 19.000 0.008 0.000 0.801 237 A HN 0.508 nan 8.150 nan 0.000 0.452 238 C N -0.459 118.897 119.300 0.094 0.000 2.778 238 C HA 0.387 4.847 4.460 -0.000 0.000 0.294 238 C C 1.952 177.033 174.990 0.153 0.000 1.331 238 C CA -0.493 58.632 59.018 0.178 0.000 1.741 238 C CB -1.680 26.287 27.740 0.378 0.000 2.106 238 C HN 0.607 nan 8.230 nan 0.000 0.603 239 L N 1.793 123.073 121.223 0.095 0.000 2.191 239 L HA -0.122 4.217 4.340 -0.000 0.000 0.212 239 L C 2.287 179.203 176.870 0.075 0.000 1.103 239 L CA 1.504 56.394 54.840 0.084 0.000 0.769 239 L CB -0.261 41.841 42.059 0.072 0.000 0.908 239 L HN 0.499 nan 8.230 nan 0.000 0.438 240 D N -0.112 120.329 120.400 0.068 0.000 2.317 240 D HA -0.144 4.496 4.640 -0.000 0.000 0.211 240 D C 1.712 178.041 176.300 0.048 0.000 0.966 240 D CA 0.733 54.765 54.000 0.053 0.000 0.876 240 D CB -0.247 40.581 40.800 0.046 0.000 0.927 240 D HN 0.340 nan 8.370 nan 0.000 0.519 241 L N -0.216 121.042 121.223 0.060 0.000 2.629 241 L HA 0.124 4.464 4.340 -0.000 0.000 0.230 241 L C 0.047 176.926 176.870 0.014 0.000 1.151 241 L CA -0.489 54.376 54.840 0.042 0.000 0.924 241 L CB -1.080 41.014 42.059 0.059 0.000 1.137 241 L HN -0.188 nan 8.230 nan 0.000 0.457 242 N N 2.009 120.722 118.700 0.022 0.000 2.823 242 N HA -0.210 4.529 4.740 -0.000 0.000 0.287 242 N C -0.108 175.370 175.510 -0.054 0.000 1.007 242 N CA 0.417 53.469 53.050 0.003 0.000 0.840 242 N CB -0.428 38.060 38.487 0.000 0.000 0.944 242 N HN 0.163 nan 8.380 nan 0.000 0.590 243 I N 0.702 121.231 120.570 -0.068 0.000 2.556 243 I HA -0.066 4.103 4.170 -0.000 0.000 0.284 243 I C 1.951 177.932 176.117 -0.226 0.000 1.114 243 I CA 0.386 61.541 61.300 -0.240 0.000 1.418 243 I CB 0.681 38.422 38.000 -0.431 0.000 1.394 243 I HN 0.517 nan 8.210 nan 0.000 0.552 244 N N 5.370 123.872 118.700 -0.330 0.000 2.062 244 N HA -0.106 4.633 4.740 -0.000 0.000 0.191 244 N C -0.224 175.237 175.510 -0.083 0.000 1.042 244 N CA 1.260 54.167 53.050 -0.238 0.000 0.845 244 N CB 0.309 38.551 38.487 -0.409 0.000 1.024 244 N HN 0.689 nan 8.380 nan 0.000 0.424 245 W N -0.985 120.137 121.300 -0.297 0.000 3.075 245 W HA 0.548 5.207 4.660 -0.000 0.000 0.334 245 W C -2.324 173.970 176.519 -0.376 0.000 1.243 245 W CA -1.341 55.853 57.345 -0.251 0.000 1.170 245 W CB -0.284 29.113 29.460 -0.105 0.000 1.452 245 W HN -0.151 nan 8.180 nan 0.000 0.572 246 W N 2.408 123.817 121.300 0.182 0.000 2.471 246 W HA 0.530 5.190 4.660 -0.001 0.000 0.318 246 W C -0.394 176.379 176.519 0.423 0.000 1.034 246 W CA -0.700 56.782 57.345 0.228 0.000 1.224 246 W CB 1.890 31.421 29.460 0.120 0.000 1.335 246 W HN 0.459 nan 8.180 nan 0.000 0.452 247 E N 2.407 122.972 120.200 0.608 0.000 2.171 247 E HA 0.171 4.521 4.350 -0.000 0.000 0.271 247 E C 0.081 176.949 176.600 0.447 0.000 0.916 247 E CA -0.300 56.404 56.400 0.506 0.000 0.774 247 E CB 0.908 30.921 29.700 0.522 0.000 1.128 247 E HN 0.566 nan 8.360 nan 0.000 0.403 248 E N 2.566 123.008 120.200 0.404 0.000 2.297 248 E HA -0.273 4.077 4.350 -0.000 0.000 0.228 248 E C 0.397 177.198 176.600 0.335 0.000 1.213 248 E CA 0.283 56.894 56.400 0.352 0.000 0.712 248 E CB -1.684 28.183 29.700 0.278 0.000 1.202 248 E HN 0.665 nan 8.360 nan 0.000 0.376 249 C N -0.491 119.067 119.300 0.430 0.000 2.440 249 C HA -0.028 4.432 4.460 -0.000 0.000 0.278 249 C C 1.490 176.536 174.990 0.094 0.000 1.295 249 C CA 0.391 59.584 59.018 0.292 0.000 1.738 249 C CB -0.363 27.576 27.740 0.332 0.000 1.987 249 C HN 0.309 nan 8.230 nan 0.000 0.492 250 L N 0.328 121.569 121.223 0.031 0.000 2.344 250 L HA 0.322 4.661 4.340 -0.000 0.000 0.272 250 L C 0.530 177.382 176.870 -0.031 0.000 1.035 250 L CA -0.091 54.675 54.840 -0.124 0.000 0.807 250 L CB 0.898 42.705 42.059 -0.419 0.000 1.237 250 L HN 0.004 nan 8.230 nan 0.000 0.442 251 S N 1.428 117.082 115.700 -0.076 0.000 2.558 251 S HA 0.051 4.521 4.470 -0.000 0.000 0.293 251 S C -1.568 173.027 174.600 -0.008 0.000 1.292 251 S CA -0.822 57.340 58.200 -0.064 0.000 1.063 251 S CB 0.626 63.778 63.200 -0.079 0.000 0.831 251 S HN 0.394 nan 8.310 nan 0.000 0.499 252 P HA -0.041 nan 4.420 nan 0.000 0.226 252 P C 0.518 177.841 177.300 0.039 0.000 1.146 252 P CA 0.777 63.909 63.100 0.053 0.000 0.773 252 P CB 0.064 31.807 31.700 0.071 0.000 0.772 253 D N -0.975 119.433 120.400 0.015 0.000 2.317 253 D HA -0.086 4.554 4.640 -0.000 0.000 0.211 253 D C 0.397 176.694 176.300 -0.005 0.000 0.966 253 D CA 1.151 55.155 54.000 0.008 0.000 0.876 253 D CB -0.115 40.682 40.800 -0.005 0.000 0.927 253 D HN 0.184 nan 8.370 nan 0.000 0.519 254 D N -0.559 119.829 120.400 -0.021 0.000 2.943 254 D HA 0.109 4.749 4.640 -0.000 0.000 0.347 254 D C 0.696 176.966 176.300 -0.050 0.000 1.305 254 D CA -0.076 53.893 54.000 -0.052 0.000 0.870 254 D CB 0.227 40.967 40.800 -0.101 0.000 1.081 254 D HN -0.287 nan 8.370 nan 0.000 0.492 255 T N -0.496 114.090 114.554 0.055 0.000 2.915 255 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 255 T C 1.034 175.836 174.700 0.171 0.000 1.071 255 T CA 0.766 62.993 62.100 0.211 0.000 1.132 255 T CB 0.032 69.012 68.868 0.186 0.000 0.878 255 T HN 0.249 nan 8.240 nan 0.000 0.479 256 D N 1.254 121.683 120.400 0.049 0.000 2.265 256 D HA -0.046 4.594 4.640 -0.000 0.000 0.208 256 D C 2.195 178.478 176.300 -0.029 0.000 0.977 256 D CA 0.874 54.885 54.000 0.018 0.000 0.871 256 D CB -0.661 40.136 40.800 -0.005 0.000 0.925 256 D HN 0.497 nan 8.370 nan 0.000 0.485 257 G N -0.684 108.041 108.800 -0.125 0.000 2.598 257 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.215 257 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.215 257 G C 1.149 175.885 174.900 -0.273 0.000 1.131 257 G CA -0.125 44.841 45.100 -0.224 0.000 0.785 257 G HN 0.172 nan 8.290 nan 0.000 0.539 258 F N 1.717 121.603 119.950 -0.106 0.000 2.234 258 F HA 0.103 4.630 4.527 -0.000 0.000 0.299 258 F C 2.878 178.597 175.800 -0.134 0.000 1.087 258 F CA 0.502 58.410 58.000 -0.153 0.000 1.340 258 F CB -0.285 38.653 39.000 -0.104 0.000 1.031 258 F HN 0.225 nan 8.300 nan 0.000 0.500 259 A N 0.411 123.277 122.820 0.075 0.000 1.892 259 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 259 A C 2.224 179.796 177.584 -0.021 0.000 1.188 259 A CA 1.833 53.883 52.037 0.023 0.000 0.631 259 A CB -1.134 17.873 19.000 0.012 0.000 0.822 259 A HN 0.404 nan 8.150 nan 0.000 0.447 260 L N -0.918 120.269 121.223 -0.060 0.000 2.156 260 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 260 L C 2.402 179.207 176.870 -0.108 0.000 1.095 260 L CA 0.866 55.657 54.840 -0.081 0.000 0.770 260 L CB -0.464 41.538 42.059 -0.096 0.000 0.914 260 L HN 0.351 nan 8.230 nan 0.000 0.439 261 I N -0.507 119.969 120.570 -0.157 0.000 2.286 261 I HA -0.204 3.965 4.170 -0.000 0.000 0.245 261 I C 2.494 178.539 176.117 -0.121 0.000 1.104 261 I CA 0.974 62.145 61.300 -0.215 0.000 1.397 261 I CB -0.276 37.441 38.000 -0.471 0.000 1.072 261 I HN 0.141 nan 8.210 nan 0.000 0.417 262 K N 0.746 121.107 120.400 -0.065 0.000 2.209 262 K HA -0.169 4.151 4.320 -0.000 0.000 0.204 262 K C 2.107 178.734 176.600 0.046 0.000 1.048 262 K CA 0.996 57.320 56.287 0.061 0.000 0.940 262 K CB -0.349 32.202 32.500 0.084 0.000 0.729 262 K HN 0.319 nan 8.250 nan 0.000 0.451 263 R N 0.400 120.894 120.500 -0.009 0.000 2.115 263 R HA -0.052 4.287 4.340 -0.000 0.000 0.230 263 R C 1.975 178.238 176.300 -0.061 0.000 1.111 263 R CA 1.251 57.337 56.100 -0.024 0.000 0.976 263 R CB -0.007 30.271 30.300 -0.036 0.000 0.870 263 R HN 0.106 nan 8.270 nan 0.000 0.445 264 A N -0.202 122.544 122.820 -0.124 0.000 1.935 264 A HA -0.006 4.314 4.320 -0.000 0.000 0.214 264 A C 0.409 177.752 177.584 -0.401 0.000 1.178 264 A CA 0.714 52.569 52.037 -0.303 0.000 0.640 264 A CB 0.074 18.822 19.000 -0.421 0.000 0.825 264 A HN 0.371 nan 8.150 nan 0.000 0.447 265 H N -0.854 118.270 119.070 0.091 0.000 2.336 265 H HA 0.236 4.792 4.556 -0.001 0.000 0.230 265 H C -2.253 173.206 175.328 0.218 0.000 1.426 265 H CA -1.676 54.474 56.048 0.170 0.000 1.359 265 H CB 0.641 30.566 29.762 0.272 0.000 1.555 265 H HN 0.362 nan 8.280 nan 0.000 0.512 266 P HA -0.044 nan 4.420 nan 0.000 0.241 266 P C 1.294 178.706 177.300 0.186 0.000 1.191 266 P CA 0.703 63.916 63.100 0.188 0.000 0.771 266 P CB 0.133 31.901 31.700 0.113 0.000 0.929 267 T N -4.055 110.614 114.554 0.192 0.000 3.069 267 T HA 0.188 4.538 4.350 -0.000 0.000 0.252 267 T C 0.643 175.434 174.700 0.151 0.000 1.053 267 T CA -0.134 62.056 62.100 0.150 0.000 0.964 267 T CB -0.469 68.473 68.868 0.123 0.000 1.005 267 T HN -0.218 nan 8.240 nan 0.000 0.532 268 V N 1.658 121.690 119.914 0.197 0.000 2.617 268 V HA 0.432 4.551 4.120 -0.000 0.000 0.298 268 V C -0.042 176.079 176.094 0.044 0.000 1.048 268 V CA -1.049 61.307 62.300 0.095 0.000 0.964 268 V CB 1.539 33.384 31.823 0.037 0.000 1.004 268 V HN 0.284 nan 8.190 nan 0.000 0.466 269 K N 3.223 123.593 120.400 -0.051 0.000 2.172 269 K HA 0.649 4.968 4.320 -0.000 0.000 0.276 269 K C -1.313 175.169 176.600 -0.197 0.000 1.013 269 K CA 0.029 56.322 56.287 0.009 0.000 0.913 269 K CB 0.968 33.553 32.500 0.140 0.000 1.055 269 K HN 0.434 nan 8.250 nan 0.000 0.461 270 F N 0.270 120.333 119.950 0.188 0.000 2.578 270 F HA 0.404 4.930 4.527 -0.001 0.000 0.311 270 F C 0.237 175.992 175.800 -0.074 0.000 1.094 270 F CA -0.681 57.422 58.000 0.171 0.000 0.923 270 F CB 2.399 41.513 39.000 0.190 0.000 1.230 270 F HN 0.515 nan 8.300 nan 0.000 0.450 271 T N -1.237 113.376 114.554 0.098 0.000 2.896 271 T HA 0.858 5.208 4.350 -0.000 0.000 0.297 271 T C -0.794 173.881 174.700 -0.041 0.000 1.108 271 T CA -0.575 61.452 62.100 -0.122 0.000 1.004 271 T CB 2.192 70.846 68.868 -0.358 0.000 1.159 271 T HN 0.797 nan 8.240 nan 0.000 0.499 272 T N -1.469 113.040 114.554 -0.074 0.000 2.677 272 T HA 0.657 5.007 4.350 -0.000 0.000 0.305 272 T C 0.360 175.091 174.700 0.051 0.000 1.569 272 T CA 0.556 62.672 62.100 0.027 0.000 0.984 272 T CB 0.858 69.737 68.868 0.019 0.000 1.629 272 T HN 2.048 nan 8.240 nan 0.000 0.494 273 G N 0.600 109.445 108.800 0.074 0.000 2.672 273 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.197 273 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.197 273 G C 0.623 175.581 174.900 0.097 0.000 0.995 273 G CA 0.780 45.953 45.100 0.121 0.000 0.754 273 G HN 0.666 nan 8.290 nan 0.000 0.505 274 E N -0.212 119.986 120.200 -0.004 0.000 2.160 274 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 274 E C 0.930 177.232 176.600 -0.496 0.000 0.991 274 E CA 1.130 57.379 56.400 -0.252 0.000 0.810 274 E CB -0.096 29.375 29.700 -0.383 0.000 0.742 274 E HN 0.754 nan 8.360 nan 0.000 0.466 275 H N -0.859 118.165 119.070 -0.077 0.000 2.467 275 H HA 0.268 4.824 4.556 -0.000 0.000 0.275 275 H C -0.638 174.486 175.328 -0.341 0.000 1.131 275 H CA -0.300 55.688 56.048 -0.101 0.000 0.989 275 H CB 0.433 30.205 29.762 0.017 0.000 1.696 275 H HN -0.098 nan 8.280 nan 0.000 0.574 276 E N 0.558 120.497 120.200 -0.435 0.000 2.263 276 E HA 0.426 4.775 4.350 -0.000 0.000 0.264 276 E C -1.466 174.782 176.600 -0.587 0.000 0.923 276 E CA -1.026 55.021 56.400 -0.589 0.000 0.802 276 E CB 1.176 30.398 29.700 -0.797 0.000 1.228 276 E HN 0.160 nan 8.360 nan 0.000 0.417 277 Y N 0.982 121.318 120.300 0.061 0.000 2.470 277 Y HA 0.439 4.989 4.550 -0.001 0.000 0.341 277 Y C -0.183 175.895 175.900 0.295 0.000 1.021 277 Y CA -0.306 57.953 58.100 0.264 0.000 1.025 277 Y CB 1.961 40.528 38.460 0.178 0.000 1.266 277 Y HN 0.766 nan 8.280 nan 0.000 0.448 278 S N 1.009 116.993 115.700 0.473 0.000 3.662 278 S HA -0.214 4.255 4.470 -0.000 0.000 0.787 278 S C 0.838 175.567 174.600 0.215 0.000 1.315 278 S CA 0.405 58.770 58.200 0.274 0.000 1.186 278 S CB -0.267 63.098 63.200 0.275 0.000 0.500 278 S HN 1.122 nan 8.310 nan 0.000 0.528 279 R N 0.746 121.184 120.500 -0.103 0.000 2.152 279 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 279 R C 1.659 177.865 176.300 -0.156 0.000 1.117 279 R CA 2.109 58.092 56.100 -0.194 0.000 0.981 279 R CB -0.807 29.245 30.300 -0.413 0.000 0.870 279 R HN 0.800 nan 8.270 nan 0.000 0.451 280 Y N 1.394 121.758 120.300 0.107 0.000 2.314 280 Y HA 0.134 4.684 4.550 -0.000 0.000 0.293 280 Y C 2.831 178.784 175.900 0.088 0.000 1.129 280 Y CA 1.065 59.224 58.100 0.097 0.000 1.201 280 Y CB -0.747 37.773 38.460 0.100 0.000 0.999 280 Y HN 0.219 nan 8.280 nan 0.000 0.541 281 G N -0.641 108.296 108.800 0.228 0.000 2.402 281 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 281 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 281 G C 1.298 176.118 174.900 -0.132 0.000 1.162 281 G CA 0.722 45.840 45.100 0.029 0.000 0.777 281 G HN 0.351 nan 8.290 nan 0.000 0.539 282 F N 1.258 121.232 119.950 0.039 0.000 2.512 282 F HA 0.111 4.638 4.527 -0.000 0.000 0.296 282 F C 2.767 178.561 175.800 -0.009 0.000 1.110 282 F CA 0.957 58.956 58.000 -0.002 0.000 1.446 282 F CB -0.005 38.976 39.000 -0.032 0.000 1.092 282 F HN 0.112 nan 8.300 nan 0.000 0.554 283 R N 0.473 121.059 120.500 0.143 0.000 2.127 283 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 283 R C 1.795 178.115 176.300 0.035 0.000 1.134 283 R CA 1.533 57.682 56.100 0.081 0.000 0.975 283 R CB -0.484 29.868 30.300 0.087 0.000 0.865 283 R HN 0.034 nan 8.270 nan 0.000 0.447 284 K N 0.523 120.942 120.400 0.033 0.000 2.097 284 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 284 K C 1.837 178.429 176.600 -0.015 0.000 1.049 284 K CA 1.122 57.413 56.287 0.007 0.000 0.933 284 K CB -0.150 32.355 32.500 0.008 0.000 0.717 284 K HN 0.098 nan 8.250 nan 0.000 0.442 285 L N -0.332 120.880 121.223 -0.018 0.000 2.156 285 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 285 L C 2.023 178.868 176.870 -0.042 0.000 1.095 285 L CA 1.133 55.955 54.840 -0.030 0.000 0.770 285 L CB -0.572 41.478 42.059 -0.015 0.000 0.914 285 L HN 0.127 nan 8.230 nan 0.000 0.439 286 V N -4.090 115.801 119.914 -0.039 0.000 3.129 286 V HA -0.061 4.059 4.120 -0.000 0.000 0.259 286 V C 2.065 178.009 176.094 -0.249 0.000 1.116 286 V CA 0.800 63.029 62.300 -0.119 0.000 1.127 286 V CB -0.314 31.459 31.823 -0.084 0.000 0.742 286 V HN 0.409 nan 8.190 nan 0.000 0.474 287 E N 1.695 121.788 120.200 -0.179 0.000 2.012 287 E HA -0.108 4.241 4.350 -0.000 0.000 0.197 287 E C 2.140 178.636 176.600 -0.174 0.000 1.007 287 E CA 1.824 58.106 56.400 -0.195 0.000 0.816 287 E CB -0.661 28.987 29.700 -0.087 0.000 0.762 287 E HN 0.684 nan 8.360 nan 0.000 0.451 288 G N -0.394 108.349 108.800 -0.094 0.000 2.744 288 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.211 288 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.211 288 G C 0.163 175.031 174.900 -0.053 0.000 1.143 288 G CA 0.172 45.239 45.100 -0.055 0.000 0.788 288 G HN 0.191 nan 8.290 nan 0.000 0.534 289 R N -0.433 120.015 120.500 -0.087 0.000 3.405 289 R HA -0.148 4.192 4.340 -0.000 0.000 0.258 289 R C 0.320 176.614 176.300 -0.010 0.000 1.030 289 R CA 0.567 56.635 56.100 -0.054 0.000 0.691 289 R CB -1.448 28.831 30.300 -0.034 0.000 1.093 289 R HN 0.301 nan 8.270 nan 0.000 0.448 290 N N 0.151 118.844 118.700 -0.012 0.000 2.322 290 N HA 0.092 4.831 4.740 -0.000 0.000 0.194 290 N C -0.196 175.302 175.510 -0.019 0.000 1.126 290 N CA 0.547 53.610 53.050 0.023 0.000 0.845 290 N CB 0.477 39.000 38.487 0.060 0.000 0.976 290 N HN 0.264 nan 8.380 nan 0.000 0.475 291 L N 0.197 121.377 121.223 -0.073 0.000 2.376 291 L HA 0.301 4.640 4.340 -0.000 0.000 0.275 291 L C 0.387 177.220 176.870 -0.061 0.000 0.987 291 L CA -0.517 54.248 54.840 -0.124 0.000 0.828 291 L CB 2.344 44.253 42.059 -0.250 0.000 1.249 291 L HN -0.212 nan 8.230 nan 0.000 0.409 292 D N 2.593 122.972 120.400 -0.034 0.000 2.183 292 D HA 0.096 4.736 4.640 -0.000 0.000 0.203 292 D C 0.026 176.263 176.300 -0.105 0.000 0.969 292 D CA 1.321 55.300 54.000 -0.036 0.000 0.842 292 D CB 0.352 41.154 40.800 0.004 0.000 0.957 292 D HN 0.262 nan 8.370 nan 0.000 0.484 293 I N 0.924 121.386 120.570 -0.179 0.000 2.619 293 I HA 0.302 4.471 4.170 -0.000 0.000 0.292 293 I C -0.813 175.213 176.117 -0.152 0.000 1.100 293 I CA -1.154 60.018 61.300 -0.213 0.000 1.043 293 I CB 2.535 40.287 38.000 -0.413 0.000 1.239 293 I HN -0.143 nan 8.210 nan 0.000 0.420 294 I N 2.385 122.911 120.570 -0.073 0.000 2.437 294 I HA 0.533 4.702 4.170 -0.000 0.000 0.298 294 I C -0.750 175.385 176.117 0.029 0.000 0.984 294 I CA -0.367 60.943 61.300 0.016 0.000 1.214 294 I CB 1.505 39.573 38.000 0.112 0.000 1.365 294 I HN 0.617 nan 8.210 nan 0.000 0.469 295 Q N 5.507 125.367 119.800 0.101 0.000 3.122 295 Q HA 0.423 4.762 4.340 -0.000 0.000 0.282 295 Q C -2.589 173.490 176.000 0.131 0.000 0.947 295 Q CA -1.729 54.136 55.803 0.103 0.000 0.812 295 Q CB 1.230 30.041 28.738 0.123 0.000 1.333 295 Q HN 0.509 nan 8.270 nan 0.000 0.430 296 P HA 0.014 nan 4.420 nan 0.000 0.274 296 P C -0.664 176.661 177.300 0.043 0.000 1.231 296 P CA -0.273 62.838 63.100 0.017 0.000 0.790 296 P CB 0.749 32.188 31.700 -0.434 0.000 0.951 297 D N 1.507 121.960 120.400 0.089 0.000 2.329 297 D HA 0.179 4.818 4.640 -0.000 0.000 0.232 297 D C -0.154 176.237 176.300 0.151 0.000 1.088 297 D CA -0.432 53.656 54.000 0.146 0.000 0.835 297 D CB 0.773 41.622 40.800 0.081 0.000 1.078 297 D HN -0.055 nan 8.370 nan 0.000 0.495 301 L N 0.453 121.917 121.223 0.402 0.000 2.291 301 L HA 0.447 4.787 4.340 -0.000 0.000 0.214 301 L C 1.179 178.248 176.870 0.331 0.000 1.120 301 L CA 2.912 57.967 54.840 0.359 0.000 0.799 301 L CB -0.288 41.905 42.059 0.224 0.000 0.925 301 L HN 0.131 nan 8.230 nan 0.000 0.446 302 G N -1.996 106.965 108.800 0.268 0.000 2.902 302 G HA2 0.289 4.249 3.960 -0.000 0.000 0.215 302 G HA3 0.289 4.249 3.960 -0.000 0.000 0.215 302 G C 0.594 175.636 174.900 0.236 0.000 0.976 302 G CA -0.438 44.872 45.100 0.350 0.000 0.794 302 G HN 1.252 nan 8.290 nan 0.000 0.557 303 G N -1.047 107.804 108.800 0.085 0.000 2.422 303 G HA2 0.227 4.187 3.960 -0.000 0.000 0.607 303 G HA3 0.227 4.187 3.960 -0.000 0.000 0.607 303 G C 0.486 175.337 174.900 -0.081 0.000 1.270 303 G CA -0.024 45.096 45.100 0.033 0.000 0.992 303 G HN 1.370 nan 8.290 nan 0.000 0.499 304 L N 0.275 121.460 121.223 -0.063 0.000 2.056 304 L HA 0.121 4.461 4.340 -0.000 0.000 0.207 304 L C 3.075 179.816 176.870 -0.214 0.000 1.078 304 L CA 3.511 58.223 54.840 -0.213 0.000 0.749 304 L CB -1.080 40.753 42.059 -0.376 0.000 0.901 304 L HN 0.863 nan 8.230 nan 0.000 0.433 305 T N -0.736 113.813 114.554 -0.007 0.000 2.685 305 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 305 T C 1.750 176.282 174.700 -0.279 0.000 1.034 305 T CA 1.884 63.982 62.100 -0.003 0.000 1.149 305 T CB -0.258 68.671 68.868 0.102 0.000 0.860 305 T HN 0.389 nan 8.240 nan 0.000 0.449 306 E N 0.542 120.457 120.200 -0.476 0.000 2.158 306 E HA 0.029 4.379 4.350 -0.000 0.000 0.191 306 E C 1.919 178.289 176.600 -0.383 0.000 0.982 306 E CA 0.266 56.315 56.400 -0.585 0.000 0.823 306 E CB -0.395 28.833 29.700 -0.786 0.000 0.766 306 E HN 0.330 nan 8.360 nan 0.000 0.468 307 L N 0.224 121.229 121.223 -0.363 0.000 2.141 307 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 307 L C 1.837 178.521 176.870 -0.310 0.000 1.094 307 L CA 1.438 56.010 54.840 -0.448 0.000 0.763 307 L CB -0.356 41.316 42.059 -0.646 0.000 0.908 307 L HN 0.242 nan 8.230 nan 0.000 0.437 308 L N -0.610 120.500 121.223 -0.189 0.000 2.042 308 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 308 L C 2.587 179.417 176.870 -0.066 0.000 1.076 308 L CA 1.577 56.397 54.840 -0.033 0.000 0.749 308 L CB -0.592 41.439 42.059 -0.046 0.000 0.893 308 L HN 0.261 nan 8.230 nan 0.000 0.432 309 K N -0.577 119.736 120.400 -0.144 0.000 2.097 309 K HA -0.099 4.220 4.320 -0.000 0.000 0.205 309 K C 2.040 178.558 176.600 -0.137 0.000 1.050 309 K CA 1.019 57.221 56.287 -0.143 0.000 0.938 309 K CB -0.200 32.180 32.500 -0.199 0.000 0.718 309 K HN 0.131 nan 8.250 nan 0.000 0.442 310 V N 1.635 121.435 119.914 -0.191 0.000 2.343 310 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 310 V C 2.401 178.425 176.094 -0.117 0.000 1.051 310 V CA 2.059 64.239 62.300 -0.200 0.000 1.036 310 V CB -0.637 30.930 31.823 -0.427 0.000 0.654 310 V HN 0.341 nan 8.190 nan 0.000 0.451 311 A N -0.164 122.619 122.820 -0.061 0.000 1.930 311 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 311 A C 2.409 179.998 177.584 0.008 0.000 1.175 311 A CA 1.913 53.975 52.037 0.041 0.000 0.627 311 A CB -0.669 18.468 19.000 0.229 0.000 0.815 311 A HN 0.549 nan 8.150 nan 0.000 0.443 312 A N -0.111 122.703 122.820 -0.010 0.000 1.873 312 A HA -0.011 4.308 4.320 -0.000 0.000 0.215 312 A C 2.147 179.726 177.584 -0.007 0.000 1.186 312 A CA 1.648 53.673 52.037 -0.020 0.000 0.616 312 A CB -0.750 18.232 19.000 -0.030 0.000 0.823 312 A HN 0.888 nan 8.150 nan 0.000 0.442 313 L N -0.027 121.198 121.223 0.003 0.000 2.013 313 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 313 L C 2.537 179.483 176.870 0.126 0.000 1.073 313 L CA 2.699 57.575 54.840 0.059 0.000 0.753 313 L CB -0.666 41.420 42.059 0.046 0.000 0.890 313 L HN 0.319 nan 8.230 nan 0.000 0.432 314 A N -0.569 122.299 122.820 0.080 0.000 1.969 314 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 314 A C 2.433 180.066 177.584 0.081 0.000 1.169 314 A CA 1.496 53.592 52.037 0.099 0.000 0.635 314 A CB -1.117 17.906 19.000 0.039 0.000 0.810 314 A HN 0.644 nan 8.150 nan 0.000 0.445 315 A N -0.175 122.657 122.820 0.021 0.000 2.015 315 A HA 0.232 4.552 4.320 -0.000 0.000 0.219 315 A C 2.350 179.904 177.584 -0.050 0.000 1.163 315 A CA 1.643 53.668 52.037 -0.020 0.000 0.646 315 A CB -0.752 18.223 19.000 -0.042 0.000 0.806 315 A HN 1.004 nan 8.150 nan 0.000 0.448 316 A N -1.967 120.806 122.820 -0.078 0.000 2.067 316 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 316 A C 1.483 178.804 177.584 -0.438 0.000 1.158 316 A CA 1.129 53.015 52.037 -0.251 0.000 0.661 316 A CB -0.515 18.298 19.000 -0.312 0.000 0.801 316 A HN 0.588 nan 8.150 nan 0.000 0.452 317 Y N -0.216 120.075 120.300 -0.016 0.000 2.584 317 Y HA 0.168 4.718 4.550 -0.000 0.000 0.254 317 Y C -0.055 175.834 175.900 -0.018 0.000 1.177 317 Y CA -0.831 57.262 58.100 -0.012 0.000 1.216 317 Y CB 0.281 38.739 38.460 -0.005 0.000 1.172 317 Y HN 0.295 nan 8.280 nan 0.000 0.529 318 D N 0.285 120.717 120.400 0.054 0.000 2.701 318 D HA -0.154 4.486 4.640 -0.000 0.000 0.235 318 D C -0.618 175.698 176.300 0.026 0.000 1.155 318 D CA 0.581 54.593 54.000 0.018 0.000 0.649 318 D CB -1.160 39.642 40.800 0.002 0.000 1.050 318 D HN 0.042 nan 8.370 nan 0.000 0.425 319 V N 0.668 120.609 119.914 0.044 0.000 2.406 319 V HA 0.228 4.347 4.120 -0.000 0.000 0.272 319 V C -1.753 174.323 176.094 -0.031 0.000 1.043 319 V CA -1.432 60.874 62.300 0.011 0.000 0.915 319 V CB 1.376 33.217 31.823 0.029 0.000 0.988 319 V HN -0.095 nan 8.190 nan 0.000 0.466 320 P HA 0.043 nan 4.420 nan 0.000 0.262 320 P C -0.538 176.700 177.300 -0.104 0.000 1.182 320 P CA 0.247 63.269 63.100 -0.130 0.000 0.761 320 P CB 0.404 31.989 31.700 -0.192 0.000 0.795 321 V N 5.414 125.280 119.914 -0.079 0.000 2.370 321 V HA 0.234 4.353 4.120 -0.000 0.000 0.279 321 V C 0.266 176.355 176.094 -0.008 0.000 1.029 321 V CA -0.302 61.989 62.300 -0.015 0.000 0.870 321 V CB 1.790 33.665 31.823 0.087 0.000 0.984 321 V HN 0.206 nan 8.190 nan 0.000 0.451 322 V N 7.934 127.854 119.914 0.011 0.000 2.380 322 V HA 0.314 4.434 4.120 -0.000 0.000 0.268 322 V C -2.158 174.039 176.094 0.173 0.000 1.008 322 V CA -1.430 60.924 62.300 0.089 0.000 0.823 322 V CB 1.625 33.518 31.823 0.116 0.000 1.053 322 V HN 0.719 nan 8.190 nan 0.000 0.446 323 P HA 0.059 nan 4.420 nan 0.000 0.272 323 P C -0.069 177.352 177.300 0.201 0.000 1.230 323 P CA -0.140 63.045 63.100 0.142 0.000 0.788 323 P CB 0.618 32.369 31.700 0.085 0.000 0.949 324 H N 1.261 120.382 119.070 0.085 0.000 2.928 324 H HA 0.105 4.660 4.556 -0.001 0.000 0.338 324 H C 0.062 175.441 175.328 0.085 0.000 1.047 324 H CA -0.350 55.749 56.048 0.085 0.000 1.435 324 H CB 0.580 30.360 29.762 0.030 0.000 1.428 324 H HN 0.481 nan 8.280 nan 0.000 0.590 325 A N 4.319 126.895 122.820 -0.408 0.000 2.550 325 A HA 0.021 4.341 4.320 -0.000 0.000 0.263 325 A C 0.383 177.755 177.584 -0.354 0.000 1.065 325 A CA 0.765 52.614 52.037 -0.314 0.000 0.786 325 A CB -0.155 18.637 19.000 -0.347 0.000 0.985 325 A HN 0.726 nan 8.150 nan 0.000 0.518 326 S N 1.854 117.467 115.700 -0.146 0.000 3.025 326 S HA 0.491 4.960 4.470 -0.000 0.000 0.251 326 S C 0.871 175.420 174.600 -0.086 0.000 0.954 326 S CA 0.188 58.379 58.200 -0.016 0.000 1.092 326 S CB -0.117 63.165 63.200 0.136 0.000 1.079 326 S HN 2.263 nan 8.310 nan 0.000 0.543 327 G N 3.056 111.627 108.800 -0.382 0.000 2.575 327 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.267 327 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.267 327 G C -2.206 171.905 174.900 -1.315 0.000 1.264 327 G CA -0.006 44.703 45.100 -0.651 0.000 0.935 327 G HN 0.287 nan 8.290 nan 0.000 0.568 328 P HA -0.075 nan 4.420 nan 0.000 0.218 328 P C 1.449 178.607 177.300 -0.237 0.000 1.146 328 P CA 1.995 64.835 63.100 -0.433 0.000 0.813 328 P CB -0.181 31.433 31.700 -0.143 0.000 0.778 329 Y N 0.167 120.199 120.300 -0.447 0.000 2.207 329 Y HA -0.174 4.376 4.550 -0.001 0.000 0.287 329 Y C 2.497 178.322 175.900 -0.126 0.000 1.156 329 Y CA 1.446 59.204 58.100 -0.569 0.000 1.182 329 Y CB -1.927 36.203 38.460 -0.549 0.000 0.979 329 Y HN 0.080 nan 8.280 nan 0.000 0.521 330 S N -1.613 114.091 115.700 0.006 0.000 2.446 330 S HA -0.091 4.379 4.470 -0.000 0.000 0.225 330 S C 1.531 176.329 174.600 0.330 0.000 1.016 330 S CA 0.621 58.917 58.200 0.160 0.000 0.943 330 S CB -0.703 62.576 63.200 0.133 0.000 0.786 330 S HN 0.341 nan 8.310 nan 0.000 0.508 331 Y N 1.609 122.050 120.300 0.235 0.000 2.286 331 Y HA 0.117 4.667 4.550 -0.001 0.000 0.293 331 Y C 2.445 178.380 175.900 0.059 0.000 1.124 331 Y CA 0.366 58.546 58.100 0.134 0.000 1.178 331 Y CB -1.354 37.165 38.460 0.098 0.000 1.010 331 Y HN 0.368 nan 8.280 nan 0.000 0.536 332 H N -1.765 117.506 119.070 0.335 0.000 2.428 332 H HA -0.101 4.455 4.556 -0.001 0.000 0.296 332 H C 1.908 177.372 175.328 0.227 0.000 1.062 332 H CA 1.668 57.888 56.048 0.286 0.000 1.350 332 H CB -0.446 29.568 29.762 0.421 0.000 1.403 332 H HN 0.278 nan 8.280 nan 0.000 0.533 333 F N 1.252 121.335 119.950 0.222 0.000 2.128 333 F HA -0.154 4.372 4.527 -0.000 0.000 0.295 333 F C 2.361 178.182 175.800 0.035 0.000 1.100 333 F CA 1.178 59.225 58.000 0.079 0.000 1.260 333 F CB -0.138 38.882 39.000 0.032 0.000 1.009 333 F HN -0.012 nan 8.300 nan 0.000 0.476 334 Q N 0.577 120.343 119.800 -0.057 0.000 2.170 334 Q HA -0.151 4.188 4.340 -0.000 0.000 0.203 334 Q C 1.994 177.848 176.000 -0.244 0.000 0.976 334 Q CA 1.763 57.435 55.803 -0.217 0.000 0.858 334 Q CB -0.604 28.136 28.738 0.004 0.000 0.907 334 Q HN 0.617 nan 8.270 nan 0.000 0.433 335 I N -0.363 120.108 120.570 -0.164 0.000 2.928 335 I HA -0.126 4.043 4.170 -0.000 0.000 0.266 335 I C 1.550 177.581 176.117 -0.144 0.000 1.234 335 I CA 1.033 62.227 61.300 -0.177 0.000 1.483 335 I CB -0.011 37.824 38.000 -0.275 0.000 1.097 335 I HN 0.249 nan 8.210 nan 0.000 0.455 336 S N -1.292 114.309 115.700 -0.164 0.000 2.503 336 S HA 0.196 4.666 4.470 -0.000 0.000 0.215 336 S C 0.801 175.298 174.600 -0.173 0.000 1.003 336 S CA -0.374 57.768 58.200 -0.097 0.000 0.910 336 S CB -0.007 63.174 63.200 -0.032 0.000 0.790 336 S HN 0.262 nan 8.310 nan 0.000 0.514 337 Q N 1.220 120.841 119.800 -0.298 0.000 2.306 337 Q HA 0.411 4.751 4.340 -0.000 0.000 0.265 337 Q C -2.156 173.716 176.000 -0.214 0.000 1.022 337 Q CA -2.404 53.225 55.803 -0.291 0.000 0.853 337 Q CB 1.597 30.050 28.738 -0.476 0.000 1.327 337 Q HN 0.077 nan 8.270 nan 0.000 0.449 338 P HA -0.125 nan 4.420 nan 0.000 0.218 338 P C 0.373 177.590 177.300 -0.137 0.000 1.149 338 P CA 1.330 64.355 63.100 -0.125 0.000 0.817 338 P CB 0.343 31.986 31.700 -0.095 0.000 0.785 339 N N -0.381 118.227 118.700 -0.153 0.000 2.389 339 N HA 0.041 4.781 4.740 -0.000 0.000 0.260 339 N C -0.589 174.812 175.510 -0.182 0.000 1.191 339 N CA -0.098 52.868 53.050 -0.140 0.000 0.885 339 N CB -0.438 37.993 38.487 -0.093 0.000 1.162 339 N HN 0.011 nan 8.380 nan 0.000 0.512 340 T N -2.232 112.181 114.554 -0.235 0.000 3.305 340 T HA 0.328 4.678 4.350 -0.000 0.000 0.348 340 T C -2.320 172.200 174.700 -0.300 0.000 1.394 340 T CA -1.085 60.852 62.100 -0.271 0.000 1.549 340 T CB 2.043 70.691 68.868 -0.366 0.000 0.962 340 T HN -0.151 nan 8.240 nan 0.000 0.609 341 P HA 0.146 nan 4.420 nan 0.000 0.221 341 P C 0.008 177.156 177.300 -0.254 0.000 1.155 341 P CA 0.589 63.444 63.100 -0.409 0.000 0.812 341 P CB -0.072 31.285 31.700 -0.571 0.000 0.801 342 F N -1.698 118.275 119.950 0.038 0.000 2.831 342 F HA 0.645 5.172 4.527 -0.000 0.000 0.318 342 F C -0.432 175.434 175.800 0.110 0.000 1.174 342 F CA -1.251 56.812 58.000 0.105 0.000 0.918 342 F CB 0.324 39.552 39.000 0.379 0.000 1.364 342 F HN -0.129 nan 8.300 nan 0.000 0.475 343 Q N -0.682 119.312 119.800 0.322 0.000 2.943 343 Q HA 0.512 4.851 4.340 -0.000 0.000 0.341 343 Q C -1.862 174.143 176.000 0.008 0.000 0.858 343 Q CA -1.138 54.799 55.803 0.224 0.000 0.804 343 Q CB 2.377 31.141 28.738 0.043 0.000 1.399 343 Q HN 0.756 nan 8.270 nan 0.000 0.511 344 E N -0.035 120.123 120.200 -0.070 0.000 2.179 344 E HA 0.356 4.706 4.350 -0.000 0.000 0.275 344 E C -1.915 174.791 176.600 0.176 0.000 0.945 344 E CA -0.671 55.503 56.400 -0.377 0.000 0.792 344 E CB 1.222 30.775 29.700 -0.245 0.000 1.125 344 E HN 0.526 nan 8.360 nan 0.000 0.397 345 Y N 3.530 123.846 120.300 0.025 0.000 2.409 345 Y HA 0.336 4.886 4.550 -0.001 0.000 0.343 345 Y C -1.115 174.706 175.900 -0.131 0.000 0.973 345 Y CA -1.052 57.079 58.100 0.051 0.000 1.064 345 Y CB 1.340 39.871 38.460 0.118 0.000 1.207 345 Y HN 0.477 nan 8.280 nan 0.000 0.452 346 L N 5.433 126.412 121.223 -0.408 0.000 2.281 346 L HA 0.618 4.958 4.340 -0.000 0.000 0.285 346 L C -0.105 176.738 176.870 -0.044 0.000 1.074 346 L CA -0.243 54.490 54.840 -0.179 0.000 0.817 346 L CB 0.645 42.597 42.059 -0.179 0.000 1.168 346 L HN 0.760 nan 8.230 nan 0.000 0.434 347 A N 4.553 127.409 122.820 0.060 0.000 2.770 347 A HA 0.144 4.464 4.320 -0.000 0.000 0.292 347 A C 0.585 178.377 177.584 0.346 0.000 1.604 347 A CA -0.074 52.039 52.037 0.127 0.000 1.271 347 A CB -1.078 17.903 19.000 -0.031 0.000 1.075 347 A HN 0.810 nan 8.150 nan 0.000 0.573 348 N N 1.323 120.167 118.700 0.239 0.000 2.295 348 N HA 0.001 4.741 4.740 -0.000 0.000 0.221 348 N C 0.012 175.605 175.510 0.138 0.000 1.129 348 N CA 0.327 53.525 53.050 0.247 0.000 0.836 348 N CB -0.192 38.350 38.487 0.092 0.000 1.040 348 N HN 0.439 nan 8.380 nan 0.000 0.494 349 S N -0.383 115.385 115.700 0.112 0.000 2.601 349 S HA 0.366 4.836 4.470 -0.000 0.000 0.271 349 S C -1.645 172.836 174.600 -0.198 0.000 1.305 349 S CA -0.978 57.184 58.200 -0.063 0.000 1.022 349 S CB 1.691 64.891 63.200 0.001 0.000 0.940 349 S HN -0.150 nan 8.310 nan 0.000 0.525 350 P HA -0.181 nan 4.420 nan 0.000 0.216 350 P C 0.629 177.998 177.300 0.116 0.000 1.154 350 P CA 1.782 64.709 63.100 -0.287 0.000 0.865 350 P CB -0.232 31.373 31.700 -0.158 0.000 0.789 351 D N -2.183 118.251 120.400 0.056 0.000 2.269 351 D HA 0.058 4.698 4.640 -0.000 0.000 0.208 351 D C 1.384 177.689 176.300 0.008 0.000 0.963 351 D CA 1.004 55.035 54.000 0.052 0.000 0.864 351 D CB -1.117 39.686 40.800 0.005 0.000 0.936 351 D HN 0.214 nan 8.370 nan 0.000 0.505 352 G N 0.214 109.038 108.800 0.040 0.000 2.147 352 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.244 352 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.244 352 G C 0.720 175.542 174.900 -0.130 0.000 1.005 352 G CA 0.437 45.451 45.100 -0.143 0.000 0.713 352 G HN 0.438 nan 8.290 nan 0.000 0.515 353 K N -0.478 119.891 120.400 -0.052 0.000 2.438 353 K HA 0.331 4.651 4.320 -0.000 0.000 0.206 353 K C 0.758 177.348 176.600 -0.018 0.000 1.081 353 K CA 0.700 56.956 56.287 -0.052 0.000 1.053 353 K CB 0.820 33.292 32.500 -0.048 0.000 0.908 353 K HN 0.626 nan 8.250 nan 0.000 0.556 354 S N -0.539 115.165 115.700 0.006 0.000 2.638 354 S HA 0.544 5.014 4.470 -0.000 0.000 0.274 354 S C -0.581 174.059 174.600 0.067 0.000 1.157 354 S CA -0.987 57.231 58.200 0.030 0.000 0.826 354 S CB 1.755 64.963 63.200 0.015 0.000 1.139 354 S HN -0.068 nan 8.310 nan 0.000 0.474 355 V N 0.087 120.053 119.914 0.087 0.000 2.435 355 V HA 0.794 4.914 4.120 -0.000 0.000 0.290 355 V C -0.681 175.488 176.094 0.126 0.000 1.030 355 V CA -0.671 61.723 62.300 0.156 0.000 0.881 355 V CB 0.344 32.262 31.823 0.158 0.000 0.983 355 V HN 0.885 nan 8.190 nan 0.000 0.445 356 L N 4.045 125.380 121.223 0.186 0.000 2.301 356 L HA 0.675 5.015 4.340 -0.000 0.000 0.264 356 L C -2.526 174.448 176.870 0.173 0.000 1.016 356 L CA -2.316 52.599 54.840 0.124 0.000 0.821 356 L CB 2.615 44.720 42.059 0.076 0.000 1.346 356 L HN 0.369 nan 8.230 nan 0.000 0.429 357 P HA -0.042 nan 4.420 nan 0.000 0.265 357 P C 0.817 178.129 177.300 0.019 0.000 1.193 357 P CA -0.207 62.967 63.100 0.124 0.000 0.765 357 P CB 0.613 32.391 31.700 0.129 0.000 0.823 358 V N -0.049 119.780 119.914 -0.142 0.000 2.667 358 V HA -0.129 3.991 4.120 -0.000 0.000 0.252 358 V C 0.977 176.790 176.094 -0.468 0.000 1.065 358 V CA 1.634 63.669 62.300 -0.442 0.000 1.083 358 V CB -1.431 29.938 31.823 -0.756 0.000 0.692 358 V HN 0.284 nan 8.190 nan 0.000 0.468 359 F N 1.855 121.850 119.950 0.075 0.000 2.639 359 F HA 0.733 5.259 4.527 -0.001 0.000 0.300 359 F C 1.730 177.523 175.800 -0.012 0.000 1.109 359 F CA -0.163 57.857 58.000 0.034 0.000 1.335 359 F CB -0.284 38.789 39.000 0.122 0.000 1.014 359 F HN 0.439 nan 8.300 nan 0.000 0.537 360 G N 2.053 110.923 108.800 0.116 0.000 2.561 360 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.289 360 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.289 360 G C 0.508 175.447 174.900 0.065 0.000 1.169 360 G CA 0.616 45.761 45.100 0.074 0.000 0.980 360 G HN 0.460 nan 8.290 nan 0.000 0.550 361 D N 0.363 120.775 120.400 0.020 0.000 2.340 361 D HA 0.382 5.022 4.640 -0.000 0.000 0.217 361 D C 1.990 178.255 176.300 -0.058 0.000 1.081 361 D CA 0.593 54.596 54.000 0.004 0.000 0.842 361 D CB 0.446 41.246 40.800 -0.000 0.000 0.934 361 D HN 0.490 nan 8.370 nan 0.000 0.511 362 L N -0.558 120.570 121.223 -0.158 0.000 2.141 362 L HA 0.220 4.559 4.340 -0.000 0.000 0.209 362 L C -0.430 176.144 176.870 -0.493 0.000 1.094 362 L CA 1.233 55.818 54.840 -0.426 0.000 0.763 362 L CB -0.194 41.442 42.059 -0.705 0.000 0.908 362 L HN -0.074 nan 8.230 nan 0.000 0.437 363 F N -1.229 118.773 119.950 0.087 0.000 2.522 363 F HA 0.323 4.850 4.527 -0.000 0.000 0.324 363 F C 1.222 177.074 175.800 0.087 0.000 1.077 363 F CA -0.809 57.250 58.000 0.099 0.000 0.944 363 F CB 0.955 40.051 39.000 0.159 0.000 1.175 363 F HN -0.121 nan 8.300 nan 0.000 0.468 364 I N -1.314 119.428 120.570 0.286 0.000 2.876 364 I HA 0.076 4.246 4.170 -0.000 0.000 0.264 364 I C 0.251 176.461 176.117 0.155 0.000 1.204 364 I CA 0.885 62.288 61.300 0.170 0.000 1.485 364 I CB -0.171 37.905 38.000 0.128 0.000 1.103 364 I HN 0.491 nan 8.210 nan 0.000 0.446 365 D N 0.172 120.683 120.400 0.186 0.000 2.865 365 D HA 0.102 4.741 4.640 -0.000 0.000 0.347 365 D C -0.151 176.228 176.300 0.131 0.000 1.498 365 D CA -0.363 53.715 54.000 0.131 0.000 0.787 365 D CB -0.674 40.190 40.800 0.107 0.000 1.190 365 D HN 0.367 nan 8.370 nan 0.000 0.445 366 E N 2.278 122.584 120.200 0.176 0.000 2.366 366 E HA 0.140 4.489 4.350 -0.000 0.000 0.266 366 E C -2.004 174.672 176.600 0.126 0.000 1.015 366 E CA -1.383 55.124 56.400 0.179 0.000 0.906 366 E CB 0.929 30.789 29.700 0.266 0.000 0.979 366 E HN 0.109 nan 8.360 nan 0.000 0.443 367 P HA 0.181 nan 4.420 nan 0.000 0.276 367 P C -0.725 176.572 177.300 -0.005 0.000 1.243 367 P CA 0.247 63.379 63.100 0.053 0.000 0.768 367 P CB 0.417 32.164 31.700 0.078 0.000 0.856 368 I N 6.097 126.565 120.570 -0.169 0.000 2.436 368 I HA 0.269 4.439 4.170 -0.000 0.000 0.289 368 I C -2.002 173.767 176.117 -0.579 0.000 1.010 368 I CA -2.495 58.588 61.300 -0.363 0.000 1.098 368 I CB 2.555 40.419 38.000 -0.226 0.000 1.266 368 I HN 0.162 nan 8.210 nan 0.000 0.434 369 P HA 0.058 nan 4.420 nan 0.000 0.237 369 P C 0.943 177.786 177.300 -0.762 0.000 1.788 369 P CA -0.193 62.333 63.100 -0.957 0.000 1.061 369 P CB -0.194 30.637 31.700 -1.447 0.000 1.967 370 T N -1.014 113.214 114.554 -0.543 0.000 2.915 370 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 370 T C 1.224 175.688 174.700 -0.393 0.000 1.071 370 T CA 1.033 62.917 62.100 -0.360 0.000 1.132 370 T CB -0.362 68.360 68.868 -0.243 0.000 0.878 370 T HN 0.196 nan 8.240 nan 0.000 0.479 371 K N 0.541 120.629 120.400 -0.521 0.000 2.399 371 K HA 0.448 4.768 4.320 -0.000 0.000 0.204 371 K C 1.202 177.494 176.600 -0.514 0.000 1.023 371 K CA 0.198 56.227 56.287 -0.429 0.000 1.127 371 K CB 0.463 32.785 32.500 -0.296 0.000 0.856 371 K HN 0.441 nan 8.250 nan 0.000 0.514 372 G N 1.471 109.691 108.800 -0.967 0.000 2.143 372 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.249 372 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.249 372 G C -0.333 174.426 174.900 -0.234 0.000 0.981 372 G CA 0.767 45.161 45.100 -1.177 0.000 0.665 372 G HN 0.445 nan 8.290 nan 0.000 0.528 373 Y N -2.212 117.912 120.300 -0.294 0.000 2.625 373 Y HA 0.827 5.376 4.550 -0.000 0.000 0.338 373 Y C -0.721 175.105 175.900 -0.124 0.000 1.123 373 Y CA -2.002 56.095 58.100 -0.005 0.000 1.046 373 Y CB 1.113 39.575 38.460 0.004 0.000 1.299 373 Y HN 0.192 nan 8.280 nan 0.000 0.464 374 L N 1.666 122.990 121.223 0.169 0.000 2.327 374 L HA 0.812 5.152 4.340 -0.000 0.000 0.258 374 L C -0.453 176.499 176.870 0.137 0.000 1.024 374 L CA -1.007 53.826 54.840 -0.011 0.000 0.825 374 L CB 2.935 44.913 42.059 -0.134 0.000 1.386 374 L HN 0.996 nan 8.230 nan 0.000 0.417 375 T N -4.681 109.901 114.554 0.048 0.000 2.940 375 T HA 0.265 4.615 4.350 -0.000 0.000 0.288 375 T C 0.930 175.589 174.700 -0.067 0.000 1.045 375 T CA 0.065 62.183 62.100 0.030 0.000 1.018 375 T CB 1.595 70.504 68.868 0.067 0.000 1.151 375 T HN 0.764 nan 8.240 nan 0.000 0.529 376 T N -1.261 113.239 114.554 -0.091 0.000 2.881 376 T HA -0.038 4.311 4.350 -0.000 0.000 0.270 376 T C 2.281 176.959 174.700 -0.037 0.000 1.068 376 T CA 0.986 62.989 62.100 -0.161 0.000 1.131 376 T CB -0.927 67.892 68.868 -0.082 0.000 0.871 376 T HN 0.850 nan 8.240 nan 0.000 0.479 377 A N 2.319 125.145 122.820 0.009 0.000 1.972 377 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 377 A C 2.197 179.800 177.584 0.031 0.000 1.169 377 A CA 1.596 53.656 52.037 0.039 0.000 0.635 377 A CB -0.710 18.310 19.000 0.032 0.000 0.810 377 A HN 0.538 nan 8.150 nan 0.000 0.446 378 D N -0.098 120.299 120.400 -0.006 0.000 2.219 378 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 378 D C 1.499 177.811 176.300 0.020 0.000 0.970 378 D CA 0.917 54.910 54.000 -0.010 0.000 0.851 378 D CB -0.066 40.698 40.800 -0.059 0.000 0.943 378 D HN 0.471 nan 8.370 nan 0.000 0.488 379 L N 0.557 121.778 121.223 -0.002 0.000 2.592 379 L HA 0.059 4.399 4.340 -0.000 0.000 0.227 379 L C 0.293 177.322 176.870 0.265 0.000 1.127 379 L CA 0.070 54.935 54.840 0.041 0.000 0.884 379 L CB 0.212 42.084 42.059 -0.312 0.000 1.065 379 L HN -0.309 nan 8.230 nan 0.000 0.457 380 D N 2.373 122.895 120.400 0.204 0.000 2.767 380 D HA 0.159 4.798 4.640 -0.000 0.000 0.231 380 D C 0.110 176.495 176.300 0.143 0.000 1.105 380 D CA 0.591 54.711 54.000 0.200 0.000 1.024 380 D CB 0.107 40.996 40.800 0.148 0.000 1.123 380 D HN 0.205 nan 8.370 nan 0.000 0.470 381 K N 0.580 121.080 120.400 0.167 0.000 2.477 381 K HA 0.429 4.749 4.320 -0.000 0.000 0.255 381 K C -2.751 173.908 176.600 0.098 0.000 0.952 381 K CA -2.035 54.321 56.287 0.115 0.000 0.826 381 K CB 2.665 35.231 32.500 0.111 0.000 1.331 381 K HN -0.147 nan 8.250 nan 0.000 0.437 382 P HA 0.048 nan 4.420 nan 0.000 0.271 382 P C 0.384 177.660 177.300 -0.040 0.000 1.216 382 P CA 0.568 63.671 63.100 0.005 0.000 0.776 382 P CB 0.760 32.459 31.700 -0.001 0.000 0.881 383 G N 2.276 111.009 108.800 -0.111 0.000 2.550 383 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.277 383 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.277 383 G C 0.338 175.013 174.900 -0.376 0.000 1.190 383 G CA -0.022 44.922 45.100 -0.260 0.000 0.971 383 G HN 0.385 nan 8.290 nan 0.000 0.559 384 F N 3.002 122.831 119.950 -0.202 0.000 2.797 384 F HA 0.409 4.936 4.527 -0.000 0.000 0.302 384 F C 2.279 178.054 175.800 -0.042 0.000 1.130 384 F CA 1.286 59.148 58.000 -0.230 0.000 1.387 384 F CB 0.248 39.136 39.000 -0.186 0.000 1.107 384 F HN 1.691 nan 8.300 nan 0.000 0.577 385 G N 0.767 109.623 108.800 0.093 0.000 2.148 385 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 385 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 385 G C 0.084 175.000 174.900 0.027 0.000 0.981 385 G CA -0.084 45.074 45.100 0.097 0.000 0.670 385 G HN 0.279 nan 8.290 nan 0.000 0.528 386 L N 1.947 123.119 121.223 -0.085 0.000 2.272 386 L HA 0.556 4.896 4.340 -0.000 0.000 0.289 386 L C 0.572 177.494 176.870 0.087 0.000 1.032 386 L CA -0.522 54.210 54.840 -0.180 0.000 0.810 386 L CB 1.609 43.232 42.059 -0.727 0.000 1.205 386 L HN 0.221 nan 8.230 nan 0.000 0.422 387 T N 1.480 116.158 114.554 0.206 0.000 2.859 387 T HA 0.513 4.863 4.350 -0.000 0.000 0.281 387 T C -0.192 174.766 174.700 0.430 0.000 1.005 387 T CA -0.561 61.745 62.100 0.343 0.000 1.025 387 T CB 2.284 71.280 68.868 0.213 0.000 0.977 387 T HN 0.405 nan 8.240 nan 0.000 0.458 388 I N 2.573 123.350 120.570 0.345 0.000 2.395 388 I HA 0.253 4.422 4.170 -0.000 0.000 0.289 388 I C 0.142 176.304 176.117 0.074 0.000 1.023 388 I CA -0.596 60.823 61.300 0.197 0.000 1.350 388 I CB 0.639 38.521 38.000 -0.197 0.000 1.409 388 I HN 0.552 nan 8.210 nan 0.000 0.507 389 N N 9.834 128.551 118.700 0.028 0.000 2.431 389 N HA 0.163 4.902 4.740 -0.000 0.000 0.265 389 N C -1.764 173.721 175.510 -0.042 0.000 1.184 389 N CA -2.037 51.015 53.050 0.003 0.000 0.943 389 N CB 1.019 39.499 38.487 -0.012 0.000 1.080 389 N HN 0.399 nan 8.380 nan 0.000 0.477 390 P HA -0.061 nan 4.420 nan 0.000 0.223 390 P C 0.752 178.029 177.300 -0.039 0.000 1.151 390 P CA 0.625 63.703 63.100 -0.038 0.000 0.787 390 P CB 0.186 31.876 31.700 -0.016 0.000 0.788 391 A N 1.117 123.921 122.820 -0.027 0.000 1.908 391 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 391 A C 2.322 179.879 177.584 -0.044 0.000 1.181 391 A CA 2.134 54.155 52.037 -0.027 0.000 0.627 391 A CB -1.442 17.549 19.000 -0.015 0.000 0.818 391 A HN 0.263 nan 8.150 nan 0.000 0.445 392 A N -1.458 121.323 122.820 -0.064 0.000 2.275 392 A HA 0.188 4.508 4.320 -0.000 0.000 0.212 392 A C 1.904 179.417 177.584 -0.118 0.000 1.201 392 A CA 0.198 52.181 52.037 -0.089 0.000 0.843 392 A CB -0.322 18.608 19.000 -0.117 0.000 0.873 392 A HN 0.467 nan 8.150 nan 0.000 0.492 393 R N -0.538 119.891 120.500 -0.117 0.000 2.189 393 R HA -0.031 4.308 4.340 -0.000 0.000 0.218 393 R C 2.201 178.427 176.300 -0.124 0.000 1.074 393 R CA 0.947 56.955 56.100 -0.153 0.000 0.991 393 R CB -0.155 30.063 30.300 -0.138 0.000 0.883 393 R HN 0.520 nan 8.270 nan 0.000 0.457 394 A N 1.129 123.903 122.820 -0.077 0.000 1.930 394 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 394 A C 1.856 179.418 177.584 -0.037 0.000 1.175 394 A CA 1.073 53.081 52.037 -0.047 0.000 0.627 394 A CB -0.130 18.852 19.000 -0.030 0.000 0.815 394 A HN 0.136 nan 8.150 nan 0.000 0.443 395 K N -0.461 119.912 120.400 -0.046 0.000 2.283 395 K HA 0.048 4.368 4.320 -0.000 0.000 0.202 395 K C -0.286 176.311 176.600 -0.005 0.000 1.048 395 K CA 0.220 56.493 56.287 -0.024 0.000 0.948 395 K CB -0.315 32.166 32.500 -0.031 0.000 0.742 395 K HN 0.462 nan 8.250 nan 0.000 0.458 396 L N 2.678 123.872 121.223 -0.047 0.000 2.536 396 L HA 0.134 4.474 4.340 -0.000 0.000 0.282 396 L C -0.055 176.889 176.870 0.124 0.000 1.147 396 L CA -0.211 54.622 54.840 -0.011 0.000 0.936 396 L CB -0.213 41.675 42.059 -0.284 0.000 1.279 396 L HN -0.002 nan 8.230 nan 0.000 0.461 397 I N 5.790 126.485 120.570 0.208 0.000 2.436 397 I HA 0.156 4.326 4.170 -0.000 0.000 0.289 397 I C -1.861 174.506 176.117 0.416 0.000 1.083 397 I CA -1.655 59.794 61.300 0.249 0.000 1.372 397 I CB 0.473 38.584 38.000 0.184 0.000 1.408 397 I HN 0.306 nan 8.210 nan 0.000 0.516 398 P HA -0.000 nan 4.420 nan 0.000 0.269 398 P C 0.371 177.831 177.300 0.266 0.000 1.209 398 P CA -0.106 63.195 63.100 0.334 0.000 0.776 398 P CB 0.592 32.456 31.700 0.274 0.000 0.876 399 S N -0.007 115.770 115.700 0.128 0.000 2.650 399 S HA -0.032 4.438 4.470 -0.000 0.000 0.219 399 S C 0.921 175.536 174.600 0.025 0.000 0.960 399 S CA 0.223 58.481 58.200 0.097 0.000 0.925 399 S CB -0.743 62.543 63.200 0.143 0.000 0.775 399 S HN 0.288 nan 8.310 nan 0.000 0.525 400 D N 2.097 122.582 120.400 0.141 0.000 2.218 400 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 400 D C 1.636 178.021 176.300 0.143 0.000 0.976 400 D CA 1.340 55.450 54.000 0.182 0.000 0.853 400 D CB -0.582 40.293 40.800 0.126 0.000 0.939 400 D HN 0.843 nan 8.370 nan 0.000 0.481 401 Y N 0.303 120.624 120.300 0.036 0.000 2.333 401 Y HA -0.024 4.526 4.550 -0.000 0.000 0.290 401 Y C 1.914 177.774 175.900 -0.066 0.000 1.144 401 Y CA 0.643 58.744 58.100 0.001 0.000 1.228 401 Y CB -0.811 37.652 38.460 0.004 0.000 0.985 401 Y HN -0.103 nan 8.280 nan 0.000 0.542 402 L N -0.819 119.896 121.223 -0.847 0.000 2.376 402 L HA -0.036 4.304 4.340 -0.000 0.000 0.219 402 L C 0.560 177.059 176.870 -0.619 0.000 1.133 402 L CA 0.703 55.042 54.840 -0.836 0.000 0.816 402 L CB -0.335 41.095 42.059 -1.050 0.000 0.933 402 L HN 0.220 nan 8.230 nan 0.000 0.449 403 F N -1.155 118.761 119.950 -0.057 0.000 2.708 403 F HA 0.229 4.755 4.527 -0.000 0.000 0.300 403 F C 0.637 176.430 175.800 -0.012 0.000 1.118 403 F CA -0.507 57.473 58.000 -0.034 0.000 1.307 403 F CB -0.064 38.857 39.000 -0.132 0.000 0.986 403 F HN -0.262 nan 8.300 nan 0.000 0.522 404 K N 1.561 122.026 120.400 0.108 0.000 2.291 404 K HA 0.305 4.625 4.320 -0.000 0.000 0.242 404 K C -0.545 176.098 176.600 0.072 0.000 1.098 404 K CA -0.246 56.097 56.287 0.093 0.000 1.036 404 K CB 1.017 33.574 32.500 0.095 0.000 1.655 404 K HN 0.055 nan 8.250 nan 0.000 0.432 405 V N 4.783 124.741 119.914 0.073 0.000 2.385 405 V HA 0.415 4.534 4.120 -0.000 0.000 0.269 405 V C -1.940 174.179 176.094 0.041 0.000 1.043 405 V CA -1.761 60.574 62.300 0.058 0.000 0.906 405 V CB 0.438 32.303 31.823 0.070 0.000 0.995 405 V HN 0.595 nan 8.190 nan 0.000 0.467 406 P HA 0.375 nan 4.420 nan 0.000 0.274 406 P C -0.508 176.803 177.300 0.018 0.000 1.237 406 P CA -0.309 62.805 63.100 0.024 0.000 0.793 406 P CB 1.068 32.780 31.700 0.020 0.000 0.977 407 E N 0.000 120.208 120.200 0.014 0.000 2.725 407 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 407 E CA 0.000 56.406 56.400 0.010 0.000 0.976 407 E CB 0.000 29.705 29.700 0.008 0.000 0.812 407 E HN 0.000 nan 8.360 nan 0.000 0.440