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 2wrc_1_A DATA FIRST_RESID 9 DATA SEQUENCE IGYHANNSTE KVDTILERNV TVTHAKDILE KTHNGKLcKL NGIPPLELGD DATA SEQUENCE cSIAGWLLGN PEcDRLLSVP EWSYIMEKEN PRDGLcYPGS FNDYEELKHL DATA SEQUENCE LSSVKHFEKV KILPKDRWTQ HTTTGGSRAc AVSGNPSFFR NMVWLTEKGS DATA SEQUENCE NYPVAKGSYN NTSGEQMLII WGVHHPNDET EQRTLYQNVG TYVSVGTSTL DATA SEQUENCE NKRSTPDIAT RPKVNGLGSR MEFSWTLLDM WDTINFESTG NLIAPEYGFK DATA SEQUENCE ISKRGSSGIM KTEGTLENcE TKcQTPLGAI NTTLPFHNVH PLTIGEcPKY DATA SEQUENCE VKSEKLVLAT GLRNVPXXXX XGLFGAIAGF IEGGWQGMID GWYGYHHSND DATA SEQUENCE QGSGYAADKE STQKAFDGIT NKVNSVIEKM NTQFEAVGKE FSNLERRLEN DATA SEQUENCE LNKKMEDGFL DVWTYNAELL VLMENERTLD FHDSNVKNLY DKVRMQLRDN DATA SEQUENCE VKELGNGCFE FYHKcDDEcM NSVKNGTYD 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 9 I HA 0.000 nan 4.170 nan 0.000 0.288 9 I C 0.000 176.200 176.117 0.138 0.000 1.063 9 I CA 0.000 61.579 61.300 0.465 0.000 1.566 9 I CB 0.000 38.291 38.000 0.485 0.000 1.214 10 G N 3.336 111.933 108.800 -0.340 0.000 2.663 10 G HA2 0.769 4.730 3.960 0.003 0.000 0.299 10 G HA3 0.769 4.730 3.960 0.003 0.000 0.299 10 G C -2.091 172.365 174.900 -0.740 0.000 1.372 10 G CA -0.631 43.745 45.100 -1.206 0.000 0.781 10 G HN 0.640 nan 8.290 nan 0.000 0.491 11 Y N -1.912 117.929 120.300 -0.765 0.000 2.605 11 Y HA 0.783 5.335 4.550 0.003 0.000 0.343 11 Y C -0.081 175.710 175.900 -0.181 0.000 1.036 11 Y CA -1.548 56.391 58.100 -0.268 0.000 1.065 11 Y CB 1.003 39.371 38.460 -0.153 0.000 1.288 11 Y HN 0.795 nan 8.280 nan 0.000 0.481 12 H N 1.235 120.353 119.070 0.080 0.000 2.771 12 H HA 0.654 5.212 4.556 0.003 0.000 0.364 12 H C -0.977 174.375 175.328 0.040 0.000 1.133 12 H CA 0.445 56.537 56.048 0.073 0.000 1.423 12 H CB 0.771 30.645 29.762 0.187 0.000 1.425 12 H HN 1.031 nan 8.280 nan 0.000 0.606 13 A N 3.961 126.331 122.820 -0.751 0.000 2.572 13 A HA 0.545 4.867 4.320 0.003 0.000 0.295 13 A C -1.142 176.026 177.584 -0.693 0.000 1.072 13 A CA -0.451 51.239 52.037 -0.578 0.000 0.691 13 A CB 1.467 20.299 19.000 -0.279 0.000 1.291 13 A HN 1.012 nan 8.150 nan 0.000 0.404 14 N N -0.647 117.821 118.700 -0.387 0.000 3.316 14 N HA 0.290 5.032 4.740 0.003 0.000 0.300 14 N C -0.303 175.138 175.510 -0.115 0.000 1.567 14 N CA -0.227 52.700 53.050 -0.205 0.000 0.821 14 N CB 0.116 38.548 38.487 -0.092 0.000 1.748 14 N HN 0.404 nan 8.380 nan 0.000 0.603 15 N N -1.334 117.329 118.700 -0.061 0.000 2.383 15 N HA 0.052 4.794 4.740 0.003 0.000 0.192 15 N C -0.269 175.215 175.510 -0.042 0.000 1.141 15 N CA -0.203 52.821 53.050 -0.043 0.000 0.851 15 N CB -0.299 38.176 38.487 -0.020 0.000 0.976 15 N HN 0.512 nan 8.380 nan 0.000 0.465 16 S N 0.004 115.667 115.700 -0.063 0.000 2.568 16 S HA 0.195 4.667 4.470 0.003 0.000 0.282 16 S C 0.862 175.432 174.600 -0.050 0.000 1.338 16 S CA 0.263 58.428 58.200 -0.058 0.000 1.045 16 S CB 0.353 63.493 63.200 -0.100 0.000 0.873 16 S HN 0.524 nan 8.310 nan 0.000 0.516 17 T N 0.161 114.695 114.554 -0.033 0.000 3.209 17 T HA 0.294 4.646 4.350 0.003 0.000 0.295 17 T C -0.050 174.638 174.700 -0.020 0.000 0.977 17 T CA -0.449 61.634 62.100 -0.027 0.000 0.922 17 T CB -0.121 68.736 68.868 -0.019 0.000 1.152 17 T HN 0.611 nan 8.240 nan 0.000 0.527 18 E N 2.703 122.892 120.200 -0.019 0.000 2.417 18 E HA 0.193 4.545 4.350 0.003 0.000 0.261 18 E C -0.281 176.312 176.600 -0.012 0.000 1.000 18 E CA 0.192 56.587 56.400 -0.007 0.000 0.919 18 E CB 0.430 30.132 29.700 0.004 0.000 0.955 18 E HN 0.198 nan 8.360 nan 0.000 0.455 19 K N 3.238 123.633 120.400 -0.008 0.000 2.164 19 K HA 0.449 4.771 4.320 0.003 0.000 0.258 19 K C -0.577 176.019 176.600 -0.007 0.000 0.951 19 K CA -0.868 55.412 56.287 -0.011 0.000 0.844 19 K CB 1.701 34.193 32.500 -0.013 0.000 1.099 19 K HN 0.442 nan 8.250 nan 0.000 0.435 20 V N -1.691 118.217 119.914 -0.009 0.000 3.141 20 V HA 0.596 4.718 4.120 0.003 0.000 0.312 20 V C -0.946 175.139 176.094 -0.015 0.000 1.157 20 V CA -0.953 61.342 62.300 -0.008 0.000 1.041 20 V CB 2.385 34.208 31.823 0.000 0.000 1.071 20 V HN 0.562 nan 8.190 nan 0.000 0.441 21 D N 1.403 121.792 120.400 -0.018 0.000 2.350 21 D HA 0.679 5.321 4.640 0.003 0.000 0.245 21 D C -0.045 176.240 176.300 -0.025 0.000 1.036 21 D CA 0.085 54.071 54.000 -0.024 0.000 0.848 21 D CB 2.250 43.032 40.800 -0.031 0.000 1.307 21 D HN 1.084 nan 8.370 nan 0.000 0.469 22 T N -2.018 112.521 114.554 -0.026 0.000 2.870 22 T HA 0.448 4.800 4.350 0.003 0.000 0.277 22 T C 1.498 176.178 174.700 -0.033 0.000 1.000 22 T CA -0.720 61.364 62.100 -0.027 0.000 0.982 22 T CB 0.785 69.641 68.868 -0.021 0.000 1.249 22 T HN 0.232 nan 8.240 nan 0.000 0.589 23 I N 0.192 120.741 120.570 -0.034 0.000 2.546 23 I HA -0.006 4.166 4.170 0.003 0.000 0.255 23 I C 1.841 177.940 176.117 -0.031 0.000 1.163 23 I CA 1.128 62.406 61.300 -0.037 0.000 1.457 23 I CB -0.246 37.732 38.000 -0.038 0.000 1.092 23 I HN 0.558 nan 8.210 nan 0.000 0.434 24 L N -0.614 120.592 121.223 -0.028 0.000 2.408 24 L HA 0.138 4.480 4.340 0.003 0.000 0.215 24 L C 0.588 177.442 176.870 -0.025 0.000 1.081 24 L CA 0.366 55.190 54.840 -0.026 0.000 0.840 24 L CB 0.049 42.092 42.059 -0.027 0.000 1.002 24 L HN 0.123 nan 8.230 nan 0.000 0.468 25 E N 0.242 120.427 120.200 -0.026 0.000 2.393 25 E HA 0.588 4.940 4.350 0.003 0.000 0.265 25 E C -0.896 175.689 176.600 -0.025 0.000 0.941 25 E CA -0.875 55.510 56.400 -0.025 0.000 0.801 25 E CB 2.055 31.740 29.700 -0.025 0.000 1.313 25 E HN 0.061 nan 8.360 nan 0.000 0.435 26 R N 0.042 120.528 120.500 -0.023 0.000 2.817 26 R HA 0.452 4.794 4.340 0.003 0.000 0.268 26 R C -0.597 175.690 176.300 -0.021 0.000 1.027 26 R CA -1.081 55.005 56.100 -0.023 0.000 0.928 26 R CB 0.437 30.723 30.300 -0.023 0.000 1.228 26 R HN 0.418 nan 8.270 nan 0.000 0.469 27 N N -0.798 117.889 118.700 -0.020 0.000 2.716 27 N HA -0.133 4.609 4.740 0.003 0.000 0.250 27 N C -0.886 174.612 175.510 -0.021 0.000 1.033 27 N CA 0.649 53.688 53.050 -0.019 0.000 0.727 27 N CB -1.123 37.353 38.487 -0.018 0.000 0.950 27 N HN 0.405 nan 8.380 nan 0.000 0.541 28 V N 0.902 120.803 119.914 -0.022 0.000 2.432 28 V HA 0.152 4.274 4.120 0.003 0.000 0.271 28 V C 0.892 176.970 176.094 -0.027 0.000 1.046 28 V CA -0.258 62.027 62.300 -0.025 0.000 0.945 28 V CB 1.524 33.331 31.823 -0.026 0.000 0.992 28 V HN 0.200 nan 8.190 nan 0.000 0.471 29 T N 5.874 120.409 114.554 -0.032 0.000 2.814 29 T HA 0.423 4.775 4.350 0.003 0.000 0.297 29 T C -0.019 174.652 174.700 -0.048 0.000 0.956 29 T CA -0.147 61.931 62.100 -0.037 0.000 1.123 29 T CB 0.900 69.744 68.868 -0.040 0.000 0.902 29 T HN 0.679 nan 8.240 nan 0.000 0.528 30 V N 0.996 120.880 119.914 -0.049 0.000 3.046 30 V HA 0.652 4.774 4.120 0.003 0.000 0.316 30 V C 1.255 177.289 176.094 -0.101 0.000 1.104 30 V CA -0.575 61.686 62.300 -0.064 0.000 1.006 30 V CB 1.331 33.135 31.823 -0.031 0.000 1.058 30 V HN 0.840 nan 8.190 nan 0.000 0.440 31 T N -1.061 113.402 114.554 -0.151 0.000 2.904 31 T HA 0.124 4.476 4.350 0.003 0.000 0.267 31 T C 0.488 174.789 174.700 -0.666 0.000 1.059 31 T CA 1.457 63.350 62.100 -0.345 0.000 1.137 31 T CB -0.575 68.140 68.868 -0.256 0.000 0.879 31 T HN 0.949 nan 8.240 nan 0.000 0.467 32 H N -0.212 118.921 119.070 0.105 0.000 3.046 32 H HA 0.792 5.350 4.556 0.003 0.000 0.361 32 H C -0.664 174.723 175.328 0.097 0.000 1.235 32 H CA -0.606 55.521 56.048 0.132 0.000 1.146 32 H CB 1.796 31.692 29.762 0.224 0.000 1.859 32 H HN 0.433 nan 8.280 nan 0.000 0.548 33 A N 1.246 124.190 122.820 0.206 0.000 2.593 33 A HA 0.740 5.062 4.320 0.003 0.000 0.290 33 A C -1.511 176.141 177.584 0.114 0.000 1.126 33 A CA -0.806 51.309 52.037 0.130 0.000 0.695 33 A CB 2.124 21.171 19.000 0.078 0.000 1.290 33 A HN 0.384 nan 8.150 nan 0.000 0.414 34 K N 1.222 121.673 120.400 0.085 0.000 2.471 34 K HA 0.355 4.677 4.320 0.003 0.000 0.252 34 K C -1.898 174.737 176.600 0.058 0.000 0.938 34 K CA -0.392 55.937 56.287 0.070 0.000 0.796 34 K CB 1.835 34.372 32.500 0.061 0.000 1.161 34 K HN 0.809 nan 8.250 nan 0.000 0.425 35 D N 3.815 124.248 120.400 0.054 0.000 2.295 35 D HA 0.147 4.789 4.640 0.003 0.000 0.248 35 D C 1.027 177.364 176.300 0.063 0.000 1.154 35 D CA -0.394 53.638 54.000 0.053 0.000 0.857 35 D CB 0.643 41.470 40.800 0.045 0.000 1.117 35 D HN 0.568 nan 8.370 nan 0.000 0.468 36 I N 1.265 121.886 120.570 0.084 0.000 3.891 36 I HA 0.308 4.480 4.170 0.003 0.000 0.331 36 I C -0.480 175.738 176.117 0.170 0.000 1.406 36 I CA -0.428 60.941 61.300 0.116 0.000 1.139 36 I CB 0.169 38.263 38.000 0.155 0.000 1.056 36 I HN 0.075 nan 8.210 nan 0.000 0.399 37 L N 2.031 123.330 121.223 0.126 0.000 2.318 37 L HA 0.513 4.855 4.340 0.003 0.000 0.277 37 L C -0.153 176.779 176.870 0.103 0.000 1.008 37 L CA -0.375 54.544 54.840 0.133 0.000 0.846 37 L CB 1.158 43.264 42.059 0.077 0.000 1.220 37 L HN 0.097 nan 8.230 nan 0.000 0.423 38 E N 4.146 124.419 120.200 0.123 0.000 2.324 38 E HA 0.187 4.539 4.350 0.003 0.000 0.271 38 E C -0.090 176.596 176.600 0.142 0.000 1.028 38 E CA 0.377 56.844 56.400 0.111 0.000 0.890 38 E CB 0.545 30.305 29.700 0.100 0.000 1.004 38 E HN 0.600 nan 8.360 nan 0.000 0.431 39 K N 1.605 122.071 120.400 0.110 0.000 2.533 39 K HA 0.216 4.538 4.320 0.003 0.000 0.202 39 K C -0.591 176.082 176.600 0.122 0.000 1.096 39 K CA -0.416 55.949 56.287 0.130 0.000 1.056 39 K CB 0.556 33.110 32.500 0.091 0.000 0.890 39 K HN 0.333 nan 8.250 nan 0.000 0.552 40 T N 1.496 116.099 114.554 0.083 0.000 2.829 40 T HA 0.393 4.745 4.350 0.003 0.000 0.280 40 T C -0.554 174.173 174.700 0.046 0.000 0.999 40 T CA -0.757 61.347 62.100 0.007 0.000 0.983 40 T CB 1.006 69.850 68.868 -0.040 0.000 0.968 40 T HN 0.389 nan 8.240 nan 0.000 0.446 41 H N 0.545 119.625 119.070 0.016 0.000 2.810 41 H HA 0.653 5.211 4.556 0.003 0.000 0.316 41 H C 0.734 176.059 175.328 -0.006 0.000 1.426 41 H CA -1.159 54.886 56.048 -0.004 0.000 1.413 41 H CB 0.619 30.377 29.762 -0.006 0.000 1.874 41 H HN 0.438 nan 8.280 nan 0.000 0.737 42 N N -0.946 117.812 118.700 0.095 0.000 2.236 42 N HA 0.115 4.857 4.740 0.003 0.000 0.196 42 N C 1.215 176.771 175.510 0.078 0.000 1.114 42 N CA 0.246 53.313 53.050 0.028 0.000 0.859 42 N CB 0.414 38.913 38.487 0.020 0.000 0.982 42 N HN 1.100 nan 8.380 nan 0.000 0.493 43 G N 0.090 109.045 108.800 0.259 0.000 2.284 43 G HA2 -0.347 3.615 3.960 0.003 0.000 0.261 43 G HA3 -0.347 3.615 3.960 0.003 0.000 0.261 43 G C -0.163 174.795 174.900 0.097 0.000 0.997 43 G CA 0.729 45.968 45.100 0.231 0.000 0.621 43 G HN 0.530 nan 8.290 nan 0.000 0.534 44 K N 0.113 120.551 120.400 0.063 0.000 2.110 44 K HA 0.701 5.023 4.320 0.003 0.000 0.263 44 K C 0.241 176.848 176.600 0.013 0.000 0.975 44 K CA -0.760 55.543 56.287 0.026 0.000 0.895 44 K CB 1.538 34.049 32.500 0.020 0.000 1.060 44 K HN 0.161 nan 8.250 nan 0.000 0.448 45 L N 2.645 123.872 121.223 0.007 0.000 2.276 45 L HA 0.347 4.689 4.340 0.003 0.000 0.286 45 L C -0.420 176.476 176.870 0.043 0.000 1.061 45 L CA -0.731 54.123 54.840 0.024 0.000 0.807 45 L CB 0.763 42.835 42.059 0.022 0.000 1.177 45 L HN 0.711 nan 8.230 nan 0.000 0.429 46 c N 1.240 119.887 118.600 0.078 0.000 2.973 46 c HA 0.457 5.029 4.570 0.003 0.000 0.329 46 c C 0.144 174.309 174.090 0.124 0.000 1.327 46 c CA -1.411 54.960 56.329 0.069 0.000 1.632 46 c CB 1.933 44.467 42.510 0.039 0.000 2.098 46 c HN 0.689 nan 8.230 nan 0.000 0.469 47 K N 0.425 120.876 120.400 0.084 0.000 2.319 47 K HA 0.378 4.700 4.320 0.003 0.000 0.265 47 K C -0.955 175.727 176.600 0.135 0.000 1.000 47 K CA -0.187 56.162 56.287 0.104 0.000 0.943 47 K CB 0.315 32.850 32.500 0.059 0.000 0.950 47 K HN 0.422 nan 8.250 nan 0.000 0.485 48 L N 2.829 124.160 121.223 0.181 0.000 2.324 48 L HA 0.198 4.540 4.340 0.003 0.000 0.274 48 L C -0.841 176.103 176.870 0.123 0.000 1.012 48 L CA 0.274 55.209 54.840 0.157 0.000 0.859 48 L CB -0.057 42.148 42.059 0.242 0.000 1.224 48 L HN 0.765 nan 8.230 nan 0.000 0.429 49 N N 3.717 122.465 118.700 0.080 0.000 2.776 49 N HA -0.190 4.552 4.740 0.003 0.000 0.249 49 N C 0.891 176.430 175.510 0.047 0.000 1.111 49 N CA 0.765 53.851 53.050 0.059 0.000 0.711 49 N CB -1.121 37.407 38.487 0.068 0.000 1.065 49 N HN 1.154 nan 8.380 nan 0.000 0.556 50 G N -1.162 107.667 108.800 0.048 0.000 2.199 50 G HA2 -0.306 3.656 3.960 0.003 0.000 0.254 50 G HA3 -0.306 3.656 3.960 0.003 0.000 0.254 50 G C 0.091 175.016 174.900 0.042 0.000 0.982 50 G CA 0.418 45.540 45.100 0.038 0.000 0.632 50 G HN 0.442 nan 8.290 nan 0.000 0.529 51 I N 2.217 122.823 120.570 0.060 0.000 2.404 51 I HA 0.401 4.573 4.170 0.003 0.000 0.293 51 I C -2.150 174.013 176.117 0.077 0.000 0.992 51 I CA -2.631 58.706 61.300 0.062 0.000 1.149 51 I CB 2.144 40.178 38.000 0.056 0.000 1.315 51 I HN -0.145 nan 8.210 nan 0.000 0.446 52 P HA 0.266 nan 4.420 nan 0.000 0.274 52 P C -2.628 174.616 177.300 -0.093 0.000 1.256 52 P CA -1.457 61.636 63.100 -0.012 0.000 0.795 52 P CB -0.117 31.567 31.700 -0.025 0.000 1.038 53 P HA 0.234 nan 4.420 nan 0.000 0.282 53 P C -0.911 176.065 177.300 -0.540 0.000 1.259 53 P CA -0.518 62.134 63.100 -0.747 0.000 0.826 53 P CB 0.387 31.289 31.700 -1.330 0.000 1.064 54 L N 1.876 122.647 121.223 -0.754 0.000 2.361 54 L HA 0.181 4.523 4.340 0.003 0.000 0.278 54 L C 0.032 176.441 176.870 -0.769 0.000 1.113 54 L CA 0.450 54.712 54.840 -0.964 0.000 0.849 54 L CB -0.618 40.319 42.059 -1.869 0.000 1.155 54 L HN 0.292 nan 8.230 nan 0.000 0.452 55 E N 5.480 125.326 120.200 -0.591 0.000 2.014 55 E HA 0.148 4.499 4.350 0.003 0.000 0.275 55 E C 0.629 176.941 176.600 -0.479 0.000 0.997 55 E CA -0.094 56.035 56.400 -0.451 0.000 0.804 55 E CB 0.820 30.334 29.700 -0.309 0.000 1.090 55 E HN 0.740 nan 8.360 nan 0.000 0.401 56 L N 2.470 123.407 121.223 -0.477 0.000 2.341 56 L HA 0.072 4.414 4.340 0.003 0.000 0.214 56 L C 1.540 178.250 176.870 -0.267 0.000 1.115 56 L CA 0.586 55.163 54.840 -0.439 0.000 0.820 56 L CB -0.556 41.247 42.059 -0.427 0.000 0.944 56 L HN 0.865 nan 8.230 nan 0.000 0.452 57 G N 0.790 109.457 108.800 -0.222 0.000 2.620 57 G HA2 -0.390 3.572 3.960 0.003 0.000 0.315 57 G HA3 -0.390 3.572 3.960 0.003 0.000 0.315 57 G C 0.536 175.365 174.900 -0.117 0.000 1.179 57 G CA 0.529 45.540 45.100 -0.150 0.000 0.971 57 G HN 0.292 nan 8.290 nan 0.000 0.544 58 D N 0.877 121.223 120.400 -0.090 0.000 2.340 58 D HA 0.314 4.956 4.640 0.003 0.000 0.217 58 D C 0.517 176.785 176.300 -0.054 0.000 1.081 58 D CA 0.287 54.250 54.000 -0.063 0.000 0.842 58 D CB -0.179 40.595 40.800 -0.043 0.000 0.934 58 D HN 0.430 nan 8.370 nan 0.000 0.511 59 c N 0.337 118.892 118.600 -0.074 0.000 2.358 59 c HA 0.590 5.162 4.570 0.003 0.000 0.354 59 c C 0.837 174.891 174.090 -0.059 0.000 1.183 59 c CA -0.798 55.502 56.329 -0.047 0.000 2.150 59 c CB 1.370 43.861 42.510 -0.031 0.000 2.361 59 c HN 0.289 nan 8.230 nan 0.000 0.535 60 S N 1.042 116.734 115.700 -0.014 0.000 2.687 60 S HA 0.496 4.968 4.470 0.003 0.000 0.283 60 S C 0.861 175.478 174.600 0.027 0.000 1.170 60 S CA -0.567 57.634 58.200 0.002 0.000 1.008 60 S CB 0.427 63.654 63.200 0.045 0.000 1.026 60 S HN 0.611 nan 8.310 nan 0.000 0.541 61 I N 1.080 121.671 120.570 0.034 0.000 2.264 61 I HA -0.191 3.981 4.170 0.003 0.000 0.248 61 I C 2.838 178.986 176.117 0.053 0.000 1.111 61 I CA 1.496 62.834 61.300 0.064 0.000 1.382 61 I CB -0.892 37.064 38.000 -0.073 0.000 1.060 61 I HN 0.879 nan 8.210 nan 0.000 0.418 62 A N 1.107 123.924 122.820 -0.005 0.000 1.851 62 A HA -0.186 4.136 4.320 0.003 0.000 0.216 62 A C 2.477 179.993 177.584 -0.113 0.000 1.195 62 A CA 2.101 54.008 52.037 -0.216 0.000 0.622 62 A CB -1.580 17.188 19.000 -0.387 0.000 0.831 62 A HN 0.442 nan 8.150 nan 0.000 0.444 63 G N -1.631 107.158 108.800 -0.019 0.000 2.469 63 G HA2 -0.329 3.633 3.960 0.003 0.000 0.219 63 G HA3 -0.329 3.633 3.960 0.003 0.000 0.219 63 G C 1.389 176.343 174.900 0.091 0.000 1.150 63 G CA 1.342 46.474 45.100 0.054 0.000 0.763 63 G HN 0.727 nan 8.290 nan 0.000 0.561 64 W N 1.171 122.407 121.300 -0.108 0.000 2.378 64 W HA 0.053 4.715 4.660 0.003 0.000 0.313 64 W C 2.329 178.790 176.519 -0.095 0.000 1.197 64 W CA 1.259 58.535 57.345 -0.115 0.000 1.304 64 W CB -0.590 28.755 29.460 -0.192 0.000 1.148 64 W HN 0.125 nan 8.180 nan 0.000 0.494 65 L N 0.189 121.179 121.223 -0.389 0.000 2.056 65 L HA -0.210 4.132 4.340 0.003 0.000 0.207 65 L C 2.523 179.257 176.870 -0.226 0.000 1.078 65 L CA 1.221 55.697 54.840 -0.607 0.000 0.749 65 L CB -0.941 40.792 42.059 -0.544 0.000 0.901 65 L HN 0.057 nan 8.230 nan 0.000 0.433 66 L N -0.504 120.584 121.223 -0.225 0.000 2.156 66 L HA 0.010 4.352 4.340 0.003 0.000 0.208 66 L C 1.343 178.188 176.870 -0.043 0.000 1.095 66 L CA 0.835 55.498 54.840 -0.294 0.000 0.770 66 L CB -0.565 40.996 42.059 -0.831 0.000 0.914 66 L HN 0.522 nan 8.230 nan 0.000 0.439 67 G N 0.661 109.476 108.800 0.026 0.000 2.207 67 G HA2 -0.250 3.712 3.960 0.003 0.000 0.216 67 G HA3 -0.250 3.712 3.960 0.003 0.000 0.216 67 G C 0.031 175.020 174.900 0.149 0.000 1.053 67 G CA -0.107 45.043 45.100 0.084 0.000 0.764 67 G HN 0.336 nan 8.290 nan 0.000 0.495 68 N N 0.578 119.409 118.700 0.219 0.000 2.217 68 N HA 0.061 4.803 4.740 0.003 0.000 0.268 68 N C -0.367 175.166 175.510 0.039 0.000 1.290 68 N CA -0.444 52.676 53.050 0.116 0.000 0.831 68 N CB 0.995 39.563 38.487 0.134 0.000 1.057 68 N HN 0.152 nan 8.380 nan 0.000 0.481 69 P HA -0.077 nan 4.420 nan 0.000 0.220 69 P C 0.637 177.946 177.300 0.014 0.000 1.148 69 P CA 0.953 64.056 63.100 0.005 0.000 0.803 69 P CB 0.276 31.970 31.700 -0.010 0.000 0.782 70 E N -1.445 118.760 120.200 0.008 0.000 2.515 70 E HA -0.075 4.277 4.350 0.003 0.000 0.201 70 E C 0.438 177.050 176.600 0.020 0.000 1.071 70 E CA 0.488 56.894 56.400 0.010 0.000 0.880 70 E CB -1.049 28.654 29.700 0.004 0.000 0.828 70 E HN 0.182 nan 8.360 nan 0.000 0.540 71 c N 0.450 119.073 118.600 0.039 0.000 2.881 71 c HA 0.222 4.794 4.570 0.003 0.000 0.290 71 c C 1.192 175.323 174.090 0.068 0.000 1.362 71 c CA -0.799 55.565 56.329 0.058 0.000 1.757 71 c CB -0.416 42.157 42.510 0.106 0.000 2.265 71 c HN 0.296 nan 8.230 nan 0.000 0.600 72 D N 1.875 122.303 120.400 0.047 0.000 2.178 72 D HA -0.083 4.559 4.640 0.003 0.000 0.201 72 D C 1.615 177.939 176.300 0.039 0.000 0.980 72 D CA 1.044 55.071 54.000 0.045 0.000 0.842 72 D CB -0.075 40.744 40.800 0.032 0.000 0.948 72 D HN 0.547 nan 8.370 nan 0.000 0.472 73 R N 0.226 120.740 120.500 0.023 0.000 2.978 73 R HA 0.297 4.639 4.340 0.003 0.000 0.298 73 R C 0.133 176.431 176.300 -0.004 0.000 1.296 73 R CA -0.167 55.939 56.100 0.010 0.000 1.181 73 R CB 0.219 30.518 30.300 -0.001 0.000 1.348 73 R HN 0.089 nan 8.270 nan 0.000 0.585 74 L N 0.591 121.820 121.223 0.010 0.000 2.379 74 L HA 0.196 4.537 4.340 0.003 0.000 0.269 74 L C 1.487 178.345 176.870 -0.020 0.000 1.084 74 L CA -0.327 54.495 54.840 -0.030 0.000 0.802 74 L CB 1.217 43.257 42.059 -0.031 0.000 1.175 74 L HN 0.236 nan 8.230 nan 0.000 0.448 75 L N 0.820 121.997 121.223 -0.076 0.000 1.988 75 L HA -0.061 4.281 4.340 0.003 0.000 0.207 75 L C 0.578 177.449 176.870 0.002 0.000 1.071 75 L CA 0.753 55.564 54.840 -0.048 0.000 0.744 75 L CB 0.156 42.161 42.059 -0.090 0.000 0.893 75 L HN 0.825 nan 8.230 nan 0.000 0.433 76 S N -0.500 115.181 115.700 -0.032 0.000 3.530 76 S HA -0.090 4.382 4.470 0.003 0.000 0.618 76 S C -0.462 174.227 174.600 0.148 0.000 0.591 76 S CA -0.010 58.254 58.200 0.107 0.000 1.420 76 S CB -0.788 62.571 63.200 0.265 0.000 0.954 76 S HN 0.206 nan 8.310 nan 0.000 0.956 77 V N 4.835 124.854 119.914 0.175 0.000 2.716 77 V HA 0.391 4.513 4.120 0.003 0.000 0.304 77 V C -1.326 174.979 176.094 0.352 0.000 1.053 77 V CA -1.715 60.718 62.300 0.222 0.000 0.984 77 V CB 1.266 33.203 31.823 0.190 0.000 1.021 77 V HN 0.507 nan 8.190 nan 0.000 0.467 78 P HA 0.053 nan 4.420 nan 0.000 0.225 78 P C 0.141 177.514 177.300 0.122 0.000 1.156 78 P CA 0.832 64.059 63.100 0.212 0.000 0.787 78 P CB 0.468 32.292 31.700 0.206 0.000 0.802 79 E N -0.732 119.536 120.200 0.114 0.000 2.343 79 E HA 0.447 4.799 4.350 0.003 0.000 0.278 79 E C -1.827 174.817 176.600 0.073 0.000 0.910 79 E CA -0.995 55.370 56.400 -0.059 0.000 0.757 79 E CB 1.500 31.191 29.700 -0.014 0.000 1.218 79 E HN -0.058 nan 8.360 nan 0.000 0.435 80 W N 1.817 123.081 121.300 -0.060 0.000 3.074 80 W HA 0.468 5.130 4.660 0.003 0.000 0.332 80 W C -0.385 176.088 176.519 -0.077 0.000 1.253 80 W CA -0.291 56.986 57.345 -0.113 0.000 1.180 80 W CB 0.348 29.678 29.460 -0.216 0.000 1.445 80 W HN 0.303 nan 8.180 nan 0.000 0.573 81 S N -0.450 115.403 115.700 0.256 0.000 2.520 81 S HA 0.393 4.865 4.470 0.003 0.000 0.219 81 S C -0.202 174.665 174.600 0.444 0.000 1.028 81 S CA 0.678 59.037 58.200 0.264 0.000 0.921 81 S CB -0.327 63.046 63.200 0.289 0.000 0.844 81 S HN 0.998 nan 8.310 nan 0.000 0.495 82 Y N -1.241 119.186 120.300 0.213 0.000 2.818 82 Y HA 0.729 5.281 4.550 0.003 0.000 0.341 82 Y C -1.908 173.945 175.900 -0.078 0.000 1.283 82 Y CA -1.838 56.316 58.100 0.091 0.000 1.075 82 Y CB 0.619 39.093 38.460 0.022 0.000 1.370 82 Y HN -0.040 nan 8.280 nan 0.000 0.448 83 I N 3.097 123.577 120.570 -0.149 0.000 2.436 83 I HA 0.400 4.572 4.170 0.003 0.000 0.289 83 I C -0.871 175.076 176.117 -0.284 0.000 1.010 83 I CA -1.030 60.015 61.300 -0.424 0.000 1.098 83 I CB 2.016 39.758 38.000 -0.430 0.000 1.266 83 I HN 0.524 nan 8.210 nan 0.000 0.434 84 M N 5.948 125.318 119.600 -0.382 0.000 2.080 84 M HA 0.405 4.886 4.480 0.003 0.000 0.350 84 M C -0.403 175.742 176.300 -0.259 0.000 1.173 84 M CA 0.001 55.157 55.300 -0.241 0.000 1.052 84 M CB 1.118 33.577 32.600 -0.234 0.000 1.577 84 M HN 0.522 nan 8.290 nan 0.000 0.455 85 E N 2.873 122.960 120.200 -0.188 0.000 2.293 85 E HA 0.378 4.730 4.350 0.003 0.000 0.270 85 E C -1.135 175.394 176.600 -0.119 0.000 0.879 85 E CA -0.716 55.578 56.400 -0.175 0.000 0.756 85 E CB 2.331 31.925 29.700 -0.177 0.000 1.208 85 E HN 0.549 nan 8.360 nan 0.000 0.428 86 K N 1.685 122.024 120.400 -0.101 0.000 2.219 86 K HA 0.055 4.377 4.320 0.003 0.000 0.258 86 K C -0.161 176.407 176.600 -0.053 0.000 1.008 86 K CA -0.182 56.062 56.287 -0.071 0.000 0.928 86 K CB 0.594 33.058 32.500 -0.060 0.000 0.983 86 K HN 0.405 nan 8.250 nan 0.000 0.484 87 E N 2.538 122.715 120.200 -0.039 0.000 2.265 87 E HA -0.038 4.314 4.350 0.003 0.000 0.272 87 E C -1.028 175.563 176.600 -0.014 0.000 1.067 87 E CA 0.034 56.420 56.400 -0.023 0.000 0.900 87 E CB -0.081 29.611 29.700 -0.014 0.000 1.017 87 E HN 0.419 nan 8.360 nan 0.000 0.431 88 N N 3.409 122.105 118.700 -0.006 0.000 2.621 88 N HA -0.120 4.622 4.740 0.003 0.000 0.269 88 N C -2.502 173.004 175.510 -0.007 0.000 1.154 88 N CA 0.349 53.399 53.050 0.002 0.000 0.696 88 N CB -1.346 37.144 38.487 0.005 0.000 0.878 88 N HN 0.433 nan 8.380 nan 0.000 0.550 89 P HA 0.082 nan 4.420 nan 0.000 0.272 89 P C 1.127 178.422 177.300 -0.008 0.000 1.248 89 P CA -0.287 62.801 63.100 -0.019 0.000 0.799 89 P CB 0.945 32.632 31.700 -0.023 0.000 0.997 90 R N -0.074 120.420 120.500 -0.010 0.000 2.123 90 R HA 0.039 4.381 4.340 0.003 0.000 0.209 90 R C -0.431 175.872 176.300 0.005 0.000 1.078 90 R CA 0.658 56.756 56.100 -0.003 0.000 1.028 90 R CB 0.247 30.543 30.300 -0.007 0.000 0.939 90 R HN 0.435 nan 8.270 nan 0.000 0.463 91 D N 0.527 120.930 120.400 0.005 0.000 2.473 91 D HA 0.250 4.892 4.640 0.003 0.000 0.226 91 D C -0.223 176.096 176.300 0.033 0.000 1.089 91 D CA -0.069 53.943 54.000 0.019 0.000 0.883 91 D CB 1.636 42.445 40.800 0.016 0.000 1.029 91 D HN 0.379 nan 8.370 nan 0.000 0.517 92 G N 0.960 109.787 108.800 0.045 0.000 3.110 92 G HA2 0.258 4.220 3.960 0.003 0.000 0.207 92 G HA3 0.258 4.220 3.960 0.003 0.000 0.207 92 G C -0.041 174.925 174.900 0.110 0.000 1.841 92 G CA -0.513 44.615 45.100 0.048 0.000 0.751 92 G HN 0.373 nan 8.290 nan 0.000 0.771 93 L N 2.875 124.166 121.223 0.115 0.000 2.462 93 L HA 0.117 4.459 4.340 0.003 0.000 0.283 93 L C 1.979 179.000 176.870 0.251 0.000 1.166 93 L CA -0.735 54.255 54.840 0.251 0.000 0.964 93 L CB 0.189 42.374 42.059 0.210 0.000 1.294 93 L HN 0.674 nan 8.230 nan 0.000 0.449 94 c N 1.182 119.912 118.600 0.218 0.000 2.413 94 c HA -0.205 4.367 4.570 0.003 0.000 0.276 94 c C 1.271 175.411 174.090 0.082 0.000 1.248 94 c CA -0.069 56.291 56.329 0.052 0.000 1.742 94 c CB -1.035 41.413 42.510 -0.104 0.000 2.017 94 c HN 0.608 nan 8.230 nan 0.000 0.481 95 Y N 3.948 124.295 120.300 0.079 0.000 2.404 95 Y HA 0.431 4.983 4.550 0.003 0.000 0.344 95 Y C -2.222 173.823 175.900 0.242 0.000 0.995 95 Y CA -2.619 55.582 58.100 0.168 0.000 1.201 95 Y CB 0.430 39.027 38.460 0.228 0.000 1.151 95 Y HN 0.165 nan 8.280 nan 0.000 0.517 96 P HA 0.209 nan 4.420 nan 0.000 0.266 96 P C -0.019 177.448 177.300 0.278 0.000 1.195 96 P CA 0.523 63.719 63.100 0.161 0.000 0.768 96 P CB 0.986 32.711 31.700 0.040 0.000 0.838 97 G N 0.656 109.588 108.800 0.220 0.000 2.474 97 G HA2 0.545 4.507 3.960 0.003 0.000 0.234 97 G HA3 0.545 4.507 3.960 0.003 0.000 0.234 97 G C -1.352 173.636 174.900 0.147 0.000 1.204 97 G CA -0.062 45.157 45.100 0.198 0.000 0.939 97 G HN 0.662 nan 8.290 nan 0.000 0.491 98 S N -1.508 114.275 115.700 0.138 0.000 2.638 98 S HA 0.807 5.279 4.470 0.003 0.000 0.274 98 S C -1.802 172.887 174.600 0.148 0.000 1.157 98 S CA -0.740 57.531 58.200 0.119 0.000 0.826 98 S CB 2.310 65.565 63.200 0.091 0.000 1.139 98 S HN 1.151 nan 8.310 nan 0.000 0.474 99 F N 1.432 121.375 119.950 -0.012 0.000 2.536 99 F HA 0.495 5.024 4.527 0.003 0.000 0.322 99 F C -0.602 175.258 175.800 0.100 0.000 1.144 99 F CA -0.663 57.340 58.000 0.004 0.000 0.924 99 F CB 1.656 40.503 39.000 -0.255 0.000 1.181 99 F HN 0.595 nan 8.300 nan 0.000 0.438 100 N N 4.900 123.778 118.700 0.296 0.000 2.520 100 N HA 0.095 4.837 4.740 0.003 0.000 0.273 100 N C -0.613 175.183 175.510 0.477 0.000 1.155 100 N CA 0.384 53.593 53.050 0.264 0.000 0.967 100 N CB 0.610 39.126 38.487 0.049 0.000 1.092 100 N HN 0.635 nan 8.380 nan 0.000 0.457 101 D N 1.104 121.729 120.400 0.375 0.000 2.689 101 D HA -0.260 4.382 4.640 0.003 0.000 0.237 101 D C 0.644 177.309 176.300 0.609 0.000 1.148 101 D CA 0.484 54.748 54.000 0.440 0.000 0.656 101 D CB -0.831 40.212 40.800 0.404 0.000 1.050 101 D HN 0.592 nan 8.370 nan 0.000 0.426 102 Y N 0.725 121.204 120.300 0.299 0.000 2.200 102 Y HA -0.154 4.398 4.550 0.003 0.000 0.290 102 Y C 2.089 177.971 175.900 -0.030 0.000 1.137 102 Y CA 2.085 60.227 58.100 0.070 0.000 1.163 102 Y CB 0.070 38.534 38.460 0.006 0.000 0.988 102 Y HN 0.019 nan 8.280 nan 0.000 0.518 103 E N 0.140 120.329 120.200 -0.019 0.000 2.077 103 E HA -0.167 4.184 4.350 0.003 0.000 0.193 103 E C 2.139 178.683 176.600 -0.094 0.000 0.989 103 E CA 1.414 57.717 56.400 -0.161 0.000 0.800 103 E CB -0.194 29.459 29.700 -0.079 0.000 0.746 103 E HN 0.399 nan 8.360 nan 0.000 0.452 104 E N 0.138 120.381 120.200 0.071 0.000 2.085 104 E HA -0.187 4.165 4.350 0.003 0.000 0.194 104 E C 2.093 178.740 176.600 0.079 0.000 0.994 104 E CA 0.678 57.175 56.400 0.161 0.000 0.801 104 E CB -0.258 29.658 29.700 0.361 0.000 0.743 104 E HN 0.186 nan 8.360 nan 0.000 0.453 105 L N 1.759 122.926 121.223 -0.093 0.000 2.056 105 L HA -0.154 4.188 4.340 0.003 0.000 0.207 105 L C 1.988 178.612 176.870 -0.409 0.000 1.078 105 L CA 1.779 56.277 54.840 -0.569 0.000 0.749 105 L CB -0.278 41.224 42.059 -0.929 0.000 0.901 105 L HN -0.074 nan 8.230 nan 0.000 0.433 106 K N -1.252 118.904 120.400 -0.407 0.000 2.063 106 K HA -0.244 4.078 4.320 0.003 0.000 0.208 106 K C 2.195 178.692 176.600 -0.172 0.000 1.048 106 K CA 1.600 57.673 56.287 -0.356 0.000 0.928 106 K CB -0.711 31.509 32.500 -0.466 0.000 0.713 106 K HN 0.563 nan 8.250 nan 0.000 0.442 107 H N 1.187 120.146 119.070 -0.186 0.000 2.353 107 H HA -0.122 4.436 4.556 0.003 0.000 0.300 107 H C 2.227 177.519 175.328 -0.060 0.000 1.090 107 H CA 1.408 57.395 56.048 -0.101 0.000 1.327 107 H CB 0.055 29.774 29.762 -0.071 0.000 1.383 107 H HN 0.061 nan 8.280 nan 0.000 0.508 108 L N 0.729 121.945 121.223 -0.010 0.000 2.012 108 L HA -0.185 4.157 4.340 0.003 0.000 0.210 108 L C 1.939 178.769 176.870 -0.067 0.000 1.073 108 L CA 1.394 56.215 54.840 -0.032 0.000 0.748 108 L CB -0.599 41.420 42.059 -0.067 0.000 0.891 108 L HN 0.179 nan 8.230 nan 0.000 0.431 109 L N -0.331 120.847 121.223 -0.075 0.000 2.599 109 L HA 0.058 4.400 4.340 0.003 0.000 0.230 109 L C 2.600 179.554 176.870 0.140 0.000 1.141 109 L CA 1.343 56.205 54.840 0.037 0.000 0.877 109 L CB -1.240 40.829 42.059 0.018 0.000 1.009 109 L HN 0.538 nan 8.230 nan 0.000 0.447 110 S N -2.522 113.175 115.700 -0.004 0.000 2.383 110 S HA -0.084 4.388 4.470 0.003 0.000 0.229 110 S C 1.169 175.884 174.600 0.191 0.000 1.030 110 S CA 0.967 59.185 58.200 0.030 0.000 1.002 110 S CB -0.200 62.935 63.200 -0.110 0.000 0.829 110 S HN 0.335 nan 8.310 nan 0.000 0.467 111 S N -0.410 115.317 115.700 0.044 0.000 2.614 111 S HA 0.658 5.130 4.470 0.003 0.000 0.288 111 S C -1.442 172.981 174.600 -0.294 0.000 1.137 111 S CA -0.624 57.533 58.200 -0.070 0.000 0.992 111 S CB 1.815 64.973 63.200 -0.070 0.000 1.026 111 S HN 0.250 nan 8.310 nan 0.000 0.486 112 V N 6.364 125.884 119.914 -0.656 0.000 2.569 112 V HA 0.446 4.568 4.120 0.003 0.000 0.301 112 V C 0.907 176.692 176.094 -0.515 0.000 1.044 112 V CA -0.672 61.225 62.300 -0.672 0.000 0.874 112 V CB 1.937 33.069 31.823 -1.151 0.000 1.002 112 V HN 0.987 nan 8.190 nan 0.000 0.424 113 K N 3.253 123.500 120.400 -0.254 0.000 2.103 113 K HA 0.023 4.345 4.320 0.003 0.000 0.204 113 K C 0.497 177.078 176.600 -0.031 0.000 1.052 113 K CA 1.010 57.218 56.287 -0.133 0.000 0.945 113 K CB 0.168 32.627 32.500 -0.069 0.000 0.722 113 K HN 0.780 nan 8.250 nan 0.000 0.443 114 H N -1.745 117.242 119.070 -0.139 0.000 3.029 114 H HA 0.216 4.774 4.556 0.003 0.000 0.358 114 H C -2.223 173.125 175.328 0.033 0.000 1.129 114 H CA -0.717 55.298 56.048 -0.056 0.000 1.230 114 H CB 1.270 31.014 29.762 -0.029 0.000 1.827 114 H HN 0.005 nan 8.280 nan 0.000 0.530 115 F N 4.349 123.886 119.950 -0.688 0.000 2.730 115 F HA 0.273 4.802 4.527 0.003 0.000 0.335 115 F C -1.465 174.150 175.800 -0.308 0.000 1.212 115 F CA -0.348 57.421 58.000 -0.385 0.000 1.016 115 F CB 1.406 40.306 39.000 -0.166 0.000 1.290 115 F HN 0.616 nan 8.300 nan 0.000 0.495 116 E N 6.323 126.126 120.200 -0.660 0.000 2.263 116 E HA 0.238 4.590 4.350 0.003 0.000 0.268 116 E C -1.536 174.835 176.600 -0.382 0.000 0.884 116 E CA -0.906 55.277 56.400 -0.362 0.000 0.766 116 E CB 1.619 31.193 29.700 -0.210 0.000 1.196 116 E HN 0.574 nan 8.360 nan 0.000 0.416 117 K N 3.724 123.969 120.400 -0.259 0.000 2.249 117 K HA 0.323 4.644 4.320 0.003 0.000 0.280 117 K C -0.952 175.502 176.600 -0.244 0.000 1.033 117 K CA -0.361 55.691 56.287 -0.392 0.000 0.946 117 K CB 1.312 33.595 32.500 -0.363 0.000 1.005 117 K HN 0.363 nan 8.250 nan 0.000 0.469 118 V N 2.769 122.540 119.914 -0.238 0.000 2.925 118 V HA 0.408 4.530 4.120 0.003 0.000 0.311 118 V C -1.322 174.749 176.094 -0.039 0.000 1.104 118 V CA -1.021 61.231 62.300 -0.081 0.000 0.954 118 V CB 1.846 33.608 31.823 -0.102 0.000 1.022 118 V HN 0.864 nan 8.190 nan 0.000 0.427 119 K N 4.711 125.082 120.400 -0.049 0.000 2.316 119 K HA 0.427 4.749 4.320 0.003 0.000 0.289 119 K C 0.773 177.158 176.600 -0.359 0.000 1.070 119 K CA 0.022 56.100 56.287 -0.348 0.000 0.928 119 K CB 0.922 33.210 32.500 -0.354 0.000 1.039 119 K HN 0.845 nan 8.250 nan 0.000 0.480 120 I N 1.764 122.059 120.570 -0.460 0.000 3.445 120 I HA 0.150 4.322 4.170 0.003 0.000 0.288 120 I C -0.154 175.764 176.117 -0.332 0.000 1.198 120 I CA -0.055 60.894 61.300 -0.585 0.000 1.417 120 I CB 0.405 37.829 38.000 -0.961 0.000 1.205 120 I HN 0.342 nan 8.210 nan 0.000 0.448 121 L N 3.691 124.757 121.223 -0.262 0.000 2.433 121 L HA 0.558 4.900 4.340 0.003 0.000 0.256 121 L C -2.589 174.162 176.870 -0.198 0.000 1.063 121 L CA -1.680 53.047 54.840 -0.188 0.000 0.922 121 L CB 1.117 43.140 42.059 -0.060 0.000 1.238 121 L HN -0.107 nan 8.230 nan 0.000 0.466 122 P HA -0.038 nan 4.420 nan 0.000 0.264 122 P C 0.585 177.828 177.300 -0.096 0.000 1.183 122 P CA 0.097 63.086 63.100 -0.185 0.000 0.763 122 P CB 0.855 32.460 31.700 -0.158 0.000 0.807 123 K N 2.607 123.013 120.400 0.012 0.000 2.103 123 K HA -0.226 4.096 4.320 0.003 0.000 0.207 123 K C 0.657 177.358 176.600 0.168 0.000 1.048 123 K CA 2.025 58.421 56.287 0.183 0.000 0.930 123 K CB -0.212 32.368 32.500 0.133 0.000 0.716 123 K HN 0.405 nan 8.250 nan 0.000 0.444 124 D N -0.295 120.133 120.400 0.048 0.000 2.219 124 D HA -0.088 4.554 4.640 0.003 0.000 0.205 124 D C 1.401 177.703 176.300 0.004 0.000 0.970 124 D CA 0.857 54.878 54.000 0.035 0.000 0.851 124 D CB 0.067 40.870 40.800 0.005 0.000 0.943 124 D HN 0.170 nan 8.370 nan 0.000 0.488 125 R N -0.442 119.998 120.500 -0.099 0.000 2.339 125 R HA 0.017 4.359 4.340 0.003 0.000 0.199 125 R C 0.196 176.375 176.300 -0.202 0.000 1.018 125 R CA 0.220 56.209 56.100 -0.186 0.000 1.036 125 R CB -0.131 29.993 30.300 -0.293 0.000 0.899 125 R HN 0.310 nan 8.270 nan 0.000 0.473 126 W N 2.276 123.571 121.300 -0.009 0.000 2.666 126 W HA 0.050 4.712 4.660 0.003 0.000 0.445 126 W C 0.638 177.184 176.519 0.045 0.000 0.693 126 W CA -0.523 56.831 57.345 0.014 0.000 2.192 126 W CB -0.183 29.265 29.460 -0.021 0.000 1.086 126 W HN -0.041 nan 8.180 nan 0.000 0.747 127 T N -2.391 112.268 114.554 0.175 0.000 2.795 127 T HA -0.013 4.339 4.350 0.003 0.000 0.314 127 T C 0.935 175.691 174.700 0.093 0.000 1.069 127 T CA 0.302 62.462 62.100 0.101 0.000 1.071 127 T CB 1.133 70.022 68.868 0.035 0.000 0.988 127 T HN 0.475 nan 8.240 nan 0.000 0.543 128 Q N -0.602 119.182 119.800 -0.027 0.000 2.342 128 Q HA -0.179 4.163 4.340 0.003 0.000 0.196 128 Q C -0.459 175.247 176.000 -0.491 0.000 0.629 128 Q CA 1.530 57.209 55.803 -0.206 0.000 1.365 128 Q CB -1.187 27.424 28.738 -0.212 0.000 1.406 128 Q HN 0.904 nan 8.270 nan 0.000 0.840 129 H N -0.823 118.212 119.070 -0.059 0.000 2.851 129 H HA 0.289 4.847 4.556 0.003 0.000 0.372 129 H C -0.370 174.904 175.328 -0.091 0.000 1.158 129 H CA -0.372 55.590 56.048 -0.142 0.000 1.159 129 H CB 1.749 31.375 29.762 -0.226 0.000 1.757 129 H HN -0.098 nan 8.280 nan 0.000 0.546 130 T N 1.149 115.703 114.554 0.001 0.000 2.919 130 T HA 0.077 4.429 4.350 0.003 0.000 0.302 130 T C 1.103 175.765 174.700 -0.064 0.000 1.031 130 T CA 0.271 62.343 62.100 -0.047 0.000 1.127 130 T CB 0.964 69.769 68.868 -0.104 0.000 0.952 130 T HN 0.636 nan 8.240 nan 0.000 0.540 131 T N 0.351 114.872 114.554 -0.055 0.000 3.041 131 T HA 0.097 4.449 4.350 0.003 0.000 0.276 131 T C 1.709 176.383 174.700 -0.044 0.000 0.948 131 T CA 0.189 62.266 62.100 -0.039 0.000 0.885 131 T CB 0.074 68.971 68.868 0.048 0.000 1.175 131 T HN 0.754 nan 8.240 nan 0.000 0.529 132 T N -0.875 113.632 114.554 -0.079 0.000 3.122 132 T HA 0.367 4.719 4.350 0.003 0.000 0.250 132 T C 1.185 175.809 174.700 -0.128 0.000 1.067 132 T CA -0.019 62.043 62.100 -0.063 0.000 0.966 132 T CB 0.007 68.844 68.868 -0.050 0.000 1.002 132 T HN 0.291 nan 8.240 nan 0.000 0.542 133 G N 0.306 108.953 108.800 -0.255 0.000 2.225 133 G HA2 0.454 4.415 3.960 0.003 0.000 0.245 133 G HA3 0.454 4.415 3.960 0.003 0.000 0.245 133 G C 0.297 175.066 174.900 -0.219 0.000 1.249 133 G CA -0.037 44.788 45.100 -0.459 0.000 0.919 133 G HN 0.658 nan 8.290 nan 0.000 0.486 134 G N -0.345 108.388 108.800 -0.112 0.000 3.222 134 G HA2 0.769 4.731 3.960 0.003 0.000 0.263 134 G HA3 0.769 4.731 3.960 0.003 0.000 0.263 134 G C -0.846 174.226 174.900 0.286 0.000 1.312 134 G CA 0.150 45.342 45.100 0.154 0.000 0.934 134 G HN 1.407 nan 8.290 nan 0.000 0.577 135 S N -2.032 113.860 115.700 0.319 0.000 2.558 135 S HA 0.328 4.800 4.470 0.003 0.000 0.277 135 S C 0.318 175.030 174.600 0.187 0.000 1.143 135 S CA -0.479 57.909 58.200 0.313 0.000 0.865 135 S CB 1.651 65.190 63.200 0.566 0.000 1.102 135 S HN 0.569 nan 8.310 nan 0.000 0.454 136 R N 1.694 122.264 120.500 0.118 0.000 2.316 136 R HA 0.109 4.451 4.340 0.003 0.000 0.202 136 R C 1.946 178.271 176.300 0.042 0.000 1.029 136 R CA 1.044 57.183 56.100 0.065 0.000 1.018 136 R CB -0.291 30.034 30.300 0.042 0.000 0.888 136 R HN 0.651 nan 8.270 nan 0.000 0.471 137 A N -0.508 122.339 122.820 0.044 0.000 2.119 137 A HA -0.068 4.254 4.320 0.003 0.000 0.216 137 A C 1.231 178.807 177.584 -0.012 0.000 1.152 137 A CA 0.600 52.634 52.037 -0.005 0.000 0.708 137 A CB 0.119 19.075 19.000 -0.072 0.000 0.805 137 A HN 0.352 nan 8.150 nan 0.000 0.460 138 c N 0.593 119.199 118.600 0.009 0.000 2.557 138 c HA 0.636 5.207 4.570 0.003 0.000 0.281 138 c C 1.157 175.240 174.090 -0.011 0.000 1.490 138 c CA -0.864 55.429 56.329 -0.060 0.000 1.771 138 c CB -1.646 40.765 42.510 -0.164 0.000 2.887 138 c HN 0.629 nan 8.230 nan 0.000 0.527 139 A N 0.677 123.502 122.820 0.009 0.000 2.477 139 A HA 0.458 4.780 4.320 0.003 0.000 0.246 139 A C -0.097 177.494 177.584 0.012 0.000 1.078 139 A CA 0.248 52.297 52.037 0.020 0.000 0.770 139 A CB 0.360 19.372 19.000 0.020 0.000 1.011 139 A HN 0.647 nan 8.150 nan 0.000 0.494 140 V N 3.008 122.934 119.914 0.020 0.000 2.325 140 V HA 0.534 4.656 4.120 0.003 0.000 0.280 140 V C 0.017 176.122 176.094 0.018 0.000 1.016 140 V CA 0.548 62.859 62.300 0.017 0.000 0.818 140 V CB 0.025 31.861 31.823 0.022 0.000 1.019 140 V HN 1.483 nan 8.190 nan 0.000 0.434 141 S N 4.803 120.512 115.700 0.014 0.000 3.978 141 S HA -0.107 4.365 4.470 0.003 0.000 0.402 141 S C 1.410 176.018 174.600 0.014 0.000 0.927 141 S CA 1.109 59.317 58.200 0.013 0.000 1.197 141 S CB -1.521 61.688 63.200 0.014 0.000 0.855 141 S HN 2.568 nan 8.310 nan 0.000 0.524 142 G N 1.112 109.920 108.800 0.013 0.000 3.246 142 G HA2 -0.445 3.517 3.960 0.003 0.000 0.227 142 G HA3 -0.445 3.517 3.960 0.003 0.000 0.227 142 G C 0.088 174.999 174.900 0.018 0.000 1.291 142 G CA 0.633 45.741 45.100 0.013 0.000 0.900 142 G HN 0.790 nan 8.290 nan 0.000 0.538 143 N N 3.338 122.049 118.700 0.019 0.000 2.345 143 N HA 0.400 5.142 4.740 0.003 0.000 0.243 143 N C -2.418 173.113 175.510 0.035 0.000 1.246 143 N CA -0.454 52.610 53.050 0.024 0.000 0.863 143 N CB 0.311 38.812 38.487 0.023 0.000 1.096 143 N HN 0.285 nan 8.380 nan 0.000 0.446 144 P HA 0.146 nan 4.420 nan 0.000 0.271 144 P C -0.310 177.040 177.300 0.084 0.000 1.216 144 P CA 0.033 63.174 63.100 0.067 0.000 0.771 144 P CB 1.030 32.766 31.700 0.060 0.000 0.864 145 S N 2.206 117.976 115.700 0.117 0.000 2.998 145 S HA 0.832 5.304 4.470 0.003 0.000 0.321 145 S C -1.831 172.926 174.600 0.263 0.000 1.171 145 S CA -0.357 57.932 58.200 0.148 0.000 0.882 145 S CB 0.421 63.675 63.200 0.091 0.000 1.301 145 S HN 0.263 nan 8.310 nan 0.000 0.629 146 F N 0.033 119.980 119.950 -0.006 0.000 2.773 146 F HA 0.538 5.067 4.527 0.003 0.000 0.314 146 F C -1.760 173.996 175.800 -0.073 0.000 1.160 146 F CA -1.463 56.500 58.000 -0.062 0.000 0.920 146 F CB 0.629 39.693 39.000 0.106 0.000 1.323 146 F HN 0.596 nan 8.300 nan 0.000 0.457 147 F N 4.779 124.318 119.950 -0.685 0.000 2.539 147 F HA 0.114 4.643 4.527 0.003 0.000 0.393 147 F C 1.691 177.444 175.800 -0.079 0.000 1.032 147 F CA 0.125 57.881 58.000 -0.406 0.000 1.120 147 F CB 0.221 38.861 39.000 -0.600 0.000 1.014 147 F HN 0.282 nan 8.300 nan 0.000 0.546 148 R N 1.923 122.508 120.500 0.141 0.000 2.185 148 R HA -0.203 4.139 4.340 0.003 0.000 0.247 148 R C 0.979 177.407 176.300 0.213 0.000 1.159 148 R CA 1.149 57.343 56.100 0.158 0.000 0.988 148 R CB -0.261 30.091 30.300 0.088 0.000 0.871 148 R HN 0.579 nan 8.270 nan 0.000 0.458 149 N N -0.602 118.216 118.700 0.198 0.000 2.280 149 N HA 0.076 4.818 4.740 0.003 0.000 0.192 149 N C 0.109 175.790 175.510 0.284 0.000 1.109 149 N CA 0.492 53.703 53.050 0.268 0.000 0.855 149 N CB 0.406 38.992 38.487 0.165 0.000 0.974 149 N HN 0.053 nan 8.380 nan 0.000 0.482 150 M N 0.273 120.044 119.600 0.286 0.000 2.662 150 M HA 0.438 4.920 4.480 0.003 0.000 0.310 150 M C -0.455 176.105 176.300 0.433 0.000 1.204 150 M CA -0.982 54.513 55.300 0.325 0.000 0.891 150 M CB 2.056 34.854 32.600 0.331 0.000 1.732 150 M HN -0.414 nan 8.290 nan 0.000 0.467 151 V N 1.092 121.185 119.914 0.298 0.000 2.448 151 V HA 0.355 4.476 4.120 0.003 0.000 0.295 151 V C -1.191 174.958 176.094 0.092 0.000 1.025 151 V CA -0.681 61.723 62.300 0.172 0.000 0.859 151 V CB 2.180 34.013 31.823 0.015 0.000 0.988 151 V HN 0.869 nan 8.190 nan 0.000 0.431 152 W N 6.578 127.715 121.300 -0.270 0.000 2.292 152 W HA 0.529 5.191 4.660 0.003 0.000 0.352 152 W C -0.995 175.345 176.519 -0.298 0.000 0.962 152 W CA -1.752 55.342 57.345 -0.419 0.000 1.496 152 W CB 0.726 29.680 29.460 -0.842 0.000 1.381 152 W HN 0.350 nan 8.180 nan 0.000 0.363 153 L N 5.770 127.046 121.223 0.089 0.000 2.418 153 L HA 0.223 4.565 4.340 0.003 0.000 0.274 153 L C 1.009 178.033 176.870 0.256 0.000 1.135 153 L CA 0.518 55.330 54.840 -0.047 0.000 0.870 153 L CB 0.232 42.093 42.059 -0.332 0.000 1.154 153 L HN 0.392 nan 8.230 nan 0.000 0.462 154 T N -0.396 114.214 114.554 0.093 0.000 2.901 154 T HA 0.575 4.927 4.350 0.003 0.000 0.293 154 T C -0.385 174.426 174.700 0.186 0.000 1.084 154 T CA -1.168 60.988 62.100 0.093 0.000 1.008 154 T CB 1.394 70.037 68.868 -0.376 0.000 1.170 154 T HN 0.559 nan 8.240 nan 0.000 0.509 155 E N 0.669 120.999 120.200 0.216 0.000 2.467 155 E HA 0.067 4.419 4.350 0.003 0.000 0.264 155 E C -0.390 176.214 176.600 0.007 0.000 1.020 155 E CA -0.504 56.007 56.400 0.186 0.000 0.945 155 E CB 0.484 30.255 29.700 0.118 0.000 0.942 155 E HN 0.676 nan 8.360 nan 0.000 0.449 156 K N 2.215 122.592 120.400 -0.038 0.000 2.404 156 K HA 0.301 4.622 4.320 0.003 0.000 0.257 156 K C 0.203 176.768 176.600 -0.058 0.000 1.026 156 K CA 0.120 56.364 56.287 -0.072 0.000 0.951 156 K CB 0.379 32.811 32.500 -0.114 0.000 1.203 156 K HN 0.843 nan 8.250 nan 0.000 0.446 157 G N 2.678 111.449 108.800 -0.049 0.000 2.225 157 G HA2 -0.300 3.662 3.960 0.003 0.000 0.267 157 G HA3 -0.300 3.662 3.960 0.003 0.000 0.267 157 G C 0.146 175.029 174.900 -0.028 0.000 1.024 157 G CA 0.479 45.554 45.100 -0.040 0.000 0.784 157 G HN 0.794 nan 8.290 nan 0.000 0.507 158 S N -1.948 113.740 115.700 -0.020 0.000 3.239 158 S HA -0.154 4.318 4.470 0.003 0.000 0.274 158 S C -0.229 174.379 174.600 0.015 0.000 1.320 158 S CA 0.670 58.868 58.200 -0.003 0.000 0.848 158 S CB -1.407 61.788 63.200 -0.007 0.000 1.075 158 S HN 1.246 nan 8.310 nan 0.000 0.699 159 N N -0.163 118.547 118.700 0.017 0.000 2.369 159 N HA 0.416 5.158 4.740 0.003 0.000 0.287 159 N C -1.882 173.660 175.510 0.054 0.000 1.067 159 N CA -0.229 52.837 53.050 0.027 0.000 0.888 159 N CB 1.648 40.121 38.487 -0.023 0.000 1.616 159 N HN 0.292 nan 8.380 nan 0.000 0.482 160 Y N 4.042 124.336 120.300 -0.010 0.000 2.787 160 Y HA 0.426 4.978 4.550 0.003 0.000 0.352 160 Y C -2.268 173.664 175.900 0.053 0.000 1.027 160 Y CA -1.550 56.572 58.100 0.036 0.000 1.219 160 Y CB 0.977 39.513 38.460 0.126 0.000 1.110 160 Y HN 0.389 nan 8.280 nan 0.000 0.614 161 P HA 0.031 nan 4.420 nan 0.000 0.272 161 P C -0.542 176.882 177.300 0.207 0.000 1.230 161 P CA -0.147 62.980 63.100 0.045 0.000 0.788 161 P CB 0.849 32.495 31.700 -0.090 0.000 0.949 162 V N 0.883 120.917 119.914 0.199 0.000 2.625 162 V HA 0.097 4.219 4.120 0.003 0.000 0.305 162 V C 0.894 177.132 176.094 0.240 0.000 1.055 162 V CA 0.382 62.808 62.300 0.209 0.000 1.209 162 V CB -0.912 31.010 31.823 0.165 0.000 0.877 162 V HN 0.679 nan 8.190 nan 0.000 0.489 163 A N 6.294 129.233 122.820 0.199 0.000 2.252 163 A HA 0.616 4.938 4.320 0.003 0.000 0.309 163 A C 0.059 177.799 177.584 0.259 0.000 1.285 163 A CA -0.656 51.483 52.037 0.171 0.000 0.900 163 A CB 0.272 19.136 19.000 -0.227 0.000 1.157 163 A HN 0.862 nan 8.150 nan 0.000 0.536 164 K N 1.488 122.073 120.400 0.307 0.000 2.345 164 K HA 0.662 4.984 4.320 0.003 0.000 0.255 164 K C -0.232 176.478 176.600 0.184 0.000 0.934 164 K CA -0.415 56.011 56.287 0.233 0.000 0.801 164 K CB 2.493 35.076 32.500 0.138 0.000 1.137 164 K HN 0.817 nan 8.250 nan 0.000 0.424 165 G N 0.784 109.719 108.800 0.225 0.000 2.753 165 G HA2 0.458 4.420 3.960 0.003 0.000 0.295 165 G HA3 0.458 4.420 3.960 0.003 0.000 0.295 165 G C -1.150 173.878 174.900 0.214 0.000 1.437 165 G CA -0.551 44.608 45.100 0.099 0.000 1.094 165 G HN 0.515 nan 8.290 nan 0.000 0.540 166 S N 0.306 116.074 115.700 0.114 0.000 2.632 166 S HA 0.850 5.321 4.470 0.003 0.000 0.289 166 S C -1.488 173.219 174.600 0.178 0.000 1.115 166 S CA -1.040 57.234 58.200 0.124 0.000 0.889 166 S CB 2.397 65.619 63.200 0.037 0.000 1.116 166 S HN 1.504 nan 8.310 nan 0.000 0.486 167 Y N 1.453 121.766 120.300 0.022 0.000 2.358 167 Y HA 0.519 5.071 4.550 0.003 0.000 0.324 167 Y C -1.271 174.636 175.900 0.013 0.000 1.123 167 Y CA -0.777 57.334 58.100 0.019 0.000 1.067 167 Y CB 1.300 39.788 38.460 0.046 0.000 1.230 167 Y HN 0.879 nan 8.280 nan 0.000 0.429 168 N N 4.483 122.814 118.700 -0.614 0.000 2.430 168 N HA 0.081 4.823 4.740 0.003 0.000 0.265 168 N C -0.773 174.126 175.510 -1.019 0.000 1.100 168 N CA 0.008 52.727 53.050 -0.550 0.000 0.961 168 N CB 0.592 38.942 38.487 -0.229 0.000 1.075 168 N HN 0.735 nan 8.380 nan 0.000 0.478 169 N N 2.421 120.733 118.700 -0.648 0.000 2.549 169 N HA -0.011 4.731 4.740 0.003 0.000 0.267 169 N C 0.170 175.471 175.510 -0.349 0.000 1.182 169 N CA 0.021 52.798 53.050 -0.454 0.000 1.019 169 N CB -0.145 38.245 38.487 -0.160 0.000 1.380 169 N HN 0.573 nan 8.380 nan 0.000 0.505 170 T N -1.447 112.965 114.554 -0.238 0.000 3.145 170 T HA 0.009 4.361 4.350 0.003 0.000 0.255 170 T C 1.440 176.047 174.700 -0.155 0.000 1.039 170 T CA 0.144 62.180 62.100 -0.107 0.000 0.928 170 T CB -0.376 68.577 68.868 0.142 0.000 1.029 170 T HN 0.297 nan 8.240 nan 0.000 0.554 171 S N 0.820 116.428 115.700 -0.153 0.000 2.555 171 S HA 0.315 4.787 4.470 0.003 0.000 0.230 171 S C 2.075 176.583 174.600 -0.153 0.000 0.978 171 S CA 0.442 58.599 58.200 -0.072 0.000 0.934 171 S CB -0.954 62.247 63.200 0.002 0.000 0.766 171 S HN 1.256 nan 8.310 nan 0.000 0.533 172 G N 0.040 108.601 108.800 -0.398 0.000 2.148 172 G HA2 -0.229 3.733 3.960 0.003 0.000 0.254 172 G HA3 -0.229 3.733 3.960 0.003 0.000 0.254 172 G C -0.208 174.555 174.900 -0.228 0.000 0.981 172 G CA 0.410 45.300 45.100 -0.350 0.000 0.670 172 G HN 0.637 nan 8.290 nan 0.000 0.528 173 E N -0.691 119.384 120.200 -0.208 0.000 2.390 173 E HA 0.346 4.698 4.350 0.003 0.000 0.277 173 E C -0.104 176.441 176.600 -0.092 0.000 0.939 173 E CA -0.883 55.456 56.400 -0.101 0.000 0.769 173 E CB 1.246 30.944 29.700 -0.005 0.000 1.251 173 E HN 0.294 nan 8.360 nan 0.000 0.450 174 Q N 1.331 121.108 119.800 -0.038 0.000 2.333 174 Q HA 0.046 4.388 4.340 0.003 0.000 0.299 174 Q C -0.546 175.483 176.000 0.049 0.000 1.067 174 Q CA 0.983 56.794 55.803 0.012 0.000 0.943 174 Q CB 0.610 29.380 28.738 0.054 0.000 1.233 174 Q HN 0.360 nan 8.270 nan 0.000 0.401 175 M N 3.552 123.208 119.600 0.093 0.000 2.259 175 M HA 0.283 4.764 4.480 0.003 0.000 0.304 175 M C -1.625 174.803 176.300 0.214 0.000 1.019 175 M CA -1.048 54.330 55.300 0.130 0.000 0.922 175 M CB 1.139 33.819 32.600 0.134 0.000 1.600 175 M HN 0.550 nan 8.290 nan 0.000 0.433 176 L N 7.128 128.505 121.223 0.257 0.000 2.313 176 L HA 0.555 4.896 4.340 0.003 0.000 0.282 176 L C -1.542 175.578 176.870 0.417 0.000 1.092 176 L CA 0.416 55.469 54.840 0.356 0.000 0.831 176 L CB 0.288 42.535 42.059 0.313 0.000 1.159 176 L HN 0.646 nan 8.230 nan 0.000 0.442 177 I N 6.277 127.125 120.570 0.464 0.000 2.509 177 I HA 0.444 4.616 4.170 0.003 0.000 0.293 177 I C -0.552 175.937 176.117 0.619 0.000 1.020 177 I CA -0.589 61.004 61.300 0.488 0.000 1.088 177 I CB 1.936 40.208 38.000 0.454 0.000 1.267 177 I HN 0.530 nan 8.210 nan 0.000 0.430 178 I N 4.695 125.598 120.570 0.555 0.000 2.569 178 I HA 0.476 4.648 4.170 0.003 0.000 0.296 178 I C -1.111 175.320 176.117 0.522 0.000 1.028 178 I CA -0.512 61.071 61.300 0.470 0.000 1.082 178 I CB 1.956 40.138 38.000 0.304 0.000 1.264 178 I HN 0.694 nan 8.210 nan 0.000 0.429 179 W N 4.176 125.614 121.300 0.231 0.000 3.047 179 W HA 0.908 5.570 4.660 0.003 0.000 0.341 179 W C -0.924 175.636 176.519 0.068 0.000 1.225 179 W CA -0.945 56.486 57.345 0.143 0.000 1.150 179 W CB 1.031 30.595 29.460 0.173 0.000 1.470 179 W HN 0.572 nan 8.180 nan 0.000 0.578 180 G N 0.147 108.940 108.800 -0.011 0.000 2.642 180 G HA2 0.644 4.606 3.960 0.003 0.000 0.293 180 G HA3 0.644 4.606 3.960 0.003 0.000 0.293 180 G C -2.356 172.342 174.900 -0.336 0.000 1.341 180 G CA -1.078 43.694 45.100 -0.548 0.000 0.916 180 G HN 0.663 nan 8.290 nan 0.000 0.474 181 V N 1.204 120.829 119.914 -0.481 0.000 2.487 181 V HA 0.359 4.481 4.120 0.003 0.000 0.298 181 V C -0.339 175.389 176.094 -0.610 0.000 1.028 181 V CA -0.855 61.195 62.300 -0.417 0.000 0.860 181 V CB 1.477 33.098 31.823 -0.336 0.000 0.991 181 V HN 0.846 nan 8.190 nan 0.000 0.427 182 H N 5.251 123.992 119.070 -0.549 0.000 2.620 182 H HA 0.328 4.886 4.556 0.003 0.000 0.313 182 H C -0.952 174.168 175.328 -0.348 0.000 1.075 182 H CA -0.660 55.124 56.048 -0.441 0.000 1.397 182 H CB 0.676 30.301 29.762 -0.228 0.000 1.446 182 H HN 0.657 nan 8.280 nan 0.000 0.493 183 H N 6.867 125.681 119.070 -0.427 0.000 2.685 183 H HA 0.214 4.772 4.556 0.003 0.000 0.286 183 H C -2.228 172.854 175.328 -0.411 0.000 1.102 183 H CA -2.256 53.599 56.048 -0.322 0.000 1.254 183 H CB 0.955 30.627 29.762 -0.150 0.000 1.397 183 H HN 0.571 nan 8.280 nan 0.000 0.473 184 P HA -0.045 nan 4.420 nan 0.000 0.271 184 P C 1.006 178.318 177.300 0.020 0.000 1.238 184 P CA 0.047 63.098 63.100 -0.082 0.000 0.794 184 P CB 1.190 32.932 31.700 0.070 0.000 0.959 185 N N -0.034 118.709 118.700 0.071 0.000 2.409 185 N HA -0.043 4.699 4.740 0.003 0.000 0.174 185 N C -0.440 175.098 175.510 0.048 0.000 1.037 185 N CA 0.567 53.654 53.050 0.062 0.000 0.898 185 N CB 0.124 38.658 38.487 0.079 0.000 1.010 185 N HN 0.507 nan 8.380 nan 0.000 0.445 186 D N -2.710 117.723 120.400 0.055 0.000 2.639 186 D HA 0.087 4.729 4.640 0.003 0.000 0.271 186 D C 0.160 176.490 176.300 0.050 0.000 1.254 186 D CA -0.714 53.312 54.000 0.044 0.000 0.810 186 D CB 0.417 41.239 40.800 0.038 0.000 1.351 186 D HN -0.084 nan 8.370 nan 0.000 0.427 187 E N -0.513 119.712 120.200 0.041 0.000 2.153 187 E HA -0.176 4.176 4.350 0.003 0.000 0.194 187 E C 1.020 177.647 176.600 0.045 0.000 0.988 187 E CA 1.570 57.996 56.400 0.043 0.000 0.811 187 E CB -0.007 29.712 29.700 0.032 0.000 0.746 187 E HN 0.556 nan 8.360 nan 0.000 0.466 188 T N 0.635 115.212 114.554 0.037 0.000 2.746 188 T HA -0.187 4.165 4.350 0.003 0.000 0.267 188 T C 1.694 176.413 174.700 0.032 0.000 1.039 188 T CA 1.473 63.590 62.100 0.029 0.000 1.142 188 T CB -0.206 68.675 68.868 0.022 0.000 0.866 188 T HN 0.336 nan 8.240 nan 0.000 0.444 189 E N 0.732 120.962 120.200 0.050 0.000 2.077 189 E HA -0.256 4.096 4.350 0.003 0.000 0.193 189 E C 2.300 178.943 176.600 0.071 0.000 0.989 189 E CA 1.218 57.656 56.400 0.063 0.000 0.800 189 E CB -0.096 29.671 29.700 0.110 0.000 0.746 189 E HN 0.369 nan 8.360 nan 0.000 0.452 190 Q N 0.913 120.783 119.800 0.115 0.000 2.096 190 Q HA -0.185 4.157 4.340 0.003 0.000 0.204 190 Q C 2.017 178.098 176.000 0.135 0.000 0.982 190 Q CA 1.913 57.834 55.803 0.196 0.000 0.850 190 Q CB -0.049 28.782 28.738 0.154 0.000 0.901 190 Q HN 0.208 nan 8.270 nan 0.000 0.422 191 R N -0.852 119.683 120.500 0.057 0.000 2.062 191 R HA -0.024 4.318 4.340 0.003 0.000 0.226 191 R C 2.280 178.563 176.300 -0.028 0.000 1.125 191 R CA 1.683 57.800 56.100 0.027 0.000 0.966 191 R CB -0.364 29.949 30.300 0.022 0.000 0.861 191 R HN 0.491 nan 8.270 nan 0.000 0.433 192 T N -0.488 114.033 114.554 -0.055 0.000 3.051 192 T HA 0.002 4.354 4.350 0.003 0.000 0.269 192 T C 1.765 176.347 174.700 -0.198 0.000 1.127 192 T CA 0.755 62.797 62.100 -0.096 0.000 1.107 192 T CB 0.001 68.822 68.868 -0.078 0.000 0.898 192 T HN 0.121 nan 8.240 nan 0.000 0.517 193 L N -1.823 119.210 121.223 -0.317 0.000 2.425 193 L HA 0.321 4.663 4.340 0.003 0.000 0.215 193 L C 1.207 177.629 176.870 -0.746 0.000 1.065 193 L CA 0.531 54.949 54.840 -0.703 0.000 0.842 193 L CB 0.317 41.716 42.059 -1.100 0.000 1.033 193 L HN 0.248 nan 8.230 nan 0.000 0.474 194 Y N -2.698 117.580 120.300 -0.037 0.000 2.666 194 Y HA 0.180 4.732 4.550 0.003 0.000 0.260 194 Y C 1.285 177.138 175.900 -0.078 0.000 1.089 194 Y CA -0.475 57.549 58.100 -0.128 0.000 1.246 194 Y CB 0.645 38.918 38.460 -0.311 0.000 1.353 194 Y HN -0.086 nan 8.280 nan 0.000 0.558 195 Q N -0.019 119.827 119.800 0.077 0.000 1.970 195 Q HA -0.293 4.049 4.340 0.003 0.000 0.173 195 Q C -0.393 175.640 176.000 0.056 0.000 2.933 195 Q CA 2.186 58.027 55.803 0.063 0.000 0.186 195 Q CB -1.547 27.244 28.738 0.088 0.000 0.204 195 Q HN 0.664 nan 8.270 nan 0.000 0.365 196 N N -0.076 118.652 118.700 0.046 0.000 2.399 196 N HA 0.257 4.999 4.740 0.003 0.000 0.250 196 N C 1.160 176.681 175.510 0.019 0.000 1.272 196 N CA 0.385 53.449 53.050 0.024 0.000 0.928 196 N CB 0.658 39.144 38.487 -0.002 0.000 1.158 196 N HN 0.093 nan 8.380 nan 0.000 0.463 197 V N -1.014 118.912 119.914 0.020 0.000 3.090 197 V HA 0.258 4.380 4.120 0.003 0.000 0.237 197 V C 1.272 177.376 176.094 0.017 0.000 1.209 197 V CA 0.379 62.694 62.300 0.025 0.000 1.209 197 V CB -0.106 31.735 31.823 0.030 0.000 0.971 197 V HN 0.800 nan 8.190 nan 0.000 0.477 198 G N 3.016 111.832 108.800 0.027 0.000 3.636 198 G HA2 0.402 4.364 3.960 0.003 0.000 0.260 198 G HA3 0.402 4.364 3.960 0.003 0.000 0.260 198 G C 0.403 175.342 174.900 0.064 0.000 1.014 198 G CA 0.539 45.664 45.100 0.043 0.000 1.797 198 G HN 0.494 nan 8.290 nan 0.000 0.637 199 T N -1.131 113.428 114.554 0.008 0.000 2.862 199 T HA 0.721 5.073 4.350 0.003 0.000 0.276 199 T C -0.297 174.437 174.700 0.056 0.000 0.974 199 T CA -0.681 61.388 62.100 -0.052 0.000 0.966 199 T CB 1.410 70.129 68.868 -0.248 0.000 1.072 199 T HN 0.728 nan 8.240 nan 0.000 0.538 200 Y N -2.453 117.803 120.300 -0.073 0.000 2.609 200 Y HA 0.711 5.263 4.550 0.003 0.000 0.336 200 Y C -1.865 174.012 175.900 -0.039 0.000 1.129 200 Y CA -1.658 56.417 58.100 -0.041 0.000 1.040 200 Y CB 0.838 39.291 38.460 -0.011 0.000 1.310 200 Y HN 0.529 nan 8.280 nan 0.000 0.460 201 V N 2.236 122.225 119.914 0.124 0.000 2.487 201 V HA 0.627 4.749 4.120 0.003 0.000 0.298 201 V C -0.721 175.497 176.094 0.206 0.000 1.028 201 V CA -0.479 61.875 62.300 0.091 0.000 0.860 201 V CB 1.614 33.474 31.823 0.063 0.000 0.991 201 V HN 0.835 nan 8.190 nan 0.000 0.427 202 S N 3.561 119.374 115.700 0.188 0.000 2.561 202 S HA 0.802 5.274 4.470 0.003 0.000 0.303 202 S C -0.948 173.619 174.600 -0.055 0.000 1.110 202 S CA -0.416 57.857 58.200 0.121 0.000 1.034 202 S CB 1.529 64.851 63.200 0.204 0.000 1.010 202 S HN 0.472 nan 8.310 nan 0.000 0.482 203 V N 3.276 123.074 119.914 -0.194 0.000 2.588 203 V HA 0.876 4.998 4.120 0.003 0.000 0.304 203 V C 0.452 176.334 176.094 -0.353 0.000 1.042 203 V CA -0.537 61.468 62.300 -0.493 0.000 0.877 203 V CB 1.734 32.981 31.823 -0.959 0.000 0.996 203 V HN 0.929 nan 8.190 nan 0.000 0.425 204 G N 1.978 110.553 108.800 -0.374 0.000 2.620 204 G HA2 0.824 4.786 3.960 0.003 0.000 0.301 204 G HA3 0.824 4.786 3.960 0.003 0.000 0.301 204 G C -0.600 174.170 174.900 -0.217 0.000 1.347 204 G CA 0.078 45.041 45.100 -0.228 0.000 0.971 204 G HN 0.905 nan 8.290 nan 0.000 0.488 205 T N -2.592 111.882 114.554 -0.133 0.000 2.618 205 T HA 0.492 4.844 4.350 0.003 0.000 0.293 205 T C 1.241 175.911 174.700 -0.050 0.000 1.093 205 T CA 0.229 62.275 62.100 -0.089 0.000 1.061 205 T CB 1.018 69.847 68.868 -0.065 0.000 1.498 205 T HN 0.288 nan 8.240 nan 0.000 0.494 206 S N -0.128 115.557 115.700 -0.025 0.000 2.481 206 S HA 0.053 4.525 4.470 0.003 0.000 0.231 206 S C 1.520 176.116 174.600 -0.007 0.000 0.996 206 S CA 1.320 59.513 58.200 -0.011 0.000 0.942 206 S CB -0.486 62.717 63.200 0.005 0.000 0.768 206 S HN 0.791 nan 8.310 nan 0.000 0.520 207 T N 0.521 115.071 114.554 -0.007 0.000 3.019 207 T HA 0.326 4.678 4.350 0.003 0.000 0.247 207 T C 0.011 174.707 174.700 -0.007 0.000 0.992 207 T CA -0.222 61.879 62.100 0.001 0.000 1.036 207 T CB 0.118 68.995 68.868 0.014 0.000 1.063 207 T HN 0.120 nan 8.240 nan 0.000 0.476 208 L N 3.157 124.369 121.223 -0.017 0.000 2.276 208 L HA 0.640 4.982 4.340 0.003 0.000 0.286 208 L C -0.747 176.099 176.870 -0.041 0.000 1.061 208 L CA -0.362 54.466 54.840 -0.019 0.000 0.807 208 L CB 0.911 42.962 42.059 -0.014 0.000 1.177 208 L HN -0.012 nan 8.230 nan 0.000 0.429 209 N N 4.393 123.080 118.700 -0.021 0.000 2.461 209 N HA 0.488 5.230 4.740 0.003 0.000 0.284 209 N C -1.637 173.872 175.510 -0.001 0.000 1.049 209 N CA -0.584 52.449 53.050 -0.028 0.000 0.889 209 N CB 1.077 39.550 38.487 -0.023 0.000 1.365 209 N HN 0.626 nan 8.380 nan 0.000 0.499 210 K N 2.402 122.801 120.400 -0.002 0.000 2.535 210 K HA 0.434 4.756 4.320 0.003 0.000 0.251 210 K C -1.555 175.077 176.600 0.053 0.000 0.942 210 K CA -0.693 55.626 56.287 0.053 0.000 0.798 210 K CB 1.419 34.006 32.500 0.145 0.000 1.267 210 K HN 0.511 nan 8.250 nan 0.000 0.434 211 R N 2.645 123.183 120.500 0.064 0.000 2.435 211 R HA 0.378 4.720 4.340 0.003 0.000 0.308 211 R C -1.288 175.075 176.300 0.104 0.000 0.975 211 R CA -0.375 55.774 56.100 0.081 0.000 0.867 211 R CB 1.586 31.897 30.300 0.018 0.000 1.171 211 R HN 0.650 nan 8.270 nan 0.000 0.470 212 S N 1.596 117.383 115.700 0.145 0.000 2.608 212 S HA 0.455 4.927 4.470 0.003 0.000 0.291 212 S C -0.289 174.386 174.600 0.124 0.000 1.146 212 S CA -0.657 57.620 58.200 0.129 0.000 1.043 212 S CB 1.838 65.125 63.200 0.144 0.000 1.037 212 S HN 0.673 nan 8.310 nan 0.000 0.520 213 T N -0.352 114.264 114.554 0.104 0.000 2.887 213 T HA 0.642 4.994 4.350 0.003 0.000 0.288 213 T C -3.202 171.561 174.700 0.105 0.000 1.021 213 T CA -2.517 59.637 62.100 0.090 0.000 1.000 213 T CB 1.031 69.944 68.868 0.075 0.000 1.034 213 T HN 0.187 nan 8.240 nan 0.000 0.467 214 P HA 0.312 nan 4.420 nan 0.000 0.268 214 P C -0.820 176.574 177.300 0.155 0.000 1.205 214 P CA -0.227 62.979 63.100 0.177 0.000 0.771 214 P CB 0.257 31.976 31.700 0.032 0.000 0.858 215 D N 2.713 123.198 120.400 0.141 0.000 2.518 215 D HA 0.224 4.866 4.640 0.003 0.000 0.230 215 D C 0.147 176.403 176.300 -0.072 0.000 1.138 215 D CA -0.054 53.874 54.000 -0.120 0.000 0.964 215 D CB -0.323 40.236 40.800 -0.402 0.000 1.011 215 D HN 0.237 nan 8.370 nan 0.000 0.517 216 I N 1.882 122.450 120.570 -0.004 0.000 2.421 216 I HA 0.351 4.523 4.170 0.003 0.000 0.291 216 I C 0.602 176.714 176.117 -0.009 0.000 1.089 216 I CA 0.025 61.329 61.300 0.008 0.000 1.354 216 I CB 0.319 38.334 38.000 0.026 0.000 1.413 216 I HN 0.215 nan 8.210 nan 0.000 0.513 217 A N 4.511 127.324 122.820 -0.011 0.000 2.602 217 A HA 0.697 5.019 4.320 0.003 0.000 0.290 217 A C -0.501 177.084 177.584 0.002 0.000 1.114 217 A CA -0.568 51.463 52.037 -0.011 0.000 0.683 217 A CB 1.505 20.486 19.000 -0.032 0.000 1.281 217 A HN 0.449 nan 8.150 nan 0.000 0.416 218 T N 1.551 116.107 114.554 0.004 0.000 2.817 218 T HA 0.598 4.950 4.350 0.003 0.000 0.293 218 T C -0.070 174.635 174.700 0.008 0.000 0.964 218 T CA 0.036 62.142 62.100 0.010 0.000 1.085 218 T CB 0.125 68.999 68.868 0.010 0.000 0.921 218 T HN 0.600 nan 8.240 nan 0.000 0.502 219 R N 2.645 123.153 120.500 0.014 0.000 2.799 219 R HA 0.550 4.892 4.340 0.003 0.000 0.270 219 R C -2.888 173.421 176.300 0.015 0.000 1.010 219 R CA -2.078 54.030 56.100 0.013 0.000 0.916 219 R CB 0.420 30.730 30.300 0.017 0.000 1.228 219 R HN 0.363 nan 8.270 nan 0.000 0.469 220 P HA 0.094 nan 4.420 nan 0.000 0.272 220 P C -1.004 176.303 177.300 0.011 0.000 1.230 220 P CA -0.405 62.702 63.100 0.012 0.000 0.788 220 P CB 0.528 32.234 31.700 0.011 0.000 0.949 221 K N 0.587 120.992 120.400 0.008 0.000 2.276 221 K HA 0.388 4.710 4.320 0.003 0.000 0.283 221 K C -0.762 175.836 176.600 -0.003 0.000 1.044 221 K CA -0.551 55.737 56.287 0.001 0.000 0.944 221 K CB 0.725 33.224 32.500 -0.000 0.000 1.012 221 K HN 0.142 nan 8.250 nan 0.000 0.472 222 V N 4.246 124.152 119.914 -0.013 0.000 2.409 222 V HA 0.085 4.207 4.120 0.003 0.000 0.291 222 V C -0.190 175.881 176.094 -0.039 0.000 1.020 222 V CA -0.909 61.382 62.300 -0.014 0.000 0.848 222 V CB 1.261 33.084 31.823 0.000 0.000 0.990 222 V HN 0.872 nan 8.190 nan 0.000 0.430 223 N N 3.863 122.546 118.700 -0.028 0.000 2.708 223 N HA -0.215 4.527 4.740 0.003 0.000 0.249 223 N C 1.130 176.610 175.510 -0.050 0.000 1.097 223 N CA 1.582 54.609 53.050 -0.038 0.000 0.710 223 N CB -1.233 37.222 38.487 -0.052 0.000 1.032 223 N HN 1.570 nan 8.380 nan 0.000 0.551 224 G N -1.735 107.045 108.800 -0.034 0.000 2.148 224 G HA2 -0.306 3.656 3.960 0.003 0.000 0.254 224 G HA3 -0.306 3.656 3.960 0.003 0.000 0.254 224 G C -0.162 174.718 174.900 -0.034 0.000 0.981 224 G CA 0.534 45.618 45.100 -0.026 0.000 0.670 224 G HN 0.447 nan 8.290 nan 0.000 0.528 225 L N -0.257 120.929 121.223 -0.062 0.000 2.362 225 L HA 0.653 4.995 4.340 0.003 0.000 0.275 225 L C 1.495 178.351 176.870 -0.023 0.000 0.998 225 L CA -0.209 54.588 54.840 -0.072 0.000 0.820 225 L CB 1.906 43.819 42.059 -0.245 0.000 1.270 225 L HN 0.086 nan 8.230 nan 0.000 0.415 226 G N 0.705 109.520 108.800 0.025 0.000 2.683 226 G HA2 -0.030 3.932 3.960 0.003 0.000 0.213 226 G HA3 -0.030 3.932 3.960 0.003 0.000 0.213 226 G C 0.629 175.573 174.900 0.073 0.000 1.142 226 G CA 0.254 45.379 45.100 0.042 0.000 0.793 226 G HN 0.583 nan 8.290 nan 0.000 0.534 227 S N 0.113 115.888 115.700 0.126 0.000 2.645 227 S HA 0.754 5.226 4.470 0.003 0.000 0.266 227 S C -0.127 174.630 174.600 0.261 0.000 1.258 227 S CA -0.560 57.761 58.200 0.203 0.000 0.990 227 S CB 1.652 65.086 63.200 0.390 0.000 0.967 227 S HN 0.174 nan 8.310 nan 0.000 0.556 228 R N -0.307 120.371 120.500 0.298 0.000 2.707 228 R HA 0.470 4.811 4.340 0.003 0.000 0.272 228 R C -1.344 175.105 176.300 0.248 0.000 1.011 228 R CA -0.587 55.705 56.100 0.319 0.000 0.893 228 R CB 1.803 32.233 30.300 0.216 0.000 1.233 228 R HN 0.693 nan 8.270 nan 0.000 0.464 229 M N 1.384 121.088 119.600 0.173 0.000 2.190 229 M HA 0.303 4.785 4.480 0.003 0.000 0.312 229 M C -0.362 175.718 176.300 -0.365 0.000 0.990 229 M CA -0.409 54.749 55.300 -0.237 0.000 0.927 229 M CB 2.409 34.774 32.600 -0.391 0.000 1.571 229 M HN 0.430 nan 8.290 nan 0.000 0.427 230 E N 3.913 123.815 120.200 -0.497 0.000 2.113 230 E HA 0.425 4.777 4.350 0.003 0.000 0.273 230 E C -1.665 174.558 176.600 -0.629 0.000 0.924 230 E CA -0.388 55.808 56.400 -0.341 0.000 0.764 230 E CB 0.927 30.591 29.700 -0.061 0.000 1.104 230 E HN 0.452 nan 8.360 nan 0.000 0.406 231 F N 2.085 121.746 119.950 -0.482 0.000 2.399 231 F HA 0.391 4.920 4.527 0.003 0.000 0.334 231 F C 0.539 175.805 175.800 -0.890 0.000 1.097 231 F CA -0.358 57.165 58.000 -0.795 0.000 1.076 231 F CB 2.006 40.319 39.000 -1.144 0.000 1.162 231 F HN 0.297 nan 8.300 nan 0.000 0.495 232 S N 1.981 117.166 115.700 -0.857 0.000 2.671 232 S HA 0.603 5.075 4.470 0.003 0.000 0.299 232 S C -1.561 172.565 174.600 -0.791 0.000 1.116 232 S CA -0.758 56.913 58.200 -0.882 0.000 0.912 232 S CB 2.175 64.679 63.200 -1.161 0.000 1.130 232 S HN 0.704 nan 8.310 nan 0.000 0.501 233 W N -0.027 120.977 121.300 -0.493 0.000 3.118 233 W HA 0.764 5.426 4.660 0.003 0.000 0.328 233 W C -1.447 175.204 176.519 0.219 0.000 1.239 233 W CA -0.662 56.664 57.345 -0.030 0.000 1.176 233 W CB 0.912 30.493 29.460 0.200 0.000 1.433 233 W HN 0.688 nan 8.180 nan 0.000 0.562 234 T N 1.127 116.047 114.554 0.610 0.000 2.840 234 T HA 0.499 4.851 4.350 0.003 0.000 0.317 234 T C -1.731 173.267 174.700 0.497 0.000 1.401 234 T CA -0.658 61.667 62.100 0.374 0.000 1.028 234 T CB 1.590 70.648 68.868 0.317 0.000 1.317 234 T HN 0.472 nan 8.240 nan 0.000 0.495 235 L N 3.734 125.180 121.223 0.371 0.000 2.255 235 L HA 0.485 4.827 4.340 0.003 0.000 0.289 235 L C -0.454 176.537 176.870 0.201 0.000 1.046 235 L CA -0.914 54.114 54.840 0.314 0.000 0.816 235 L CB 1.104 43.341 42.059 0.297 0.000 1.197 235 L HN 0.480 nan 8.230 nan 0.000 0.427 236 L N 4.329 125.665 121.223 0.188 0.000 2.325 236 L HA 0.254 4.596 4.340 0.003 0.000 0.284 236 L C 0.131 177.044 176.870 0.071 0.000 1.089 236 L CA 0.067 54.981 54.840 0.122 0.000 0.836 236 L CB 0.308 42.455 42.059 0.147 0.000 1.184 236 L HN 0.424 nan 8.230 nan 0.000 0.444 237 D N 4.246 124.673 120.400 0.045 0.000 2.364 237 D HA 0.070 4.712 4.640 0.003 0.000 0.236 237 D C 0.393 176.652 176.300 -0.068 0.000 1.221 237 D CA 0.364 54.370 54.000 0.010 0.000 0.891 237 D CB 0.469 41.288 40.800 0.031 0.000 1.190 237 D HN 0.499 nan 8.370 nan 0.000 0.449 238 M N 0.653 120.159 119.600 -0.156 0.000 2.252 238 M HA -0.034 4.447 4.480 0.003 0.000 0.348 238 M C 0.137 176.247 176.300 -0.316 0.000 1.334 238 M CA 0.689 55.709 55.300 -0.467 0.000 1.071 238 M CB -0.006 32.223 32.600 -0.618 0.000 1.763 238 M HN 0.610 nan 8.290 nan 0.000 0.452 239 W N -0.376 120.905 121.300 -0.031 0.000 2.560 239 W HA -0.242 4.420 4.660 0.003 0.000 0.279 239 W C -0.005 176.476 176.519 -0.063 0.000 1.090 239 W CA 0.094 57.407 57.345 -0.054 0.000 0.535 239 W CB -1.574 27.865 29.460 -0.034 0.000 2.121 239 W HN 0.558 nan 8.180 nan 0.000 1.314 240 D N -0.023 120.414 120.400 0.062 0.000 2.268 240 D HA 0.568 5.210 4.640 0.003 0.000 0.249 240 D C 0.119 176.394 176.300 -0.041 0.000 1.008 240 D CA -0.030 53.984 54.000 0.024 0.000 0.939 240 D CB 1.420 42.233 40.800 0.021 0.000 1.170 240 D HN -0.164 nan 8.370 nan 0.000 0.468 241 T N 1.705 116.232 114.554 -0.045 0.000 2.888 241 T HA 0.494 4.846 4.350 0.003 0.000 0.284 241 T C -0.400 174.256 174.700 -0.073 0.000 1.017 241 T CA -0.529 61.526 62.100 -0.075 0.000 1.022 241 T CB 0.767 69.595 68.868 -0.067 0.000 1.013 241 T HN 0.331 nan 8.240 nan 0.000 0.465 242 I N 3.078 123.605 120.570 -0.072 0.000 2.441 242 I HA 0.457 4.629 4.170 0.003 0.000 0.295 242 I C -0.941 175.025 176.117 -0.251 0.000 0.994 242 I CA -0.764 60.422 61.300 -0.189 0.000 1.144 242 I CB 0.973 38.859 38.000 -0.191 0.000 1.314 242 I HN 0.459 nan 8.210 nan 0.000 0.445 243 N N 7.484 125.962 118.700 -0.369 0.000 2.407 243 N HA 0.386 5.128 4.740 0.003 0.000 0.277 243 N C -1.507 173.752 175.510 -0.419 0.000 0.995 243 N CA -0.235 52.656 53.050 -0.265 0.000 0.903 243 N CB 1.640 40.049 38.487 -0.131 0.000 1.218 243 N HN 0.341 nan 8.380 nan 0.000 0.487 244 F N 0.728 120.664 119.950 -0.024 0.000 2.422 244 F HA 0.389 4.918 4.527 0.003 0.000 0.333 244 F C 0.834 176.659 175.800 0.041 0.000 1.095 244 F CA -0.519 57.463 58.000 -0.031 0.000 1.038 244 F CB 1.700 40.712 39.000 0.021 0.000 1.156 244 F HN 0.273 nan 8.300 nan 0.000 0.483 245 E N 1.622 121.947 120.200 0.209 0.000 2.335 245 E HA 0.530 4.882 4.350 0.003 0.000 0.280 245 E C -1.785 174.879 176.600 0.106 0.000 0.918 245 E CA -0.484 56.026 56.400 0.182 0.000 0.765 245 E CB 2.062 31.879 29.700 0.196 0.000 1.218 245 E HN 0.566 nan 8.360 nan 0.000 0.425 246 S N 1.444 117.129 115.700 -0.026 0.000 2.542 246 S HA 0.237 4.709 4.470 0.003 0.000 0.276 246 S C -0.068 174.368 174.600 -0.275 0.000 1.148 246 S CA -0.063 57.956 58.200 -0.301 0.000 0.886 246 S CB 1.394 64.499 63.200 -0.160 0.000 1.109 246 S HN 0.582 nan 8.310 nan 0.000 0.458 247 T N 0.495 114.669 114.554 -0.635 0.000 3.122 247 T HA 0.597 4.949 4.350 0.003 0.000 0.250 247 T C 0.874 175.259 174.700 -0.525 0.000 1.067 247 T CA 0.304 62.219 62.100 -0.307 0.000 0.966 247 T CB -0.216 68.469 68.868 -0.305 0.000 1.002 247 T HN 1.524 nan 8.240 nan 0.000 0.542 248 G N 0.719 109.116 108.800 -0.671 0.000 2.337 248 G HA2 0.287 4.249 3.960 0.003 0.000 0.310 248 G HA3 0.287 4.249 3.960 0.003 0.000 0.310 248 G C -0.318 174.066 174.900 -0.861 0.000 1.534 248 G CA -0.411 44.009 45.100 -1.133 0.000 0.982 248 G HN 0.026 nan 8.290 nan 0.000 0.672 249 N N -2.280 115.677 118.700 -1.238 0.000 2.948 249 N HA -0.184 4.558 4.740 0.003 0.000 0.239 249 N C 0.401 175.713 175.510 -0.328 0.000 0.954 249 N CA 1.091 53.654 53.050 -0.812 0.000 0.941 249 N CB -0.669 37.450 38.487 -0.614 0.000 1.101 249 N HN 1.036 nan 8.380 nan 0.000 0.579 250 L N 2.553 123.635 121.223 -0.235 0.000 2.319 250 L HA 0.348 4.690 4.340 0.003 0.000 0.280 250 L C -0.041 176.751 176.870 -0.129 0.000 1.099 250 L CA -0.036 54.718 54.840 -0.145 0.000 0.828 250 L CB 0.445 42.417 42.059 -0.146 0.000 1.150 250 L HN -0.012 nan 8.230 nan 0.000 0.442 251 I N 6.320 126.812 120.570 -0.130 0.000 2.307 251 I HA 0.399 4.571 4.170 0.003 0.000 0.287 251 I C 0.556 176.651 176.117 -0.036 0.000 1.054 251 I CA -0.367 60.877 61.300 -0.095 0.000 1.218 251 I CB 0.148 38.066 38.000 -0.137 0.000 1.398 251 I HN 0.758 nan 8.210 nan 0.000 0.475 252 A N 9.417 132.162 122.820 -0.125 0.000 2.302 252 A HA 0.809 5.131 4.320 0.003 0.000 0.285 252 A C -2.435 175.119 177.584 -0.049 0.000 1.105 252 A CA -1.299 50.607 52.037 -0.217 0.000 0.816 252 A CB 0.242 19.032 19.000 -0.351 0.000 1.067 252 A HN 0.401 nan 8.150 nan 0.000 0.489 253 P HA 0.217 nan 4.420 nan 0.000 0.275 253 P C 0.072 177.387 177.300 0.026 0.000 1.228 253 P CA -0.055 63.074 63.100 0.047 0.000 0.786 253 P CB 1.007 32.760 31.700 0.088 0.000 0.927 254 E N 0.845 121.055 120.200 0.016 0.000 2.372 254 E HA 0.043 4.395 4.350 0.003 0.000 0.201 254 E C -0.427 175.870 176.600 -0.505 0.000 0.938 254 E CA 0.227 56.511 56.400 -0.193 0.000 0.944 254 E CB 0.259 29.844 29.700 -0.192 0.000 0.937 254 E HN 0.435 nan 8.360 nan 0.000 0.495 255 Y N -1.121 119.094 120.300 -0.141 0.000 2.598 255 Y HA 0.650 5.201 4.550 0.003 0.000 0.340 255 Y C 0.518 176.189 175.900 -0.383 0.000 1.038 255 Y CA -0.707 57.205 58.100 -0.314 0.000 1.100 255 Y CB 2.143 40.346 38.460 -0.428 0.000 1.281 255 Y HN -0.078 nan 8.280 nan 0.000 0.488 256 G N 0.157 108.745 108.800 -0.353 0.000 2.658 256 G HA2 0.662 4.624 3.960 0.003 0.000 0.292 256 G HA3 0.662 4.624 3.960 0.003 0.000 0.292 256 G C -2.181 172.339 174.900 -0.634 0.000 1.320 256 G CA -0.761 44.143 45.100 -0.327 0.000 0.933 256 G HN 0.323 nan 8.290 nan 0.000 0.476 257 F N 0.665 120.541 119.950 -0.124 0.000 2.434 257 F HA 0.418 4.947 4.527 0.003 0.000 0.355 257 F C 0.656 176.270 175.800 -0.311 0.000 1.115 257 F CA -0.825 56.956 58.000 -0.365 0.000 1.010 257 F CB 2.093 40.797 39.000 -0.493 0.000 1.234 257 F HN 0.073 nan 8.300 nan 0.000 0.439 258 K N 4.131 124.405 120.400 -0.209 0.000 2.453 258 K HA 0.286 4.608 4.320 0.003 0.000 0.280 258 K C -0.562 175.949 176.600 -0.149 0.000 1.045 258 K CA 0.351 56.565 56.287 -0.121 0.000 1.059 258 K CB 0.730 33.180 32.500 -0.083 0.000 0.901 258 K HN 0.642 nan 8.250 nan 0.000 0.475 259 I N 1.581 122.153 120.570 0.004 0.000 2.499 259 I HA 0.166 4.338 4.170 0.003 0.000 0.288 259 I C -1.257 174.903 176.117 0.072 0.000 1.048 259 I CA -0.225 61.122 61.300 0.079 0.000 1.062 259 I CB 1.807 39.918 38.000 0.185 0.000 1.238 259 I HN 0.463 nan 8.210 nan 0.000 0.426 260 S N 7.849 123.588 115.700 0.064 0.000 2.659 260 S HA 0.574 5.046 4.470 0.003 0.000 0.312 260 S C -1.114 173.482 174.600 -0.006 0.000 1.114 260 S CA -0.697 57.530 58.200 0.044 0.000 1.063 260 S CB 0.582 63.824 63.200 0.071 0.000 0.996 260 S HN 0.672 nan 8.310 nan 0.000 0.478 261 K N 1.765 122.155 120.400 -0.016 0.000 2.375 261 K HA 0.958 5.280 4.320 0.003 0.000 0.249 261 K C 0.224 176.802 176.600 -0.038 0.000 0.942 261 K CA -0.779 55.475 56.287 -0.055 0.000 0.806 261 K CB 1.731 34.191 32.500 -0.066 0.000 1.227 261 K HN 0.775 nan 8.250 nan 0.000 0.430 262 R N 0.623 121.089 120.500 -0.057 0.000 1.452 262 R HA 0.062 4.404 4.340 0.003 0.000 0.013 262 R C 0.889 177.121 176.300 -0.113 0.000 0.957 262 R CA 0.613 56.656 56.100 -0.095 0.000 1.949 262 R CB -2.006 28.215 30.300 -0.132 0.000 0.219 262 R HN 1.175 nan 8.270 nan 0.000 0.727 263 G N -1.259 107.457 108.800 -0.139 0.000 3.842 263 G HA2 0.533 4.495 3.960 0.003 0.000 0.153 263 G HA3 0.533 4.495 3.960 0.003 0.000 0.153 263 G C 0.403 175.207 174.900 -0.160 0.000 1.165 263 G CA 1.580 46.578 45.100 -0.171 0.000 0.819 263 G HN 2.151 nan 8.290 nan 0.000 0.717 264 S N -0.996 114.611 115.700 -0.154 0.000 3.152 264 S HA 0.038 4.510 4.470 0.003 0.000 0.857 264 S C 0.272 174.815 174.600 -0.095 0.000 1.044 264 S CA 1.387 59.489 58.200 -0.164 0.000 1.231 264 S CB -0.771 62.346 63.200 -0.139 0.000 0.871 264 S HN 1.723 nan 8.310 nan 0.000 0.252 265 S N 3.357 119.013 115.700 -0.073 0.000 4.228 265 S HA 0.969 5.441 4.470 0.003 0.000 0.207 265 S C 0.351 174.979 174.600 0.046 0.000 1.152 265 S CA 0.859 59.156 58.200 0.162 0.000 1.645 265 S CB 0.971 64.323 63.200 0.252 0.000 1.307 265 S HN 2.269 nan 8.310 nan 0.000 0.761 266 G N 0.173 109.008 108.800 0.058 0.000 2.495 266 G HA2 0.552 4.514 3.960 0.003 0.000 0.294 266 G HA3 0.552 4.514 3.960 0.003 0.000 0.294 266 G C -2.021 172.889 174.900 0.016 0.000 1.397 266 G CA -0.724 44.381 45.100 0.009 0.000 0.790 266 G HN 0.657 nan 8.290 nan 0.000 0.486 267 I N 0.747 121.299 120.570 -0.031 0.000 2.412 267 I HA 0.482 4.654 4.170 0.003 0.000 0.296 267 I C -0.032 176.061 176.117 -0.040 0.000 0.987 267 I CA -0.640 60.631 61.300 -0.048 0.000 1.180 267 I CB 2.020 39.952 38.000 -0.114 0.000 1.340 267 I HN 0.457 nan 8.210 nan 0.000 0.455 268 M N 6.566 126.162 119.600 -0.007 0.000 2.149 268 M HA 0.372 4.854 4.480 0.003 0.000 0.342 268 M C -1.105 175.158 176.300 -0.062 0.000 1.068 268 M CA -0.660 54.619 55.300 -0.035 0.000 0.991 268 M CB 0.710 33.315 32.600 0.008 0.000 1.596 268 M HN 0.267 nan 8.290 nan 0.000 0.439 269 K N 3.617 123.972 120.400 -0.074 0.000 2.316 269 K HA 0.438 4.760 4.320 0.003 0.000 0.289 269 K C -0.477 176.077 176.600 -0.076 0.000 1.070 269 K CA -0.084 56.160 56.287 -0.071 0.000 0.928 269 K CB 0.995 33.464 32.500 -0.052 0.000 1.039 269 K HN 0.807 nan 8.250 nan 0.000 0.480 270 T N 0.733 115.243 114.554 -0.074 0.000 2.786 270 T HA 0.230 4.582 4.350 0.003 0.000 0.316 270 T C -0.291 174.370 174.700 -0.066 0.000 1.503 270 T CA -0.482 61.575 62.100 -0.072 0.000 1.019 270 T CB 0.998 69.820 68.868 -0.077 0.000 1.415 270 T HN 0.461 nan 8.240 nan 0.000 0.496 271 E N 0.738 120.905 120.200 -0.056 0.000 2.431 271 E HA 0.221 4.573 4.350 0.003 0.000 0.200 271 E C 1.192 177.760 176.600 -0.053 0.000 0.995 271 E CA 0.120 56.490 56.400 -0.051 0.000 0.915 271 E CB 0.273 29.951 29.700 -0.037 0.000 0.930 271 E HN 0.734 nan 8.360 nan 0.000 0.496 272 G N 1.459 110.228 108.800 -0.052 0.000 2.611 272 G HA2 0.276 4.238 3.960 0.003 0.000 0.273 272 G HA3 0.276 4.238 3.960 0.003 0.000 0.273 272 G C 0.107 174.973 174.900 -0.058 0.000 1.305 272 G CA 0.187 45.259 45.100 -0.046 0.000 1.010 272 G HN 0.125 nan 8.290 nan 0.000 0.509 273 T N -2.480 112.044 114.554 -0.051 0.000 2.916 273 T HA 0.525 4.877 4.350 0.003 0.000 0.292 273 T C -0.240 174.428 174.700 -0.052 0.000 1.055 273 T CA -0.848 61.214 62.100 -0.063 0.000 1.009 273 T CB 1.662 70.494 68.868 -0.059 0.000 1.118 273 T HN 0.518 nan 8.240 nan 0.000 0.497 274 L N 1.450 122.632 121.223 -0.068 0.000 2.514 274 L HA 0.278 4.620 4.340 0.003 0.000 0.280 274 L C 0.902 177.752 176.870 -0.034 0.000 1.223 274 L CA 0.958 55.766 54.840 -0.053 0.000 0.864 274 L CB -0.095 41.915 42.059 -0.082 0.000 1.118 274 L HN 0.963 nan 8.230 nan 0.000 0.494 275 E N 2.295 122.485 120.200 -0.017 0.000 2.676 275 E HA 0.050 4.402 4.350 0.003 0.000 0.225 275 E C -0.238 176.359 176.600 -0.005 0.000 0.944 275 E CA 0.180 56.573 56.400 -0.011 0.000 1.156 275 E CB 0.271 29.968 29.700 -0.005 0.000 1.117 275 E HN 0.794 nan 8.360 nan 0.000 0.523 276 N N 1.081 119.779 118.700 -0.003 0.000 2.806 276 N HA -0.145 4.597 4.740 0.003 0.000 0.248 276 N C -0.940 174.573 175.510 0.006 0.000 1.081 276 N CA 0.755 53.806 53.050 0.001 0.000 0.680 276 N CB -2.022 36.464 38.487 -0.002 0.000 0.941 276 N HN 0.337 nan 8.380 nan 0.000 0.554 277 c N -1.696 116.910 118.600 0.011 0.000 2.871 277 c HA 0.934 5.506 4.570 0.003 0.000 0.351 277 c C 0.485 174.585 174.090 0.017 0.000 1.338 277 c CA -1.061 55.275 56.329 0.012 0.000 1.686 277 c CB 1.378 43.894 42.510 0.010 0.000 2.135 277 c HN 0.599 nan 8.230 nan 0.000 0.476 278 E N -0.502 119.707 120.200 0.014 0.000 2.263 278 E HA 0.762 5.114 4.350 0.003 0.000 0.264 278 E C -0.686 175.920 176.600 0.010 0.000 0.923 278 E CA 0.076 56.487 56.400 0.017 0.000 0.802 278 E CB 1.930 31.638 29.700 0.014 0.000 1.228 278 E HN 1.017 nan 8.360 nan 0.000 0.417 279 T N 1.540 116.100 114.554 0.010 0.000 2.827 279 T HA 0.320 4.672 4.350 0.003 0.000 0.328 279 T C -0.598 174.095 174.700 -0.012 0.000 1.598 279 T CA -0.540 61.553 62.100 -0.011 0.000 1.043 279 T CB 0.856 69.707 68.868 -0.028 0.000 1.447 279 T HN 0.484 nan 8.240 nan 0.000 0.491 280 K N 0.394 120.774 120.400 -0.033 0.000 2.358 280 K HA 0.399 4.721 4.320 0.003 0.000 0.200 280 K C -0.226 176.321 176.600 -0.089 0.000 1.030 280 K CA -0.008 56.260 56.287 -0.031 0.000 1.097 280 K CB 0.611 33.096 32.500 -0.024 0.000 0.862 280 K HN 0.446 nan 8.250 nan 0.000 0.534 281 c N 1.364 119.888 118.600 -0.126 0.000 2.727 281 c HA 0.336 4.908 4.570 0.003 0.000 0.369 281 c C -1.718 172.245 174.090 -0.211 0.000 1.067 281 c CA -0.689 55.520 56.329 -0.199 0.000 1.273 281 c CB 0.645 43.034 42.510 -0.201 0.000 1.778 281 c HN 0.295 nan 8.230 nan 0.000 0.467 282 Q N 3.192 122.823 119.800 -0.280 0.000 2.312 282 Q HA 0.797 5.139 4.340 0.003 0.000 0.263 282 Q C 0.071 175.890 176.000 -0.301 0.000 0.995 282 Q CA 0.132 55.765 55.803 -0.282 0.000 0.853 282 Q CB 1.870 30.374 28.738 -0.390 0.000 1.300 282 Q HN 0.904 nan 8.270 nan 0.000 0.448 283 T N 0.168 114.568 114.554 -0.258 0.000 2.930 283 T HA 0.598 4.950 4.350 0.003 0.000 0.290 283 T C -2.118 172.385 174.700 -0.329 0.000 1.052 283 T CA -2.171 59.749 62.100 -0.299 0.000 1.017 283 T CB 1.435 70.153 68.868 -0.250 0.000 1.137 283 T HN 0.443 nan 8.240 nan 0.000 0.511 284 P HA 0.136 nan 4.420 nan 0.000 0.225 284 P C 1.179 178.298 177.300 -0.302 0.000 1.148 284 P CA 0.637 63.507 63.100 -0.383 0.000 0.779 284 P CB -0.017 31.365 31.700 -0.530 0.000 0.780 285 L N -3.154 117.855 121.223 -0.357 0.000 2.463 285 L HA 0.384 4.726 4.340 0.003 0.000 0.219 285 L C 1.177 177.845 176.870 -0.336 0.000 1.088 285 L CA 0.273 54.899 54.840 -0.356 0.000 0.849 285 L CB -0.277 41.467 42.059 -0.526 0.000 1.012 285 L HN 0.046 nan 8.230 nan 0.000 0.468 286 G N -0.505 108.138 108.800 -0.261 0.000 2.336 286 G HA2 0.426 4.388 3.960 0.003 0.000 0.300 286 G HA3 0.426 4.388 3.960 0.003 0.000 0.300 286 G C -1.806 173.066 174.900 -0.047 0.000 1.375 286 G CA -0.261 44.808 45.100 -0.051 0.000 0.885 286 G HN 0.044 nan 8.290 nan 0.000 0.599 287 A N -0.614 122.211 122.820 0.009 0.000 2.302 287 A HA 0.837 5.159 4.320 0.003 0.000 0.285 287 A C -0.066 177.517 177.584 -0.002 0.000 1.105 287 A CA -0.440 51.580 52.037 -0.029 0.000 0.816 287 A CB 0.519 19.505 19.000 -0.024 0.000 1.067 287 A HN 0.870 nan 8.150 nan 0.000 0.489 288 I N 1.774 122.311 120.570 -0.054 0.000 2.406 288 I HA 0.237 4.409 4.170 0.003 0.000 0.290 288 I C -0.475 175.609 176.117 -0.054 0.000 0.999 288 I CA -0.512 60.757 61.300 -0.051 0.000 1.124 288 I CB 1.816 39.742 38.000 -0.122 0.000 1.289 288 I HN 0.659 nan 8.210 nan 0.000 0.441 289 N N 4.648 123.330 118.700 -0.031 0.000 2.626 289 N HA 0.384 5.126 4.740 0.003 0.000 0.242 289 N C -1.143 174.352 175.510 -0.025 0.000 1.005 289 N CA -0.048 52.985 53.050 -0.029 0.000 0.905 289 N CB 1.190 39.667 38.487 -0.017 0.000 1.128 289 N HN 0.635 nan 8.380 nan 0.000 0.512 290 T N 0.098 114.630 114.554 -0.035 0.000 2.853 290 T HA 0.393 4.745 4.350 0.003 0.000 0.311 290 T C 0.558 175.234 174.700 -0.040 0.000 1.307 290 T CA -0.362 61.721 62.100 -0.029 0.000 1.019 290 T CB 0.826 69.682 68.868 -0.021 0.000 1.264 290 T HN 0.406 nan 8.240 nan 0.000 0.497 291 T N 1.030 115.563 114.554 -0.036 0.000 3.023 291 T HA 0.403 4.755 4.350 0.003 0.000 0.253 291 T C 0.955 175.616 174.700 -0.065 0.000 1.038 291 T CA -0.250 61.822 62.100 -0.048 0.000 0.962 291 T CB -0.207 68.640 68.868 -0.035 0.000 1.018 291 T HN 0.444 nan 8.240 nan 0.000 0.521 292 L N 2.040 123.232 121.223 -0.052 0.000 2.483 292 L HA 0.203 4.545 4.340 0.003 0.000 0.276 292 L C -1.307 175.472 176.870 -0.151 0.000 1.213 292 L CA -1.615 53.188 54.840 -0.062 0.000 0.843 292 L CB 0.591 42.650 42.059 -0.000 0.000 1.107 292 L HN -0.009 nan 8.230 nan 0.000 0.487 293 P HA -0.016 nan 4.420 nan 0.000 0.222 293 P C -0.534 176.232 177.300 -0.890 0.000 1.153 293 P CA 1.161 63.860 63.100 -0.668 0.000 0.798 293 P CB 0.270 31.407 31.700 -0.938 0.000 0.796 294 F N -1.650 118.273 119.950 -0.045 0.000 2.588 294 F HA 0.533 5.062 4.527 0.003 0.000 0.314 294 F C 0.627 176.452 175.800 0.042 0.000 1.069 294 F CA -1.077 56.893 58.000 -0.050 0.000 0.931 294 F CB 1.383 40.335 39.000 -0.081 0.000 1.260 294 F HN -0.139 nan 8.300 nan 0.000 0.465 295 H N -0.986 118.169 119.070 0.140 0.000 2.985 295 H HA 0.558 5.116 4.556 0.003 0.000 0.360 295 H C -1.000 174.368 175.328 0.067 0.000 1.221 295 H CA -1.091 55.018 56.048 0.102 0.000 1.121 295 H CB 1.613 31.436 29.762 0.103 0.000 1.854 295 H HN 0.432 nan 8.280 nan 0.000 0.551 296 N N 1.500 120.219 118.700 0.031 0.000 2.240 296 N HA 0.044 4.786 4.740 0.003 0.000 0.240 296 N C 0.016 175.698 175.510 0.287 0.000 1.277 296 N CA 0.011 53.015 53.050 -0.077 0.000 0.873 296 N CB -0.048 38.354 38.487 -0.141 0.000 1.222 296 N HN 0.379 nan 8.380 nan 0.000 0.507 297 V N 0.053 120.273 119.914 0.510 0.000 2.261 297 V HA -0.094 4.028 4.120 0.003 0.000 0.246 297 V C 0.542 176.862 176.094 0.376 0.000 1.047 297 V CA 1.735 64.279 62.300 0.406 0.000 1.015 297 V CB -0.679 31.352 31.823 0.348 0.000 0.642 297 V HN 0.649 nan 8.190 nan 0.000 0.446 298 H N -1.586 117.666 119.070 0.303 0.000 3.139 298 H HA 0.165 4.723 4.556 0.003 0.000 0.325 298 H C -2.435 172.707 175.328 -0.309 0.000 1.146 298 H CA -0.803 55.246 56.048 0.002 0.000 1.351 298 H CB 2.237 31.960 29.762 -0.064 0.000 2.005 298 H HN -0.101 nan 8.280 nan 0.000 0.517 299 P HA -0.016 nan 4.420 nan 0.000 0.219 299 P C 0.631 177.805 177.300 -0.210 0.000 1.150 299 P CA 0.608 63.172 63.100 -0.895 0.000 0.814 299 P CB 0.879 32.142 31.700 -0.728 0.000 0.787 300 L N 1.679 122.971 121.223 0.115 0.000 2.423 300 L HA 0.176 4.518 4.340 0.003 0.000 0.249 300 L C 0.918 177.725 176.870 -0.105 0.000 1.276 300 L CA -0.418 54.428 54.840 0.009 0.000 1.199 300 L CB -0.634 41.448 42.059 0.039 0.000 1.407 300 L HN 0.030 nan 8.230 nan 0.000 0.410 301 T N -1.402 113.080 114.554 -0.121 0.000 2.927 301 T HA 0.722 5.074 4.350 0.003 0.000 0.281 301 T C -0.127 174.409 174.700 -0.274 0.000 0.998 301 T CA -0.631 61.347 62.100 -0.204 0.000 1.019 301 T CB 2.258 71.015 68.868 -0.184 0.000 1.061 301 T HN 0.170 nan 8.240 nan 0.000 0.518 302 I N 1.031 121.374 120.570 -0.378 0.000 2.499 302 I HA 0.630 4.802 4.170 0.003 0.000 0.288 302 I C 0.694 176.454 176.117 -0.595 0.000 1.048 302 I CA -0.446 60.553 61.300 -0.501 0.000 1.062 302 I CB 1.502 39.183 38.000 -0.532 0.000 1.238 302 I HN 1.214 nan 8.210 nan 0.000 0.426 303 G N 5.392 113.640 108.800 -0.921 0.000 2.295 303 G HA2 -0.066 3.896 3.960 0.003 0.000 0.195 303 G HA3 -0.066 3.896 3.960 0.003 0.000 0.195 303 G C -1.236 173.335 174.900 -0.548 0.000 1.269 303 G CA -0.816 43.807 45.100 -0.794 0.000 1.170 303 G HN 0.581 nan 8.290 nan 0.000 0.511 304 E N 0.098 120.157 120.200 -0.235 0.000 2.063 304 E HA 0.537 4.889 4.350 0.003 0.000 0.265 304 E C -0.517 175.991 176.600 -0.154 0.000 0.919 304 E CA -0.473 55.843 56.400 -0.141 0.000 0.756 304 E CB 1.113 30.791 29.700 -0.037 0.000 1.120 304 E HN 0.623 nan 8.360 nan 0.000 0.414 305 c N 3.346 121.845 118.600 -0.167 0.000 2.595 305 c HA 0.554 5.126 4.570 0.003 0.000 0.338 305 c C -2.079 171.944 174.090 -0.112 0.000 1.219 305 c CA -1.804 54.424 56.329 -0.168 0.000 1.811 305 c CB 1.056 43.441 42.510 -0.208 0.000 2.313 305 c HN 0.583 nan 8.230 nan 0.000 0.499 306 P HA 0.177 nan 4.420 nan 0.000 0.271 306 P C -0.903 176.419 177.300 0.037 0.000 1.233 306 P CA -0.247 62.830 63.100 -0.039 0.000 0.789 306 P CB 0.382 32.122 31.700 0.067 0.000 0.951 307 K N 1.198 121.477 120.400 -0.202 0.000 2.412 307 K HA 0.071 4.393 4.320 0.003 0.000 0.284 307 K C -0.378 176.220 176.600 -0.003 0.000 1.046 307 K CA 0.191 56.336 56.287 -0.236 0.000 0.999 307 K CB -0.950 31.136 32.500 -0.690 0.000 0.941 307 K HN 0.327 nan 8.250 nan 0.000 0.474 308 Y N 2.841 123.052 120.300 -0.148 0.000 2.497 308 Y HA 0.322 4.874 4.550 0.003 0.000 0.334 308 Y C -0.221 175.605 175.900 -0.122 0.000 1.199 308 Y CA 0.189 58.068 58.100 -0.368 0.000 1.425 308 Y CB 0.608 38.923 38.460 -0.241 0.000 1.291 308 Y HN 0.303 nan 8.280 nan 0.000 0.562 309 V N 6.836 126.240 119.914 -0.850 0.000 3.048 309 V HA 0.227 4.349 4.120 0.003 0.000 0.303 309 V C -0.247 175.465 176.094 -0.638 0.000 1.214 309 V CA -1.209 60.794 62.300 -0.496 0.000 0.984 309 V CB 2.377 34.029 31.823 -0.284 0.000 1.054 309 V HN 0.830 nan 8.190 nan 0.000 0.430 310 K N 2.009 122.195 120.400 -0.357 0.000 2.589 310 K HA 0.261 4.582 4.320 0.003 0.000 0.204 310 K C 0.440 176.932 176.600 -0.180 0.000 1.029 310 K CA -0.052 56.083 56.287 -0.253 0.000 1.177 310 K CB 0.195 32.627 32.500 -0.114 0.000 0.902 310 K HN 0.593 nan 8.250 nan 0.000 0.501 311 S N 0.385 115.963 115.700 -0.203 0.000 2.652 311 S HA 0.133 4.605 4.470 0.003 0.000 0.270 311 S C 0.862 175.397 174.600 -0.108 0.000 1.243 311 S CA -0.526 57.588 58.200 -0.143 0.000 0.999 311 S CB 1.477 64.579 63.200 -0.163 0.000 0.973 311 S HN 0.241 nan 8.310 nan 0.000 0.544 312 E N 0.305 120.463 120.200 -0.071 0.000 2.290 312 E HA 0.081 4.433 4.350 0.003 0.000 0.197 312 E C -0.099 176.483 176.600 -0.031 0.000 0.948 312 E CA 0.337 56.711 56.400 -0.042 0.000 0.895 312 E CB 0.386 30.069 29.700 -0.029 0.000 0.865 312 E HN 0.592 nan 8.360 nan 0.000 0.486 313 K N 0.179 120.556 120.400 -0.039 0.000 2.523 313 K HA 0.448 4.770 4.320 0.003 0.000 0.257 313 K C -1.267 175.310 176.600 -0.040 0.000 0.932 313 K CA -0.560 55.712 56.287 -0.025 0.000 0.812 313 K CB 1.413 33.904 32.500 -0.015 0.000 1.326 313 K HN -0.120 nan 8.250 nan 0.000 0.433 314 L N 3.206 124.416 121.223 -0.021 0.000 2.488 314 L HA 0.314 4.656 4.340 0.003 0.000 0.250 314 L C -1.190 175.687 176.870 0.012 0.000 1.280 314 L CA -0.961 53.864 54.840 -0.025 0.000 0.929 314 L CB 1.765 43.802 42.059 -0.037 0.000 1.200 314 L HN 0.464 nan 8.230 nan 0.000 0.495 315 V N 2.513 122.431 119.914 0.006 0.000 2.383 315 V HA 0.288 4.410 4.120 0.003 0.000 0.275 315 V C 0.076 176.183 176.094 0.022 0.000 1.036 315 V CA -0.496 61.817 62.300 0.020 0.000 0.889 315 V CB 2.010 33.843 31.823 0.016 0.000 0.985 315 V HN 0.308 nan 8.190 nan 0.000 0.459 316 L N 4.992 126.237 121.223 0.036 0.000 2.276 316 L HA 0.663 5.005 4.340 0.003 0.000 0.286 316 L C 0.676 177.573 176.870 0.046 0.000 1.061 316 L CA 0.094 54.956 54.840 0.037 0.000 0.807 316 L CB 1.102 43.187 42.059 0.043 0.000 1.177 316 L HN 0.790 nan 8.230 nan 0.000 0.429 317 A N 2.823 125.667 122.820 0.040 0.000 2.440 317 A HA 0.480 4.802 4.320 0.003 0.000 0.251 317 A C 0.912 178.544 177.584 0.081 0.000 1.089 317 A CA 0.460 52.531 52.037 0.056 0.000 0.779 317 A CB 0.028 19.053 19.000 0.042 0.000 1.022 317 A HN 0.923 nan 8.150 nan 0.000 0.492 318 T N 0.328 114.957 114.554 0.125 0.000 3.075 318 T HA 0.360 4.712 4.350 0.003 0.000 0.251 318 T C 1.140 175.967 174.700 0.212 0.000 0.979 318 T CA 0.654 62.856 62.100 0.169 0.000 1.033 318 T CB -0.570 68.413 68.868 0.193 0.000 1.104 318 T HN 0.990 nan 8.240 nan 0.000 0.473 319 G N 2.253 111.166 108.800 0.188 0.000 2.516 319 G HA2 0.616 4.578 3.960 0.003 0.000 0.276 319 G HA3 0.616 4.578 3.960 0.003 0.000 0.276 319 G C -0.128 174.519 174.900 -0.422 0.000 1.390 319 G CA -0.671 44.400 45.100 -0.048 0.000 1.050 319 G HN 0.748 nan 8.290 nan 0.000 0.519 320 L N -2.686 118.131 121.223 -0.676 0.000 2.347 320 L HA 0.720 5.062 4.340 0.003 0.000 0.268 320 L C 0.707 177.439 176.870 -0.230 0.000 1.019 320 L CA -1.317 53.199 54.840 -0.540 0.000 0.806 320 L CB 1.088 42.729 42.059 -0.698 0.000 1.339 320 L HN 0.421 nan 8.230 nan 0.000 0.463 321 R N 1.409 121.803 120.500 -0.177 0.000 2.484 321 R HA 0.027 4.369 4.340 0.003 0.000 0.293 321 R C -0.495 175.752 176.300 -0.088 0.000 1.023 321 R CA -0.138 55.892 56.100 -0.117 0.000 1.037 321 R CB 0.176 30.406 30.300 -0.116 0.000 0.951 321 R HN 0.702 nan 8.270 nan 0.000 0.418 322 N N 3.916 122.572 118.700 -0.073 0.000 2.415 322 N HA 0.114 4.856 4.740 0.003 0.000 0.246 322 N C -1.530 173.958 175.510 -0.037 0.000 1.078 322 N CA -0.208 52.802 53.050 -0.067 0.000 0.942 322 N CB 1.001 39.432 38.487 -0.092 0.000 1.140 322 N HN 0.275 nan 8.380 nan 0.000 0.501 323 V N 5.882 125.798 119.914 0.003 0.000 2.349 323 V HA 0.441 4.563 4.120 0.003 0.000 0.284 323 V C -1.918 174.155 176.094 -0.035 0.000 1.014 323 V CA -1.454 60.851 62.300 0.008 0.000 0.826 323 V CB 1.282 33.154 31.823 0.081 0.000 1.009 323 V HN 0.550 nan 8.190 nan 0.000 0.431 331 L N -0.660 120.516 121.223 -0.080 0.000 2.189 331 L HA 0.105 4.447 4.340 0.003 0.000 0.214 331 L C 2.007 178.586 176.870 -0.485 0.000 1.097 331 L CA 1.900 56.560 54.840 -0.299 0.000 0.764 331 L CB -0.513 41.292 42.059 -0.423 0.000 0.900 331 L HN 0.514 nan 8.230 nan 0.000 0.436 332 F N -1.580 118.345 119.950 -0.043 0.000 2.678 332 F HA 0.363 4.892 4.527 0.003 0.000 0.305 332 F C 1.801 177.595 175.800 -0.009 0.000 1.090 332 F CA 0.336 58.321 58.000 -0.026 0.000 1.272 332 F CB -0.145 38.828 39.000 -0.045 0.000 1.060 332 F HN 0.053 nan 8.300 nan 0.000 0.576 333 G N 0.627 109.469 108.800 0.070 0.000 2.166 333 G HA2 -0.343 3.619 3.960 0.003 0.000 0.260 333 G HA3 -0.343 3.619 3.960 0.003 0.000 0.260 333 G C 1.069 175.961 174.900 -0.013 0.000 0.986 333 G CA 0.586 45.719 45.100 0.055 0.000 0.683 333 G HN 0.568 nan 8.290 nan 0.000 0.527 334 A N -0.228 122.493 122.820 -0.165 0.000 1.972 334 A HA 0.661 4.983 4.320 0.003 0.000 0.219 334 A C 1.257 178.508 177.584 -0.556 0.000 1.467 334 A CA 0.658 52.346 52.037 -0.583 0.000 0.631 334 A CB -0.072 18.675 19.000 -0.422 0.000 1.143 334 A HN 0.740 nan 8.150 nan 0.000 0.502 335 I N 0.608 120.862 120.570 -0.526 0.000 2.741 335 I HA 0.146 4.318 4.170 0.003 0.000 0.288 335 I C 1.254 177.119 176.117 -0.421 0.000 1.192 335 I CA 0.744 61.564 61.300 -0.800 0.000 1.426 335 I CB 0.310 37.780 38.000 -0.884 0.000 1.367 335 I HN 0.661 nan 8.210 nan 0.000 0.563 336 A N 4.477 127.167 122.820 -0.217 0.000 2.704 336 A HA -0.156 4.166 4.320 0.003 0.000 0.299 336 A C 0.832 178.357 177.584 -0.098 0.000 1.507 336 A CA 1.072 53.069 52.037 -0.067 0.000 0.776 336 A CB -1.972 16.983 19.000 -0.076 0.000 1.027 336 A HN 1.101 nan 8.150 nan 0.000 0.475 337 G N -1.103 107.610 108.800 -0.145 0.000 3.259 337 G HA2 0.508 4.470 3.960 0.003 0.000 0.193 337 G HA3 0.508 4.470 3.960 0.003 0.000 0.193 337 G C 0.620 175.468 174.900 -0.085 0.000 1.457 337 G CA 0.244 45.273 45.100 -0.117 0.000 0.771 337 G HN 1.157 nan 8.290 nan 0.000 0.765 338 F N 0.651 120.551 119.950 -0.083 0.000 2.502 338 F HA 0.445 4.974 4.527 0.003 0.000 0.298 338 F C 0.832 176.569 175.800 -0.104 0.000 1.111 338 F CA -0.160 57.778 58.000 -0.103 0.000 1.445 338 F CB -0.233 38.678 39.000 -0.148 0.000 1.081 338 F HN -0.104 nan 8.300 nan 0.000 0.558 339 I N 2.157 122.367 120.570 -0.600 0.000 2.276 339 I HA 0.115 4.287 4.170 0.003 0.000 0.290 339 I C 0.829 176.884 176.117 -0.103 0.000 1.109 339 I CA -0.159 60.959 61.300 -0.303 0.000 1.229 339 I CB 0.655 38.446 38.000 -0.349 0.000 1.452 339 I HN 0.199 nan 8.210 nan 0.000 0.497 340 E N 3.908 124.071 120.200 -0.061 0.000 2.130 340 E HA -0.104 4.248 4.350 0.003 0.000 0.196 340 E C 1.087 177.680 176.600 -0.011 0.000 0.998 340 E CA 0.800 57.184 56.400 -0.026 0.000 0.806 340 E CB 0.182 29.873 29.700 -0.015 0.000 0.738 340 E HN 0.807 nan 8.360 nan 0.000 0.459 341 G N -0.817 107.919 108.800 -0.107 0.000 2.682 341 G HA2 0.520 4.482 3.960 0.003 0.000 0.290 341 G HA3 0.520 4.482 3.960 0.003 0.000 0.290 341 G C -0.795 173.668 174.900 -0.728 0.000 1.425 341 G CA -0.356 44.625 45.100 -0.198 0.000 0.807 341 G HN 0.166 nan 8.290 nan 0.000 0.482 342 G N -1.551 106.838 108.800 -0.684 0.000 2.488 342 G HA2 0.524 4.486 3.960 0.003 0.000 0.318 342 G HA3 0.524 4.486 3.960 0.003 0.000 0.318 342 G C -1.098 173.559 174.900 -0.405 0.000 1.188 342 G CA -0.603 43.930 45.100 -0.946 0.000 0.944 342 G HN 0.400 nan 8.290 nan 0.000 0.495 343 W N 0.731 121.852 121.300 -0.297 0.000 2.294 343 W HA 0.378 5.040 4.660 0.003 0.000 0.314 343 W C 0.972 177.329 176.519 -0.270 0.000 1.044 343 W CA -0.936 56.270 57.345 -0.233 0.000 1.284 343 W CB 0.865 30.225 29.460 -0.167 0.000 1.231 343 W HN 0.671 nan 8.180 nan 0.000 0.419 344 Q N 1.695 121.464 119.800 -0.051 0.000 2.224 344 Q HA -0.070 4.272 4.340 0.003 0.000 0.203 344 Q C 2.073 177.998 176.000 -0.125 0.000 0.970 344 Q CA 1.339 57.080 55.803 -0.104 0.000 0.865 344 Q CB 0.038 28.724 28.738 -0.086 0.000 0.922 344 Q HN 0.740 nan 8.270 nan 0.000 0.445 345 G N 0.715 109.321 108.800 -0.325 0.000 2.559 345 G HA2 -0.102 3.859 3.960 0.003 0.000 0.216 345 G HA3 -0.102 3.859 3.960 0.003 0.000 0.216 345 G C 0.561 175.183 174.900 -0.464 0.000 1.126 345 G CA -0.113 44.665 45.100 -0.536 0.000 0.778 345 G HN 0.192 nan 8.290 nan 0.000 0.543 346 M N 0.740 120.197 119.600 -0.238 0.000 2.157 346 M HA 0.530 5.012 4.480 0.003 0.000 0.354 346 M C 0.071 176.462 176.300 0.152 0.000 1.170 346 M CA -0.309 55.026 55.300 0.058 0.000 1.060 346 M CB 1.012 33.791 32.600 0.299 0.000 1.615 346 M HN 0.051 nan 8.290 nan 0.000 0.460 347 I N 1.558 122.169 120.570 0.069 0.000 4.541 347 I HA 0.180 4.352 4.170 0.003 0.000 0.337 347 I C 0.187 176.258 176.117 -0.076 0.000 1.338 347 I CA -0.279 61.023 61.300 0.003 0.000 1.244 347 I CB 0.311 38.324 38.000 0.022 0.000 1.417 347 I HN 0.507 nan 8.210 nan 0.000 0.501 348 D N 1.992 122.366 120.400 -0.044 0.000 2.333 348 D HA 0.283 4.925 4.640 0.003 0.000 0.208 348 D C 1.132 177.336 176.300 -0.160 0.000 0.984 348 D CA 0.829 54.784 54.000 -0.076 0.000 0.873 348 D CB 0.793 41.590 40.800 -0.005 0.000 0.935 348 D HN 0.440 nan 8.370 nan 0.000 0.521 349 G N -1.118 107.570 108.800 -0.186 0.000 2.427 349 G HA2 0.145 4.107 3.960 0.003 0.000 0.306 349 G HA3 0.145 4.107 3.960 0.003 0.000 0.306 349 G C -0.852 173.904 174.900 -0.241 0.000 1.280 349 G CA -0.668 44.255 45.100 -0.294 0.000 0.837 349 G HN -0.110 nan 8.290 nan 0.000 0.482 350 W N -0.243 120.833 121.300 -0.374 0.000 2.481 350 W HA 0.312 4.974 4.660 0.003 0.000 0.293 350 W C 0.308 176.538 176.519 -0.481 0.000 1.201 350 W CA 0.557 57.574 57.345 -0.547 0.000 1.328 350 W CB -0.375 28.499 29.460 -0.976 0.000 1.112 350 W HN 0.364 nan 8.180 nan 0.000 0.546 351 Y N -0.779 119.679 120.300 0.263 0.000 2.536 351 Y HA 0.744 5.296 4.550 0.003 0.000 0.347 351 Y C 0.736 176.671 175.900 0.059 0.000 1.000 351 Y CA -0.683 57.492 58.100 0.124 0.000 1.051 351 Y CB 1.527 40.027 38.460 0.067 0.000 1.259 351 Y HN -0.116 nan 8.280 nan 0.000 0.468 352 G N 0.131 109.020 108.800 0.147 0.000 2.364 352 G HA2 0.441 4.403 3.960 0.003 0.000 0.286 352 G HA3 0.441 4.403 3.960 0.003 0.000 0.286 352 G C -2.394 172.530 174.900 0.041 0.000 1.241 352 G CA -0.936 44.160 45.100 -0.006 0.000 0.887 352 G HN 0.440 nan 8.290 nan 0.000 0.484 353 Y N -1.451 119.171 120.300 0.538 0.000 2.562 353 Y HA 0.706 5.258 4.550 0.003 0.000 0.343 353 Y C 0.954 177.032 175.900 0.296 0.000 1.025 353 Y CA -0.507 57.889 58.100 0.494 0.000 1.082 353 Y CB 2.355 41.009 38.460 0.323 0.000 1.264 353 Y HN 0.824 nan 8.280 nan 0.000 0.478 354 H N -0.042 119.118 119.070 0.149 0.000 2.320 354 H HA 0.130 4.688 4.556 0.003 0.000 0.318 354 H C -0.510 174.699 175.328 -0.198 0.000 1.098 354 H CA 1.414 57.225 56.048 -0.395 0.000 1.569 354 H CB 0.337 29.650 29.762 -0.748 0.000 1.506 354 H HN 0.722 nan 8.280 nan 0.000 0.632 355 H N -0.338 118.794 119.070 0.103 0.000 4.237 355 H HA -0.153 4.405 4.556 0.003 0.000 0.290 355 H C -1.605 173.740 175.328 0.029 0.000 0.689 355 H CA 0.482 56.578 56.048 0.081 0.000 0.817 355 H CB -1.514 28.262 29.762 0.023 0.000 1.217 355 H HN 0.372 nan 8.280 nan 0.000 0.320 356 S N 3.855 119.622 115.700 0.112 0.000 2.498 356 S HA 0.454 4.926 4.470 0.003 0.000 0.317 356 S C -0.485 174.180 174.600 0.109 0.000 1.090 356 S CA -0.653 57.561 58.200 0.023 0.000 1.089 356 S CB 1.175 64.407 63.200 0.053 0.000 0.997 356 S HN 0.666 nan 8.310 nan 0.000 0.470 357 N N 1.590 120.335 118.700 0.074 0.000 2.321 357 N HA 0.326 5.068 4.740 0.003 0.000 0.290 357 N C -0.513 175.015 175.510 0.031 0.000 1.212 357 N CA -0.745 52.355 53.050 0.082 0.000 0.767 357 N CB 1.726 40.296 38.487 0.139 0.000 1.494 357 N HN 0.646 nan 8.380 nan 0.000 0.479 358 D N -0.028 120.383 120.400 0.019 0.000 2.324 358 D HA -0.012 4.630 4.640 0.003 0.000 0.235 358 D C 0.324 176.628 176.300 0.006 0.000 1.095 358 D CA 0.826 54.832 54.000 0.009 0.000 0.871 358 D CB 0.029 40.833 40.800 0.007 0.000 0.906 358 D HN 0.527 nan 8.370 nan 0.000 0.522 359 Q N -0.364 119.443 119.800 0.013 0.000 2.246 359 Q HA 0.415 4.757 4.340 0.003 0.000 0.222 359 Q C 0.513 176.521 176.000 0.014 0.000 0.851 359 Q CA 0.184 55.993 55.803 0.011 0.000 0.945 359 Q CB 1.530 30.273 28.738 0.008 0.000 1.122 359 Q HN 0.336 nan 8.270 nan 0.000 0.508 360 G N 0.059 108.866 108.800 0.011 0.000 2.339 360 G HA2 0.014 3.975 3.960 0.003 0.000 0.381 360 G HA3 0.014 3.975 3.960 0.003 0.000 0.381 360 G C -0.957 173.892 174.900 -0.084 0.000 1.400 360 G CA -0.793 44.294 45.100 -0.022 0.000 1.002 360 G HN -0.010 nan 8.290 nan 0.000 0.633 361 S N -1.473 114.113 115.700 -0.190 0.000 2.718 361 S HA 1.017 5.489 4.470 0.003 0.000 0.292 361 S C 0.602 174.869 174.600 -0.555 0.000 1.125 361 S CA 0.416 58.342 58.200 -0.457 0.000 1.013 361 S CB 1.447 64.439 63.200 -0.347 0.000 1.192 361 S HN 2.334 nan 8.310 nan 0.000 0.535 362 G N -0.560 107.697 108.800 -0.905 0.000 2.321 362 G HA2 0.407 4.369 3.960 0.003 0.000 0.298 362 G HA3 0.407 4.369 3.960 0.003 0.000 0.298 362 G C -2.566 171.815 174.900 -0.865 0.000 1.385 362 G CA -0.825 43.907 45.100 -0.613 0.000 0.856 362 G HN 0.451 nan 8.290 nan 0.000 0.584 363 Y N -0.088 120.065 120.300 -0.246 0.000 2.350 363 Y HA 0.699 5.251 4.550 0.003 0.000 0.338 363 Y C 0.454 176.386 175.900 0.052 0.000 0.961 363 Y CA -0.162 57.864 58.100 -0.124 0.000 1.100 363 Y CB 2.605 41.025 38.460 -0.066 0.000 1.179 363 Y HN 0.958 nan 8.280 nan 0.000 0.454 364 A N 2.404 125.406 122.820 0.304 0.000 2.357 364 A HA 0.819 5.141 4.320 0.003 0.000 0.295 364 A C -0.556 177.243 177.584 0.358 0.000 1.121 364 A CA -0.624 51.589 52.037 0.293 0.000 0.742 364 A CB 0.318 19.477 19.000 0.265 0.000 1.181 364 A HN 0.844 nan 8.150 nan 0.000 0.454 365 A N 1.871 124.844 122.820 0.254 0.000 2.425 365 A HA 0.439 4.761 4.320 0.003 0.000 0.242 365 A C 0.200 177.914 177.584 0.217 0.000 1.077 365 A CA -0.106 52.055 52.037 0.207 0.000 0.781 365 A CB 0.185 19.246 19.000 0.103 0.000 1.020 365 A HN 0.777 nan 8.150 nan 0.000 0.494 366 D N 1.692 122.196 120.400 0.173 0.000 2.422 366 D HA 0.113 4.755 4.640 0.003 0.000 0.227 366 D C 0.715 177.110 176.300 0.159 0.000 1.190 366 D CA -0.171 53.958 54.000 0.215 0.000 0.905 366 D CB 0.439 41.319 40.800 0.133 0.000 1.034 366 D HN 0.526 nan 8.370 nan 0.000 0.507 367 K N 2.412 122.890 120.400 0.129 0.000 2.147 367 K HA -0.185 4.137 4.320 0.003 0.000 0.205 367 K C 1.580 178.225 176.600 0.076 0.000 1.049 367 K CA 0.912 57.238 56.287 0.064 0.000 0.936 367 K CB 0.273 32.795 32.500 0.038 0.000 0.722 367 K HN 0.516 nan 8.250 nan 0.000 0.446 368 E N 0.591 120.859 120.200 0.113 0.000 2.112 368 E HA -0.120 4.232 4.350 0.003 0.000 0.190 368 E C 1.872 178.560 176.600 0.146 0.000 0.979 368 E CA 1.362 57.830 56.400 0.113 0.000 0.814 368 E CB 0.193 29.959 29.700 0.110 0.000 0.762 368 E HN 0.246 nan 8.360 nan 0.000 0.460 369 S N -1.095 114.718 115.700 0.189 0.000 2.446 369 S HA -0.028 4.444 4.470 0.003 0.000 0.225 369 S C 2.036 176.874 174.600 0.397 0.000 1.016 369 S CA 0.953 59.302 58.200 0.250 0.000 0.943 369 S CB -0.178 63.151 63.200 0.216 0.000 0.786 369 S HN 0.123 nan 8.310 nan 0.000 0.508 370 T N 2.212 116.953 114.554 0.312 0.000 2.674 370 T HA -0.109 4.243 4.350 0.003 0.000 0.265 370 T C 1.931 176.719 174.700 0.147 0.000 1.039 370 T CA 1.865 64.067 62.100 0.169 0.000 1.150 370 T CB -0.509 68.320 68.868 -0.065 0.000 0.864 370 T HN 0.465 nan 8.240 nan 0.000 0.427 371 Q N 1.276 121.128 119.800 0.087 0.000 2.135 371 Q HA -0.054 4.288 4.340 0.003 0.000 0.204 371 Q C 2.122 178.251 176.000 0.215 0.000 0.981 371 Q CA 1.717 57.570 55.803 0.084 0.000 0.856 371 Q CB -0.212 28.549 28.738 0.038 0.000 0.902 371 Q HN 0.431 nan 8.270 nan 0.000 0.425 372 K N -1.023 119.517 120.400 0.234 0.000 2.025 372 K HA -0.062 4.259 4.320 0.003 0.000 0.207 372 K C 1.935 178.758 176.600 0.372 0.000 1.049 372 K CA 1.051 57.492 56.287 0.256 0.000 0.933 372 K CB -0.295 32.333 32.500 0.214 0.000 0.714 372 K HN 0.249 nan 8.250 nan 0.000 0.438 373 A N 0.879 123.991 122.820 0.485 0.000 1.908 373 A HA -0.212 4.110 4.320 0.003 0.000 0.218 373 A C 2.015 180.066 177.584 0.779 0.000 1.181 373 A CA 1.581 54.035 52.037 0.694 0.000 0.627 373 A CB -0.905 18.594 19.000 0.831 0.000 0.818 373 A HN 0.526 nan 8.150 nan 0.000 0.445 374 F N 1.044 121.290 119.950 0.493 0.000 2.171 374 F HA -0.190 4.339 4.527 0.003 0.000 0.300 374 F C 1.714 177.629 175.800 0.192 0.000 1.090 374 F CA 2.064 60.217 58.000 0.255 0.000 1.293 374 F CB -0.095 38.796 39.000 -0.183 0.000 1.013 374 F HN 0.232 nan 8.300 nan 0.000 0.486 375 D N 0.071 120.650 120.400 0.298 0.000 2.144 375 D HA -0.091 4.551 4.640 0.003 0.000 0.200 375 D C 2.473 178.802 176.300 0.048 0.000 0.978 375 D CA 1.388 55.476 54.000 0.146 0.000 0.833 375 D CB -1.023 39.882 40.800 0.174 0.000 0.961 375 D HN 0.433 nan 8.370 nan 0.000 0.470 376 G N 1.258 110.123 108.800 0.109 0.000 2.433 376 G HA2 -0.198 3.764 3.960 0.003 0.000 0.216 376 G HA3 -0.198 3.764 3.960 0.003 0.000 0.216 376 G C 1.569 176.410 174.900 -0.099 0.000 1.186 376 G CA 0.305 45.397 45.100 -0.014 0.000 0.779 376 G HN 0.154 nan 8.290 nan 0.000 0.543 377 I N 1.421 121.979 120.570 -0.020 0.000 2.226 377 I HA -0.126 4.046 4.170 0.003 0.000 0.245 377 I C 2.909 178.952 176.117 -0.123 0.000 1.100 377 I CA 1.435 62.703 61.300 -0.052 0.000 1.374 377 I CB -1.594 36.470 38.000 0.106 0.000 1.057 377 I HN 0.101 nan 8.210 nan 0.000 0.413 378 T N 1.428 115.841 114.554 -0.234 0.000 2.720 378 T HA -0.164 4.188 4.350 0.003 0.000 0.268 378 T C 1.771 176.398 174.700 -0.122 0.000 1.037 378 T CA 1.443 63.397 62.100 -0.243 0.000 1.144 378 T CB -0.202 68.469 68.868 -0.330 0.000 0.864 378 T HN 0.290 nan 8.240 nan 0.000 0.444 379 N N 0.741 119.383 118.700 -0.097 0.000 2.188 379 N HA -0.047 4.695 4.740 0.003 0.000 0.184 379 N C 1.860 177.326 175.510 -0.073 0.000 1.018 379 N CA 0.887 53.896 53.050 -0.069 0.000 0.858 379 N CB -0.204 38.248 38.487 -0.057 0.000 0.989 379 N HN 0.479 nan 8.380 nan 0.000 0.426 380 K N 1.088 121.431 120.400 -0.096 0.000 2.002 380 K HA -0.068 4.254 4.320 0.003 0.000 0.209 380 K C 1.818 178.386 176.600 -0.053 0.000 1.048 380 K CA 1.132 57.366 56.287 -0.087 0.000 0.930 380 K CB -0.050 32.379 32.500 -0.118 0.000 0.714 380 K HN -0.134 nan 8.250 nan 0.000 0.438 381 V N 2.267 122.150 119.914 -0.051 0.000 2.343 381 V HA -0.244 3.878 4.120 0.003 0.000 0.247 381 V C 1.981 178.058 176.094 -0.029 0.000 1.051 381 V CA 1.956 64.239 62.300 -0.029 0.000 1.036 381 V CB -0.739 31.068 31.823 -0.028 0.000 0.654 381 V HN 0.414 nan 8.190 nan 0.000 0.451 382 N N 0.147 118.823 118.700 -0.039 0.000 2.223 382 N HA -0.116 4.626 4.740 0.003 0.000 0.185 382 N C 2.113 177.606 175.510 -0.028 0.000 1.016 382 N CA 1.616 54.647 53.050 -0.033 0.000 0.863 382 N CB -0.367 38.101 38.487 -0.032 0.000 0.983 382 N HN 0.399 nan 8.380 nan 0.000 0.429 383 S N 0.173 115.857 115.700 -0.027 0.000 2.356 383 S HA -0.046 4.426 4.470 0.003 0.000 0.223 383 S C 2.183 176.779 174.600 -0.007 0.000 1.032 383 S CA 0.770 58.960 58.200 -0.017 0.000 1.005 383 S CB -0.244 62.944 63.200 -0.020 0.000 0.867 383 S HN 0.086 nan 8.310 nan 0.000 0.449 384 V N 1.779 121.693 119.914 -0.001 0.000 2.490 384 V HA -0.136 3.986 4.120 0.003 0.000 0.250 384 V C 1.929 178.013 176.094 -0.016 0.000 1.061 384 V CA 1.448 63.761 62.300 0.022 0.000 1.064 384 V CB -0.607 31.243 31.823 0.046 0.000 0.670 384 V HN 0.444 nan 8.190 nan 0.000 0.461 385 I N 0.300 120.848 120.570 -0.037 0.000 2.339 385 I HA -0.110 4.061 4.170 0.003 0.000 0.245 385 I C 2.516 178.582 176.117 -0.086 0.000 1.096 385 I CA 1.393 62.646 61.300 -0.078 0.000 1.408 385 I CB -0.267 37.698 38.000 -0.058 0.000 1.092 385 I HN 0.449 nan 8.210 nan 0.000 0.423 386 E N 0.846 121.014 120.200 -0.054 0.000 2.474 386 E HA -0.061 4.291 4.350 0.003 0.000 0.194 386 E C 1.407 177.985 176.600 -0.038 0.000 1.041 386 E CA 0.167 56.538 56.400 -0.048 0.000 0.874 386 E CB 0.093 29.773 29.700 -0.033 0.000 0.914 386 E HN 0.251 nan 8.360 nan 0.000 0.498 387 K N 0.572 120.955 120.400 -0.028 0.000 2.486 387 K HA 0.064 4.386 4.320 0.003 0.000 0.194 387 K C 0.662 177.255 176.600 -0.012 0.000 1.033 387 K CA 0.070 56.353 56.287 -0.007 0.000 1.004 387 K CB -0.161 32.349 32.500 0.017 0.000 0.798 387 K HN 0.230 nan 8.250 nan 0.000 0.495 388 M N 2.352 121.914 119.600 -0.064 0.000 2.220 388 M HA 0.039 4.521 4.480 0.003 0.000 0.343 388 M C -0.442 175.799 176.300 -0.099 0.000 1.470 388 M CA -0.303 54.927 55.300 -0.116 0.000 1.161 388 M CB -0.021 32.421 32.600 -0.262 0.000 1.737 388 M HN -0.165 nan 8.290 nan 0.000 0.464 389 N N 2.697 121.363 118.700 -0.056 0.000 2.470 389 N HA 0.272 5.014 4.740 0.003 0.000 0.268 389 N C -1.278 174.185 175.510 -0.080 0.000 1.136 389 N CA 0.140 53.165 53.050 -0.042 0.000 0.961 389 N CB 0.739 39.229 38.487 0.005 0.000 1.067 389 N HN 0.673 nan 8.380 nan 0.000 0.468 390 T N 2.712 117.223 114.554 -0.072 0.000 2.906 390 T HA 0.339 4.691 4.350 0.003 0.000 0.302 390 T C -0.948 173.727 174.700 -0.041 0.000 1.002 390 T CA -0.753 61.296 62.100 -0.085 0.000 0.988 390 T CB 0.159 68.963 68.868 -0.107 0.000 0.972 390 T HN 0.602 nan 8.240 nan 0.000 0.447 391 Q N 3.581 123.365 119.800 -0.027 0.000 2.378 391 Q HA 0.564 4.906 4.340 0.003 0.000 0.276 391 Q C -0.745 175.283 176.000 0.047 0.000 1.083 391 Q CA -1.183 54.637 55.803 0.028 0.000 0.856 391 Q CB 1.599 30.363 28.738 0.043 0.000 1.383 391 Q HN 0.638 nan 8.270 nan 0.000 0.458 392 F N 0.784 120.711 119.950 -0.038 0.000 2.541 392 F HA 0.364 4.893 4.527 0.003 0.000 0.378 392 F C 0.013 175.794 175.800 -0.032 0.000 1.068 392 F CA 0.828 58.804 58.000 -0.040 0.000 1.199 392 F CB 0.085 39.065 39.000 -0.033 0.000 1.091 392 F HN 0.794 nan 8.300 nan 0.000 0.555 393 E N 3.388 123.385 120.200 -0.337 0.000 2.416 393 E HA 0.727 5.079 4.350 0.003 0.000 0.273 393 E C -0.611 175.799 176.600 -0.318 0.000 0.935 393 E CA -0.263 56.043 56.400 -0.157 0.000 0.784 393 E CB 1.327 30.982 29.700 -0.075 0.000 1.301 393 E HN 0.789 nan 8.360 nan 0.000 0.454 394 A N -0.677 122.079 122.820 -0.107 0.000 2.013 394 A HA 0.485 4.807 4.320 0.003 0.000 0.204 394 A C 1.790 179.325 177.584 -0.081 0.000 1.262 394 A CA 1.874 53.848 52.037 -0.104 0.000 0.800 394 A CB -0.235 18.776 19.000 0.019 0.000 0.909 394 A HN 1.636 nan 8.150 nan 0.000 0.472 395 V N -1.192 118.706 119.914 -0.026 0.000 0.558 395 V HA -0.303 3.819 4.120 0.003 0.000 0.092 395 V C 1.456 177.558 176.094 0.014 0.000 2.022 395 V CA 1.653 63.950 62.300 -0.004 0.000 3.478 395 V CB -2.145 29.655 31.823 -0.038 0.000 0.770 395 V HN 1.144 nan 8.190 nan 0.000 0.801 396 G N 2.866 111.656 108.800 -0.017 0.000 2.372 396 G HA2 0.466 4.427 3.960 0.003 0.000 0.286 396 G HA3 0.466 4.427 3.960 0.003 0.000 0.286 396 G C -0.372 174.515 174.900 -0.021 0.000 1.153 396 G CA 0.043 45.138 45.100 -0.010 0.000 0.985 396 G HN 0.641 nan 8.290 nan 0.000 0.429 397 K N 2.110 122.497 120.400 -0.020 0.000 2.221 397 K HA 0.411 4.733 4.320 0.003 0.000 0.243 397 K C -0.548 175.872 176.600 -0.300 0.000 0.968 397 K CA -0.876 55.313 56.287 -0.163 0.000 0.846 397 K CB 2.203 34.584 32.500 -0.199 0.000 1.141 397 K HN 0.366 nan 8.250 nan 0.000 0.434 398 E N 1.691 121.590 120.200 -0.501 0.000 2.175 398 E HA 0.376 4.727 4.350 0.003 0.000 0.278 398 E C -0.995 175.175 176.600 -0.717 0.000 0.969 398 E CA -0.348 55.799 56.400 -0.421 0.000 0.796 398 E CB 0.968 30.499 29.700 -0.282 0.000 1.104 398 E HN 0.298 nan 8.360 nan 0.000 0.395 399 F N 0.206 120.161 119.950 0.008 0.000 2.588 399 F HA 0.204 4.733 4.527 0.003 0.000 0.310 399 F C 0.879 176.700 175.800 0.034 0.000 1.082 399 F CA -0.859 57.153 58.000 0.020 0.000 0.929 399 F CB 1.641 40.653 39.000 0.019 0.000 1.254 399 F HN 0.282 nan 8.300 nan 0.000 0.455 400 S N 0.847 116.693 115.700 0.243 0.000 2.661 400 S HA 0.243 4.715 4.470 0.003 0.000 0.265 400 S C 0.772 175.457 174.600 0.141 0.000 1.225 400 S CA -0.546 57.755 58.200 0.167 0.000 0.986 400 S CB 0.636 63.929 63.200 0.154 0.000 1.008 400 S HN 0.604 nan 8.310 nan 0.000 0.565 401 N N 0.135 118.900 118.700 0.108 0.000 2.381 401 N HA 0.073 4.815 4.740 0.003 0.000 0.182 401 N C 0.888 176.436 175.510 0.065 0.000 1.025 401 N CA 0.778 53.876 53.050 0.080 0.000 0.888 401 N CB -0.610 37.918 38.487 0.068 0.000 0.965 401 N HN 0.561 nan 8.380 nan 0.000 0.438 402 L N 0.470 121.736 121.223 0.073 0.000 2.791 402 L HA 0.204 4.546 4.340 0.003 0.000 0.239 402 L C 0.207 177.110 176.870 0.055 0.000 1.203 402 L CA 0.194 55.067 54.840 0.056 0.000 1.002 402 L CB 0.214 42.307 42.059 0.056 0.000 1.295 402 L HN -0.044 nan 8.230 nan 0.000 0.504 403 E N -0.361 119.878 120.200 0.066 0.000 2.869 403 E HA 0.140 4.492 4.350 0.003 0.000 0.207 403 E C 1.112 177.685 176.600 -0.044 0.000 0.986 403 E CA -0.219 56.209 56.400 0.048 0.000 1.131 403 E CB 0.614 30.412 29.700 0.163 0.000 1.098 403 E HN 0.292 nan 8.360 nan 0.000 0.459 404 R N 0.422 120.902 120.500 -0.033 0.000 2.120 404 R HA -0.044 4.297 4.340 0.003 0.000 0.234 404 R C 1.978 178.208 176.300 -0.118 0.000 1.123 404 R CA 0.996 57.056 56.100 -0.066 0.000 0.975 404 R CB 0.036 30.320 30.300 -0.027 0.000 0.866 404 R HN 0.095 nan 8.270 nan 0.000 0.446 405 R N 0.285 120.726 120.500 -0.098 0.000 2.066 405 R HA -0.107 4.235 4.340 0.003 0.000 0.232 405 R C 2.268 178.464 176.300 -0.174 0.000 1.131 405 R CA 1.031 57.068 56.100 -0.105 0.000 0.955 405 R CB -0.428 29.834 30.300 -0.064 0.000 0.851 405 R HN 0.075 nan 8.270 nan 0.000 0.432 406 L N 1.620 122.715 121.223 -0.214 0.000 2.046 406 L HA -0.184 4.158 4.340 0.003 0.000 0.208 406 L C 2.229 178.656 176.870 -0.739 0.000 1.077 406 L CA 1.861 56.504 54.840 -0.329 0.000 0.747 406 L CB -0.482 41.452 42.059 -0.208 0.000 0.896 406 L HN 0.203 nan 8.230 nan 0.000 0.432 407 E N -0.993 118.631 120.200 -0.960 0.000 2.110 407 E HA -0.274 4.078 4.350 0.003 0.000 0.193 407 E C 2.034 178.368 176.600 -0.444 0.000 0.988 407 E CA 1.349 57.090 56.400 -1.100 0.000 0.804 407 E CB -0.341 29.033 29.700 -0.543 0.000 0.745 407 E HN 0.671 nan 8.360 nan 0.000 0.458 408 N N 0.470 119.003 118.700 -0.278 0.000 2.270 408 N HA -0.131 4.611 4.740 0.003 0.000 0.181 408 N C 2.208 177.646 175.510 -0.120 0.000 1.016 408 N CA 0.471 53.433 53.050 -0.146 0.000 0.870 408 N CB -0.035 38.390 38.487 -0.104 0.000 0.979 408 N HN 0.297 nan 8.380 nan 0.000 0.431 409 L N 1.248 122.384 121.223 -0.146 0.000 2.046 409 L HA -0.206 4.136 4.340 0.003 0.000 0.208 409 L C 2.207 179.043 176.870 -0.057 0.000 1.077 409 L CA 1.496 56.281 54.840 -0.091 0.000 0.747 409 L CB -0.516 41.492 42.059 -0.085 0.000 0.896 409 L HN 0.236 nan 8.230 nan 0.000 0.432 410 N N 0.051 118.700 118.700 -0.084 0.000 2.104 410 N HA -0.293 4.449 4.740 0.003 0.000 0.190 410 N C 1.896 177.434 175.510 0.046 0.000 1.024 410 N CA 1.763 54.830 53.050 0.028 0.000 0.853 410 N CB -0.104 38.448 38.487 0.108 0.000 1.008 410 N HN 0.227 nan 8.380 nan 0.000 0.424 411 K N 0.420 120.821 120.400 0.002 0.000 2.001 411 K HA -0.188 4.134 4.320 0.003 0.000 0.208 411 K C 1.899 178.508 176.600 0.015 0.000 1.048 411 K CA 1.274 57.574 56.287 0.021 0.000 0.932 411 K CB -0.196 32.305 32.500 0.000 0.000 0.715 411 K HN -0.026 nan 8.250 nan 0.000 0.437 412 K N 1.284 121.675 120.400 -0.015 0.000 2.160 412 K HA -0.157 4.165 4.320 0.003 0.000 0.206 412 K C 1.988 178.567 176.600 -0.035 0.000 1.047 412 K CA 1.702 57.971 56.287 -0.030 0.000 0.930 412 K CB -0.252 32.220 32.500 -0.046 0.000 0.720 412 K HN 0.282 nan 8.250 nan 0.000 0.450 413 M N -0.363 119.234 119.600 -0.006 0.000 2.123 413 M HA -0.121 4.361 4.480 0.003 0.000 0.263 413 M C 1.686 178.047 176.300 0.102 0.000 1.069 413 M CA 1.792 57.094 55.300 0.004 0.000 1.133 413 M CB -0.072 32.583 32.600 0.092 0.000 1.356 413 M HN 0.102 nan 8.290 nan 0.000 0.415 414 E N 0.865 121.159 120.200 0.157 0.000 2.072 414 E HA -0.193 4.159 4.350 0.003 0.000 0.191 414 E C 1.439 178.153 176.600 0.191 0.000 0.985 414 E CA 1.660 58.194 56.400 0.223 0.000 0.801 414 E CB -0.098 29.699 29.700 0.161 0.000 0.750 414 E HN 0.488 nan 8.360 nan 0.000 0.452 415 D N -0.943 119.518 120.400 0.101 0.000 2.178 415 D HA -0.071 4.571 4.640 0.003 0.000 0.202 415 D C 1.800 178.123 176.300 0.037 0.000 0.974 415 D CA 1.243 55.288 54.000 0.075 0.000 0.841 415 D CB -0.615 40.204 40.800 0.031 0.000 0.953 415 D HN 0.327 nan 8.370 nan 0.000 0.478 416 G N -0.098 108.674 108.800 -0.047 0.000 2.446 416 G HA2 -0.255 3.707 3.960 0.003 0.000 0.217 416 G HA3 -0.255 3.707 3.960 0.003 0.000 0.217 416 G C 1.516 176.316 174.900 -0.167 0.000 1.168 416 G CA 0.283 45.273 45.100 -0.183 0.000 0.771 416 G HN 0.256 nan 8.290 nan 0.000 0.551 417 F N -0.035 119.967 119.950 0.085 0.000 2.186 417 F HA 0.059 4.587 4.527 0.003 0.000 0.299 417 F C 2.445 178.388 175.800 0.238 0.000 1.090 417 F CA 0.490 58.578 58.000 0.146 0.000 1.307 417 F CB -0.255 38.900 39.000 0.257 0.000 1.019 417 F HN 0.117 nan 8.300 nan 0.000 0.489 418 L N 0.478 121.933 121.223 0.386 0.000 2.043 418 L HA -0.263 4.079 4.340 0.003 0.000 0.212 418 L C 1.747 178.737 176.870 0.200 0.000 1.075 418 L CA 1.989 57.012 54.840 0.305 0.000 0.752 418 L CB -0.767 41.435 42.059 0.239 0.000 0.891 418 L HN -0.016 nan 8.230 nan 0.000 0.432 419 D N -1.141 119.328 120.400 0.116 0.000 2.123 419 D HA -0.115 4.527 4.640 0.003 0.000 0.200 419 D C 2.363 178.697 176.300 0.057 0.000 0.976 419 D CA 1.444 55.476 54.000 0.054 0.000 0.831 419 D CB -0.304 40.486 40.800 -0.017 0.000 0.974 419 D HN 0.265 nan 8.370 nan 0.000 0.469 420 V N 0.104 120.028 119.914 0.017 0.000 2.255 420 V HA -0.237 3.885 4.120 0.003 0.000 0.247 420 V C 2.143 178.210 176.094 -0.045 0.000 1.051 420 V CA 1.577 63.834 62.300 -0.072 0.000 1.018 420 V CB -0.639 31.066 31.823 -0.197 0.000 0.641 420 V HN 0.289 nan 8.190 nan 0.000 0.445 421 W N 0.034 121.421 121.300 0.146 0.000 2.358 421 W HA -0.163 4.499 4.660 0.003 0.000 0.303 421 W C 2.683 179.183 176.519 -0.032 0.000 1.208 421 W CA 1.534 58.947 57.345 0.113 0.000 1.274 421 W CB -0.785 28.779 29.460 0.173 0.000 1.138 421 W HN 0.130 nan 8.180 nan 0.000 0.515 422 T N -0.465 114.199 114.554 0.183 0.000 2.674 422 T HA -0.311 4.041 4.350 0.003 0.000 0.265 422 T C 1.356 176.064 174.700 0.014 0.000 1.039 422 T CA 1.670 63.778 62.100 0.013 0.000 1.150 422 T CB -0.894 67.976 68.868 0.004 0.000 0.864 422 T HN 0.123 nan 8.240 nan 0.000 0.427 423 Y N 2.751 123.021 120.300 -0.049 0.000 2.097 423 Y HA -0.218 4.334 4.550 0.003 0.000 0.282 423 Y C 2.290 178.156 175.900 -0.058 0.000 1.152 423 Y CA 1.507 59.572 58.100 -0.058 0.000 1.136 423 Y CB -0.517 37.910 38.460 -0.055 0.000 0.975 423 Y HN 0.134 nan 8.280 nan 0.000 0.498 424 N N 0.172 118.897 118.700 0.042 0.000 2.120 424 N HA -0.172 4.570 4.740 0.003 0.000 0.188 424 N C 1.949 177.423 175.510 -0.059 0.000 1.024 424 N CA 1.547 54.585 53.050 -0.019 0.000 0.852 424 N CB -0.862 37.649 38.487 0.039 0.000 1.003 424 N HN 0.506 nan 8.380 nan 0.000 0.424 425 A N 1.520 124.274 122.820 -0.109 0.000 1.898 425 A HA -0.108 4.214 4.320 0.003 0.000 0.216 425 A C 2.066 179.496 177.584 -0.256 0.000 1.181 425 A CA 1.127 52.976 52.037 -0.313 0.000 0.620 425 A CB -0.319 18.060 19.000 -1.035 0.000 0.819 425 A HN 0.165 nan 8.150 nan 0.000 0.442 426 E N -0.334 119.715 120.200 -0.252 0.000 2.038 426 E HA -0.195 4.157 4.350 0.003 0.000 0.195 426 E C 1.946 178.422 176.600 -0.207 0.000 1.000 426 E CA 1.213 57.484 56.400 -0.215 0.000 0.803 426 E CB -0.433 29.143 29.700 -0.207 0.000 0.750 426 E HN 0.446 nan 8.360 nan 0.000 0.448 427 L N 0.657 121.710 121.223 -0.283 0.000 2.093 427 L HA -0.130 4.211 4.340 0.003 0.000 0.208 427 L C 2.466 179.252 176.870 -0.139 0.000 1.085 427 L CA 0.822 55.510 54.840 -0.254 0.000 0.755 427 L CB -0.791 41.038 42.059 -0.383 0.000 0.904 427 L HN 0.129 nan 8.230 nan 0.000 0.435 428 L N -1.264 119.900 121.223 -0.099 0.000 2.042 428 L HA -0.186 4.156 4.340 0.003 0.000 0.210 428 L C 2.369 179.224 176.870 -0.025 0.000 1.076 428 L CA 1.659 56.481 54.840 -0.029 0.000 0.749 428 L CB -0.533 41.549 42.059 0.039 0.000 0.893 428 L HN 0.033 nan 8.230 nan 0.000 0.432 429 V N -0.474 119.415 119.914 -0.041 0.000 2.358 429 V HA -0.274 3.848 4.120 0.003 0.000 0.246 429 V C 2.534 178.604 176.094 -0.039 0.000 1.047 429 V CA 1.889 64.172 62.300 -0.029 0.000 1.035 429 V CB -0.429 31.371 31.823 -0.039 0.000 0.658 429 V HN 0.443 nan 8.190 nan 0.000 0.452 430 L N -1.186 119.998 121.223 -0.064 0.000 2.046 430 L HA -0.211 4.131 4.340 0.003 0.000 0.208 430 L C 2.512 179.354 176.870 -0.046 0.000 1.077 430 L CA 1.733 56.538 54.840 -0.059 0.000 0.747 430 L CB -0.437 41.574 42.059 -0.080 0.000 0.896 430 L HN 0.331 nan 8.230 nan 0.000 0.432 431 M N -1.056 118.514 119.600 -0.049 0.000 2.099 431 M HA -0.148 4.334 4.480 0.003 0.000 0.262 431 M C 2.107 178.392 176.300 -0.025 0.000 1.067 431 M CA 1.372 56.650 55.300 -0.036 0.000 1.124 431 M CB -0.354 32.223 32.600 -0.038 0.000 1.353 431 M HN 0.088 nan 8.290 nan 0.000 0.410 432 E N 0.520 120.706 120.200 -0.023 0.000 2.268 432 E HA -0.101 4.251 4.350 0.003 0.000 0.195 432 E C 1.535 178.126 176.600 -0.016 0.000 0.995 432 E CA 0.858 57.245 56.400 -0.021 0.000 0.836 432 E CB -0.413 29.278 29.700 -0.014 0.000 0.763 432 E HN 0.455 nan 8.360 nan 0.000 0.491 433 N N 0.977 119.670 118.700 -0.011 0.000 2.207 433 N HA -0.145 4.597 4.740 0.003 0.000 0.182 433 N C 1.731 177.244 175.510 0.005 0.000 1.020 433 N CA 1.273 54.322 53.050 -0.001 0.000 0.858 433 N CB -0.182 38.303 38.487 -0.004 0.000 0.991 433 N HN 0.453 nan 8.380 nan 0.000 0.427 434 E N 0.751 120.950 120.200 -0.002 0.000 2.204 434 E HA -0.077 4.275 4.350 0.003 0.000 0.194 434 E C 1.598 178.212 176.600 0.022 0.000 0.989 434 E CA 0.718 57.121 56.400 0.005 0.000 0.824 434 E CB 0.093 29.789 29.700 -0.007 0.000 0.756 434 E HN 0.078 nan 8.360 nan 0.000 0.477 435 R N 0.532 121.041 120.500 0.014 0.000 2.075 435 R HA -0.024 4.318 4.340 0.003 0.000 0.232 435 R C 2.322 178.646 176.300 0.040 0.000 1.126 435 R CA 1.754 57.869 56.100 0.025 0.000 0.963 435 R CB -0.957 29.334 30.300 -0.013 0.000 0.858 435 R HN 0.290 nan 8.270 nan 0.000 0.435 436 T N 2.496 117.059 114.554 0.014 0.000 2.674 436 T HA -0.055 4.297 4.350 0.003 0.000 0.265 436 T C 2.102 176.849 174.700 0.078 0.000 1.039 436 T CA 1.092 63.203 62.100 0.018 0.000 1.150 436 T CB -0.247 68.632 68.868 0.019 0.000 0.864 436 T HN 0.114 nan 8.240 nan 0.000 0.427 437 L N 0.986 122.263 121.223 0.091 0.000 2.012 437 L HA -0.147 4.195 4.340 0.003 0.000 0.210 437 L C 2.539 179.459 176.870 0.084 0.000 1.073 437 L CA 1.344 56.243 54.840 0.099 0.000 0.748 437 L CB -0.768 41.312 42.059 0.035 0.000 0.891 437 L HN 0.178 nan 8.230 nan 0.000 0.431 438 D N -0.184 120.276 120.400 0.100 0.000 2.149 438 D HA -0.217 4.425 4.640 0.003 0.000 0.198 438 D C 1.893 178.282 176.300 0.147 0.000 0.990 438 D CA 1.133 55.240 54.000 0.177 0.000 0.839 438 D CB -0.227 40.705 40.800 0.221 0.000 0.948 438 D HN 0.190 nan 8.370 nan 0.000 0.460 439 F N 1.788 121.686 119.950 -0.087 0.000 2.069 439 F HA -0.237 4.292 4.527 0.003 0.000 0.298 439 F C 2.404 178.041 175.800 -0.272 0.000 1.113 439 F CA 1.624 59.494 58.000 -0.215 0.000 1.214 439 F CB -0.449 38.386 39.000 -0.275 0.000 0.978 439 F HN 0.071 nan 8.300 nan 0.000 0.474 440 H N -0.525 118.402 119.070 -0.238 0.000 2.352 440 H HA -0.168 4.391 4.556 0.004 0.000 0.299 440 H C 2.032 177.129 175.328 -0.385 0.000 1.097 440 H CA 1.719 57.571 56.048 -0.326 0.000 1.311 440 H CB -0.797 28.841 29.762 -0.206 0.000 1.377 440 H HN 0.302 nan 8.280 nan 0.000 0.504 441 D N 0.276 120.581 120.400 -0.159 0.000 2.106 441 D HA -0.156 4.486 4.640 0.003 0.000 0.191 441 D C 2.457 178.557 176.300 -0.335 0.000 0.997 441 D CA 1.727 55.614 54.000 -0.189 0.000 0.834 441 D CB -0.237 40.575 40.800 0.021 0.000 0.956 441 D HN 0.226 nan 8.370 nan 0.000 0.448 442 S N -0.395 114.948 115.700 -0.595 0.000 2.370 442 S HA -0.185 4.286 4.470 0.003 0.000 0.226 442 S C 1.816 176.019 174.600 -0.661 0.000 1.033 442 S CA 1.472 59.055 58.200 -1.028 0.000 1.011 442 S CB -0.341 61.993 63.200 -1.442 0.000 0.852 442 S HN 0.215 nan 8.310 nan 0.000 0.457 443 N N 1.041 119.311 118.700 -0.717 0.000 2.104 443 N HA -0.063 4.679 4.740 0.003 0.000 0.190 443 N C 1.785 176.871 175.510 -0.707 0.000 1.024 443 N CA 1.479 54.064 53.050 -0.775 0.000 0.853 443 N CB -0.923 36.912 38.487 -1.085 0.000 1.008 443 N HN 0.317 nan 8.380 nan 0.000 0.424 444 V N 1.312 120.832 119.914 -0.656 0.000 2.307 444 V HA -0.207 3.915 4.120 0.003 0.000 0.245 444 V C 2.393 178.388 176.094 -0.166 0.000 1.045 444 V CA 1.511 63.574 62.300 -0.395 0.000 1.024 444 V CB -0.449 31.197 31.823 -0.296 0.000 0.651 444 V HN 0.265 nan 8.190 nan 0.000 0.449 445 K N 1.062 121.370 120.400 -0.154 0.000 2.074 445 K HA -0.208 4.114 4.320 0.003 0.000 0.209 445 K C 1.780 178.431 176.600 0.085 0.000 1.048 445 K CA 2.002 58.310 56.287 0.035 0.000 0.926 445 K CB -0.410 32.119 32.500 0.048 0.000 0.713 445 K HN 0.459 nan 8.250 nan 0.000 0.444 446 N N 0.228 118.892 118.700 -0.060 0.000 2.270 446 N HA -0.113 4.629 4.740 0.003 0.000 0.181 446 N C 1.520 177.045 175.510 0.024 0.000 1.016 446 N CA 0.941 53.975 53.050 -0.025 0.000 0.870 446 N CB -0.238 38.185 38.487 -0.107 0.000 0.979 446 N HN 0.166 nan 8.380 nan 0.000 0.431 447 L N 0.169 121.390 121.223 -0.004 0.000 2.093 447 L HA -0.080 4.262 4.340 0.003 0.000 0.208 447 L C 2.117 179.091 176.870 0.173 0.000 1.085 447 L CA 1.372 56.244 54.840 0.054 0.000 0.755 447 L CB -0.857 41.191 42.059 -0.018 0.000 0.904 447 L HN 0.103 nan 8.230 nan 0.000 0.435 448 Y N 0.269 120.636 120.300 0.112 0.000 2.114 448 Y HA -0.248 4.303 4.550 0.003 0.000 0.284 448 Y C 2.255 178.294 175.900 0.233 0.000 1.143 448 Y CA 2.110 60.353 58.100 0.238 0.000 1.135 448 Y CB -0.244 38.389 38.460 0.289 0.000 0.980 448 Y HN 0.265 nan 8.280 nan 0.000 0.499 449 D N 0.086 120.648 120.400 0.271 0.000 2.178 449 D HA -0.173 4.469 4.640 0.003 0.000 0.201 449 D C 2.033 178.348 176.300 0.025 0.000 0.980 449 D CA 1.257 55.338 54.000 0.134 0.000 0.842 449 D CB -0.259 40.635 40.800 0.157 0.000 0.948 449 D HN 0.367 nan 8.370 nan 0.000 0.472 450 K N 0.407 120.833 120.400 0.043 0.000 2.097 450 K HA -0.079 4.243 4.320 0.003 0.000 0.205 450 K C 1.833 178.418 176.600 -0.026 0.000 1.050 450 K CA 0.666 56.967 56.287 0.023 0.000 0.938 450 K CB 0.157 32.691 32.500 0.057 0.000 0.718 450 K HN -0.054 nan 8.250 nan 0.000 0.442 451 V N 0.989 120.874 119.914 -0.048 0.000 2.407 451 V HA -0.142 3.980 4.120 0.003 0.000 0.245 451 V C 2.473 178.294 176.094 -0.456 0.000 1.041 451 V CA 1.598 63.794 62.300 -0.174 0.000 1.040 451 V CB -0.453 31.345 31.823 -0.043 0.000 0.671 451 V HN 0.375 nan 8.190 nan 0.000 0.455 452 R N -0.108 120.102 120.500 -0.484 0.000 2.083 452 R HA -0.185 4.157 4.340 0.003 0.000 0.237 452 R C 2.237 178.347 176.300 -0.317 0.000 1.137 452 R CA 2.014 57.781 56.100 -0.554 0.000 0.951 452 R CB -0.284 29.867 30.300 -0.249 0.000 0.851 452 R HN 0.387 nan 8.270 nan 0.000 0.434 453 M N 0.309 119.807 119.600 -0.169 0.000 2.539 453 M HA -0.164 4.318 4.480 0.003 0.000 0.261 453 M C 1.961 178.213 176.300 -0.080 0.000 1.069 453 M CA 1.453 56.700 55.300 -0.087 0.000 1.081 453 M CB 0.118 32.699 32.600 -0.032 0.000 1.412 453 M HN 0.300 nan 8.290 nan 0.000 0.482 454 Q N 0.013 119.732 119.800 -0.135 0.000 2.084 454 Q HA -0.010 4.332 4.340 0.003 0.000 0.194 454 Q C 2.081 178.025 176.000 -0.093 0.000 0.969 454 Q CA 1.008 56.769 55.803 -0.071 0.000 0.829 454 Q CB -0.050 28.630 28.738 -0.097 0.000 0.904 454 Q HN 0.479 nan 8.270 nan 0.000 0.464 455 L N 0.198 121.203 121.223 -0.363 0.000 2.042 455 L HA -0.193 4.149 4.340 0.003 0.000 0.210 455 L C 1.403 178.212 176.870 -0.102 0.000 1.076 455 L CA 0.988 55.606 54.840 -0.370 0.000 0.749 455 L CB -0.652 41.000 42.059 -0.678 0.000 0.893 455 L HN 0.291 nan 8.230 nan 0.000 0.432 456 R N -0.598 119.820 120.500 -0.138 0.000 3.896 456 R HA -0.317 4.025 4.340 0.003 0.000 0.391 456 R C 1.436 177.748 176.300 0.020 0.000 0.244 456 R CA 2.019 58.099 56.100 -0.033 0.000 1.261 456 R CB -1.529 28.788 30.300 0.027 0.000 0.966 456 R HN 0.260 nan 8.270 nan 0.000 0.576 457 D N 0.525 120.979 120.400 0.090 0.000 2.162 457 D HA 0.001 4.643 4.640 0.003 0.000 0.203 457 D C 1.264 177.727 176.300 0.271 0.000 0.967 457 D CA 1.227 55.321 54.000 0.157 0.000 0.840 457 D CB -0.455 40.426 40.800 0.136 0.000 0.972 457 D HN 0.393 nan 8.370 nan 0.000 0.482 458 N N 0.016 118.879 118.700 0.273 0.000 2.609 458 N HA -0.028 4.714 4.740 0.003 0.000 0.190 458 N C 0.005 175.660 175.510 0.242 0.000 1.157 458 N CA -0.052 53.255 53.050 0.429 0.000 0.918 458 N CB 0.583 39.408 38.487 0.564 0.000 0.978 458 N HN 0.072 nan 8.380 nan 0.000 0.448 459 V N -2.607 117.285 119.914 -0.036 0.000 2.971 459 V HA 0.355 4.477 4.120 0.003 0.000 0.309 459 V C -0.752 175.135 176.094 -0.345 0.000 1.130 459 V CA -1.377 60.689 62.300 -0.390 0.000 0.964 459 V CB 2.227 33.785 31.823 -0.441 0.000 1.029 459 V HN -0.123 nan 8.190 nan 0.000 0.427 460 K N 2.227 122.332 120.400 -0.492 0.000 2.262 460 K HA 0.334 4.656 4.320 0.003 0.000 0.282 460 K C -0.009 176.563 176.600 -0.046 0.000 1.066 460 K CA -0.233 55.929 56.287 -0.208 0.000 0.901 460 K CB 0.986 33.353 32.500 -0.222 0.000 1.089 460 K HN 0.981 nan 8.250 nan 0.000 0.476 461 E N 5.621 125.855 120.200 0.055 0.000 2.159 461 E HA -0.010 4.342 4.350 0.003 0.000 0.272 461 E C 0.669 177.253 176.600 -0.028 0.000 1.138 461 E CA -0.141 56.300 56.400 0.069 0.000 0.915 461 E CB 0.384 30.172 29.700 0.147 0.000 1.028 461 E HN 0.710 nan 8.360 nan 0.000 0.423 462 L N 3.751 124.920 121.223 -0.091 0.000 2.093 462 L HA -0.024 4.318 4.340 0.003 0.000 0.208 462 L C 1.702 178.544 176.870 -0.047 0.000 1.085 462 L CA 1.092 55.895 54.840 -0.062 0.000 0.755 462 L CB -0.317 41.701 42.059 -0.068 0.000 0.904 462 L HN 0.941 nan 8.230 nan 0.000 0.435 463 G N 0.008 108.770 108.800 -0.064 0.000 2.201 463 G HA2 -0.252 3.710 3.960 0.003 0.000 0.212 463 G HA3 -0.252 3.710 3.960 0.003 0.000 0.212 463 G C 0.446 175.356 174.900 0.016 0.000 0.994 463 G CA 0.341 45.402 45.100 -0.065 0.000 0.644 463 G HN 0.495 nan 8.290 nan 0.000 0.508 464 N N 0.573 119.294 118.700 0.036 0.000 2.235 464 N HA 0.443 5.185 4.740 0.003 0.000 0.209 464 N C 1.490 177.069 175.510 0.115 0.000 1.122 464 N CA 0.665 53.768 53.050 0.089 0.000 0.845 464 N CB 0.265 38.776 38.487 0.041 0.000 1.004 464 N HN 1.616 nan 8.380 nan 0.000 0.499 465 G N -0.965 107.912 108.800 0.129 0.000 2.141 465 G HA2 -0.233 3.729 3.960 0.003 0.000 0.231 465 G HA3 -0.233 3.729 3.960 0.003 0.000 0.231 465 G C -0.255 174.713 174.900 0.114 0.000 0.984 465 G CA 0.077 45.310 45.100 0.221 0.000 0.660 465 G HN 0.468 nan 8.290 nan 0.000 0.525 466 C N -0.303 118.927 119.300 -0.117 0.000 2.454 466 C HA 0.856 5.318 4.460 0.003 0.000 0.336 466 C C -0.159 174.513 174.990 -0.530 0.000 1.189 466 C CA -0.721 58.184 59.018 -0.188 0.000 1.877 466 C CB 0.861 28.578 27.740 -0.039 0.000 2.348 466 C HN 0.320 nan 8.230 nan 0.000 0.508 467 F N 1.209 121.122 119.950 -0.061 0.000 2.477 467 F HA 0.382 4.911 4.527 0.003 0.000 0.335 467 F C 0.231 175.824 175.800 -0.344 0.000 1.130 467 F CA -0.395 57.452 58.000 -0.254 0.000 0.948 467 F CB 0.965 39.714 39.000 -0.419 0.000 1.154 467 F HN 0.541 nan 8.300 nan 0.000 0.439 468 E N 3.953 124.061 120.200 -0.153 0.000 2.130 468 E HA 0.294 4.646 4.350 0.003 0.000 0.284 468 E C -0.952 175.470 176.600 -0.295 0.000 1.018 468 E CA -0.573 55.730 56.400 -0.161 0.000 0.817 468 E CB 0.671 30.305 29.700 -0.110 0.000 1.078 468 E HN 0.416 nan 8.360 nan 0.000 0.396 469 F N 3.236 123.091 119.950 -0.157 0.000 2.529 469 F HA 0.005 4.534 4.527 0.003 0.000 0.365 469 F C 0.943 176.625 175.800 -0.196 0.000 1.102 469 F CA 0.294 58.148 58.000 -0.242 0.000 1.271 469 F CB 0.436 39.258 39.000 -0.297 0.000 1.120 469 F HN 0.681 nan 8.300 nan 0.000 0.579 470 Y N 0.289 120.676 120.300 0.145 0.000 2.243 470 Y HA -0.106 4.446 4.550 0.003 0.000 0.293 470 Y C 1.232 177.225 175.900 0.155 0.000 1.124 470 Y CA 0.483 58.667 58.100 0.141 0.000 1.159 470 Y CB -0.128 38.429 38.460 0.162 0.000 1.008 470 Y HN 0.602 nan 8.280 nan 0.000 0.527 471 H N -0.884 118.391 119.070 0.342 0.000 2.499 471 H HA 0.379 4.937 4.556 0.003 0.000 0.352 471 H C -0.628 174.768 175.328 0.112 0.000 1.237 471 H CA -1.297 54.867 56.048 0.193 0.000 1.343 471 H CB 0.475 30.330 29.762 0.154 0.000 1.578 471 H HN -0.208 nan 8.280 nan 0.000 0.577 472 K N 0.562 121.039 120.400 0.128 0.000 2.270 472 K HA 0.286 4.608 4.320 0.003 0.000 0.276 472 K C -1.062 175.483 176.600 -0.092 0.000 1.023 472 K CA -0.495 55.784 56.287 -0.012 0.000 0.955 472 K CB 1.056 33.573 32.500 0.028 0.000 0.975 472 K HN 0.555 nan 8.250 nan 0.000 0.471 473 c N 4.533 122.950 118.600 -0.306 0.000 2.814 473 c HA 0.157 4.728 4.570 0.003 0.000 0.269 473 c C -0.452 173.484 174.090 -0.258 0.000 1.090 473 c CA -0.925 55.142 56.329 -0.436 0.000 1.492 473 c CB -1.252 40.506 42.510 -1.253 0.000 1.825 473 c HN 0.913 nan 8.230 nan 0.000 0.442 474 D N 1.906 122.222 120.400 -0.140 0.000 2.380 474 D HA 0.122 4.764 4.640 0.003 0.000 0.254 474 D C 0.831 177.060 176.300 -0.120 0.000 1.288 474 D CA -0.193 53.748 54.000 -0.098 0.000 1.008 474 D CB 0.672 41.436 40.800 -0.061 0.000 1.099 474 D HN 0.303 nan 8.370 nan 0.000 0.537 475 D N -1.084 119.256 120.400 -0.099 0.000 2.265 475 D HA -0.124 4.518 4.640 0.003 0.000 0.208 475 D C 1.481 177.711 176.300 -0.116 0.000 0.977 475 D CA 0.804 54.727 54.000 -0.128 0.000 0.871 475 D CB 0.011 40.759 40.800 -0.087 0.000 0.925 475 D HN 0.359 nan 8.370 nan 0.000 0.485 476 E N -0.423 119.727 120.200 -0.085 0.000 2.158 476 E HA -0.070 4.282 4.350 0.003 0.000 0.191 476 E C 2.079 178.641 176.600 -0.063 0.000 0.982 476 E CA 0.151 56.511 56.400 -0.067 0.000 0.823 476 E CB -0.309 29.361 29.700 -0.051 0.000 0.766 476 E HN 0.288 nan 8.360 nan 0.000 0.468 477 c N 0.630 119.185 118.600 -0.074 0.000 2.457 477 c HA -0.049 4.523 4.570 0.003 0.000 0.278 477 c C 2.542 176.608 174.090 -0.040 0.000 1.309 477 c CA 0.300 56.603 56.329 -0.042 0.000 1.735 477 c CB -0.721 41.744 42.510 -0.075 0.000 1.992 477 c HN 0.294 nan 8.230 nan 0.000 0.493 478 M N 1.887 121.408 119.600 -0.132 0.000 2.065 478 M HA -0.106 4.375 4.480 0.003 0.000 0.259 478 M C 1.815 178.027 176.300 -0.147 0.000 1.071 478 M CA 1.764 56.967 55.300 -0.162 0.000 1.109 478 M CB -1.963 30.442 32.600 -0.325 0.000 1.313 478 M HN 0.442 nan 8.290 nan 0.000 0.408 479 N N 1.019 119.634 118.700 -0.142 0.000 2.133 479 N HA -0.164 4.578 4.740 0.003 0.000 0.193 479 N C 1.773 177.248 175.510 -0.059 0.000 1.012 479 N CA 2.009 54.996 53.050 -0.105 0.000 0.871 479 N CB -0.846 37.596 38.487 -0.076 0.000 1.011 479 N HN 0.553 nan 8.380 nan 0.000 0.435 480 S N -0.040 115.651 115.700 -0.015 0.000 2.383 480 S HA -0.043 4.429 4.470 0.003 0.000 0.227 480 S C 2.118 176.760 174.600 0.070 0.000 1.026 480 S CA 1.038 59.264 58.200 0.043 0.000 0.981 480 S CB -0.653 62.596 63.200 0.082 0.000 0.818 480 S HN 0.082 nan 8.310 nan 0.000 0.472 481 V N 2.557 122.498 119.914 0.044 0.000 2.307 481 V HA -0.109 4.013 4.120 0.003 0.000 0.245 481 V C 2.600 178.624 176.094 -0.116 0.000 1.045 481 V CA 1.979 64.261 62.300 -0.031 0.000 1.024 481 V CB -0.704 31.076 31.823 -0.071 0.000 0.651 481 V HN 0.518 nan 8.190 nan 0.000 0.449 482 K N 0.150 120.397 120.400 -0.254 0.000 2.288 482 K HA -0.097 4.225 4.320 0.003 0.000 0.201 482 K C 1.897 178.476 176.600 -0.035 0.000 1.048 482 K CA 1.087 57.167 56.287 -0.345 0.000 0.956 482 K CB -0.232 31.932 32.500 -0.560 0.000 0.746 482 K HN 0.364 nan 8.250 nan 0.000 0.461 483 N N -0.111 118.578 118.700 -0.018 0.000 2.250 483 N HA -0.064 4.678 4.740 0.003 0.000 0.181 483 N C 1.265 176.806 175.510 0.052 0.000 1.017 483 N CA 1.489 54.556 53.050 0.029 0.000 0.866 483 N CB 0.377 38.876 38.487 0.019 0.000 0.985 483 N HN 0.393 nan 8.380 nan 0.000 0.429 484 G N -1.711 107.121 108.800 0.053 0.000 2.201 484 G HA2 -0.262 3.700 3.960 0.003 0.000 0.212 484 G HA3 -0.262 3.700 3.960 0.003 0.000 0.212 484 G C 0.983 175.926 174.900 0.072 0.000 0.994 484 G CA 0.682 45.820 45.100 0.063 0.000 0.644 484 G HN 0.350 nan 8.290 nan 0.000 0.508 485 T N -0.511 114.085 114.554 0.071 0.000 3.101 485 T HA 0.225 4.576 4.350 0.003 0.000 0.214 485 T C 0.761 175.544 174.700 0.138 0.000 1.259 485 T CA 1.424 63.567 62.100 0.072 0.000 1.832 485 T CB -0.363 68.533 68.868 0.046 0.000 1.077 485 T HN 1.449 nan 8.240 nan 0.000 0.356 486 Y N 2.077 122.372 120.300 -0.007 0.000 2.525 486 Y HA -0.172 4.380 4.550 0.003 0.000 0.028 486 Y C -0.122 175.779 175.900 0.001 0.000 1.718 486 Y CA 0.919 59.021 58.100 0.004 0.000 1.406 486 Y CB -0.153 38.319 38.460 0.021 0.000 2.052 486 Y HN 0.812 nan 8.280 nan 0.000 0.257 487 D N 0.000 119.871 120.400 -0.881 0.000 6.856 487 D HA 0.000 4.642 4.640 0.003 0.000 0.175 487 D CA 0.000 53.640 54.000 -0.600 0.000 0.868 487 D CB 0.000 40.673 40.800 -0.211 0.000 0.688 487 D HN 0.000 nan 8.370 nan 0.000 0.683