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 3bc8_1_A DATA FIRST_RESID 23 DATA SEQUENCE EARRAHEHLI RLLLEQGKCP EDGWDESTLE LFLHELAVMD SNNFLGNCGV DATA SEQUENCE GEREGRVASA LVARRHYRFI HGIGRXXXXX XXQPKAAGSS LLNKITNSLV DATA SEQUENCE LNVIKLAGVH SVASCFVVPM ATGMSLTLCF LTLRHKRPKA KYIIWPRIDQ DATA SEQUENCE KSCFKSMVTA GFEPVVIENV LEGDELRTDL KAVEAKIQEL GPEHILCLHS DATA SEQUENCE TTACFAPRVP DRLEELAVIC ANYDIPHVVN NAYGLQSSKC MHLIQQGARV DATA SEQUENCE GRIDAFVQSL DXNFMVPVGG AIIAGFNEPF IQDISKMYPG RASASPSLDV DATA SEQUENCE LITLLSLGCS GYRKLLKERK EMFVYLSTQL KKLAEAHNER LLQTPHNPIS DATA SEQUENCE LAMTLKTIDG HHDKAVTQLG SMLFTRQVSG ARAVPLGNVQ TVSGHTFRGF DATA SEQUENCE MSHADNYPCA YLNAAAAIGM KMQDVDLFIK RLDKCLNIVR KEQTR 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 23 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.595 176.600 -0.008 0.000 1.382 23 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 23 E CB 0.000 29.699 29.700 -0.001 0.000 0.812 24 A N 4.164 126.991 122.820 0.011 0.000 1.873 24 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 24 A C 2.040 179.689 177.584 0.108 0.000 1.193 24 A CA 2.118 54.178 52.037 0.038 0.000 0.629 24 A CB -0.527 18.512 19.000 0.065 0.000 0.826 24 A HN 0.717 nan 8.150 nan 0.000 0.447 25 R N -0.518 120.048 120.500 0.112 0.000 2.096 25 R HA -0.102 4.238 4.340 -0.001 0.000 0.235 25 R C 2.375 178.736 176.300 0.102 0.000 1.127 25 R CA 1.564 57.747 56.100 0.139 0.000 0.968 25 R CB -0.260 30.078 30.300 0.064 0.000 0.861 25 R HN 0.540 nan 8.270 nan 0.000 0.440 26 R N -0.228 120.299 120.500 0.044 0.000 2.120 26 R HA -0.096 4.243 4.340 -0.001 0.000 0.234 26 R C 2.278 178.581 176.300 0.006 0.000 1.123 26 R CA 1.276 57.389 56.100 0.023 0.000 0.975 26 R CB -0.340 29.961 30.300 0.002 0.000 0.866 26 R HN 0.295 nan 8.270 nan 0.000 0.446 27 A N 0.889 123.678 122.820 -0.051 0.000 1.902 27 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 27 A C 1.773 179.255 177.584 -0.170 0.000 1.181 27 A CA 1.221 53.181 52.037 -0.129 0.000 0.623 27 A CB -0.607 18.261 19.000 -0.220 0.000 0.818 27 A HN 0.320 nan 8.150 nan 0.000 0.443 28 H N -0.307 118.704 119.070 -0.098 0.000 2.321 28 H HA -0.099 4.457 4.556 -0.001 0.000 0.300 28 H C 2.051 177.270 175.328 -0.181 0.000 1.087 28 H CA 1.727 57.662 56.048 -0.189 0.000 1.319 28 H CB -0.279 29.391 29.762 -0.153 0.000 1.379 28 H HN 0.669 nan 8.280 nan 0.000 0.501 29 E N -0.055 120.173 120.200 0.046 0.000 2.085 29 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 29 E C 2.241 178.846 176.600 0.008 0.000 0.994 29 E CA 0.830 57.247 56.400 0.028 0.000 0.801 29 E CB -0.195 29.536 29.700 0.052 0.000 0.743 29 E HN 0.560 nan 8.360 nan 0.000 0.453 30 H N 1.082 120.106 119.070 -0.076 0.000 2.319 30 H HA -0.138 4.418 4.556 -0.001 0.000 0.299 30 H C 2.179 177.451 175.328 -0.093 0.000 1.092 30 H CA 1.398 57.402 56.048 -0.073 0.000 1.302 30 H CB -0.076 29.638 29.762 -0.081 0.000 1.373 30 H HN 0.139 nan 8.280 nan 0.000 0.497 31 L N 0.284 121.344 121.223 -0.272 0.000 2.046 31 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 31 L C 2.892 179.607 176.870 -0.258 0.000 1.077 31 L CA 1.105 55.720 54.840 -0.374 0.000 0.747 31 L CB -0.355 41.310 42.059 -0.656 0.000 0.896 31 L HN 0.286 nan 8.230 nan 0.000 0.432 32 I N -0.566 119.828 120.570 -0.294 0.000 2.202 32 I HA -0.291 3.878 4.170 -0.001 0.000 0.242 32 I C 2.844 178.940 176.117 -0.035 0.000 1.091 32 I CA 1.120 62.334 61.300 -0.144 0.000 1.368 32 I CB -0.303 37.666 38.000 -0.050 0.000 1.058 32 I HN 0.205 nan 8.210 nan 0.000 0.410 33 R N 1.286 121.758 120.500 -0.046 0.000 2.083 33 R HA -0.185 4.154 4.340 -0.001 0.000 0.237 33 R C 2.356 178.625 176.300 -0.052 0.000 1.137 33 R CA 1.597 57.684 56.100 -0.023 0.000 0.951 33 R CB -0.307 29.984 30.300 -0.015 0.000 0.851 33 R HN 0.280 nan 8.270 nan 0.000 0.434 34 L N 0.520 121.661 121.223 -0.136 0.000 2.013 34 L HA -0.245 4.094 4.340 -0.001 0.000 0.212 34 L C 2.533 179.377 176.870 -0.043 0.000 1.073 34 L CA 1.067 55.837 54.840 -0.117 0.000 0.753 34 L CB -0.650 41.286 42.059 -0.204 0.000 0.890 34 L HN 0.303 nan 8.230 nan 0.000 0.432 35 L N -0.134 121.083 121.223 -0.011 0.000 2.012 35 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 35 L C 2.323 179.182 176.870 -0.019 0.000 1.073 35 L CA 1.785 56.611 54.840 -0.023 0.000 0.748 35 L CB -0.429 41.604 42.059 -0.042 0.000 0.891 35 L HN 0.112 nan 8.230 nan 0.000 0.431 36 L N -0.965 120.267 121.223 0.015 0.000 2.093 36 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 36 L C 2.485 179.375 176.870 0.032 0.000 1.085 36 L CA 1.326 56.200 54.840 0.056 0.000 0.755 36 L CB -0.544 41.577 42.059 0.103 0.000 0.904 36 L HN 0.371 nan 8.230 nan 0.000 0.435 37 E N 0.008 120.217 120.200 0.015 0.000 2.076 37 E HA -0.187 4.163 4.350 -0.001 0.000 0.190 37 E C 1.610 178.213 176.600 0.005 0.000 0.979 37 E CA 1.089 57.496 56.400 0.011 0.000 0.807 37 E CB 0.113 29.817 29.700 0.007 0.000 0.761 37 E HN 0.616 nan 8.360 nan 0.000 0.454 38 Q N -0.857 118.940 119.800 -0.004 0.000 2.171 38 Q HA 0.253 4.593 4.340 -0.001 0.000 0.218 38 Q C 0.866 176.857 176.000 -0.015 0.000 0.822 38 Q CA 0.380 56.180 55.803 -0.006 0.000 0.987 38 Q CB 1.060 29.796 28.738 -0.003 0.000 1.144 38 Q HN 0.195 nan 8.270 nan 0.000 0.494 39 G N 1.947 110.734 108.800 -0.022 0.000 2.233 39 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.270 39 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.270 39 G C -0.210 174.656 174.900 -0.057 0.000 1.011 39 G CA 0.864 45.941 45.100 -0.038 0.000 0.762 39 G HN 0.321 nan 8.290 nan 0.000 0.511 40 K N -0.817 119.551 120.400 -0.055 0.000 2.118 40 K HA 0.501 4.821 4.320 -0.001 0.000 0.254 40 K C 0.712 177.257 176.600 -0.091 0.000 0.961 40 K CA -0.710 55.543 56.287 -0.058 0.000 0.876 40 K CB 1.254 33.738 32.500 -0.027 0.000 1.077 40 K HN 0.188 nan 8.250 nan 0.000 0.440 41 C N 3.953 123.195 119.300 -0.096 0.000 2.648 41 C HA 0.139 4.598 4.460 -0.001 0.000 0.415 41 C C -1.724 173.217 174.990 -0.081 0.000 1.366 41 C CA -1.482 57.460 59.018 -0.127 0.000 1.756 41 C CB -1.184 26.494 27.740 -0.104 0.000 2.549 41 C HN 0.568 nan 8.230 nan 0.000 0.597 42 P HA 0.056 nan 4.420 nan 0.000 0.269 42 P C 0.755 178.065 177.300 0.018 0.000 1.209 42 P CA 0.393 63.492 63.100 -0.001 0.000 0.776 42 P CB 0.711 32.446 31.700 0.058 0.000 0.876 43 E N 0.907 121.134 120.200 0.046 0.000 2.051 43 E HA -0.109 4.241 4.350 -0.001 0.000 0.192 43 E C 0.089 176.723 176.600 0.057 0.000 0.991 43 E CA 1.510 57.939 56.400 0.048 0.000 0.799 43 E CB -0.077 29.652 29.700 0.049 0.000 0.748 43 E HN 0.559 nan 8.360 nan 0.000 0.449 44 D N -0.509 119.936 120.400 0.076 0.000 2.198 44 D HA 0.318 4.958 4.640 -0.001 0.000 0.247 44 D C 0.147 176.518 176.300 0.119 0.000 1.010 44 D CA -0.284 53.768 54.000 0.085 0.000 0.880 44 D CB 1.458 42.306 40.800 0.080 0.000 1.209 44 D HN -0.054 nan 8.370 nan 0.000 0.451 45 G N 0.592 109.455 108.800 0.105 0.000 2.441 45 G HA2 0.104 4.064 3.960 -0.001 0.000 0.243 45 G HA3 0.104 4.064 3.960 -0.001 0.000 0.243 45 G C -0.364 174.688 174.900 0.254 0.000 1.281 45 G CA -0.415 44.756 45.100 0.119 0.000 0.854 45 G HN 0.269 nan 8.290 nan 0.000 0.560 46 W N 0.712 122.009 121.300 -0.005 0.000 2.181 46 W HA 0.206 4.865 4.660 -0.001 0.000 0.335 46 W C 0.445 176.977 176.519 0.022 0.000 1.310 46 W CA -0.817 56.528 57.345 -0.000 0.000 1.226 46 W CB 0.148 29.600 29.460 -0.014 0.000 1.155 46 W HN 0.411 nan 8.180 nan 0.000 0.565 47 D N 1.378 121.909 120.400 0.219 0.000 2.419 47 D HA -0.080 4.560 4.640 -0.001 0.000 0.236 47 D C 1.360 177.775 176.300 0.191 0.000 1.165 47 D CA 0.301 54.396 54.000 0.158 0.000 0.882 47 D CB 0.559 41.424 40.800 0.109 0.000 1.201 47 D HN 0.453 nan 8.370 nan 0.000 0.443 48 E N 0.240 120.528 120.200 0.146 0.000 2.118 48 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 48 E C 1.916 178.584 176.600 0.113 0.000 0.992 48 E CA 1.408 57.890 56.400 0.136 0.000 0.804 48 E CB 0.075 29.838 29.700 0.106 0.000 0.741 48 E HN 0.497 nan 8.360 nan 0.000 0.458 49 S N 0.226 115.979 115.700 0.090 0.000 2.359 49 S HA -0.190 4.280 4.470 -0.001 0.000 0.224 49 S C 2.152 176.744 174.600 -0.014 0.000 1.035 49 S CA 1.738 59.953 58.200 0.024 0.000 1.018 49 S CB -0.761 62.467 63.200 0.045 0.000 0.876 49 S HN 0.123 nan 8.310 nan 0.000 0.448 50 T N 2.904 117.511 114.554 0.088 0.000 2.708 50 T HA 0.033 4.383 4.350 -0.001 0.000 0.266 50 T C 1.726 176.500 174.700 0.123 0.000 1.037 50 T CA 1.298 63.418 62.100 0.033 0.000 1.146 50 T CB -0.641 68.123 68.868 -0.173 0.000 0.865 50 T HN 0.290 nan 8.240 nan 0.000 0.435 51 L N 1.550 122.977 121.223 0.341 0.000 2.012 51 L HA -0.084 4.255 4.340 -0.001 0.000 0.210 51 L C 2.253 179.285 176.870 0.269 0.000 1.073 51 L CA 1.854 56.987 54.840 0.489 0.000 0.748 51 L CB -0.674 41.591 42.059 0.343 0.000 0.891 51 L HN 0.262 nan 8.230 nan 0.000 0.431 52 E N -0.923 119.331 120.200 0.091 0.000 2.152 52 E HA -0.202 4.148 4.350 -0.001 0.000 0.192 52 E C 2.164 178.636 176.600 -0.213 0.000 0.983 52 E CA 0.948 57.303 56.400 -0.076 0.000 0.818 52 E CB -0.211 29.435 29.700 -0.091 0.000 0.758 52 E HN 0.343 nan 8.360 nan 0.000 0.467 53 L N 0.593 121.746 121.223 -0.117 0.000 2.012 53 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 53 L C 2.142 179.080 176.870 0.114 0.000 1.073 53 L CA 1.581 56.380 54.840 -0.069 0.000 0.748 53 L CB -0.633 41.354 42.059 -0.121 0.000 0.891 53 L HN 0.105 nan 8.230 nan 0.000 0.431 54 F N -0.548 119.435 119.950 0.055 0.000 2.102 54 F HA -0.231 4.296 4.527 -0.001 0.000 0.298 54 F C 2.188 178.101 175.800 0.189 0.000 1.105 54 F CA 1.674 59.769 58.000 0.158 0.000 1.239 54 F CB -0.472 38.731 39.000 0.339 0.000 0.991 54 F HN 0.004 nan 8.300 nan 0.000 0.474 55 L N -0.642 120.636 121.223 0.092 0.000 2.046 55 L HA -0.268 4.071 4.340 -0.001 0.000 0.208 55 L C 2.630 179.606 176.870 0.177 0.000 1.077 55 L CA 1.731 56.614 54.840 0.072 0.000 0.747 55 L CB -1.104 40.955 42.059 0.000 0.000 0.896 55 L HN 0.277 nan 8.230 nan 0.000 0.432 56 H N -0.565 118.521 119.070 0.027 0.000 2.353 56 H HA -0.129 4.427 4.556 -0.001 0.000 0.300 56 H C 2.191 177.491 175.328 -0.046 0.000 1.090 56 H CA 0.840 56.886 56.048 -0.003 0.000 1.327 56 H CB 0.316 30.102 29.762 0.040 0.000 1.383 56 H HN 0.342 nan 8.280 nan 0.000 0.508 57 E N 0.971 121.236 120.200 0.108 0.000 2.077 57 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 57 E C 2.479 179.076 176.600 -0.006 0.000 0.989 57 E CA 0.486 56.914 56.400 0.047 0.000 0.800 57 E CB -0.217 29.529 29.700 0.076 0.000 0.746 57 E HN 0.483 nan 8.360 nan 0.000 0.452 58 L N 0.539 121.716 121.223 -0.077 0.000 2.046 58 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 58 L C 2.595 179.482 176.870 0.029 0.000 1.077 58 L CA 1.164 55.998 54.840 -0.011 0.000 0.747 58 L CB -0.528 41.525 42.059 -0.009 0.000 0.896 58 L HN 0.076 nan 8.230 nan 0.000 0.432 59 A N -0.528 122.153 122.820 -0.231 0.000 1.933 59 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 59 A C 2.305 179.766 177.584 -0.205 0.000 1.175 59 A CA 1.522 53.212 52.037 -0.579 0.000 0.628 59 A CB -0.802 17.669 19.000 -0.881 0.000 0.814 59 A HN 0.208 nan 8.150 nan 0.000 0.444 60 V N -0.057 119.808 119.914 -0.082 0.000 2.568 60 V HA -0.310 3.810 4.120 -0.001 0.000 0.253 60 V C 2.473 178.673 176.094 0.177 0.000 1.072 60 V CA 2.199 64.521 62.300 0.037 0.000 1.084 60 V CB -0.678 31.166 31.823 0.035 0.000 0.676 60 V HN 0.617 nan 8.190 nan 0.000 0.469 61 M N -1.035 118.654 119.600 0.149 0.000 2.492 61 M HA 0.018 4.498 4.480 -0.001 0.000 0.262 61 M C 0.173 176.642 176.300 0.281 0.000 1.090 61 M CA 0.611 56.065 55.300 0.257 0.000 1.110 61 M CB -0.147 32.545 32.600 0.153 0.000 1.407 61 M HN 0.211 nan 8.290 nan 0.000 0.470 62 D N 0.201 120.652 120.400 0.086 0.000 2.304 62 D HA 0.074 4.713 4.640 -0.001 0.000 0.250 62 D C 1.082 177.080 176.300 -0.503 0.000 1.107 62 D CA 0.021 53.973 54.000 -0.079 0.000 0.885 62 D CB 1.382 42.190 40.800 0.012 0.000 1.192 62 D HN 0.116 nan 8.370 nan 0.000 0.436 63 S N 2.594 117.838 115.700 -0.760 0.000 2.399 63 S HA -0.225 4.244 4.470 -0.001 0.000 0.231 63 S C 1.402 175.584 174.600 -0.696 0.000 1.022 63 S CA 0.817 58.163 58.200 -1.425 0.000 0.983 63 S CB -0.300 62.456 63.200 -0.741 0.000 0.803 63 S HN 0.609 nan 8.310 nan 0.000 0.480 64 N N 2.574 121.120 118.700 -0.256 0.000 2.364 64 N HA -0.136 4.604 4.740 -0.001 0.000 0.183 64 N C 0.780 176.198 175.510 -0.154 0.000 1.022 64 N CA 1.214 54.166 53.050 -0.165 0.000 0.883 64 N CB -0.775 37.575 38.487 -0.229 0.000 0.965 64 N HN 0.438 nan 8.380 nan 0.000 0.438 65 N N -0.178 118.419 118.700 -0.171 0.000 2.280 65 N HA 0.069 4.809 4.740 -0.001 0.000 0.192 65 N C -0.431 175.150 175.510 0.117 0.000 1.109 65 N CA -0.122 52.895 53.050 -0.055 0.000 0.855 65 N CB -0.063 38.381 38.487 -0.073 0.000 0.974 65 N HN 0.064 nan 8.380 nan 0.000 0.482 66 F N 1.407 121.346 119.950 -0.019 0.000 2.572 66 F HA 0.076 4.603 4.527 -0.001 0.000 0.370 66 F C 1.993 177.782 175.800 -0.018 0.000 1.103 66 F CA -0.699 57.292 58.000 -0.015 0.000 1.286 66 F CB 0.291 39.288 39.000 -0.004 0.000 1.105 66 F HN -0.136 nan 8.300 nan 0.000 0.583 67 L N 2.274 123.595 121.223 0.164 0.000 2.093 67 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 67 L C 2.216 179.130 176.870 0.074 0.000 1.085 67 L CA 1.483 56.370 54.840 0.078 0.000 0.755 67 L CB -0.681 41.398 42.059 0.034 0.000 0.904 67 L HN 0.827 nan 8.230 nan 0.000 0.435 68 G N -0.896 107.955 108.800 0.086 0.000 3.042 68 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.212 68 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.212 68 G C 0.569 175.530 174.900 0.101 0.000 1.166 68 G CA -0.358 44.782 45.100 0.066 0.000 0.767 68 G HN 0.261 nan 8.290 nan 0.000 0.546 69 N N 0.627 119.422 118.700 0.158 0.000 2.458 69 N HA 0.131 4.870 4.740 -0.001 0.000 0.258 69 N C -0.172 175.379 175.510 0.069 0.000 1.219 69 N CA 0.256 53.392 53.050 0.143 0.000 0.902 69 N CB 0.923 39.486 38.487 0.126 0.000 1.076 69 N HN 0.223 nan 8.380 nan 0.000 0.455 70 C N 1.397 120.731 119.300 0.055 0.000 2.563 70 C HA 0.906 5.366 4.460 -0.001 0.000 0.314 70 C C 0.301 175.305 174.990 0.023 0.000 1.199 70 C CA -0.845 58.192 59.018 0.031 0.000 1.564 70 C CB 0.691 28.447 27.740 0.026 0.000 2.173 70 C HN 0.677 nan 8.230 nan 0.000 0.485 71 G N 1.389 110.196 108.800 0.012 0.000 2.544 71 G HA2 0.618 4.578 3.960 -0.001 0.000 0.313 71 G HA3 0.618 4.578 3.960 -0.001 0.000 0.313 71 G C -0.114 174.790 174.900 0.007 0.000 1.316 71 G CA -0.088 45.017 45.100 0.008 0.000 0.944 71 G HN 1.993 nan 8.290 nan 0.000 0.489 72 V N 0.532 120.450 119.914 0.006 0.000 3.111 72 V HA 0.655 4.775 4.120 -0.001 0.000 0.343 72 V C 0.672 176.767 176.094 0.002 0.000 1.417 72 V CA 0.344 62.647 62.300 0.004 0.000 1.142 72 V CB 0.149 31.974 31.823 0.004 0.000 1.114 72 V HN 0.816 nan 8.190 nan 0.000 0.520 73 G N 0.799 109.601 108.800 0.004 0.000 2.887 73 G HA2 0.562 4.522 3.960 -0.001 0.000 0.277 73 G HA3 0.562 4.522 3.960 -0.001 0.000 0.277 73 G C 0.422 175.326 174.900 0.006 0.000 1.346 73 G CA 0.384 45.486 45.100 0.003 0.000 1.058 73 G HN 0.293 nan 8.290 nan 0.000 0.535 74 E N -0.959 119.245 120.200 0.006 0.000 2.474 74 E HA 0.022 4.371 4.350 -0.001 0.000 0.194 74 E C 0.865 177.473 176.600 0.014 0.000 1.041 74 E CA -0.002 56.402 56.400 0.007 0.000 0.874 74 E CB 0.478 30.180 29.700 0.003 0.000 0.914 74 E HN 0.410 nan 8.360 nan 0.000 0.498 75 R N 1.059 121.575 120.500 0.028 0.000 2.629 75 R HA 0.133 4.472 4.340 -0.001 0.000 0.277 75 R C -0.143 176.230 176.300 0.121 0.000 1.637 75 R CA -0.120 56.014 56.100 0.056 0.000 1.663 75 R CB 0.436 30.770 30.300 0.058 0.000 1.228 75 R HN -0.183 nan 8.270 nan 0.000 0.632 76 E N 0.743 120.989 120.200 0.076 0.000 2.479 76 E HA 0.106 4.455 4.350 -0.001 0.000 0.193 76 E C 0.866 177.456 176.600 -0.017 0.000 1.049 76 E CA 0.555 57.011 56.400 0.093 0.000 0.870 76 E CB 1.027 30.740 29.700 0.022 0.000 0.944 76 E HN 0.844 nan 8.360 nan 0.000 0.492 77 G N 2.591 111.295 108.800 -0.159 0.000 2.221 77 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.265 77 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.265 77 G C 0.128 174.882 174.900 -0.243 0.000 1.041 77 G CA 0.372 45.212 45.100 -0.433 0.000 0.807 77 G HN 0.203 nan 8.290 nan 0.000 0.502 78 R N -1.089 119.333 120.500 -0.130 0.000 2.594 78 R HA 0.522 4.861 4.340 -0.001 0.000 0.272 78 R C -0.122 176.129 176.300 -0.082 0.000 1.074 78 R CA -0.044 56.002 56.100 -0.090 0.000 1.105 78 R CB 1.755 32.023 30.300 -0.054 0.000 1.008 78 R HN 0.352 nan 8.270 nan 0.000 0.472 79 V N 2.279 122.152 119.914 -0.068 0.000 2.524 79 V HA 0.345 4.464 4.120 -0.001 0.000 0.297 79 V C 0.486 176.559 176.094 -0.036 0.000 1.035 79 V CA -0.146 62.123 62.300 -0.051 0.000 0.867 79 V CB 1.472 33.263 31.823 -0.054 0.000 1.004 79 V HN 0.960 nan 8.190 nan 0.000 0.426 80 A N 4.920 127.725 122.820 -0.026 0.000 1.898 80 A HA 0.091 4.410 4.320 -0.001 0.000 0.216 80 A C 1.443 179.017 177.584 -0.018 0.000 1.181 80 A CA 1.525 53.550 52.037 -0.020 0.000 0.620 80 A CB -0.189 18.802 19.000 -0.014 0.000 0.819 80 A HN 1.143 nan 8.150 nan 0.000 0.442 81 S N -1.107 114.585 115.700 -0.013 0.000 2.457 81 S HA 0.537 5.007 4.470 -0.001 0.000 0.289 81 S C 1.023 175.612 174.600 -0.019 0.000 1.163 81 S CA -0.039 58.154 58.200 -0.013 0.000 1.078 81 S CB 1.336 64.534 63.200 -0.004 0.000 0.987 81 S HN 0.735 nan 8.310 nan 0.000 0.482 82 A N 5.497 128.302 122.820 -0.026 0.000 1.933 82 A HA 0.013 4.333 4.320 -0.001 0.000 0.218 82 A C 1.971 179.529 177.584 -0.043 0.000 1.175 82 A CA 1.239 53.254 52.037 -0.037 0.000 0.628 82 A CB -0.731 18.246 19.000 -0.038 0.000 0.814 82 A HN 0.883 nan 8.150 nan 0.000 0.444 83 L N -0.643 120.558 121.223 -0.037 0.000 2.046 83 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 83 L C 2.526 179.367 176.870 -0.049 0.000 1.077 83 L CA 1.193 56.005 54.840 -0.047 0.000 0.747 83 L CB -0.641 41.397 42.059 -0.035 0.000 0.896 83 L HN 0.263 nan 8.230 nan 0.000 0.432 84 V N 0.030 119.938 119.914 -0.010 0.000 2.307 84 V HA -0.259 3.860 4.120 -0.001 0.000 0.245 84 V C 2.778 178.920 176.094 0.080 0.000 1.045 84 V CA 1.756 64.086 62.300 0.050 0.000 1.024 84 V CB -0.901 30.969 31.823 0.078 0.000 0.651 84 V HN 0.466 nan 8.190 nan 0.000 0.449 85 A N 0.230 123.064 122.820 0.022 0.000 1.883 85 A HA -0.253 4.067 4.320 -0.001 0.000 0.217 85 A C 2.368 179.928 177.584 -0.039 0.000 1.186 85 A CA 2.098 54.136 52.037 0.002 0.000 0.624 85 A CB -0.484 18.489 19.000 -0.045 0.000 0.822 85 A HN 0.547 nan 8.150 nan 0.000 0.444 86 R N -0.669 119.774 120.500 -0.095 0.000 2.119 86 R HA -0.052 4.287 4.340 -0.001 0.000 0.222 86 R C 2.375 178.513 176.300 -0.270 0.000 1.088 86 R CA 1.152 57.146 56.100 -0.177 0.000 0.984 86 R CB -0.287 29.920 30.300 -0.156 0.000 0.884 86 R HN 0.750 nan 8.270 nan 0.000 0.447 87 R N 0.274 120.629 120.500 -0.242 0.000 2.189 87 R HA -0.069 4.271 4.340 -0.001 0.000 0.223 87 R C 0.635 176.710 176.300 -0.374 0.000 1.092 87 R CA 1.300 57.197 56.100 -0.339 0.000 0.989 87 R CB -0.105 29.990 30.300 -0.341 0.000 0.876 87 R HN 0.325 nan 8.270 nan 0.000 0.457 88 H N -0.322 118.748 119.070 0.000 0.000 2.520 88 H HA 0.083 4.639 4.556 -0.001 0.000 0.284 88 H C -0.356 175.171 175.328 0.331 0.000 1.037 88 H CA -0.187 55.961 56.048 0.167 0.000 1.168 88 H CB -0.043 29.796 29.762 0.127 0.000 1.497 88 H HN 0.211 nan 8.280 nan 0.000 0.547 89 Y N 0.855 121.243 120.300 0.148 0.000 3.978 89 Y HA -0.372 4.178 4.550 -0.001 0.000 0.219 89 Y C 0.762 176.532 175.900 -0.217 0.000 1.153 89 Y CA 0.881 59.010 58.100 0.048 0.000 1.718 89 Y CB -2.019 36.596 38.460 0.259 0.000 1.541 89 Y HN 0.335 nan 8.280 nan 0.000 0.640 90 R N -3.819 116.646 120.500 -0.058 0.000 3.951 90 R HA -0.230 4.109 4.340 -0.001 0.000 0.352 90 R C -0.722 175.424 176.300 -0.258 0.000 1.178 90 R CA 1.099 57.090 56.100 -0.182 0.000 0.949 90 R CB -2.287 27.853 30.300 -0.267 0.000 1.452 90 R HN 0.280 nan 8.270 nan 0.000 0.540 91 F N 0.662 120.645 119.950 0.055 0.000 2.390 91 F HA 0.241 4.767 4.527 -0.001 0.000 0.361 91 F C 1.730 177.498 175.800 -0.053 0.000 1.124 91 F CA -0.581 57.424 58.000 0.009 0.000 1.149 91 F CB 0.698 39.719 39.000 0.035 0.000 1.160 91 F HN -0.088 nan 8.300 nan 0.000 0.501 92 I N 1.109 121.696 120.570 0.028 0.000 4.244 92 I HA 0.006 4.175 4.170 -0.001 0.000 0.318 92 I C 1.620 177.662 176.117 -0.124 0.000 1.282 92 I CA 0.423 61.655 61.300 -0.114 0.000 1.276 92 I CB -0.866 36.998 38.000 -0.228 0.000 1.183 92 I HN 0.642 nan 8.210 nan 0.000 0.431 93 H N 1.616 120.686 119.070 -0.001 0.000 2.559 93 H HA 0.241 4.797 4.556 -0.001 0.000 0.273 93 H C 1.391 176.703 175.328 -0.026 0.000 1.000 93 H CA 0.617 56.652 56.048 -0.022 0.000 1.195 93 H CB 0.098 29.841 29.762 -0.030 0.000 1.368 93 H HN 0.448 nan 8.280 nan 0.000 0.592 94 G N 0.870 109.714 108.800 0.073 0.000 2.750 94 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.228 94 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.228 94 G C -0.142 174.754 174.900 -0.007 0.000 1.367 94 G CA -0.145 44.960 45.100 0.009 0.000 0.871 94 G HN 0.432 nan 8.290 nan 0.000 0.560 95 I N -1.829 118.708 120.570 -0.054 0.000 2.693 95 I HA 0.902 5.072 4.170 -0.001 0.000 0.303 95 I C 0.794 176.853 176.117 -0.096 0.000 1.025 95 I CA -0.523 60.727 61.300 -0.083 0.000 1.086 95 I CB 1.814 39.742 38.000 -0.120 0.000 1.268 95 I HN 1.109 nan 8.210 nan 0.000 0.440 96 G N 2.994 111.734 108.800 -0.100 0.000 2.736 96 G HA2 0.443 4.403 3.960 -0.001 0.000 0.229 96 G HA3 0.443 4.403 3.960 -0.001 0.000 0.229 96 G C -0.575 174.231 174.900 -0.157 0.000 1.380 96 G CA -0.933 44.102 45.100 -0.108 0.000 1.040 96 G HN 0.874 nan 8.290 nan 0.000 0.568 106 P HA 0.195 nan 4.420 nan 0.000 0.275 106 P C -0.437 176.819 177.300 -0.074 0.000 1.228 106 P CA -0.026 63.048 63.100 -0.043 0.000 0.786 106 P CB 1.868 33.554 31.700 -0.022 0.000 0.927 107 K N 1.244 121.550 120.400 -0.156 0.000 2.243 107 K HA 0.167 4.486 4.320 -0.001 0.000 0.201 107 K C 0.562 176.971 176.600 -0.318 0.000 1.051 107 K CA 0.659 56.776 56.287 -0.284 0.000 0.970 107 K CB 0.033 32.268 32.500 -0.440 0.000 0.755 107 K HN 0.540 nan 8.250 nan 0.000 0.465 108 A N 0.123 122.825 122.820 -0.196 0.000 3.216 108 A HA 0.596 4.916 4.320 -0.001 0.000 0.321 108 A C 0.492 178.076 177.584 0.001 0.000 1.042 108 A CA -0.122 51.872 52.037 -0.072 0.000 0.838 108 A CB 0.617 19.611 19.000 -0.011 0.000 1.136 108 A HN 0.237 nan 8.150 nan 0.000 0.483 109 A N 0.577 123.414 122.820 0.027 0.000 1.940 109 A HA 0.058 4.378 4.320 -0.001 0.000 0.219 109 A C 2.154 179.782 177.584 0.073 0.000 1.176 109 A CA 2.473 54.543 52.037 0.055 0.000 0.631 109 A CB -0.704 18.351 19.000 0.093 0.000 0.814 109 A HN 1.209 nan 8.150 nan 0.000 0.446 110 G N -1.094 107.773 108.800 0.112 0.000 2.402 110 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.216 110 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.216 110 G C 1.811 176.805 174.900 0.158 0.000 1.162 110 G CA 1.207 46.402 45.100 0.157 0.000 0.777 110 G HN 0.492 nan 8.290 nan 0.000 0.539 111 S N 0.383 116.182 115.700 0.164 0.000 2.383 111 S HA -0.117 4.353 4.470 -0.001 0.000 0.227 111 S C 2.556 177.136 174.600 -0.032 0.000 1.026 111 S CA 1.318 59.549 58.200 0.051 0.000 0.981 111 S CB -0.285 62.974 63.200 0.097 0.000 0.818 111 S HN 0.428 nan 8.310 nan 0.000 0.472 112 S N 1.368 117.063 115.700 -0.009 0.000 2.353 112 S HA -0.111 4.358 4.470 -0.001 0.000 0.222 112 S C 1.863 176.445 174.600 -0.031 0.000 1.035 112 S CA 1.160 59.342 58.200 -0.030 0.000 1.025 112 S CB -0.503 62.685 63.200 -0.020 0.000 0.902 112 S HN 0.332 nan 8.310 nan 0.000 0.440 113 L N 2.094 123.314 121.223 -0.005 0.000 2.042 113 L HA -0.005 4.335 4.340 -0.001 0.000 0.210 113 L C 2.261 179.123 176.870 -0.014 0.000 1.076 113 L CA 1.607 56.453 54.840 0.010 0.000 0.749 113 L CB -1.003 41.082 42.059 0.043 0.000 0.893 113 L HN 0.411 nan 8.230 nan 0.000 0.432 114 L N -0.136 121.043 121.223 -0.074 0.000 1.990 114 L HA -0.300 4.039 4.340 -0.001 0.000 0.213 114 L C 2.356 179.146 176.870 -0.132 0.000 1.072 114 L CA 2.410 57.156 54.840 -0.158 0.000 0.755 114 L CB -1.404 40.434 42.059 -0.369 0.000 0.889 114 L HN 0.480 nan 8.230 nan 0.000 0.432 115 N N 0.491 119.116 118.700 -0.126 0.000 2.069 115 N HA -0.263 4.477 4.740 -0.001 0.000 0.191 115 N C 1.934 177.392 175.510 -0.087 0.000 1.031 115 N CA 2.058 55.039 53.050 -0.114 0.000 0.852 115 N CB -0.203 38.220 38.487 -0.106 0.000 1.018 115 N HN 0.372 nan 8.380 nan 0.000 0.423 116 K N -0.117 120.245 120.400 -0.064 0.000 2.026 116 K HA -0.042 4.278 4.320 -0.001 0.000 0.208 116 K C 1.797 178.371 176.600 -0.044 0.000 1.048 116 K CA 1.068 57.326 56.287 -0.047 0.000 0.929 116 K CB -0.058 32.425 32.500 -0.027 0.000 0.713 116 K HN 0.146 nan 8.250 nan 0.000 0.439 117 I N 1.185 121.739 120.570 -0.028 0.000 2.439 117 I HA -0.168 4.001 4.170 -0.001 0.000 0.251 117 I C 2.036 178.106 176.117 -0.079 0.000 1.139 117 I CA 1.231 62.515 61.300 -0.026 0.000 1.438 117 I CB -1.262 36.766 38.000 0.047 0.000 1.085 117 I HN 0.245 nan 8.210 nan 0.000 0.427 118 T N 1.599 116.093 114.554 -0.100 0.000 2.708 118 T HA -0.122 4.227 4.350 -0.001 0.000 0.266 118 T C 1.734 176.342 174.700 -0.154 0.000 1.037 118 T CA 1.381 63.391 62.100 -0.151 0.000 1.146 118 T CB -0.226 68.541 68.868 -0.168 0.000 0.865 118 T HN 0.274 nan 8.240 nan 0.000 0.435 119 N N 1.120 119.750 118.700 -0.117 0.000 2.166 119 N HA -0.024 4.716 4.740 -0.001 0.000 0.186 119 N C 2.156 177.606 175.510 -0.099 0.000 1.019 119 N CA 0.911 53.900 53.050 -0.102 0.000 0.856 119 N CB -0.492 37.961 38.487 -0.058 0.000 0.993 119 N HN 0.255 nan 8.380 nan 0.000 0.426 120 S N 1.056 116.705 115.700 -0.085 0.000 2.368 120 S HA 0.040 4.510 4.470 -0.001 0.000 0.224 120 S C 2.112 176.656 174.600 -0.094 0.000 1.029 120 S CA 0.562 58.718 58.200 -0.074 0.000 0.988 120 S CB -0.202 62.964 63.200 -0.056 0.000 0.838 120 S HN 0.239 nan 8.310 nan 0.000 0.462 121 L N 0.981 122.128 121.223 -0.127 0.000 2.017 121 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 121 L C 2.356 179.124 176.870 -0.171 0.000 1.073 121 L CA 0.963 55.708 54.840 -0.159 0.000 0.745 121 L CB -0.698 41.233 42.059 -0.212 0.000 0.894 121 L HN 0.199 nan 8.230 nan 0.000 0.432 122 V N -0.162 119.632 119.914 -0.201 0.000 2.343 122 V HA -0.289 3.830 4.120 -0.001 0.000 0.247 122 V C 2.389 178.412 176.094 -0.119 0.000 1.051 122 V CA 1.591 63.764 62.300 -0.212 0.000 1.036 122 V CB -0.361 31.308 31.823 -0.256 0.000 0.654 122 V HN 0.310 nan 8.190 nan 0.000 0.451 123 L N 0.675 121.837 121.223 -0.101 0.000 2.042 123 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 123 L C 2.275 179.124 176.870 -0.035 0.000 1.076 123 L CA 2.022 56.823 54.840 -0.065 0.000 0.749 123 L CB -0.785 41.240 42.059 -0.056 0.000 0.893 123 L HN 0.330 nan 8.230 nan 0.000 0.432 124 N N -0.807 117.869 118.700 -0.041 0.000 2.188 124 N HA -0.133 4.606 4.740 -0.001 0.000 0.184 124 N C 1.827 177.333 175.510 -0.006 0.000 1.018 124 N CA 1.634 54.673 53.050 -0.018 0.000 0.858 124 N CB -0.223 38.248 38.487 -0.027 0.000 0.989 124 N HN 0.284 nan 8.380 nan 0.000 0.426 125 V N 1.851 121.750 119.914 -0.026 0.000 2.427 125 V HA -0.125 3.995 4.120 -0.001 0.000 0.248 125 V C 2.295 178.424 176.094 0.060 0.000 1.051 125 V CA 0.905 63.212 62.300 0.012 0.000 1.048 125 V CB -0.314 31.480 31.823 -0.048 0.000 0.666 125 V HN 0.212 nan 8.190 nan 0.000 0.456 126 I N -0.237 120.361 120.570 0.047 0.000 2.208 126 I HA -0.293 3.877 4.170 -0.001 0.000 0.245 126 I C 2.553 178.661 176.117 -0.015 0.000 1.097 126 I CA 1.705 63.045 61.300 0.066 0.000 1.363 126 I CB -0.400 37.654 38.000 0.089 0.000 1.051 126 I HN 0.306 nan 8.210 nan 0.000 0.413 127 K N 0.679 121.053 120.400 -0.044 0.000 2.002 127 K HA -0.201 4.119 4.320 -0.001 0.000 0.209 127 K C 2.187 178.624 176.600 -0.271 0.000 1.048 127 K CA 1.400 57.588 56.287 -0.164 0.000 0.930 127 K CB -0.442 32.061 32.500 0.005 0.000 0.714 127 K HN 0.281 nan 8.250 nan 0.000 0.438 128 L N 0.900 122.101 121.223 -0.037 0.000 2.043 128 L HA -0.239 4.100 4.340 -0.001 0.000 0.212 128 L C 2.283 179.167 176.870 0.023 0.000 1.075 128 L CA 1.717 56.587 54.840 0.050 0.000 0.752 128 L CB -0.333 41.795 42.059 0.115 0.000 0.891 128 L HN 0.183 nan 8.230 nan 0.000 0.432 129 A N -1.218 121.615 122.820 0.022 0.000 2.119 129 A HA 0.165 4.484 4.320 -0.001 0.000 0.217 129 A C 1.713 179.274 177.584 -0.038 0.000 1.153 129 A CA 1.136 53.195 52.037 0.037 0.000 0.692 129 A CB -0.412 18.648 19.000 0.099 0.000 0.799 129 A HN 0.776 nan 8.150 nan 0.000 0.458 130 G N -2.880 105.819 108.800 -0.169 0.000 2.370 130 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.174 130 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.174 130 G C -0.005 174.796 174.900 -0.163 0.000 1.002 130 G CA 0.001 45.012 45.100 -0.149 0.000 0.730 130 G HN 0.653 nan 8.290 nan 0.000 0.497 131 V N 2.438 122.230 119.914 -0.202 0.000 2.217 131 V HA 0.340 4.460 4.120 -0.001 0.000 0.264 131 V C 1.359 177.421 176.094 -0.052 0.000 1.107 131 V CA -0.253 62.005 62.300 -0.070 0.000 0.913 131 V CB -0.033 31.755 31.823 -0.059 0.000 1.153 131 V HN 0.416 nan 8.190 nan 0.000 0.469 132 H N 1.285 120.423 119.070 0.113 0.000 2.491 132 H HA -0.100 4.456 4.556 -0.001 0.000 0.290 132 H C 2.186 177.593 175.328 0.132 0.000 1.050 132 H CA 1.555 57.667 56.048 0.106 0.000 1.309 132 H CB 0.255 30.066 29.762 0.082 0.000 1.392 132 H HN 0.701 nan 8.280 nan 0.000 0.554 133 S N 0.126 115.994 115.700 0.279 0.000 2.577 133 S HA 0.086 4.555 4.470 -0.001 0.000 0.219 133 S C 0.695 175.521 174.600 0.377 0.000 0.962 133 S CA -0.440 57.939 58.200 0.299 0.000 0.921 133 S CB -0.357 63.004 63.200 0.267 0.000 0.789 133 S HN 0.136 nan 8.310 nan 0.000 0.497 134 V N 1.950 122.018 119.914 0.255 0.000 2.720 134 V HA 0.384 4.503 4.120 -0.001 0.000 0.307 134 V C 1.210 177.329 176.094 0.041 0.000 1.071 134 V CA 0.809 63.131 62.300 0.037 0.000 1.199 134 V CB 0.544 32.390 31.823 0.038 0.000 0.900 134 V HN 0.533 nan 8.190 nan 0.000 0.494 135 A N 4.952 127.759 122.820 -0.022 0.000 1.993 135 A HA 0.475 4.794 4.320 -0.001 0.000 0.207 135 A C 1.054 178.628 177.584 -0.016 0.000 1.224 135 A CA 0.849 52.905 52.037 0.031 0.000 0.749 135 A CB 0.235 19.286 19.000 0.085 0.000 0.884 135 A HN 1.048 nan 8.150 nan 0.000 0.467 136 S N -1.830 113.823 115.700 -0.078 0.000 2.537 136 S HA 0.542 5.011 4.470 -0.001 0.000 0.271 136 S C -1.063 173.453 174.600 -0.140 0.000 1.148 136 S CA -0.101 58.057 58.200 -0.069 0.000 0.868 136 S CB 1.152 64.335 63.200 -0.028 0.000 1.115 136 S HN 1.402 nan 8.310 nan 0.000 0.461 137 C N 2.259 121.503 119.300 -0.095 0.000 3.311 137 C HA 1.007 5.467 4.460 -0.001 0.000 0.325 137 C C -1.767 173.224 174.990 0.002 0.000 1.352 137 C CA -1.115 57.804 59.018 -0.165 0.000 1.308 137 C CB 0.230 27.811 27.740 -0.265 0.000 1.619 137 C HN 1.168 nan 8.230 nan 0.000 0.469 138 F N -0.468 119.351 119.950 -0.218 0.000 2.641 138 F HA 0.760 5.286 4.527 -0.001 0.000 0.308 138 F C -1.048 174.634 175.800 -0.198 0.000 1.105 138 F CA -1.221 56.661 58.000 -0.197 0.000 0.964 138 F CB 0.768 39.654 39.000 -0.189 0.000 1.294 138 F HN 0.559 nan 8.300 nan 0.000 0.442 139 V N 3.316 123.194 119.914 -0.060 0.000 2.555 139 V HA 0.425 4.544 4.120 -0.001 0.000 0.286 139 V C -0.308 175.771 176.094 -0.024 0.000 1.044 139 V CA -0.466 61.756 62.300 -0.131 0.000 1.026 139 V CB 1.164 32.907 31.823 -0.134 0.000 0.981 139 V HN 0.776 nan 8.190 nan 0.000 0.480 140 V N 7.543 127.397 119.914 -0.100 0.000 2.540 140 V HA 0.586 4.706 4.120 -0.001 0.000 0.302 140 V C -2.144 173.913 176.094 -0.062 0.000 1.035 140 V CA -2.106 60.166 62.300 -0.047 0.000 0.873 140 V CB 2.635 34.472 31.823 0.023 0.000 0.992 140 V HN 0.836 nan 8.190 nan 0.000 0.428 141 P HA 0.285 nan 4.420 nan 0.000 0.218 141 P C -0.603 176.714 177.300 0.028 0.000 1.793 141 P CA 0.120 63.203 63.100 -0.028 0.000 0.941 141 P CB -0.296 31.379 31.700 -0.042 0.000 1.919 142 M N 0.063 119.685 119.600 0.035 0.000 2.619 142 M HA 0.644 5.124 4.480 -0.001 0.000 0.297 142 M C 0.352 176.669 176.300 0.029 0.000 1.229 142 M CA -1.067 54.266 55.300 0.056 0.000 0.860 142 M CB 2.710 35.366 32.600 0.094 0.000 1.741 142 M HN -0.082 nan 8.290 nan 0.000 0.462 143 A N 0.642 123.485 122.820 0.038 0.000 2.251 143 A HA 0.378 4.697 4.320 -0.001 0.000 0.278 143 A C 1.020 178.622 177.584 0.029 0.000 1.206 143 A CA -0.092 51.967 52.037 0.037 0.000 0.822 143 A CB -0.098 18.932 19.000 0.051 0.000 1.187 143 A HN 0.902 nan 8.150 nan 0.000 0.504 144 T N 0.249 114.828 114.554 0.041 0.000 2.821 144 T HA -0.051 4.299 4.350 -0.001 0.000 0.267 144 T C 2.000 176.722 174.700 0.038 0.000 1.046 144 T CA 1.829 63.950 62.100 0.034 0.000 1.139 144 T CB -0.613 68.296 68.868 0.068 0.000 0.871 144 T HN 0.880 nan 8.240 nan 0.000 0.454 145 G N 1.833 110.677 108.800 0.072 0.000 2.514 145 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.217 145 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.217 145 G C 1.525 176.447 174.900 0.037 0.000 1.198 145 G CA 0.814 45.966 45.100 0.085 0.000 0.780 145 G HN 0.276 nan 8.290 nan 0.000 0.565 146 M N 1.124 120.744 119.600 0.033 0.000 2.213 146 M HA 0.009 4.488 4.480 -0.001 0.000 0.263 146 M C 2.748 179.037 176.300 -0.019 0.000 1.062 146 M CA 0.907 56.218 55.300 0.019 0.000 1.105 146 M CB -0.886 31.738 32.600 0.040 0.000 1.385 146 M HN 0.204 nan 8.290 nan 0.000 0.417 147 S N 0.826 116.503 115.700 -0.037 0.000 2.368 147 S HA -0.057 4.413 4.470 -0.001 0.000 0.224 147 S C 1.985 176.462 174.600 -0.205 0.000 1.029 147 S CA 0.949 59.095 58.200 -0.090 0.000 0.988 147 S CB -0.263 62.876 63.200 -0.102 0.000 0.838 147 S HN 0.415 nan 8.310 nan 0.000 0.462 148 L N 1.058 122.129 121.223 -0.252 0.000 2.017 148 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 148 L C 2.721 179.071 176.870 -0.868 0.000 1.073 148 L CA 1.259 55.749 54.840 -0.582 0.000 0.745 148 L CB -1.219 40.603 42.059 -0.396 0.000 0.894 148 L HN 0.281 nan 8.230 nan 0.000 0.432 149 T N 0.209 114.559 114.554 -0.340 0.000 2.665 149 T HA -0.255 4.094 4.350 -0.001 0.000 0.268 149 T C 1.829 176.468 174.700 -0.101 0.000 1.035 149 T CA 1.735 63.780 62.100 -0.092 0.000 1.151 149 T CB -0.344 68.548 68.868 0.041 0.000 0.862 149 T HN 0.131 nan 8.240 nan 0.000 0.438 150 L N 0.789 121.946 121.223 -0.109 0.000 2.042 150 L HA -0.086 4.254 4.340 -0.001 0.000 0.210 150 L C 2.569 179.401 176.870 -0.064 0.000 1.076 150 L CA 1.562 56.382 54.840 -0.034 0.000 0.749 150 L CB -0.905 41.173 42.059 0.032 0.000 0.893 150 L HN 0.351 nan 8.230 nan 0.000 0.432 151 C N -0.698 118.470 119.300 -0.221 0.000 2.413 151 C HA -0.194 4.265 4.460 -0.001 0.000 0.276 151 C C 2.518 177.491 174.990 -0.029 0.000 1.236 151 C CA 0.754 59.657 59.018 -0.193 0.000 1.735 151 C CB -1.406 26.116 27.740 -0.364 0.000 2.031 151 C HN 0.568 nan 8.230 nan 0.000 0.474 152 F N 1.213 121.174 119.950 0.019 0.000 2.134 152 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 152 F C 2.244 178.125 175.800 0.135 0.000 1.097 152 F CA 0.901 58.899 58.000 -0.003 0.000 1.264 152 F CB -1.555 37.433 39.000 -0.019 0.000 1.001 152 F HN 0.162 nan 8.300 nan 0.000 0.479 153 L N -0.622 120.790 121.223 0.315 0.000 2.079 153 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 153 L C 2.311 179.346 176.870 0.274 0.000 1.081 153 L CA 1.738 56.739 54.840 0.269 0.000 0.752 153 L CB -1.242 40.919 42.059 0.169 0.000 0.896 153 L HN 0.184 nan 8.230 nan 0.000 0.433 154 T N 0.061 114.752 114.554 0.229 0.000 2.812 154 T HA -0.095 4.254 4.350 -0.001 0.000 0.264 154 T C 1.978 176.863 174.700 0.309 0.000 1.042 154 T CA 0.975 63.227 62.100 0.252 0.000 1.140 154 T CB -0.191 68.754 68.868 0.129 0.000 0.870 154 T HN 0.190 nan 8.240 nan 0.000 0.445 155 L N 0.855 122.248 121.223 0.284 0.000 2.191 155 L HA -0.066 4.273 4.340 -0.001 0.000 0.212 155 L C 2.807 179.771 176.870 0.156 0.000 1.103 155 L CA 1.061 56.036 54.840 0.225 0.000 0.769 155 L CB -0.518 41.636 42.059 0.159 0.000 0.908 155 L HN 0.207 nan 8.230 nan 0.000 0.438 156 R N -0.059 120.554 120.500 0.189 0.000 2.096 156 R HA -0.243 4.096 4.340 -0.001 0.000 0.240 156 R C 2.132 178.433 176.300 0.000 0.000 1.139 156 R CA 2.136 58.336 56.100 0.166 0.000 0.952 156 R CB -0.342 30.031 30.300 0.122 0.000 0.854 156 R HN 0.420 nan 8.270 nan 0.000 0.436 157 H N -0.185 118.973 119.070 0.147 0.000 2.462 157 H HA 0.031 4.587 4.556 -0.001 0.000 0.292 157 H C 1.741 177.125 175.328 0.093 0.000 1.049 157 H CA 1.232 57.343 56.048 0.104 0.000 1.334 157 H CB 0.300 30.115 29.762 0.088 0.000 1.404 157 H HN 0.113 nan 8.280 nan 0.000 0.544 158 K N 0.555 121.073 120.400 0.198 0.000 2.167 158 K HA 0.090 4.410 4.320 -0.001 0.000 0.203 158 K C 0.396 177.044 176.600 0.080 0.000 1.052 158 K CA 0.695 57.061 56.287 0.131 0.000 0.956 158 K CB 0.433 33.006 32.500 0.122 0.000 0.735 158 K HN 0.273 nan 8.250 nan 0.000 0.451 159 R N 1.087 121.632 120.500 0.074 0.000 2.681 159 R HA 0.149 4.488 4.340 -0.001 0.000 0.277 159 R C -2.031 174.306 176.300 0.062 0.000 1.563 159 R CA -1.007 55.122 56.100 0.048 0.000 1.673 159 R CB 1.000 31.314 30.300 0.023 0.000 1.258 159 R HN -0.053 nan 8.270 nan 0.000 0.650 160 P HA -0.146 nan 4.420 nan 0.000 0.225 160 P C 0.331 177.663 177.300 0.053 0.000 1.148 160 P CA 0.999 64.126 63.100 0.046 0.000 0.779 160 P CB 0.381 32.104 31.700 0.037 0.000 0.780 161 K N -0.360 120.072 120.400 0.054 0.000 2.365 161 K HA 0.172 4.492 4.320 -0.001 0.000 0.197 161 K C 1.145 177.822 176.600 0.129 0.000 1.042 161 K CA 0.037 56.368 56.287 0.074 0.000 0.987 161 K CB 0.023 32.536 32.500 0.023 0.000 0.779 161 K HN 0.084 nan 8.250 nan 0.000 0.484 162 A N 2.112 125.003 122.820 0.117 0.000 2.363 162 A HA 0.120 4.439 4.320 -0.001 0.000 0.270 162 A C 0.656 178.348 177.584 0.180 0.000 1.121 162 A CA -0.304 51.816 52.037 0.139 0.000 0.800 162 A CB 0.335 19.374 19.000 0.065 0.000 1.052 162 A HN 0.304 nan 8.150 nan 0.000 0.493 163 K N 0.652 121.078 120.400 0.044 0.000 2.491 163 K HA 0.208 4.527 4.320 -0.001 0.000 0.211 163 K C -1.041 175.474 176.600 -0.142 0.000 1.210 163 K CA -0.040 56.193 56.287 -0.090 0.000 1.003 163 K CB 0.382 32.604 32.500 -0.464 0.000 1.009 163 K HN 0.538 nan 8.250 nan 0.000 0.577 164 Y N 1.483 121.861 120.300 0.130 0.000 2.387 164 Y HA 0.501 5.050 4.550 -0.002 0.000 0.336 164 Y C -0.116 175.743 175.900 -0.069 0.000 1.067 164 Y CA -1.317 56.807 58.100 0.039 0.000 1.114 164 Y CB 1.493 39.970 38.460 0.028 0.000 1.208 164 Y HN -0.115 nan 8.280 nan 0.000 0.458 165 I N 4.391 125.007 120.570 0.076 0.000 2.410 165 I HA 0.339 4.509 4.170 -0.001 0.000 0.286 165 I C -0.714 175.452 176.117 0.082 0.000 1.009 165 I CA -0.486 60.780 61.300 -0.058 0.000 1.111 165 I CB 1.198 39.003 38.000 -0.325 0.000 1.262 165 I HN 0.438 nan 8.210 nan 0.000 0.443 166 I N 5.391 126.023 120.570 0.104 0.000 2.416 166 I HA 0.113 4.283 4.170 -0.001 0.000 0.288 166 I C -0.973 175.304 176.117 0.266 0.000 1.051 166 I CA 0.046 61.430 61.300 0.140 0.000 1.375 166 I CB 0.769 38.801 38.000 0.053 0.000 1.407 166 I HN 0.632 nan 8.210 nan 0.000 0.516 167 W N 10.458 131.783 121.300 0.041 0.000 2.740 167 W HA 0.431 5.091 4.660 -0.001 0.000 0.316 167 W C -2.839 173.708 176.519 0.046 0.000 1.020 167 W CA -2.206 55.170 57.345 0.052 0.000 1.278 167 W CB 1.355 30.871 29.460 0.092 0.000 1.224 167 W HN 0.176 nan 8.180 nan 0.000 0.393 168 P HA -0.026 nan 4.420 nan 0.000 0.262 168 P C -0.078 176.691 177.300 -0.884 0.000 1.199 168 P CA 0.292 63.149 63.100 -0.404 0.000 0.763 168 P CB 0.450 31.992 31.700 -0.263 0.000 0.790 169 R N 3.845 123.943 120.500 -0.671 0.000 2.502 169 R HA 0.158 4.497 4.340 -0.001 0.000 0.292 169 R C -0.441 175.494 176.300 -0.608 0.000 0.998 169 R CA 0.238 55.853 56.100 -0.807 0.000 1.056 169 R CB -0.264 29.955 30.300 -0.135 0.000 0.939 169 R HN 0.380 nan 8.270 nan 0.000 0.411 170 I N 3.386 123.576 120.570 -0.634 0.000 2.533 170 I HA 0.213 4.382 4.170 -0.001 0.000 0.290 170 I C -1.436 174.847 176.117 0.276 0.000 1.056 170 I CA -0.799 60.449 61.300 -0.087 0.000 1.057 170 I CB 2.099 40.036 38.000 -0.106 0.000 1.240 170 I HN 0.581 nan 8.210 nan 0.000 0.423 171 D N 7.181 127.821 120.400 0.400 0.000 2.558 171 D HA 0.243 4.882 4.640 -0.001 0.000 0.221 171 D C -0.562 175.831 176.300 0.155 0.000 1.143 171 D CA 0.479 54.491 54.000 0.020 0.000 1.010 171 D CB 0.130 40.563 40.800 -0.611 0.000 1.068 171 D HN 0.350 nan 8.370 nan 0.000 0.511 172 Q N 1.362 121.352 119.800 0.315 0.000 2.263 172 Q HA 0.143 4.483 4.340 -0.001 0.000 0.266 172 Q C 0.329 176.548 176.000 0.366 0.000 1.002 172 Q CA -0.435 55.583 55.803 0.360 0.000 0.790 172 Q CB 1.696 30.642 28.738 0.346 0.000 1.272 172 Q HN 0.125 nan 8.270 nan 0.000 0.435 173 K N 0.887 121.482 120.400 0.324 0.000 2.103 173 K HA -0.073 4.246 4.320 -0.001 0.000 0.204 173 K C 1.663 178.440 176.600 0.295 0.000 1.052 173 K CA 1.192 57.662 56.287 0.306 0.000 0.945 173 K CB 0.243 32.886 32.500 0.238 0.000 0.722 173 K HN 0.463 nan 8.250 nan 0.000 0.443 174 S N 1.098 116.949 115.700 0.252 0.000 2.356 174 S HA -0.165 4.304 4.470 -0.001 0.000 0.223 174 S C 2.426 177.167 174.600 0.234 0.000 1.032 174 S CA 1.605 59.931 58.200 0.210 0.000 1.005 174 S CB -0.418 62.888 63.200 0.176 0.000 0.867 174 S HN 0.582 nan 8.310 nan 0.000 0.449 175 C N 0.206 119.685 119.300 0.297 0.000 2.435 175 C HA 0.125 4.585 4.460 -0.001 0.000 0.279 175 C C 2.262 177.415 174.990 0.272 0.000 1.321 175 C CA 0.378 59.617 59.018 0.368 0.000 1.752 175 C CB -2.079 25.933 27.740 0.453 0.000 1.959 175 C HN 0.585 nan 8.230 nan 0.000 0.500 176 F N 2.560 122.543 119.950 0.054 0.000 2.113 176 F HA 0.031 4.557 4.527 -0.002 0.000 0.297 176 F C 2.474 178.219 175.800 -0.093 0.000 1.103 176 F CA 1.894 59.740 58.000 -0.257 0.000 1.248 176 F CB -0.448 38.480 39.000 -0.119 0.000 0.999 176 F HN 0.072 nan 8.300 nan 0.000 0.475 177 K N 0.158 120.608 120.400 0.083 0.000 2.280 177 K HA -0.142 4.177 4.320 -0.001 0.000 0.202 177 K C 2.290 178.882 176.600 -0.014 0.000 1.047 177 K CA 1.258 57.550 56.287 0.010 0.000 0.942 177 K CB -0.367 32.209 32.500 0.127 0.000 0.739 177 K HN 0.420 nan 8.250 nan 0.000 0.457 178 S N 1.104 116.845 115.700 0.068 0.000 2.387 178 S HA -0.226 4.243 4.470 -0.001 0.000 0.230 178 S C 2.009 176.738 174.600 0.216 0.000 1.035 178 S CA 1.328 59.624 58.200 0.160 0.000 1.014 178 S CB -0.302 63.039 63.200 0.236 0.000 0.836 178 S HN 0.220 nan 8.310 nan 0.000 0.466 179 M N 0.701 120.311 119.600 0.018 0.000 2.156 179 M HA -0.001 4.479 4.480 -0.001 0.000 0.264 179 M C 2.331 178.561 176.300 -0.116 0.000 1.067 179 M CA 1.261 56.456 55.300 -0.174 0.000 1.131 179 M CB -0.549 31.772 32.600 -0.465 0.000 1.368 179 M HN 0.245 nan 8.290 nan 0.000 0.416 180 V N -0.102 119.684 119.914 -0.214 0.000 2.323 180 V HA -0.203 3.916 4.120 -0.001 0.000 0.244 180 V C 2.329 178.383 176.094 -0.066 0.000 1.041 180 V CA 2.138 64.344 62.300 -0.157 0.000 1.025 180 V CB -1.100 30.616 31.823 -0.177 0.000 0.656 180 V HN 0.477 nan 8.190 nan 0.000 0.451 181 T N 0.853 115.395 114.554 -0.020 0.000 2.699 181 T HA -0.214 4.135 4.350 -0.001 0.000 0.268 181 T C 1.970 176.685 174.700 0.025 0.000 1.036 181 T CA 1.741 63.847 62.100 0.011 0.000 1.147 181 T CB -0.463 68.428 68.868 0.039 0.000 0.862 181 T HN 0.569 nan 8.240 nan 0.000 0.446 182 A N 0.356 123.239 122.820 0.106 0.000 2.121 182 A HA 0.382 4.701 4.320 -0.001 0.000 0.218 182 A C 1.958 179.510 177.584 -0.053 0.000 1.154 182 A CA 1.306 53.449 52.037 0.177 0.000 0.679 182 A CB -0.821 18.484 19.000 0.507 0.000 0.795 182 A HN 0.916 nan 8.150 nan 0.000 0.458 183 G N -2.927 105.773 108.800 -0.166 0.000 2.131 183 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.201 183 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.201 183 G C -0.157 174.348 174.900 -0.660 0.000 1.000 183 G CA 0.034 44.897 45.100 -0.395 0.000 0.680 183 G HN 0.317 nan 8.290 nan 0.000 0.514 184 F N 0.267 120.126 119.950 -0.152 0.000 2.541 184 F HA 0.631 5.158 4.527 -0.001 0.000 0.331 184 F C 0.706 176.387 175.800 -0.198 0.000 1.057 184 F CA -1.065 56.817 58.000 -0.196 0.000 0.975 184 F CB 1.295 40.148 39.000 -0.244 0.000 1.246 184 F HN -0.013 nan 8.300 nan 0.000 0.484 185 E N 2.720 122.939 120.200 0.031 0.000 2.046 185 E HA 0.265 4.614 4.350 -0.001 0.000 0.279 185 E C -2.450 174.197 176.600 0.078 0.000 0.989 185 E CA -2.022 54.398 56.400 0.032 0.000 0.798 185 E CB 0.737 30.477 29.700 0.066 0.000 1.086 185 E HN 0.103 nan 8.360 nan 0.000 0.399 186 P HA -0.021 nan 4.420 nan 0.000 0.268 186 P C -0.753 176.615 177.300 0.114 0.000 1.204 186 P CA -0.110 62.959 63.100 -0.053 0.000 0.768 186 P CB 0.672 32.184 31.700 -0.313 0.000 0.842 187 V N 5.189 125.197 119.914 0.157 0.000 2.293 187 V HA 0.118 4.238 4.120 -0.001 0.000 0.275 187 V C 0.202 176.417 176.094 0.202 0.000 1.021 187 V CA -0.653 61.725 62.300 0.130 0.000 0.815 187 V CB 1.474 33.323 31.823 0.043 0.000 1.025 187 V HN 0.244 nan 8.190 nan 0.000 0.448 188 V N 6.507 126.531 119.914 0.183 0.000 2.427 188 V HA 0.279 4.398 4.120 -0.001 0.000 0.268 188 V C 0.265 176.441 176.094 0.136 0.000 1.046 188 V CA -0.204 62.253 62.300 0.262 0.000 0.970 188 V CB 0.932 32.777 31.823 0.036 0.000 1.001 188 V HN 0.542 nan 8.190 nan 0.000 0.476 189 I N 4.931 125.559 120.570 0.097 0.000 2.304 189 I HA 0.353 4.522 4.170 -0.001 0.000 0.291 189 I C 0.631 176.746 176.117 -0.003 0.000 1.018 189 I CA -0.622 60.693 61.300 0.025 0.000 1.260 189 I CB 0.958 38.954 38.000 -0.007 0.000 1.390 189 I HN 0.559 nan 8.210 nan 0.000 0.475 190 E N 5.159 125.376 120.200 0.028 0.000 2.404 190 E HA 0.159 4.509 4.350 -0.001 0.000 0.261 190 E C -0.109 176.497 176.600 0.010 0.000 1.074 190 E CA -0.246 56.177 56.400 0.039 0.000 0.917 190 E CB 0.879 30.619 29.700 0.067 0.000 0.965 190 E HN 0.395 nan 8.360 nan 0.000 0.433 191 N N 0.252 118.963 118.700 0.019 0.000 2.463 191 N HA 0.174 4.914 4.740 -0.001 0.000 0.270 191 N C -0.574 174.954 175.510 0.030 0.000 1.205 191 N CA -0.434 52.620 53.050 0.007 0.000 0.974 191 N CB 1.420 39.913 38.487 0.011 0.000 1.197 191 N HN 0.167 nan 8.380 nan 0.000 0.504 192 V N 1.648 121.573 119.914 0.018 0.000 2.435 192 V HA 0.301 4.421 4.120 -0.001 0.000 0.290 192 V C -0.573 175.547 176.094 0.043 0.000 1.030 192 V CA -0.870 61.445 62.300 0.026 0.000 0.881 192 V CB 1.396 33.224 31.823 0.008 0.000 0.983 192 V HN 0.449 nan 8.190 nan 0.000 0.445 193 L N 6.860 128.115 121.223 0.055 0.000 2.369 193 L HA 0.451 4.791 4.340 -0.001 0.000 0.279 193 L C 0.048 176.942 176.870 0.041 0.000 1.108 193 L CA 0.777 55.657 54.840 0.068 0.000 0.852 193 L CB 0.409 42.496 42.059 0.046 0.000 1.169 193 L HN 0.747 nan 8.230 nan 0.000 0.452 194 E N 4.738 124.967 120.200 0.049 0.000 2.255 194 E HA 0.517 4.867 4.350 -0.001 0.000 0.245 194 E C 0.622 177.252 176.600 0.051 0.000 0.909 194 E CA 0.035 56.457 56.400 0.037 0.000 0.747 194 E CB 0.952 30.668 29.700 0.026 0.000 1.215 194 E HN 0.928 nan 8.360 nan 0.000 0.424 195 G N 4.014 112.835 108.800 0.035 0.000 2.574 195 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.301 195 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.301 195 G C 0.480 175.405 174.900 0.042 0.000 1.166 195 G CA 0.486 45.607 45.100 0.034 0.000 0.971 195 G HN 0.574 nan 8.290 nan 0.000 0.542 196 D N 2.002 122.446 120.400 0.073 0.000 2.392 196 D HA 0.199 4.838 4.640 -0.001 0.000 0.206 196 D C 1.032 177.451 176.300 0.197 0.000 1.046 196 D CA 0.501 54.579 54.000 0.130 0.000 0.865 196 D CB 0.280 41.144 40.800 0.107 0.000 0.969 196 D HN 0.638 nan 8.370 nan 0.000 0.509 197 E N 0.563 120.842 120.200 0.131 0.000 2.343 197 E HA 0.353 4.703 4.350 -0.001 0.000 0.269 197 E C -0.172 176.499 176.600 0.117 0.000 1.047 197 E CA -0.294 56.171 56.400 0.108 0.000 0.874 197 E CB 1.760 31.521 29.700 0.102 0.000 1.033 197 E HN 0.003 nan 8.360 nan 0.000 0.409 198 L N 3.620 124.891 121.223 0.080 0.000 2.272 198 L HA 0.438 4.778 4.340 -0.001 0.000 0.289 198 L C 0.254 177.123 176.870 -0.002 0.000 1.032 198 L CA -0.317 54.562 54.840 0.065 0.000 0.810 198 L CB 0.719 42.825 42.059 0.078 0.000 1.205 198 L HN 0.343 nan 8.230 nan 0.000 0.422 199 R N 1.150 121.644 120.500 -0.010 0.000 2.912 199 R HA 0.520 4.859 4.340 -0.001 0.000 0.262 199 R C -0.700 175.566 176.300 -0.056 0.000 1.057 199 R CA -1.050 55.020 56.100 -0.049 0.000 0.981 199 R CB 1.709 31.974 30.300 -0.059 0.000 1.201 199 R HN 0.397 nan 8.270 nan 0.000 0.484 200 T N 1.263 115.772 114.554 -0.075 0.000 2.871 200 T HA -0.061 4.288 4.350 -0.001 0.000 0.296 200 T C 0.006 174.675 174.700 -0.053 0.000 0.998 200 T CA 0.281 62.338 62.100 -0.073 0.000 1.162 200 T CB 0.096 68.919 68.868 -0.075 0.000 0.947 200 T HN 0.335 nan 8.240 nan 0.000 0.536 201 D N 3.317 123.690 120.400 -0.045 0.000 2.453 201 D HA 0.158 4.797 4.640 -0.001 0.000 0.223 201 D C 1.073 177.353 176.300 -0.033 0.000 1.183 201 D CA -0.300 53.682 54.000 -0.031 0.000 0.933 201 D CB 0.107 40.895 40.800 -0.019 0.000 1.038 201 D HN 0.468 nan 8.370 nan 0.000 0.513 202 L N 2.825 124.029 121.223 -0.032 0.000 2.093 202 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 202 L C 2.398 179.255 176.870 -0.021 0.000 1.085 202 L CA 0.708 55.529 54.840 -0.030 0.000 0.755 202 L CB -0.141 41.901 42.059 -0.027 0.000 0.904 202 L HN 0.210 nan 8.230 nan 0.000 0.435 203 K N 0.290 120.681 120.400 -0.016 0.000 2.057 203 K HA -0.076 4.244 4.320 -0.001 0.000 0.206 203 K C 2.206 178.794 176.600 -0.019 0.000 1.050 203 K CA 1.420 57.701 56.287 -0.011 0.000 0.935 203 K CB -0.388 32.108 32.500 -0.006 0.000 0.715 203 K HN 0.262 nan 8.250 nan 0.000 0.439 204 A N 1.328 124.135 122.820 -0.021 0.000 1.933 204 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 204 A C 2.531 180.092 177.584 -0.039 0.000 1.175 204 A CA 1.374 53.397 52.037 -0.024 0.000 0.628 204 A CB -0.665 18.326 19.000 -0.016 0.000 0.814 204 A HN 0.045 nan 8.150 nan 0.000 0.444 205 V N 0.171 120.060 119.914 -0.042 0.000 2.255 205 V HA -0.314 3.806 4.120 -0.001 0.000 0.247 205 V C 2.451 178.491 176.094 -0.091 0.000 1.051 205 V CA 2.478 64.743 62.300 -0.058 0.000 1.018 205 V CB -0.879 30.911 31.823 -0.056 0.000 0.641 205 V HN 0.663 nan 8.190 nan 0.000 0.445 206 E N 0.064 120.220 120.200 -0.073 0.000 2.077 206 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 206 E C 2.304 178.834 176.600 -0.116 0.000 0.989 206 E CA 1.281 57.625 56.400 -0.094 0.000 0.800 206 E CB -0.372 29.332 29.700 0.006 0.000 0.746 206 E HN 0.606 nan 8.360 nan 0.000 0.452 207 A N 1.554 124.332 122.820 -0.069 0.000 1.933 207 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 207 A C 2.003 179.533 177.584 -0.090 0.000 1.175 207 A CA 1.246 53.246 52.037 -0.062 0.000 0.628 207 A CB -0.185 18.793 19.000 -0.037 0.000 0.814 207 A HN -0.032 nan 8.150 nan 0.000 0.444 208 K N -0.280 120.059 120.400 -0.103 0.000 2.097 208 K HA 0.021 4.340 4.320 -0.001 0.000 0.205 208 K C 1.852 178.356 176.600 -0.160 0.000 1.050 208 K CA 1.056 57.269 56.287 -0.123 0.000 0.938 208 K CB -0.513 31.922 32.500 -0.108 0.000 0.718 208 K HN 0.612 nan 8.250 nan 0.000 0.442 209 I N 1.394 121.839 120.570 -0.210 0.000 2.163 209 I HA -0.359 3.811 4.170 -0.001 0.000 0.243 209 I C 2.456 178.421 176.117 -0.255 0.000 1.085 209 I CA 1.519 62.639 61.300 -0.299 0.000 1.347 209 I CB -0.261 37.383 38.000 -0.593 0.000 1.044 209 I HN 0.245 nan 8.210 nan 0.000 0.408 210 Q N 0.113 119.779 119.800 -0.223 0.000 2.079 210 Q HA -0.250 4.089 4.340 -0.001 0.000 0.200 210 Q C 2.181 178.149 176.000 -0.054 0.000 0.974 210 Q CA 1.574 57.317 55.803 -0.099 0.000 0.840 210 Q CB -0.200 28.512 28.738 -0.043 0.000 0.898 210 Q HN 0.510 nan 8.270 nan 0.000 0.430 211 E N 0.868 121.024 120.200 -0.073 0.000 2.051 211 E HA -0.191 4.158 4.350 -0.001 0.000 0.192 211 E C 1.785 178.350 176.600 -0.058 0.000 0.991 211 E CA 0.924 57.287 56.400 -0.061 0.000 0.799 211 E CB 0.056 29.708 29.700 -0.079 0.000 0.748 211 E HN 0.326 nan 8.360 nan 0.000 0.449 212 L N -0.483 120.688 121.223 -0.088 0.000 2.375 212 L HA 0.237 4.576 4.340 -0.001 0.000 0.215 212 L C 0.879 177.826 176.870 0.128 0.000 1.108 212 L CA 0.345 55.143 54.840 -0.070 0.000 0.830 212 L CB 0.164 42.072 42.059 -0.252 0.000 0.959 212 L HN 0.308 nan 8.230 nan 0.000 0.457 213 G N 0.238 109.089 108.800 0.084 0.000 3.322 213 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.686 213 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.686 213 G C -2.302 172.640 174.900 0.070 0.000 1.015 213 G CA -0.731 44.444 45.100 0.126 0.000 0.826 213 G HN -0.088 nan 8.290 nan 0.000 0.538 214 P HA -0.118 nan 4.420 nan 0.000 0.216 214 P C 1.620 178.916 177.300 -0.008 0.000 1.153 214 P CA 1.661 64.763 63.100 0.003 0.000 0.858 214 P CB 0.186 31.934 31.700 0.080 0.000 0.789 215 E N -1.491 118.658 120.200 -0.085 0.000 2.204 215 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 215 E C 1.451 177.960 176.600 -0.153 0.000 0.990 215 E CA 0.977 57.282 56.400 -0.158 0.000 0.821 215 E CB -0.543 29.001 29.700 -0.259 0.000 0.750 215 E HN 0.577 nan 8.360 nan 0.000 0.477 216 H N -0.630 118.491 119.070 0.085 0.000 2.539 216 H HA 0.080 4.636 4.556 0.000 0.000 0.267 216 H C 0.150 175.588 175.328 0.183 0.000 0.982 216 H CA -0.277 55.855 56.048 0.140 0.000 1.146 216 H CB 0.442 30.337 29.762 0.222 0.000 1.382 216 H HN -0.042 nan 8.280 nan 0.000 0.577 217 I N 1.573 122.255 120.570 0.186 0.000 2.315 217 I HA -0.047 4.122 4.170 -0.001 0.000 0.291 217 I C 0.994 177.122 176.117 0.017 0.000 1.006 217 I CA -0.256 61.117 61.300 0.122 0.000 1.265 217 I CB 1.369 39.401 38.000 0.054 0.000 1.387 217 I HN 0.217 nan 8.210 nan 0.000 0.475 218 L N 7.637 128.814 121.223 -0.076 0.000 2.005 218 L HA -0.035 4.304 4.340 -0.001 0.000 0.207 218 L C 0.748 177.534 176.870 -0.139 0.000 1.072 218 L CA 1.667 56.370 54.840 -0.229 0.000 0.744 218 L CB 0.225 41.864 42.059 -0.700 0.000 0.895 218 L HN 0.915 nan 8.230 nan 0.000 0.433 219 C N -4.247 114.987 119.300 -0.109 0.000 3.275 219 C HA 0.470 4.929 4.460 -0.001 0.000 0.340 219 C C -0.625 174.395 174.990 0.049 0.000 1.366 219 C CA -1.901 57.122 59.018 0.008 0.000 1.227 219 C CB 0.103 27.893 27.740 0.084 0.000 1.512 219 C HN 0.278 nan 8.230 nan 0.000 0.461 220 L N 1.596 122.890 121.223 0.119 0.000 2.312 220 L HA 0.671 5.011 4.340 -0.001 0.000 0.281 220 L C -0.444 176.643 176.870 0.362 0.000 1.070 220 L CA 0.242 55.175 54.840 0.154 0.000 0.805 220 L CB 0.784 42.845 42.059 0.004 0.000 1.174 220 L HN 0.978 nan 8.230 nan 0.000 0.434 221 H N 3.604 122.839 119.070 0.274 0.000 2.866 221 H HA 0.483 5.038 4.556 -0.001 0.000 0.287 221 H C -0.930 174.632 175.328 0.390 0.000 1.106 221 H CA -0.626 55.662 56.048 0.400 0.000 1.396 221 H CB 0.678 30.688 29.762 0.414 0.000 1.469 221 H HN 0.675 nan 8.280 nan 0.000 0.500 222 S N 2.907 118.857 115.700 0.417 0.000 2.722 222 S HA 0.799 5.269 4.470 -0.001 0.000 0.292 222 S C -0.469 174.208 174.600 0.129 0.000 1.135 222 S CA -0.736 57.581 58.200 0.195 0.000 1.003 222 S CB 2.131 65.510 63.200 0.297 0.000 1.067 222 S HN 0.484 nan 8.310 nan 0.000 0.546 223 T N 1.126 115.683 114.554 0.005 0.000 2.921 223 T HA 0.560 4.909 4.350 -0.001 0.000 0.297 223 T C 0.846 175.494 174.700 -0.085 0.000 1.013 223 T CA -0.411 61.670 62.100 -0.032 0.000 0.990 223 T CB 1.746 70.554 68.868 -0.099 0.000 1.023 223 T HN 0.883 nan 8.240 nan 0.000 0.447 224 T N 0.803 115.293 114.554 -0.107 0.000 3.397 224 T HA 0.548 4.898 4.350 -0.001 0.000 0.197 224 T C 1.239 175.770 174.700 -0.282 0.000 0.837 224 T CA 0.169 62.172 62.100 -0.162 0.000 2.001 224 T CB -0.608 68.175 68.868 -0.141 0.000 1.845 224 T HN 0.767 nan 8.240 nan 0.000 0.444 225 A N 1.315 123.874 122.820 -0.436 0.000 2.540 225 A HA 0.509 4.829 4.320 -0.001 0.000 0.239 225 A C 0.738 177.819 177.584 -0.838 0.000 1.061 225 A CA -0.207 51.359 52.037 -0.785 0.000 0.758 225 A CB -1.397 16.802 19.000 -1.335 0.000 0.991 225 A HN 1.402 nan 8.150 nan 0.000 0.502 226 C N -0.301 118.641 119.300 -0.596 0.000 3.306 226 C HA 0.677 5.137 4.460 -0.001 0.000 0.335 226 C C -0.567 174.305 174.990 -0.196 0.000 1.382 226 C CA -1.547 57.236 59.018 -0.391 0.000 1.254 226 C CB -0.062 27.470 27.740 -0.346 0.000 1.555 226 C HN 0.750 nan 8.230 nan 0.000 0.463 227 F N 2.200 122.169 119.950 0.031 0.000 2.541 227 F HA 0.475 5.001 4.527 -0.001 0.000 0.378 227 F C 1.429 177.213 175.800 -0.027 0.000 1.068 227 F CA 0.585 58.625 58.000 0.067 0.000 1.199 227 F CB 0.341 39.438 39.000 0.161 0.000 1.091 227 F HN 0.969 nan 8.300 nan 0.000 0.555 228 A N 6.173 129.100 122.820 0.178 0.000 2.555 228 A HA 0.110 4.429 4.320 -0.001 0.000 0.233 228 A C -1.528 176.003 177.584 -0.087 0.000 1.060 228 A CA -0.959 51.093 52.037 0.026 0.000 0.759 228 A CB -0.275 18.744 19.000 0.031 0.000 0.995 228 A HN 0.608 nan 8.150 nan 0.000 0.506 229 P HA 0.070 nan 4.420 nan 0.000 0.261 229 P C 0.326 177.560 177.300 -0.109 0.000 1.352 229 P CA -0.123 62.844 63.100 -0.221 0.000 0.891 229 P CB 0.035 31.526 31.700 -0.348 0.000 1.383 230 R N 1.147 121.581 120.500 -0.109 0.000 2.694 230 R HA 0.282 4.621 4.340 -0.001 0.000 0.268 230 R C 0.031 176.264 176.300 -0.111 0.000 1.061 230 R CA 0.081 56.095 56.100 -0.144 0.000 1.133 230 R CB 0.577 30.667 30.300 -0.349 0.000 1.020 230 R HN -0.026 nan 8.270 nan 0.000 0.475 231 V N 0.645 120.501 119.914 -0.097 0.000 3.126 231 V HA 0.620 4.740 4.120 -0.001 0.000 0.314 231 V C -2.625 173.399 176.094 -0.118 0.000 1.138 231 V CA -2.828 59.426 62.300 -0.077 0.000 1.034 231 V CB 1.732 33.556 31.823 0.001 0.000 1.075 231 V HN 0.698 nan 8.190 nan 0.000 0.442 232 P HA 0.110 nan 4.420 nan 0.000 0.265 232 P C -0.489 176.748 177.300 -0.106 0.000 1.187 232 P CA 0.363 63.386 63.100 -0.128 0.000 0.766 232 P CB 0.133 31.762 31.700 -0.117 0.000 0.820 233 D N 2.403 122.744 120.400 -0.099 0.000 2.390 233 D HA -0.038 4.601 4.640 -0.001 0.000 0.236 233 D C 0.633 176.897 176.300 -0.060 0.000 1.189 233 D CA 0.405 54.358 54.000 -0.079 0.000 0.887 233 D CB 0.529 41.297 40.800 -0.053 0.000 1.198 233 D HN 0.233 nan 8.370 nan 0.000 0.444 234 R N 2.297 122.759 120.500 -0.063 0.000 3.641 234 R HA 0.054 4.393 4.340 -0.001 0.000 0.189 234 R C 1.304 177.590 176.300 -0.023 0.000 1.706 234 R CA -0.188 55.877 56.100 -0.058 0.000 1.311 234 R CB -0.226 30.034 30.300 -0.068 0.000 1.330 234 R HN 0.338 nan 8.270 nan 0.000 0.727 235 L N 0.657 121.880 121.223 -0.001 0.000 2.083 235 L HA -0.209 4.130 4.340 -0.001 0.000 0.209 235 L C 2.051 178.950 176.870 0.047 0.000 1.083 235 L CA 1.472 56.352 54.840 0.066 0.000 0.752 235 L CB -0.286 41.800 42.059 0.046 0.000 0.899 235 L HN 0.541 nan 8.230 nan 0.000 0.433 236 E N 0.313 120.507 120.200 -0.010 0.000 2.038 236 E HA -0.256 4.094 4.350 -0.001 0.000 0.195 236 E C 2.072 178.662 176.600 -0.018 0.000 1.000 236 E CA 1.631 58.016 56.400 -0.025 0.000 0.803 236 E CB -0.028 29.647 29.700 -0.043 0.000 0.750 236 E HN 0.505 nan 8.360 nan 0.000 0.448 237 E N 0.776 120.962 120.200 -0.024 0.000 2.072 237 E HA -0.115 4.235 4.350 -0.001 0.000 0.191 237 E C 2.144 178.725 176.600 -0.033 0.000 0.985 237 E CA 0.629 57.013 56.400 -0.027 0.000 0.801 237 E CB -0.113 29.567 29.700 -0.032 0.000 0.750 237 E HN 0.174 nan 8.360 nan 0.000 0.452 238 L N 0.265 121.459 121.223 -0.049 0.000 2.083 238 L HA -0.164 4.175 4.340 -0.001 0.000 0.209 238 L C 2.398 179.172 176.870 -0.161 0.000 1.083 238 L CA 1.050 55.811 54.840 -0.132 0.000 0.752 238 L CB -0.497 41.448 42.059 -0.190 0.000 0.899 238 L HN 0.170 nan 8.230 nan 0.000 0.433 239 A N -0.351 122.456 122.820 -0.023 0.000 1.902 239 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 239 A C 2.349 179.941 177.584 0.014 0.000 1.181 239 A CA 1.705 53.785 52.037 0.070 0.000 0.623 239 A CB -0.778 18.285 19.000 0.106 0.000 0.818 239 A HN 0.183 nan 8.150 nan 0.000 0.443 240 V N 0.172 120.082 119.914 -0.008 0.000 2.295 240 V HA -0.287 3.833 4.120 -0.001 0.000 0.246 240 V C 2.431 178.525 176.094 -0.001 0.000 1.049 240 V CA 2.116 64.408 62.300 -0.014 0.000 1.024 240 V CB -0.690 31.121 31.823 -0.021 0.000 0.648 240 V HN 0.581 nan 8.190 nan 0.000 0.447 241 I N -0.587 119.993 120.570 0.017 0.000 2.127 241 I HA -0.326 3.844 4.170 -0.001 0.000 0.241 241 I C 2.622 178.822 176.117 0.138 0.000 1.075 241 I CA 1.872 63.234 61.300 0.104 0.000 1.334 241 I CB -0.541 37.507 38.000 0.081 0.000 1.040 241 I HN 0.359 nan 8.210 nan 0.000 0.405 242 C N 0.557 119.878 119.300 0.035 0.000 2.413 242 C HA -0.178 4.282 4.460 -0.001 0.000 0.276 242 C C 3.187 178.213 174.990 0.060 0.000 1.248 242 C CA 0.854 59.900 59.018 0.047 0.000 1.742 242 C CB -1.374 26.366 27.740 0.001 0.000 2.017 242 C HN 0.626 nan 8.230 nan 0.000 0.481 243 A N 1.397 124.236 122.820 0.031 0.000 1.883 243 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 243 A C 1.915 179.486 177.584 -0.021 0.000 1.186 243 A CA 2.219 54.259 52.037 0.005 0.000 0.624 243 A CB -0.668 18.325 19.000 -0.012 0.000 0.822 243 A HN 0.650 nan 8.150 nan 0.000 0.444 244 N N -1.329 117.338 118.700 -0.055 0.000 2.188 244 N HA -0.118 4.621 4.740 -0.001 0.000 0.184 244 N C 1.220 176.583 175.510 -0.246 0.000 1.018 244 N CA 1.454 54.398 53.050 -0.177 0.000 0.858 244 N CB -0.502 37.826 38.487 -0.265 0.000 0.989 244 N HN 0.637 nan 8.380 nan 0.000 0.426 245 Y N 0.481 120.767 120.300 -0.023 0.000 2.490 245 Y HA 0.035 4.585 4.550 -0.000 0.000 0.281 245 Y C 0.204 176.092 175.900 -0.020 0.000 1.174 245 Y CA -0.141 57.947 58.100 -0.020 0.000 1.295 245 Y CB -0.055 38.393 38.460 -0.021 0.000 1.062 245 Y HN 0.001 nan 8.280 nan 0.000 0.522 246 D N 0.675 121.128 120.400 0.088 0.000 2.705 246 D HA -0.221 4.418 4.640 -0.001 0.000 0.240 246 D C -0.879 175.452 176.300 0.051 0.000 1.137 246 D CA 0.477 54.504 54.000 0.046 0.000 0.677 246 D CB -1.342 39.471 40.800 0.022 0.000 1.049 246 D HN 0.340 nan 8.370 nan 0.000 0.427 247 I N 0.273 120.882 120.570 0.066 0.000 2.433 247 I HA 0.420 4.589 4.170 -0.001 0.000 0.292 247 I C -1.925 174.219 176.117 0.046 0.000 1.001 247 I CA -2.320 59.007 61.300 0.045 0.000 1.119 247 I CB 2.066 40.093 38.000 0.045 0.000 1.289 247 I HN -0.108 nan 8.210 nan 0.000 0.438 248 P HA 0.014 nan 4.420 nan 0.000 0.269 248 P C -1.125 176.277 177.300 0.170 0.000 1.215 248 P CA 0.144 63.275 63.100 0.052 0.000 0.780 248 P CB 0.308 32.011 31.700 0.004 0.000 0.898 249 H N 0.657 119.777 119.070 0.083 0.000 2.906 249 H HA 0.449 5.004 4.556 -0.001 0.000 0.324 249 H C -1.466 173.981 175.328 0.198 0.000 0.973 249 H CA -0.930 55.200 56.048 0.136 0.000 1.321 249 H CB 0.869 30.698 29.762 0.111 0.000 1.535 249 H HN 0.037 nan 8.280 nan 0.000 0.518 250 V N 6.513 126.649 119.914 0.369 0.000 2.384 250 V HA 0.192 4.311 4.120 -0.001 0.000 0.287 250 V C -0.186 176.085 176.094 0.296 0.000 1.020 250 V CA -0.735 61.725 62.300 0.268 0.000 0.850 250 V CB 1.547 33.547 31.823 0.296 0.000 0.987 250 V HN 0.488 nan 8.190 nan 0.000 0.436 251 V N 4.628 124.643 119.914 0.167 0.000 2.370 251 V HA 0.290 4.410 4.120 -0.001 0.000 0.279 251 V C 0.528 176.764 176.094 0.237 0.000 1.029 251 V CA -0.595 61.815 62.300 0.184 0.000 0.870 251 V CB 1.364 33.225 31.823 0.062 0.000 0.984 251 V HN 0.944 nan 8.190 nan 0.000 0.451 252 N N 3.832 122.714 118.700 0.304 0.000 2.466 252 N HA 0.056 4.795 4.740 -0.001 0.000 0.263 252 N C 0.409 175.998 175.510 0.131 0.000 1.178 252 N CA -0.198 53.012 53.050 0.267 0.000 0.983 252 N CB 0.132 38.842 38.487 0.371 0.000 1.331 252 N HN 0.656 nan 8.380 nan 0.000 0.500 253 N N 3.083 121.854 118.700 0.118 0.000 2.376 253 N HA 0.174 4.913 4.740 -0.001 0.000 0.249 253 N C 1.178 176.721 175.510 0.056 0.000 1.140 253 N CA -0.125 52.963 53.050 0.062 0.000 0.870 253 N CB 0.250 38.815 38.487 0.130 0.000 1.124 253 N HN 0.616 nan 8.380 nan 0.000 0.505 254 A N 0.462 123.332 122.820 0.083 0.000 1.894 254 A HA -0.241 4.079 4.320 -0.001 0.000 0.220 254 A C 1.219 178.920 177.584 0.195 0.000 1.237 254 A CA 2.079 54.204 52.037 0.146 0.000 0.660 254 A CB -0.900 18.224 19.000 0.206 0.000 0.835 254 A HN 0.679 nan 8.150 nan 0.000 0.461 255 Y N -3.077 117.208 120.300 -0.026 0.000 2.716 255 Y HA 0.624 5.173 4.550 -0.001 0.000 0.260 255 Y C 1.255 177.121 175.900 -0.057 0.000 1.141 255 Y CA -0.071 58.003 58.100 -0.044 0.000 1.168 255 Y CB -0.341 38.087 38.460 -0.054 0.000 1.189 255 Y HN 0.060 nan 8.280 nan 0.000 0.549 256 G N 0.784 109.509 108.800 -0.124 0.000 2.744 256 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.211 256 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.211 256 G C 1.188 176.043 174.900 -0.074 0.000 1.146 256 G CA 0.380 45.390 45.100 -0.151 0.000 0.787 256 G HN 0.550 nan 8.290 nan 0.000 0.534 257 L N 0.862 122.071 121.223 -0.025 0.000 2.083 257 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 257 L C 3.022 179.869 176.870 -0.038 0.000 1.083 257 L CA 1.999 56.834 54.840 -0.009 0.000 0.752 257 L CB -0.226 41.846 42.059 0.021 0.000 0.899 257 L HN 0.488 nan 8.230 nan 0.000 0.433 258 Q N -0.988 118.769 119.800 -0.071 0.000 2.508 258 Q HA -0.096 4.243 4.340 -0.001 0.000 0.214 258 Q C 0.776 176.716 176.000 -0.101 0.000 0.979 258 Q CA 0.848 56.592 55.803 -0.099 0.000 0.911 258 Q CB -0.230 28.454 28.738 -0.090 0.000 0.969 258 Q HN 0.393 nan 8.270 nan 0.000 0.504 259 S N 0.506 116.152 115.700 -0.090 0.000 2.498 259 S HA 0.254 4.723 4.470 -0.001 0.000 0.324 259 S C 0.739 175.291 174.600 -0.081 0.000 1.071 259 S CA -0.269 57.868 58.200 -0.106 0.000 1.113 259 S CB 1.458 64.577 63.200 -0.135 0.000 0.976 259 S HN 0.417 nan 8.310 nan 0.000 0.462 260 S N 5.443 121.100 115.700 -0.071 0.000 2.399 260 S HA -0.115 4.354 4.470 -0.001 0.000 0.231 260 S C 1.626 176.212 174.600 -0.022 0.000 1.022 260 S CA 0.675 58.852 58.200 -0.037 0.000 0.983 260 S CB -0.364 62.815 63.200 -0.036 0.000 0.803 260 S HN 0.792 nan 8.310 nan 0.000 0.480 261 K N 0.525 120.891 120.400 -0.056 0.000 2.057 261 K HA -0.022 4.297 4.320 -0.001 0.000 0.207 261 K C 2.414 179.003 176.600 -0.019 0.000 1.049 261 K CA 1.461 57.727 56.287 -0.035 0.000 0.931 261 K CB -0.641 31.812 32.500 -0.079 0.000 0.714 261 K HN 0.434 nan 8.250 nan 0.000 0.440 262 C N 0.913 120.172 119.300 -0.069 0.000 2.429 262 C HA -0.050 4.409 4.460 -0.001 0.000 0.277 262 C C 2.748 177.690 174.990 -0.080 0.000 1.262 262 C CA 0.516 59.481 59.018 -0.088 0.000 1.733 262 C CB -0.512 27.150 27.740 -0.129 0.000 2.010 262 C HN 0.456 nan 8.230 nan 0.000 0.483 263 M N -0.129 119.434 119.600 -0.062 0.000 2.132 263 M HA -0.096 4.384 4.480 -0.001 0.000 0.263 263 M C 1.982 178.257 176.300 -0.041 0.000 1.065 263 M CA 1.665 56.917 55.300 -0.080 0.000 1.122 263 M CB -1.762 30.805 32.600 -0.056 0.000 1.365 263 M HN 0.523 nan 8.290 nan 0.000 0.411 264 H N 0.543 119.571 119.070 -0.070 0.000 2.387 264 H HA -0.138 4.418 4.556 -0.001 0.000 0.299 264 H C 1.801 177.094 175.328 -0.058 0.000 1.099 264 H CA 1.591 57.614 56.048 -0.042 0.000 1.315 264 H CB -0.116 29.632 29.762 -0.024 0.000 1.380 264 H HN 0.142 nan 8.280 nan 0.000 0.513 265 L N 0.184 121.369 121.223 -0.063 0.000 2.046 265 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 265 L C 2.203 178.977 176.870 -0.159 0.000 1.077 265 L CA 1.539 56.312 54.840 -0.112 0.000 0.747 265 L CB -0.687 41.332 42.059 -0.066 0.000 0.896 265 L HN 0.420 nan 8.230 nan 0.000 0.432 266 I N -1.244 119.219 120.570 -0.177 0.000 2.179 266 I HA -0.306 3.863 4.170 -0.001 0.000 0.242 266 I C 2.505 178.499 176.117 -0.204 0.000 1.088 266 I CA 1.208 62.374 61.300 -0.224 0.000 1.357 266 I CB -0.302 37.450 38.000 -0.412 0.000 1.051 266 I HN 0.346 nan 8.210 nan 0.000 0.409 267 Q N 0.728 120.411 119.800 -0.194 0.000 2.061 267 Q HA -0.243 4.096 4.340 -0.001 0.000 0.204 267 Q C 2.201 178.051 176.000 -0.250 0.000 0.984 267 Q CA 1.816 57.521 55.803 -0.164 0.000 0.846 267 Q CB -0.183 28.495 28.738 -0.100 0.000 0.902 267 Q HN 0.388 nan 8.270 nan 0.000 0.421 268 Q N -0.968 118.632 119.800 -0.334 0.000 2.079 268 Q HA -0.043 4.297 4.340 -0.001 0.000 0.200 268 Q C 2.023 177.903 176.000 -0.200 0.000 0.974 268 Q CA 1.462 57.091 55.803 -0.290 0.000 0.840 268 Q CB -0.745 27.795 28.738 -0.329 0.000 0.898 268 Q HN 0.559 nan 8.270 nan 0.000 0.430 269 G N 0.928 109.622 108.800 -0.177 0.000 2.469 269 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.219 269 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.219 269 G C 1.541 176.335 174.900 -0.176 0.000 1.150 269 G CA 1.361 46.390 45.100 -0.119 0.000 0.763 269 G HN 0.461 nan 8.290 nan 0.000 0.561 270 A N 0.264 122.888 122.820 -0.327 0.000 1.969 270 A HA 0.073 4.392 4.320 -0.001 0.000 0.218 270 A C 2.303 179.663 177.584 -0.374 0.000 1.169 270 A CA 1.716 53.418 52.037 -0.558 0.000 0.635 270 A CB -0.358 17.816 19.000 -1.377 0.000 0.810 270 A HN 0.385 nan 8.150 nan 0.000 0.445 271 R N -0.094 120.246 120.500 -0.267 0.000 2.090 271 R HA -0.074 4.266 4.340 -0.001 0.000 0.228 271 R C 1.778 178.004 176.300 -0.123 0.000 1.110 271 R CA 1.803 57.799 56.100 -0.172 0.000 0.973 271 R CB -0.167 30.052 30.300 -0.135 0.000 0.869 271 R HN 0.506 nan 8.270 nan 0.000 0.440 272 V N -3.327 116.518 119.914 -0.114 0.000 3.644 272 V HA 0.478 4.598 4.120 -0.001 0.000 0.267 272 V C 0.568 176.625 176.094 -0.063 0.000 1.277 272 V CA 0.659 62.913 62.300 -0.077 0.000 1.096 272 V CB 0.655 32.439 31.823 -0.065 0.000 0.828 272 V HN 0.358 nan 8.190 nan 0.000 0.446 273 G N 0.288 109.047 108.800 -0.070 0.000 2.694 273 G HA2 0.483 4.442 3.960 -0.001 0.000 0.246 273 G HA3 0.483 4.442 3.960 -0.001 0.000 0.246 273 G C -1.240 173.639 174.900 -0.034 0.000 1.205 273 G CA -0.812 44.266 45.100 -0.037 0.000 0.891 273 G HN 0.316 nan 8.290 nan 0.000 0.515 274 R N 0.024 120.543 120.500 0.032 0.000 2.295 274 R HA 0.706 5.045 4.340 -0.001 0.000 0.324 274 R C -1.233 175.176 176.300 0.182 0.000 0.968 274 R CA -0.460 55.682 56.100 0.070 0.000 0.837 274 R CB 0.645 30.992 30.300 0.078 0.000 1.133 274 R HN 0.362 nan 8.270 nan 0.000 0.450 275 I N 4.278 124.913 120.570 0.108 0.000 2.478 275 I HA 0.165 4.335 4.170 -0.001 0.000 0.287 275 I C -0.065 176.224 176.117 0.287 0.000 1.042 275 I CA -0.596 60.782 61.300 0.130 0.000 1.067 275 I CB 2.298 40.352 38.000 0.090 0.000 1.233 275 I HN 0.694 nan 8.210 nan 0.000 0.431 276 D N 4.663 125.204 120.400 0.235 0.000 2.277 276 D HA 0.220 4.859 4.640 -0.001 0.000 0.209 276 D C 0.506 177.052 176.300 0.411 0.000 0.970 276 D CA 0.670 54.827 54.000 0.261 0.000 0.874 276 D CB 1.057 41.879 40.800 0.037 0.000 0.982 276 D HN 0.551 nan 8.370 nan 0.000 0.504 277 A N 0.510 123.518 122.820 0.314 0.000 2.574 277 A HA 0.562 4.882 4.320 -0.001 0.000 0.297 277 A C -1.664 176.036 177.584 0.193 0.000 1.062 277 A CA -0.827 51.319 52.037 0.181 0.000 0.686 277 A CB 0.961 20.039 19.000 0.130 0.000 1.285 277 A HN 0.092 nan 8.150 nan 0.000 0.403 278 F N 0.152 120.066 119.950 -0.060 0.000 2.556 278 F HA 0.818 5.344 4.527 -0.001 0.000 0.314 278 F C -1.041 174.698 175.800 -0.103 0.000 1.106 278 F CA -1.166 56.796 58.000 -0.063 0.000 0.911 278 F CB 1.653 40.625 39.000 -0.047 0.000 1.190 278 F HN 0.311 nan 8.300 nan 0.000 0.448 279 V N 4.027 123.961 119.914 0.034 0.000 2.555 279 V HA 0.557 4.676 4.120 -0.001 0.000 0.302 279 V C -0.910 175.201 176.094 0.028 0.000 1.038 279 V CA -0.541 61.714 62.300 -0.074 0.000 0.887 279 V CB 1.668 33.435 31.823 -0.093 0.000 0.991 279 V HN 0.877 nan 8.190 nan 0.000 0.434 280 Q N 2.115 121.914 119.800 -0.002 0.000 2.389 280 Q HA 0.568 4.908 4.340 -0.001 0.000 0.277 280 Q C -1.080 174.959 176.000 0.064 0.000 1.082 280 Q CA -0.736 55.107 55.803 0.067 0.000 0.810 280 Q CB 1.963 30.768 28.738 0.112 0.000 1.374 280 Q HN 0.498 nan 8.270 nan 0.000 0.422 281 S N 1.889 117.648 115.700 0.099 0.000 2.548 281 S HA 0.231 4.701 4.470 -0.001 0.000 0.277 281 S C 1.419 176.117 174.600 0.162 0.000 1.315 281 S CA -0.515 57.746 58.200 0.102 0.000 1.050 281 S CB 0.515 63.776 63.200 0.102 0.000 0.918 281 S HN 0.569 nan 8.310 nan 0.000 0.497 282 L N 1.862 123.176 121.223 0.152 0.000 2.027 282 L HA -0.064 4.276 4.340 -0.001 0.000 0.206 282 L C 1.640 178.665 176.870 0.259 0.000 1.074 282 L CA 0.914 55.903 54.840 0.249 0.000 0.745 282 L CB -0.453 41.654 42.059 0.079 0.000 0.898 282 L HN 0.757 nan 8.230 nan 0.000 0.433 286 F N 1.334 121.352 119.950 0.113 0.000 2.746 286 F HA 0.468 4.994 4.527 -0.001 0.000 0.320 286 F C 0.459 176.309 175.800 0.083 0.000 1.097 286 F CA -0.009 58.052 58.000 0.101 0.000 1.195 286 F CB 0.188 39.179 39.000 -0.016 0.000 1.056 286 F HN -0.194 nan 8.300 nan 0.000 0.562 287 M N 1.228 120.936 119.600 0.180 0.000 2.399 287 M HA -0.146 4.334 4.480 -0.001 0.000 0.191 287 M C -0.835 175.538 176.300 0.122 0.000 0.732 287 M CA 0.306 55.681 55.300 0.125 0.000 0.512 287 M CB -1.832 30.835 32.600 0.112 0.000 1.191 287 M HN 0.003 nan 8.290 nan 0.000 0.894 288 V N -3.346 116.640 119.914 0.120 0.000 3.141 288 V HA 0.912 5.032 4.120 -0.001 0.000 0.312 288 V C -2.476 173.661 176.094 0.073 0.000 1.157 288 V CA -2.332 60.021 62.300 0.089 0.000 1.041 288 V CB 1.691 33.562 31.823 0.079 0.000 1.071 288 V HN 0.080 nan 8.190 nan 0.000 0.441 289 P HA 0.144 nan 4.420 nan 0.000 0.266 289 P C -0.164 177.169 177.300 0.055 0.000 1.193 289 P CA 0.053 63.186 63.100 0.055 0.000 0.770 289 P CB 0.298 32.030 31.700 0.053 0.000 0.836 290 V N 2.444 122.389 119.914 0.052 0.000 2.720 290 V HA 0.215 4.335 4.120 -0.001 0.000 0.307 290 V C 1.603 177.725 176.094 0.047 0.000 1.071 290 V CA 2.235 64.566 62.300 0.051 0.000 1.199 290 V CB -0.133 31.720 31.823 0.049 0.000 0.900 290 V HN 1.054 nan 8.190 nan 0.000 0.494 291 G N 2.953 111.778 108.800 0.043 0.000 3.743 291 G HA2 0.193 4.152 3.960 -0.001 0.000 0.220 291 G HA3 0.193 4.152 3.960 -0.001 0.000 0.220 291 G C 0.185 175.099 174.900 0.025 0.000 0.914 291 G CA 0.068 45.190 45.100 0.037 0.000 0.851 291 G HN 1.231 nan 8.290 nan 0.000 0.573 292 G N -0.413 108.398 108.800 0.017 0.000 2.605 292 G HA2 0.945 4.904 3.960 -0.001 0.000 0.296 292 G HA3 0.945 4.904 3.960 -0.001 0.000 0.296 292 G C -0.658 174.236 174.900 -0.010 0.000 1.304 292 G CA 0.188 45.283 45.100 -0.009 0.000 0.941 292 G HN 1.367 nan 8.290 nan 0.000 0.475 293 A N -0.421 122.369 122.820 -0.050 0.000 2.583 293 A HA 0.843 5.163 4.320 -0.001 0.000 0.289 293 A C -1.422 176.067 177.584 -0.157 0.000 1.151 293 A CA -0.650 51.346 52.037 -0.067 0.000 0.695 293 A CB 1.243 20.202 19.000 -0.069 0.000 1.290 293 A HN 0.710 nan 8.150 nan 0.000 0.419 294 I N 0.748 121.206 120.570 -0.186 0.000 2.436 294 I HA 0.419 4.588 4.170 -0.001 0.000 0.289 294 I C -0.883 174.960 176.117 -0.457 0.000 1.010 294 I CA -0.177 60.930 61.300 -0.322 0.000 1.098 294 I CB 1.755 39.619 38.000 -0.226 0.000 1.266 294 I HN 0.447 nan 8.210 nan 0.000 0.434 295 I N 5.605 125.717 120.570 -0.762 0.000 2.336 295 I HA 0.714 4.884 4.170 -0.001 0.000 0.292 295 I C 0.088 175.724 176.117 -0.802 0.000 0.991 295 I CA -0.198 60.617 61.300 -0.809 0.000 1.227 295 I CB 1.556 38.939 38.000 -1.029 0.000 1.366 295 I HN 0.668 nan 8.210 nan 0.000 0.466 296 A N 4.319 126.640 122.820 -0.831 0.000 2.556 296 A HA 0.991 5.311 4.320 -0.001 0.000 0.294 296 A C -0.465 176.557 177.584 -0.937 0.000 1.091 296 A CA -0.364 51.100 52.037 -0.955 0.000 0.704 296 A CB 1.947 20.146 19.000 -1.336 0.000 1.300 296 A HN 0.831 nan 8.150 nan 0.000 0.406 297 G N -1.310 107.100 108.800 -0.650 0.000 2.561 297 G HA2 0.526 4.485 3.960 -0.001 0.000 0.310 297 G HA3 0.526 4.485 3.960 -0.001 0.000 0.310 297 G C -0.909 173.690 174.900 -0.501 0.000 1.292 297 G CA -0.293 44.542 45.100 -0.443 0.000 0.811 297 G HN 0.538 nan 8.290 nan 0.000 0.482 298 F N -0.015 120.040 119.950 0.175 0.000 2.724 298 F HA 0.418 4.945 4.527 -0.001 0.000 0.306 298 F C 0.969 176.840 175.800 0.118 0.000 1.100 298 F CA -0.448 57.638 58.000 0.143 0.000 1.255 298 F CB 0.905 39.984 39.000 0.133 0.000 1.072 298 F HN 0.284 nan 8.300 nan 0.000 0.589 299 N N 1.327 120.190 118.700 0.273 0.000 2.518 299 N HA 0.043 4.783 4.740 -0.001 0.000 0.254 299 N C 0.700 176.317 175.510 0.179 0.000 0.979 299 N CA 0.208 53.389 53.050 0.219 0.000 0.930 299 N CB 1.297 39.925 38.487 0.235 0.000 1.152 299 N HN 0.261 nan 8.380 nan 0.000 0.505 300 E N 3.992 124.262 120.200 0.117 0.000 2.051 300 E HA -0.078 4.272 4.350 -0.001 0.000 0.192 300 E C -0.989 175.654 176.600 0.070 0.000 0.991 300 E CA 1.120 57.562 56.400 0.070 0.000 0.799 300 E CB -0.259 29.468 29.700 0.046 0.000 0.748 300 E HN 0.503 nan 8.360 nan 0.000 0.449 301 P HA -0.167 nan 4.420 nan 0.000 0.216 301 P C 1.065 178.443 177.300 0.131 0.000 1.153 301 P CA 1.065 64.218 63.100 0.088 0.000 0.858 301 P CB -0.163 31.594 31.700 0.095 0.000 0.789 302 F N 0.314 120.286 119.950 0.035 0.000 2.113 302 F HA -0.157 4.369 4.527 -0.001 0.000 0.297 302 F C 1.953 177.781 175.800 0.047 0.000 1.103 302 F CA 1.328 59.354 58.000 0.044 0.000 1.248 302 F CB -0.848 38.188 39.000 0.059 0.000 0.999 302 F HN -0.255 nan 8.300 nan 0.000 0.475 303 I N 0.488 120.980 120.570 -0.130 0.000 2.226 303 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 303 I C 2.276 178.318 176.117 -0.126 0.000 1.100 303 I CA 1.149 62.337 61.300 -0.188 0.000 1.374 303 I CB -1.558 36.414 38.000 -0.046 0.000 1.057 303 I HN 0.265 nan 8.210 nan 0.000 0.413 304 Q N 0.591 120.326 119.800 -0.108 0.000 2.124 304 Q HA -0.190 4.150 4.340 -0.001 0.000 0.202 304 Q C 1.823 177.712 176.000 -0.185 0.000 0.977 304 Q CA 1.290 56.997 55.803 -0.160 0.000 0.850 304 Q CB -0.468 28.210 28.738 -0.101 0.000 0.901 304 Q HN 0.506 nan 8.270 nan 0.000 0.429 305 D N 0.380 120.695 120.400 -0.143 0.000 2.144 305 D HA -0.097 4.542 4.640 -0.001 0.000 0.199 305 D C 2.011 178.213 176.300 -0.162 0.000 0.984 305 D CA 0.720 54.651 54.000 -0.115 0.000 0.834 305 D CB -0.157 40.637 40.800 -0.009 0.000 0.955 305 D HN 0.279 nan 8.370 nan 0.000 0.465 306 I N 0.231 120.644 120.570 -0.261 0.000 2.202 306 I HA -0.244 3.925 4.170 -0.001 0.000 0.242 306 I C 2.523 178.576 176.117 -0.107 0.000 1.091 306 I CA 0.854 62.063 61.300 -0.152 0.000 1.368 306 I CB -0.328 37.590 38.000 -0.137 0.000 1.058 306 I HN -0.057 nan 8.210 nan 0.000 0.410 307 S N 1.078 116.546 115.700 -0.387 0.000 2.359 307 S HA -0.231 4.239 4.470 -0.001 0.000 0.224 307 S C 2.027 176.426 174.600 -0.336 0.000 1.035 307 S CA 1.632 59.359 58.200 -0.787 0.000 1.018 307 S CB -0.174 62.264 63.200 -1.270 0.000 0.876 307 S HN 0.331 nan 8.310 nan 0.000 0.448 308 K N -0.029 120.227 120.400 -0.241 0.000 2.280 308 K HA -0.036 4.283 4.320 -0.001 0.000 0.202 308 K C 1.972 178.530 176.600 -0.070 0.000 1.047 308 K CA 1.311 57.517 56.287 -0.136 0.000 0.942 308 K CB -0.201 32.229 32.500 -0.117 0.000 0.739 308 K HN 0.342 nan 8.250 nan 0.000 0.457 309 M N 0.037 119.606 119.600 -0.052 0.000 2.476 309 M HA -0.082 4.398 4.480 -0.001 0.000 0.262 309 M C 0.021 176.327 176.300 0.011 0.000 1.079 309 M CA 0.896 56.184 55.300 -0.019 0.000 1.104 309 M CB -0.089 32.517 32.600 0.011 0.000 1.409 309 M HN 0.032 nan 8.290 nan 0.000 0.467 310 Y N 3.184 123.435 120.300 -0.081 0.000 2.496 310 Y HA 0.278 4.828 4.550 -0.001 0.000 0.334 310 Y C -2.008 173.856 175.900 -0.060 0.000 1.080 310 Y CA -2.435 55.630 58.100 -0.058 0.000 1.355 310 Y CB 0.188 38.606 38.460 -0.070 0.000 1.193 310 Y HN 0.144 nan 8.280 nan 0.000 0.523 311 P HA 0.371 nan 4.420 nan 0.000 0.287 311 P C 0.045 177.368 177.300 0.037 0.000 1.281 311 P CA 0.389 63.442 63.100 -0.078 0.000 0.781 311 P CB 1.160 32.772 31.700 -0.148 0.000 0.903 312 G N 3.091 111.953 108.800 0.104 0.000 2.760 312 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.246 312 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.246 312 G C -0.542 174.463 174.900 0.174 0.000 1.359 312 G CA -0.953 44.211 45.100 0.107 0.000 0.861 312 G HN 0.658 nan 8.290 nan 0.000 0.541 313 R N -0.156 120.404 120.500 0.100 0.000 2.637 313 R HA 0.733 5.073 4.340 -0.001 0.000 0.269 313 R C 0.550 176.902 176.300 0.087 0.000 1.089 313 R CA 0.399 56.531 56.100 0.054 0.000 1.177 313 R CB 0.793 31.108 30.300 0.026 0.000 1.091 313 R HN 1.734 nan 8.270 nan 0.000 0.540 314 A N 0.158 122.972 122.820 -0.011 0.000 2.569 314 A HA 0.372 4.691 4.320 -0.001 0.000 0.290 314 A C -0.549 177.009 177.584 -0.043 0.000 1.136 314 A CA -0.591 51.436 52.037 -0.018 0.000 0.710 314 A CB 1.562 20.439 19.000 -0.205 0.000 1.303 314 A HN 0.571 nan 8.150 nan 0.000 0.413 315 S N -0.312 115.370 115.700 -0.029 0.000 2.552 315 S HA 0.344 4.814 4.470 -0.001 0.000 0.289 315 S C 1.159 175.717 174.600 -0.071 0.000 1.304 315 S CA 0.284 58.456 58.200 -0.046 0.000 1.063 315 S CB 0.625 63.808 63.200 -0.029 0.000 0.848 315 S HN 1.787 nan 8.310 nan 0.000 0.499 316 A N 4.036 126.809 122.820 -0.078 0.000 2.251 316 A HA 0.178 4.497 4.320 -0.001 0.000 0.209 316 A C 2.180 179.713 177.584 -0.084 0.000 1.187 316 A CA 0.818 52.794 52.037 -0.102 0.000 0.823 316 A CB -0.605 18.326 19.000 -0.116 0.000 0.846 316 A HN 0.798 nan 8.150 nan 0.000 0.486 317 S N 0.725 116.401 115.700 -0.041 0.000 2.355 317 S HA -0.061 4.408 4.470 -0.001 0.000 0.222 317 S C -0.293 174.309 174.600 0.003 0.000 1.031 317 S CA 1.616 59.832 58.200 0.027 0.000 0.993 317 S CB -0.712 62.539 63.200 0.085 0.000 0.859 317 S HN 0.415 nan 8.310 nan 0.000 0.453 318 P HA -0.026 nan 4.420 nan 0.000 0.215 318 P C 1.588 178.835 177.300 -0.089 0.000 1.153 318 P CA 1.289 64.364 63.100 -0.041 0.000 0.853 318 P CB -0.142 31.531 31.700 -0.044 0.000 0.788 319 S N -0.539 115.093 115.700 -0.114 0.000 2.356 319 S HA -0.152 4.317 4.470 -0.001 0.000 0.223 319 S C 1.784 176.284 174.600 -0.167 0.000 1.032 319 S CA 1.058 59.164 58.200 -0.156 0.000 1.005 319 S CB -1.225 61.877 63.200 -0.164 0.000 0.867 319 S HN 0.058 nan 8.310 nan 0.000 0.449 320 L N 2.457 123.587 121.223 -0.154 0.000 2.012 320 L HA -0.146 4.193 4.340 -0.001 0.000 0.210 320 L C 1.567 178.381 176.870 -0.093 0.000 1.073 320 L CA 1.933 56.681 54.840 -0.153 0.000 0.748 320 L CB -0.975 41.024 42.059 -0.100 0.000 0.891 320 L HN 0.102 nan 8.230 nan 0.000 0.431 321 D N -0.942 119.428 120.400 -0.050 0.000 2.104 321 D HA -0.197 4.443 4.640 -0.001 0.000 0.194 321 D C 2.348 178.601 176.300 -0.079 0.000 0.994 321 D CA 1.723 55.706 54.000 -0.028 0.000 0.830 321 D CB -0.482 40.319 40.800 0.001 0.000 0.959 321 D HN 0.315 nan 8.370 nan 0.000 0.452 322 V N 0.558 120.385 119.914 -0.144 0.000 2.548 322 V HA -0.135 3.984 4.120 -0.001 0.000 0.249 322 V C 2.298 178.240 176.094 -0.253 0.000 1.055 322 V CA 0.933 63.085 62.300 -0.247 0.000 1.065 322 V CB -0.217 31.356 31.823 -0.416 0.000 0.681 322 V HN 0.086 nan 8.190 nan 0.000 0.462 323 L N 0.135 121.230 121.223 -0.215 0.000 1.989 323 L HA -0.149 4.190 4.340 -0.001 0.000 0.211 323 L C 2.192 178.952 176.870 -0.183 0.000 1.071 323 L CA 2.377 57.095 54.840 -0.204 0.000 0.749 323 L CB -0.495 41.464 42.059 -0.167 0.000 0.890 323 L HN 0.307 nan 8.230 nan 0.000 0.431 324 I N -0.922 119.571 120.570 -0.129 0.000 2.163 324 I HA -0.336 3.834 4.170 -0.001 0.000 0.243 324 I C 2.260 178.328 176.117 -0.082 0.000 1.085 324 I CA 1.865 63.112 61.300 -0.088 0.000 1.347 324 I CB -0.688 37.288 38.000 -0.040 0.000 1.044 324 I HN 0.332 nan 8.210 nan 0.000 0.408 325 T N 1.169 115.679 114.554 -0.073 0.000 2.708 325 T HA -0.123 4.227 4.350 -0.001 0.000 0.266 325 T C 1.943 176.604 174.700 -0.064 0.000 1.037 325 T CA 1.271 63.351 62.100 -0.033 0.000 1.146 325 T CB -0.317 68.553 68.868 0.003 0.000 0.865 325 T HN 0.233 nan 8.240 nan 0.000 0.435 326 L N 0.367 121.499 121.223 -0.152 0.000 2.056 326 L HA 0.005 4.345 4.340 -0.001 0.000 0.207 326 L C 2.477 179.213 176.870 -0.224 0.000 1.078 326 L CA 1.013 55.742 54.840 -0.186 0.000 0.749 326 L CB -0.568 41.325 42.059 -0.277 0.000 0.901 326 L HN 0.252 nan 8.230 nan 0.000 0.433 327 L N -1.076 119.953 121.223 -0.324 0.000 2.141 327 L HA -0.163 4.176 4.340 -0.001 0.000 0.209 327 L C 2.621 179.317 176.870 -0.290 0.000 1.094 327 L CA 0.898 55.419 54.840 -0.532 0.000 0.763 327 L CB -0.404 41.163 42.059 -0.819 0.000 0.908 327 L HN 0.192 nan 8.230 nan 0.000 0.437 328 S N -0.155 115.474 115.700 -0.119 0.000 2.387 328 S HA -0.022 4.448 4.470 -0.001 0.000 0.226 328 S C 1.941 176.558 174.600 0.027 0.000 1.026 328 S CA 0.910 59.112 58.200 0.004 0.000 0.972 328 S CB -0.065 63.154 63.200 0.032 0.000 0.814 328 S HN 0.285 nan 8.310 nan 0.000 0.477 329 L N 0.852 122.086 121.223 0.017 0.000 2.131 329 L HA 0.183 4.522 4.340 -0.001 0.000 0.206 329 L C 1.462 178.363 176.870 0.053 0.000 1.087 329 L CA 0.422 55.300 54.840 0.063 0.000 0.767 329 L CB -1.165 40.968 42.059 0.123 0.000 0.917 329 L HN 0.494 nan 8.230 nan 0.000 0.441 330 G N -1.150 107.650 108.800 0.000 0.000 2.894 330 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.247 330 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.247 330 G C 0.638 175.569 174.900 0.052 0.000 1.442 330 G CA -0.363 44.735 45.100 -0.002 0.000 0.897 330 G HN 0.186 nan 8.290 nan 0.000 0.550 331 C N 0.391 119.719 119.300 0.047 0.000 2.413 331 C HA -0.083 4.376 4.460 -0.001 0.000 0.276 331 C C 3.419 178.473 174.990 0.107 0.000 1.248 331 C CA 2.653 61.724 59.018 0.087 0.000 1.742 331 C CB -1.641 26.138 27.740 0.064 0.000 2.017 331 C HN 1.312 nan 8.230 nan 0.000 0.481 332 S N 1.280 117.025 115.700 0.076 0.000 2.368 332 S HA -0.076 4.394 4.470 -0.001 0.000 0.225 332 S C 2.032 176.671 174.600 0.065 0.000 1.030 332 S CA 1.764 60.002 58.200 0.063 0.000 0.999 332 S CB -1.058 62.172 63.200 0.050 0.000 0.844 332 S HN 0.608 nan 8.310 nan 0.000 0.459 333 G N -0.098 108.752 108.800 0.083 0.000 2.402 333 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.216 333 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.216 333 G C 1.320 176.286 174.900 0.110 0.000 1.162 333 G CA 0.809 45.960 45.100 0.084 0.000 0.777 333 G HN 0.528 nan 8.290 nan 0.000 0.539 334 Y N 1.367 121.684 120.300 0.027 0.000 2.163 334 Y HA -0.004 4.545 4.550 -0.001 0.000 0.288 334 Y C 3.037 178.946 175.900 0.015 0.000 1.136 334 Y CA 1.495 59.614 58.100 0.032 0.000 1.147 334 Y CB -0.198 38.298 38.460 0.060 0.000 0.987 334 Y HN 0.045 nan 8.280 nan 0.000 0.509 335 R N 0.154 120.669 120.500 0.024 0.000 2.091 335 R HA -0.223 4.116 4.340 -0.001 0.000 0.238 335 R C 2.386 178.630 176.300 -0.093 0.000 1.136 335 R CA 1.859 57.931 56.100 -0.047 0.000 0.959 335 R CB -0.310 30.003 30.300 0.022 0.000 0.856 335 R HN 0.295 nan 8.270 nan 0.000 0.437 336 K N 1.044 121.411 120.400 -0.054 0.000 2.026 336 K HA -0.142 4.178 4.320 -0.001 0.000 0.208 336 K C 2.111 178.656 176.600 -0.092 0.000 1.048 336 K CA 1.237 57.494 56.287 -0.050 0.000 0.929 336 K CB -0.103 32.387 32.500 -0.016 0.000 0.713 336 K HN 0.106 nan 8.250 nan 0.000 0.439 337 L N 1.013 122.154 121.223 -0.136 0.000 2.042 337 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 337 L C 2.406 179.141 176.870 -0.224 0.000 1.076 337 L CA 1.135 55.871 54.840 -0.173 0.000 0.749 337 L CB -0.414 41.519 42.059 -0.210 0.000 0.893 337 L HN 0.268 nan 8.230 nan 0.000 0.432 338 L N -0.330 120.698 121.223 -0.325 0.000 2.046 338 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 338 L C 2.722 179.506 176.870 -0.142 0.000 1.077 338 L CA 1.385 56.062 54.840 -0.272 0.000 0.747 338 L CB -0.581 41.297 42.059 -0.301 0.000 0.896 338 L HN 0.283 nan 8.230 nan 0.000 0.432 339 K N 0.733 121.068 120.400 -0.109 0.000 2.026 339 K HA -0.217 4.103 4.320 -0.001 0.000 0.208 339 K C 1.901 178.477 176.600 -0.041 0.000 1.048 339 K CA 1.688 57.939 56.287 -0.060 0.000 0.929 339 K CB -0.004 32.469 32.500 -0.045 0.000 0.713 339 K HN 0.332 nan 8.250 nan 0.000 0.439 340 E N 0.128 120.299 120.200 -0.048 0.000 2.110 340 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 340 E C 2.210 178.807 176.600 -0.005 0.000 0.988 340 E CA 0.815 57.199 56.400 -0.026 0.000 0.804 340 E CB -0.054 29.627 29.700 -0.032 0.000 0.745 340 E HN 0.259 nan 8.360 nan 0.000 0.458 341 R N 1.468 121.953 120.500 -0.025 0.000 2.073 341 R HA -0.159 4.181 4.340 -0.001 0.000 0.234 341 R C 1.950 178.286 176.300 0.060 0.000 1.134 341 R CA 1.457 57.562 56.100 0.009 0.000 0.952 341 R CB 0.044 30.324 30.300 -0.034 0.000 0.850 341 R HN 0.033 nan 8.270 nan 0.000 0.433 342 K N 0.278 120.692 120.400 0.022 0.000 2.057 342 K HA -0.167 4.153 4.320 -0.001 0.000 0.207 342 K C 2.055 178.731 176.600 0.127 0.000 1.049 342 K CA 1.856 58.176 56.287 0.054 0.000 0.931 342 K CB -0.069 32.429 32.500 -0.002 0.000 0.714 342 K HN 0.357 nan 8.250 nan 0.000 0.440 343 E N 0.148 120.397 120.200 0.081 0.000 2.077 343 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 343 E C 2.017 178.695 176.600 0.129 0.000 0.989 343 E CA 0.996 57.447 56.400 0.084 0.000 0.800 343 E CB 0.038 29.758 29.700 0.033 0.000 0.746 343 E HN 0.193 nan 8.360 nan 0.000 0.452 344 M N -0.253 119.424 119.600 0.128 0.000 2.229 344 M HA -0.088 4.392 4.480 -0.001 0.000 0.264 344 M C 2.108 178.529 176.300 0.203 0.000 1.063 344 M CA 1.080 56.480 55.300 0.167 0.000 1.114 344 M CB -0.758 31.917 32.600 0.125 0.000 1.387 344 M HN 0.121 nan 8.290 nan 0.000 0.420 345 F N 0.847 120.836 119.950 0.066 0.000 2.102 345 F HA -0.183 4.343 4.527 -0.001 0.000 0.298 345 F C 2.165 178.002 175.800 0.061 0.000 1.105 345 F CA 1.370 59.401 58.000 0.053 0.000 1.239 345 F CB -0.263 38.753 39.000 0.027 0.000 0.991 345 F HN -0.139 nan 8.300 nan 0.000 0.474 346 V N -0.407 119.633 119.914 0.209 0.000 2.343 346 V HA -0.330 3.790 4.120 -0.001 0.000 0.247 346 V C 2.054 178.178 176.094 0.050 0.000 1.051 346 V CA 2.239 64.603 62.300 0.108 0.000 1.036 346 V CB -1.111 30.803 31.823 0.151 0.000 0.654 346 V HN 0.523 nan 8.190 nan 0.000 0.451 347 Y N 0.388 120.675 120.300 -0.020 0.000 2.145 347 Y HA -0.223 4.326 4.550 -0.001 0.000 0.286 347 Y C 2.235 178.105 175.900 -0.050 0.000 1.145 347 Y CA 1.814 59.900 58.100 -0.023 0.000 1.148 347 Y CB -0.366 38.095 38.460 0.002 0.000 0.981 347 Y HN 0.217 nan 8.280 nan 0.000 0.507 348 L N -0.433 120.732 121.223 -0.096 0.000 2.012 348 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 348 L C 2.385 179.105 176.870 -0.251 0.000 1.073 348 L CA 2.270 57.006 54.840 -0.174 0.000 0.748 348 L CB -1.252 40.745 42.059 -0.102 0.000 0.891 348 L HN 0.175 nan 8.230 nan 0.000 0.431 349 S N -0.822 114.670 115.700 -0.347 0.000 2.359 349 S HA -0.236 4.233 4.470 -0.001 0.000 0.222 349 S C 1.813 176.294 174.600 -0.199 0.000 1.038 349 S CA 2.020 60.024 58.200 -0.326 0.000 1.051 349 S CB -0.726 62.239 63.200 -0.392 0.000 0.944 349 S HN 0.644 nan 8.310 nan 0.000 0.433 350 T N 2.306 116.750 114.554 -0.184 0.000 2.652 350 T HA -0.130 4.219 4.350 -0.001 0.000 0.267 350 T C 2.038 176.630 174.700 -0.179 0.000 1.039 350 T CA 1.238 63.252 62.100 -0.143 0.000 1.153 350 T CB -0.392 68.417 68.868 -0.098 0.000 0.863 350 T HN 0.281 nan 8.240 nan 0.000 0.428 351 Q N 0.334 119.957 119.800 -0.295 0.000 2.084 351 Q HA -0.007 4.333 4.340 -0.001 0.000 0.202 351 Q C 2.418 178.311 176.000 -0.178 0.000 0.978 351 Q CA 1.037 56.663 55.803 -0.294 0.000 0.844 351 Q CB -0.777 27.673 28.738 -0.481 0.000 0.898 351 Q HN 0.365 nan 8.270 nan 0.000 0.426 352 L N 1.251 122.385 121.223 -0.147 0.000 2.093 352 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 352 L C 2.322 179.149 176.870 -0.072 0.000 1.085 352 L CA 1.757 56.544 54.840 -0.088 0.000 0.755 352 L CB -0.420 41.627 42.059 -0.020 0.000 0.904 352 L HN 0.093 nan 8.230 nan 0.000 0.435 353 K N -0.364 119.990 120.400 -0.077 0.000 2.057 353 K HA -0.254 4.065 4.320 -0.001 0.000 0.207 353 K C 2.302 178.879 176.600 -0.038 0.000 1.049 353 K CA 1.679 57.936 56.287 -0.050 0.000 0.931 353 K CB -0.148 32.321 32.500 -0.052 0.000 0.714 353 K HN 0.289 nan 8.250 nan 0.000 0.440 354 K N 0.948 121.315 120.400 -0.054 0.000 2.026 354 K HA -0.171 4.148 4.320 -0.001 0.000 0.208 354 K C 2.255 178.844 176.600 -0.018 0.000 1.048 354 K CA 1.412 57.675 56.287 -0.040 0.000 0.929 354 K CB -0.211 32.255 32.500 -0.055 0.000 0.713 354 K HN 0.252 nan 8.250 nan 0.000 0.439 355 L N 0.683 121.889 121.223 -0.028 0.000 1.994 355 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 355 L C 2.415 179.344 176.870 0.098 0.000 1.071 355 L CA 1.847 56.701 54.840 0.023 0.000 0.745 355 L CB -0.524 41.487 42.059 -0.080 0.000 0.892 355 L HN 0.303 nan 8.230 nan 0.000 0.431 356 A N -0.200 122.632 122.820 0.020 0.000 1.873 356 A HA -0.305 4.015 4.320 -0.001 0.000 0.218 356 A C 2.080 179.705 177.584 0.069 0.000 1.193 356 A CA 2.248 54.306 52.037 0.035 0.000 0.629 356 A CB -0.842 18.164 19.000 0.010 0.000 0.826 356 A HN 0.659 nan 8.150 nan 0.000 0.447 357 E N -0.491 119.730 120.200 0.035 0.000 2.110 357 E HA -0.073 4.276 4.350 -0.001 0.000 0.193 357 E C 2.220 178.828 176.600 0.013 0.000 0.988 357 E CA 0.816 57.229 56.400 0.021 0.000 0.804 357 E CB -0.295 29.407 29.700 0.003 0.000 0.745 357 E HN 0.633 nan 8.360 nan 0.000 0.458 358 A N 0.992 123.818 122.820 0.011 0.000 2.070 358 A HA -0.162 4.157 4.320 -0.001 0.000 0.220 358 A C 1.421 178.901 177.584 -0.174 0.000 1.159 358 A CA 1.098 53.093 52.037 -0.070 0.000 0.656 358 A CB -0.403 18.546 19.000 -0.084 0.000 0.800 358 A HN 0.293 nan 8.150 nan 0.000 0.453 359 H N -0.959 118.093 119.070 -0.031 0.000 2.505 359 H HA 0.125 4.680 4.556 -0.001 0.000 0.289 359 H C -0.164 175.155 175.328 -0.014 0.000 1.052 359 H CA 0.177 56.210 56.048 -0.026 0.000 1.156 359 H CB -0.224 29.518 29.762 -0.034 0.000 1.507 359 H HN 0.676 nan 8.280 nan 0.000 0.548 360 N N 1.577 120.312 118.700 0.058 0.000 2.725 360 N HA -0.160 4.579 4.740 -0.001 0.000 0.249 360 N C -0.385 175.157 175.510 0.054 0.000 1.103 360 N CA 0.510 53.584 53.050 0.041 0.000 0.707 360 N CB -0.271 38.232 38.487 0.027 0.000 1.043 360 N HN 0.454 nan 8.380 nan 0.000 0.553 361 E N 0.403 120.643 120.200 0.066 0.000 2.405 361 E HA 0.565 4.915 4.350 -0.001 0.000 0.249 361 E C 0.568 177.193 176.600 0.042 0.000 1.028 361 E CA -0.588 55.845 56.400 0.055 0.000 0.897 361 E CB 1.383 31.116 29.700 0.055 0.000 1.262 361 E HN 0.430 nan 8.360 nan 0.000 0.442 362 R N -0.465 120.059 120.500 0.041 0.000 2.739 362 R HA 0.546 4.885 4.340 -0.001 0.000 0.271 362 R C -1.229 175.090 176.300 0.031 0.000 1.010 362 R CA -0.913 55.205 56.100 0.030 0.000 0.897 362 R CB 0.567 30.884 30.300 0.027 0.000 1.236 362 R HN 0.303 nan 8.270 nan 0.000 0.466 363 L N 2.553 123.786 121.223 0.017 0.000 2.281 363 L HA 0.329 4.668 4.340 -0.001 0.000 0.285 363 L C -0.461 176.420 176.870 0.018 0.000 1.074 363 L CA -0.332 54.515 54.840 0.011 0.000 0.817 363 L CB 0.801 42.854 42.059 -0.011 0.000 1.168 363 L HN 0.569 nan 8.230 nan 0.000 0.434 364 L N 4.999 126.235 121.223 0.022 0.000 2.514 364 L HA 0.020 4.359 4.340 -0.001 0.000 0.280 364 L C 0.505 177.386 176.870 0.019 0.000 1.223 364 L CA 0.285 55.139 54.840 0.023 0.000 0.864 364 L CB 0.030 42.089 42.059 0.001 0.000 1.118 364 L HN 0.617 nan 8.230 nan 0.000 0.494 365 Q N 1.970 121.787 119.800 0.028 0.000 2.423 365 Q HA 0.127 4.467 4.340 -0.001 0.000 0.235 365 Q C -0.061 175.957 176.000 0.030 0.000 1.100 365 Q CA -0.124 55.693 55.803 0.023 0.000 0.908 365 Q CB 0.418 29.168 28.738 0.020 0.000 1.312 365 Q HN 0.636 nan 8.270 nan 0.000 0.497 366 T N -1.752 112.821 114.554 0.031 0.000 3.532 366 T HA 0.248 4.597 4.350 -0.001 0.000 0.241 366 T C -2.014 172.698 174.700 0.020 0.000 1.238 366 T CA -1.547 60.577 62.100 0.040 0.000 1.405 366 T CB 0.544 69.437 68.868 0.042 0.000 0.971 366 T HN 0.257 nan 8.240 nan 0.000 0.640 367 P HA -0.101 nan 4.420 nan 0.000 0.222 367 P C 0.759 177.909 177.300 -0.251 0.000 1.147 367 P CA 1.137 64.133 63.100 -0.173 0.000 0.790 367 P CB -0.101 31.414 31.700 -0.308 0.000 0.780 368 H N -1.947 117.118 119.070 -0.008 0.000 2.547 368 H HA 0.103 4.658 4.556 -0.001 0.000 0.266 368 H C 0.825 176.114 175.328 -0.065 0.000 0.988 368 H CA 0.020 56.046 56.048 -0.037 0.000 1.147 368 H CB -0.212 29.530 29.762 -0.034 0.000 1.365 368 H HN 0.054 nan 8.280 nan 0.000 0.589 369 N N 1.399 120.111 118.700 0.020 0.000 2.469 369 N HA 0.055 4.794 4.740 -0.001 0.000 0.253 369 N C -2.110 173.322 175.510 -0.131 0.000 0.970 369 N CA -1.938 51.094 53.050 -0.030 0.000 0.940 369 N CB 1.578 40.078 38.487 0.020 0.000 1.128 369 N HN 0.089 nan 8.380 nan 0.000 0.503 370 P HA 0.204 nan 4.420 nan 0.000 0.255 370 P C 0.717 177.518 177.300 -0.832 0.000 1.248 370 P CA 0.371 63.108 63.100 -0.605 0.000 0.807 370 P CB 0.863 32.337 31.700 -0.377 0.000 1.150 371 I N -2.141 118.247 120.570 -0.302 0.000 4.033 371 I HA 0.123 4.292 4.170 -0.001 0.000 0.296 371 I C 0.839 177.185 176.117 0.382 0.000 1.210 371 I CA 0.230 61.544 61.300 0.024 0.000 1.341 371 I CB 0.446 38.486 38.000 0.068 0.000 1.369 371 I HN -0.167 nan 8.210 nan 0.000 0.453 372 S N 1.197 117.090 115.700 0.320 0.000 2.501 372 S HA 0.775 5.245 4.470 -0.001 0.000 0.301 372 S C -0.783 173.987 174.600 0.282 0.000 1.096 372 S CA -0.436 57.943 58.200 0.300 0.000 1.063 372 S CB 0.962 64.316 63.200 0.256 0.000 1.042 372 S HN 0.075 nan 8.310 nan 0.000 0.494 373 L N 2.468 123.801 121.223 0.183 0.000 2.309 373 L HA 0.957 5.296 4.340 -0.001 0.000 0.261 373 L C -0.555 176.354 176.870 0.066 0.000 1.021 373 L CA -0.845 54.049 54.840 0.089 0.000 0.823 373 L CB 2.185 44.227 42.059 -0.028 0.000 1.366 373 L HN 0.782 nan 8.230 nan 0.000 0.423 374 A N 2.183 125.020 122.820 0.027 0.000 2.488 374 A HA 0.770 5.090 4.320 -0.001 0.000 0.295 374 A C -0.916 176.699 177.584 0.052 0.000 1.045 374 A CA -0.569 51.493 52.037 0.042 0.000 0.703 374 A CB 1.700 20.620 19.000 -0.133 0.000 1.271 374 A HN 0.677 nan 8.150 nan 0.000 0.400 375 M N 1.149 120.813 119.600 0.107 0.000 2.472 375 M HA 0.718 5.198 4.480 -0.001 0.000 0.331 375 M C 0.383 176.769 176.300 0.143 0.000 1.170 375 M CA -0.329 55.026 55.300 0.090 0.000 1.009 375 M CB 1.417 34.051 32.600 0.057 0.000 1.672 375 M HN 0.748 nan 8.290 nan 0.000 0.453 376 T N 0.285 114.913 114.554 0.123 0.000 2.900 376 T HA 0.363 4.713 4.350 -0.001 0.000 0.307 376 T C 0.232 174.997 174.700 0.108 0.000 1.065 376 T CA -0.515 61.675 62.100 0.151 0.000 1.105 376 T CB 0.449 69.387 68.868 0.116 0.000 0.979 376 T HN 0.760 nan 8.240 nan 0.000 0.544 377 L N 1.301 122.587 121.223 0.105 0.000 3.288 377 L HA 0.300 4.640 4.340 -0.001 0.000 0.293 377 L C 1.724 178.624 176.870 0.050 0.000 1.294 377 L CA -0.426 54.446 54.840 0.053 0.000 1.006 377 L CB 0.087 42.160 42.059 0.024 0.000 1.407 377 L HN 0.728 nan 8.230 nan 0.000 0.592 378 K N -0.034 120.403 120.400 0.063 0.000 2.209 378 K HA -0.126 4.193 4.320 -0.001 0.000 0.204 378 K C 2.112 178.748 176.600 0.060 0.000 1.048 378 K CA 1.882 58.203 56.287 0.055 0.000 0.940 378 K CB -0.069 32.462 32.500 0.051 0.000 0.729 378 K HN 0.417 nan 8.250 nan 0.000 0.451 379 T N -0.621 113.969 114.554 0.061 0.000 2.995 379 T HA -0.044 4.305 4.350 -0.001 0.000 0.269 379 T C 1.790 176.540 174.700 0.084 0.000 1.091 379 T CA 0.848 62.993 62.100 0.075 0.000 1.128 379 T CB -0.402 68.505 68.868 0.065 0.000 0.891 379 T HN 0.403 nan 8.240 nan 0.000 0.492 380 I N -1.834 118.766 120.570 0.049 0.000 3.941 380 I HA 0.429 4.599 4.170 -0.001 0.000 0.321 380 I C 0.327 176.487 176.117 0.071 0.000 1.284 380 I CA -0.506 60.800 61.300 0.010 0.000 1.226 380 I CB -0.036 37.942 38.000 -0.036 0.000 1.045 380 I HN -0.079 nan 8.210 nan 0.000 0.420 381 D N 1.444 121.892 120.400 0.079 0.000 2.354 381 D HA 0.446 5.085 4.640 -0.001 0.000 0.247 381 D C 1.246 177.582 176.300 0.059 0.000 1.138 381 D CA 1.230 55.258 54.000 0.047 0.000 0.958 381 D CB 1.271 42.077 40.800 0.010 0.000 1.144 381 D HN 0.387 nan 8.370 nan 0.000 0.458 382 G N 1.030 109.787 108.800 -0.071 0.000 2.143 382 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.249 382 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.249 382 G C 0.583 175.275 174.900 -0.347 0.000 0.981 382 G CA 0.600 45.557 45.100 -0.238 0.000 0.665 382 G HN 0.633 nan 8.290 nan 0.000 0.528 383 H N -0.368 118.586 119.070 -0.194 0.000 2.586 383 H HA 0.288 4.843 4.556 -0.001 0.000 0.273 383 H C 1.265 176.600 175.328 0.012 0.000 0.997 383 H CA 0.292 56.303 56.048 -0.062 0.000 1.177 383 H CB 0.136 29.890 29.762 -0.015 0.000 1.471 383 H HN 0.636 nan 8.280 nan 0.000 0.538 384 H N 0.706 119.827 119.070 0.085 0.000 2.770 384 H HA -0.140 4.416 4.556 -0.001 0.000 0.309 384 H C -0.313 175.045 175.328 0.050 0.000 1.206 384 H CA 1.130 57.207 56.048 0.049 0.000 1.147 384 H CB -1.433 28.346 29.762 0.027 0.000 1.422 384 H HN 0.726 nan 8.280 nan 0.000 0.420 385 D N -1.110 119.353 120.400 0.106 0.000 2.538 385 D HA 0.070 4.709 4.640 -0.001 0.000 0.241 385 D C 0.627 176.947 176.300 0.033 0.000 1.297 385 D CA -0.347 53.696 54.000 0.072 0.000 0.804 385 D CB 0.511 41.352 40.800 0.068 0.000 1.122 385 D HN 0.049 nan 8.370 nan 0.000 0.519 386 K N 0.207 120.621 120.400 0.024 0.000 3.069 386 K HA -0.194 4.126 4.320 -0.001 0.000 0.267 386 K C 1.187 177.781 176.600 -0.010 0.000 1.082 386 K CA 0.779 57.068 56.287 0.003 0.000 0.782 386 K CB -2.302 30.201 32.500 0.005 0.000 1.230 386 K HN 0.413 nan 8.250 nan 0.000 0.488 387 A N 0.226 123.038 122.820 -0.013 0.000 1.933 387 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 387 A C 2.240 179.805 177.584 -0.032 0.000 1.175 387 A CA 1.810 53.831 52.037 -0.027 0.000 0.628 387 A CB -0.105 18.869 19.000 -0.042 0.000 0.814 387 A HN 0.138 nan 8.150 nan 0.000 0.444 388 V N -0.452 119.441 119.914 -0.036 0.000 2.295 388 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 388 V C 2.753 178.816 176.094 -0.053 0.000 1.049 388 V CA 2.535 64.805 62.300 -0.050 0.000 1.024 388 V CB -1.268 30.514 31.823 -0.069 0.000 0.648 388 V HN 0.591 nan 8.190 nan 0.000 0.447 389 T N -0.751 113.773 114.554 -0.050 0.000 2.746 389 T HA -0.289 4.060 4.350 -0.001 0.000 0.267 389 T C 1.916 176.596 174.700 -0.033 0.000 1.039 389 T CA 1.941 64.012 62.100 -0.048 0.000 1.142 389 T CB -0.251 68.592 68.868 -0.042 0.000 0.866 389 T HN 0.562 nan 8.240 nan 0.000 0.444 390 Q N 0.195 119.981 119.800 -0.024 0.000 2.096 390 Q HA -0.157 4.182 4.340 -0.001 0.000 0.204 390 Q C 2.325 178.322 176.000 -0.006 0.000 0.982 390 Q CA 1.368 57.163 55.803 -0.013 0.000 0.850 390 Q CB -0.313 28.417 28.738 -0.013 0.000 0.901 390 Q HN 0.408 nan 8.270 nan 0.000 0.422 391 L N 0.450 121.665 121.223 -0.014 0.000 2.012 391 L HA -0.097 4.242 4.340 -0.001 0.000 0.210 391 L C 2.149 179.029 176.870 0.016 0.000 1.073 391 L CA 2.539 57.374 54.840 -0.007 0.000 0.748 391 L CB -1.110 40.935 42.059 -0.022 0.000 0.891 391 L HN 0.307 nan 8.230 nan 0.000 0.431 392 G N -1.602 107.201 108.800 0.006 0.000 2.446 392 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.217 392 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.217 392 G C 1.570 176.509 174.900 0.065 0.000 1.168 392 G CA 0.982 46.096 45.100 0.023 0.000 0.771 392 G HN 0.505 nan 8.290 nan 0.000 0.551 393 S N 0.477 116.200 115.700 0.038 0.000 2.368 393 S HA -0.098 4.372 4.470 -0.001 0.000 0.225 393 S C 2.410 177.087 174.600 0.129 0.000 1.030 393 S CA 1.549 59.791 58.200 0.069 0.000 0.999 393 S CB -0.280 62.931 63.200 0.020 0.000 0.844 393 S HN 0.372 nan 8.310 nan 0.000 0.459 394 M N 0.760 120.407 119.600 0.078 0.000 2.117 394 M HA -0.072 4.407 4.480 -0.001 0.000 0.262 394 M C 1.981 178.330 176.300 0.082 0.000 1.065 394 M CA 1.328 56.669 55.300 0.067 0.000 1.114 394 M CB -0.619 31.999 32.600 0.030 0.000 1.361 394 M HN 0.241 nan 8.290 nan 0.000 0.408 395 L N -1.088 120.194 121.223 0.099 0.000 2.017 395 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 395 L C 2.486 179.429 176.870 0.122 0.000 1.073 395 L CA 1.336 56.244 54.840 0.113 0.000 0.745 395 L CB -0.682 41.466 42.059 0.148 0.000 0.894 395 L HN 0.206 nan 8.230 nan 0.000 0.432 396 F N 1.221 121.183 119.950 0.021 0.000 2.095 396 F HA -0.297 4.229 4.527 -0.000 0.000 0.298 396 F C 2.796 178.605 175.800 0.014 0.000 1.104 396 F CA 2.099 60.107 58.000 0.014 0.000 1.232 396 F CB -0.405 38.598 39.000 0.004 0.000 0.987 396 F HN 0.180 nan 8.300 nan 0.000 0.475 397 T N -1.732 112.912 114.554 0.151 0.000 2.929 397 T HA -0.164 4.186 4.350 -0.001 0.000 0.271 397 T C 1.782 176.452 174.700 -0.049 0.000 1.085 397 T CA 1.120 63.248 62.100 0.047 0.000 1.125 397 T CB -0.572 68.361 68.868 0.108 0.000 0.874 397 T HN 0.355 nan 8.240 nan 0.000 0.494 398 R N 1.089 121.569 120.500 -0.033 0.000 2.391 398 R HA 0.250 4.590 4.340 -0.001 0.000 0.249 398 R C 0.313 176.575 176.300 -0.064 0.000 0.957 398 R CA -0.058 56.022 56.100 -0.034 0.000 1.093 398 R CB -0.166 30.135 30.300 0.002 0.000 1.156 398 R HN 0.524 nan 8.270 nan 0.000 0.526 399 Q N -0.818 118.890 119.800 -0.154 0.000 2.494 399 Q HA -0.144 4.195 4.340 -0.001 0.000 0.272 399 Q C -0.849 175.094 176.000 -0.094 0.000 1.145 399 Q CA 0.438 56.134 55.803 -0.178 0.000 0.943 399 Q CB -1.750 26.915 28.738 -0.121 0.000 1.338 399 Q HN 0.111 nan 8.270 nan 0.000 0.492 400 V N 1.965 121.849 119.914 -0.049 0.000 2.385 400 V HA 0.295 4.414 4.120 -0.001 0.000 0.269 400 V C 0.710 176.798 176.094 -0.009 0.000 1.043 400 V CA 0.336 62.647 62.300 0.019 0.000 0.906 400 V CB 1.416 33.321 31.823 0.136 0.000 0.995 400 V HN 0.369 nan 8.190 nan 0.000 0.467 401 S N 3.132 118.815 115.700 -0.028 0.000 2.608 401 S HA 0.786 5.255 4.470 -0.001 0.000 0.291 401 S C 1.001 175.585 174.600 -0.026 0.000 1.146 401 S CA 0.090 58.292 58.200 0.004 0.000 1.043 401 S CB 1.694 64.893 63.200 -0.002 0.000 1.037 401 S HN 1.803 nan 8.310 nan 0.000 0.520 402 G N 0.236 109.037 108.800 0.002 0.000 2.225 402 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.254 402 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.254 402 G C 0.358 175.213 174.900 -0.075 0.000 0.988 402 G CA -0.033 45.047 45.100 -0.034 0.000 0.625 402 G HN 1.598 nan 8.290 nan 0.000 0.527 403 A N 0.102 122.867 122.820 -0.091 0.000 2.407 403 A HA 0.738 5.058 4.320 -0.001 0.000 0.248 403 A C 0.617 178.169 177.584 -0.054 0.000 1.082 403 A CA 0.322 52.306 52.037 -0.089 0.000 0.785 403 A CB 0.310 19.300 19.000 -0.017 0.000 1.020 403 A HN 0.531 nan 8.150 nan 0.000 0.489 404 R N 1.153 121.611 120.500 -0.070 0.000 2.435 404 R HA 0.494 4.833 4.340 -0.001 0.000 0.308 404 R C -0.615 175.617 176.300 -0.113 0.000 0.975 404 R CA -0.261 55.758 56.100 -0.135 0.000 0.867 404 R CB 1.968 32.104 30.300 -0.274 0.000 1.171 404 R HN 0.790 nan 8.270 nan 0.000 0.470 405 A N 3.484 126.235 122.820 -0.115 0.000 2.343 405 A HA 0.360 4.679 4.320 -0.001 0.000 0.305 405 A C -0.082 177.355 177.584 -0.245 0.000 1.308 405 A CA -0.448 51.506 52.037 -0.138 0.000 0.949 405 A CB 0.501 19.453 19.000 -0.079 0.000 1.148 405 A HN 0.453 nan 8.150 nan 0.000 0.545 406 V N 6.800 126.460 119.914 -0.422 0.000 2.333 406 V HA 0.347 4.466 4.120 -0.001 0.000 0.274 406 V C -1.965 173.852 176.094 -0.462 0.000 1.028 406 V CA -1.283 60.680 62.300 -0.561 0.000 0.851 406 V CB 1.122 32.342 31.823 -1.004 0.000 1.000 406 V HN 0.834 nan 8.190 nan 0.000 0.456 407 P HA 0.417 nan 4.420 nan 0.000 0.280 407 P C -0.591 176.640 177.300 -0.116 0.000 1.272 407 P CA -0.641 62.366 63.100 -0.155 0.000 0.819 407 P CB 1.405 33.047 31.700 -0.097 0.000 1.122 408 L N -0.197 120.996 121.223 -0.049 0.000 2.418 408 L HA 0.432 4.772 4.340 -0.001 0.000 0.265 408 L C 1.670 178.543 176.870 0.006 0.000 1.143 408 L CA 0.392 55.232 54.840 -0.001 0.000 0.809 408 L CB -0.292 41.781 42.059 0.022 0.000 1.124 408 L HN 0.817 nan 8.230 nan 0.000 0.456 409 G N 1.042 109.860 108.800 0.031 0.000 2.143 409 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.249 409 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.249 409 G C 0.182 175.110 174.900 0.047 0.000 0.981 409 G CA -0.396 44.728 45.100 0.041 0.000 0.665 409 G HN 0.620 nan 8.290 nan 0.000 0.528 410 N N 0.034 118.765 118.700 0.052 0.000 2.454 410 N HA 0.377 5.117 4.740 -0.001 0.000 0.260 410 N C 0.146 175.728 175.510 0.120 0.000 1.218 410 N CA 0.318 53.417 53.050 0.082 0.000 0.904 410 N CB 1.471 40.025 38.487 0.111 0.000 1.065 410 N HN 0.193 nan 8.380 nan 0.000 0.462 411 V N 2.593 122.557 119.914 0.084 0.000 2.448 411 V HA 0.395 4.515 4.120 -0.001 0.000 0.295 411 V C -0.019 176.085 176.094 0.017 0.000 1.025 411 V CA -0.644 61.698 62.300 0.069 0.000 0.859 411 V CB 1.461 33.303 31.823 0.031 0.000 0.988 411 V HN 0.580 nan 8.190 nan 0.000 0.431 412 Q N 2.344 122.130 119.800 -0.023 0.000 2.315 412 Q HA 0.525 4.865 4.340 -0.001 0.000 0.273 412 Q C -1.202 174.724 176.000 -0.123 0.000 1.053 412 Q CA -0.460 55.232 55.803 -0.185 0.000 0.817 412 Q CB 2.470 30.875 28.738 -0.555 0.000 1.326 412 Q HN 0.724 nan 8.270 nan 0.000 0.423 413 T N 2.605 117.100 114.554 -0.099 0.000 2.749 413 T HA 0.499 4.849 4.350 -0.001 0.000 0.287 413 T C -0.929 173.766 174.700 -0.009 0.000 0.970 413 T CA -0.364 61.711 62.100 -0.042 0.000 0.980 413 T CB 0.879 69.721 68.868 -0.043 0.000 0.924 413 T HN 0.342 nan 8.240 nan 0.000 0.456 414 V N 3.080 123.053 119.914 0.099 0.000 2.444 414 V HA 0.328 4.447 4.120 -0.001 0.000 0.294 414 V C 0.399 176.686 176.094 0.322 0.000 1.022 414 V CA -0.963 61.438 62.300 0.167 0.000 0.850 414 V CB 1.468 33.400 31.823 0.183 0.000 0.992 414 V HN 1.076 nan 8.190 nan 0.000 0.426 415 S N 4.048 119.899 115.700 0.250 0.000 3.447 415 S HA -0.189 4.281 4.470 -0.001 0.000 0.371 415 S C 1.441 176.204 174.600 0.272 0.000 0.951 415 S CA 1.417 59.766 58.200 0.249 0.000 1.269 415 S CB -1.227 62.138 63.200 0.275 0.000 0.919 415 S HN 2.207 nan 8.310 nan 0.000 0.516 416 G N -0.074 108.835 108.800 0.181 0.000 2.199 416 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.254 416 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.254 416 G C -0.209 174.789 174.900 0.163 0.000 0.982 416 G CA 0.518 45.703 45.100 0.143 0.000 0.632 416 G HN 1.079 nan 8.290 nan 0.000 0.529 417 H N 0.791 119.902 119.070 0.069 0.000 2.505 417 H HA 0.648 5.204 4.556 -0.001 0.000 0.338 417 H C -0.250 174.915 175.328 -0.271 0.000 1.057 417 H CA 0.156 56.118 56.048 -0.143 0.000 1.202 417 H CB 1.292 30.886 29.762 -0.280 0.000 1.466 417 H HN 0.040 nan 8.280 nan 0.000 0.499 418 T N 6.685 120.814 114.554 -0.707 0.000 2.729 418 T HA 0.190 4.540 4.350 -0.001 0.000 0.296 418 T C -0.491 173.830 174.700 -0.630 0.000 0.928 418 T CA -0.209 61.606 62.100 -0.475 0.000 1.045 418 T CB -0.394 68.309 68.868 -0.276 0.000 0.902 418 T HN 0.322 nan 8.240 nan 0.000 0.500 419 F N 3.505 123.353 119.950 -0.170 0.000 2.391 419 F HA 0.377 4.904 4.527 0.000 0.000 0.359 419 F C 1.289 177.128 175.800 0.065 0.000 1.122 419 F CA -0.967 57.063 58.000 0.050 0.000 1.120 419 F CB 0.788 39.960 39.000 0.287 0.000 1.142 419 F HN 0.219 nan 8.300 nan 0.000 0.483 420 R N 1.555 122.179 120.500 0.206 0.000 2.410 420 R HA 0.463 4.802 4.340 -0.001 0.000 0.288 420 R C 0.857 177.276 176.300 0.199 0.000 1.051 420 R CA -0.065 56.130 56.100 0.158 0.000 1.021 420 R CB 0.993 31.346 30.300 0.088 0.000 1.032 420 R HN 0.945 nan 8.270 nan 0.000 0.481 421 G N 2.407 111.300 108.800 0.156 0.000 2.221 421 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.265 421 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.265 421 G C -0.113 174.844 174.900 0.095 0.000 1.041 421 G CA -0.097 45.073 45.100 0.116 0.000 0.807 421 G HN 0.594 nan 8.290 nan 0.000 0.502 422 F N 0.047 120.005 119.950 0.014 0.000 2.608 422 F HA 0.427 4.954 4.527 -0.000 0.000 0.380 422 F C 1.633 177.340 175.800 -0.154 0.000 1.083 422 F CA 1.522 59.489 58.000 -0.054 0.000 1.266 422 F CB 0.253 39.235 39.000 -0.030 0.000 1.076 422 F HN 0.366 nan 8.300 nan 0.000 0.574 423 M N 1.936 120.897 119.600 -1.064 0.000 3.026 423 M HA -0.242 4.237 4.480 -0.001 0.000 0.215 423 M C 1.155 176.953 176.300 -0.837 0.000 0.574 423 M CA 1.285 56.049 55.300 -0.894 0.000 0.824 423 M CB -1.491 30.773 32.600 -0.560 0.000 2.936 423 M HN 0.637 nan 8.290 nan 0.000 0.296 424 S N -0.643 114.667 115.700 -0.649 0.000 2.540 424 S HA 0.165 4.635 4.470 -0.001 0.000 0.218 424 S C 0.663 174.985 174.600 -0.464 0.000 0.977 424 S CA 0.460 58.380 58.200 -0.467 0.000 0.918 424 S CB -0.219 62.922 63.200 -0.099 0.000 0.806 424 S HN 0.601 nan 8.310 nan 0.000 0.496 425 H N 0.279 119.335 119.070 -0.023 0.000 2.958 425 H HA -0.135 4.420 4.556 -0.001 0.000 0.274 425 H C 0.297 175.672 175.328 0.078 0.000 1.184 425 H CA 0.911 56.969 56.048 0.016 0.000 1.143 425 H CB -2.278 27.469 29.762 -0.025 0.000 1.297 425 H HN 0.894 nan 8.280 nan 0.000 0.356 426 A N -0.317 122.594 122.820 0.151 0.000 2.605 426 A HA 0.446 4.765 4.320 -0.001 0.000 0.294 426 A C 0.164 177.849 177.584 0.168 0.000 1.062 426 A CA -0.227 51.918 52.037 0.180 0.000 0.682 426 A CB 1.189 20.328 19.000 0.231 0.000 1.278 426 A HN -0.064 nan 8.150 nan 0.000 0.410 427 D N 0.264 120.755 120.400 0.151 0.000 2.224 427 D HA 0.017 4.656 4.640 -0.001 0.000 0.205 427 D C 0.218 176.587 176.300 0.114 0.000 0.965 427 D CA 1.739 55.815 54.000 0.128 0.000 0.852 427 D CB 0.063 40.924 40.800 0.101 0.000 0.947 427 D HN 0.588 nan 8.370 nan 0.000 0.494 428 N N -0.748 118.026 118.700 0.124 0.000 2.646 428 N HA 0.047 4.786 4.740 -0.001 0.000 0.296 428 N C -1.082 174.491 175.510 0.106 0.000 1.886 428 N CA -0.405 52.703 53.050 0.097 0.000 0.855 428 N CB 0.659 39.179 38.487 0.055 0.000 1.336 428 N HN -0.029 nan 8.380 nan 0.000 0.496 429 Y N 1.687 122.027 120.300 0.068 0.000 2.610 429 Y HA 0.108 4.657 4.550 -0.001 0.000 0.332 429 Y C -1.267 174.680 175.900 0.078 0.000 1.201 429 Y CA -1.127 57.026 58.100 0.087 0.000 1.465 429 Y CB 0.802 39.348 38.460 0.143 0.000 1.283 429 Y HN 0.275 nan 8.280 nan 0.000 0.563 430 P HA -0.067 nan 4.420 nan 0.000 0.220 430 P C -0.608 176.644 177.300 -0.079 0.000 1.148 430 P CA 1.419 64.348 63.100 -0.285 0.000 0.803 430 P CB -0.001 31.474 31.700 -0.374 0.000 0.782 431 C N -4.585 114.761 119.300 0.076 0.000 3.288 431 C HA 0.849 5.309 4.460 -0.001 0.000 0.318 431 C C -0.215 174.970 174.990 0.325 0.000 1.356 431 C CA -1.544 57.580 59.018 0.178 0.000 1.359 431 C CB 1.062 28.891 27.740 0.149 0.000 1.688 431 C HN 0.229 nan 8.230 nan 0.000 0.467 432 A N 1.012 123.927 122.820 0.159 0.000 2.351 432 A HA 0.799 5.119 4.320 -0.001 0.000 0.257 432 A C -0.637 177.030 177.584 0.139 0.000 1.087 432 A CA 0.070 52.126 52.037 0.033 0.000 0.798 432 A CB 0.097 19.076 19.000 -0.036 0.000 1.033 432 A HN 2.052 nan 8.150 nan 0.000 0.488 433 Y N -1.479 118.842 120.300 0.036 0.000 2.689 433 Y HA 0.685 5.234 4.550 -0.001 0.000 0.333 433 Y C -1.518 174.383 175.900 0.001 0.000 1.208 433 Y CA -1.670 56.448 58.100 0.029 0.000 1.055 433 Y CB 0.983 39.471 38.460 0.046 0.000 1.304 433 Y HN 0.611 nan 8.280 nan 0.000 0.455 434 L N 2.468 123.841 121.223 0.250 0.000 2.325 434 L HA 0.550 4.889 4.340 -0.001 0.000 0.281 434 L C -1.216 175.803 176.870 0.248 0.000 1.004 434 L CA -0.436 54.505 54.840 0.167 0.000 0.823 434 L CB 1.459 43.599 42.059 0.135 0.000 1.236 434 L HN 0.828 nan 8.230 nan 0.000 0.415 435 N N 3.020 121.838 118.700 0.198 0.000 2.524 435 N HA 0.804 5.544 4.740 -0.001 0.000 0.283 435 N C -0.923 174.630 175.510 0.073 0.000 1.142 435 N CA -0.061 53.083 53.050 0.157 0.000 0.984 435 N CB 1.226 39.781 38.487 0.114 0.000 1.155 435 N HN 0.790 nan 8.380 nan 0.000 0.467 436 A N 0.671 123.523 122.820 0.052 0.000 2.609 436 A HA 0.855 5.175 4.320 -0.001 0.000 0.291 436 A C -1.709 175.883 177.584 0.013 0.000 1.096 436 A CA -0.583 51.404 52.037 -0.082 0.000 0.684 436 A CB 1.424 20.288 19.000 -0.228 0.000 1.282 436 A HN 0.670 nan 8.150 nan 0.000 0.412 437 A N -0.413 122.403 122.820 -0.007 0.000 2.539 437 A HA 0.862 5.181 4.320 -0.001 0.000 0.296 437 A C -0.384 177.252 177.584 0.087 0.000 1.073 437 A CA 0.048 52.148 52.037 0.105 0.000 0.700 437 A CB 1.416 20.508 19.000 0.153 0.000 1.296 437 A HN 2.443 nan 8.150 nan 0.000 0.405 438 A N 1.108 124.048 122.820 0.199 0.000 2.690 438 A HA 0.686 5.005 4.320 -0.001 0.000 0.342 438 A C 0.394 178.075 177.584 0.162 0.000 1.410 438 A CA 0.325 52.473 52.037 0.185 0.000 0.958 438 A CB -0.611 18.561 19.000 0.286 0.000 1.153 438 A HN 2.067 nan 8.150 nan 0.000 0.497 439 A N 1.978 124.854 122.820 0.092 0.000 2.269 439 A HA 0.696 5.015 4.320 -0.001 0.000 0.319 439 A C 0.374 177.975 177.584 0.029 0.000 1.110 439 A CA -0.689 51.386 52.037 0.064 0.000 0.847 439 A CB 0.304 19.322 19.000 0.030 0.000 1.161 439 A HN 1.001 nan 8.150 nan 0.000 0.497 440 I N 0.507 121.079 120.570 0.003 0.000 2.845 440 I HA 0.271 4.440 4.170 -0.001 0.000 0.296 440 I C 1.346 177.460 176.117 -0.007 0.000 1.216 440 I CA 2.058 63.341 61.300 -0.028 0.000 1.438 440 I CB 0.412 38.370 38.000 -0.069 0.000 1.342 440 I HN 1.259 nan 8.210 nan 0.000 0.577 441 G N 5.555 114.350 108.800 -0.008 0.000 2.175 441 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.244 441 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.244 441 G C 0.411 175.320 174.900 0.014 0.000 0.982 441 G CA 0.205 45.310 45.100 0.008 0.000 0.641 441 G HN 0.635 nan 8.290 nan 0.000 0.527 442 M N 1.052 120.663 119.600 0.019 0.000 2.249 442 M HA 0.428 4.907 4.480 -0.001 0.000 0.340 442 M C 0.461 176.780 176.300 0.030 0.000 1.166 442 M CA 0.621 55.938 55.300 0.029 0.000 1.115 442 M CB 0.274 32.901 32.600 0.046 0.000 1.606 442 M HN 0.191 nan 8.290 nan 0.000 0.448 443 K N 3.808 124.228 120.400 0.034 0.000 2.221 443 K HA 0.340 4.659 4.320 -0.001 0.000 0.243 443 K C 0.705 177.334 176.600 0.048 0.000 0.968 443 K CA -0.795 55.508 56.287 0.027 0.000 0.846 443 K CB 1.667 34.179 32.500 0.020 0.000 1.141 443 K HN 0.789 nan 8.250 nan 0.000 0.434 444 M N 1.253 120.860 119.600 0.012 0.000 2.106 444 M HA -0.303 4.177 4.480 -0.001 0.000 0.259 444 M C 2.253 178.617 176.300 0.107 0.000 1.068 444 M CA 2.014 57.326 55.300 0.021 0.000 1.100 444 M CB -0.266 32.261 32.600 -0.123 0.000 1.351 444 M HN 0.633 nan 8.290 nan 0.000 0.404 445 Q N -0.463 119.376 119.800 0.065 0.000 2.170 445 Q HA -0.200 4.139 4.340 -0.001 0.000 0.203 445 Q C 1.122 177.177 176.000 0.093 0.000 0.976 445 Q CA 1.617 57.465 55.803 0.074 0.000 0.858 445 Q CB -0.431 28.334 28.738 0.045 0.000 0.907 445 Q HN 0.461 nan 8.270 nan 0.000 0.433 446 D N 0.943 121.395 120.400 0.086 0.000 2.104 446 D HA -0.133 4.506 4.640 -0.001 0.000 0.194 446 D C 2.140 178.526 176.300 0.144 0.000 0.994 446 D CA 1.635 55.685 54.000 0.084 0.000 0.830 446 D CB -0.030 40.800 40.800 0.049 0.000 0.959 446 D HN 0.191 nan 8.370 nan 0.000 0.452 447 V N 1.848 121.872 119.914 0.183 0.000 2.261 447 V HA -0.214 3.906 4.120 -0.001 0.000 0.246 447 V C 2.009 178.233 176.094 0.216 0.000 1.047 447 V CA 1.778 64.220 62.300 0.237 0.000 1.015 447 V CB -0.432 31.557 31.823 0.277 0.000 0.642 447 V HN 0.042 nan 8.190 nan 0.000 0.446 448 D N 0.088 120.610 120.400 0.203 0.000 2.097 448 D HA -0.116 4.523 4.640 -0.001 0.000 0.195 448 D C 2.177 178.534 176.300 0.095 0.000 0.989 448 D CA 1.222 55.306 54.000 0.141 0.000 0.827 448 D CB -0.266 40.623 40.800 0.147 0.000 0.966 448 D HN 0.326 nan 8.370 nan 0.000 0.456 449 L N -0.101 121.187 121.223 0.109 0.000 2.056 449 L HA -0.146 4.193 4.340 -0.001 0.000 0.207 449 L C 2.393 179.335 176.870 0.119 0.000 1.078 449 L CA 0.665 55.559 54.840 0.089 0.000 0.749 449 L CB -0.424 41.684 42.059 0.081 0.000 0.901 449 L HN -0.026 nan 8.230 nan 0.000 0.433 450 F N 1.021 120.971 119.950 0.001 0.000 2.065 450 F HA -0.290 4.236 4.527 -0.001 0.000 0.298 450 F C 2.377 178.163 175.800 -0.022 0.000 1.112 450 F CA 1.554 59.547 58.000 -0.011 0.000 1.212 450 F CB -0.282 38.712 39.000 -0.009 0.000 0.975 450 F HN -0.111 nan 8.300 nan 0.000 0.476 451 I N 0.827 121.266 120.570 -0.218 0.000 2.179 451 I HA -0.298 3.872 4.170 -0.001 0.000 0.242 451 I C 2.490 178.476 176.117 -0.219 0.000 1.088 451 I CA 1.684 62.781 61.300 -0.339 0.000 1.357 451 I CB -1.416 36.482 38.000 -0.170 0.000 1.051 451 I HN 0.268 nan 8.210 nan 0.000 0.409 452 K N 1.116 121.457 120.400 -0.099 0.000 2.026 452 K HA -0.189 4.130 4.320 -0.001 0.000 0.208 452 K C 2.313 178.869 176.600 -0.072 0.000 1.048 452 K CA 1.491 57.742 56.287 -0.059 0.000 0.929 452 K CB 0.005 32.496 32.500 -0.016 0.000 0.713 452 K HN 0.201 nan 8.250 nan 0.000 0.439 453 R N 0.315 120.774 120.500 -0.070 0.000 2.075 453 R HA -0.112 4.228 4.340 -0.001 0.000 0.232 453 R C 2.411 178.645 176.300 -0.110 0.000 1.126 453 R CA 1.153 57.220 56.100 -0.055 0.000 0.963 453 R CB -0.436 29.866 30.300 0.002 0.000 0.858 453 R HN 0.177 nan 8.270 nan 0.000 0.435 454 L N 1.596 122.678 121.223 -0.235 0.000 2.012 454 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 454 L C 1.710 178.419 176.870 -0.269 0.000 1.073 454 L CA 2.108 56.761 54.840 -0.312 0.000 0.748 454 L CB -0.707 40.970 42.059 -0.636 0.000 0.891 454 L HN 0.100 nan 8.230 nan 0.000 0.431 455 D N -0.673 119.591 120.400 -0.227 0.000 2.106 455 D HA -0.256 4.383 4.640 -0.001 0.000 0.191 455 D C 2.114 178.395 176.300 -0.031 0.000 0.997 455 D CA 1.885 55.824 54.000 -0.103 0.000 0.834 455 D CB -0.009 40.795 40.800 0.007 0.000 0.956 455 D HN 0.376 nan 8.370 nan 0.000 0.448 456 K N -0.532 119.844 120.400 -0.039 0.000 2.026 456 K HA -0.105 4.215 4.320 -0.001 0.000 0.208 456 K C 2.507 179.093 176.600 -0.024 0.000 1.048 456 K CA 1.279 57.556 56.287 -0.016 0.000 0.929 456 K CB -0.363 32.126 32.500 -0.018 0.000 0.713 456 K HN 0.283 nan 8.250 nan 0.000 0.439 457 C N 1.098 120.368 119.300 -0.050 0.000 2.432 457 C HA -0.094 4.366 4.460 -0.001 0.000 0.277 457 C C 2.590 177.546 174.990 -0.056 0.000 1.249 457 C CA 0.596 59.586 59.018 -0.046 0.000 1.725 457 C CB -0.875 26.835 27.740 -0.050 0.000 2.028 457 C HN 0.414 nan 8.230 nan 0.000 0.477 458 L N 1.139 122.299 121.223 -0.105 0.000 2.042 458 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 458 L C 2.380 179.253 176.870 0.005 0.000 1.076 458 L CA 1.429 56.207 54.840 -0.103 0.000 0.749 458 L CB -0.780 41.092 42.059 -0.312 0.000 0.893 458 L HN 0.417 nan 8.230 nan 0.000 0.432 459 N N 0.339 119.074 118.700 0.058 0.000 2.104 459 N HA -0.167 4.572 4.740 -0.001 0.000 0.190 459 N C 1.871 177.391 175.510 0.017 0.000 1.024 459 N CA 1.418 54.507 53.050 0.065 0.000 0.853 459 N CB -0.298 38.230 38.487 0.067 0.000 1.008 459 N HN 0.321 nan 8.380 nan 0.000 0.424 460 I N 0.370 120.941 120.570 0.001 0.000 2.142 460 I HA -0.237 3.932 4.170 -0.001 0.000 0.240 460 I C 2.112 178.216 176.117 -0.021 0.000 1.078 460 I CA 0.830 62.125 61.300 -0.009 0.000 1.343 460 I CB -0.328 37.666 38.000 -0.010 0.000 1.046 460 I HN -0.087 nan 8.210 nan 0.000 0.405 461 V N 0.714 120.610 119.914 -0.030 0.000 2.287 461 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 461 V C 2.648 178.702 176.094 -0.068 0.000 1.053 461 V CA 1.737 64.007 62.300 -0.050 0.000 1.027 461 V CB -0.792 30.997 31.823 -0.057 0.000 0.646 461 V HN 0.359 nan 8.190 nan 0.000 0.447 462 R N 0.166 120.638 120.500 -0.047 0.000 2.096 462 R HA -0.146 4.194 4.340 -0.001 0.000 0.235 462 R C 2.262 178.537 176.300 -0.042 0.000 1.127 462 R CA 1.510 57.581 56.100 -0.049 0.000 0.968 462 R CB -0.703 29.595 30.300 -0.002 0.000 0.861 462 R HN 0.535 nan 8.270 nan 0.000 0.440 463 K N 1.240 121.625 120.400 -0.025 0.000 2.032 463 K HA -0.182 4.138 4.320 -0.001 0.000 0.209 463 K C 1.854 178.438 176.600 -0.026 0.000 1.048 463 K CA 1.791 58.066 56.287 -0.019 0.000 0.927 463 K CB 0.029 32.523 32.500 -0.011 0.000 0.712 463 K HN 0.223 nan 8.250 nan 0.000 0.441 464 E N 0.185 120.364 120.200 -0.035 0.000 2.085 464 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 464 E C 2.197 178.767 176.600 -0.049 0.000 0.994 464 E CA 1.352 57.731 56.400 -0.035 0.000 0.801 464 E CB 0.014 29.692 29.700 -0.036 0.000 0.743 464 E HN 0.423 nan 8.360 nan 0.000 0.453 465 Q N -0.162 119.581 119.800 -0.095 0.000 2.230 465 Q HA -0.064 4.276 4.340 -0.001 0.000 0.202 465 Q C 1.446 177.410 176.000 -0.061 0.000 0.963 465 Q CA 1.430 57.143 55.803 -0.151 0.000 0.866 465 Q CB 0.182 28.682 28.738 -0.397 0.000 0.931 465 Q HN 0.266 nan 8.270 nan 0.000 0.452 466 T N -1.505 113.028 114.554 -0.035 0.000 3.287 466 T HA 0.331 4.681 4.350 -0.001 0.000 0.253 466 T C 0.051 174.755 174.700 0.007 0.000 0.975 466 T CA -0.365 61.737 62.100 0.003 0.000 0.912 466 T CB -0.265 68.605 68.868 0.003 0.000 1.071 466 T HN 0.429 nan 8.240 nan 0.000 0.578 467 R N 0.000 120.503 120.500 0.006 0.000 2.786 467 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 467 R CA 0.000 56.105 56.100 0.008 0.000 0.921 467 R CB 0.000 30.309 30.300 0.015 0.000 0.687 467 R HN 0.000 nan 8.270 nan 0.000 0.535