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 2z8r_1_B DATA FIRST_RESID 38 DATA SEQUENCE AARQMEALNR GLVAVKTDGG IFVSWRFLGT ENASVLFNVY RDGQKLNAAP DATA SEQUENCE VKTTNYVDKN GSAGSTYTVR AVVNGTEQPA SEKASVWAQP YHSVPLDKPA DATA SEQUENCE GGTTPKGESY TYSANDASVG DVDGDGQYEL ILKWDPSNSK DNSQDGYTGD DATA SEQUENCE VLIDAYKLDG TKLWRINLGK NIRAGAHYTQ FMVYDLDGDG KAEVAMKTAD DATA SEQUENCE GTKDGTGKVI GNANADYRNE QGRVLSGPEY LTVFQGSTGK ELVTANFEPA DATA SEQUENCE RGNVSDWGDS YGNRVDRFLA GIAYLDGQRP SLIMTRGYYA KTMLVAYNFR DATA SEQUENCE DGKLSKLWTL DSSKSGNEAF AGQGNHNLSI ADVDGDGKDE IIFGSMAVDH DATA SEQUENCE DGKGMYSTGL GHGDALHTGD LDPGRPGLEV FQVHEDKNAK YGLSFRDAAT DATA SEQUENCE GKILWGVYAG KDVGRGMAAD IDPRYPGQEV WANGSLYSAK GVKIGSGVPS DATA SEQUENCE STNFGIWWDG DLLREQLDSN RIDKWDYQNG VSKNMLTASG AAANNGTKAT DATA SEQUENCE PTLQADLLGD WREEVVWRTE DSSALRIYTT TIPTEHRLYT LMHDPVYRLG DATA SEQUENCE IAWQNIAYNQ PPHTSFFLGD GMAEQPKPNM YTP 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 38 A HA 0.000 nan 4.320 nan 0.000 0.244 38 A C 0.000 177.634 177.584 0.084 0.000 1.274 38 A CA 0.000 52.072 52.037 0.058 0.000 0.836 38 A CB 0.000 19.021 19.000 0.035 0.000 0.831 39 A N 1.412 124.302 122.820 0.116 0.000 2.520 39 A HA 0.544 4.864 4.320 -0.000 0.000 0.245 39 A C 0.316 178.057 177.584 0.261 0.000 1.072 39 A CA 0.169 52.309 52.037 0.171 0.000 0.761 39 A CB -0.165 18.977 19.000 0.237 0.000 1.004 39 A HN 0.493 nan 8.150 nan 0.000 0.499 40 R N 1.467 122.027 120.500 0.099 0.000 2.428 40 R HA 0.228 4.568 4.340 -0.000 0.000 0.294 40 R C 0.154 176.281 176.300 -0.290 0.000 1.000 40 R CA -0.560 55.566 56.100 0.043 0.000 0.960 40 R CB 1.099 31.321 30.300 -0.131 0.000 1.076 40 R HN 0.908 nan 8.270 nan 0.000 0.475 41 Q N 3.635 123.225 119.800 -0.351 0.000 2.255 41 Q HA 0.022 4.362 4.340 -0.000 0.000 0.280 41 Q C -0.769 175.141 176.000 -0.150 0.000 1.068 41 Q CA 0.625 56.020 55.803 -0.681 0.000 0.911 41 Q CB 0.545 29.157 28.738 -0.211 0.000 1.157 41 Q HN 0.331 nan 8.270 nan 0.000 0.380 42 M N 2.612 122.066 119.600 -0.243 0.000 2.704 42 M HA 0.360 4.840 4.480 -0.000 0.000 0.284 42 M C -0.860 175.424 176.300 -0.028 0.000 1.275 42 M CA -0.786 54.482 55.300 -0.054 0.000 0.811 42 M CB 1.780 34.322 32.600 -0.097 0.000 1.741 42 M HN 0.569 nan 8.290 nan 0.000 0.458 43 E N 1.078 121.336 120.200 0.096 0.000 2.338 43 E HA 0.449 4.799 4.350 -0.000 0.000 0.272 43 E C -0.265 176.426 176.600 0.152 0.000 1.029 43 E CA -0.271 56.186 56.400 0.094 0.000 0.872 43 E CB 0.924 30.677 29.700 0.089 0.000 1.015 43 E HN 0.641 nan 8.360 nan 0.000 0.417 44 A N 4.710 127.570 122.820 0.067 0.000 2.444 44 A HA 0.251 4.570 4.320 -0.000 0.000 0.273 44 A C -0.430 177.177 177.584 0.038 0.000 1.136 44 A CA -0.045 52.034 52.037 0.070 0.000 0.799 44 A CB -0.172 18.854 19.000 0.043 0.000 1.081 44 A HN 0.540 nan 8.150 nan 0.000 0.509 45 L N 2.951 124.218 121.223 0.073 0.000 2.342 45 L HA 0.367 4.707 4.340 -0.000 0.000 0.271 45 L C 0.459 177.341 176.870 0.019 0.000 1.008 45 L CA -1.152 53.676 54.840 -0.020 0.000 0.818 45 L CB 1.718 43.736 42.059 -0.068 0.000 1.296 45 L HN 0.926 nan 8.230 nan 0.000 0.427 46 N N 1.135 119.828 118.700 -0.011 0.000 2.328 46 N HA 0.028 4.768 4.740 -0.000 0.000 0.277 46 N C 0.686 176.231 175.510 0.058 0.000 1.286 46 N CA -0.433 52.632 53.050 0.026 0.000 0.949 46 N CB 0.346 38.840 38.487 0.011 0.000 1.136 46 N HN 0.443 nan 8.380 nan 0.000 0.550 47 R N -1.312 119.231 120.500 0.071 0.000 2.193 47 R HA 0.074 4.414 4.340 -0.000 0.000 0.229 47 R C 0.967 177.339 176.300 0.121 0.000 1.110 47 R CA 1.347 57.510 56.100 0.104 0.000 0.988 47 R CB -1.174 29.161 30.300 0.058 0.000 0.871 47 R HN 0.942 nan 8.270 nan 0.000 0.458 48 G N 0.092 108.944 108.800 0.087 0.000 2.225 48 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 48 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 48 G C -0.165 174.803 174.900 0.114 0.000 1.024 48 G CA 0.393 45.551 45.100 0.097 0.000 0.784 48 G HN 0.385 nan 8.290 nan 0.000 0.507 49 L N 0.397 121.682 121.223 0.103 0.000 2.455 49 L HA 0.574 4.914 4.340 -0.000 0.000 0.272 49 L C 0.250 177.158 176.870 0.063 0.000 1.174 49 L CA 0.042 54.940 54.840 0.096 0.000 0.869 49 L CB 1.280 43.359 42.059 0.033 0.000 1.130 49 L HN 0.180 nan 8.230 nan 0.000 0.474 50 V N 4.358 124.273 119.914 0.002 0.000 2.841 50 V HA 0.844 4.964 4.120 -0.000 0.000 0.310 50 V C -0.403 175.544 176.094 -0.246 0.000 1.090 50 V CA -0.417 61.812 62.300 -0.118 0.000 0.930 50 V CB 1.539 33.236 31.823 -0.210 0.000 1.014 50 V HN 0.995 nan 8.190 nan 0.000 0.425 51 A N 3.660 126.291 122.820 -0.316 0.000 2.343 51 A HA 0.939 5.259 4.320 -0.000 0.000 0.308 51 A C -1.163 176.207 177.584 -0.356 0.000 1.092 51 A CA -0.551 51.304 52.037 -0.303 0.000 0.751 51 A CB 1.675 20.580 19.000 -0.159 0.000 1.203 51 A HN 0.812 nan 8.150 nan 0.000 0.452 52 V N 2.410 122.172 119.914 -0.253 0.000 2.760 52 V HA 0.334 4.454 4.120 -0.000 0.000 0.309 52 V C -0.103 175.982 176.094 -0.016 0.000 1.077 52 V CA -1.050 61.141 62.300 -0.181 0.000 0.910 52 V CB 2.071 33.716 31.823 -0.297 0.000 1.008 52 V HN 0.953 nan 8.190 nan 0.000 0.424 53 K N 1.475 121.896 120.400 0.036 0.000 2.485 53 K HA 0.434 4.754 4.320 -0.000 0.000 0.277 53 K C 0.043 176.662 176.600 0.032 0.000 0.990 53 K CA 0.395 56.711 56.287 0.049 0.000 0.994 53 K CB 0.649 33.184 32.500 0.060 0.000 0.906 53 K HN 0.813 nan 8.250 nan 0.000 0.488 54 T N -0.021 114.554 114.554 0.036 0.000 2.778 54 T HA 0.049 4.399 4.350 -0.000 0.000 0.293 54 T C 0.485 175.197 174.700 0.021 0.000 1.144 54 T CA -0.673 61.437 62.100 0.016 0.000 1.010 54 T CB 1.406 70.287 68.868 0.022 0.000 1.325 54 T HN 0.664 nan 8.240 nan 0.000 0.515 55 D N 1.024 121.429 120.400 0.008 0.000 2.108 55 D HA 0.030 4.670 4.640 -0.000 0.000 0.190 55 D C 1.477 177.786 176.300 0.016 0.000 0.995 55 D CA 2.080 56.087 54.000 0.011 0.000 0.834 55 D CB -0.611 40.191 40.800 0.003 0.000 0.967 55 D HN 0.618 nan 8.370 nan 0.000 0.446 56 G N -1.592 107.215 108.800 0.012 0.000 3.541 56 G HA2 0.504 4.464 3.960 -0.000 0.000 0.253 56 G HA3 0.504 4.464 3.960 -0.000 0.000 0.253 56 G C 0.626 175.540 174.900 0.024 0.000 1.017 56 G CA 0.252 45.359 45.100 0.012 0.000 1.832 56 G HN 0.685 nan 8.290 nan 0.000 0.649 57 G N 0.492 109.314 108.800 0.037 0.000 2.846 57 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.225 57 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.225 57 G C -0.532 174.407 174.900 0.065 0.000 1.285 57 G CA -0.236 44.899 45.100 0.057 0.000 1.055 57 G HN 0.491 nan 8.290 nan 0.000 0.579 58 I N 0.940 121.550 120.570 0.066 0.000 2.465 58 I HA 0.561 4.731 4.170 -0.000 0.000 0.291 58 I C -0.700 175.407 176.117 -0.017 0.000 1.014 58 I CA -0.733 60.582 61.300 0.025 0.000 1.093 58 I CB 1.257 39.268 38.000 0.018 0.000 1.267 58 I HN 0.506 nan 8.210 nan 0.000 0.431 59 F N 7.060 126.910 119.950 -0.166 0.000 2.410 59 F HA 0.576 5.103 4.527 -0.000 0.000 0.349 59 F C -0.524 175.128 175.800 -0.246 0.000 1.117 59 F CA -0.311 57.577 58.000 -0.185 0.000 1.104 59 F CB 1.097 39.984 39.000 -0.188 0.000 1.122 59 F HN 0.134 nan 8.300 nan 0.000 0.483 60 V N 5.571 125.000 119.914 -0.808 0.000 2.540 60 V HA 0.613 4.732 4.120 -0.000 0.000 0.302 60 V C -0.616 175.058 176.094 -0.701 0.000 1.035 60 V CA -0.438 61.522 62.300 -0.567 0.000 0.873 60 V CB 1.612 33.236 31.823 -0.331 0.000 0.992 60 V HN 0.894 nan 8.190 nan 0.000 0.428 61 S N 4.018 119.482 115.700 -0.393 0.000 2.595 61 S HA 0.928 5.398 4.470 -0.000 0.000 0.281 61 S C -1.394 173.203 174.600 -0.005 0.000 1.117 61 S CA -0.709 57.269 58.200 -0.370 0.000 0.873 61 S CB 2.396 65.370 63.200 -0.377 0.000 1.108 61 S HN 1.141 nan 8.310 nan 0.000 0.477 62 W N 0.056 121.222 121.300 -0.224 0.000 2.959 62 W HA 0.739 5.398 4.660 -0.000 0.000 0.358 62 W C -1.283 175.159 176.519 -0.129 0.000 1.228 62 W CA -1.228 56.006 57.345 -0.184 0.000 1.183 62 W CB 0.529 29.836 29.460 -0.255 0.000 1.467 62 W HN 0.744 nan 8.180 nan 0.000 0.578 63 R N 1.153 121.749 120.500 0.161 0.000 2.441 63 R HA 0.414 4.754 4.340 -0.000 0.000 0.284 63 R C -1.142 175.321 176.300 0.271 0.000 1.070 63 R CA -0.762 55.426 56.100 0.146 0.000 1.047 63 R CB 0.842 31.235 30.300 0.156 0.000 1.016 63 R HN 0.406 nan 8.270 nan 0.000 0.477 64 F N 4.451 124.446 119.950 0.074 0.000 2.350 64 F HA 0.304 4.831 4.527 0.000 0.000 0.365 64 F C -0.664 175.313 175.800 0.296 0.000 1.122 64 F CA -1.160 56.942 58.000 0.170 0.000 1.139 64 F CB 0.250 39.234 39.000 -0.027 0.000 1.220 64 F HN 0.274 nan 8.300 nan 0.000 0.499 65 L N 5.372 126.749 121.223 0.256 0.000 2.395 65 L HA 0.298 4.638 4.340 -0.000 0.000 0.269 65 L C 1.657 178.635 176.870 0.181 0.000 1.133 65 L CA -0.131 54.866 54.840 0.262 0.000 0.812 65 L CB 0.879 43.102 42.059 0.273 0.000 1.125 65 L HN 0.800 nan 8.230 nan 0.000 0.452 66 G N -0.100 108.865 108.800 0.274 0.000 2.535 66 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 66 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 66 G C 1.242 175.956 174.900 -0.310 0.000 1.122 66 G CA 0.977 45.911 45.100 -0.276 0.000 0.769 66 G HN 0.767 nan 8.290 nan 0.000 0.549 67 T N -1.883 112.595 114.554 -0.126 0.000 3.100 67 T HA 0.242 4.591 4.350 -0.000 0.000 0.253 67 T C 0.642 175.346 174.700 0.006 0.000 1.118 67 T CA -0.039 62.020 62.100 -0.069 0.000 1.058 67 T CB 0.315 69.174 68.868 -0.016 0.000 0.953 67 T HN 0.368 nan 8.240 nan 0.000 0.515 68 E N 2.046 122.273 120.200 0.046 0.000 2.248 68 E HA 0.403 4.753 4.350 -0.000 0.000 0.272 68 E C -0.049 176.676 176.600 0.208 0.000 1.008 68 E CA -0.794 55.694 56.400 0.146 0.000 0.856 68 E CB 1.084 30.943 29.700 0.266 0.000 1.120 68 E HN 0.640 nan 8.360 nan 0.000 0.397 69 N N -0.218 118.641 118.700 0.266 0.000 2.741 69 N HA 0.409 5.149 4.740 -0.000 0.000 0.310 69 N C 0.630 176.370 175.510 0.383 0.000 1.295 69 N CA -0.505 52.727 53.050 0.303 0.000 0.893 69 N CB 1.087 39.670 38.487 0.160 0.000 1.247 69 N HN 0.357 nan 8.380 nan 0.000 0.596 70 A N 0.357 123.336 122.820 0.264 0.000 1.940 70 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 70 A C 2.260 179.866 177.584 0.037 0.000 1.176 70 A CA 2.297 54.419 52.037 0.142 0.000 0.631 70 A CB -1.306 17.744 19.000 0.083 0.000 0.814 70 A HN 0.798 nan 8.150 nan 0.000 0.446 71 S N -0.508 115.218 115.700 0.043 0.000 2.423 71 S HA 0.016 4.486 4.470 -0.000 0.000 0.231 71 S C 0.719 175.288 174.600 -0.052 0.000 1.014 71 S CA 0.550 58.746 58.200 -0.006 0.000 0.965 71 S CB -1.121 62.081 63.200 0.004 0.000 0.785 71 S HN 0.230 nan 8.310 nan 0.000 0.495 72 V N 2.973 122.868 119.914 -0.032 0.000 2.584 72 V HA 0.151 4.271 4.120 -0.000 0.000 0.303 72 V C 0.273 176.157 176.094 -0.349 0.000 1.035 72 V CA 0.517 62.722 62.300 -0.157 0.000 1.172 72 V CB -0.431 31.370 31.823 -0.036 0.000 0.896 72 V HN 0.408 nan 8.190 nan 0.000 0.486 73 L N 4.752 125.705 121.223 -0.451 0.000 2.235 73 L HA 0.779 5.119 4.340 -0.000 0.000 0.260 73 L C -0.928 175.520 176.870 -0.705 0.000 1.025 73 L CA -0.661 53.927 54.840 -0.420 0.000 0.836 73 L CB 1.893 43.862 42.059 -0.150 0.000 1.395 73 L HN 0.409 nan 8.230 nan 0.000 0.443 74 F N -0.800 119.189 119.950 0.064 0.000 2.588 74 F HA 0.454 4.981 4.527 -0.000 0.000 0.310 74 F C -0.302 175.471 175.800 -0.046 0.000 1.082 74 F CA -0.839 57.176 58.000 0.025 0.000 0.929 74 F CB 1.721 40.784 39.000 0.104 0.000 1.254 74 F HN 0.238 nan 8.300 nan 0.000 0.455 75 N N 1.099 119.854 118.700 0.092 0.000 2.362 75 N HA 0.617 5.356 4.740 -0.000 0.000 0.298 75 N C -1.334 174.069 175.510 -0.178 0.000 1.048 75 N CA -0.442 52.569 53.050 -0.065 0.000 0.858 75 N CB 2.494 40.971 38.487 -0.016 0.000 1.218 75 N HN 0.251 nan 8.380 nan 0.000 0.488 76 V N 2.822 122.488 119.914 -0.414 0.000 2.417 76 V HA 0.422 4.542 4.120 -0.000 0.000 0.291 76 V C -0.946 174.871 176.094 -0.462 0.000 1.024 76 V CA -0.621 61.414 62.300 -0.442 0.000 0.861 76 V CB 0.429 31.845 31.823 -0.679 0.000 0.985 76 V HN 0.502 nan 8.190 nan 0.000 0.436 77 Y N 3.234 123.435 120.300 -0.164 0.000 2.364 77 Y HA 0.590 5.140 4.550 0.000 0.000 0.340 77 Y C 0.349 176.182 175.900 -0.112 0.000 0.975 77 Y CA -0.676 57.353 58.100 -0.118 0.000 1.089 77 Y CB 1.831 40.222 38.460 -0.115 0.000 1.192 77 Y HN 0.483 nan 8.280 nan 0.000 0.454 78 R N 3.499 123.964 120.500 -0.059 0.000 2.215 78 R HA 0.167 4.507 4.340 -0.000 0.000 0.336 78 R C -0.805 175.371 176.300 -0.207 0.000 0.996 78 R CA -0.197 55.693 56.100 -0.351 0.000 0.847 78 R CB 0.292 30.381 30.300 -0.352 0.000 1.127 78 R HN 0.872 nan 8.270 nan 0.000 0.465 79 D N 3.939 124.203 120.400 -0.227 0.000 2.686 79 D HA -0.217 4.423 4.640 -0.000 0.000 0.235 79 D C 0.728 176.995 176.300 -0.054 0.000 1.160 79 D CA 1.625 55.549 54.000 -0.127 0.000 0.645 79 D CB -0.700 40.025 40.800 -0.126 0.000 1.039 79 D HN 1.097 nan 8.370 nan 0.000 0.423 80 G N -0.142 108.652 108.800 -0.011 0.000 2.268 80 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.240 80 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.240 80 G C 0.177 175.180 174.900 0.172 0.000 1.010 80 G CA 0.512 45.628 45.100 0.027 0.000 0.618 80 G HN 0.592 nan 8.290 nan 0.000 0.516 81 Q N 1.084 120.956 119.800 0.121 0.000 2.303 81 Q HA 0.560 4.900 4.340 -0.000 0.000 0.257 81 Q C -0.123 175.871 176.000 -0.011 0.000 0.941 81 Q CA -0.581 55.272 55.803 0.084 0.000 0.931 81 Q CB 1.815 30.559 28.738 0.010 0.000 1.215 81 Q HN 0.411 nan 8.270 nan 0.000 0.437 82 K N 3.370 123.669 120.400 -0.168 0.000 2.401 82 K HA 0.087 4.407 4.320 -0.000 0.000 0.278 82 K C 0.343 176.749 176.600 -0.323 0.000 1.018 82 K CA -0.037 55.882 56.287 -0.613 0.000 0.981 82 K CB 0.508 32.621 32.500 -0.645 0.000 0.933 82 K HN 0.785 nan 8.250 nan 0.000 0.477 83 L N 2.468 123.478 121.223 -0.356 0.000 2.425 83 L HA 0.035 4.375 4.340 -0.000 0.000 0.215 83 L C 0.572 177.385 176.870 -0.095 0.000 1.065 83 L CA -0.182 54.557 54.840 -0.169 0.000 0.842 83 L CB -0.189 41.772 42.059 -0.164 0.000 1.033 83 L HN 0.682 nan 8.230 nan 0.000 0.474 84 N N 0.906 119.489 118.700 -0.195 0.000 2.438 84 N HA 0.202 4.942 4.740 -0.000 0.000 0.282 84 N C 0.542 176.014 175.510 -0.064 0.000 1.037 84 N CA 0.264 53.280 53.050 -0.057 0.000 0.942 84 N CB 2.114 40.570 38.487 -0.052 0.000 1.136 84 N HN -0.050 nan 8.380 nan 0.000 0.481 85 A N 2.027 124.840 122.820 -0.011 0.000 1.930 85 A HA 0.232 4.552 4.320 -0.000 0.000 0.217 85 A C 0.959 178.532 177.584 -0.019 0.000 1.175 85 A CA 1.395 53.421 52.037 -0.017 0.000 0.627 85 A CB -0.369 18.631 19.000 0.000 0.000 0.815 85 A HN 0.936 nan 8.150 nan 0.000 0.443 86 A N -0.965 121.852 122.820 -0.005 0.000 2.401 86 A HA 0.666 4.986 4.320 -0.000 0.000 0.310 86 A C -3.013 174.573 177.584 0.003 0.000 1.075 86 A CA -1.962 50.072 52.037 -0.004 0.000 0.746 86 A CB 0.613 19.616 19.000 0.004 0.000 1.277 86 A HN 0.046 nan 8.150 nan 0.000 0.425 87 P HA 0.182 nan 4.420 nan 0.000 0.262 87 P C -0.033 177.295 177.300 0.048 0.000 1.182 87 P CA 0.263 63.370 63.100 0.012 0.000 0.761 87 P CB 0.354 32.046 31.700 -0.014 0.000 0.795 88 V N 1.447 121.430 119.914 0.114 0.000 2.716 88 V HA 0.366 4.486 4.120 -0.000 0.000 0.304 88 V C 1.245 177.456 176.094 0.194 0.000 1.053 88 V CA -0.329 62.067 62.300 0.160 0.000 0.984 88 V CB 1.893 33.860 31.823 0.239 0.000 1.021 88 V HN 0.456 nan 8.190 nan 0.000 0.467 89 K N 1.223 121.692 120.400 0.114 0.000 2.099 89 K HA 0.117 4.437 4.320 -0.000 0.000 0.203 89 K C 0.807 177.450 176.600 0.071 0.000 1.047 89 K CA 0.831 57.154 56.287 0.060 0.000 0.963 89 K CB 0.022 32.499 32.500 -0.037 0.000 0.759 89 K HN 0.884 nan 8.250 nan 0.000 0.451 90 T N 1.371 115.932 114.554 0.012 0.000 2.930 90 T HA -0.000 4.350 4.350 -0.000 0.000 0.306 90 T C 0.605 175.139 174.700 -0.275 0.000 1.045 90 T CA 0.041 62.074 62.100 -0.112 0.000 1.134 90 T CB 1.381 70.185 68.868 -0.107 0.000 0.961 90 T HN 0.328 nan 8.240 nan 0.000 0.545 91 T N -0.116 114.080 114.554 -0.598 0.000 3.312 91 T HA 0.178 4.528 4.350 -0.000 0.000 0.251 91 T C 0.312 173.966 174.700 -1.743 0.000 1.012 91 T CA -0.891 60.291 62.100 -1.530 0.000 0.925 91 T CB -0.699 67.487 68.868 -1.137 0.000 1.049 91 T HN 0.721 nan 8.240 nan 0.000 0.583 92 N N 0.023 118.095 118.700 -1.047 0.000 2.329 92 N HA 0.412 5.152 4.740 -0.000 0.000 0.282 92 N C -1.922 173.380 175.510 -0.347 0.000 1.198 92 N CA -0.844 51.730 53.050 -0.792 0.000 0.790 92 N CB 2.048 40.198 38.487 -0.562 0.000 1.579 92 N HN 0.249 nan 8.380 nan 0.000 0.475 93 Y N 0.105 120.124 120.300 -0.468 0.000 2.480 93 Y HA 0.437 4.987 4.550 -0.000 0.000 0.329 93 Y C -1.806 173.931 175.900 -0.272 0.000 1.127 93 Y CA -0.732 57.243 58.100 -0.208 0.000 1.037 93 Y CB 1.746 40.220 38.460 0.023 0.000 1.320 93 Y HN 0.410 nan 8.280 nan 0.000 0.446 94 V N 5.123 124.768 119.914 -0.449 0.000 2.370 94 V HA 0.241 4.360 4.120 -0.000 0.000 0.283 94 V C -0.739 175.235 176.094 -0.199 0.000 1.023 94 V CA -0.636 61.527 62.300 -0.227 0.000 0.857 94 V CB 1.371 33.117 31.823 -0.128 0.000 0.985 94 V HN 0.693 nan 8.190 nan 0.000 0.443 95 D N 4.136 124.565 120.400 0.049 0.000 2.428 95 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 95 D C 0.991 177.350 176.300 0.098 0.000 1.123 95 D CA -0.336 53.768 54.000 0.174 0.000 0.869 95 D CB 1.320 42.302 40.800 0.304 0.000 1.032 95 D HN 0.466 nan 8.370 nan 0.000 0.506 96 K N 2.063 122.497 120.400 0.058 0.000 2.209 96 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 96 K C 0.891 177.527 176.600 0.060 0.000 1.048 96 K CA 0.769 57.080 56.287 0.040 0.000 0.940 96 K CB 0.311 32.820 32.500 0.016 0.000 0.729 96 K HN 0.290 nan 8.250 nan 0.000 0.451 97 N N 0.310 119.060 118.700 0.084 0.000 2.205 97 N HA 0.035 4.774 4.740 -0.000 0.000 0.201 97 N C 0.341 175.908 175.510 0.096 0.000 1.128 97 N CA 0.120 53.215 53.050 0.076 0.000 0.867 97 N CB 0.868 39.392 38.487 0.061 0.000 0.996 97 N HN 0.104 nan 8.380 nan 0.000 0.503 98 G N 0.612 109.502 108.800 0.149 0.000 2.527 98 G HA2 0.360 4.320 3.960 -0.000 0.000 0.248 98 G HA3 0.360 4.320 3.960 -0.000 0.000 0.248 98 G C 0.174 175.157 174.900 0.138 0.000 1.231 98 G CA -0.017 45.202 45.100 0.198 0.000 0.838 98 G HN 0.187 nan 8.290 nan 0.000 0.570 99 S N -0.350 115.425 115.700 0.124 0.000 2.740 99 S HA 0.661 5.131 4.470 -0.000 0.000 0.300 99 S C 1.310 175.974 174.600 0.106 0.000 1.147 99 S CA 0.022 58.278 58.200 0.093 0.000 0.871 99 S CB 1.478 64.714 63.200 0.060 0.000 1.173 99 S HN 1.325 nan 8.310 nan 0.000 0.510 100 A N 0.360 123.231 122.820 0.085 0.000 2.032 100 A HA 0.148 4.468 4.320 -0.000 0.000 0.221 100 A C 1.822 179.458 177.584 0.088 0.000 1.165 100 A CA 1.784 53.874 52.037 0.089 0.000 0.645 100 A CB -1.488 17.552 19.000 0.068 0.000 0.807 100 A HN 1.294 nan 8.150 nan 0.000 0.453 101 G N -1.099 107.740 108.800 0.065 0.000 3.088 101 G HA2 0.324 4.284 3.960 -0.000 0.000 0.217 101 G HA3 0.324 4.284 3.960 -0.000 0.000 0.217 101 G C 0.446 175.363 174.900 0.027 0.000 1.159 101 G CA 0.458 45.586 45.100 0.046 0.000 0.760 101 G HN 0.388 nan 8.290 nan 0.000 0.550 102 S N 0.540 116.260 115.700 0.033 0.000 2.585 102 S HA 0.483 4.953 4.470 -0.000 0.000 0.273 102 S C 0.488 175.043 174.600 -0.075 0.000 1.339 102 S CA -0.047 58.113 58.200 -0.066 0.000 1.028 102 S CB 1.273 64.423 63.200 -0.083 0.000 0.906 102 S HN 0.504 nan 8.310 nan 0.000 0.528 103 T N -0.062 114.343 114.554 -0.248 0.000 2.907 103 T HA 0.719 5.069 4.350 -0.000 0.000 0.292 103 T C -1.372 173.086 174.700 -0.403 0.000 1.043 103 T CA -0.672 61.340 62.100 -0.147 0.000 1.003 103 T CB 0.729 69.568 68.868 -0.048 0.000 1.084 103 T HN 0.457 nan 8.240 nan 0.000 0.483 104 Y N 0.354 120.653 120.300 -0.001 0.000 2.512 104 Y HA 0.682 5.231 4.550 -0.000 0.000 0.348 104 Y C 0.637 176.510 175.900 -0.045 0.000 0.990 104 Y CA -0.746 57.340 58.100 -0.024 0.000 1.033 104 Y CB 2.815 41.251 38.460 -0.041 0.000 1.259 104 Y HN 1.087 nan 8.280 nan 0.000 0.461 105 T N -0.769 113.838 114.554 0.088 0.000 2.896 105 T HA 0.812 5.162 4.350 -0.000 0.000 0.297 105 T C -1.055 173.614 174.700 -0.052 0.000 1.108 105 T CA -0.902 61.193 62.100 -0.009 0.000 1.004 105 T CB 1.267 70.096 68.868 -0.066 0.000 1.159 105 T HN 0.667 nan 8.240 nan 0.000 0.499 106 V N -0.723 119.087 119.914 -0.173 0.000 2.864 106 V HA 0.856 4.976 4.120 -0.000 0.000 0.314 106 V C -0.804 175.224 176.094 -0.110 0.000 1.073 106 V CA -1.382 60.753 62.300 -0.274 0.000 0.956 106 V CB 1.754 33.069 31.823 -0.846 0.000 1.023 106 V HN 1.064 nan 8.190 nan 0.000 0.435 107 R N 1.839 122.347 120.500 0.013 0.000 2.532 107 R HA 0.773 5.113 4.340 -0.000 0.000 0.297 107 R C -0.361 176.017 176.300 0.131 0.000 0.984 107 R CA -0.452 55.684 56.100 0.060 0.000 0.884 107 R CB 2.244 32.575 30.300 0.052 0.000 1.182 107 R HN 1.101 nan 8.270 nan 0.000 0.442 108 A N 2.601 125.493 122.820 0.122 0.000 2.425 108 A HA 0.388 4.708 4.320 -0.000 0.000 0.249 108 A C -0.009 177.513 177.584 -0.104 0.000 1.084 108 A CA -0.274 51.736 52.037 -0.045 0.000 0.781 108 A CB 0.631 19.638 19.000 0.010 0.000 1.019 108 A HN 0.430 nan 8.150 nan 0.000 0.490 109 V N 3.549 123.332 119.914 -0.218 0.000 2.350 109 V HA 0.349 4.469 4.120 -0.000 0.000 0.285 109 V C -0.422 175.591 176.094 -0.135 0.000 1.014 109 V CA -0.450 61.773 62.300 -0.129 0.000 0.831 109 V CB 1.252 33.014 31.823 -0.103 0.000 1.000 109 V HN 0.600 nan 8.190 nan 0.000 0.433 110 V N 4.481 124.350 119.914 -0.075 0.000 2.347 110 V HA 0.391 4.511 4.120 -0.000 0.000 0.280 110 V C 0.758 176.833 176.094 -0.031 0.000 1.021 110 V CA -0.649 61.621 62.300 -0.050 0.000 0.847 110 V CB 0.872 32.682 31.823 -0.022 0.000 0.990 110 V HN 1.044 nan 8.190 nan 0.000 0.444 111 N N 4.135 122.818 118.700 -0.028 0.000 2.716 111 N HA -0.231 4.509 4.740 -0.000 0.000 0.250 111 N C 1.079 176.577 175.510 -0.019 0.000 1.033 111 N CA 1.798 54.837 53.050 -0.018 0.000 0.727 111 N CB -0.939 37.543 38.487 -0.007 0.000 0.950 111 N HN 1.504 nan 8.380 nan 0.000 0.541 112 G N -2.852 105.931 108.800 -0.028 0.000 2.217 112 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 112 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 112 G C 0.179 175.068 174.900 -0.020 0.000 0.990 112 G CA 0.437 45.523 45.100 -0.022 0.000 0.627 112 G HN 0.712 nan 8.290 nan 0.000 0.522 113 T N 1.122 115.664 114.554 -0.021 0.000 2.767 113 T HA 0.544 4.894 4.350 -0.000 0.000 0.284 113 T C -0.102 174.586 174.700 -0.019 0.000 0.973 113 T CA -0.323 61.767 62.100 -0.016 0.000 0.996 113 T CB 2.386 71.247 68.868 -0.011 0.000 0.927 113 T HN 0.389 nan 8.240 nan 0.000 0.456 114 E N 2.512 122.705 120.200 -0.012 0.000 2.354 114 E HA 0.147 4.497 4.350 -0.000 0.000 0.269 114 E C -0.208 176.385 176.600 -0.011 0.000 1.036 114 E CA -0.611 55.785 56.400 -0.008 0.000 0.876 114 E CB 0.539 30.246 29.700 0.012 0.000 1.009 114 E HN 0.417 nan 8.360 nan 0.000 0.416 115 Q N 2.753 122.548 119.800 -0.010 0.000 2.240 115 Q HA 0.429 4.769 4.340 -0.000 0.000 0.260 115 Q C -2.296 173.693 176.000 -0.018 0.000 1.018 115 Q CA -2.260 53.539 55.803 -0.007 0.000 0.898 115 Q CB 0.626 29.369 28.738 0.008 0.000 1.301 115 Q HN 0.449 nan 8.270 nan 0.000 0.469 116 P HA -0.007 nan 4.420 nan 0.000 0.267 116 P C -0.956 176.317 177.300 -0.045 0.000 1.201 116 P CA 0.267 63.345 63.100 -0.037 0.000 0.775 116 P CB 0.346 32.033 31.700 -0.021 0.000 0.854 117 A N 2.569 125.340 122.820 -0.083 0.000 2.407 117 A HA 0.394 4.714 4.320 -0.000 0.000 0.248 117 A C 0.805 178.352 177.584 -0.061 0.000 1.082 117 A CA -0.017 51.959 52.037 -0.103 0.000 0.785 117 A CB -0.437 18.463 19.000 -0.166 0.000 1.020 117 A HN 0.627 nan 8.150 nan 0.000 0.489 118 S N 1.896 117.560 115.700 -0.059 0.000 2.598 118 S HA 0.163 4.633 4.470 -0.000 0.000 0.256 118 S C 0.153 174.734 174.600 -0.033 0.000 1.350 118 S CA -0.457 57.720 58.200 -0.038 0.000 0.984 118 S CB 0.177 63.342 63.200 -0.058 0.000 0.930 118 S HN 0.687 nan 8.310 nan 0.000 0.577 119 E N 1.249 121.443 120.200 -0.011 0.000 2.436 119 E HA 0.061 4.411 4.350 -0.000 0.000 0.262 119 E C 0.099 176.701 176.600 0.003 0.000 1.063 119 E CA 0.018 56.417 56.400 -0.001 0.000 0.944 119 E CB 0.323 30.032 29.700 0.015 0.000 0.950 119 E HN 0.720 nan 8.360 nan 0.000 0.444 120 K N -0.329 120.077 120.400 0.009 0.000 2.368 120 K HA 0.457 4.777 4.320 -0.000 0.000 0.282 120 K C -0.586 176.050 176.600 0.060 0.000 1.035 120 K CA -0.475 55.826 56.287 0.024 0.000 0.973 120 K CB 0.910 33.415 32.500 0.010 0.000 0.957 120 K HN 0.328 nan 8.250 nan 0.000 0.474 121 A N 3.157 126.034 122.820 0.096 0.000 2.271 121 A HA 0.360 4.680 4.320 -0.000 0.000 0.317 121 A C -0.551 177.144 177.584 0.184 0.000 1.245 121 A CA -0.832 51.288 52.037 0.138 0.000 0.857 121 A CB 0.990 20.066 19.000 0.126 0.000 1.175 121 A HN 0.744 nan 8.150 nan 0.000 0.512 122 S N 0.647 116.456 115.700 0.181 0.000 2.610 122 S HA 0.392 4.862 4.470 -0.000 0.000 0.273 122 S C 0.345 175.100 174.600 0.260 0.000 1.274 122 S CA -0.508 57.809 58.200 0.195 0.000 1.023 122 S CB 1.236 64.529 63.200 0.155 0.000 0.962 122 S HN 0.579 nan 8.310 nan 0.000 0.523 123 V N 3.279 123.341 119.914 0.246 0.000 2.521 123 V HA 0.026 4.146 4.120 -0.000 0.000 0.286 123 V C -0.149 176.141 176.094 0.326 0.000 1.034 123 V CA -0.364 62.080 62.300 0.239 0.000 1.045 123 V CB -0.227 31.718 31.823 0.205 0.000 0.974 123 V HN 0.739 nan 8.190 nan 0.000 0.480 124 W N 3.286 124.624 121.300 0.062 0.000 2.231 124 W HA 0.241 4.901 4.660 -0.000 0.000 0.341 124 W C 1.312 177.832 176.519 0.003 0.000 1.298 124 W CA -0.064 57.306 57.345 0.042 0.000 1.266 124 W CB -0.238 29.241 29.460 0.031 0.000 1.172 124 W HN 0.722 nan 8.180 nan 0.000 0.568 125 A N 2.461 125.375 122.820 0.157 0.000 1.930 125 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 125 A C 1.076 178.650 177.584 -0.017 0.000 1.175 125 A CA 1.165 53.230 52.037 0.047 0.000 0.627 125 A CB -0.158 18.836 19.000 -0.010 0.000 0.815 125 A HN 0.568 nan 8.150 nan 0.000 0.443 126 Q N -2.041 117.692 119.800 -0.113 0.000 2.418 126 Q HA 0.355 4.695 4.340 -0.000 0.000 0.276 126 Q C -2.228 173.695 176.000 -0.129 0.000 1.081 126 Q CA -2.165 53.453 55.803 -0.308 0.000 0.864 126 Q CB 0.279 28.457 28.738 -0.934 0.000 1.384 126 Q HN 0.007 nan 8.270 nan 0.000 0.467 127 P HA -0.074 nan 4.420 nan 0.000 0.225 127 P C -0.505 176.947 177.300 0.253 0.000 1.148 127 P CA 1.316 64.492 63.100 0.127 0.000 0.779 127 P CB -0.014 31.816 31.700 0.216 0.000 0.780 128 Y N -2.987 117.341 120.300 0.048 0.000 2.598 128 Y HA 0.707 5.257 4.550 -0.000 0.000 0.340 128 Y C -0.196 175.526 175.900 -0.296 0.000 1.038 128 Y CA -2.206 55.787 58.100 -0.179 0.000 1.100 128 Y CB 0.351 38.263 38.460 -0.914 0.000 1.281 128 Y HN -0.244 nan 8.280 nan 0.000 0.488 129 H N 0.361 119.079 119.070 -0.587 0.000 2.488 129 H HA 0.584 5.140 4.556 -0.000 0.000 0.322 129 H C -1.134 174.039 175.328 -0.258 0.000 1.078 129 H CA -0.519 55.022 56.048 -0.845 0.000 1.260 129 H CB 1.129 30.017 29.762 -1.457 0.000 1.425 129 H HN 0.749 nan 8.280 nan 0.000 0.471 130 S N 4.318 119.612 115.700 -0.675 0.000 2.513 130 S HA 0.297 4.767 4.470 -0.000 0.000 0.276 130 S C -0.607 173.635 174.600 -0.596 0.000 1.254 130 S CA -0.823 57.130 58.200 -0.411 0.000 1.053 130 S CB 1.014 64.111 63.200 -0.172 0.000 0.958 130 S HN 0.471 nan 8.310 nan 0.000 0.491 131 V N 6.381 126.103 119.914 -0.319 0.000 2.313 131 V HA 0.329 4.449 4.120 -0.000 0.000 0.278 131 V C -2.126 173.838 176.094 -0.217 0.000 1.017 131 V CA -2.121 60.045 62.300 -0.224 0.000 0.823 131 V CB 0.945 32.683 31.823 -0.142 0.000 1.010 131 V HN 0.658 nan 8.190 nan 0.000 0.443 132 P HA 0.266 nan 4.420 nan 0.000 0.271 132 P C -0.725 176.467 177.300 -0.181 0.000 1.216 132 P CA -0.005 63.022 63.100 -0.122 0.000 0.776 132 P CB 1.246 32.914 31.700 -0.054 0.000 0.881 133 L N 1.834 122.979 121.223 -0.131 0.000 2.334 133 L HA 0.407 4.747 4.340 -0.000 0.000 0.270 133 L C 0.607 177.562 176.870 0.142 0.000 1.018 133 L CA -0.692 54.087 54.840 -0.101 0.000 0.811 133 L CB 1.198 43.277 42.059 0.034 0.000 1.271 133 L HN 0.254 nan 8.230 nan 0.000 0.443 134 D N 1.856 122.446 120.400 0.317 0.000 2.500 134 D HA 0.076 4.716 4.640 -0.000 0.000 0.219 134 D C -0.133 176.153 176.300 -0.023 0.000 1.137 134 D CA -0.336 53.756 54.000 0.153 0.000 0.946 134 D CB 0.431 41.315 40.800 0.140 0.000 1.022 134 D HN 0.229 nan 8.370 nan 0.000 0.518 135 K N 3.940 124.287 120.400 -0.088 0.000 2.412 135 K HA 0.186 4.506 4.320 -0.000 0.000 0.284 135 K C -2.193 174.116 176.600 -0.486 0.000 1.046 135 K CA -1.254 54.804 56.287 -0.382 0.000 0.999 135 K CB 0.481 32.926 32.500 -0.091 0.000 0.941 135 K HN 0.239 nan 8.250 nan 0.000 0.474 136 P HA 0.031 nan 4.420 nan 0.000 0.271 136 P C -1.080 176.073 177.300 -0.246 0.000 1.216 136 P CA -0.312 62.424 63.100 -0.607 0.000 0.776 136 P CB 1.028 32.084 31.700 -1.073 0.000 0.881 137 A N 2.952 125.686 122.820 -0.144 0.000 2.466 137 A HA 0.467 4.786 4.320 -0.000 0.000 0.238 137 A C 1.089 178.705 177.584 0.053 0.000 1.074 137 A CA 0.364 52.372 52.037 -0.049 0.000 0.774 137 A CB -0.546 18.416 19.000 -0.064 0.000 1.015 137 A HN 0.632 nan 8.150 nan 0.000 0.498 138 G N -0.256 108.533 108.800 -0.018 0.000 2.667 138 G HA2 0.513 4.473 3.960 -0.000 0.000 0.250 138 G HA3 0.513 4.473 3.960 -0.000 0.000 0.250 138 G C 0.329 175.023 174.900 -0.343 0.000 1.212 138 G CA 0.223 45.221 45.100 -0.169 0.000 0.874 138 G HN 1.374 nan 8.290 nan 0.000 0.561 139 G N -1.998 106.251 108.800 -0.918 0.000 2.866 139 G HA2 0.680 4.640 3.960 -0.000 0.000 0.289 139 G HA3 0.680 4.640 3.960 -0.000 0.000 0.289 139 G C -0.977 173.379 174.900 -0.906 0.000 1.396 139 G CA 0.234 44.825 45.100 -0.848 0.000 0.848 139 G HN 1.054 nan 8.290 nan 0.000 0.515 140 T N -1.448 112.903 114.554 -0.337 0.000 2.933 140 T HA 0.624 4.974 4.350 -0.000 0.000 0.305 140 T C 0.403 175.184 174.700 0.134 0.000 1.092 140 T CA 0.332 62.388 62.100 -0.073 0.000 1.008 140 T CB 1.289 70.106 68.868 -0.084 0.000 1.102 140 T HN 1.183 nan 8.240 nan 0.000 0.469 141 T N 2.317 116.977 114.554 0.176 0.000 2.788 141 T HA 0.430 4.779 4.350 -0.000 0.000 0.287 141 T C -1.632 173.033 174.700 -0.058 0.000 1.007 141 T CA -1.305 60.850 62.100 0.091 0.000 1.005 141 T CB 0.244 69.148 68.868 0.059 0.000 1.012 141 T HN 0.417 nan 8.240 nan 0.000 0.530 142 P HA 0.033 nan 4.420 nan 0.000 0.225 142 P C 1.034 178.176 177.300 -0.265 0.000 1.148 142 P CA 0.724 63.685 63.100 -0.233 0.000 0.779 142 P CB 0.090 31.590 31.700 -0.333 0.000 0.780 143 K N -1.553 118.663 120.400 -0.306 0.000 2.404 143 K HA 0.238 4.558 4.320 -0.000 0.000 0.194 143 K C 1.291 177.834 176.600 -0.095 0.000 1.023 143 K CA 0.661 56.824 56.287 -0.205 0.000 1.094 143 K CB -0.391 31.987 32.500 -0.203 0.000 0.841 143 K HN 0.178 nan 8.250 nan 0.000 0.523 144 G N 2.127 110.882 108.800 -0.075 0.000 2.143 144 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.249 144 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.249 144 G C -0.121 174.769 174.900 -0.016 0.000 0.981 144 G CA 0.260 45.336 45.100 -0.041 0.000 0.665 144 G HN 0.420 nan 8.290 nan 0.000 0.528 145 E N 1.126 121.330 120.200 0.007 0.000 2.223 145 E HA 0.515 4.865 4.350 -0.000 0.000 0.282 145 E C 0.313 176.956 176.600 0.070 0.000 1.046 145 E CA -0.246 56.179 56.400 0.042 0.000 0.857 145 E CB 0.378 30.118 29.700 0.067 0.000 1.055 145 E HN 0.192 nan 8.360 nan 0.000 0.409 146 S N 3.471 119.184 115.700 0.021 0.000 2.580 146 S HA 0.286 4.756 4.470 -0.000 0.000 0.274 146 S C -0.863 173.759 174.600 0.036 0.000 1.329 146 S CA -0.377 57.797 58.200 -0.043 0.000 1.036 146 S CB 0.270 63.429 63.200 -0.069 0.000 0.919 146 S HN 0.482 nan 8.310 nan 0.000 0.515 147 Y N -1.196 119.054 120.300 -0.083 0.000 2.562 147 Y HA 0.779 5.329 4.550 -0.000 0.000 0.345 147 Y C -0.251 175.542 175.900 -0.179 0.000 1.045 147 Y CA -1.221 56.799 58.100 -0.134 0.000 1.028 147 Y CB 0.657 39.011 38.460 -0.177 0.000 1.297 147 Y HN 0.631 nan 8.280 nan 0.000 0.463 148 T N -1.582 112.955 114.554 -0.029 0.000 2.910 148 T HA 0.651 5.001 4.350 -0.000 0.000 0.287 148 T C -1.557 173.071 174.700 -0.120 0.000 1.050 148 T CA -0.898 61.159 62.100 -0.071 0.000 1.011 148 T CB 1.633 70.502 68.868 0.001 0.000 1.195 148 T HN 0.647 nan 8.240 nan 0.000 0.540 149 Y N 0.604 120.981 120.300 0.128 0.000 2.409 149 Y HA 0.600 5.149 4.550 -0.000 0.000 0.339 149 Y C 0.732 176.800 175.900 0.280 0.000 1.033 149 Y CA -0.528 57.692 58.100 0.201 0.000 1.094 149 Y CB 2.206 40.716 38.460 0.084 0.000 1.210 149 Y HN 0.996 nan 8.280 nan 0.000 0.456 150 S N 1.148 117.165 115.700 0.529 0.000 2.568 150 S HA 0.869 5.339 4.470 -0.000 0.000 0.293 150 S C -0.727 174.106 174.600 0.388 0.000 1.089 150 S CA -1.126 57.332 58.200 0.430 0.000 0.945 150 S CB 1.619 64.946 63.200 0.211 0.000 1.077 150 S HN 0.872 nan 8.310 nan 0.000 0.485 151 A N 2.291 125.148 122.820 0.061 0.000 2.488 151 A HA 0.438 4.758 4.320 -0.000 0.000 0.249 151 A C 0.511 177.981 177.584 -0.190 0.000 1.083 151 A CA -0.362 51.394 52.037 -0.469 0.000 0.768 151 A CB -0.305 18.367 19.000 -0.547 0.000 1.017 151 A HN 0.926 nan 8.150 nan 0.000 0.496 152 N N 0.378 118.955 118.700 -0.206 0.000 3.464 152 N HA 0.139 4.879 4.740 -0.000 0.000 0.335 152 N C -1.079 174.412 175.510 -0.032 0.000 1.489 152 N CA -0.626 52.394 53.050 -0.050 0.000 0.652 152 N CB 0.697 39.205 38.487 0.035 0.000 2.334 152 N HN 0.626 nan 8.380 nan 0.000 0.560 153 D N 0.893 121.332 120.400 0.066 0.000 2.423 153 D HA 0.377 5.017 4.640 -0.000 0.000 0.238 153 D C -0.421 176.010 176.300 0.218 0.000 1.142 153 D CA 0.333 54.416 54.000 0.137 0.000 0.884 153 D CB 1.031 41.967 40.800 0.227 0.000 1.199 153 D HN 0.538 nan 8.370 nan 0.000 0.438 154 A N 0.950 123.877 122.820 0.179 0.000 2.435 154 A HA 0.684 5.004 4.320 -0.000 0.000 0.296 154 A C -0.306 177.386 177.584 0.179 0.000 1.147 154 A CA -0.538 51.640 52.037 0.234 0.000 0.775 154 A CB 2.096 21.135 19.000 0.065 0.000 1.340 154 A HN 0.400 nan 8.150 nan 0.000 0.427 155 S N -1.744 114.095 115.700 0.232 0.000 2.732 155 S HA 0.813 5.283 4.470 -0.000 0.000 0.293 155 S C -1.146 173.499 174.600 0.075 0.000 1.159 155 S CA 0.184 58.429 58.200 0.075 0.000 0.847 155 S CB 1.503 64.719 63.200 0.028 0.000 1.169 155 S HN 2.004 nan 8.310 nan 0.000 0.501 156 V N -0.782 119.132 119.914 -0.001 0.000 2.876 156 V HA 1.056 5.176 4.120 -0.000 0.000 0.312 156 V C -0.035 176.096 176.094 0.063 0.000 1.085 156 V CA -0.205 62.087 62.300 -0.014 0.000 0.945 156 V CB 1.016 32.675 31.823 -0.274 0.000 1.017 156 V HN 1.239 nan 8.190 nan 0.000 0.428 157 G N 0.719 109.647 108.800 0.214 0.000 2.698 157 G HA2 0.519 4.479 3.960 -0.000 0.000 0.293 157 G HA3 0.519 4.479 3.960 -0.000 0.000 0.293 157 G C -2.154 172.945 174.900 0.332 0.000 1.437 157 G CA -0.482 44.790 45.100 0.287 0.000 0.852 157 G HN 0.881 nan 8.290 nan 0.000 0.499 158 D N 1.089 121.634 120.400 0.242 0.000 2.441 158 D HA 0.257 4.897 4.640 -0.000 0.000 0.221 158 D C 1.652 178.015 176.300 0.104 0.000 1.156 158 D CA -0.252 53.811 54.000 0.105 0.000 0.896 158 D CB 1.259 42.033 40.800 -0.045 0.000 1.028 158 D HN 0.412 nan 8.370 nan 0.000 0.509 159 V N 1.437 121.428 119.914 0.129 0.000 3.129 159 V HA 0.037 4.157 4.120 -0.000 0.000 0.259 159 V C 0.928 177.092 176.094 0.116 0.000 1.116 159 V CA 1.364 63.752 62.300 0.146 0.000 1.127 159 V CB -0.205 31.740 31.823 0.203 0.000 0.742 159 V HN 0.480 nan 8.190 nan 0.000 0.474 160 D N -0.416 120.036 120.400 0.087 0.000 2.469 160 D HA 0.250 4.890 4.640 -0.000 0.000 0.213 160 D C 1.570 177.899 176.300 0.049 0.000 1.135 160 D CA 0.510 54.553 54.000 0.070 0.000 0.834 160 D CB 0.309 41.150 40.800 0.067 0.000 1.009 160 D HN 0.859 nan 8.370 nan 0.000 0.507 161 G N 2.177 111.000 108.800 0.038 0.000 2.136 161 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.242 161 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.242 161 G C 0.478 175.383 174.900 0.009 0.000 0.989 161 G CA 0.492 45.606 45.100 0.023 0.000 0.682 161 G HN 0.522 nan 8.290 nan 0.000 0.522 162 D N -0.292 120.109 120.400 0.002 0.000 2.339 162 D HA 0.351 4.991 4.640 -0.000 0.000 0.217 162 D C 1.779 178.064 176.300 -0.024 0.000 1.050 162 D CA 0.623 54.622 54.000 -0.002 0.000 0.856 162 D CB -0.516 40.289 40.800 0.008 0.000 0.922 162 D HN 1.572 nan 8.370 nan 0.000 0.518 163 G N 0.316 109.078 108.800 -0.063 0.000 2.157 163 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.248 163 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.248 163 G C -0.058 174.732 174.900 -0.183 0.000 0.979 163 G CA 0.262 45.294 45.100 -0.115 0.000 0.650 163 G HN 0.642 nan 8.290 nan 0.000 0.529 164 Q N -0.183 119.528 119.800 -0.148 0.000 2.333 164 Q HA 0.623 4.963 4.340 -0.000 0.000 0.267 164 Q C -0.549 175.383 176.000 -0.113 0.000 1.012 164 Q CA -1.090 54.638 55.803 -0.124 0.000 0.824 164 Q CB 1.026 29.756 28.738 -0.014 0.000 1.290 164 Q HN 0.219 nan 8.270 nan 0.000 0.449 165 Y N 1.937 122.271 120.300 0.057 0.000 2.497 165 Y HA 0.090 4.640 4.550 -0.000 0.000 0.334 165 Y C 0.220 176.157 175.900 0.062 0.000 1.199 165 Y CA 0.184 58.319 58.100 0.059 0.000 1.425 165 Y CB 0.666 39.164 38.460 0.064 0.000 1.291 165 Y HN 0.610 nan 8.280 nan 0.000 0.562 166 E N 1.878 122.228 120.200 0.249 0.000 2.283 166 E HA 0.443 4.793 4.350 -0.000 0.000 0.271 166 E C -1.100 175.591 176.600 0.152 0.000 1.031 166 E CA -0.562 55.935 56.400 0.161 0.000 0.868 166 E CB 0.780 30.543 29.700 0.106 0.000 1.094 166 E HN 0.440 nan 8.360 nan 0.000 0.401 167 L N 2.824 124.116 121.223 0.114 0.000 2.275 167 L HA 0.343 4.683 4.340 -0.000 0.000 0.288 167 L C -0.568 176.335 176.870 0.054 0.000 1.046 167 L CA -0.594 54.301 54.840 0.092 0.000 0.805 167 L CB 0.595 42.704 42.059 0.083 0.000 1.193 167 L HN 0.295 nan 8.230 nan 0.000 0.426 168 I N 5.178 125.793 120.570 0.076 0.000 2.307 168 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 168 I C -0.318 175.824 176.117 0.042 0.000 1.021 168 I CA -0.455 60.865 61.300 0.033 0.000 1.224 168 I CB 1.351 39.469 38.000 0.197 0.000 1.376 168 I HN 0.360 nan 8.210 nan 0.000 0.470 169 L N 7.437 128.594 121.223 -0.109 0.000 2.322 169 L HA 0.476 4.816 4.340 -0.000 0.000 0.281 169 L C -0.114 176.550 176.870 -0.343 0.000 1.014 169 L CA -0.336 54.390 54.840 -0.190 0.000 0.815 169 L CB 1.323 43.237 42.059 -0.241 0.000 1.247 169 L HN 0.518 nan 8.230 nan 0.000 0.421 170 K N 4.368 124.567 120.400 -0.335 0.000 2.227 170 K HA 0.299 4.619 4.320 -0.000 0.000 0.280 170 K C -1.468 175.005 176.600 -0.210 0.000 1.041 170 K CA -0.408 55.712 56.287 -0.278 0.000 0.905 170 K CB 0.593 32.984 32.500 -0.183 0.000 1.068 170 K HN 0.613 nan 8.250 nan 0.000 0.470 171 W N 2.654 123.948 121.300 -0.010 0.000 2.376 171 W HA 0.197 4.857 4.660 -0.000 0.000 0.322 171 W C -0.195 176.439 176.519 0.193 0.000 1.160 171 W CA -0.260 57.135 57.345 0.084 0.000 1.218 171 W CB 1.154 30.599 29.460 -0.025 0.000 1.205 171 W HN 0.559 nan 8.180 nan 0.000 0.559 172 D N 3.835 124.530 120.400 0.492 0.000 2.408 172 D HA 0.362 5.002 4.640 -0.000 0.000 0.243 172 D C -2.355 174.113 176.300 0.280 0.000 1.075 172 D CA -2.102 52.093 54.000 0.325 0.000 0.832 172 D CB 1.790 42.701 40.800 0.185 0.000 1.162 172 D HN -0.116 nan 8.370 nan 0.000 0.515 173 P HA 0.075 nan 4.420 nan 0.000 0.274 173 P C 0.429 177.659 177.300 -0.117 0.000 1.231 173 P CA -0.331 62.583 63.100 -0.310 0.000 0.790 173 P CB 1.107 32.468 31.700 -0.565 0.000 0.951 174 S N 0.437 116.093 115.700 -0.074 0.000 2.555 174 S HA -0.117 4.353 4.470 -0.000 0.000 0.230 174 S C 0.964 175.562 174.600 -0.003 0.000 0.978 174 S CA 0.541 58.741 58.200 0.000 0.000 0.934 174 S CB -1.106 62.111 63.200 0.029 0.000 0.766 174 S HN 0.597 nan 8.310 nan 0.000 0.533 175 N N 1.613 120.281 118.700 -0.053 0.000 2.275 175 N HA 0.101 4.841 4.740 -0.000 0.000 0.236 175 N C -0.046 175.430 175.510 -0.055 0.000 1.154 175 N CA 0.051 53.075 53.050 -0.042 0.000 0.866 175 N CB -0.266 38.199 38.487 -0.037 0.000 1.093 175 N HN 0.398 nan 8.380 nan 0.000 0.515 176 S N 0.351 116.025 115.700 -0.043 0.000 2.569 176 S HA 0.214 4.684 4.470 -0.000 0.000 0.274 176 S C 0.044 174.673 174.600 0.048 0.000 1.353 176 S CA -0.179 58.020 58.200 -0.002 0.000 1.023 176 S CB 1.062 64.284 63.200 0.037 0.000 0.876 176 S HN 0.133 nan 8.310 nan 0.000 0.540 177 K N 1.177 121.634 120.400 0.096 0.000 2.422 177 K HA 0.372 4.691 4.320 -0.000 0.000 0.251 177 K C -0.976 175.766 176.600 0.237 0.000 0.933 177 K CA -0.625 55.745 56.287 0.138 0.000 0.798 177 K CB 1.976 34.541 32.500 0.109 0.000 1.238 177 K HN 0.849 nan 8.250 nan 0.000 0.428 178 D N 0.501 121.025 120.400 0.207 0.000 2.362 178 D HA 0.041 4.681 4.640 -0.000 0.000 0.242 178 D C 0.849 177.293 176.300 0.240 0.000 1.132 178 D CA 0.129 54.277 54.000 0.247 0.000 0.907 178 D CB 0.791 41.716 40.800 0.210 0.000 1.195 178 D HN 0.318 nan 8.370 nan 0.000 0.429 179 N N 0.310 119.125 118.700 0.190 0.000 2.272 179 N HA -0.176 4.564 4.740 -0.000 0.000 0.185 179 N C 1.509 177.100 175.510 0.135 0.000 1.014 179 N CA 1.275 54.398 53.050 0.122 0.000 0.870 179 N CB -0.197 38.242 38.487 -0.080 0.000 0.975 179 N HN 0.441 nan 8.380 nan 0.000 0.433 180 S N -0.754 115.028 115.700 0.136 0.000 2.481 180 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 180 S C 0.591 175.285 174.600 0.156 0.000 0.996 180 S CA 0.258 58.561 58.200 0.172 0.000 0.942 180 S CB -0.090 63.176 63.200 0.110 0.000 0.768 180 S HN 0.274 nan 8.310 nan 0.000 0.520 181 Q N 2.671 122.554 119.800 0.138 0.000 2.271 181 Q HA 0.310 4.649 4.340 -0.000 0.000 0.258 181 Q C -0.692 175.364 176.000 0.093 0.000 0.936 181 Q CA -0.736 55.127 55.803 0.100 0.000 0.909 181 Q CB 1.119 29.913 28.738 0.093 0.000 1.253 181 Q HN 0.552 nan 8.270 nan 0.000 0.440 182 D N 1.162 121.599 120.400 0.063 0.000 2.358 182 D HA 0.514 5.153 4.640 -0.000 0.000 0.244 182 D C 0.229 176.546 176.300 0.028 0.000 1.163 182 D CA -0.301 53.722 54.000 0.039 0.000 0.945 182 D CB 1.277 42.093 40.800 0.028 0.000 1.152 182 D HN 0.673 nan 8.370 nan 0.000 0.451 183 G N -0.490 108.305 108.800 -0.008 0.000 2.348 183 G HA2 0.094 4.054 3.960 -0.000 0.000 0.606 183 G HA3 0.094 4.054 3.960 -0.000 0.000 0.606 183 G C -1.720 173.162 174.900 -0.030 0.000 1.466 183 G CA -1.120 44.005 45.100 0.042 0.000 0.950 183 G HN 0.397 nan 8.290 nan 0.000 0.657 184 Y N 0.737 121.023 120.300 -0.023 0.000 2.309 184 Y HA 0.550 5.100 4.550 -0.000 0.000 0.327 184 Y C 1.551 177.396 175.900 -0.093 0.000 1.172 184 Y CA 0.809 58.880 58.100 -0.049 0.000 1.280 184 Y CB 1.645 40.089 38.460 -0.028 0.000 1.234 184 Y HN 0.754 nan 8.280 nan 0.000 0.512 185 T N -0.499 114.044 114.554 -0.019 0.000 2.912 185 T HA 0.697 5.047 4.350 -0.000 0.000 0.288 185 T C 0.326 174.846 174.700 -0.300 0.000 1.030 185 T CA -0.872 61.130 62.100 -0.164 0.000 1.020 185 T CB 1.485 70.250 68.868 -0.172 0.000 1.056 185 T HN 0.834 nan 8.240 nan 0.000 0.480 186 G N 0.953 109.328 108.800 -0.708 0.000 2.667 186 G HA2 0.376 4.336 3.960 -0.000 0.000 0.250 186 G HA3 0.376 4.336 3.960 -0.000 0.000 0.250 186 G C -0.413 174.300 174.900 -0.313 0.000 1.212 186 G CA -0.610 43.853 45.100 -1.062 0.000 0.874 186 G HN 0.808 nan 8.290 nan 0.000 0.561 187 D N -0.803 119.591 120.400 -0.009 0.000 2.423 187 D HA 0.148 4.788 4.640 -0.000 0.000 0.238 187 D C 0.427 176.843 176.300 0.194 0.000 1.142 187 D CA 0.176 54.246 54.000 0.117 0.000 0.884 187 D CB 1.449 42.355 40.800 0.176 0.000 1.199 187 D HN -0.001 nan 8.370 nan 0.000 0.438 188 V N 3.311 123.293 119.914 0.114 0.000 2.432 188 V HA 0.273 4.393 4.120 -0.000 0.000 0.275 188 V C 0.422 176.570 176.094 0.091 0.000 1.043 188 V CA -0.528 61.853 62.300 0.134 0.000 0.925 188 V CB 0.741 32.608 31.823 0.073 0.000 0.985 188 V HN 0.253 nan 8.190 nan 0.000 0.466 189 L N 5.846 127.134 121.223 0.109 0.000 2.346 189 L HA 0.647 4.987 4.340 -0.000 0.000 0.276 189 L C -0.865 176.080 176.870 0.123 0.000 1.006 189 L CA -0.651 54.223 54.840 0.056 0.000 0.817 189 L CB 2.044 44.046 42.059 -0.096 0.000 1.272 189 L HN 0.366 nan 8.230 nan 0.000 0.421 190 I N 1.756 122.359 120.570 0.054 0.000 2.436 190 I HA 0.431 4.601 4.170 -0.000 0.000 0.289 190 I C -0.856 175.284 176.117 0.039 0.000 1.010 190 I CA -0.397 60.892 61.300 -0.019 0.000 1.098 190 I CB 1.728 39.669 38.000 -0.097 0.000 1.266 190 I HN 0.497 nan 8.210 nan 0.000 0.434 191 D N 4.102 124.433 120.400 -0.116 0.000 2.350 191 D HA 0.732 5.372 4.640 -0.000 0.000 0.238 191 D C -0.347 175.427 176.300 -0.876 0.000 0.989 191 D CA -0.272 53.479 54.000 -0.414 0.000 0.921 191 D CB 2.536 43.262 40.800 -0.124 0.000 1.297 191 D HN 0.614 nan 8.370 nan 0.000 0.490 192 A N 1.425 123.356 122.820 -1.483 0.000 2.331 192 A HA 0.650 4.970 4.320 -0.000 0.000 0.320 192 A C -1.509 175.536 177.584 -0.897 0.000 1.138 192 A CA -0.539 50.800 52.037 -1.163 0.000 0.790 192 A CB 0.428 18.494 19.000 -1.555 0.000 1.206 192 A HN 0.484 nan 8.150 nan 0.000 0.470 193 Y N 1.327 121.459 120.300 -0.279 0.000 2.409 193 Y HA 0.417 4.967 4.550 -0.000 0.000 0.343 193 Y C 0.568 176.426 175.900 -0.070 0.000 0.973 193 Y CA -0.554 57.460 58.100 -0.143 0.000 1.064 193 Y CB 2.048 40.454 38.460 -0.089 0.000 1.207 193 Y HN 0.637 nan 8.280 nan 0.000 0.452 194 K N 2.312 122.778 120.400 0.111 0.000 2.168 194 K HA 0.253 4.573 4.320 -0.000 0.000 0.258 194 K C 0.762 177.445 176.600 0.138 0.000 1.010 194 K CA -0.406 55.944 56.287 0.105 0.000 0.929 194 K CB 0.707 33.253 32.500 0.076 0.000 0.998 194 K HN 0.701 nan 8.250 nan 0.000 0.479 195 L N 1.297 122.592 121.223 0.121 0.000 2.265 195 L HA -0.194 4.146 4.340 -0.000 0.000 0.215 195 L C 1.614 178.614 176.870 0.217 0.000 1.117 195 L CA 1.078 56.005 54.840 0.144 0.000 0.782 195 L CB -0.602 41.499 42.059 0.069 0.000 0.914 195 L HN 0.748 nan 8.230 nan 0.000 0.441 196 D N -0.341 120.146 120.400 0.145 0.000 2.363 196 D HA -0.018 4.622 4.640 -0.000 0.000 0.226 196 D C 1.475 177.837 176.300 0.104 0.000 1.020 196 D CA 0.896 54.978 54.000 0.136 0.000 0.892 196 D CB 0.141 40.994 40.800 0.089 0.000 0.900 196 D HN 0.287 nan 8.370 nan 0.000 0.531 197 G N -0.730 108.140 108.800 0.116 0.000 2.176 197 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.232 197 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.232 197 G C 0.346 175.357 174.900 0.186 0.000 0.986 197 G CA 0.134 45.304 45.100 0.117 0.000 0.643 197 G HN 0.430 nan 8.290 nan 0.000 0.522 198 T N 1.774 116.409 114.554 0.135 0.000 2.829 198 T HA 0.334 4.684 4.350 -0.000 0.000 0.293 198 T C 0.483 175.218 174.700 0.059 0.000 0.970 198 T CA 0.604 62.757 62.100 0.089 0.000 1.168 198 T CB 1.240 70.139 68.868 0.051 0.000 0.911 198 T HN 0.422 nan 8.240 nan 0.000 0.535 199 K N 4.050 124.447 120.400 -0.005 0.000 2.273 199 K HA 0.173 4.493 4.320 -0.000 0.000 0.287 199 K C 0.383 176.833 176.600 -0.250 0.000 1.089 199 K CA -0.588 55.527 56.287 -0.286 0.000 0.909 199 K CB 0.367 32.741 32.500 -0.210 0.000 1.123 199 K HN 0.354 nan 8.250 nan 0.000 0.473 200 L N 5.011 126.017 121.223 -0.362 0.000 2.072 200 L HA 0.080 4.420 4.340 -0.000 0.000 0.205 200 L C 0.547 177.404 176.870 -0.022 0.000 1.079 200 L CA 1.029 55.760 54.840 -0.181 0.000 0.752 200 L CB -0.365 41.574 42.059 -0.199 0.000 0.906 200 L HN 0.706 nan 8.230 nan 0.000 0.436 201 W N -2.399 118.797 121.300 -0.174 0.000 2.986 201 W HA 0.489 5.149 4.660 0.000 0.000 0.345 201 W C -1.116 175.295 176.519 -0.181 0.000 1.191 201 W CA -1.078 56.179 57.345 -0.147 0.000 1.170 201 W CB 1.270 30.663 29.460 -0.112 0.000 1.438 201 W HN -0.265 nan 8.180 nan 0.000 0.567 202 R N 1.520 122.200 120.500 0.300 0.000 2.575 202 R HA 0.694 5.034 4.340 -0.000 0.000 0.293 202 R C -1.587 174.832 176.300 0.199 0.000 0.983 202 R CA -0.628 55.595 56.100 0.205 0.000 0.887 202 R CB 1.938 32.252 30.300 0.024 0.000 1.184 202 R HN 0.560 nan 8.270 nan 0.000 0.445 203 I N 3.300 123.964 120.570 0.156 0.000 2.377 203 I HA 0.257 4.427 4.170 -0.000 0.000 0.293 203 I C -0.400 175.689 176.117 -0.046 0.000 0.987 203 I CA -0.919 60.334 61.300 -0.078 0.000 1.185 203 I CB 1.785 39.565 38.000 -0.367 0.000 1.341 203 I HN 0.523 nan 8.210 nan 0.000 0.455 204 N N 6.866 125.541 118.700 -0.041 0.000 2.469 204 N HA 0.205 4.945 4.740 -0.000 0.000 0.253 204 N C 0.488 175.999 175.510 0.002 0.000 0.970 204 N CA -0.425 52.618 53.050 -0.013 0.000 0.940 204 N CB 1.359 39.844 38.487 -0.002 0.000 1.128 204 N HN 0.529 nan 8.380 nan 0.000 0.503 205 L N 2.363 123.590 121.223 0.008 0.000 2.275 205 L HA 0.096 4.436 4.340 -0.000 0.000 0.215 205 L C 1.378 178.270 176.870 0.037 0.000 1.119 205 L CA 1.453 56.307 54.840 0.024 0.000 0.790 205 L CB -1.886 40.182 42.059 0.014 0.000 0.919 205 L HN 0.852 nan 8.230 nan 0.000 0.443 206 G N 0.534 109.356 108.800 0.037 0.000 2.757 206 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.638 206 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.638 206 G C 0.752 175.670 174.900 0.031 0.000 1.344 206 G CA 0.110 45.235 45.100 0.043 0.000 0.855 206 G HN 0.368 nan 8.290 nan 0.000 0.537 207 K N -0.611 119.811 120.400 0.038 0.000 2.280 207 K HA -0.037 4.282 4.320 -0.000 0.000 0.202 207 K C 1.446 178.053 176.600 0.013 0.000 1.047 207 K CA 1.944 58.250 56.287 0.032 0.000 0.942 207 K CB -0.131 32.397 32.500 0.046 0.000 0.739 207 K HN 0.429 nan 8.250 nan 0.000 0.457 208 N N 0.358 119.071 118.700 0.022 0.000 2.322 208 N HA 0.126 4.866 4.740 -0.000 0.000 0.194 208 N C -0.812 174.671 175.510 -0.046 0.000 1.126 208 N CA -0.101 52.961 53.050 0.020 0.000 0.845 208 N CB 0.477 39.019 38.487 0.093 0.000 0.976 208 N HN 0.084 nan 8.380 nan 0.000 0.475 209 I N 1.477 122.008 120.570 -0.064 0.000 2.390 209 I HA 0.213 4.382 4.170 -0.000 0.000 0.283 209 I C 0.226 176.238 176.117 -0.175 0.000 1.016 209 I CA -0.569 60.664 61.300 -0.112 0.000 1.151 209 I CB 1.040 39.001 38.000 -0.066 0.000 1.293 209 I HN 0.049 nan 8.210 nan 0.000 0.458 210 R N 3.786 124.077 120.500 -0.347 0.000 2.590 210 R HA 0.448 4.788 4.340 -0.000 0.000 0.274 210 R C 0.011 176.044 176.300 -0.445 0.000 1.061 210 R CA -0.191 55.586 56.100 -0.539 0.000 1.081 210 R CB 0.847 30.528 30.300 -1.032 0.000 0.984 210 R HN 0.742 nan 8.270 nan 0.000 0.448 211 A N 2.303 124.971 122.820 -0.253 0.000 2.328 211 A HA 0.638 4.958 4.320 -0.000 0.000 0.284 211 A C -0.094 177.535 177.584 0.076 0.000 1.160 211 A CA 0.324 52.328 52.037 -0.054 0.000 0.818 211 A CB 1.102 20.075 19.000 -0.046 0.000 1.087 211 A HN 0.894 nan 8.150 nan 0.000 0.504 212 G N -0.845 108.102 108.800 0.245 0.000 2.347 212 G HA2 0.560 4.520 3.960 -0.000 0.000 0.303 212 G HA3 0.560 4.520 3.960 -0.000 0.000 0.303 212 G C 0.440 175.466 174.900 0.210 0.000 1.481 212 G CA -0.061 45.218 45.100 0.300 0.000 0.914 212 G HN 1.554 nan 8.290 nan 0.000 0.638 213 A N -0.234 122.591 122.820 0.008 0.000 1.948 213 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 213 A C 1.602 178.969 177.584 -0.362 0.000 1.177 213 A CA 2.282 54.190 52.037 -0.215 0.000 0.636 213 A CB -0.606 18.158 19.000 -0.393 0.000 0.815 213 A HN 0.740 nan 8.150 nan 0.000 0.449 214 H N -2.968 116.069 119.070 -0.055 0.000 2.551 214 H HA 0.172 4.728 4.556 -0.000 0.000 0.271 214 H C 0.874 176.112 175.328 -0.149 0.000 0.984 214 H CA 0.307 56.254 56.048 -0.168 0.000 1.164 214 H CB -0.010 29.578 29.762 -0.291 0.000 1.437 214 H HN 0.645 nan 8.280 nan 0.000 0.550 215 Y N 1.611 122.039 120.300 0.213 0.000 2.483 215 Y HA 0.041 4.591 4.550 -0.000 0.000 0.243 215 Y C 1.485 177.404 175.900 0.031 0.000 1.024 215 Y CA 0.332 58.537 58.100 0.174 0.000 1.091 215 Y CB -0.580 37.925 38.460 0.075 0.000 1.034 215 Y HN -0.192 nan 8.280 nan 0.000 0.475 216 T N 3.995 118.668 114.554 0.198 0.000 2.817 216 T HA 0.113 4.463 4.350 -0.000 0.000 0.295 216 T C -0.581 174.247 174.700 0.214 0.000 0.958 216 T CA -0.220 61.958 62.100 0.130 0.000 1.157 216 T CB -0.051 68.903 68.868 0.143 0.000 0.898 216 T HN 0.106 nan 8.240 nan 0.000 0.536 217 Q N 3.704 123.617 119.800 0.188 0.000 2.347 217 Q HA 0.338 4.678 4.340 -0.000 0.000 0.265 217 Q C -0.706 175.433 176.000 0.231 0.000 1.024 217 Q CA -0.549 55.372 55.803 0.196 0.000 0.731 217 Q CB 1.169 30.005 28.738 0.164 0.000 1.245 217 Q HN 0.776 nan 8.270 nan 0.000 0.472 218 F N 0.270 120.284 119.950 0.108 0.000 2.427 218 F HA 0.708 5.235 4.527 -0.000 0.000 0.346 218 F C -0.246 175.632 175.800 0.130 0.000 1.120 218 F CA -1.080 56.989 58.000 0.115 0.000 1.033 218 F CB 1.043 40.110 39.000 0.112 0.000 1.126 218 F HN 0.131 nan 8.300 nan 0.000 0.462 219 M N 5.146 124.862 119.600 0.193 0.000 2.180 219 M HA 0.408 4.888 4.480 -0.000 0.000 0.350 219 M C -1.033 175.400 176.300 0.222 0.000 1.125 219 M CA -0.759 54.622 55.300 0.135 0.000 1.031 219 M CB 1.666 34.338 32.600 0.120 0.000 1.623 219 M HN 0.567 nan 8.290 nan 0.000 0.451 220 V N 5.386 125.435 119.914 0.226 0.000 2.357 220 V HA 0.556 4.676 4.120 -0.000 0.000 0.284 220 V C -1.189 175.110 176.094 0.341 0.000 1.018 220 V CA -0.606 61.859 62.300 0.275 0.000 0.841 220 V CB 1.347 33.328 31.823 0.263 0.000 0.991 220 V HN 0.823 nan 8.190 nan 0.000 0.437 221 Y N 2.054 122.439 120.300 0.143 0.000 2.620 221 Y HA 0.294 4.844 4.550 -0.000 0.000 0.331 221 Y C -0.708 175.278 175.900 0.144 0.000 1.173 221 Y CA -1.121 57.063 58.100 0.140 0.000 1.076 221 Y CB 1.701 40.233 38.460 0.120 0.000 1.336 221 Y HN 0.660 nan 8.280 nan 0.000 0.459 222 D N 3.798 124.179 120.400 -0.032 0.000 2.470 222 D HA 0.175 4.815 4.640 -0.000 0.000 0.226 222 D C 0.599 177.060 176.300 0.268 0.000 1.196 222 D CA 0.546 54.607 54.000 0.101 0.000 0.979 222 D CB 0.228 41.027 40.800 -0.003 0.000 1.059 222 D HN 0.664 nan 8.370 nan 0.000 0.515 223 L N 1.853 123.271 121.223 0.326 0.000 2.093 223 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 223 L C 1.761 178.763 176.870 0.221 0.000 1.085 223 L CA 1.068 56.095 54.840 0.311 0.000 0.755 223 L CB -0.062 42.207 42.059 0.350 0.000 0.904 223 L HN 0.367 nan 8.230 nan 0.000 0.435 224 D N -1.226 119.306 120.400 0.219 0.000 2.367 224 D HA 0.045 4.685 4.640 -0.000 0.000 0.207 224 D C 1.359 177.697 176.300 0.063 0.000 1.034 224 D CA 0.736 54.775 54.000 0.065 0.000 0.861 224 D CB 0.210 40.966 40.800 -0.072 0.000 0.943 224 D HN 0.168 nan 8.370 nan 0.000 0.515 225 G N 1.812 110.674 108.800 0.102 0.000 2.149 225 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.235 225 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.235 225 G C 0.381 175.337 174.900 0.092 0.000 1.018 225 G CA 0.395 45.557 45.100 0.103 0.000 0.728 225 G HN 0.531 nan 8.290 nan 0.000 0.508 226 D N -0.577 119.872 120.400 0.081 0.000 2.349 226 D HA 0.360 5.000 4.640 -0.000 0.000 0.214 226 D C 1.747 178.087 176.300 0.067 0.000 1.063 226 D CA 0.615 54.657 54.000 0.069 0.000 0.847 226 D CB -0.337 40.500 40.800 0.063 0.000 0.933 226 D HN 1.557 nan 8.370 nan 0.000 0.513 227 G N 0.202 109.041 108.800 0.065 0.000 2.176 227 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.232 227 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.232 227 G C 0.038 174.967 174.900 0.048 0.000 0.986 227 G CA -0.033 45.097 45.100 0.051 0.000 0.643 227 G HN 0.443 nan 8.290 nan 0.000 0.522 228 K N 0.468 120.908 120.400 0.067 0.000 2.324 228 K HA 0.738 5.058 4.320 -0.000 0.000 0.253 228 K C 0.245 176.904 176.600 0.099 0.000 0.932 228 K CA -0.173 56.163 56.287 0.081 0.000 0.799 228 K CB 2.271 34.825 32.500 0.091 0.000 1.154 228 K HN 0.495 nan 8.250 nan 0.000 0.425 229 A N 2.909 125.793 122.820 0.106 0.000 2.407 229 A HA 0.193 4.513 4.320 -0.000 0.000 0.248 229 A C 0.032 177.714 177.584 0.163 0.000 1.082 229 A CA -0.225 51.889 52.037 0.129 0.000 0.785 229 A CB 0.273 19.358 19.000 0.142 0.000 1.020 229 A HN 0.750 nan 8.150 nan 0.000 0.489 230 E N 0.800 121.101 120.200 0.167 0.000 2.334 230 E HA 0.667 5.017 4.350 -0.000 0.000 0.256 230 E C -1.342 175.364 176.600 0.178 0.000 0.958 230 E CA -0.906 55.578 56.400 0.139 0.000 0.821 230 E CB 1.149 30.873 29.700 0.039 0.000 1.269 230 E HN 0.247 nan 8.360 nan 0.000 0.413 231 V N -0.073 119.946 119.914 0.175 0.000 2.483 231 V HA 0.645 4.765 4.120 -0.000 0.000 0.297 231 V C -0.648 175.588 176.094 0.236 0.000 1.027 231 V CA -0.757 61.695 62.300 0.254 0.000 0.855 231 V CB 1.238 33.250 31.823 0.314 0.000 0.995 231 V HN 0.854 nan 8.190 nan 0.000 0.424 232 A N 7.140 130.079 122.820 0.197 0.000 2.355 232 A HA 1.063 5.383 4.320 -0.000 0.000 0.317 232 A C -0.557 177.141 177.584 0.191 0.000 1.094 232 A CA -0.561 51.546 52.037 0.117 0.000 0.764 232 A CB 1.584 20.582 19.000 -0.003 0.000 1.230 232 A HN 1.120 nan 8.150 nan 0.000 0.448 233 M N 0.345 120.055 119.600 0.184 0.000 2.790 233 M HA 0.484 4.964 4.480 -0.000 0.000 0.272 233 M C -0.909 175.473 176.300 0.136 0.000 1.168 233 M CA -0.812 54.601 55.300 0.190 0.000 0.829 233 M CB 1.487 34.234 32.600 0.245 0.000 1.675 233 M HN 0.486 nan 8.290 nan 0.000 0.505 234 K N 1.856 122.284 120.400 0.046 0.000 2.412 234 K HA 0.452 4.772 4.320 -0.000 0.000 0.281 234 K C -0.567 176.006 176.600 -0.045 0.000 1.027 234 K CA 0.521 56.750 56.287 -0.095 0.000 0.989 234 K CB 0.723 32.878 32.500 -0.575 0.000 0.935 234 K HN 0.816 nan 8.250 nan 0.000 0.475 235 T N 0.022 114.588 114.554 0.020 0.000 2.831 235 T HA 0.867 5.216 4.350 -0.000 0.000 0.287 235 T C -0.856 173.890 174.700 0.076 0.000 1.070 235 T CA -0.887 61.273 62.100 0.099 0.000 1.010 235 T CB 1.821 70.812 68.868 0.206 0.000 1.264 235 T HN 0.627 nan 8.240 nan 0.000 0.532 236 A N -0.113 122.796 122.820 0.148 0.000 2.568 236 A HA 0.662 4.982 4.320 -0.000 0.000 0.291 236 A C -1.412 176.333 177.584 0.268 0.000 1.159 236 A CA -0.922 51.152 52.037 0.062 0.000 0.679 236 A CB 0.562 19.537 19.000 -0.042 0.000 1.285 236 A HN 0.835 nan 8.150 nan 0.000 0.428 237 D N 0.339 120.892 120.400 0.255 0.000 2.533 237 D HA 0.357 4.997 4.640 -0.000 0.000 0.236 237 D C 1.299 177.704 176.300 0.175 0.000 1.137 237 D CA 2.434 56.608 54.000 0.291 0.000 0.867 237 D CB 0.672 41.645 40.800 0.289 0.000 1.170 237 D HN 1.568 nan 8.370 nan 0.000 0.474 238 G N 2.261 111.146 108.800 0.140 0.000 2.195 238 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 238 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 238 G C 0.633 175.584 174.900 0.086 0.000 0.984 238 G CA 0.231 45.386 45.100 0.092 0.000 0.633 238 G HN 0.582 nan 8.290 nan 0.000 0.525 239 T N 1.574 116.197 114.554 0.114 0.000 2.867 239 T HA 0.375 4.725 4.350 -0.000 0.000 0.297 239 T C 0.328 175.085 174.700 0.096 0.000 0.989 239 T CA 0.831 62.998 62.100 0.111 0.000 1.159 239 T CB 1.129 70.099 68.868 0.169 0.000 0.928 239 T HN 0.457 nan 8.240 nan 0.000 0.538 240 K N 3.700 124.137 120.400 0.061 0.000 2.265 240 K HA 0.227 4.546 4.320 -0.000 0.000 0.267 240 K C -0.045 176.567 176.600 0.019 0.000 0.994 240 K CA -0.922 55.389 56.287 0.041 0.000 0.860 240 K CB 0.767 33.280 32.500 0.021 0.000 1.099 240 K HN 0.697 nan 8.250 nan 0.000 0.448 241 D N 3.040 123.470 120.400 0.050 0.000 2.414 241 D HA 0.045 4.685 4.640 -0.000 0.000 0.251 241 D C 1.099 177.350 176.300 -0.082 0.000 1.252 241 D CA -0.254 53.754 54.000 0.012 0.000 0.999 241 D CB 0.435 41.343 40.800 0.180 0.000 1.093 241 D HN 0.567 nan 8.370 nan 0.000 0.515 242 G N -1.628 107.057 108.800 -0.192 0.000 2.498 242 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 242 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 242 G C 1.287 176.164 174.900 -0.039 0.000 1.119 242 G CA 1.277 46.299 45.100 -0.130 0.000 0.766 242 G HN 0.718 nan 8.290 nan 0.000 0.552 243 T N -3.537 110.991 114.554 -0.044 0.000 3.086 243 T HA 0.407 4.757 4.350 -0.000 0.000 0.250 243 T C 1.726 176.423 174.700 -0.005 0.000 1.074 243 T CA 0.879 62.970 62.100 -0.015 0.000 0.988 243 T CB 0.267 69.124 68.868 -0.017 0.000 0.988 243 T HN 1.232 nan 8.240 nan 0.000 0.530 244 G N 1.302 110.098 108.800 -0.005 0.000 2.141 244 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.231 244 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.231 244 G C -0.133 174.770 174.900 0.004 0.000 0.984 244 G CA 0.097 45.198 45.100 0.001 0.000 0.660 244 G HN 0.811 nan 8.290 nan 0.000 0.525 245 K N 0.758 121.161 120.400 0.006 0.000 2.234 245 K HA 0.572 4.892 4.320 -0.000 0.000 0.282 245 K C 0.304 176.916 176.600 0.019 0.000 1.039 245 K CA -0.580 55.711 56.287 0.007 0.000 0.928 245 K CB 1.028 33.528 32.500 -0.002 0.000 1.039 245 K HN 0.014 nan 8.250 nan 0.000 0.470 246 V N 6.294 126.219 119.914 0.018 0.000 2.465 246 V HA 0.251 4.371 4.120 -0.000 0.000 0.279 246 V C 0.446 176.555 176.094 0.025 0.000 1.045 246 V CA -0.717 61.602 62.300 0.032 0.000 0.938 246 V CB 1.116 32.958 31.823 0.032 0.000 0.986 246 V HN 0.715 nan 8.190 nan 0.000 0.467 247 I N 4.635 125.228 120.570 0.039 0.000 2.474 247 I HA 0.520 4.690 4.170 -0.000 0.000 0.287 247 I C 1.285 177.427 176.117 0.041 0.000 1.048 247 I CA 1.083 62.383 61.300 0.001 0.000 1.383 247 I CB 0.648 38.653 38.000 0.008 0.000 1.412 247 I HN 0.945 nan 8.210 nan 0.000 0.531 248 G N 6.289 115.074 108.800 -0.025 0.000 2.528 248 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.262 248 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.262 248 G C -0.063 174.892 174.900 0.093 0.000 1.200 248 G CA -0.485 44.651 45.100 0.060 0.000 0.951 248 G HN 0.625 nan 8.290 nan 0.000 0.566 249 N N 2.032 120.821 118.700 0.149 0.000 2.439 249 N HA 0.453 5.193 4.740 -0.000 0.000 0.243 249 N C 1.415 176.975 175.510 0.083 0.000 1.088 249 N CA 0.743 53.856 53.050 0.105 0.000 0.940 249 N CB 1.051 39.610 38.487 0.121 0.000 1.180 249 N HN 0.957 nan 8.380 nan 0.000 0.505 250 A N 3.474 126.327 122.820 0.055 0.000 1.948 250 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 250 A C 1.425 179.028 177.584 0.030 0.000 1.177 250 A CA 1.632 53.695 52.037 0.044 0.000 0.636 250 A CB -0.233 18.784 19.000 0.029 0.000 0.815 250 A HN 0.687 nan 8.150 nan 0.000 0.449 251 N N -0.766 117.942 118.700 0.013 0.000 2.205 251 N HA 0.415 5.155 4.740 -0.000 0.000 0.201 251 N C 0.249 175.729 175.510 -0.049 0.000 1.128 251 N CA 0.283 53.327 53.050 -0.010 0.000 0.867 251 N CB 0.326 38.806 38.487 -0.012 0.000 0.996 251 N HN 0.468 nan 8.380 nan 0.000 0.503 252 A N 0.979 123.762 122.820 -0.061 0.000 2.540 252 A HA 0.095 4.415 4.320 -0.000 0.000 0.239 252 A C -0.246 177.184 177.584 -0.256 0.000 1.061 252 A CA 0.506 52.420 52.037 -0.206 0.000 0.758 252 A CB 0.195 19.100 19.000 -0.158 0.000 0.991 252 A HN 0.139 nan 8.150 nan 0.000 0.502 253 D N 1.449 121.601 120.400 -0.413 0.000 2.421 253 D HA 0.379 5.019 4.640 -0.000 0.000 0.254 253 D C -0.990 175.098 176.300 -0.354 0.000 1.238 253 D CA -0.237 53.611 54.000 -0.254 0.000 0.919 253 D CB 0.368 41.100 40.800 -0.113 0.000 1.152 253 D HN 0.393 nan 8.370 nan 0.000 0.552 254 Y N 1.634 121.935 120.300 0.002 0.000 2.571 254 Y HA 0.288 4.838 4.550 -0.000 0.000 0.275 254 Y C 0.871 176.756 175.900 -0.026 0.000 1.179 254 Y CA -0.352 57.741 58.100 -0.012 0.000 1.242 254 Y CB 0.196 38.638 38.460 -0.030 0.000 1.126 254 Y HN 0.039 nan 8.280 nan 0.000 0.524 255 R N 2.478 123.020 120.500 0.071 0.000 2.401 255 R HA 0.041 4.381 4.340 -0.000 0.000 0.299 255 R C 0.465 176.763 176.300 -0.003 0.000 1.064 255 R CA -0.251 55.848 56.100 -0.003 0.000 1.000 255 R CB 0.191 30.497 30.300 0.011 0.000 0.973 255 R HN 0.305 nan 8.270 nan 0.000 0.438 256 N N 1.664 120.329 118.700 -0.058 0.000 2.366 256 N HA -0.049 4.691 4.740 -0.000 0.000 0.277 256 N C 0.317 175.800 175.510 -0.045 0.000 1.275 256 N CA -0.229 52.808 53.050 -0.022 0.000 0.964 256 N CB 0.433 38.916 38.487 -0.007 0.000 1.167 256 N HN 0.482 nan 8.380 nan 0.000 0.568 257 E N -1.066 119.144 120.200 0.017 0.000 2.265 257 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 257 E C 0.732 177.348 176.600 0.026 0.000 0.996 257 E CA 1.021 57.461 56.400 0.067 0.000 0.832 257 E CB -0.034 29.704 29.700 0.063 0.000 0.756 257 E HN 0.584 nan 8.360 nan 0.000 0.491 258 Q N -0.931 118.825 119.800 -0.073 0.000 2.220 258 Q HA 0.143 4.483 4.340 -0.000 0.000 0.205 258 Q C 0.643 176.465 176.000 -0.296 0.000 0.865 258 Q CA 0.312 56.056 55.803 -0.098 0.000 0.960 258 Q CB 1.348 30.074 28.738 -0.021 0.000 1.097 258 Q HN 0.349 nan 8.270 nan 0.000 0.493 259 G N 2.004 110.411 108.800 -0.655 0.000 2.143 259 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 259 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 259 G C -0.013 174.626 174.900 -0.436 0.000 0.991 259 G CA 0.069 44.590 45.100 -0.965 0.000 0.689 259 G HN 0.237 nan 8.290 nan 0.000 0.522 260 R N -0.858 119.487 120.500 -0.258 0.000 2.536 260 R HA 0.586 4.926 4.340 -0.000 0.000 0.279 260 R C -0.192 176.039 176.300 -0.115 0.000 1.001 260 R CA -0.739 55.273 56.100 -0.148 0.000 1.027 260 R CB 1.901 32.169 30.300 -0.052 0.000 1.096 260 R HN 0.070 nan 8.270 nan 0.000 0.502 261 V N 4.476 124.335 119.914 -0.091 0.000 2.259 261 V HA 0.167 4.287 4.120 -0.000 0.000 0.267 261 V C 0.461 176.537 176.094 -0.029 0.000 1.051 261 V CA -0.143 62.131 62.300 -0.043 0.000 0.830 261 V CB 0.560 32.350 31.823 -0.054 0.000 1.080 261 V HN 0.666 nan 8.190 nan 0.000 0.467 262 L N 3.489 124.703 121.223 -0.015 0.000 2.910 262 L HA 0.375 4.714 4.340 -0.000 0.000 0.252 262 L C 0.629 177.480 176.870 -0.032 0.000 1.195 262 L CA 0.128 54.955 54.840 -0.021 0.000 1.003 262 L CB 0.342 42.397 42.059 -0.007 0.000 1.328 262 L HN 0.766 nan 8.230 nan 0.000 0.540 263 S N -1.522 114.137 115.700 -0.068 0.000 2.656 263 S HA 0.871 5.341 4.470 -0.000 0.000 0.273 263 S C -0.177 174.138 174.600 -0.476 0.000 1.168 263 S CA -0.246 57.865 58.200 -0.149 0.000 0.817 263 S CB 2.223 65.407 63.200 -0.027 0.000 1.146 263 S HN 0.309 nan 8.310 nan 0.000 0.475 264 G N 0.584 108.972 108.800 -0.687 0.000 2.707 264 G HA2 0.141 4.101 3.960 -0.000 0.000 0.686 264 G HA3 0.141 4.101 3.960 -0.000 0.000 0.686 264 G C -3.327 171.181 174.900 -0.654 0.000 1.315 264 G CA -0.576 43.754 45.100 -1.283 0.000 0.832 264 G HN 0.809 nan 8.290 nan 0.000 0.573 265 P HA 0.409 nan 4.420 nan 0.000 0.270 265 P C -0.232 176.701 177.300 -0.612 0.000 1.223 265 P CA 0.186 63.028 63.100 -0.431 0.000 0.785 265 P CB 0.587 32.075 31.700 -0.353 0.000 0.923 266 E N 0.555 120.436 120.200 -0.531 0.000 2.272 266 E HA 0.455 4.805 4.350 -0.000 0.000 0.269 266 E C -1.102 175.314 176.600 -0.307 0.000 0.877 266 E CA -0.504 55.621 56.400 -0.459 0.000 0.755 266 E CB 1.314 30.898 29.700 -0.193 0.000 1.192 266 E HN 0.345 nan 8.360 nan 0.000 0.422 267 Y N 0.596 120.925 120.300 0.048 0.000 2.598 267 Y HA 0.563 5.112 4.550 -0.000 0.000 0.340 267 Y C -0.669 175.309 175.900 0.130 0.000 1.038 267 Y CA -1.289 56.858 58.100 0.078 0.000 1.100 267 Y CB 1.138 39.603 38.460 0.008 0.000 1.281 267 Y HN 0.349 nan 8.280 nan 0.000 0.488 268 L N 1.373 122.752 121.223 0.261 0.000 2.349 268 L HA 0.750 5.090 4.340 -0.000 0.000 0.278 268 L C -0.831 175.986 176.870 -0.088 0.000 0.996 268 L CA -0.123 54.780 54.840 0.105 0.000 0.825 268 L CB 1.603 43.622 42.059 -0.067 0.000 1.243 268 L HN 0.680 nan 8.230 nan 0.000 0.412 269 T N 4.197 118.653 114.554 -0.162 0.000 2.841 269 T HA 0.611 4.960 4.350 -0.000 0.000 0.283 269 T C -0.818 173.580 174.700 -0.503 0.000 1.000 269 T CA -0.444 61.394 62.100 -0.437 0.000 0.977 269 T CB 1.781 70.208 68.868 -0.735 0.000 0.979 269 T HN 0.313 nan 8.240 nan 0.000 0.446 270 V N 4.112 123.670 119.914 -0.593 0.000 2.370 270 V HA 0.494 4.614 4.120 -0.000 0.000 0.279 270 V C -0.751 174.972 176.094 -0.617 0.000 1.029 270 V CA -0.697 61.254 62.300 -0.582 0.000 0.870 270 V CB 0.219 31.489 31.823 -0.921 0.000 0.984 270 V HN 0.744 nan 8.190 nan 0.000 0.451 271 F N 2.219 122.009 119.950 -0.267 0.000 2.422 271 F HA 0.446 4.973 4.527 -0.000 0.000 0.333 271 F C 0.560 176.220 175.800 -0.234 0.000 1.095 271 F CA -0.542 57.295 58.000 -0.271 0.000 1.038 271 F CB 1.387 40.183 39.000 -0.341 0.000 1.156 271 F HN 0.433 nan 8.300 nan 0.000 0.483 272 Q N 1.469 121.252 119.800 -0.029 0.000 2.311 272 Q HA 0.156 4.496 4.340 -0.000 0.000 0.272 272 Q C 1.192 177.187 176.000 -0.007 0.000 1.012 272 Q CA 0.310 56.105 55.803 -0.014 0.000 0.891 272 Q CB 1.270 29.997 28.738 -0.018 0.000 1.201 272 Q HN 0.999 nan 8.270 nan 0.000 0.391 273 G N 2.030 110.900 108.800 0.116 0.000 2.422 273 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 273 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 273 G C 1.289 176.432 174.900 0.406 0.000 1.140 273 G CA 0.826 46.086 45.100 0.266 0.000 0.775 273 G HN 0.732 nan 8.290 nan 0.000 0.545 274 S N -0.155 115.696 115.700 0.251 0.000 2.470 274 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 274 S C 1.966 176.764 174.600 0.330 0.000 1.006 274 S CA 1.712 60.077 58.200 0.273 0.000 0.934 274 S CB -0.134 63.159 63.200 0.156 0.000 0.778 274 S HN 0.507 nan 8.310 nan 0.000 0.517 275 T N -4.369 110.247 114.554 0.103 0.000 2.969 275 T HA 0.521 4.871 4.350 -0.000 0.000 0.258 275 T C 1.551 175.904 174.700 -0.578 0.000 0.962 275 T CA 0.601 62.682 62.100 -0.031 0.000 0.903 275 T CB -0.055 68.789 68.868 -0.039 0.000 1.177 275 T HN 1.130 nan 8.240 nan 0.000 0.511 276 G N 2.847 110.919 108.800 -1.213 0.000 2.155 276 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 276 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 276 G C -0.025 174.566 174.900 -0.515 0.000 0.983 276 G CA 0.601 44.777 45.100 -1.540 0.000 0.676 276 G HN 1.072 nan 8.290 nan 0.000 0.528 277 K N 0.618 120.869 120.400 -0.248 0.000 2.298 277 K HA 0.481 4.801 4.320 -0.000 0.000 0.280 277 K C 0.450 177.057 176.600 0.012 0.000 1.032 277 K CA -0.348 55.899 56.287 -0.066 0.000 0.958 277 K CB 1.114 33.577 32.500 -0.061 0.000 0.978 277 K HN 0.275 nan 8.250 nan 0.000 0.472 278 E N 4.066 124.272 120.200 0.010 0.000 2.493 278 E HA -0.100 4.250 4.350 -0.000 0.000 0.255 278 E C -0.155 176.332 176.600 -0.188 0.000 0.999 278 E CA -0.007 56.259 56.400 -0.223 0.000 0.934 278 E CB 0.425 29.998 29.700 -0.212 0.000 0.940 278 E HN 0.752 nan 8.360 nan 0.000 0.473 279 L N 4.315 125.387 121.223 -0.251 0.000 2.189 279 L HA 0.212 4.552 4.340 -0.000 0.000 0.199 279 L C 0.609 177.412 176.870 -0.112 0.000 1.074 279 L CA 0.239 55.002 54.840 -0.128 0.000 0.783 279 L CB 0.513 42.520 42.059 -0.087 0.000 0.955 279 L HN 0.397 nan 8.230 nan 0.000 0.460 280 V N -0.791 118.995 119.914 -0.214 0.000 2.851 280 V HA 0.470 4.590 4.120 -0.000 0.000 0.307 280 V C -1.332 174.607 176.094 -0.257 0.000 1.129 280 V CA -0.203 62.005 62.300 -0.154 0.000 0.932 280 V CB 2.317 34.141 31.823 0.002 0.000 1.024 280 V HN 0.069 nan 8.190 nan 0.000 0.426 281 T N 5.726 120.151 114.554 -0.215 0.000 2.848 281 T HA 0.866 5.216 4.350 -0.000 0.000 0.285 281 T C -0.322 174.289 174.700 -0.149 0.000 0.995 281 T CA 0.195 62.157 62.100 -0.229 0.000 0.970 281 T CB 1.492 70.178 68.868 -0.304 0.000 0.976 281 T HN 1.248 nan 8.240 nan 0.000 0.441 282 A N 3.256 126.024 122.820 -0.086 0.000 2.387 282 A HA 0.761 5.081 4.320 -0.000 0.000 0.303 282 A C -0.206 177.450 177.584 0.120 0.000 1.145 282 A CA -1.048 50.985 52.037 -0.005 0.000 0.801 282 A CB 0.743 19.736 19.000 -0.012 0.000 1.342 282 A HN 0.851 nan 8.150 nan 0.000 0.440 283 N N -0.045 118.754 118.700 0.165 0.000 2.458 283 N HA 0.242 4.982 4.740 -0.000 0.000 0.258 283 N C -0.715 174.923 175.510 0.214 0.000 1.219 283 N CA 0.394 53.593 53.050 0.249 0.000 0.902 283 N CB 0.300 38.895 38.487 0.180 0.000 1.076 283 N HN 0.533 nan 8.380 nan 0.000 0.455 284 F N 2.119 122.130 119.950 0.102 0.000 2.495 284 F HA 0.119 4.646 4.527 -0.000 0.000 0.365 284 F C 0.230 176.111 175.800 0.135 0.000 1.090 284 F CA 0.017 58.066 58.000 0.083 0.000 1.235 284 F CB 0.417 39.431 39.000 0.023 0.000 1.119 284 F HN 0.442 nan 8.300 nan 0.000 0.562 285 E N 6.936 126.858 120.200 -0.463 0.000 2.266 285 E HA 0.309 4.659 4.350 -0.000 0.000 0.268 285 E C -2.608 173.629 176.600 -0.606 0.000 0.879 285 E CA -2.453 53.782 56.400 -0.275 0.000 0.762 285 E CB 1.716 31.375 29.700 -0.068 0.000 1.199 285 E HN 0.335 nan 8.360 nan 0.000 0.422 286 P HA -0.004 nan 4.420 nan 0.000 0.266 286 P C -0.893 176.626 177.300 0.365 0.000 1.215 286 P CA 0.211 63.420 63.100 0.181 0.000 0.763 286 P CB 0.530 32.427 31.700 0.330 0.000 0.806 287 A N 4.163 127.157 122.820 0.290 0.000 2.406 287 A HA 0.088 4.408 4.320 -0.000 0.000 0.243 287 A C 1.781 179.584 177.584 0.365 0.000 1.082 287 A CA -0.128 52.092 52.037 0.305 0.000 0.786 287 A CB 0.024 19.140 19.000 0.192 0.000 1.029 287 A HN 0.601 nan 8.150 nan 0.000 0.495 288 R N 0.910 121.575 120.500 0.274 0.000 2.066 288 R HA 0.061 4.401 4.340 -0.000 0.000 0.232 288 R C 1.485 178.030 176.300 0.408 0.000 1.131 288 R CA 1.672 57.939 56.100 0.278 0.000 0.955 288 R CB -0.706 29.664 30.300 0.118 0.000 0.851 288 R HN 1.502 nan 8.270 nan 0.000 0.432 289 G N 0.759 109.699 108.800 0.234 0.000 2.596 289 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.295 289 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.295 289 G C -0.695 174.292 174.900 0.145 0.000 1.240 289 G CA 0.277 45.470 45.100 0.155 0.000 0.985 289 G HN 0.525 nan 8.290 nan 0.000 0.555 290 N N 0.674 119.440 118.700 0.110 0.000 2.479 290 N HA 0.330 5.070 4.740 -0.000 0.000 0.285 290 N C 1.622 177.248 175.510 0.193 0.000 1.075 290 N CA 0.107 53.216 53.050 0.100 0.000 0.967 290 N CB 1.883 40.392 38.487 0.036 0.000 1.137 290 N HN 0.345 nan 8.380 nan 0.000 0.472 291 V N 2.022 122.034 119.914 0.164 0.000 2.278 291 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 291 V C 2.393 178.609 176.094 0.203 0.000 1.062 291 V CA 2.507 64.917 62.300 0.184 0.000 1.038 291 V CB -0.769 31.089 31.823 0.060 0.000 0.646 291 V HN 0.828 nan 8.190 nan 0.000 0.447 292 S N -0.527 115.231 115.700 0.096 0.000 2.474 292 S HA -0.215 4.255 4.470 -0.000 0.000 0.235 292 S C 1.506 176.106 174.600 0.000 0.000 0.997 292 S CA 1.322 59.551 58.200 0.047 0.000 0.949 292 S CB -0.560 62.653 63.200 0.022 0.000 0.766 292 S HN 0.596 nan 8.310 nan 0.000 0.517 293 D N 1.081 121.445 120.400 -0.059 0.000 2.228 293 D HA -0.098 4.542 4.640 -0.000 0.000 0.203 293 D C 0.783 176.839 176.300 -0.407 0.000 0.988 293 D CA 1.012 54.832 54.000 -0.301 0.000 0.864 293 D CB -0.340 40.141 40.800 -0.531 0.000 0.928 293 D HN 0.735 nan 8.370 nan 0.000 0.469 294 W N -0.344 120.916 121.300 -0.067 0.000 3.211 294 W HA 0.366 5.026 4.660 -0.000 0.000 0.292 294 W C 1.521 177.988 176.519 -0.086 0.000 1.268 294 W CA 0.435 57.728 57.345 -0.086 0.000 1.702 294 W CB 0.632 30.016 29.460 -0.127 0.000 1.092 294 W HN 0.067 nan 8.180 nan 0.000 0.643 295 G N 0.604 109.450 108.800 0.077 0.000 2.227 295 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.168 295 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.168 295 G C -0.519 174.379 174.900 -0.003 0.000 1.006 295 G CA -0.173 44.941 45.100 0.024 0.000 0.684 295 G HN 0.317 nan 8.290 nan 0.000 0.489 296 D N -1.542 118.846 120.400 -0.020 0.000 2.596 296 D HA 0.689 5.329 4.640 -0.000 0.000 0.262 296 D C 0.411 176.694 176.300 -0.028 0.000 1.210 296 D CA -0.028 53.952 54.000 -0.035 0.000 0.873 296 D CB 0.793 41.508 40.800 -0.142 0.000 1.408 296 D HN -0.059 nan 8.370 nan 0.000 0.441 297 S N -1.312 114.414 115.700 0.043 0.000 2.578 297 S HA 0.090 4.560 4.470 -0.000 0.000 0.231 297 S C 0.206 174.863 174.600 0.095 0.000 0.994 297 S CA -0.379 57.856 58.200 0.058 0.000 0.956 297 S CB -0.366 62.880 63.200 0.076 0.000 0.870 297 S HN 0.575 nan 8.310 nan 0.000 0.494 298 Y N -0.675 119.624 120.300 -0.001 0.000 2.444 298 Y HA 0.591 5.140 4.550 -0.000 0.000 0.249 298 Y C 1.042 176.937 175.900 -0.009 0.000 1.134 298 Y CA 0.097 58.194 58.100 -0.006 0.000 1.261 298 Y CB -0.127 38.326 38.460 -0.013 0.000 1.143 298 Y HN 0.078 nan 8.280 nan 0.000 0.523 299 G N 1.528 110.095 108.800 -0.389 0.000 2.173 299 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.174 299 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.174 299 G C 0.328 175.015 174.900 -0.355 0.000 1.025 299 G CA 0.296 45.235 45.100 -0.268 0.000 0.706 299 G HN 0.464 nan 8.290 nan 0.000 0.499 300 N N 0.241 118.558 118.700 -0.638 0.000 2.418 300 N HA 0.078 4.817 4.740 -0.000 0.000 0.199 300 N C 2.231 177.511 175.510 -0.382 0.000 1.044 300 N CA 1.034 53.803 53.050 -0.469 0.000 0.943 300 N CB -0.092 38.043 38.487 -0.586 0.000 1.154 300 N HN 0.459 nan 8.380 nan 0.000 0.467 301 R N 0.361 120.644 120.500 -0.362 0.000 2.096 301 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 301 R C 2.085 178.151 176.300 -0.391 0.000 1.127 301 R CA 0.922 56.868 56.100 -0.256 0.000 0.968 301 R CB -0.552 29.694 30.300 -0.090 0.000 0.861 301 R HN 0.125 nan 8.270 nan 0.000 0.440 302 V N 1.487 121.141 119.914 -0.434 0.000 2.568 302 V HA -0.196 3.924 4.120 -0.000 0.000 0.253 302 V C 0.258 175.749 176.094 -1.006 0.000 1.072 302 V CA 1.936 63.699 62.300 -0.895 0.000 1.084 302 V CB -0.126 31.356 31.823 -0.568 0.000 0.676 302 V HN 0.241 nan 8.190 nan 0.000 0.469 303 D N 0.284 120.253 120.400 -0.717 0.000 2.738 303 D HA 0.211 4.851 4.640 -0.000 0.000 0.246 303 D C 0.049 175.771 176.300 -0.964 0.000 1.270 303 D CA -0.083 53.464 54.000 -0.755 0.000 0.833 303 D CB -0.037 40.709 40.800 -0.090 0.000 1.040 303 D HN 0.295 nan 8.370 nan 0.000 0.487 304 R N 0.953 120.813 120.500 -1.067 0.000 2.287 304 R HA 0.305 4.645 4.340 -0.000 0.000 0.327 304 R C -0.500 175.375 176.300 -0.708 0.000 1.109 304 R CA -0.414 55.180 56.100 -0.844 0.000 1.013 304 R CB -0.313 29.293 30.300 -1.158 0.000 1.126 304 R HN -0.039 nan 8.270 nan 0.000 0.503 305 F N 2.527 122.419 119.950 -0.096 0.000 2.458 305 F HA 0.546 5.073 4.527 -0.000 0.000 0.330 305 F C 0.623 176.511 175.800 0.146 0.000 1.082 305 F CA -0.692 57.331 58.000 0.038 0.000 0.995 305 F CB 1.285 40.294 39.000 0.015 0.000 1.170 305 F HN 0.085 nan 8.300 nan 0.000 0.478 306 L N 1.575 123.028 121.223 0.384 0.000 2.341 306 L HA 0.990 5.330 4.340 -0.000 0.000 0.254 306 L C -0.753 176.277 176.870 0.268 0.000 1.040 306 L CA -1.157 53.843 54.840 0.266 0.000 0.837 306 L CB 2.214 44.385 42.059 0.186 0.000 1.425 306 L HN 0.742 nan 8.230 nan 0.000 0.414 307 A N -0.286 122.648 122.820 0.190 0.000 2.610 307 A HA 0.941 5.261 4.320 -0.000 0.000 0.291 307 A C -0.978 176.700 177.584 0.155 0.000 1.086 307 A CA 0.042 52.187 52.037 0.180 0.000 0.677 307 A CB 1.883 20.987 19.000 0.173 0.000 1.278 307 A HN 0.865 nan 8.150 nan 0.000 0.414 308 G N -0.420 108.468 108.800 0.146 0.000 2.623 308 G HA2 0.568 4.528 3.960 -0.000 0.000 0.290 308 G HA3 0.568 4.528 3.960 -0.000 0.000 0.290 308 G C -1.738 173.218 174.900 0.093 0.000 1.437 308 G CA -0.528 44.673 45.100 0.169 0.000 0.798 308 G HN 0.627 nan 8.290 nan 0.000 0.488 309 I N 0.895 121.499 120.570 0.057 0.000 2.404 309 I HA 0.702 4.872 4.170 -0.000 0.000 0.293 309 I C 0.215 176.340 176.117 0.013 0.000 0.992 309 I CA -0.888 60.358 61.300 -0.091 0.000 1.149 309 I CB 1.020 38.775 38.000 -0.408 0.000 1.315 309 I HN 0.759 nan 8.210 nan 0.000 0.446 310 A N 5.978 128.815 122.820 0.028 0.000 2.427 310 A HA 0.604 4.924 4.320 -0.000 0.000 0.298 310 A C -1.533 176.150 177.584 0.165 0.000 1.036 310 A CA -0.489 51.642 52.037 0.157 0.000 0.701 310 A CB 0.844 19.938 19.000 0.157 0.000 1.250 310 A HN 0.489 nan 8.150 nan 0.000 0.412 311 Y N 3.730 124.052 120.300 0.036 0.000 2.636 311 Y HA 0.201 4.751 4.550 -0.000 0.000 0.334 311 Y C 1.265 177.212 175.900 0.077 0.000 1.286 311 Y CA -0.399 57.732 58.100 0.051 0.000 1.688 311 Y CB -0.195 38.296 38.460 0.052 0.000 1.662 311 Y HN 0.641 nan 8.280 nan 0.000 0.465 312 L N 0.427 121.758 121.223 0.180 0.000 2.191 312 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 312 L C 1.585 178.553 176.870 0.164 0.000 1.103 312 L CA 1.391 56.367 54.840 0.227 0.000 0.769 312 L CB -0.115 42.110 42.059 0.276 0.000 0.908 312 L HN 0.449 nan 8.230 nan 0.000 0.438 313 D N -0.965 119.505 120.400 0.116 0.000 2.349 313 D HA 0.078 4.718 4.640 -0.000 0.000 0.214 313 D C 1.473 177.816 176.300 0.071 0.000 1.063 313 D CA 0.578 54.624 54.000 0.076 0.000 0.847 313 D CB 0.281 41.124 40.800 0.071 0.000 0.933 313 D HN 0.196 nan 8.370 nan 0.000 0.513 314 G N 0.025 108.898 108.800 0.122 0.000 2.184 314 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.264 314 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.264 314 G C 0.947 175.976 174.900 0.216 0.000 0.975 314 G CA 0.702 45.884 45.100 0.137 0.000 0.642 314 G HN 0.477 nan 8.290 nan 0.000 0.536 315 Q N -1.642 118.323 119.800 0.274 0.000 2.519 315 Q HA 0.223 4.563 4.340 -0.000 0.000 0.248 315 Q C 1.169 177.401 176.000 0.387 0.000 0.804 315 Q CA -0.044 55.958 55.803 0.331 0.000 0.979 315 Q CB 1.112 29.998 28.738 0.246 0.000 1.282 315 Q HN 0.471 nan 8.270 nan 0.000 0.558 316 R N 1.157 121.734 120.500 0.128 0.000 2.807 316 R HA 0.434 4.774 4.340 -0.000 0.000 0.276 316 R C -2.690 173.183 176.300 -0.711 0.000 0.979 316 R CA -2.032 53.962 56.100 -0.176 0.000 0.928 316 R CB 1.727 32.017 30.300 -0.016 0.000 1.191 316 R HN -0.043 nan 8.270 nan 0.000 0.471 317 P HA 0.113 nan 4.420 nan 0.000 0.275 317 P C -0.884 176.227 177.300 -0.316 0.000 1.228 317 P CA -0.135 62.462 63.100 -0.840 0.000 0.786 317 P CB 1.310 32.710 31.700 -0.500 0.000 0.927 318 S N 1.327 116.892 115.700 -0.224 0.000 2.638 318 S HA 0.560 5.030 4.470 -0.000 0.000 0.302 318 S C -0.553 174.005 174.600 -0.071 0.000 1.096 318 S CA -0.625 57.517 58.200 -0.098 0.000 0.953 318 S CB 1.098 64.249 63.200 -0.083 0.000 1.107 318 S HN 0.416 nan 8.310 nan 0.000 0.503 319 L N 2.675 123.892 121.223 -0.011 0.000 2.296 319 L HA 0.593 4.933 4.340 -0.000 0.000 0.286 319 L C -1.412 175.482 176.870 0.041 0.000 1.023 319 L CA -0.313 54.545 54.840 0.030 0.000 0.812 319 L CB 0.553 42.648 42.059 0.060 0.000 1.223 319 L HN 0.464 nan 8.230 nan 0.000 0.421 320 I N 6.190 126.782 120.570 0.036 0.000 2.354 320 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 320 I C -0.317 175.865 176.117 0.109 0.000 0.989 320 I CA -0.463 60.848 61.300 0.018 0.000 1.188 320 I CB 1.498 39.522 38.000 0.039 0.000 1.342 320 I HN 0.587 nan 8.210 nan 0.000 0.457 321 M N 5.618 125.294 119.600 0.126 0.000 2.383 321 M HA 0.424 4.904 4.480 -0.000 0.000 0.325 321 M C 0.081 176.500 176.300 0.197 0.000 1.092 321 M CA -0.396 55.027 55.300 0.203 0.000 0.961 321 M CB 2.161 34.865 32.600 0.173 0.000 1.672 321 M HN 0.714 nan 8.290 nan 0.000 0.438 322 T N 0.862 115.603 114.554 0.312 0.000 2.916 322 T HA 0.847 5.197 4.350 -0.000 0.000 0.292 322 T C -0.811 174.100 174.700 0.351 0.000 1.055 322 T CA -0.926 61.350 62.100 0.293 0.000 1.009 322 T CB 3.001 72.084 68.868 0.359 0.000 1.118 322 T HN 0.804 nan 8.240 nan 0.000 0.497 323 R N 0.482 121.108 120.500 0.210 0.000 2.548 323 R HA 0.577 4.917 4.340 -0.000 0.000 0.280 323 R C -0.235 176.022 176.300 -0.070 0.000 1.061 323 R CA 0.391 56.434 56.100 -0.095 0.000 0.915 323 R CB 1.287 31.494 30.300 -0.155 0.000 1.210 323 R HN 1.621 nan 8.270 nan 0.000 0.442 324 G N 2.644 111.239 108.800 -0.341 0.000 2.716 324 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.686 324 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.686 324 G C -0.717 174.180 174.900 -0.004 0.000 1.337 324 G CA 0.175 45.179 45.100 -0.160 0.000 0.829 324 G HN 0.858 nan 8.290 nan 0.000 0.599 325 Y N -3.527 116.781 120.300 0.013 0.000 2.551 325 Y HA 0.294 4.844 4.550 -0.000 0.000 0.297 325 Y C 2.022 177.846 175.900 -0.126 0.000 0.968 325 Y CA 0.110 58.194 58.100 -0.026 0.000 1.039 325 Y CB -0.381 37.949 38.460 -0.216 0.000 1.418 325 Y HN 0.465 nan 8.280 nan 0.000 0.589 326 Y N 1.617 121.939 120.300 0.037 0.000 2.293 326 Y HA 0.274 4.824 4.550 -0.000 0.000 0.291 326 Y C 1.929 177.849 175.900 0.034 0.000 1.137 326 Y CA 1.366 59.469 58.100 0.004 0.000 1.202 326 Y CB 0.067 38.461 38.460 -0.110 0.000 0.990 326 Y HN 0.382 nan 8.280 nan 0.000 0.537 327 A N -0.503 122.432 122.820 0.192 0.000 2.770 327 A HA 0.253 4.573 4.320 -0.000 0.000 0.183 327 A C -0.387 177.259 177.584 0.103 0.000 1.077 327 A CA -0.636 51.471 52.037 0.117 0.000 1.468 327 A CB -0.370 18.677 19.000 0.079 0.000 2.037 327 A HN -0.063 nan 8.150 nan 0.000 0.730 328 K N 0.949 121.375 120.400 0.044 0.000 2.530 328 K HA 0.222 4.542 4.320 -0.000 0.000 0.280 328 K C -1.167 175.528 176.600 0.159 0.000 1.004 328 K CA 1.116 57.379 56.287 -0.040 0.000 1.071 328 K CB -0.045 32.224 32.500 -0.386 0.000 0.876 328 K HN 0.492 nan 8.250 nan 0.000 0.487 329 T N 5.334 119.959 114.554 0.118 0.000 2.928 329 T HA 0.416 4.766 4.350 -0.000 0.000 0.296 329 T C -0.747 174.017 174.700 0.106 0.000 1.000 329 T CA -0.694 61.523 62.100 0.195 0.000 0.989 329 T CB 0.921 69.874 68.868 0.142 0.000 1.005 329 T HN 0.539 nan 8.240 nan 0.000 0.442 330 M N 3.444 123.153 119.600 0.182 0.000 2.464 330 M HA 0.621 5.100 4.480 -0.000 0.000 0.308 330 M C -1.657 174.665 176.300 0.037 0.000 1.127 330 M CA -0.902 54.462 55.300 0.108 0.000 0.913 330 M CB 2.156 34.896 32.600 0.234 0.000 1.689 330 M HN 0.301 nan 8.290 nan 0.000 0.445 331 L N 2.607 123.830 121.223 0.001 0.000 2.385 331 L HA 0.775 5.115 4.340 -0.000 0.000 0.273 331 L C -0.956 175.943 176.870 0.049 0.000 0.990 331 L CA -0.598 54.260 54.840 0.030 0.000 0.821 331 L CB 2.201 44.277 42.059 0.029 0.000 1.279 331 L HN 0.389 nan 8.230 nan 0.000 0.412 332 V N 1.588 121.428 119.914 -0.123 0.000 2.656 332 V HA 0.882 5.002 4.120 -0.000 0.000 0.307 332 V C -0.194 175.472 176.094 -0.713 0.000 1.051 332 V CA -0.732 61.322 62.300 -0.410 0.000 0.893 332 V CB 1.799 33.369 31.823 -0.421 0.000 0.999 332 V HN 0.839 nan 8.190 nan 0.000 0.426 333 A N 4.135 126.230 122.820 -1.210 0.000 2.324 333 A HA 0.928 5.248 4.320 -0.000 0.000 0.330 333 A C -1.462 175.583 177.584 -0.898 0.000 1.165 333 A CA -0.378 50.990 52.037 -1.116 0.000 0.813 333 A CB 0.825 18.749 19.000 -1.794 0.000 1.197 333 A HN 0.754 nan 8.150 nan 0.000 0.484 334 Y N 0.242 120.332 120.300 -0.349 0.000 2.553 334 Y HA 0.417 4.967 4.550 -0.000 0.000 0.347 334 Y C 0.230 176.052 175.900 -0.130 0.000 1.019 334 Y CA -0.644 57.335 58.100 -0.202 0.000 1.032 334 Y CB 2.260 40.640 38.460 -0.134 0.000 1.284 334 Y HN 0.803 nan 8.280 nan 0.000 0.466 335 N N 0.851 119.611 118.700 0.100 0.000 2.430 335 N HA 0.484 5.224 4.740 -0.000 0.000 0.298 335 N C -1.961 173.651 175.510 0.171 0.000 1.130 335 N CA -0.711 52.390 53.050 0.086 0.000 0.894 335 N CB 1.556 40.056 38.487 0.020 0.000 1.209 335 N HN 0.444 nan 8.380 nan 0.000 0.503 336 F N 2.427 122.379 119.950 0.003 0.000 2.430 336 F HA 0.501 5.028 4.527 -0.000 0.000 0.362 336 F C -0.841 174.962 175.800 0.006 0.000 1.103 336 F CA -0.418 57.581 58.000 -0.002 0.000 1.045 336 F CB 0.369 39.364 39.000 -0.009 0.000 1.276 336 F HN 0.328 nan 8.300 nan 0.000 0.444 337 R N 3.610 123.829 120.500 -0.468 0.000 2.707 337 R HA 0.293 4.633 4.340 -0.000 0.000 0.272 337 R C -1.150 174.918 176.300 -0.386 0.000 1.011 337 R CA -1.040 54.840 56.100 -0.367 0.000 0.893 337 R CB 1.622 31.833 30.300 -0.147 0.000 1.233 337 R HN 0.496 nan 8.270 nan 0.000 0.464 338 D N 1.178 121.401 120.400 -0.295 0.000 2.686 338 D HA -0.190 4.450 4.640 -0.000 0.000 0.235 338 D C 0.873 177.018 176.300 -0.258 0.000 1.160 338 D CA 2.019 55.892 54.000 -0.212 0.000 0.645 338 D CB -0.957 39.767 40.800 -0.127 0.000 1.039 338 D HN 1.045 nan 8.370 nan 0.000 0.423 339 G N -0.996 107.548 108.800 -0.427 0.000 2.196 339 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.268 339 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.268 339 G C 0.230 174.995 174.900 -0.226 0.000 0.975 339 G CA 0.844 45.750 45.100 -0.323 0.000 0.648 339 G HN 0.397 nan 8.290 nan 0.000 0.538 340 K N -0.472 119.735 120.400 -0.321 0.000 2.324 340 K HA 0.645 4.964 4.320 -0.000 0.000 0.253 340 K C -0.719 175.902 176.600 0.034 0.000 0.932 340 K CA -1.147 55.095 56.287 -0.075 0.000 0.799 340 K CB 2.388 34.849 32.500 -0.066 0.000 1.154 340 K HN 0.160 nan 8.250 nan 0.000 0.425 341 L N 2.265 123.599 121.223 0.185 0.000 2.276 341 L HA 0.321 4.661 4.340 -0.000 0.000 0.286 341 L C -0.372 176.577 176.870 0.133 0.000 1.061 341 L CA 0.276 55.241 54.840 0.209 0.000 0.807 341 L CB 0.905 43.045 42.059 0.134 0.000 1.177 341 L HN 0.742 nan 8.230 nan 0.000 0.429 342 S N 3.709 119.494 115.700 0.142 0.000 2.548 342 S HA 0.580 5.050 4.470 -0.000 0.000 0.286 342 S C -0.738 173.924 174.600 0.103 0.000 1.098 342 S CA -1.004 57.255 58.200 0.098 0.000 0.930 342 S CB 1.594 64.814 63.200 0.033 0.000 1.070 342 S HN 0.636 nan 8.310 nan 0.000 0.480 343 K N 1.933 122.334 120.400 0.002 0.000 2.201 343 K HA 0.473 4.793 4.320 -0.000 0.000 0.278 343 K C 0.079 176.548 176.600 -0.218 0.000 1.027 343 K CA -0.718 55.425 56.287 -0.240 0.000 0.909 343 K CB 0.519 32.859 32.500 -0.266 0.000 1.062 343 K HN 0.789 nan 8.250 nan 0.000 0.465 344 L N 3.802 124.817 121.223 -0.346 0.000 2.286 344 L HA 0.309 4.649 4.340 -0.000 0.000 0.203 344 L C 0.406 177.233 176.870 -0.072 0.000 1.068 344 L CA -0.090 54.616 54.840 -0.223 0.000 0.811 344 L CB -0.045 41.822 42.059 -0.319 0.000 0.989 344 L HN 0.717 nan 8.230 nan 0.000 0.467 345 W N -2.269 118.920 121.300 -0.186 0.000 2.982 345 W HA 0.490 5.150 4.660 -0.000 0.000 0.344 345 W C -1.554 174.840 176.519 -0.207 0.000 1.215 345 W CA -0.740 56.504 57.345 -0.170 0.000 1.182 345 W CB 0.924 30.298 29.460 -0.144 0.000 1.437 345 W HN -0.448 nan 8.180 nan 0.000 0.570 346 T N 2.411 117.162 114.554 0.329 0.000 2.886 346 T HA 0.478 4.828 4.350 -0.000 0.000 0.292 346 T C -1.351 173.455 174.700 0.176 0.000 1.012 346 T CA -0.554 61.676 62.100 0.216 0.000 0.982 346 T CB 2.163 71.053 68.868 0.038 0.000 1.018 346 T HN 0.393 nan 8.240 nan 0.000 0.451 347 L N 3.202 124.504 121.223 0.132 0.000 2.313 347 L HA 0.726 5.066 4.340 -0.000 0.000 0.283 347 L C -1.129 175.708 176.870 -0.055 0.000 1.013 347 L CA -0.267 54.525 54.840 -0.079 0.000 0.816 347 L CB 1.298 43.210 42.059 -0.246 0.000 1.236 347 L HN 0.521 nan 8.230 nan 0.000 0.419 348 D N 1.775 122.139 120.400 -0.061 0.000 2.542 348 D HA 0.215 4.855 4.640 -0.000 0.000 0.252 348 D C 0.796 177.074 176.300 -0.036 0.000 1.222 348 D CA 0.186 54.160 54.000 -0.043 0.000 0.895 348 D CB 1.827 42.602 40.800 -0.042 0.000 1.207 348 D HN 0.607 nan 8.370 nan 0.000 0.558 349 S N 1.755 117.443 115.700 -0.020 0.000 2.442 349 S HA -0.187 4.283 4.470 -0.000 0.000 0.236 349 S C 1.699 176.283 174.600 -0.028 0.000 1.007 349 S CA 1.305 59.519 58.200 0.023 0.000 0.965 349 S CB -0.287 62.938 63.200 0.043 0.000 0.773 349 S HN 0.378 nan 8.310 nan 0.000 0.504 350 S N 0.625 116.274 115.700 -0.085 0.000 2.522 350 S HA 0.170 4.640 4.470 -0.000 0.000 0.227 350 S C 0.526 175.081 174.600 -0.075 0.000 0.986 350 S CA -0.170 57.965 58.200 -0.108 0.000 0.929 350 S CB -0.290 62.801 63.200 -0.181 0.000 0.769 350 S HN 0.228 nan 8.310 nan 0.000 0.529 351 K N 2.896 123.264 120.400 -0.054 0.000 2.258 351 K HA 0.308 4.628 4.320 -0.000 0.000 0.284 351 K C 0.038 176.622 176.600 -0.026 0.000 1.051 351 K CA -0.119 56.143 56.287 -0.041 0.000 0.923 351 K CB 1.223 33.699 32.500 -0.039 0.000 1.046 351 K HN 0.238 nan 8.250 nan 0.000 0.474 352 S N 1.227 116.910 115.700 -0.029 0.000 2.702 352 S HA 0.085 4.555 4.470 -0.000 0.000 0.314 352 S C 1.296 175.889 174.600 -0.011 0.000 1.244 352 S CA 1.658 59.844 58.200 -0.023 0.000 1.058 352 S CB -0.373 62.812 63.200 -0.025 0.000 0.783 352 S HN 0.844 nan 8.310 nan 0.000 0.503 353 G N 4.726 113.521 108.800 -0.007 0.000 2.213 353 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.236 353 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.236 353 G C 0.485 175.420 174.900 0.058 0.000 0.991 353 G CA 0.250 45.356 45.100 0.010 0.000 0.629 353 G HN 0.668 nan 8.290 nan 0.000 0.517 354 N N 0.607 119.352 118.700 0.076 0.000 2.214 354 N HA 0.260 5.000 4.740 -0.000 0.000 0.214 354 N C 1.467 177.039 175.510 0.104 0.000 1.132 354 N CA 0.564 53.749 53.050 0.225 0.000 0.856 354 N CB 0.379 38.975 38.487 0.181 0.000 1.020 354 N HN 0.489 nan 8.380 nan 0.000 0.509 355 E N 1.186 121.365 120.200 -0.036 0.000 2.160 355 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 355 E C 1.776 178.274 176.600 -0.171 0.000 0.991 355 E CA 1.134 57.485 56.400 -0.083 0.000 0.810 355 E CB -0.128 29.523 29.700 -0.081 0.000 0.742 355 E HN 0.333 nan 8.360 nan 0.000 0.466 356 A N -0.133 122.460 122.820 -0.378 0.000 2.121 356 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 356 A C 1.043 178.278 177.584 -0.582 0.000 1.154 356 A CA 0.721 52.430 52.037 -0.547 0.000 0.679 356 A CB -0.446 18.098 19.000 -0.759 0.000 0.795 356 A HN 0.219 nan 8.150 nan 0.000 0.458 357 F N -0.256 119.670 119.950 -0.039 0.000 2.645 357 F HA 0.500 5.027 4.527 -0.000 0.000 0.300 357 F C 1.113 176.902 175.800 -0.018 0.000 1.115 357 F CA -0.285 57.686 58.000 -0.048 0.000 1.355 357 F CB -0.310 38.629 39.000 -0.102 0.000 1.026 357 F HN 0.179 nan 8.300 nan 0.000 0.536 358 A N -0.420 122.443 122.820 0.071 0.000 2.312 358 A HA 0.631 4.951 4.320 -0.000 0.000 0.328 358 A C 1.301 178.936 177.584 0.085 0.000 1.158 358 A CA 0.070 52.154 52.037 0.079 0.000 0.821 358 A CB 0.359 19.376 19.000 0.029 0.000 1.170 358 A HN 0.731 nan 8.150 nan 0.000 0.490 359 G N 0.214 109.090 108.800 0.126 0.000 2.148 359 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.254 359 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.254 359 G C 0.439 175.411 174.900 0.120 0.000 0.981 359 G CA 0.683 45.856 45.100 0.122 0.000 0.670 359 G HN 0.652 nan 8.290 nan 0.000 0.528 360 Q N -0.389 119.500 119.800 0.149 0.000 2.316 360 Q HA 0.253 4.592 4.340 -0.000 0.000 0.235 360 Q C 1.593 177.615 176.000 0.037 0.000 0.863 360 Q CA 0.707 56.579 55.803 0.115 0.000 0.939 360 Q CB 0.509 29.334 28.738 0.145 0.000 1.108 360 Q HN 0.682 nan 8.270 nan 0.000 0.522 361 G N 1.309 110.134 108.800 0.041 0.000 2.539 361 G HA2 0.294 4.254 3.960 -0.000 0.000 0.258 361 G HA3 0.294 4.254 3.960 -0.000 0.000 0.258 361 G C -0.092 174.373 174.900 -0.725 0.000 1.202 361 G CA -0.229 44.594 45.100 -0.461 0.000 0.851 361 G HN 0.029 nan 8.290 nan 0.000 0.556 362 N N -1.233 116.846 118.700 -1.035 0.000 2.478 362 N HA 0.270 5.010 4.740 -0.000 0.000 0.275 362 N C 0.643 175.319 175.510 -1.389 0.000 1.221 362 N CA -0.682 51.721 53.050 -1.078 0.000 0.979 362 N CB 0.579 38.595 38.487 -0.784 0.000 1.202 362 N HN 0.453 nan 8.380 nan 0.000 0.564 363 H N 0.224 118.827 119.070 -0.779 0.000 2.787 363 H HA 0.184 4.740 4.556 -0.000 0.000 0.302 363 H C -0.448 174.634 175.328 -0.410 0.000 1.098 363 H CA 0.221 55.923 56.048 -0.577 0.000 1.192 363 H CB -1.031 28.480 29.762 -0.418 0.000 1.316 363 H HN 0.428 nan 8.280 nan 0.000 0.590 364 N N 0.188 118.605 118.700 -0.471 0.000 3.348 364 N HA 0.256 4.996 4.740 -0.000 0.000 0.233 364 N C -1.355 173.781 175.510 -0.623 0.000 1.440 364 N CA -0.742 52.038 53.050 -0.450 0.000 0.887 364 N CB 1.797 40.051 38.487 -0.389 0.000 1.410 364 N HN 0.008 nan 8.380 nan 0.000 0.502 365 L N -3.171 117.621 121.223 -0.718 0.000 2.502 365 L HA 0.885 5.225 4.340 -0.000 0.000 0.253 365 L C -0.753 175.510 176.870 -1.011 0.000 1.070 365 L CA -0.707 53.722 54.840 -0.685 0.000 0.871 365 L CB 1.361 43.177 42.059 -0.404 0.000 1.487 365 L HN 0.656 nan 8.230 nan 0.000 0.408 366 S N -0.062 115.273 115.700 -0.607 0.000 2.599 366 S HA 0.901 5.371 4.470 -0.000 0.000 0.287 366 S C -0.831 173.736 174.600 -0.056 0.000 1.105 366 S CA -0.471 57.488 58.200 -0.402 0.000 0.899 366 S CB 1.735 64.831 63.200 -0.173 0.000 1.100 366 S HN 0.571 nan 8.310 nan 0.000 0.482 367 I N 1.354 122.058 120.570 0.223 0.000 2.512 367 I HA 0.735 4.905 4.170 -0.000 0.000 0.287 367 I C -0.553 175.685 176.117 0.201 0.000 1.069 367 I CA -0.387 61.037 61.300 0.208 0.000 1.056 367 I CB 1.763 39.916 38.000 0.255 0.000 1.229 367 I HN 0.781 nan 8.210 nan 0.000 0.429 368 A N 3.682 126.587 122.820 0.142 0.000 2.605 368 A HA 0.510 4.830 4.320 -0.000 0.000 0.294 368 A C -1.663 175.983 177.584 0.103 0.000 1.062 368 A CA -0.614 51.494 52.037 0.119 0.000 0.682 368 A CB 1.716 20.781 19.000 0.108 0.000 1.278 368 A HN 0.643 nan 8.150 nan 0.000 0.410 369 D N 1.617 122.071 120.400 0.089 0.000 2.359 369 D HA 0.281 4.921 4.640 -0.000 0.000 0.250 369 D C 1.191 177.538 176.300 0.078 0.000 1.264 369 D CA 0.603 54.651 54.000 0.081 0.000 0.911 369 D CB 0.839 41.677 40.800 0.063 0.000 1.056 369 D HN 0.770 nan 8.370 nan 0.000 0.499 370 V N 1.312 121.275 119.914 0.082 0.000 3.174 370 V HA 0.098 4.218 4.120 -0.000 0.000 0.254 370 V C 1.049 177.187 176.094 0.074 0.000 1.120 370 V CA 1.012 63.358 62.300 0.077 0.000 1.114 370 V CB -0.103 31.772 31.823 0.086 0.000 0.756 370 V HN 0.448 nan 8.190 nan 0.000 0.467 371 D N 0.127 120.573 120.400 0.076 0.000 2.398 371 D HA 0.291 4.931 4.640 -0.000 0.000 0.210 371 D C 1.626 177.960 176.300 0.057 0.000 1.094 371 D CA 0.514 54.556 54.000 0.070 0.000 0.839 371 D CB 0.263 41.112 40.800 0.081 0.000 0.963 371 D HN 0.816 nan 8.370 nan 0.000 0.506 372 G N 1.750 110.583 108.800 0.054 0.000 2.143 372 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.249 372 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.249 372 G C 0.527 175.445 174.900 0.031 0.000 0.981 372 G CA 0.471 45.597 45.100 0.043 0.000 0.665 372 G HN 0.531 nan 8.290 nan 0.000 0.528 373 D N -0.331 120.085 120.400 0.026 0.000 2.340 373 D HA 0.378 5.018 4.640 -0.000 0.000 0.220 373 D C 1.898 178.185 176.300 -0.021 0.000 1.039 373 D CA 0.817 54.817 54.000 -0.001 0.000 0.866 373 D CB -0.518 40.275 40.800 -0.012 0.000 0.913 373 D HN 1.553 nan 8.370 nan 0.000 0.523 374 G N -0.117 108.683 108.800 0.001 0.000 2.225 374 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.254 374 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.254 374 G C 0.216 175.122 174.900 0.010 0.000 0.988 374 G CA 0.314 45.418 45.100 0.007 0.000 0.625 374 G HN 0.504 nan 8.290 nan 0.000 0.527 375 K N 0.896 121.280 120.400 -0.026 0.000 2.118 375 K HA 0.520 4.840 4.320 -0.000 0.000 0.254 375 K C -0.943 175.702 176.600 0.075 0.000 0.961 375 K CA -0.911 55.368 56.287 -0.014 0.000 0.876 375 K CB 1.071 33.414 32.500 -0.260 0.000 1.077 375 K HN 0.047 nan 8.250 nan 0.000 0.440 376 D N 2.216 122.704 120.400 0.147 0.000 2.304 376 D HA 0.136 4.776 4.640 -0.000 0.000 0.250 376 D C -0.256 176.157 176.300 0.189 0.000 1.107 376 D CA -0.052 54.048 54.000 0.166 0.000 0.885 376 D CB 1.325 42.242 40.800 0.196 0.000 1.192 376 D HN 0.329 nan 8.370 nan 0.000 0.436 377 E N 0.517 120.804 120.200 0.145 0.000 2.239 377 E HA 0.565 4.915 4.350 -0.000 0.000 0.261 377 E C -0.352 176.305 176.600 0.095 0.000 1.016 377 E CA -0.638 55.827 56.400 0.108 0.000 0.882 377 E CB 1.580 31.321 29.700 0.068 0.000 1.190 377 E HN 0.288 nan 8.360 nan 0.000 0.415 378 I N 1.856 122.459 120.570 0.054 0.000 2.362 378 I HA 0.258 4.428 4.170 -0.000 0.000 0.289 378 I C -0.693 175.429 176.117 0.009 0.000 0.994 378 I CA -0.680 60.655 61.300 0.059 0.000 1.158 378 I CB 0.992 39.053 38.000 0.101 0.000 1.315 378 I HN 0.215 nan 8.210 nan 0.000 0.451 379 I N 6.771 127.337 120.570 -0.007 0.000 2.291 379 I HA 0.115 4.285 4.170 -0.000 0.000 0.292 379 I C -0.406 175.681 176.117 -0.050 0.000 1.064 379 I CA -0.034 61.239 61.300 -0.046 0.000 1.269 379 I CB 0.073 38.028 38.000 -0.075 0.000 1.418 379 I HN 0.478 nan 8.210 nan 0.000 0.485 380 F N 6.547 126.390 119.950 -0.179 0.000 2.366 380 F HA 0.541 5.067 4.527 -0.000 0.000 0.328 380 F C 1.118 176.809 175.800 -0.182 0.000 1.180 380 F CA 0.153 58.047 58.000 -0.175 0.000 1.232 380 F CB 0.161 39.090 39.000 -0.118 0.000 1.513 380 F HN 0.758 nan 8.300 nan 0.000 0.540 381 G N 1.894 110.479 108.800 -0.358 0.000 2.602 381 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.310 381 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.310 381 G C 1.098 175.920 174.900 -0.129 0.000 1.183 381 G CA 0.373 45.272 45.100 -0.335 0.000 0.979 381 G HN 0.443 nan 8.290 nan 0.000 0.545 382 S N 1.548 117.229 115.700 -0.031 0.000 2.603 382 S HA 0.327 4.797 4.470 -0.000 0.000 0.220 382 S C 1.041 175.724 174.600 0.139 0.000 0.967 382 S CA 1.488 59.739 58.200 0.085 0.000 0.920 382 S CB -0.404 62.858 63.200 0.103 0.000 0.773 382 S HN 0.746 nan 8.310 nan 0.000 0.529 383 M N -0.244 119.410 119.600 0.090 0.000 2.796 383 M HA 0.890 5.370 4.480 -0.000 0.000 0.303 383 M C -1.385 174.767 176.300 -0.246 0.000 1.240 383 M CA -1.091 54.201 55.300 -0.015 0.000 0.831 383 M CB 1.841 34.537 32.600 0.160 0.000 1.750 383 M HN -0.104 nan 8.290 nan 0.000 0.484 384 A N 0.912 123.372 122.820 -0.599 0.000 2.475 384 A HA 0.792 5.112 4.320 -0.000 0.000 0.301 384 A C -1.483 175.840 177.584 -0.436 0.000 1.059 384 A CA -0.716 51.009 52.037 -0.521 0.000 0.710 384 A CB 2.046 20.601 19.000 -0.742 0.000 1.288 384 A HN 0.680 nan 8.150 nan 0.000 0.408 385 V N 1.930 121.659 119.914 -0.309 0.000 2.540 385 V HA 0.353 4.472 4.120 -0.000 0.000 0.302 385 V C -0.387 175.534 176.094 -0.287 0.000 1.035 385 V CA -0.679 61.397 62.300 -0.373 0.000 0.873 385 V CB 1.747 33.358 31.823 -0.353 0.000 0.992 385 V HN 0.994 nan 8.190 nan 0.000 0.428 386 D N 1.907 122.080 120.400 -0.378 0.000 2.377 386 D HA 0.085 4.725 4.640 -0.000 0.000 0.245 386 D C 1.557 177.668 176.300 -0.315 0.000 1.196 386 D CA -0.135 53.682 54.000 -0.304 0.000 0.962 386 D CB 0.726 41.298 40.800 -0.380 0.000 1.127 386 D HN 0.810 nan 8.370 nan 0.000 0.471 387 H N 0.399 119.414 119.070 -0.092 0.000 2.518 387 H HA -0.103 4.453 4.556 -0.000 0.000 0.289 387 H C 0.240 175.588 175.328 0.033 0.000 1.051 387 H CA 1.259 57.334 56.048 0.044 0.000 1.280 387 H CB 0.099 29.907 29.762 0.075 0.000 1.380 387 H HN 0.319 nan 8.280 nan 0.000 0.566 388 D N -0.847 119.124 120.400 -0.715 0.000 2.363 388 D HA 0.145 4.785 4.640 -0.000 0.000 0.214 388 D C 1.571 177.041 176.300 -1.384 0.000 1.093 388 D CA 0.339 53.928 54.000 -0.685 0.000 0.837 388 D CB -0.098 40.366 40.800 -0.559 0.000 0.948 388 D HN 0.528 nan 8.370 nan 0.000 0.507 389 G N 0.249 107.877 108.800 -1.954 0.000 2.176 389 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.253 389 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.253 389 G C 0.113 174.344 174.900 -1.115 0.000 0.979 389 G CA -0.132 43.553 45.100 -2.358 0.000 0.641 389 G HN 0.287 nan 8.290 nan 0.000 0.530 390 K N 1.321 121.232 120.400 -0.815 0.000 2.276 390 K HA 0.489 4.809 4.320 -0.000 0.000 0.283 390 K C 0.995 177.213 176.600 -0.637 0.000 1.044 390 K CA 0.186 56.122 56.287 -0.586 0.000 0.944 390 K CB 0.994 33.244 32.500 -0.417 0.000 1.012 390 K HN 0.420 nan 8.250 nan 0.000 0.472 391 G N 2.667 110.976 108.800 -0.818 0.000 2.365 391 G HA2 0.098 4.058 3.960 -0.000 0.000 0.249 391 G HA3 0.098 4.058 3.960 -0.000 0.000 0.249 391 G C 0.773 175.349 174.900 -0.539 0.000 1.288 391 G CA -0.253 44.066 45.100 -1.301 0.000 0.887 391 G HN 0.567 nan 8.290 nan 0.000 0.524 392 M N 1.590 120.988 119.600 -0.336 0.000 2.398 392 M HA 0.232 4.712 4.480 -0.000 0.000 0.261 392 M C 0.215 176.637 176.300 0.204 0.000 1.125 392 M CA 0.961 56.219 55.300 -0.070 0.000 1.183 392 M CB 0.207 32.731 32.600 -0.127 0.000 1.322 392 M HN 0.750 nan 8.290 nan 0.000 0.467 393 Y N -3.453 116.993 120.300 0.244 0.000 2.713 393 Y HA 0.665 5.215 4.550 -0.000 0.000 0.335 393 Y C -1.205 174.834 175.900 0.231 0.000 1.222 393 Y CA -2.022 56.201 58.100 0.205 0.000 1.061 393 Y CB 0.874 39.382 38.460 0.081 0.000 1.314 393 Y HN -0.152 nan 8.280 nan 0.000 0.453 394 S N -0.027 115.878 115.700 0.341 0.000 2.571 394 S HA 0.392 4.862 4.470 -0.000 0.000 0.284 394 S C 0.389 175.108 174.600 0.199 0.000 1.128 394 S CA 0.006 58.337 58.200 0.218 0.000 0.970 394 S CB 1.241 64.425 63.200 -0.026 0.000 1.039 394 S HN 1.304 nan 8.310 nan 0.000 0.485 395 T N 1.447 116.119 114.554 0.198 0.000 3.055 395 T HA 0.241 4.591 4.350 -0.000 0.000 0.265 395 T C 1.623 176.332 174.700 0.015 0.000 1.111 395 T CA 1.135 63.283 62.100 0.080 0.000 1.118 395 T CB -0.612 68.292 68.868 0.059 0.000 0.909 395 T HN 1.898 nan 8.240 nan 0.000 0.501 396 G N 1.189 109.994 108.800 0.008 0.000 2.184 396 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.264 396 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.264 396 G C 0.680 175.544 174.900 -0.060 0.000 0.975 396 G CA 0.445 45.527 45.100 -0.031 0.000 0.642 396 G HN 0.575 nan 8.290 nan 0.000 0.536 397 L N 0.637 121.798 121.223 -0.103 0.000 2.552 397 L HA 0.410 4.750 4.340 -0.000 0.000 0.227 397 L C 1.920 178.697 176.870 -0.156 0.000 1.146 397 L CA 0.793 55.474 54.840 -0.265 0.000 0.858 397 L CB -0.501 41.162 42.059 -0.659 0.000 0.969 397 L HN 1.114 nan 8.230 nan 0.000 0.451 398 G N -0.419 108.375 108.800 -0.009 0.000 2.741 398 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.222 398 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.222 398 G C -0.366 174.603 174.900 0.115 0.000 1.364 398 G CA -0.105 45.037 45.100 0.069 0.000 0.866 398 G HN 0.462 nan 8.290 nan 0.000 0.555 399 H N 0.458 119.523 119.070 -0.009 0.000 2.897 399 H HA 0.528 5.083 4.556 -0.000 0.000 0.347 399 H C 0.844 176.096 175.328 -0.127 0.000 1.068 399 H CA 1.823 57.780 56.048 -0.152 0.000 1.426 399 H CB 0.633 30.284 29.762 -0.184 0.000 1.410 399 H HN 1.335 nan 8.280 nan 0.000 0.597 400 G N 2.645 110.802 108.800 -1.072 0.000 2.727 400 G HA2 0.245 4.205 3.960 -0.000 0.000 0.289 400 G HA3 0.245 4.205 3.960 -0.000 0.000 0.289 400 G C -0.693 173.675 174.900 -0.886 0.000 1.418 400 G CA -0.586 43.991 45.100 -0.870 0.000 0.818 400 G HN 0.613 nan 8.290 nan 0.000 0.486 401 D N -0.637 119.519 120.400 -0.405 0.000 2.417 401 D HA 0.479 5.119 4.640 -0.000 0.000 0.207 401 D C 0.864 177.111 176.300 -0.088 0.000 1.075 401 D CA 0.809 54.778 54.000 -0.052 0.000 0.851 401 D CB 1.192 42.089 40.800 0.162 0.000 0.976 401 D HN 0.620 nan 8.370 nan 0.000 0.505 402 A N 0.214 122.886 122.820 -0.247 0.000 2.556 402 A HA 0.770 5.090 4.320 -0.000 0.000 0.294 402 A C -1.909 175.440 177.584 -0.392 0.000 1.091 402 A CA -0.558 51.326 52.037 -0.254 0.000 0.704 402 A CB 1.669 20.590 19.000 -0.132 0.000 1.300 402 A HN 0.039 nan 8.150 nan 0.000 0.406 403 L N 1.418 122.345 121.223 -0.494 0.000 2.611 403 L HA 0.582 4.922 4.340 -0.000 0.000 0.260 403 L C -1.862 174.590 176.870 -0.696 0.000 0.924 403 L CA -0.005 54.531 54.840 -0.506 0.000 0.901 403 L CB 1.982 43.742 42.059 -0.498 0.000 1.369 403 L HN 0.815 nan 8.230 nan 0.000 0.415 404 H N 3.170 122.121 119.070 -0.198 0.000 2.924 404 H HA 0.501 5.057 4.556 -0.000 0.000 0.333 404 H C -1.136 174.016 175.328 -0.293 0.000 0.979 404 H CA -0.590 55.341 56.048 -0.195 0.000 1.326 404 H CB 2.030 31.722 29.762 -0.117 0.000 1.600 404 H HN 0.494 nan 8.280 nan 0.000 0.520 405 T N 2.627 117.055 114.554 -0.209 0.000 2.791 405 T HA 0.621 4.971 4.350 -0.000 0.000 0.288 405 T C 0.533 175.134 174.700 -0.164 0.000 0.999 405 T CA -0.612 61.392 62.100 -0.159 0.000 0.952 405 T CB 1.731 70.561 68.868 -0.064 0.000 0.938 405 T HN 0.856 nan 8.240 nan 0.000 0.444 406 G N 1.410 110.123 108.800 -0.146 0.000 2.489 406 G HA2 0.421 4.381 3.960 -0.000 0.000 0.305 406 G HA3 0.421 4.381 3.960 -0.000 0.000 0.305 406 G C -1.812 173.107 174.900 0.032 0.000 1.311 406 G CA -0.701 44.379 45.100 -0.033 0.000 0.813 406 G HN 0.445 nan 8.290 nan 0.000 0.480 407 D N 0.875 121.352 120.400 0.129 0.000 2.483 407 D HA 0.311 4.950 4.640 -0.000 0.000 0.220 407 D C 1.589 178.031 176.300 0.238 0.000 1.173 407 D CA -0.264 53.842 54.000 0.176 0.000 0.964 407 D CB 0.293 41.238 40.800 0.241 0.000 1.046 407 D HN 0.266 nan 8.370 nan 0.000 0.517 408 L N 1.192 122.512 121.223 0.161 0.000 2.162 408 L HA 0.111 4.451 4.340 -0.000 0.000 0.205 408 L C 0.898 177.924 176.870 0.260 0.000 1.086 408 L CA 0.516 55.501 54.840 0.240 0.000 0.778 408 L CB 0.072 42.250 42.059 0.198 0.000 0.928 408 L HN 0.211 nan 8.230 nan 0.000 0.446 409 D N 0.709 121.248 120.400 0.231 0.000 2.464 409 D HA 0.165 4.805 4.640 -0.000 0.000 0.243 409 D C -1.813 174.492 176.300 0.008 0.000 1.104 409 D CA -2.320 51.758 54.000 0.131 0.000 0.883 409 D CB 1.512 42.459 40.800 0.246 0.000 1.050 409 D HN -0.088 nan 8.370 nan 0.000 0.524 410 P HA 0.044 nan 4.420 nan 0.000 0.230 410 P C 1.136 178.390 177.300 -0.076 0.000 1.158 410 P CA 0.327 63.329 63.100 -0.164 0.000 0.769 410 P CB 0.364 31.769 31.700 -0.493 0.000 0.807 411 G N -0.568 108.194 108.800 -0.064 0.000 2.880 411 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.209 411 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.209 411 G C 0.805 175.713 174.900 0.014 0.000 1.157 411 G CA -0.186 44.901 45.100 -0.022 0.000 0.779 411 G HN 0.206 nan 8.290 nan 0.000 0.539 412 R N 0.854 121.375 120.500 0.034 0.000 2.360 412 R HA 0.384 4.724 4.340 -0.000 0.000 0.318 412 R C -2.828 173.504 176.300 0.053 0.000 0.950 412 R CA -1.869 54.264 56.100 0.054 0.000 0.837 412 R CB 1.703 32.056 30.300 0.090 0.000 1.165 412 R HN -0.076 nan 8.270 nan 0.000 0.458 413 P HA 0.141 nan 4.420 nan 0.000 0.265 413 P C -0.289 177.040 177.300 0.050 0.000 1.193 413 P CA 0.619 63.747 63.100 0.047 0.000 0.765 413 P CB 0.876 32.600 31.700 0.040 0.000 0.823 414 G N 1.159 109.993 108.800 0.056 0.000 2.592 414 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.684 414 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.684 414 G C -1.220 173.712 174.900 0.054 0.000 1.291 414 G CA -0.969 44.163 45.100 0.052 0.000 0.891 414 G HN 0.501 nan 8.290 nan 0.000 0.544 415 L N -0.085 121.163 121.223 0.042 0.000 2.431 415 L HA 0.805 5.145 4.340 -0.000 0.000 0.260 415 L C 0.440 177.290 176.870 -0.034 0.000 1.098 415 L CA -0.760 54.093 54.840 0.023 0.000 0.800 415 L CB 1.463 43.540 42.059 0.030 0.000 1.210 415 L HN 0.686 nan 8.230 nan 0.000 0.465 416 E N -0.164 119.973 120.200 -0.104 0.000 2.343 416 E HA 0.584 4.934 4.350 -0.000 0.000 0.270 416 E C -1.469 174.930 176.600 -0.336 0.000 0.895 416 E CA -0.552 55.681 56.400 -0.279 0.000 0.767 416 E CB 2.695 32.136 29.700 -0.432 0.000 1.248 416 E HN 0.131 nan 8.360 nan 0.000 0.440 417 V N 2.319 121.979 119.914 -0.424 0.000 2.444 417 V HA 0.426 4.546 4.120 -0.000 0.000 0.294 417 V C -1.225 174.628 176.094 -0.402 0.000 1.022 417 V CA -0.818 61.288 62.300 -0.323 0.000 0.850 417 V CB 0.993 32.698 31.823 -0.196 0.000 0.992 417 V HN 0.584 nan 8.190 nan 0.000 0.426 418 F N 4.637 124.329 119.950 -0.429 0.000 2.427 418 F HA 0.699 5.226 4.527 -0.000 0.000 0.346 418 F C -0.134 175.533 175.800 -0.221 0.000 1.120 418 F CA -0.060 57.745 58.000 -0.326 0.000 1.033 418 F CB 1.353 40.249 39.000 -0.172 0.000 1.126 418 F HN 0.572 nan 8.300 nan 0.000 0.462 419 Q N 5.169 124.385 119.800 -0.973 0.000 2.416 419 Q HA 0.686 5.026 4.340 -0.000 0.000 0.281 419 Q C -1.795 173.556 176.000 -1.082 0.000 1.067 419 Q CA -0.992 54.289 55.803 -0.869 0.000 0.809 419 Q CB 2.701 31.074 28.738 -0.609 0.000 1.418 419 Q HN 0.677 nan 8.270 nan 0.000 0.411 420 V N -0.845 118.517 119.914 -0.921 0.000 2.994 420 V HA 0.712 4.832 4.120 -0.000 0.000 0.318 420 V C -0.991 174.583 176.094 -0.868 0.000 1.085 420 V CA -0.546 61.312 62.300 -0.736 0.000 0.998 420 V CB 2.010 33.591 31.823 -0.404 0.000 1.063 420 V HN 0.817 nan 8.190 nan 0.000 0.447 421 H N 0.979 119.936 119.070 -0.188 0.000 2.717 421 H HA 0.464 5.020 4.556 -0.000 0.000 0.366 421 H C 0.048 175.325 175.328 -0.086 0.000 1.132 421 H CA -0.220 55.738 56.048 -0.150 0.000 1.180 421 H CB 2.841 32.543 29.762 -0.099 0.000 1.678 421 H HN 0.966 nan 8.280 nan 0.000 0.537 422 E N 0.967 121.204 120.200 0.060 0.000 2.276 422 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 422 E C -0.179 176.490 176.600 0.115 0.000 0.983 422 E CA -0.019 56.444 56.400 0.104 0.000 0.861 422 E CB 0.506 30.342 29.700 0.226 0.000 0.817 422 E HN 0.408 nan 8.360 nan 0.000 0.485 423 D N 1.337 121.804 120.400 0.111 0.000 2.346 423 D HA -0.053 4.587 4.640 -0.000 0.000 0.260 423 D C 0.861 177.184 176.300 0.039 0.000 1.252 423 D CA 0.079 54.126 54.000 0.079 0.000 0.895 423 D CB 0.993 41.833 40.800 0.067 0.000 1.097 423 D HN 0.188 nan 8.370 nan 0.000 0.489 424 K N 2.532 122.951 120.400 0.032 0.000 2.360 424 K HA -0.153 4.167 4.320 -0.000 0.000 0.201 424 K C 0.475 177.080 176.600 0.007 0.000 1.046 424 K CA 1.072 57.361 56.287 0.002 0.000 0.940 424 K CB -0.121 32.390 32.500 0.018 0.000 0.748 424 K HN 0.282 nan 8.250 nan 0.000 0.465 425 N N 0.630 119.349 118.700 0.032 0.000 2.236 425 N HA 0.137 4.877 4.740 -0.000 0.000 0.196 425 N C -0.328 175.207 175.510 0.041 0.000 1.114 425 N CA -0.197 52.886 53.050 0.055 0.000 0.859 425 N CB 0.760 39.273 38.487 0.043 0.000 0.982 425 N HN 0.259 nan 8.380 nan 0.000 0.493 426 A N 1.124 123.948 122.820 0.007 0.000 2.445 426 A HA 0.031 4.351 4.320 -0.000 0.000 0.242 426 A C 1.416 178.987 177.584 -0.022 0.000 1.075 426 A CA -0.110 51.903 52.037 -0.039 0.000 0.777 426 A CB 0.412 19.366 19.000 -0.077 0.000 1.013 426 A HN 0.237 nan 8.150 nan 0.000 0.493 427 K N 0.182 120.503 120.400 -0.131 0.000 2.103 427 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 427 K C -0.733 175.698 176.600 -0.280 0.000 1.048 427 K CA 1.439 57.561 56.287 -0.275 0.000 0.930 427 K CB -0.201 31.960 32.500 -0.566 0.000 0.716 427 K HN 0.679 nan 8.250 nan 0.000 0.444 428 Y N -1.681 118.633 120.300 0.023 0.000 2.425 428 Y HA 0.360 4.910 4.550 -0.000 0.000 0.344 428 Y C 0.907 176.805 175.900 -0.003 0.000 0.969 428 Y CA -1.003 57.114 58.100 0.028 0.000 1.052 428 Y CB 2.058 40.516 38.460 -0.002 0.000 1.215 428 Y HN -0.041 nan 8.280 nan 0.000 0.451 429 G N 2.091 110.999 108.800 0.180 0.000 2.603 429 G HA2 0.202 4.162 3.960 -0.000 0.000 0.214 429 G HA3 0.202 4.162 3.960 -0.000 0.000 0.214 429 G C -0.088 174.905 174.900 0.154 0.000 1.140 429 G CA 0.080 45.257 45.100 0.128 0.000 0.800 429 G HN 0.465 nan 8.290 nan 0.000 0.533 430 L N -0.369 120.947 121.223 0.154 0.000 2.431 430 L HA 0.795 5.135 4.340 -0.000 0.000 0.266 430 L C -0.789 176.033 176.870 -0.079 0.000 0.978 430 L CA -1.046 53.782 54.840 -0.021 0.000 0.822 430 L CB 2.409 44.509 42.059 0.069 0.000 1.310 430 L HN -0.049 nan 8.230 nan 0.000 0.409 431 S N 1.442 117.016 115.700 -0.210 0.000 2.536 431 S HA 0.785 5.255 4.470 -0.000 0.000 0.287 431 S C -1.165 173.235 174.600 -0.334 0.000 1.101 431 S CA -0.571 57.466 58.200 -0.271 0.000 0.950 431 S CB 2.088 65.275 63.200 -0.022 0.000 1.056 431 S HN 0.630 nan 8.310 nan 0.000 0.481 432 F N 3.272 122.800 119.950 -0.703 0.000 2.499 432 F HA 0.654 5.181 4.527 -0.000 0.000 0.333 432 F C -0.222 175.301 175.800 -0.462 0.000 1.138 432 F CA -0.600 57.001 58.000 -0.665 0.000 0.945 432 F CB 1.273 39.392 39.000 -1.468 0.000 1.181 432 F HN 0.962 nan 8.300 nan 0.000 0.435 433 R N 3.755 124.014 120.500 -0.402 0.000 2.836 433 R HA 0.385 4.725 4.340 -0.000 0.000 0.269 433 R C -1.462 174.702 176.300 -0.227 0.000 1.010 433 R CA -1.005 54.954 56.100 -0.234 0.000 0.930 433 R CB 1.469 31.645 30.300 -0.206 0.000 1.218 433 R HN 0.470 nan 8.270 nan 0.000 0.473 434 D N 1.114 121.424 120.400 -0.150 0.000 2.382 434 D HA 0.054 4.694 4.640 -0.000 0.000 0.259 434 D C 0.878 177.095 176.300 -0.138 0.000 1.224 434 D CA 0.439 54.368 54.000 -0.120 0.000 0.894 434 D CB 1.638 42.379 40.800 -0.099 0.000 1.127 434 D HN 0.629 nan 8.370 nan 0.000 0.487 435 A N 4.193 126.971 122.820 -0.070 0.000 1.933 435 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 435 A C 2.025 179.692 177.584 0.138 0.000 1.175 435 A CA 1.844 53.892 52.037 0.020 0.000 0.628 435 A CB -0.257 18.749 19.000 0.010 0.000 0.814 435 A HN 0.653 nan 8.150 nan 0.000 0.444 436 A N -0.887 121.979 122.820 0.078 0.000 1.903 436 A HA 0.062 4.382 4.320 -0.000 0.000 0.213 436 A C 2.328 179.991 177.584 0.132 0.000 1.185 436 A CA 2.070 54.190 52.037 0.137 0.000 0.628 436 A CB -0.792 18.255 19.000 0.078 0.000 0.830 436 A HN 0.720 nan 8.150 nan 0.000 0.446 437 T N -5.302 109.202 114.554 -0.082 0.000 3.037 437 T HA 0.401 4.751 4.350 -0.000 0.000 0.251 437 T C 1.521 175.818 174.700 -0.671 0.000 1.079 437 T CA 1.182 63.169 62.100 -0.189 0.000 1.067 437 T CB 0.287 69.086 68.868 -0.116 0.000 0.948 437 T HN 1.649 nan 8.240 nan 0.000 0.496 438 G N 1.707 109.857 108.800 -1.083 0.000 2.205 438 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.261 438 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.261 438 G C 0.058 174.649 174.900 -0.516 0.000 0.980 438 G CA 0.366 44.649 45.100 -1.361 0.000 0.632 438 G HN 0.860 nan 8.290 nan 0.000 0.533 439 K N 0.923 121.131 120.400 -0.321 0.000 2.472 439 K HA 0.348 4.668 4.320 -0.000 0.000 0.280 439 K C 0.691 177.220 176.600 -0.119 0.000 1.028 439 K CA -0.388 55.805 56.287 -0.157 0.000 1.045 439 K CB -0.002 32.442 32.500 -0.092 0.000 0.902 439 K HN 0.300 nan 8.250 nan 0.000 0.478 440 I N 7.247 127.774 120.570 -0.072 0.000 2.436 440 I HA -0.081 4.089 4.170 -0.000 0.000 0.289 440 I C 1.226 177.330 176.117 -0.023 0.000 1.083 440 I CA -0.138 61.120 61.300 -0.070 0.000 1.372 440 I CB 0.575 38.550 38.000 -0.042 0.000 1.408 440 I HN 0.699 nan 8.210 nan 0.000 0.516 441 L N 7.108 128.331 121.223 -0.000 0.000 2.095 441 L HA 0.042 4.382 4.340 -0.000 0.000 0.204 441 L C 0.428 177.421 176.870 0.205 0.000 1.080 441 L CA 0.890 55.807 54.840 0.127 0.000 0.759 441 L CB -0.186 42.034 42.059 0.268 0.000 0.914 441 L HN 0.669 nan 8.230 nan 0.000 0.439 442 W N -1.547 119.729 121.300 -0.040 0.000 3.153 442 W HA 0.634 5.293 4.660 -0.000 0.000 0.316 442 W C -0.784 175.531 176.519 -0.339 0.000 1.255 442 W CA -0.934 56.306 57.345 -0.175 0.000 1.192 442 W CB 0.531 29.885 29.460 -0.178 0.000 1.400 442 W HN -0.147 nan 8.180 nan 0.000 0.568 443 G N 0.100 108.692 108.800 -0.347 0.000 2.684 443 G HA2 0.665 4.625 3.960 -0.000 0.000 0.290 443 G HA3 0.665 4.625 3.960 -0.000 0.000 0.290 443 G C -2.429 172.370 174.900 -0.169 0.000 1.425 443 G CA -0.825 43.801 45.100 -0.790 0.000 0.822 443 G HN 0.574 nan 8.290 nan 0.000 0.482 444 V N 0.742 120.715 119.914 0.100 0.000 2.577 444 V HA 0.339 4.459 4.120 -0.000 0.000 0.303 444 V C -0.748 175.604 176.094 0.431 0.000 1.042 444 V CA -0.908 61.582 62.300 0.318 0.000 0.872 444 V CB 1.417 33.376 31.823 0.227 0.000 0.998 444 V HN 0.806 nan 8.190 nan 0.000 0.423 445 Y N 3.952 124.451 120.300 0.332 0.000 2.597 445 Y HA 0.376 4.926 4.550 -0.000 0.000 0.336 445 Y C 0.903 176.905 175.900 0.171 0.000 1.216 445 Y CA 0.969 59.193 58.100 0.206 0.000 1.463 445 Y CB 1.318 39.852 38.460 0.124 0.000 1.303 445 Y HN 0.732 nan 8.280 nan 0.000 0.576 446 A N 3.330 125.779 122.820 -0.618 0.000 2.066 446 A HA 0.366 4.686 4.320 -0.000 0.000 0.198 446 A C 1.613 178.772 177.584 -0.708 0.000 1.405 446 A CA 0.437 52.206 52.037 -0.448 0.000 0.973 446 A CB -0.730 18.174 19.000 -0.159 0.000 1.026 446 A HN 1.725 nan 8.150 nan 0.000 0.474 447 G N 0.354 108.464 108.800 -1.151 0.000 2.168 447 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.257 447 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.257 447 G C 0.087 174.886 174.900 -0.168 0.000 0.997 447 G CA 1.325 46.108 45.100 -0.528 0.000 0.708 447 G HN 1.254 nan 8.290 nan 0.000 0.520 448 K N -1.320 118.987 120.400 -0.155 0.000 2.578 448 K HA 0.532 4.852 4.320 -0.000 0.000 0.287 448 K C -1.500 175.085 176.600 -0.025 0.000 1.010 448 K CA -0.951 55.306 56.287 -0.049 0.000 0.889 448 K CB 0.880 33.368 32.500 -0.021 0.000 1.514 448 K HN -0.074 nan 8.250 nan 0.000 0.424 449 D N 1.484 121.892 120.400 0.014 0.000 2.412 449 D HA 0.096 4.736 4.640 -0.000 0.000 0.257 449 D C -0.843 175.471 176.300 0.025 0.000 1.217 449 D CA -0.002 54.019 54.000 0.035 0.000 0.897 449 D CB 0.756 41.592 40.800 0.059 0.000 1.132 449 D HN 0.358 nan 8.370 nan 0.000 0.493 450 V N 5.025 124.947 119.914 0.013 0.000 2.294 450 V HA 0.366 4.486 4.120 -0.000 0.000 0.272 450 V C 1.505 177.590 176.094 -0.015 0.000 1.027 450 V CA -0.260 62.044 62.300 0.006 0.000 0.823 450 V CB 1.138 32.962 31.823 0.003 0.000 1.030 450 V HN 0.740 nan 8.190 nan 0.000 0.457 451 G N 4.901 113.706 108.800 0.009 0.000 2.712 451 G HA2 0.066 4.026 3.960 -0.000 0.000 0.212 451 G HA3 0.066 4.026 3.960 -0.000 0.000 0.212 451 G C 0.697 175.589 174.900 -0.012 0.000 1.142 451 G CA 0.033 45.139 45.100 0.009 0.000 0.789 451 G HN 0.450 nan 8.290 nan 0.000 0.535 452 R N -0.813 119.682 120.500 -0.009 0.000 2.698 452 R HA 0.644 4.984 4.340 -0.000 0.000 0.275 452 R C -0.859 175.435 176.300 -0.011 0.000 1.001 452 R CA -0.439 55.657 56.100 -0.005 0.000 0.896 452 R CB 1.747 32.065 30.300 0.030 0.000 1.218 452 R HN 0.127 nan 8.270 nan 0.000 0.462 453 G N 1.490 110.276 108.800 -0.023 0.000 2.759 453 G HA2 0.588 4.548 3.960 -0.000 0.000 0.297 453 G HA3 0.588 4.548 3.960 -0.000 0.000 0.297 453 G C -1.180 173.693 174.900 -0.046 0.000 1.434 453 G CA -0.412 44.700 45.100 0.021 0.000 0.980 453 G HN 0.168 nan 8.290 nan 0.000 0.531 454 M N 0.621 119.929 119.600 -0.486 0.000 2.591 454 M HA 0.798 5.278 4.480 -0.000 0.000 0.306 454 M C -0.558 175.067 176.300 -1.124 0.000 1.190 454 M CA -0.912 53.736 55.300 -1.086 0.000 0.889 454 M CB 2.157 33.620 32.600 -1.895 0.000 1.728 454 M HN 0.877 nan 8.290 nan 0.000 0.458 455 A N 2.016 124.168 122.820 -1.113 0.000 2.359 455 A HA 0.950 5.270 4.320 -0.000 0.000 0.303 455 A C -1.271 176.186 177.584 -0.211 0.000 1.066 455 A CA -0.369 51.350 52.037 -0.531 0.000 0.730 455 A CB 1.238 20.039 19.000 -0.331 0.000 1.211 455 A HN 1.025 nan 8.150 nan 0.000 0.439 456 A N 1.860 124.695 122.820 0.024 0.000 2.582 456 A HA 0.587 4.907 4.320 -0.000 0.000 0.297 456 A C -1.527 176.205 177.584 0.247 0.000 1.059 456 A CA -0.556 51.571 52.037 0.150 0.000 0.705 456 A CB 1.017 20.104 19.000 0.144 0.000 1.279 456 A HN 0.760 nan 8.150 nan 0.000 0.404 457 D N 2.084 122.647 120.400 0.272 0.000 2.348 457 D HA 0.278 4.918 4.640 -0.000 0.000 0.259 457 D C 1.000 177.451 176.300 0.253 0.000 1.296 457 D CA 0.380 54.558 54.000 0.298 0.000 0.931 457 D CB 0.102 41.118 40.800 0.361 0.000 1.067 457 D HN 0.557 nan 8.370 nan 0.000 0.503 458 I N -0.177 120.526 120.570 0.221 0.000 4.227 458 I HA 0.386 4.556 4.170 -0.000 0.000 0.334 458 I C -0.065 176.230 176.117 0.296 0.000 1.341 458 I CA -0.309 61.138 61.300 0.245 0.000 1.123 458 I CB 0.721 38.769 38.000 0.079 0.000 1.097 458 I HN 0.014 nan 8.210 nan 0.000 0.399 459 D N 3.040 123.536 120.400 0.161 0.000 2.476 459 D HA 0.305 4.945 4.640 -0.000 0.000 0.251 459 D C -2.132 174.117 176.300 -0.085 0.000 1.291 459 D CA -1.851 52.142 54.000 -0.011 0.000 0.939 459 D CB 2.549 43.499 40.800 0.251 0.000 1.221 459 D HN -0.058 nan 8.370 nan 0.000 0.567 460 P HA 0.014 nan 4.420 nan 0.000 0.237 460 P C 0.889 178.116 177.300 -0.121 0.000 1.178 460 P CA 0.240 63.249 63.100 -0.151 0.000 0.766 460 P CB 0.515 32.106 31.700 -0.182 0.000 0.876 461 R N -1.308 119.085 120.500 -0.177 0.000 2.236 461 R HA 0.019 4.359 4.340 -0.000 0.000 0.208 461 R C 0.228 176.295 176.300 -0.389 0.000 1.036 461 R CA 0.724 56.678 56.100 -0.243 0.000 1.001 461 R CB -0.332 29.805 30.300 -0.273 0.000 0.896 461 R HN 0.297 nan 8.270 nan 0.000 0.464 462 Y N 0.725 121.008 120.300 -0.029 0.000 2.328 462 Y HA 0.327 4.877 4.550 -0.000 0.000 0.333 462 Y C -2.207 173.686 175.900 -0.011 0.000 0.958 462 Y CA -3.420 54.667 58.100 -0.020 0.000 1.167 462 Y CB 1.214 39.664 38.460 -0.017 0.000 1.151 462 Y HN -0.173 nan 8.280 nan 0.000 0.470 463 P HA 0.195 nan 4.420 nan 0.000 0.266 463 P C 0.468 177.751 177.300 -0.028 0.000 1.195 463 P CA 0.879 63.980 63.100 0.003 0.000 0.768 463 P CB 0.733 32.403 31.700 -0.051 0.000 0.838 464 G N 2.055 110.773 108.800 -0.137 0.000 2.660 464 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.247 464 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.247 464 G C -1.184 173.872 174.900 0.260 0.000 1.328 464 G CA -0.874 44.129 45.100 -0.162 0.000 0.884 464 G HN 0.531 nan 8.290 nan 0.000 0.531 465 Q N 0.512 120.508 119.800 0.327 0.000 2.286 465 Q HA 0.461 4.801 4.340 -0.000 0.000 0.257 465 Q C -0.032 176.090 176.000 0.204 0.000 0.941 465 Q CA -0.371 55.625 55.803 0.322 0.000 0.912 465 Q CB 1.091 30.021 28.738 0.320 0.000 1.192 465 Q HN 0.509 nan 8.270 nan 0.000 0.410 466 E N 0.877 121.184 120.200 0.178 0.000 2.371 466 E HA 0.279 4.629 4.350 -0.000 0.000 0.257 466 E C -0.556 176.105 176.600 0.101 0.000 1.134 466 E CA -0.304 56.167 56.400 0.117 0.000 0.919 466 E CB 0.970 30.728 29.700 0.097 0.000 1.025 466 E HN 0.412 nan 8.360 nan 0.000 0.438 467 V N -1.292 118.646 119.914 0.039 0.000 2.962 467 V HA 0.895 5.015 4.120 -0.000 0.000 0.313 467 V C -1.580 174.587 176.094 0.121 0.000 1.099 467 V CA -1.071 61.072 62.300 -0.261 0.000 0.971 467 V CB 1.293 32.473 31.823 -1.072 0.000 1.028 467 V HN 0.819 nan 8.190 nan 0.000 0.430 468 W N 2.186 123.413 121.300 -0.122 0.000 3.217 468 W HA 1.009 5.669 4.660 0.000 0.000 0.323 468 W C -0.841 175.837 176.519 0.265 0.000 1.216 468 W CA -0.513 56.883 57.345 0.085 0.000 1.194 468 W CB 1.326 30.739 29.460 -0.078 0.000 1.397 468 W HN 1.248 nan 8.180 nan 0.000 0.537 469 A N 2.774 125.897 122.820 0.506 0.000 2.599 469 A HA 0.548 4.868 4.320 -0.000 0.000 0.294 469 A C -0.158 177.623 177.584 0.328 0.000 1.055 469 A CA -0.481 51.772 52.037 0.360 0.000 0.683 469 A CB 1.133 20.335 19.000 0.337 0.000 1.278 469 A HN 1.438 nan 8.150 nan 0.000 0.412 470 N N -0.389 118.444 118.700 0.222 0.000 2.721 470 N HA -0.087 4.653 4.740 -0.000 0.000 0.249 470 N C 1.091 176.705 175.510 0.173 0.000 1.072 470 N CA 3.019 56.174 53.050 0.175 0.000 0.710 470 N CB -0.982 37.602 38.487 0.162 0.000 0.993 470 N HN 2.632 nan 8.380 nan 0.000 0.547 471 G N -2.974 105.927 108.800 0.167 0.000 2.176 471 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.253 471 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.253 471 G C -0.025 174.916 174.900 0.068 0.000 0.979 471 G CA 0.455 45.621 45.100 0.111 0.000 0.641 471 G HN 0.779 nan 8.290 nan 0.000 0.530 472 S N -0.682 115.072 115.700 0.090 0.000 2.536 472 S HA 0.745 5.215 4.470 -0.000 0.000 0.287 472 S C -0.719 173.772 174.600 -0.181 0.000 1.101 472 S CA -0.615 57.513 58.200 -0.121 0.000 0.950 472 S CB 2.320 65.379 63.200 -0.234 0.000 1.056 472 S HN 0.969 nan 8.310 nan 0.000 0.481 473 L N 3.176 124.170 121.223 -0.383 0.000 2.317 473 L HA 0.698 5.038 4.340 -0.000 0.000 0.281 473 L C -1.868 174.666 176.870 -0.560 0.000 1.024 473 L CA -0.148 54.515 54.840 -0.295 0.000 0.810 473 L CB 0.510 42.381 42.059 -0.313 0.000 1.240 473 L HN 0.672 nan 8.230 nan 0.000 0.427 474 Y N 1.781 122.020 120.300 -0.101 0.000 2.545 474 Y HA 0.567 5.117 4.550 -0.000 0.000 0.348 474 Y C 0.481 176.195 175.900 -0.309 0.000 1.002 474 Y CA -0.630 57.317 58.100 -0.255 0.000 1.039 474 Y CB 1.971 40.260 38.460 -0.286 0.000 1.271 474 Y HN 0.727 nan 8.280 nan 0.000 0.467 475 S N 0.614 116.133 115.700 -0.302 0.000 2.608 475 S HA 0.361 4.831 4.470 -0.000 0.000 0.261 475 S C 1.287 175.746 174.600 -0.235 0.000 1.314 475 S CA -0.160 57.872 58.200 -0.279 0.000 0.992 475 S CB 1.097 64.119 63.200 -0.297 0.000 0.935 475 S HN 0.925 nan 8.310 nan 0.000 0.564 476 A N 0.762 123.495 122.820 -0.146 0.000 2.125 476 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 476 A C 1.876 179.217 177.584 -0.405 0.000 1.156 476 A CA 0.977 52.880 52.037 -0.225 0.000 0.671 476 A CB -0.504 18.502 19.000 0.010 0.000 0.794 476 A HN 0.703 nan 8.150 nan 0.000 0.459 477 K N -1.382 118.795 120.400 -0.371 0.000 2.404 477 K HA 0.174 4.494 4.320 -0.000 0.000 0.194 477 K C 1.113 177.107 176.600 -1.010 0.000 1.023 477 K CA 0.732 56.755 56.287 -0.439 0.000 1.094 477 K CB -0.089 32.274 32.500 -0.227 0.000 0.841 477 K HN 0.792 nan 8.250 nan 0.000 0.523 478 G N 1.073 108.951 108.800 -1.536 0.000 2.141 478 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.231 478 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.231 478 G C -0.006 174.370 174.900 -0.872 0.000 0.984 478 G CA 0.021 43.750 45.100 -2.285 0.000 0.660 478 G HN 0.098 nan 8.290 nan 0.000 0.525 479 V N 1.390 121.003 119.914 -0.503 0.000 2.432 479 V HA 0.336 4.456 4.120 -0.000 0.000 0.271 479 V C 1.070 177.041 176.094 -0.205 0.000 1.046 479 V CA -0.314 61.838 62.300 -0.247 0.000 0.945 479 V CB 1.540 33.262 31.823 -0.168 0.000 0.992 479 V HN 0.421 nan 8.190 nan 0.000 0.471 480 K N 5.438 125.749 120.400 -0.149 0.000 2.416 480 K HA 0.268 4.588 4.320 -0.000 0.000 0.283 480 K C -0.619 175.813 176.600 -0.280 0.000 1.037 480 K CA -0.137 55.943 56.287 -0.345 0.000 0.995 480 K CB 0.266 32.604 32.500 -0.270 0.000 0.938 480 K HN 0.600 nan 8.250 nan 0.000 0.475 481 I N 5.319 125.684 120.570 -0.342 0.000 2.312 481 I HA 0.205 4.375 4.170 -0.000 0.000 0.290 481 I C 0.986 177.045 176.117 -0.096 0.000 1.008 481 I CA -0.008 61.153 61.300 -0.232 0.000 1.226 481 I CB 1.004 38.798 38.000 -0.343 0.000 1.371 481 I HN 1.066 nan 8.210 nan 0.000 0.468 482 G N 5.277 114.065 108.800 -0.021 0.000 2.574 482 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.282 482 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.282 482 G C -0.193 174.695 174.900 -0.019 0.000 1.257 482 G CA -0.203 44.902 45.100 0.009 0.000 0.956 482 G HN 0.598 nan 8.290 nan 0.000 0.560 483 S N 0.093 115.797 115.700 0.006 0.000 2.607 483 S HA 0.822 5.292 4.470 -0.000 0.000 0.303 483 S C 0.770 175.386 174.600 0.027 0.000 1.086 483 S CA 0.908 59.108 58.200 -0.001 0.000 0.995 483 S CB 1.185 64.389 63.200 0.006 0.000 1.084 483 S HN 2.666 nan 8.310 nan 0.000 0.507 484 G N 0.296 109.101 108.800 0.009 0.000 2.749 484 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.242 484 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.242 484 G C -0.470 174.419 174.900 -0.017 0.000 1.364 484 G CA -0.203 44.912 45.100 0.025 0.000 0.888 484 G HN 1.772 nan 8.290 nan 0.000 0.566 485 V N -4.306 115.573 119.914 -0.058 0.000 3.181 485 V HA 0.865 4.985 4.120 -0.000 0.000 0.308 485 V C -2.550 173.257 176.094 -0.479 0.000 1.214 485 V CA -1.817 60.257 62.300 -0.377 0.000 1.053 485 V CB 1.544 33.221 31.823 -0.243 0.000 1.069 485 V HN 0.855 nan 8.190 nan 0.000 0.441 486 P HA 0.128 nan 4.420 nan 0.000 0.267 486 P C 0.903 178.095 177.300 -0.181 0.000 1.201 486 P CA 0.600 63.268 63.100 -0.720 0.000 0.775 486 P CB 0.486 31.453 31.700 -1.222 0.000 0.854 487 S N -0.706 115.005 115.700 0.020 0.000 2.603 487 S HA 0.046 4.516 4.470 -0.000 0.000 0.229 487 S C 0.558 175.212 174.600 0.090 0.000 0.972 487 S CA 0.266 58.505 58.200 0.066 0.000 0.935 487 S CB -0.746 62.499 63.200 0.075 0.000 0.769 487 S HN 0.540 nan 8.310 nan 0.000 0.536 488 S N -0.361 115.422 115.700 0.138 0.000 2.569 488 S HA 0.684 5.154 4.470 -0.000 0.000 0.280 488 S C -0.748 174.085 174.600 0.388 0.000 1.111 488 S CA -0.704 57.615 58.200 0.199 0.000 0.887 488 S CB 1.905 65.201 63.200 0.161 0.000 1.095 488 S HN 0.058 nan 8.310 nan 0.000 0.476 489 T N 2.180 116.912 114.554 0.296 0.000 3.542 489 T HA 0.424 4.774 4.350 -0.000 0.000 0.276 489 T C -0.037 174.733 174.700 0.116 0.000 1.412 489 T CA -0.543 61.698 62.100 0.235 0.000 1.664 489 T CB -0.105 68.878 68.868 0.192 0.000 0.863 489 T HN 0.636 nan 8.240 nan 0.000 0.661 490 N N 0.698 119.494 118.700 0.160 0.000 3.379 490 N HA 0.401 5.141 4.740 -0.000 0.000 0.197 490 N C -1.019 174.731 175.510 0.400 0.000 1.350 490 N CA -0.097 53.088 53.050 0.226 0.000 1.140 490 N CB 0.438 39.020 38.487 0.159 0.000 1.164 490 N HN 0.192 nan 8.380 nan 0.000 0.627 491 F N 0.537 120.498 119.950 0.018 0.000 2.507 491 F HA 0.721 5.247 4.527 -0.000 0.000 0.327 491 F C 0.963 176.743 175.800 -0.033 0.000 1.068 491 F CA -1.055 56.936 58.000 -0.016 0.000 0.965 491 F CB 1.595 40.568 39.000 -0.046 0.000 1.192 491 F HN 0.186 nan 8.300 nan 0.000 0.476 492 G N 1.912 110.708 108.800 -0.006 0.000 2.388 492 G HA2 0.654 4.614 3.960 -0.000 0.000 0.330 492 G HA3 0.654 4.614 3.960 -0.000 0.000 0.330 492 G C -1.710 173.067 174.900 -0.206 0.000 1.142 492 G CA -0.574 44.461 45.100 -0.109 0.000 0.908 492 G HN 0.657 nan 8.290 nan 0.000 0.473 493 I N 0.672 121.136 120.570 -0.177 0.000 2.656 493 I HA 0.401 4.571 4.170 -0.000 0.000 0.292 493 I C -1.045 175.027 176.117 -0.075 0.000 1.144 493 I CA -1.340 59.892 61.300 -0.113 0.000 1.038 493 I CB 1.780 39.812 38.000 0.053 0.000 1.244 493 I HN 0.451 nan 8.210 nan 0.000 0.420 494 W N 8.095 129.520 121.300 0.207 0.000 2.481 494 W HA 0.060 4.720 4.660 -0.000 0.000 0.320 494 W C 0.298 176.903 176.519 0.142 0.000 1.209 494 W CA -0.234 57.218 57.345 0.178 0.000 1.400 494 W CB 0.602 30.193 29.460 0.219 0.000 1.361 494 W HN 0.730 nan 8.180 nan 0.000 0.456 495 W N 3.068 124.431 121.300 0.105 0.000 3.638 495 W HA -0.096 4.564 4.660 -0.000 0.000 0.226 495 W C 0.386 176.880 176.519 -0.042 0.000 1.065 495 W CA 0.497 57.848 57.345 0.011 0.000 1.751 495 W CB 0.262 29.746 29.460 0.040 0.000 0.873 495 W HN 0.212 nan 8.180 nan 0.000 0.786 496 D N -0.513 119.928 120.400 0.069 0.000 2.469 496 D HA 0.251 4.891 4.640 -0.000 0.000 0.278 496 D C 1.421 177.680 176.300 -0.068 0.000 1.231 496 D CA 0.351 54.319 54.000 -0.053 0.000 1.075 496 D CB -0.351 40.515 40.800 0.111 0.000 1.121 496 D HN -0.007 nan 8.370 nan 0.000 0.571 497 G N -1.609 107.193 108.800 0.003 0.000 2.777 497 G HA2 0.053 4.012 3.960 -0.000 0.000 0.211 497 G HA3 0.053 4.012 3.960 -0.000 0.000 0.211 497 G C 0.163 175.240 174.900 0.295 0.000 1.149 497 G CA 0.498 45.642 45.100 0.074 0.000 0.785 497 G HN 0.726 nan 8.290 nan 0.000 0.536 498 D N -0.332 120.244 120.400 0.295 0.000 2.387 498 D HA 0.212 4.852 4.640 -0.000 0.000 0.251 498 D C 1.293 177.844 176.300 0.419 0.000 1.141 498 D CA -0.855 53.361 54.000 0.360 0.000 0.987 498 D CB 0.928 41.892 40.800 0.274 0.000 1.116 498 D HN -0.005 nan 8.370 nan 0.000 0.491 499 L N -0.606 120.776 121.223 0.265 0.000 2.554 499 L HA 0.117 4.457 4.340 -0.000 0.000 0.226 499 L C 0.767 177.802 176.870 0.275 0.000 1.137 499 L CA -0.029 54.895 54.840 0.140 0.000 0.863 499 L CB -0.486 41.469 42.059 -0.172 0.000 0.985 499 L HN 0.219 nan 8.230 nan 0.000 0.451 500 L N -0.064 121.348 121.223 0.314 0.000 2.476 500 L HA 0.129 4.469 4.340 -0.000 0.000 0.264 500 L C 0.659 177.800 176.870 0.452 0.000 1.224 500 L CA 0.025 55.068 54.840 0.339 0.000 0.821 500 L CB 0.225 42.456 42.059 0.286 0.000 1.101 500 L HN 0.109 nan 8.230 nan 0.000 0.488 501 R N 0.493 121.190 120.500 0.328 0.000 2.460 501 R HA 0.325 4.665 4.340 -0.000 0.000 0.303 501 R C -0.770 175.610 176.300 0.133 0.000 0.968 501 R CA -0.662 55.503 56.100 0.109 0.000 0.889 501 R CB 1.375 31.529 30.300 -0.243 0.000 1.123 501 R HN 0.522 nan 8.270 nan 0.000 0.455 502 E N 1.411 121.683 120.200 0.121 0.000 2.359 502 E HA 0.208 4.558 4.350 -0.000 0.000 0.255 502 E C -0.948 175.720 176.600 0.113 0.000 1.191 502 E CA -0.405 56.091 56.400 0.160 0.000 0.952 502 E CB 0.793 30.620 29.700 0.212 0.000 1.152 502 E HN 0.314 nan 8.360 nan 0.000 0.496 503 Q N 0.233 120.112 119.800 0.132 0.000 2.342 503 Q HA 0.624 4.964 4.340 -0.000 0.000 0.267 503 Q C -1.261 174.799 176.000 0.100 0.000 1.038 503 Q CA -0.478 55.413 55.803 0.147 0.000 0.832 503 Q CB 1.934 30.788 28.738 0.193 0.000 1.323 503 Q HN 0.432 nan 8.270 nan 0.000 0.448 504 L N 1.429 122.721 121.223 0.116 0.000 2.386 504 L HA 0.792 5.132 4.340 -0.000 0.000 0.271 504 L C -1.698 175.213 176.870 0.069 0.000 0.993 504 L CA -0.353 54.530 54.840 0.071 0.000 0.819 504 L CB 1.855 43.935 42.059 0.036 0.000 1.294 504 L HN 0.567 nan 8.230 nan 0.000 0.414 505 D N 2.358 122.784 120.400 0.043 0.000 2.769 505 D HA 0.424 5.064 4.640 -0.000 0.000 0.219 505 D C -0.263 176.039 176.300 0.002 0.000 1.245 505 D CA 0.843 54.850 54.000 0.012 0.000 0.801 505 D CB 2.201 43.023 40.800 0.037 0.000 1.598 505 D HN 0.775 nan 8.370 nan 0.000 0.485 506 S N 2.441 118.129 115.700 -0.019 0.000 3.938 506 S HA -0.316 4.154 4.470 -0.000 0.000 0.624 506 S C 0.474 175.015 174.600 -0.098 0.000 2.186 506 S CA 1.692 59.856 58.200 -0.060 0.000 4.144 506 S CB -1.163 61.976 63.200 -0.102 0.000 0.230 506 S HN 0.851 nan 8.310 nan 0.000 0.755 507 N N 2.131 120.593 118.700 -0.398 0.000 2.376 507 N HA 0.262 5.002 4.740 -0.000 0.000 0.249 507 N C -0.134 174.932 175.510 -0.740 0.000 1.140 507 N CA -0.130 52.316 53.050 -1.007 0.000 0.870 507 N CB -0.401 37.456 38.487 -1.050 0.000 1.124 507 N HN 0.528 nan 8.380 nan 0.000 0.505 508 R N 0.007 120.347 120.500 -0.267 0.000 2.740 508 R HA 0.581 4.921 4.340 -0.000 0.000 0.282 508 R C -0.619 175.652 176.300 -0.048 0.000 0.969 508 R CA -0.703 55.296 56.100 -0.168 0.000 0.918 508 R CB 2.120 32.351 30.300 -0.115 0.000 1.175 508 R HN 0.083 nan 8.270 nan 0.000 0.464 509 I N 1.973 122.474 120.570 -0.115 0.000 2.406 509 I HA 0.315 4.485 4.170 -0.000 0.000 0.290 509 I C -0.682 175.407 176.117 -0.047 0.000 0.999 509 I CA -0.667 60.558 61.300 -0.125 0.000 1.124 509 I CB 1.876 39.644 38.000 -0.385 0.000 1.289 509 I HN 0.392 nan 8.210 nan 0.000 0.441 510 D N 4.900 125.314 120.400 0.023 0.000 2.419 510 D HA 0.436 5.076 4.640 -0.000 0.000 0.234 510 D C -0.750 175.624 176.300 0.122 0.000 1.014 510 D CA -0.696 53.345 54.000 0.068 0.000 0.919 510 D CB 2.538 43.387 40.800 0.080 0.000 1.366 510 D HN 0.166 nan 8.370 nan 0.000 0.490 511 K N 0.493 120.976 120.400 0.139 0.000 2.345 511 K HA 0.231 4.551 4.320 -0.000 0.000 0.255 511 K C -1.358 175.375 176.600 0.222 0.000 0.934 511 K CA -0.771 55.626 56.287 0.184 0.000 0.801 511 K CB 1.317 33.908 32.500 0.151 0.000 1.137 511 K HN 0.436 nan 8.250 nan 0.000 0.424 512 W N 6.111 127.435 121.300 0.040 0.000 2.335 512 W HA 0.173 4.833 4.660 0.000 0.000 0.306 512 W C -0.569 175.974 176.519 0.040 0.000 1.216 512 W CA -0.389 56.959 57.345 0.005 0.000 1.237 512 W CB 0.955 30.399 29.460 -0.027 0.000 1.243 512 W HN 0.633 nan 8.180 nan 0.000 0.493 513 D N 6.614 126.738 120.400 -0.459 0.000 2.402 513 D HA -0.080 4.560 4.640 -0.000 0.000 0.235 513 D C 0.841 176.560 176.300 -0.969 0.000 1.226 513 D CA -0.190 53.462 54.000 -0.579 0.000 0.918 513 D CB 0.131 40.650 40.800 -0.469 0.000 1.043 513 D HN 0.467 nan 8.370 nan 0.000 0.506 514 Y N 2.512 122.483 120.300 -0.548 0.000 2.314 514 Y HA -0.115 4.435 4.550 -0.000 0.000 0.293 514 Y C 2.031 177.800 175.900 -0.219 0.000 1.129 514 Y CA 0.857 58.735 58.100 -0.370 0.000 1.201 514 Y CB -0.646 37.887 38.460 0.121 0.000 0.999 514 Y HN 0.337 nan 8.280 nan 0.000 0.541 515 Q N 1.830 121.318 119.800 -0.520 0.000 2.084 515 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 515 Q C 0.822 176.690 176.000 -0.221 0.000 0.978 515 Q CA 2.468 58.111 55.803 -0.268 0.000 0.844 515 Q CB -0.512 28.008 28.738 -0.363 0.000 0.898 515 Q HN 0.735 nan 8.270 nan 0.000 0.426 516 N N -1.355 117.141 118.700 -0.340 0.000 2.254 516 N HA 0.260 5.000 4.740 -0.000 0.000 0.190 516 N C -0.042 175.258 175.510 -0.350 0.000 1.107 516 N CA 0.426 53.306 53.050 -0.285 0.000 0.869 516 N CB 0.885 39.214 38.487 -0.263 0.000 0.983 516 N HN 0.334 nan 8.380 nan 0.000 0.487 517 G N 1.173 109.614 108.800 -0.599 0.000 2.298 517 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.287 517 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.287 517 G C -0.288 174.108 174.900 -0.840 0.000 1.075 517 G CA 0.555 45.191 45.100 -0.773 0.000 0.960 517 G HN 0.387 nan 8.290 nan 0.000 0.502 518 V N -3.678 115.599 119.914 -1.061 0.000 2.971 518 V HA 0.903 5.023 4.120 -0.000 0.000 0.309 518 V C 0.209 176.114 176.094 -0.316 0.000 1.130 518 V CA -0.670 61.355 62.300 -0.458 0.000 0.964 518 V CB 1.851 33.532 31.823 -0.237 0.000 1.029 518 V HN 0.587 nan 8.190 nan 0.000 0.427 519 S N 3.177 118.918 115.700 0.068 0.000 2.554 519 S HA 0.679 5.149 4.470 -0.000 0.000 0.278 519 S C -0.408 174.219 174.600 0.044 0.000 1.242 519 S CA -0.766 57.529 58.200 0.158 0.000 1.051 519 S CB 0.845 64.176 63.200 0.219 0.000 0.986 519 S HN 0.733 nan 8.310 nan 0.000 0.502 520 K N 2.219 122.645 120.400 0.044 0.000 2.422 520 K HA 0.347 4.667 4.320 -0.000 0.000 0.251 520 K C -0.684 175.937 176.600 0.035 0.000 0.933 520 K CA -0.847 55.451 56.287 0.018 0.000 0.798 520 K CB 1.562 34.058 32.500 -0.007 0.000 1.238 520 K HN 0.549 nan 8.250 nan 0.000 0.428 521 N N 1.751 120.462 118.700 0.019 0.000 2.513 521 N HA 0.113 4.852 4.740 -0.000 0.000 0.268 521 N C 0.627 176.152 175.510 0.025 0.000 1.180 521 N CA 0.444 53.501 53.050 0.012 0.000 0.948 521 N CB 0.603 39.084 38.487 -0.010 0.000 1.083 521 N HN 0.509 nan 8.380 nan 0.000 0.455 522 M N 1.389 121.007 119.600 0.030 0.000 2.858 522 M HA 0.206 4.686 4.480 -0.000 0.000 0.255 522 M C -0.503 175.828 176.300 0.050 0.000 1.336 522 M CA 0.139 55.480 55.300 0.068 0.000 1.220 522 M CB 0.402 33.078 32.600 0.127 0.000 1.252 522 M HN 0.450 nan 8.290 nan 0.000 0.538 523 L N 0.180 121.384 121.223 -0.032 0.000 2.436 523 L HA 0.478 4.818 4.340 -0.000 0.000 0.268 523 L C -1.311 175.470 176.870 -0.147 0.000 0.974 523 L CA 0.146 54.943 54.840 -0.072 0.000 0.826 523 L CB 2.345 44.301 42.059 -0.171 0.000 1.291 523 L HN -0.158 nan 8.230 nan 0.000 0.406 524 T N 4.402 118.869 114.554 -0.145 0.000 2.815 524 T HA 0.644 4.994 4.350 -0.000 0.000 0.289 524 T C -0.202 174.333 174.700 -0.275 0.000 1.000 524 T CA -0.166 61.796 62.100 -0.230 0.000 0.958 524 T CB 1.374 70.149 68.868 -0.155 0.000 0.944 524 T HN 0.768 nan 8.240 nan 0.000 0.442 525 A N 3.293 125.795 122.820 -0.531 0.000 2.922 525 A HA 0.496 4.816 4.320 -0.000 0.000 0.298 525 A C 0.881 178.253 177.584 -0.354 0.000 1.588 525 A CA -0.409 51.303 52.037 -0.542 0.000 1.288 525 A CB -0.293 18.000 19.000 -1.179 0.000 1.130 525 A HN 0.680 nan 8.150 nan 0.000 0.557 526 S N 1.595 117.202 115.700 -0.155 0.000 2.544 526 S HA 0.395 4.865 4.470 -0.000 0.000 0.290 526 S C 1.577 176.121 174.600 -0.094 0.000 1.276 526 S CA 1.215 59.349 58.200 -0.110 0.000 1.075 526 S CB -0.011 63.167 63.200 -0.035 0.000 0.849 526 S HN 2.158 nan 8.310 nan 0.000 0.494 527 G N 2.797 111.525 108.800 -0.119 0.000 2.199 527 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.254 527 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.254 527 G C 0.159 174.975 174.900 -0.141 0.000 0.982 527 G CA 0.120 45.160 45.100 -0.101 0.000 0.632 527 G HN 1.374 nan 8.290 nan 0.000 0.529 528 A N -0.319 122.368 122.820 -0.222 0.000 2.306 528 A HA 1.055 5.375 4.320 -0.000 0.000 0.330 528 A C 0.264 177.633 177.584 -0.358 0.000 1.146 528 A CA 0.641 52.522 52.037 -0.260 0.000 0.827 528 A CB 1.622 20.434 19.000 -0.312 0.000 1.178 528 A HN 2.089 nan 8.150 nan 0.000 0.490 529 A N 0.354 123.026 122.820 -0.247 0.000 2.435 529 A HA 0.839 5.159 4.320 -0.000 0.000 0.304 529 A C 0.127 177.657 177.584 -0.091 0.000 1.064 529 A CA -0.010 51.901 52.037 -0.210 0.000 0.727 529 A CB 1.122 20.060 19.000 -0.104 0.000 1.284 529 A HN 2.188 nan 8.150 nan 0.000 0.415 530 A N 1.289 124.064 122.820 -0.075 0.000 2.240 530 A HA 0.740 5.060 4.320 -0.000 0.000 0.292 530 A C -0.011 177.587 177.584 0.023 0.000 1.121 530 A CA -0.588 51.490 52.037 0.069 0.000 0.851 530 A CB 0.238 19.262 19.000 0.039 0.000 1.167 530 A HN 0.837 nan 8.150 nan 0.000 0.503 531 N N -0.748 117.963 118.700 0.018 0.000 2.531 531 N HA 0.378 5.118 4.740 -0.000 0.000 0.290 531 N C -0.803 174.704 175.510 -0.005 0.000 1.257 531 N CA -0.470 52.586 53.050 0.009 0.000 0.863 531 N CB 0.740 39.236 38.487 0.015 0.000 1.320 531 N HN 0.702 nan 8.380 nan 0.000 0.538 532 N N -0.549 118.156 118.700 0.009 0.000 2.780 532 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 532 N C 0.697 176.195 175.510 -0.020 0.000 1.102 532 N CA 0.414 53.467 53.050 0.005 0.000 0.697 532 N CB -1.134 37.357 38.487 0.007 0.000 1.028 532 N HN 0.942 nan 8.380 nan 0.000 0.554 533 G N 0.140 108.932 108.800 -0.013 0.000 2.583 533 G HA2 -0.494 3.466 3.960 -0.000 0.000 0.292 533 G HA3 -0.494 3.466 3.960 -0.000 0.000 0.292 533 G C 1.094 175.970 174.900 -0.040 0.000 1.203 533 G CA 1.665 46.753 45.100 -0.021 0.000 0.987 533 G HN 0.873 nan 8.290 nan 0.000 0.554 534 T N -0.791 113.733 114.554 -0.049 0.000 3.007 534 T HA 0.039 4.389 4.350 -0.000 0.000 0.270 534 T C 2.004 176.657 174.700 -0.078 0.000 1.107 534 T CA 1.889 63.956 62.100 -0.056 0.000 1.118 534 T CB -0.115 68.722 68.868 -0.050 0.000 0.889 534 T HN 0.528 nan 8.240 nan 0.000 0.506 535 K N 1.851 122.184 120.400 -0.111 0.000 2.147 535 K HA 0.202 4.522 4.320 -0.000 0.000 0.205 535 K C 1.584 178.135 176.600 -0.082 0.000 1.049 535 K CA 0.833 57.046 56.287 -0.124 0.000 0.936 535 K CB -1.001 31.396 32.500 -0.171 0.000 0.722 535 K HN 0.646 nan 8.250 nan 0.000 0.446 536 A N 1.999 124.778 122.820 -0.069 0.000 2.466 536 A HA -0.167 4.153 4.320 -0.000 0.000 0.295 536 A C 0.424 177.946 177.584 -0.103 0.000 1.465 536 A CA 1.140 53.139 52.037 -0.063 0.000 0.744 536 A CB -2.346 16.622 19.000 -0.053 0.000 1.098 536 A HN 0.470 nan 8.150 nan 0.000 0.402 537 T N -0.830 113.649 114.554 -0.125 0.000 2.928 537 T HA 0.738 5.088 4.350 -0.000 0.000 0.284 537 T C -2.047 172.536 174.700 -0.195 0.000 1.008 537 T CA -1.674 60.263 62.100 -0.272 0.000 1.057 537 T CB 2.041 70.791 68.868 -0.197 0.000 1.018 537 T HN 0.418 nan 8.240 nan 0.000 0.493 538 P HA 0.195 nan 4.420 nan 0.000 0.274 538 P C 0.834 178.014 177.300 -0.200 0.000 1.237 538 P CA -0.323 62.586 63.100 -0.318 0.000 0.793 538 P CB 0.504 31.782 31.700 -0.704 0.000 0.977 539 T N 0.183 114.655 114.554 -0.137 0.000 2.699 539 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 539 T C 0.739 175.390 174.700 -0.083 0.000 1.036 539 T CA 1.563 63.612 62.100 -0.085 0.000 1.147 539 T CB -0.418 68.403 68.868 -0.078 0.000 0.862 539 T HN 0.338 nan 8.240 nan 0.000 0.446 540 L N -0.327 120.810 121.223 -0.143 0.000 2.591 540 L HA 0.422 4.762 4.340 -0.000 0.000 0.257 540 L C -1.651 175.141 176.870 -0.130 0.000 0.935 540 L CA -0.586 54.200 54.840 -0.088 0.000 0.873 540 L CB 2.240 44.266 42.059 -0.055 0.000 1.397 540 L HN -0.013 nan 8.230 nan 0.000 0.414 541 Q N 3.371 123.156 119.800 -0.026 0.000 2.330 541 Q HA 0.899 5.239 4.340 -0.000 0.000 0.269 541 Q C -1.715 174.309 176.000 0.039 0.000 1.022 541 Q CA -0.344 55.461 55.803 0.002 0.000 0.796 541 Q CB 1.937 30.748 28.738 0.121 0.000 1.271 541 Q HN 0.987 nan 8.270 nan 0.000 0.450 542 A N 3.169 126.048 122.820 0.098 0.000 2.590 542 A HA 0.250 4.570 4.320 -0.000 0.000 0.296 542 A C -1.702 176.019 177.584 0.228 0.000 1.050 542 A CA -0.764 51.383 52.037 0.182 0.000 0.697 542 A CB 1.491 20.515 19.000 0.041 0.000 1.277 542 A HN 0.789 nan 8.150 nan 0.000 0.411 543 D N 1.753 122.331 120.400 0.297 0.000 2.441 543 D HA 0.306 4.946 4.640 -0.000 0.000 0.243 543 D C 0.815 177.221 176.300 0.176 0.000 1.257 543 D CA -0.007 54.102 54.000 0.181 0.000 1.027 543 D CB -0.030 40.818 40.800 0.080 0.000 1.084 543 D HN 0.584 nan 8.370 nan 0.000 0.514 544 L N 1.743 123.076 121.223 0.182 0.000 2.693 544 L HA 0.375 4.715 4.340 -0.000 0.000 0.235 544 L C -0.441 176.598 176.870 0.281 0.000 1.127 544 L CA -0.315 54.672 54.840 0.245 0.000 0.914 544 L CB -0.378 41.781 42.059 0.167 0.000 1.193 544 L HN 0.231 nan 8.230 nan 0.000 0.502 545 L N -4.344 117.000 121.223 0.202 0.000 2.940 545 L HA 0.984 5.324 4.340 -0.000 0.000 0.270 545 L C 0.300 177.231 176.870 0.102 0.000 1.030 545 L CA -0.163 54.776 54.840 0.165 0.000 0.928 545 L CB 0.452 42.630 42.059 0.198 0.000 1.506 545 L HN 0.253 nan 8.230 nan 0.000 0.405 546 G N 0.586 109.429 108.800 0.072 0.000 2.578 546 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.275 546 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.275 546 G C -0.324 174.553 174.900 -0.038 0.000 1.271 546 G CA 0.783 45.886 45.100 0.005 0.000 0.941 546 G HN 1.589 nan 8.290 nan 0.000 0.564 547 D N -0.356 119.960 120.400 -0.139 0.000 2.398 547 D HA 0.188 4.828 4.640 -0.000 0.000 0.264 547 D C 1.856 178.108 176.300 -0.080 0.000 1.263 547 D CA 0.342 54.247 54.000 -0.158 0.000 1.037 547 D CB -0.482 40.146 40.800 -0.287 0.000 1.101 547 D HN 0.931 nan 8.370 nan 0.000 0.551 548 W N -1.036 120.206 121.300 -0.096 0.000 2.538 548 W HA 0.024 4.684 4.660 -0.000 0.000 0.254 548 W C -0.030 176.465 176.519 -0.041 0.000 1.249 548 W CA -0.502 56.792 57.345 -0.084 0.000 1.253 548 W CB -0.834 28.555 29.460 -0.118 0.000 1.130 548 W HN -0.012 nan 8.180 nan 0.000 0.618 549 R N 2.174 122.303 120.500 -0.619 0.000 2.738 549 R HA 0.082 4.422 4.340 -0.000 0.000 0.268 549 R C 0.087 176.371 176.300 -0.026 0.000 1.062 549 R CA 0.233 56.068 56.100 -0.443 0.000 1.158 549 R CB 0.303 30.240 30.300 -0.604 0.000 1.046 549 R HN 0.100 nan 8.270 nan 0.000 0.493 550 E N 1.304 121.612 120.200 0.179 0.000 2.249 550 E HA 0.114 4.464 4.350 -0.000 0.000 0.280 550 E C -0.552 176.238 176.600 0.316 0.000 1.016 550 E CA -0.527 56.035 56.400 0.270 0.000 0.830 550 E CB 1.148 31.054 29.700 0.343 0.000 1.081 550 E HN 0.328 nan 8.360 nan 0.000 0.395 551 E N 0.923 121.279 120.200 0.261 0.000 2.349 551 E HA 0.259 4.609 4.350 -0.000 0.000 0.262 551 E C -0.881 175.813 176.600 0.158 0.000 1.088 551 E CA -0.400 56.179 56.400 0.299 0.000 0.899 551 E CB 1.168 31.024 29.700 0.259 0.000 1.044 551 E HN 0.121 nan 8.360 nan 0.000 0.420 552 V N 1.736 121.699 119.914 0.081 0.000 2.495 552 V HA 0.378 4.498 4.120 -0.000 0.000 0.298 552 V C -0.641 175.343 176.094 -0.184 0.000 1.031 552 V CA -0.976 61.136 62.300 -0.313 0.000 0.871 552 V CB 1.834 33.070 31.823 -0.978 0.000 0.988 552 V HN 0.368 nan 8.190 nan 0.000 0.432 553 V N 3.771 123.527 119.914 -0.264 0.000 2.328 553 V HA 0.457 4.577 4.120 -0.000 0.000 0.278 553 V C -0.772 175.206 176.094 -0.193 0.000 1.021 553 V CA -0.475 61.763 62.300 -0.105 0.000 0.838 553 V CB 1.272 33.063 31.823 -0.053 0.000 0.999 553 V HN 0.784 nan 8.190 nan 0.000 0.447 554 W N 4.468 125.779 121.300 0.018 0.000 2.736 554 W HA 0.559 5.219 4.660 -0.000 0.000 0.335 554 W C 0.381 176.858 176.519 -0.070 0.000 1.059 554 W CA -1.016 56.296 57.345 -0.055 0.000 1.226 554 W CB 2.212 31.618 29.460 -0.088 0.000 1.416 554 W HN 0.640 nan 8.180 nan 0.000 0.505 555 R N 0.235 120.822 120.500 0.146 0.000 2.679 555 R HA 0.390 4.730 4.340 -0.000 0.000 0.269 555 R C 0.573 176.883 176.300 0.017 0.000 1.076 555 R CA -0.209 55.907 56.100 0.027 0.000 1.160 555 R CB 0.198 30.489 30.300 -0.015 0.000 1.054 555 R HN 0.379 nan 8.270 nan 0.000 0.507 556 T N -1.428 113.113 114.554 -0.023 0.000 2.813 556 T HA 0.007 4.357 4.350 -0.000 0.000 0.297 556 T C 1.032 175.718 174.700 -0.023 0.000 1.036 556 T CA -0.447 61.628 62.100 -0.042 0.000 1.044 556 T CB 1.105 69.947 68.868 -0.043 0.000 0.993 556 T HN 0.773 nan 8.240 nan 0.000 0.535 557 E N 0.931 121.110 120.200 -0.035 0.000 2.097 557 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 557 E C 1.532 178.139 176.600 0.012 0.000 1.000 557 E CA 1.971 58.358 56.400 -0.022 0.000 0.804 557 E CB -0.295 29.386 29.700 -0.032 0.000 0.740 557 E HN 0.893 nan 8.360 nan 0.000 0.454 558 D N -1.498 118.914 120.400 0.020 0.000 2.328 558 D HA 0.045 4.685 4.640 -0.000 0.000 0.221 558 D C -0.080 176.274 176.300 0.090 0.000 1.072 558 D CA 0.577 54.605 54.000 0.047 0.000 0.850 558 D CB -0.048 40.772 40.800 0.033 0.000 0.922 558 D HN -0.017 nan 8.370 nan 0.000 0.516 559 S N -1.073 114.681 115.700 0.090 0.000 3.473 559 S HA -0.252 4.218 4.470 -0.000 0.000 0.339 559 S C 1.329 176.033 174.600 0.173 0.000 1.148 559 S CA 0.869 59.157 58.200 0.147 0.000 0.969 559 S CB -2.252 61.133 63.200 0.308 0.000 0.936 559 S HN 0.666 nan 8.310 nan 0.000 0.530 560 S N -0.657 115.094 115.700 0.086 0.000 2.489 560 S HA 0.563 5.033 4.470 -0.000 0.000 0.228 560 S C 0.602 175.211 174.600 0.014 0.000 0.995 560 S CA 0.400 58.637 58.200 0.062 0.000 0.934 560 S CB 0.167 63.384 63.200 0.029 0.000 0.771 560 S HN 1.470 nan 8.310 nan 0.000 0.522 561 A N 0.197 123.003 122.820 -0.023 0.000 2.612 561 A HA 0.702 5.022 4.320 -0.000 0.000 0.293 561 A C -1.275 176.242 177.584 -0.112 0.000 1.075 561 A CA -0.960 51.022 52.037 -0.092 0.000 0.680 561 A CB 0.751 19.697 19.000 -0.090 0.000 1.279 561 A HN 0.301 nan 8.150 nan 0.000 0.411 562 L N 0.750 121.879 121.223 -0.157 0.000 2.334 562 L HA 0.639 4.979 4.340 -0.000 0.000 0.275 562 L C 0.255 177.072 176.870 -0.087 0.000 1.036 562 L CA -0.571 54.202 54.840 -0.112 0.000 0.807 562 L CB 1.534 43.510 42.059 -0.138 0.000 1.231 562 L HN 0.733 nan 8.230 nan 0.000 0.438 563 R N 2.967 123.457 120.500 -0.017 0.000 2.437 563 R HA 0.579 4.919 4.340 -0.000 0.000 0.310 563 R C -1.018 175.359 176.300 0.129 0.000 0.955 563 R CA -0.592 55.487 56.100 -0.034 0.000 0.851 563 R CB 1.961 32.131 30.300 -0.216 0.000 1.161 563 R HN 0.515 nan 8.270 nan 0.000 0.446 564 I N 4.108 124.740 120.570 0.104 0.000 2.307 564 I HA 0.225 4.395 4.170 -0.000 0.000 0.289 564 I C -0.602 175.725 176.117 0.350 0.000 1.021 564 I CA -0.591 60.850 61.300 0.234 0.000 1.224 564 I CB 0.524 38.660 38.000 0.227 0.000 1.376 564 I HN 0.421 nan 8.210 nan 0.000 0.470 565 Y N 4.194 124.731 120.300 0.395 0.000 2.313 565 Y HA 0.340 4.890 4.550 -0.000 0.000 0.332 565 Y C 0.782 177.037 175.900 0.592 0.000 1.071 565 Y CA -0.105 58.327 58.100 0.552 0.000 1.169 565 Y CB 1.693 40.439 38.460 0.477 0.000 1.192 565 Y HN 0.407 nan 8.280 nan 0.000 0.487 566 T N 2.285 117.229 114.554 0.651 0.000 2.863 566 T HA 0.228 4.578 4.350 -0.000 0.000 0.285 566 T C -0.330 174.326 174.700 -0.074 0.000 1.009 566 T CA -0.564 61.707 62.100 0.285 0.000 0.989 566 T CB 1.109 70.025 68.868 0.081 0.000 1.004 566 T HN 0.657 nan 8.240 nan 0.000 0.455 567 T N 1.588 115.725 114.554 -0.695 0.000 2.918 567 T HA 0.312 4.662 4.350 -0.000 0.000 0.302 567 T C 1.309 175.428 174.700 -0.968 0.000 1.045 567 T CA 0.280 61.648 62.100 -1.220 0.000 1.114 567 T CB 0.371 68.201 68.868 -1.730 0.000 0.965 567 T HN 0.810 nan 8.240 nan 0.000 0.540 568 T N 2.220 116.167 114.554 -1.010 0.000 3.182 568 T HA 0.370 4.720 4.350 -0.000 0.000 0.277 568 T C 0.506 174.463 174.700 -1.238 0.000 1.013 568 T CA -0.357 60.794 62.100 -1.581 0.000 0.900 568 T CB -0.436 67.951 68.868 -0.800 0.000 1.098 568 T HN 0.522 nan 8.240 nan 0.000 0.543 569 I N 3.291 123.346 120.570 -0.858 0.000 2.379 569 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 569 I C -2.300 173.621 176.117 -0.326 0.000 1.063 569 I CA -2.582 58.437 61.300 -0.469 0.000 1.351 569 I CB 0.852 38.635 38.000 -0.361 0.000 1.410 569 I HN -0.022 nan 8.210 nan 0.000 0.505 570 P HA 0.066 nan 4.420 nan 0.000 0.269 570 P C -0.398 176.885 177.300 -0.028 0.000 1.215 570 P CA -0.100 63.026 63.100 0.043 0.000 0.780 570 P CB 0.697 32.412 31.700 0.026 0.000 0.898 571 T N 0.041 114.584 114.554 -0.018 0.000 2.900 571 T HA 0.237 4.587 4.350 -0.000 0.000 0.295 571 T C 0.403 175.058 174.700 -0.075 0.000 1.044 571 T CA -0.536 61.559 62.100 -0.008 0.000 0.995 571 T CB 0.914 69.848 68.868 0.111 0.000 1.072 571 T HN 0.309 nan 8.240 nan 0.000 0.473 572 E N 1.365 121.434 120.200 -0.217 0.000 2.479 572 E HA 0.070 4.420 4.350 -0.000 0.000 0.193 572 E C -0.107 176.293 176.600 -0.333 0.000 1.049 572 E CA 0.049 56.269 56.400 -0.300 0.000 0.870 572 E CB 0.171 29.654 29.700 -0.361 0.000 0.944 572 E HN 0.507 nan 8.360 nan 0.000 0.492 573 H N 0.943 120.063 119.070 0.083 0.000 2.467 573 H HA 0.355 4.911 4.556 0.000 0.000 0.326 573 H C -0.337 175.015 175.328 0.040 0.000 1.094 573 H CA -0.452 55.610 56.048 0.023 0.000 1.253 573 H CB 1.218 30.971 29.762 -0.015 0.000 1.439 573 H HN -0.042 nan 8.280 nan 0.000 0.479 574 R N 3.146 123.626 120.500 -0.033 0.000 2.387 574 R HA 0.472 4.811 4.340 -0.000 0.000 0.314 574 R C -1.486 174.657 176.300 -0.261 0.000 0.958 574 R CA -0.717 55.303 56.100 -0.132 0.000 0.846 574 R CB 0.515 30.643 30.300 -0.286 0.000 1.147 574 R HN 0.353 nan 8.270 nan 0.000 0.447 575 L N 3.841 124.918 121.223 -0.243 0.000 2.371 575 L HA 0.423 4.763 4.340 -0.000 0.000 0.262 575 L C -0.946 175.963 176.870 0.064 0.000 1.006 575 L CA -0.768 53.920 54.840 -0.253 0.000 0.818 575 L CB 1.378 43.051 42.059 -0.643 0.000 1.354 575 L HN 0.485 nan 8.230 nan 0.000 0.415 576 Y N 0.333 120.717 120.300 0.140 0.000 2.811 576 Y HA 0.009 4.559 4.550 0.000 0.000 0.334 576 Y C 1.337 177.273 175.900 0.061 0.000 1.247 576 Y CA 0.526 58.647 58.100 0.035 0.000 1.526 576 Y CB 0.260 38.652 38.460 -0.113 0.000 1.284 576 Y HN 0.549 nan 8.280 nan 0.000 0.586 577 T N 4.397 119.084 114.554 0.221 0.000 2.923 577 T HA -0.046 4.304 4.350 -0.000 0.000 0.304 577 T C 1.278 176.006 174.700 0.047 0.000 1.044 577 T CA -0.133 62.027 62.100 0.100 0.000 1.141 577 T CB 0.139 69.003 68.868 -0.007 0.000 1.023 577 T HN 0.660 nan 8.240 nan 0.000 0.533 578 L N 4.627 125.811 121.223 -0.065 0.000 2.275 578 L HA -0.054 4.286 4.340 -0.000 0.000 0.215 578 L C 2.517 179.331 176.870 -0.093 0.000 1.119 578 L CA 0.642 55.306 54.840 -0.295 0.000 0.790 578 L CB -0.396 41.065 42.059 -0.998 0.000 0.919 578 L HN 0.655 nan 8.230 nan 0.000 0.443 579 M N -1.185 118.440 119.600 0.042 0.000 2.630 579 M HA -0.107 4.373 4.480 -0.000 0.000 0.254 579 M C 1.305 177.729 176.300 0.208 0.000 1.092 579 M CA 1.408 56.820 55.300 0.186 0.000 1.087 579 M CB -1.176 31.547 32.600 0.204 0.000 1.453 579 M HN 0.356 nan 8.290 nan 0.000 0.509 580 H N -1.391 117.746 119.070 0.112 0.000 2.529 580 H HA 0.115 4.671 4.556 -0.000 0.000 0.277 580 H C -0.193 175.154 175.328 0.031 0.000 1.004 580 H CA -0.488 55.587 56.048 0.046 0.000 1.167 580 H CB 0.506 30.262 29.762 -0.011 0.000 1.445 580 H HN 0.265 nan 8.280 nan 0.000 0.554 581 D N 1.264 121.793 120.400 0.215 0.000 2.225 581 D HA 0.051 4.691 4.640 -0.000 0.000 0.248 581 D C -1.423 174.973 176.300 0.161 0.000 1.096 581 D CA -2.386 51.738 54.000 0.206 0.000 0.863 581 D CB 1.552 42.524 40.800 0.287 0.000 1.156 581 D HN -0.019 nan 8.370 nan 0.000 0.450 582 P HA -0.127 nan 4.420 nan 0.000 0.225 582 P C 0.913 178.229 177.300 0.028 0.000 1.148 582 P CA 0.559 63.649 63.100 -0.016 0.000 0.779 582 P CB 0.406 32.066 31.700 -0.066 0.000 0.780 583 V N -2.062 117.914 119.914 0.104 0.000 2.788 583 V HA -0.080 4.040 4.120 -0.000 0.000 0.241 583 V C 2.427 178.579 176.094 0.097 0.000 1.083 583 V CA 0.564 62.933 62.300 0.116 0.000 1.103 583 V CB -1.087 30.822 31.823 0.143 0.000 0.800 583 V HN -0.076 nan 8.190 nan 0.000 0.476 584 Y N 1.705 122.019 120.300 0.023 0.000 2.145 584 Y HA -0.275 4.275 4.550 -0.000 0.000 0.286 584 Y C 2.742 178.597 175.900 -0.075 0.000 1.145 584 Y CA 2.350 60.441 58.100 -0.016 0.000 1.148 584 Y CB -0.020 38.469 38.460 0.049 0.000 0.981 584 Y HN 0.143 nan 8.280 nan 0.000 0.507 585 R N 0.727 121.352 120.500 0.208 0.000 2.105 585 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 585 R C 1.983 178.278 176.300 -0.009 0.000 1.135 585 R CA 1.971 58.160 56.100 0.148 0.000 0.967 585 R CB -0.926 29.520 30.300 0.244 0.000 0.861 585 R HN 0.525 nan 8.270 nan 0.000 0.442 586 L N -0.918 120.273 121.223 -0.053 0.000 2.141 586 L HA 0.037 4.377 4.340 -0.000 0.000 0.209 586 L C 2.360 178.847 176.870 -0.638 0.000 1.094 586 L CA 1.240 55.995 54.840 -0.142 0.000 0.763 586 L CB -0.806 41.264 42.059 0.019 0.000 0.908 586 L HN 0.454 nan 8.230 nan 0.000 0.437 587 G N 0.520 108.790 108.800 -0.883 0.000 2.422 587 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 587 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 587 G C 1.506 175.528 174.900 -1.462 0.000 1.146 587 G CA 0.331 44.307 45.100 -1.874 0.000 0.769 587 G HN 0.138 nan 8.290 nan 0.000 0.547 588 I N 2.002 122.066 120.570 -0.843 0.000 2.226 588 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 588 I C 3.225 179.116 176.117 -0.378 0.000 1.100 588 I CA 0.988 61.967 61.300 -0.536 0.000 1.374 588 I CB -1.413 36.380 38.000 -0.346 0.000 1.057 588 I HN 0.253 nan 8.210 nan 0.000 0.413 589 A N 1.414 124.055 122.820 -0.299 0.000 1.908 589 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 589 A C 2.070 179.587 177.584 -0.112 0.000 1.181 589 A CA 1.632 53.596 52.037 -0.123 0.000 0.627 589 A CB -1.078 17.927 19.000 0.009 0.000 0.818 589 A HN 0.727 nan 8.150 nan 0.000 0.445 590 W N -0.876 120.366 121.300 -0.097 0.000 3.290 590 W HA 0.220 4.880 4.660 -0.000 0.000 0.287 590 W C 1.285 177.725 176.519 -0.132 0.000 1.288 590 W CA 0.326 57.603 57.345 -0.113 0.000 1.725 590 W CB -0.525 28.888 29.460 -0.078 0.000 1.103 590 W HN 0.489 nan 8.180 nan 0.000 0.670 591 Q N 3.104 122.896 119.800 -0.013 0.000 2.112 591 Q HA -0.304 4.036 4.340 -0.000 0.000 0.206 591 Q C 1.963 178.033 176.000 0.117 0.000 0.987 591 Q CA 2.892 58.733 55.803 0.063 0.000 0.858 591 Q CB -0.318 28.357 28.738 -0.106 0.000 0.905 591 Q HN 0.543 nan 8.270 nan 0.000 0.420 592 N N 0.422 119.106 118.700 -0.026 0.000 2.381 592 N HA -0.112 4.628 4.740 -0.000 0.000 0.182 592 N C 0.948 176.474 175.510 0.027 0.000 1.025 592 N CA 0.844 53.866 53.050 -0.047 0.000 0.888 592 N CB -0.744 37.539 38.487 -0.340 0.000 0.965 592 N HN 0.445 nan 8.380 nan 0.000 0.438 593 I N -2.767 117.834 120.570 0.051 0.000 2.648 593 I HA 0.342 4.512 4.170 -0.000 0.000 0.284 593 I C 1.070 177.226 176.117 0.066 0.000 1.153 593 I CA -0.480 60.858 61.300 0.062 0.000 1.426 593 I CB 0.482 38.527 38.000 0.074 0.000 1.381 593 I HN 0.347 nan 8.210 nan 0.000 0.571 594 A N 5.368 128.212 122.820 0.041 0.000 5.328 594 A HA -0.321 3.999 4.320 -0.000 0.000 0.346 594 A C 0.136 177.749 177.584 0.048 0.000 1.675 594 A CA 1.731 53.734 52.037 -0.058 0.000 0.717 594 A CB -1.929 17.091 19.000 0.034 0.000 1.467 594 A HN 0.887 nan 8.150 nan 0.000 0.409 595 Y N 2.048 122.376 120.300 0.046 0.000 2.600 595 Y HA 0.349 4.899 4.550 -0.000 0.000 0.351 595 Y C 0.568 176.498 175.900 0.050 0.000 1.042 595 Y CA -0.965 57.153 58.100 0.029 0.000 1.333 595 Y CB -0.966 37.514 38.460 0.033 0.000 1.172 595 Y HN 0.451 nan 8.280 nan 0.000 0.517 596 N N 3.420 122.277 118.700 0.261 0.000 2.217 596 N HA -0.076 4.664 4.740 -0.000 0.000 0.268 596 N C -0.060 175.630 175.510 0.301 0.000 1.290 596 N CA 0.438 53.654 53.050 0.277 0.000 0.831 596 N CB 0.350 39.035 38.487 0.330 0.000 1.057 596 N HN 0.419 nan 8.380 nan 0.000 0.481 597 Q N 2.191 122.093 119.800 0.171 0.000 2.348 597 Q HA 0.523 4.863 4.340 -0.000 0.000 0.271 597 Q C -2.380 173.382 176.000 -0.397 0.000 1.067 597 Q CA -1.793 53.971 55.803 -0.065 0.000 0.839 597 Q CB 1.702 30.358 28.738 -0.137 0.000 1.354 597 Q HN 0.415 nan 8.270 nan 0.000 0.447 598 P HA 0.238 nan 4.420 nan 0.000 0.274 598 P C -2.539 174.465 177.300 -0.494 0.000 1.231 598 P CA -1.286 61.177 63.100 -1.062 0.000 0.790 598 P CB 0.183 31.315 31.700 -0.946 0.000 0.951 599 P HA 0.285 nan 4.420 nan 0.000 0.279 599 P C -0.593 176.449 177.300 -0.430 0.000 1.252 599 P CA 0.090 62.849 63.100 -0.569 0.000 0.811 599 P CB 1.008 32.115 31.700 -0.989 0.000 1.035 600 H N -0.821 118.238 119.070 -0.018 0.000 2.797 600 H HA 0.345 4.901 4.556 -0.000 0.000 0.372 600 H C 0.095 175.564 175.328 0.235 0.000 1.168 600 H CA -0.314 55.838 56.048 0.174 0.000 1.163 600 H CB 2.167 32.017 29.762 0.145 0.000 1.778 600 H HN 0.388 nan 8.280 nan 0.000 0.551 601 T N -1.403 113.340 114.554 0.315 0.000 2.918 601 T HA 0.109 4.459 4.350 -0.000 0.000 0.283 601 T C 1.423 176.098 174.700 -0.043 0.000 1.001 601 T CA -0.330 61.758 62.100 -0.020 0.000 1.041 601 T CB 1.141 69.578 68.868 -0.718 0.000 1.028 601 T HN 0.603 nan 8.240 nan 0.000 0.511 602 S N 0.332 116.039 115.700 0.011 0.000 2.481 602 S HA 0.080 4.550 4.470 -0.000 0.000 0.231 602 S C 0.418 175.124 174.600 0.178 0.000 0.996 602 S CA -0.333 57.945 58.200 0.130 0.000 0.942 602 S CB -1.005 62.310 63.200 0.192 0.000 0.768 602 S HN 0.771 nan 8.310 nan 0.000 0.520 603 F N -1.020 119.009 119.950 0.131 0.000 2.575 603 F HA 0.740 5.267 4.527 -0.000 0.000 0.330 603 F C -0.469 175.442 175.800 0.185 0.000 1.056 603 F CA -2.515 55.565 58.000 0.133 0.000 0.964 603 F CB 0.343 39.385 39.000 0.070 0.000 1.258 603 F HN -0.063 nan 8.300 nan 0.000 0.484 604 F N 3.721 123.812 119.950 0.235 0.000 2.487 604 F HA 0.328 4.855 4.527 -0.000 0.000 0.364 604 F C -0.734 175.192 175.800 0.209 0.000 1.126 604 F CA -0.702 57.396 58.000 0.163 0.000 1.135 604 F CB 0.204 39.301 39.000 0.160 0.000 1.127 604 F HN 0.551 nan 8.300 nan 0.000 0.559 605 L N 7.691 128.579 121.223 -0.559 0.000 2.264 605 L HA 0.741 5.081 4.340 -0.000 0.000 0.287 605 L C -0.036 176.373 176.870 -0.767 0.000 1.039 605 L CA 0.080 54.577 54.840 -0.572 0.000 0.829 605 L CB 0.140 41.793 42.059 -0.677 0.000 1.211 605 L HN 0.846 nan 8.230 nan 0.000 0.427 606 G N 2.862 111.147 108.800 -0.858 0.000 2.321 606 G HA2 0.020 3.979 3.960 -0.000 0.000 0.296 606 G HA3 0.020 3.979 3.960 -0.000 0.000 0.296 606 G C -1.854 172.944 174.900 -0.171 0.000 1.287 606 G CA -0.861 43.940 45.100 -0.499 0.000 0.846 606 G HN 0.510 nan 8.290 nan 0.000 0.508 607 D N -0.507 119.957 120.400 0.106 0.000 2.425 607 D HA 0.439 5.079 4.640 -0.000 0.000 0.247 607 D C 1.389 177.850 176.300 0.268 0.000 1.147 607 D CA 2.124 56.213 54.000 0.149 0.000 0.879 607 D CB 0.401 41.285 40.800 0.141 0.000 1.179 607 D HN 1.787 nan 8.370 nan 0.000 0.456 608 G N 3.286 112.187 108.800 0.168 0.000 2.159 608 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.256 608 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.256 608 G C 0.562 175.602 174.900 0.233 0.000 0.977 608 G CA 0.479 45.684 45.100 0.175 0.000 0.652 608 G HN 0.709 nan 8.290 nan 0.000 0.531 609 M N 0.129 119.877 119.600 0.247 0.000 2.240 609 M HA 0.678 5.157 4.480 -0.000 0.000 0.317 609 M C 0.683 177.051 176.300 0.113 0.000 1.087 609 M CA 0.322 55.773 55.300 0.252 0.000 1.176 609 M CB 0.643 33.270 32.600 0.045 0.000 1.439 609 M HN 0.969 nan 8.290 nan 0.000 0.452 610 A N 1.503 124.394 122.820 0.118 0.000 2.304 610 A HA 0.334 4.654 4.320 -0.000 0.000 0.271 610 A C -0.182 177.391 177.584 -0.019 0.000 1.091 610 A CA -0.732 51.333 52.037 0.047 0.000 0.812 610 A CB 0.065 19.099 19.000 0.057 0.000 1.056 610 A HN 0.906 nan 8.150 nan 0.000 0.489 611 E N 0.878 121.059 120.200 -0.032 0.000 2.452 611 E HA 0.170 4.520 4.350 -0.000 0.000 0.261 611 E C -0.449 176.096 176.600 -0.091 0.000 0.987 611 E CA 0.036 56.399 56.400 -0.063 0.000 0.926 611 E CB -0.073 29.609 29.700 -0.031 0.000 0.934 611 E HN 0.585 nan 8.360 nan 0.000 0.452 612 Q N 3.132 122.840 119.800 -0.153 0.000 2.261 612 Q HA 0.405 4.745 4.340 -0.000 0.000 0.252 612 Q C -2.187 173.782 176.000 -0.052 0.000 0.915 612 Q CA -2.271 53.396 55.803 -0.226 0.000 0.915 612 Q CB 0.569 28.993 28.738 -0.522 0.000 1.204 612 Q HN 0.399 nan 8.270 nan 0.000 0.421 613 P HA -0.003 nan 4.420 nan 0.000 0.274 613 P C -0.784 176.484 177.300 -0.053 0.000 1.237 613 P CA -0.464 62.625 63.100 -0.019 0.000 0.793 613 P CB 0.769 32.441 31.700 -0.048 0.000 0.977 614 K N 2.231 122.597 120.400 -0.058 0.000 2.484 614 K HA 0.066 4.385 4.320 -0.000 0.000 0.280 614 K C -1.776 174.590 176.600 -0.391 0.000 1.013 614 K CA -1.019 55.065 56.287 -0.339 0.000 1.029 614 K CB -0.367 32.037 32.500 -0.160 0.000 0.902 614 K HN 0.357 nan 8.250 nan 0.000 0.481 615 P HA -0.033 nan 4.420 nan 0.000 0.268 615 P C -0.901 176.256 177.300 -0.239 0.000 1.205 615 P CA -0.123 62.768 63.100 -0.348 0.000 0.771 615 P CB 0.427 31.905 31.700 -0.369 0.000 0.858 616 N N 3.447 122.061 118.700 -0.143 0.000 2.555 616 N HA 0.270 5.010 4.740 -0.000 0.000 0.244 616 N C -0.371 175.097 175.510 -0.070 0.000 1.114 616 N CA -0.168 52.832 53.050 -0.083 0.000 0.963 616 N CB -0.682 37.781 38.487 -0.040 0.000 1.276 616 N HN 0.381 nan 8.380 nan 0.000 0.510 617 M N 1.130 120.681 119.600 -0.082 0.000 2.569 617 M HA 0.534 5.014 4.480 -0.000 0.000 0.279 617 M C -1.601 174.701 176.300 0.003 0.000 1.253 617 M CA -1.135 54.105 55.300 -0.100 0.000 0.867 617 M CB 2.134 34.591 32.600 -0.238 0.000 1.727 617 M HN 0.125 nan 8.290 nan 0.000 0.467 618 Y N -1.495 118.773 120.300 -0.052 0.000 2.576 618 Y HA 0.920 5.470 4.550 -0.000 0.000 0.346 618 Y C -0.762 175.124 175.900 -0.024 0.000 1.018 618 Y CA -0.747 57.330 58.100 -0.038 0.000 1.050 618 Y CB 1.273 39.729 38.460 -0.007 0.000 1.280 618 Y HN 0.910 nan 8.280 nan 0.000 0.474 619 T N -0.181 114.429 114.554 0.094 0.000 2.925 619 T HA 0.704 5.054 4.350 -0.000 0.000 0.285 619 T C -2.474 172.341 174.700 0.192 0.000 1.021 619 T CA -1.923 60.199 62.100 0.037 0.000 1.042 619 T CB 1.316 70.201 68.868 0.028 0.000 1.037 619 T HN 0.580 nan 8.240 nan 0.000 0.481 620 P HA 0.000 nan 4.420 nan 0.000 0.216 620 P CA 0.000 63.196 63.100 0.160 0.000 0.800 620 P CB 0.000 31.764 31.700 0.107 0.000 0.726