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 2iid_1_B DATA FIRST_RESID 4 DATA SEQUENCE RNPLAEcFQE NDYEEFLEIA RNGLKATSNP KHVVIVGAGM AGLSAAYVLA DATA SEQUENCE GAGHQVTVLE ASERPGGRVR TYRNEEAGWY ANLGPMRLPE KHRIVREYIR DATA SEQUENCE KFDLRLNEFS QENDNAWYFI KNIRKKVGEV KKDPGLLKYP VKPSEAGKSA DATA SEQUENCE GQLYEESLGK VVEELKRTNc SYILNKYDTY STKEYLIKEG DLSPGAVDMI DATA SEQUENCE GDLLNEDSGY YVSFIESLKH DDIFAYEKRF DEIVDGMDKL PTAMYRDIQD DATA SEQUENCE KVHFNAQVIK IQQNDQKVTV VYETLSKETP SVTADYVIVC TTSRAVRLIK DATA SEQUENCE FNPPLLPKKA HALRSVHYRS GTKIFLTcTT KFWEDDGIHG GKSTTDLPSR DATA SEQUENCE FIYYPNHNFT NGVGVIIAYG IGDDANFFQA LDFKDCADIV FNDLSLIHQL DATA SEQUENCE PKKDIQSFcY PSVIQKWSLD KYAMGGITTF TPYQFQHFSD PLTASQGRIY DATA SEQUENCE FAGEYTAQAH GWIDSTIKSG LRAARDVNLA SEN 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.218 176.300 -0.137 0.000 0.893 4 R CA 0.000 56.113 56.100 0.021 0.000 0.921 4 R CB 0.000 30.285 30.300 -0.025 0.000 0.687 5 N N 5.273 123.604 118.700 -0.615 0.000 2.431 5 N HA 0.104 4.844 4.740 -0.000 0.000 0.265 5 N C -1.506 173.860 175.510 -0.241 0.000 1.184 5 N CA -1.624 51.014 53.050 -0.687 0.000 0.943 5 N CB 1.155 39.042 38.487 -1.001 0.000 1.080 5 N HN 0.439 nan 8.380 nan 0.000 0.477 6 P HA -0.102 nan 4.420 nan 0.000 0.222 6 P C 0.805 178.053 177.300 -0.087 0.000 1.147 6 P CA 1.060 64.123 63.100 -0.062 0.000 0.790 6 P CB 0.358 32.052 31.700 -0.010 0.000 0.780 7 L N -1.514 119.657 121.223 -0.087 0.000 2.628 7 L HA 0.262 4.602 4.340 -0.000 0.000 0.229 7 L C 2.371 179.121 176.870 -0.200 0.000 1.137 7 L CA 0.046 54.808 54.840 -0.131 0.000 0.909 7 L CB -0.660 41.391 42.059 -0.015 0.000 1.137 7 L HN -0.123 nan 8.230 nan 0.000 0.470 8 A N 0.937 123.660 122.820 -0.162 0.000 1.892 8 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 8 A C 2.261 179.732 177.584 -0.187 0.000 1.188 8 A CA 2.224 54.170 52.037 -0.151 0.000 0.631 8 A CB -0.403 18.486 19.000 -0.186 0.000 0.822 8 A HN 0.542 nan 8.150 nan 0.000 0.447 9 E N -0.675 119.403 120.200 -0.203 0.000 2.209 9 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 9 E C 1.654 178.088 176.600 -0.277 0.000 0.993 9 E CA 1.525 57.808 56.400 -0.195 0.000 0.819 9 E CB -0.348 29.259 29.700 -0.154 0.000 0.745 9 E HN 0.664 nan 8.360 nan 0.000 0.477 10 c N 0.029 118.342 118.600 -0.479 0.000 2.481 10 c HA 0.032 4.602 4.570 -0.000 0.000 0.275 10 c C 1.165 174.793 174.090 -0.769 0.000 1.419 10 c CA -0.146 55.769 56.329 -0.691 0.000 1.773 10 c CB -1.003 40.935 42.510 -0.953 0.000 1.862 10 c HN 0.374 nan 8.230 nan 0.000 0.530 11 F N 1.179 121.031 119.950 -0.163 0.000 2.668 11 F HA 0.202 4.729 4.527 -0.000 0.000 0.301 11 F C 1.047 176.734 175.800 -0.188 0.000 1.106 11 F CA -0.715 57.174 58.000 -0.186 0.000 1.289 11 F CB -0.590 38.288 39.000 -0.202 0.000 1.006 11 F HN 0.345 nan 8.300 nan 0.000 0.535 12 Q N 0.471 120.232 119.800 -0.065 0.000 2.259 12 Q HA 0.274 4.614 4.340 -0.000 0.000 0.249 12 Q C -0.236 175.720 176.000 -0.073 0.000 0.914 12 Q CA -0.543 55.194 55.803 -0.109 0.000 0.904 12 Q CB 1.341 30.013 28.738 -0.111 0.000 1.213 12 Q HN 0.211 nan 8.270 nan 0.000 0.428 13 E N 2.437 122.577 120.200 -0.099 0.000 2.373 13 E HA 0.087 4.437 4.350 -0.000 0.000 0.267 13 E C -0.518 176.154 176.600 0.120 0.000 1.032 13 E CA -0.318 56.101 56.400 0.032 0.000 0.889 13 E CB 0.499 30.284 29.700 0.141 0.000 0.984 13 E HN 0.517 nan 8.360 nan 0.000 0.425 14 N N 2.910 121.690 118.700 0.133 0.000 2.454 14 N HA -0.040 4.700 4.740 -0.000 0.000 0.260 14 N C -0.368 175.298 175.510 0.261 0.000 1.218 14 N CA 0.401 53.545 53.050 0.157 0.000 0.904 14 N CB 0.234 38.806 38.487 0.141 0.000 1.065 14 N HN 0.378 nan 8.380 nan 0.000 0.462 15 D N 0.334 120.845 120.400 0.185 0.000 2.772 15 D HA -0.269 4.371 4.640 -0.000 0.000 0.233 15 D C 0.611 177.044 176.300 0.221 0.000 1.143 15 D CA 0.496 54.577 54.000 0.135 0.000 0.700 15 D CB -1.310 39.524 40.800 0.057 0.000 1.076 15 D HN 0.630 nan 8.370 nan 0.000 0.430 16 Y N 0.924 121.293 120.300 0.115 0.000 2.181 16 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 16 Y C 2.219 178.166 175.900 0.077 0.000 1.146 16 Y CA 1.987 60.163 58.100 0.126 0.000 1.164 16 Y CB 0.252 38.743 38.460 0.052 0.000 0.982 16 Y HN -0.018 nan 8.280 nan 0.000 0.515 17 E N 0.218 120.473 120.200 0.091 0.000 2.110 17 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 17 E C 2.116 178.651 176.600 -0.109 0.000 0.988 17 E CA 1.418 57.805 56.400 -0.022 0.000 0.804 17 E CB -0.355 29.349 29.700 0.006 0.000 0.745 17 E HN 0.682 nan 8.360 nan 0.000 0.458 18 E N -0.240 119.868 120.200 -0.153 0.000 2.085 18 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 18 E C 1.774 178.156 176.600 -0.364 0.000 0.994 18 E CA 0.903 57.125 56.400 -0.296 0.000 0.801 18 E CB -0.069 29.370 29.700 -0.434 0.000 0.743 18 E HN 0.138 nan 8.360 nan 0.000 0.453 19 F N 0.183 120.056 119.950 -0.128 0.000 2.293 19 F HA -0.055 4.472 4.527 -0.000 0.000 0.297 19 F C 2.083 177.753 175.800 -0.217 0.000 1.089 19 F CA 0.377 58.286 58.000 -0.151 0.000 1.377 19 F CB -0.376 38.536 39.000 -0.146 0.000 1.051 19 F HN 0.137 nan 8.300 nan 0.000 0.511 20 L N 0.578 121.693 121.223 -0.181 0.000 2.083 20 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 20 L C 2.320 179.100 176.870 -0.150 0.000 1.083 20 L CA 1.814 56.516 54.840 -0.229 0.000 0.752 20 L CB -0.869 41.020 42.059 -0.283 0.000 0.899 20 L HN 0.128 nan 8.230 nan 0.000 0.433 21 E N -0.210 119.914 120.200 -0.127 0.000 2.106 21 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 21 E C 2.090 178.640 176.600 -0.083 0.000 0.984 21 E CA 1.644 57.981 56.400 -0.106 0.000 0.806 21 E CB -0.389 29.249 29.700 -0.103 0.000 0.750 21 E HN 0.597 nan 8.360 nan 0.000 0.458 22 I N 0.526 121.063 120.570 -0.055 0.000 2.179 22 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 22 I C 2.403 178.535 176.117 0.024 0.000 1.088 22 I CA 1.137 62.446 61.300 0.015 0.000 1.357 22 I CB -0.428 37.633 38.000 0.100 0.000 1.051 22 I HN 0.234 nan 8.210 nan 0.000 0.409 23 A N 1.648 124.451 122.820 -0.028 0.000 1.908 23 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 23 A C 2.362 179.728 177.584 -0.363 0.000 1.181 23 A CA 2.228 54.119 52.037 -0.243 0.000 0.627 23 A CB -0.690 18.098 19.000 -0.354 0.000 0.818 23 A HN 0.543 nan 8.150 nan 0.000 0.445 24 R N -0.872 119.488 120.500 -0.233 0.000 2.062 24 R HA 0.059 4.399 4.340 -0.000 0.000 0.226 24 R C 1.171 177.397 176.300 -0.124 0.000 1.125 24 R CA 1.699 57.677 56.100 -0.203 0.000 0.966 24 R CB -0.469 29.735 30.300 -0.159 0.000 0.861 24 R HN 0.558 nan 8.270 nan 0.000 0.433 25 N N -0.265 118.388 118.700 -0.079 0.000 2.171 25 N HA 0.210 4.950 4.740 -0.000 0.000 0.212 25 N C -0.332 175.169 175.510 -0.016 0.000 1.184 25 N CA 0.172 53.194 53.050 -0.046 0.000 0.888 25 N CB 1.717 40.173 38.487 -0.051 0.000 1.038 25 N HN 0.457 nan 8.380 nan 0.000 0.517 26 G N 0.966 109.773 108.800 0.011 0.000 2.756 26 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.678 26 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.678 26 G C -0.598 174.318 174.900 0.027 0.000 1.349 26 G CA -0.909 44.219 45.100 0.047 0.000 0.847 26 G HN 0.054 nan 8.290 nan 0.000 0.548 27 L N 0.056 121.303 121.223 0.041 0.000 2.476 27 L HA 0.304 4.644 4.340 -0.000 0.000 0.264 27 L C 1.481 178.349 176.870 -0.003 0.000 1.224 27 L CA -0.296 54.558 54.840 0.023 0.000 0.821 27 L CB 0.327 42.413 42.059 0.045 0.000 1.101 27 L HN 0.582 nan 8.230 nan 0.000 0.488 28 K N 1.271 121.663 120.400 -0.013 0.000 2.451 28 K HA 0.193 4.513 4.320 -0.000 0.000 0.280 28 K C -0.060 176.523 176.600 -0.028 0.000 1.020 28 K CA -0.377 55.896 56.287 -0.023 0.000 1.008 28 K CB 0.698 33.183 32.500 -0.024 0.000 0.917 28 K HN 0.655 nan 8.250 nan 0.000 0.478 29 A N 3.218 126.012 122.820 -0.043 0.000 2.540 29 A HA -0.021 4.299 4.320 -0.000 0.000 0.239 29 A C 0.457 177.989 177.584 -0.087 0.000 1.061 29 A CA 0.256 52.251 52.037 -0.070 0.000 0.758 29 A CB 0.226 19.187 19.000 -0.066 0.000 0.991 29 A HN 0.715 nan 8.150 nan 0.000 0.502 30 T N 0.810 115.267 114.554 -0.162 0.000 2.898 30 T HA 0.318 4.668 4.350 -0.000 0.000 0.301 30 T C 1.390 176.013 174.700 -0.128 0.000 1.049 30 T CA 0.304 62.293 62.100 -0.184 0.000 1.095 30 T CB 0.332 68.907 68.868 -0.489 0.000 0.976 30 T HN 1.226 nan 8.240 nan 0.000 0.539 31 S N 2.716 118.373 115.700 -0.071 0.000 2.523 31 S HA 0.286 4.756 4.470 -0.000 0.000 0.217 31 S C 0.349 174.931 174.600 -0.030 0.000 0.996 31 S CA -0.497 57.675 58.200 -0.046 0.000 0.921 31 S CB 0.179 63.365 63.200 -0.024 0.000 0.829 31 S HN 0.646 nan 8.310 nan 0.000 0.495 32 N N 2.798 121.486 118.700 -0.021 0.000 2.675 32 N HA 0.377 5.117 4.740 -0.000 0.000 0.254 32 N C -3.316 172.219 175.510 0.043 0.000 1.224 32 N CA -0.917 52.144 53.050 0.018 0.000 0.777 32 N CB 1.814 40.330 38.487 0.049 0.000 1.256 32 N HN 0.165 nan 8.380 nan 0.000 0.531 33 P HA 0.066 nan 4.420 nan 0.000 0.265 33 P C -0.085 177.347 177.300 0.220 0.000 1.193 33 P CA 0.269 63.393 63.100 0.041 0.000 0.765 33 P CB 0.918 32.609 31.700 -0.015 0.000 0.823 34 K N 1.491 122.188 120.400 0.494 0.000 2.258 34 K HA 0.374 4.694 4.320 -0.000 0.000 0.236 34 K C -0.425 176.359 176.600 0.306 0.000 1.008 34 K CA -0.669 55.817 56.287 0.332 0.000 0.869 34 K CB 1.143 33.817 32.500 0.290 0.000 1.171 34 K HN 0.575 nan 8.250 nan 0.000 0.447 35 H N 0.206 119.344 119.070 0.112 0.000 2.476 35 H HA 0.459 5.015 4.556 -0.000 0.000 0.328 35 H C -1.104 174.264 175.328 0.067 0.000 1.073 35 H CA -0.794 55.298 56.048 0.074 0.000 1.229 35 H CB 0.946 30.734 29.762 0.043 0.000 1.432 35 H HN 0.037 nan 8.280 nan 0.000 0.477 36 V N 6.390 126.406 119.914 0.170 0.000 2.487 36 V HA 0.176 4.296 4.120 -0.000 0.000 0.298 36 V C -0.254 175.804 176.094 -0.060 0.000 1.028 36 V CA -0.857 61.447 62.300 0.005 0.000 0.860 36 V CB 1.621 33.432 31.823 -0.020 0.000 0.991 36 V HN 0.502 nan 8.190 nan 0.000 0.427 37 V N 5.787 125.615 119.914 -0.144 0.000 2.439 37 V HA 0.471 4.591 4.120 -0.000 0.000 0.282 37 V C -0.182 175.876 176.094 -0.060 0.000 1.039 37 V CA -0.429 61.800 62.300 -0.119 0.000 0.913 37 V CB 1.608 33.332 31.823 -0.165 0.000 0.983 37 V HN 0.570 nan 8.190 nan 0.000 0.460 38 I N 5.271 125.814 120.570 -0.045 0.000 2.406 38 I HA 0.372 4.542 4.170 -0.000 0.000 0.290 38 I C -0.152 175.938 176.117 -0.045 0.000 0.999 38 I CA -0.631 60.649 61.300 -0.033 0.000 1.124 38 I CB 1.779 39.769 38.000 -0.016 0.000 1.289 38 I HN 0.233 nan 8.210 nan 0.000 0.441 39 V N 5.141 125.038 119.914 -0.029 0.000 2.334 39 V HA 0.766 4.886 4.120 -0.000 0.000 0.267 39 V C 0.526 176.622 176.094 0.002 0.000 1.040 39 V CA -0.312 61.974 62.300 -0.024 0.000 0.866 39 V CB 0.565 32.389 31.823 0.001 0.000 1.019 39 V HN 1.071 nan 8.190 nan 0.000 0.468 40 G N 4.179 112.965 108.800 -0.024 0.000 3.225 40 G HA2 0.282 4.242 3.960 -0.000 0.000 0.686 40 G HA3 0.282 4.242 3.960 -0.000 0.000 0.686 40 G C -0.196 174.700 174.900 -0.007 0.000 1.105 40 G CA -0.319 44.776 45.100 -0.007 0.000 0.831 40 G HN 1.470 nan 8.290 nan 0.000 0.578 41 A N 1.848 124.662 122.820 -0.009 0.000 3.003 41 A HA 0.782 5.102 4.320 -0.000 0.000 0.301 41 A C 1.357 178.956 177.584 0.025 0.000 1.280 41 A CA 1.059 53.101 52.037 0.009 0.000 0.973 41 A CB -0.230 18.776 19.000 0.010 0.000 1.110 41 A HN 2.134 nan 8.150 nan 0.000 0.590 42 G N -1.110 107.704 108.800 0.023 0.000 2.553 42 G HA2 0.379 4.339 3.960 -0.000 0.000 0.278 42 G HA3 0.379 4.339 3.960 -0.000 0.000 0.278 42 G C 0.999 175.901 174.900 0.003 0.000 1.349 42 G CA -0.462 44.651 45.100 0.021 0.000 1.037 42 G HN 0.136 nan 8.290 nan 0.000 0.508 43 M N 0.111 119.706 119.600 -0.009 0.000 2.213 43 M HA -0.067 4.413 4.480 -0.000 0.000 0.263 43 M C 2.828 179.104 176.300 -0.039 0.000 1.062 43 M CA 1.435 56.715 55.300 -0.034 0.000 1.105 43 M CB -1.609 30.972 32.600 -0.033 0.000 1.385 43 M HN 0.596 nan 8.290 nan 0.000 0.417 44 A N 0.198 123.010 122.820 -0.014 0.000 1.873 44 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 44 A C 2.459 180.037 177.584 -0.009 0.000 1.186 44 A CA 1.962 53.989 52.037 -0.015 0.000 0.616 44 A CB -1.409 17.593 19.000 0.003 0.000 0.823 44 A HN 0.485 nan 8.150 nan 0.000 0.442 45 G N -0.380 108.424 108.800 0.006 0.000 2.402 45 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.216 45 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.216 45 G C 1.567 176.473 174.900 0.009 0.000 1.162 45 G CA 0.935 46.041 45.100 0.009 0.000 0.777 45 G HN 0.405 nan 8.290 nan 0.000 0.539 46 L N 0.821 122.046 121.223 0.003 0.000 2.046 46 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 46 L C 3.199 180.077 176.870 0.013 0.000 1.077 46 L CA 1.182 56.031 54.840 0.015 0.000 0.747 46 L CB -0.330 41.725 42.059 -0.007 0.000 0.896 46 L HN 0.175 nan 8.230 nan 0.000 0.432 47 S N -0.096 115.573 115.700 -0.052 0.000 2.356 47 S HA -0.163 4.306 4.470 -0.000 0.000 0.223 47 S C 2.201 176.829 174.600 0.048 0.000 1.032 47 S CA 1.206 59.360 58.200 -0.077 0.000 1.005 47 S CB -0.314 62.801 63.200 -0.142 0.000 0.867 47 S HN 0.500 nan 8.310 nan 0.000 0.449 48 A N 1.707 124.544 122.820 0.028 0.000 1.877 48 A HA 0.102 4.422 4.320 -0.000 0.000 0.216 48 A C 2.377 179.995 177.584 0.056 0.000 1.186 48 A CA 1.747 53.804 52.037 0.034 0.000 0.620 48 A CB -1.183 17.817 19.000 -0.001 0.000 0.822 48 A HN 0.511 nan 8.150 nan 0.000 0.443 49 A N -1.454 121.402 122.820 0.060 0.000 1.883 49 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 49 A C 2.168 179.812 177.584 0.101 0.000 1.186 49 A CA 1.759 53.835 52.037 0.066 0.000 0.624 49 A CB -0.919 18.116 19.000 0.058 0.000 0.822 49 A HN 0.736 nan 8.150 nan 0.000 0.444 50 Y N 0.971 121.285 120.300 0.022 0.000 2.128 50 Y HA -0.232 4.318 4.550 -0.000 0.000 0.284 50 Y C 2.514 178.464 175.900 0.084 0.000 1.154 50 Y CA 2.582 60.716 58.100 0.057 0.000 1.149 50 Y CB -0.200 38.300 38.460 0.068 0.000 0.976 50 Y HN 0.211 nan 8.280 nan 0.000 0.505 51 V N -1.813 118.244 119.914 0.240 0.000 2.591 51 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 51 V C 2.087 178.222 176.094 0.069 0.000 1.053 51 V CA 1.656 64.052 62.300 0.160 0.000 1.068 51 V CB -0.978 30.981 31.823 0.226 0.000 0.689 51 V HN 0.442 nan 8.190 nan 0.000 0.462 52 L N 0.816 122.081 121.223 0.071 0.000 2.056 52 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 52 L C 3.032 179.955 176.870 0.089 0.000 1.078 52 L CA 1.662 56.562 54.840 0.100 0.000 0.749 52 L CB -0.808 41.281 42.059 0.051 0.000 0.901 52 L HN 0.419 nan 8.230 nan 0.000 0.433 53 A N 0.181 123.008 122.820 0.011 0.000 1.930 53 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 53 A C 2.390 179.920 177.584 -0.089 0.000 1.175 53 A CA 1.598 53.615 52.037 -0.033 0.000 0.627 53 A CB -1.205 17.752 19.000 -0.072 0.000 0.815 53 A HN 0.438 nan 8.150 nan 0.000 0.443 54 G N -0.542 108.168 108.800 -0.150 0.000 2.432 54 G HA2 0.031 3.991 3.960 -0.000 0.000 0.219 54 G HA3 0.031 3.991 3.960 -0.000 0.000 0.219 54 G C 1.566 176.412 174.900 -0.089 0.000 1.135 54 G CA 1.196 46.199 45.100 -0.163 0.000 0.767 54 G HN 0.819 nan 8.290 nan 0.000 0.550 55 A N -0.527 122.262 122.820 -0.052 0.000 2.167 55 A HA 0.443 4.763 4.320 -0.000 0.000 0.214 55 A C 2.016 179.508 177.584 -0.154 0.000 1.151 55 A CA 1.490 53.488 52.037 -0.066 0.000 0.735 55 A CB -0.342 18.657 19.000 -0.002 0.000 0.802 55 A HN 1.607 nan 8.150 nan 0.000 0.467 56 G N -1.994 106.723 108.800 -0.138 0.000 2.168 56 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.197 56 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.197 56 G C -0.016 174.768 174.900 -0.193 0.000 0.997 56 G CA 0.167 45.166 45.100 -0.167 0.000 0.658 56 G HN 0.717 nan 8.290 nan 0.000 0.513 57 H N -0.028 119.032 119.070 -0.016 0.000 2.551 57 H HA 0.563 5.119 4.556 -0.000 0.000 0.358 57 H C 0.528 175.861 175.328 0.008 0.000 1.151 57 H CA -0.072 55.980 56.048 0.007 0.000 1.374 57 H CB 0.938 30.711 29.762 0.017 0.000 1.473 57 H HN 0.206 nan 8.280 nan 0.000 0.574 58 Q N 2.072 121.973 119.800 0.168 0.000 2.286 58 Q HA 0.315 4.655 4.340 -0.000 0.000 0.257 58 Q C -1.251 174.858 176.000 0.182 0.000 0.941 58 Q CA -0.620 55.228 55.803 0.074 0.000 0.912 58 Q CB 0.660 29.345 28.738 -0.089 0.000 1.192 58 Q HN 0.496 nan 8.270 nan 0.000 0.410 59 V N 1.127 121.119 119.914 0.130 0.000 2.823 59 V HA 0.890 5.010 4.120 -0.000 0.000 0.312 59 V C -0.723 175.472 176.094 0.168 0.000 1.072 59 V CA -0.491 61.907 62.300 0.164 0.000 0.937 59 V CB 2.423 34.297 31.823 0.085 0.000 1.013 59 V HN 0.717 nan 8.190 nan 0.000 0.430 60 T N 3.760 118.427 114.554 0.187 0.000 2.881 60 T HA 0.604 4.954 4.350 -0.000 0.000 0.291 60 T C -0.659 174.072 174.700 0.051 0.000 0.990 60 T CA -0.344 61.848 62.100 0.155 0.000 0.976 60 T CB 1.435 70.413 68.868 0.182 0.000 0.970 60 T HN 0.771 nan 8.240 nan 0.000 0.438 61 V N 5.215 125.162 119.914 0.055 0.000 2.398 61 V HA 0.509 4.629 4.120 -0.000 0.000 0.286 61 V C -0.338 175.702 176.094 -0.090 0.000 1.026 61 V CA -0.795 61.486 62.300 -0.031 0.000 0.868 61 V CB 1.354 33.148 31.823 -0.048 0.000 0.982 61 V HN 0.724 nan 8.190 nan 0.000 0.443 62 L N 4.356 125.483 121.223 -0.161 0.000 2.316 62 L HA 0.611 4.951 4.340 -0.000 0.000 0.280 62 L C -0.353 176.404 176.870 -0.189 0.000 1.006 62 L CA -0.441 54.243 54.840 -0.259 0.000 0.836 62 L CB 1.674 43.503 42.059 -0.383 0.000 1.221 62 L HN 0.623 nan 8.230 nan 0.000 0.418 63 E N 2.245 122.329 120.200 -0.193 0.000 2.171 63 E HA 0.520 4.869 4.350 -0.000 0.000 0.271 63 E C 0.327 176.867 176.600 -0.100 0.000 0.916 63 E CA -0.286 56.041 56.400 -0.122 0.000 0.774 63 E CB 2.106 31.762 29.700 -0.072 0.000 1.128 63 E HN 0.554 nan 8.360 nan 0.000 0.403 64 A N 3.570 126.273 122.820 -0.194 0.000 1.929 64 A HA 0.022 4.341 4.320 -0.000 0.000 0.216 64 A C 1.242 178.618 177.584 -0.346 0.000 1.176 64 A CA 1.291 53.165 52.037 -0.271 0.000 0.628 64 A CB -0.617 18.141 19.000 -0.403 0.000 0.816 64 A HN 0.679 nan 8.150 nan 0.000 0.444 65 S N -0.316 115.110 115.700 -0.456 0.000 2.671 65 S HA 0.251 4.721 4.470 -0.000 0.000 0.272 65 S C 0.898 175.487 174.600 -0.017 0.000 1.174 65 S CA 0.257 58.313 58.200 -0.241 0.000 1.004 65 S CB 0.584 63.649 63.200 -0.224 0.000 1.077 65 S HN 0.461 nan 8.310 nan 0.000 0.553 66 E N 0.253 120.415 120.200 -0.064 0.000 2.478 66 E HA 0.014 4.363 4.350 -0.000 0.000 0.194 66 E C 0.495 176.710 176.600 -0.642 0.000 1.045 66 E CA -0.019 56.267 56.400 -0.190 0.000 0.868 66 E CB -0.147 29.471 29.700 -0.137 0.000 0.885 66 E HN 0.747 nan 8.360 nan 0.000 0.505 67 R N 0.188 120.361 120.500 -0.544 0.000 2.836 67 R HA 0.617 4.957 4.340 -0.000 0.000 0.269 67 R C -3.059 173.045 176.300 -0.325 0.000 1.010 67 R CA -2.032 53.636 56.100 -0.721 0.000 0.930 67 R CB 1.473 31.545 30.300 -0.381 0.000 1.218 67 R HN -0.219 nan 8.270 nan 0.000 0.473 68 P HA 0.295 nan 4.420 nan 0.000 0.285 68 P C 0.149 177.423 177.300 -0.043 0.000 1.269 68 P CA 0.256 63.352 63.100 -0.006 0.000 0.844 68 P CB 1.695 33.352 31.700 -0.073 0.000 1.094 69 G N -0.132 108.670 108.800 0.003 0.000 2.352 69 G HA2 0.042 4.002 3.960 -0.000 0.000 0.204 69 G HA3 0.042 4.002 3.960 -0.000 0.000 0.204 69 G C 0.663 175.577 174.900 0.024 0.000 1.004 69 G CA 0.383 45.484 45.100 0.001 0.000 0.648 69 G HN 0.926 nan 8.290 nan 0.000 0.491 70 G N 0.459 109.290 108.800 0.051 0.000 2.565 70 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.295 70 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.295 70 G C 0.909 175.878 174.900 0.114 0.000 1.165 70 G CA 1.315 46.466 45.100 0.085 0.000 0.977 70 G HN 1.079 nan 8.290 nan 0.000 0.546 71 R N -0.083 120.410 120.500 -0.011 0.000 2.276 71 R HA 0.225 4.565 4.340 -0.000 0.000 0.203 71 R C 0.820 177.030 176.300 -0.151 0.000 1.017 71 R CA 0.608 56.544 56.100 -0.273 0.000 1.010 71 R CB -0.024 29.938 30.300 -0.564 0.000 0.900 71 R HN 0.267 nan 8.270 nan 0.000 0.469 72 V N 2.270 122.164 119.914 -0.033 0.000 2.352 72 V HA 0.158 4.278 4.120 -0.000 0.000 0.253 72 V C 0.118 176.256 176.094 0.073 0.000 1.083 72 V CA 0.059 62.364 62.300 0.009 0.000 0.993 72 V CB 0.239 32.059 31.823 -0.006 0.000 1.111 72 V HN 0.159 nan 8.190 nan 0.000 0.490 73 R N 2.994 123.580 120.500 0.144 0.000 2.604 73 R HA 0.622 4.961 4.340 -0.000 0.000 0.281 73 R C -1.099 175.281 176.300 0.133 0.000 1.020 73 R CA -0.365 55.833 56.100 0.163 0.000 0.899 73 R CB 2.163 32.651 30.300 0.312 0.000 1.205 73 R HN 0.598 nan 8.270 nan 0.000 0.450 74 T N 3.480 118.068 114.554 0.056 0.000 2.841 74 T HA 0.199 4.549 4.350 -0.000 0.000 0.285 74 T C -1.414 173.304 174.700 0.030 0.000 0.991 74 T CA -0.410 61.718 62.100 0.045 0.000 0.966 74 T CB 0.727 69.563 68.868 -0.054 0.000 0.962 74 T HN 0.437 nan 8.240 nan 0.000 0.438 75 Y N 3.584 123.842 120.300 -0.070 0.000 2.316 75 Y HA 0.529 5.079 4.550 -0.000 0.000 0.331 75 Y C 0.254 176.049 175.900 -0.175 0.000 1.083 75 Y CA -0.433 57.592 58.100 -0.125 0.000 1.206 75 Y CB 0.504 38.879 38.460 -0.142 0.000 1.195 75 Y HN 0.507 nan 8.280 nan 0.000 0.497 76 R N 4.603 124.688 120.500 -0.691 0.000 2.621 76 R HA 0.276 4.616 4.340 -0.000 0.000 0.292 76 R C -1.346 174.450 176.300 -0.840 0.000 0.969 76 R CA -0.844 54.905 56.100 -0.585 0.000 0.887 76 R CB 1.474 31.552 30.300 -0.370 0.000 1.180 76 R HN 0.747 nan 8.270 nan 0.000 0.450 77 N N 1.813 119.973 118.700 -0.900 0.000 2.696 77 N HA 0.023 4.763 4.740 -0.000 0.000 0.246 77 N C 0.680 175.882 175.510 -0.512 0.000 1.057 77 N CA -0.239 52.353 53.050 -0.763 0.000 0.867 77 N CB 0.869 38.740 38.487 -1.026 0.000 1.141 77 N HN 0.690 nan 8.380 nan 0.000 0.517 78 E N 1.759 121.764 120.200 -0.326 0.000 2.031 78 E HA -0.313 4.037 4.350 -0.000 0.000 0.193 78 E C 1.300 177.815 176.600 -0.141 0.000 0.994 78 E CA 1.170 57.448 56.400 -0.204 0.000 0.800 78 E CB -0.118 29.491 29.700 -0.151 0.000 0.752 78 E HN 0.619 nan 8.360 nan 0.000 0.447 79 E N 2.201 122.332 120.200 -0.115 0.000 2.070 79 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 79 E C 1.914 178.503 176.600 -0.019 0.000 1.004 79 E CA 2.081 58.450 56.400 -0.052 0.000 0.805 79 E CB -0.430 29.252 29.700 -0.031 0.000 0.744 79 E HN 0.334 nan 8.360 nan 0.000 0.451 80 A N -0.535 122.268 122.820 -0.028 0.000 2.208 80 A HA 0.372 4.692 4.320 -0.000 0.000 0.209 80 A C 1.681 179.340 177.584 0.126 0.000 1.161 80 A CA 0.779 52.885 52.037 0.115 0.000 0.782 80 A CB -0.688 18.491 19.000 0.298 0.000 0.816 80 A HN 0.754 nan 8.150 nan 0.000 0.477 81 G N -1.114 107.644 108.800 -0.070 0.000 2.256 81 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.272 81 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.272 81 G C -0.136 174.564 174.900 -0.332 0.000 1.076 81 G CA 0.353 45.391 45.100 -0.104 0.000 0.882 81 G HN 1.375 nan 8.290 nan 0.000 0.497 82 W N -1.349 119.623 121.300 -0.548 0.000 3.075 82 W HA 0.748 5.408 4.660 -0.000 0.000 0.334 82 W C -0.761 175.522 176.519 -0.394 0.000 1.243 82 W CA -1.662 55.039 57.345 -1.074 0.000 1.170 82 W CB 0.694 29.704 29.460 -0.750 0.000 1.452 82 W HN 0.570 nan 8.180 nan 0.000 0.572 83 Y N -0.343 119.984 120.300 0.046 0.000 2.644 83 Y HA 0.869 5.419 4.550 -0.000 0.000 0.338 83 Y C -1.507 174.687 175.900 0.490 0.000 1.119 83 Y CA -1.909 56.271 58.100 0.134 0.000 1.060 83 Y CB 1.200 39.690 38.460 0.051 0.000 1.294 83 Y HN 0.788 nan 8.280 nan 0.000 0.472 84 A N 1.744 124.871 122.820 0.512 0.000 2.381 84 A HA 0.526 4.846 4.320 -0.000 0.000 0.299 84 A C -1.710 175.965 177.584 0.151 0.000 1.049 84 A CA -1.051 51.089 52.037 0.173 0.000 0.715 84 A CB 0.562 19.264 19.000 -0.496 0.000 1.222 84 A HN 0.863 nan 8.150 nan 0.000 0.428 85 N N 2.178 121.065 118.700 0.312 0.000 2.405 85 N HA 0.281 5.020 4.740 -0.000 0.000 0.260 85 N C 0.884 176.554 175.510 0.265 0.000 1.152 85 N CA -0.318 52.887 53.050 0.259 0.000 0.948 85 N CB 0.760 39.419 38.487 0.287 0.000 1.111 85 N HN 0.653 nan 8.380 nan 0.000 0.485 86 L N 1.078 122.446 121.223 0.241 0.000 2.270 86 L HA 0.134 4.474 4.340 -0.000 0.000 0.210 86 L C 1.686 178.931 176.870 0.625 0.000 1.104 86 L CA 0.445 55.523 54.840 0.396 0.000 0.804 86 L CB -0.228 41.991 42.059 0.268 0.000 0.937 86 L HN 0.602 nan 8.230 nan 0.000 0.450 87 G N -0.401 108.662 108.800 0.439 0.000 2.887 87 G HA2 0.277 4.237 3.960 -0.000 0.000 0.210 87 G HA3 0.277 4.237 3.960 -0.000 0.000 0.210 87 G C -2.366 172.502 174.900 -0.053 0.000 1.964 87 G CA -0.203 44.978 45.100 0.135 0.000 0.738 87 G HN -0.020 nan 8.290 nan 0.000 0.790 88 P HA 0.174 nan 4.420 nan 0.000 0.267 88 P C 0.318 177.581 177.300 -0.061 0.000 1.200 88 P CA 0.746 63.786 63.100 -0.100 0.000 0.772 88 P CB 0.698 32.370 31.700 -0.047 0.000 0.855 89 M N 0.829 120.349 119.600 -0.134 0.000 2.151 89 M HA 0.260 4.740 4.480 -0.000 0.000 0.382 89 M C -0.199 175.914 176.300 -0.312 0.000 0.861 89 M CA -0.124 55.096 55.300 -0.133 0.000 1.088 89 M CB 0.970 33.473 32.600 -0.162 0.000 2.060 89 M HN 0.147 nan 8.290 nan 0.000 0.695 90 R N 1.055 121.388 120.500 -0.278 0.000 2.626 90 R HA 0.789 5.129 4.340 -0.000 0.000 0.274 90 R C -2.072 174.338 176.300 0.184 0.000 1.031 90 R CA -0.829 55.119 56.100 -0.253 0.000 0.898 90 R CB 1.696 31.518 30.300 -0.796 0.000 1.222 90 R HN 0.267 nan 8.270 nan 0.000 0.455 91 L N 2.428 123.787 121.223 0.226 0.000 2.376 91 L HA 0.538 4.878 4.340 -0.000 0.000 0.275 91 L C -2.343 174.477 176.870 -0.083 0.000 0.987 91 L CA -2.430 52.510 54.840 0.167 0.000 0.828 91 L CB 2.441 44.580 42.059 0.134 0.000 1.249 91 L HN 0.479 nan 8.230 nan 0.000 0.409 92 P HA 0.010 nan 4.420 nan 0.000 0.272 92 P C 0.295 177.245 177.300 -0.584 0.000 1.223 92 P CA -0.135 62.329 63.100 -1.060 0.000 0.784 92 P CB 1.163 31.987 31.700 -1.459 0.000 0.923 93 E N 2.337 122.233 120.200 -0.506 0.000 2.160 93 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 93 E C 1.512 177.986 176.600 -0.210 0.000 0.991 93 E CA 1.314 57.557 56.400 -0.262 0.000 0.810 93 E CB -0.020 29.553 29.700 -0.212 0.000 0.742 93 E HN 0.466 nan 8.360 nan 0.000 0.466 94 K N -0.549 119.669 120.400 -0.304 0.000 2.486 94 K HA -0.064 4.256 4.320 -0.000 0.000 0.194 94 K C 0.093 176.678 176.600 -0.026 0.000 1.033 94 K CA 0.672 56.845 56.287 -0.190 0.000 1.004 94 K CB -0.214 32.135 32.500 -0.252 0.000 0.798 94 K HN 0.244 nan 8.250 nan 0.000 0.495 95 H N 1.642 120.595 119.070 -0.195 0.000 3.092 95 H HA 0.202 4.758 4.556 -0.000 0.000 0.263 95 H C 0.513 175.859 175.328 0.030 0.000 1.611 95 H CA -0.561 55.437 56.048 -0.084 0.000 1.457 95 H CB 0.464 30.140 29.762 -0.143 0.000 1.731 95 H HN 0.194 nan 8.280 nan 0.000 0.532 96 R N 1.611 122.253 120.500 0.237 0.000 2.153 96 R HA -0.034 4.305 4.340 -0.000 0.000 0.218 96 R C 1.704 178.041 176.300 0.062 0.000 1.072 96 R CA 0.624 56.809 56.100 0.140 0.000 0.990 96 R CB 0.283 30.689 30.300 0.176 0.000 0.889 96 R HN 0.542 nan 8.270 nan 0.000 0.452 97 I N -0.113 120.498 120.570 0.068 0.000 2.163 97 I HA -0.252 3.918 4.170 -0.000 0.000 0.240 97 I C 2.424 178.601 176.117 0.099 0.000 1.081 97 I CA 1.046 62.339 61.300 -0.011 0.000 1.353 97 I CB -0.304 37.667 38.000 -0.049 0.000 1.054 97 I HN 0.007 nan 8.210 nan 0.000 0.407 98 V N 1.207 121.205 119.914 0.139 0.000 2.392 98 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 98 V C 2.573 178.753 176.094 0.145 0.000 1.059 98 V CA 1.952 64.360 62.300 0.180 0.000 1.051 98 V CB -0.497 31.418 31.823 0.154 0.000 0.658 98 V HN 0.349 nan 8.190 nan 0.000 0.455 99 R N -0.417 120.137 120.500 0.089 0.000 2.115 99 R HA -0.141 4.199 4.340 -0.000 0.000 0.226 99 R C 2.241 178.533 176.300 -0.014 0.000 1.100 99 R CA 1.407 57.535 56.100 0.047 0.000 0.980 99 R CB -0.255 30.066 30.300 0.034 0.000 0.875 99 R HN 0.582 nan 8.270 nan 0.000 0.445 100 E N 0.235 120.389 120.200 -0.077 0.000 2.051 100 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 100 E C 1.323 177.735 176.600 -0.313 0.000 0.991 100 E CA 1.581 57.850 56.400 -0.219 0.000 0.799 100 E CB -0.243 29.262 29.700 -0.325 0.000 0.748 100 E HN 0.317 nan 8.360 nan 0.000 0.449 101 Y N 0.165 120.380 120.300 -0.141 0.000 2.200 101 Y HA -0.056 4.494 4.550 -0.000 0.000 0.290 101 Y C 2.272 178.073 175.900 -0.165 0.000 1.137 101 Y CA 1.324 59.278 58.100 -0.243 0.000 1.163 101 Y CB -0.296 38.129 38.460 -0.059 0.000 0.988 101 Y HN 0.068 nan 8.280 nan 0.000 0.518 102 I N -0.497 120.154 120.570 0.136 0.000 2.208 102 I HA -0.364 3.806 4.170 -0.000 0.000 0.245 102 I C 2.639 178.785 176.117 0.048 0.000 1.097 102 I CA 1.521 62.905 61.300 0.139 0.000 1.363 102 I CB -0.290 37.778 38.000 0.113 0.000 1.051 102 I HN 0.084 nan 8.210 nan 0.000 0.413 103 R N 1.090 121.569 120.500 -0.035 0.000 2.073 103 R HA -0.214 4.125 4.340 -0.000 0.000 0.234 103 R C 2.384 178.615 176.300 -0.116 0.000 1.134 103 R CA 1.623 57.686 56.100 -0.062 0.000 0.952 103 R CB -0.181 30.068 30.300 -0.084 0.000 0.850 103 R HN 0.159 nan 8.270 nan 0.000 0.433 104 K N -0.544 119.696 120.400 -0.266 0.000 2.103 104 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 104 K C 0.890 177.278 176.600 -0.353 0.000 1.048 104 K CA 1.471 57.514 56.287 -0.407 0.000 0.930 104 K CB -0.027 32.050 32.500 -0.705 0.000 0.716 104 K HN 0.164 nan 8.250 nan 0.000 0.444 105 F N 0.830 120.803 119.950 0.038 0.000 2.732 105 F HA 0.111 4.637 4.527 -0.000 0.000 0.303 105 F C 0.313 176.131 175.800 0.030 0.000 1.110 105 F CA -0.084 57.939 58.000 0.039 0.000 1.355 105 F CB -0.201 38.819 39.000 0.034 0.000 1.081 105 F HN 0.114 nan 8.300 nan 0.000 0.565 106 D N 0.950 121.427 120.400 0.129 0.000 2.837 106 D HA -0.216 4.424 4.640 -0.000 0.000 0.230 106 D C -0.194 176.165 176.300 0.098 0.000 1.152 106 D CA 0.404 54.457 54.000 0.089 0.000 0.736 106 D CB -1.126 39.721 40.800 0.078 0.000 1.084 106 D HN 0.205 nan 8.370 nan 0.000 0.429 107 L N -0.185 121.109 121.223 0.119 0.000 2.439 107 L HA 0.460 4.800 4.340 -0.000 0.000 0.261 107 L C 1.454 178.372 176.870 0.080 0.000 1.153 107 L CA -0.461 54.440 54.840 0.101 0.000 0.808 107 L CB 0.882 43.014 42.059 0.123 0.000 1.126 107 L HN -0.071 nan 8.230 nan 0.000 0.460 108 R N 1.760 122.304 120.500 0.073 0.000 2.787 108 R HA 0.737 5.077 4.340 -0.000 0.000 0.271 108 R C -1.111 175.239 176.300 0.084 0.000 0.993 108 R CA -0.932 55.212 56.100 0.073 0.000 0.993 108 R CB 1.652 31.994 30.300 0.071 0.000 1.155 108 R HN 0.436 nan 8.270 nan 0.000 0.486 109 L N 1.021 122.297 121.223 0.088 0.000 2.333 109 L HA 0.474 4.814 4.340 -0.000 0.000 0.269 109 L C -0.593 176.351 176.870 0.122 0.000 1.010 109 L CA -1.007 53.897 54.840 0.106 0.000 0.818 109 L CB 1.985 44.101 42.059 0.095 0.000 1.306 109 L HN 0.585 nan 8.230 nan 0.000 0.430 110 N N 0.605 119.400 118.700 0.158 0.000 2.295 110 N HA 0.152 4.892 4.740 -0.000 0.000 0.293 110 N C -1.021 174.617 175.510 0.214 0.000 1.040 110 N CA -0.603 52.553 53.050 0.177 0.000 0.840 110 N CB 2.014 40.624 38.487 0.205 0.000 1.468 110 N HN 0.563 nan 8.380 nan 0.000 0.478 111 E N 2.688 123.001 120.200 0.189 0.000 2.415 111 E HA 0.057 4.407 4.350 -0.000 0.000 0.263 111 E C -1.139 175.616 176.600 0.258 0.000 0.995 111 E CA -0.036 56.493 56.400 0.216 0.000 0.915 111 E CB 0.391 30.188 29.700 0.163 0.000 0.951 111 E HN 0.435 nan 8.360 nan 0.000 0.449 112 F N 3.890 123.941 119.950 0.168 0.000 2.361 112 F HA 0.282 4.809 4.527 -0.000 0.000 0.364 112 F C -0.711 175.172 175.800 0.139 0.000 1.117 112 F CA -0.571 57.517 58.000 0.148 0.000 1.071 112 F CB 1.142 40.249 39.000 0.178 0.000 1.188 112 F HN 0.223 nan 8.300 nan 0.000 0.464 113 S N 5.906 121.542 115.700 -0.107 0.000 2.499 113 S HA 0.114 4.584 4.470 -0.000 0.000 0.275 113 S C 0.947 175.520 174.600 -0.044 0.000 1.257 113 S CA -0.653 57.535 58.200 -0.020 0.000 1.050 113 S CB 1.360 64.516 63.200 -0.074 0.000 0.937 113 S HN 0.687 nan 8.310 nan 0.000 0.490 114 Q N 1.708 121.574 119.800 0.110 0.000 2.230 114 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 114 Q C 0.447 176.455 176.000 0.013 0.000 0.963 114 Q CA 0.955 56.818 55.803 0.100 0.000 0.866 114 Q CB 0.123 28.914 28.738 0.088 0.000 0.931 114 Q HN 0.911 nan 8.270 nan 0.000 0.452 115 E N -0.249 119.949 120.200 -0.004 0.000 2.383 115 E HA 0.473 4.823 4.350 -0.000 0.000 0.275 115 E C -0.951 175.620 176.600 -0.047 0.000 0.918 115 E CA -0.838 55.540 56.400 -0.036 0.000 0.764 115 E CB 1.481 31.175 29.700 -0.011 0.000 1.252 115 E HN -0.224 nan 8.360 nan 0.000 0.449 116 N N 1.678 120.335 118.700 -0.073 0.000 2.480 116 N HA 0.126 4.866 4.740 -0.000 0.000 0.289 116 N C -0.706 174.740 175.510 -0.107 0.000 1.073 116 N CA -0.348 52.652 53.050 -0.083 0.000 0.885 116 N CB 1.840 40.266 38.487 -0.103 0.000 1.421 116 N HN 0.558 nan 8.380 nan 0.000 0.503 117 D N 2.067 122.415 120.400 -0.087 0.000 2.265 117 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 117 D C 0.786 176.976 176.300 -0.183 0.000 0.977 117 D CA 1.282 55.224 54.000 -0.097 0.000 0.871 117 D CB 0.192 40.953 40.800 -0.065 0.000 0.925 117 D HN 0.644 nan 8.370 nan 0.000 0.485 118 N N -0.225 118.343 118.700 -0.221 0.000 2.463 118 N HA 0.108 4.848 4.740 -0.000 0.000 0.181 118 N C 0.744 175.913 175.510 -0.568 0.000 1.078 118 N CA -0.056 52.791 53.050 -0.339 0.000 0.902 118 N CB 0.416 38.769 38.487 -0.223 0.000 0.970 118 N HN 0.050 nan 8.380 nan 0.000 0.451 119 A N 0.487 123.039 122.820 -0.446 0.000 2.260 119 A HA 0.408 4.728 4.320 -0.000 0.000 0.278 119 A C -0.884 176.343 177.584 -0.595 0.000 1.269 119 A CA -0.046 51.710 52.037 -0.469 0.000 0.824 119 A CB 0.182 19.087 19.000 -0.158 0.000 1.238 119 A HN 0.259 nan 8.150 nan 0.000 0.507 120 W N -2.629 118.616 121.300 -0.093 0.000 2.844 120 W HA 0.582 5.242 4.660 -0.000 0.000 0.340 120 W C -1.399 175.038 176.519 -0.137 0.000 1.093 120 W CA -0.194 57.114 57.345 -0.061 0.000 1.212 120 W CB 1.230 30.635 29.460 -0.090 0.000 1.422 120 W HN 0.535 nan 8.180 nan 0.000 0.515 121 Y N 1.963 122.453 120.300 0.316 0.000 2.330 121 Y HA 0.454 5.004 4.550 -0.000 0.000 0.336 121 Y C -0.536 175.532 175.900 0.280 0.000 1.036 121 Y CA -0.753 57.475 58.100 0.213 0.000 1.125 121 Y CB 1.071 39.612 38.460 0.136 0.000 1.194 121 Y HN 0.216 nan 8.280 nan 0.000 0.469 122 F N 5.683 125.727 119.950 0.158 0.000 2.646 122 F HA 0.566 5.092 4.527 -0.000 0.000 0.364 122 F C -1.708 174.113 175.800 0.035 0.000 1.137 122 F CA -0.866 57.169 58.000 0.059 0.000 1.085 122 F CB 0.281 39.263 39.000 -0.030 0.000 1.331 122 F HN 0.227 nan 8.300 nan 0.000 0.472 123 I N 5.591 125.998 120.570 -0.271 0.000 2.499 123 I HA 0.236 4.406 4.170 -0.000 0.000 0.288 123 I C -0.001 175.912 176.117 -0.341 0.000 1.048 123 I CA -0.951 60.234 61.300 -0.192 0.000 1.062 123 I CB 2.013 40.017 38.000 0.006 0.000 1.238 123 I HN 0.505 nan 8.210 nan 0.000 0.426 124 K N 4.534 124.746 120.400 -0.314 0.000 3.071 124 K HA -0.270 4.050 4.320 -0.000 0.000 0.262 124 K C 0.161 176.539 176.600 -0.371 0.000 0.977 124 K CA 0.963 57.071 56.287 -0.300 0.000 0.721 124 K CB -1.257 31.075 32.500 -0.281 0.000 1.293 124 K HN 0.830 nan 8.250 nan 0.000 0.475 125 N N -1.609 116.722 118.700 -0.614 0.000 2.778 125 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 125 N C -0.499 174.680 175.510 -0.553 0.000 1.069 125 N CA 1.363 53.998 53.050 -0.692 0.000 0.831 125 N CB -0.846 37.485 38.487 -0.260 0.000 1.142 125 N HN 0.440 nan 8.380 nan 0.000 0.573 126 I N 0.723 120.984 120.570 -0.514 0.000 2.315 126 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 126 I C 0.584 176.597 176.117 -0.174 0.000 1.006 126 I CA -0.441 60.710 61.300 -0.249 0.000 1.265 126 I CB 1.393 39.298 38.000 -0.160 0.000 1.387 126 I HN 0.082 nan 8.210 nan 0.000 0.475 127 R N 6.669 127.203 120.500 0.057 0.000 2.310 127 R HA 0.497 4.837 4.340 -0.000 0.000 0.324 127 R C -1.207 175.277 176.300 0.308 0.000 0.955 127 R CA -0.636 55.631 56.100 0.279 0.000 0.830 127 R CB 0.804 31.286 30.300 0.303 0.000 1.154 127 R HN 0.471 nan 8.270 nan 0.000 0.458 128 K N 3.127 123.790 120.400 0.439 0.000 2.502 128 K HA 0.316 4.636 4.320 -0.000 0.000 0.257 128 K C -0.878 176.010 176.600 0.480 0.000 0.938 128 K CA -1.025 55.509 56.287 0.412 0.000 0.819 128 K CB 1.952 34.581 32.500 0.215 0.000 1.333 128 K HN 0.446 nan 8.250 nan 0.000 0.434 129 K N 1.270 121.790 120.400 0.199 0.000 2.436 129 K HA 0.045 4.365 4.320 -0.000 0.000 0.275 129 K C 1.338 177.984 176.600 0.076 0.000 0.999 129 K CA 0.022 56.225 56.287 -0.139 0.000 0.980 129 K CB 0.696 33.036 32.500 -0.267 0.000 0.919 129 K HN 0.271 nan 8.250 nan 0.000 0.484 130 V N 2.867 122.802 119.914 0.035 0.000 2.324 130 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 130 V C 2.326 178.487 176.094 0.111 0.000 1.060 130 V CA 2.507 64.924 62.300 0.195 0.000 1.042 130 V CB -0.825 30.999 31.823 0.002 0.000 0.650 130 V HN 1.062 nan 8.190 nan 0.000 0.450 131 G N -0.798 107.999 108.800 -0.005 0.000 2.440 131 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 131 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 131 G C 1.456 176.359 174.900 0.006 0.000 1.154 131 G CA 1.008 46.102 45.100 -0.011 0.000 0.767 131 G HN 0.595 nan 8.290 nan 0.000 0.552 132 E N -0.247 119.959 120.200 0.010 0.000 2.072 132 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 132 E C 2.716 179.321 176.600 0.009 0.000 0.985 132 E CA 0.914 57.325 56.400 0.017 0.000 0.801 132 E CB -0.089 29.633 29.700 0.037 0.000 0.750 132 E HN 0.322 nan 8.360 nan 0.000 0.452 133 V N 1.430 121.349 119.914 0.008 0.000 2.453 133 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 133 V C 2.048 178.108 176.094 -0.057 0.000 1.048 133 V CA 1.519 63.769 62.300 -0.085 0.000 1.049 133 V CB -0.327 31.298 31.823 -0.329 0.000 0.672 133 V HN 0.167 nan 8.190 nan 0.000 0.457 134 K N 0.110 120.512 120.400 0.003 0.000 2.063 134 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 134 K C 2.253 178.852 176.600 -0.002 0.000 1.048 134 K CA 1.484 57.777 56.287 0.010 0.000 0.928 134 K CB -0.175 32.344 32.500 0.030 0.000 0.713 134 K HN 0.417 nan 8.250 nan 0.000 0.442 135 K N 0.053 120.453 120.400 -0.001 0.000 2.062 135 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 135 K C 0.383 176.980 176.600 -0.006 0.000 1.051 135 K CA 0.923 57.209 56.287 -0.002 0.000 0.941 135 K CB 0.112 32.612 32.500 0.001 0.000 0.719 135 K HN 0.027 nan 8.250 nan 0.000 0.440 136 D N -0.434 119.959 120.400 -0.012 0.000 2.363 136 D HA 0.166 4.806 4.640 -0.000 0.000 0.258 136 D C -2.314 173.968 176.300 -0.029 0.000 1.259 136 D CA -2.329 51.663 54.000 -0.014 0.000 0.921 136 D CB 1.448 42.244 40.800 -0.006 0.000 1.201 136 D HN -0.224 nan 8.370 nan 0.000 0.524 137 P HA -0.020 nan 4.420 nan 0.000 0.219 137 P C 1.384 178.672 177.300 -0.020 0.000 1.146 137 P CA 0.836 63.906 63.100 -0.050 0.000 0.808 137 P CB 0.318 31.996 31.700 -0.036 0.000 0.779 138 G N -0.664 108.133 108.800 -0.004 0.000 2.559 138 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 138 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 138 G C 1.271 176.172 174.900 0.000 0.000 1.126 138 G CA 0.065 45.172 45.100 0.012 0.000 0.778 138 G HN 0.142 nan 8.290 nan 0.000 0.543 139 L N 0.359 121.573 121.223 -0.014 0.000 2.189 139 L HA 0.024 4.364 4.340 -0.000 0.000 0.214 139 L C 2.543 179.392 176.870 -0.034 0.000 1.097 139 L CA 1.166 55.993 54.840 -0.020 0.000 0.764 139 L CB -0.540 41.508 42.059 -0.018 0.000 0.900 139 L HN 0.260 nan 8.230 nan 0.000 0.436 140 L N -1.109 120.099 121.223 -0.026 0.000 2.592 140 L HA 0.010 4.350 4.340 -0.000 0.000 0.227 140 L C 0.806 177.595 176.870 -0.136 0.000 1.127 140 L CA -0.044 54.767 54.840 -0.050 0.000 0.884 140 L CB -0.229 41.865 42.059 0.057 0.000 1.065 140 L HN 0.232 nan 8.230 nan 0.000 0.457 141 K N -0.684 119.679 120.400 -0.062 0.000 3.069 141 K HA -0.232 4.088 4.320 -0.000 0.000 0.267 141 K C -0.695 175.824 176.600 -0.135 0.000 1.082 141 K CA 0.517 56.748 56.287 -0.093 0.000 0.782 141 K CB -1.963 30.460 32.500 -0.128 0.000 1.230 141 K HN 0.189 nan 8.250 nan 0.000 0.488 142 Y N 1.467 121.745 120.300 -0.037 0.000 2.442 142 Y HA 0.106 4.656 4.550 -0.000 0.000 0.330 142 Y C -1.390 174.500 175.900 -0.017 0.000 1.129 142 Y CA -1.988 56.098 58.100 -0.023 0.000 1.365 142 Y CB 0.317 38.767 38.460 -0.017 0.000 1.233 142 Y HN 0.025 nan 8.280 nan 0.000 0.529 143 P HA 0.062 nan 4.420 nan 0.000 0.271 143 P C -0.717 176.628 177.300 0.074 0.000 1.380 143 P CA 0.076 63.215 63.100 0.065 0.000 0.992 143 P CB 0.023 31.744 31.700 0.037 0.000 1.230 144 V N 1.071 121.022 119.914 0.061 0.000 2.975 144 V HA 0.515 4.635 4.120 -0.000 0.000 0.318 144 V C 0.378 176.486 176.094 0.023 0.000 1.077 144 V CA -1.299 61.026 62.300 0.043 0.000 1.000 144 V CB 1.523 33.370 31.823 0.040 0.000 1.066 144 V HN 0.176 nan 8.190 nan 0.000 0.452 145 K N 2.282 122.690 120.400 0.014 0.000 2.319 145 K HA 0.246 4.566 4.320 -0.000 0.000 0.265 145 K C -1.806 174.798 176.600 0.007 0.000 1.000 145 K CA -0.935 55.356 56.287 0.007 0.000 0.943 145 K CB 0.413 32.913 32.500 0.000 0.000 0.950 145 K HN 0.481 nan 8.250 nan 0.000 0.485 146 P HA -0.218 nan 4.420 nan 0.000 0.216 146 P C 1.079 178.381 177.300 0.003 0.000 1.150 146 P CA 1.382 64.485 63.100 0.004 0.000 0.843 146 P CB 0.119 31.820 31.700 0.002 0.000 0.787 147 S N -1.031 114.670 115.700 0.002 0.000 2.515 147 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 147 S C 1.655 176.257 174.600 0.003 0.000 0.987 147 S CA 0.800 59.001 58.200 0.001 0.000 0.936 147 S CB -0.877 62.323 63.200 -0.002 0.000 0.766 147 S HN 0.252 nan 8.310 nan 0.000 0.528 148 E N 1.224 121.426 120.200 0.004 0.000 2.447 148 E HA 0.352 4.702 4.350 -0.000 0.000 0.195 148 E C 0.749 177.354 176.600 0.008 0.000 1.028 148 E CA 0.117 56.520 56.400 0.005 0.000 0.876 148 E CB 0.127 29.830 29.700 0.006 0.000 0.885 148 E HN 0.672 nan 8.360 nan 0.000 0.500 149 A N 0.576 123.401 122.820 0.008 0.000 2.540 149 A HA 0.331 4.651 4.320 -0.000 0.000 0.239 149 A C 1.362 178.949 177.584 0.006 0.000 1.061 149 A CA 0.831 52.873 52.037 0.009 0.000 0.758 149 A CB -0.309 18.695 19.000 0.008 0.000 0.991 149 A HN 0.353 nan 8.150 nan 0.000 0.502 150 G N 1.358 110.161 108.800 0.005 0.000 2.179 150 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 150 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 150 G C 0.208 175.108 174.900 0.000 0.000 0.977 150 G CA 0.886 45.987 45.100 0.002 0.000 0.641 150 G HN 0.878 nan 8.290 nan 0.000 0.533 151 K N 1.387 121.787 120.400 0.001 0.000 2.183 151 K HA 0.564 4.884 4.320 -0.000 0.000 0.274 151 K C 0.840 177.435 176.600 -0.009 0.000 1.009 151 K CA 0.133 56.420 56.287 0.001 0.000 0.888 151 K CB 1.486 33.989 32.500 0.006 0.000 1.078 151 K HN 0.385 nan 8.250 nan 0.000 0.459 152 S N 1.316 117.011 115.700 -0.008 0.000 2.600 152 S HA 0.190 4.660 4.470 -0.000 0.000 0.265 152 S C 1.367 175.958 174.600 -0.014 0.000 1.325 152 S CA -0.234 57.953 58.200 -0.020 0.000 1.002 152 S CB 1.416 64.610 63.200 -0.009 0.000 0.921 152 S HN 0.675 nan 8.310 nan 0.000 0.554 153 A N 2.080 124.878 122.820 -0.036 0.000 1.917 153 A HA 0.035 4.355 4.320 -0.000 0.000 0.219 153 A C 2.233 179.845 177.584 0.046 0.000 1.182 153 A CA 2.035 54.061 52.037 -0.019 0.000 0.633 153 A CB -1.931 17.040 19.000 -0.048 0.000 0.819 153 A HN 1.197 nan 8.150 nan 0.000 0.448 154 G N -1.071 107.748 108.800 0.033 0.000 2.446 154 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 154 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 154 G C 1.617 176.571 174.900 0.089 0.000 1.168 154 G CA 1.053 46.182 45.100 0.048 0.000 0.771 154 G HN 0.657 nan 8.290 nan 0.000 0.551 155 Q N -0.263 119.570 119.800 0.056 0.000 2.084 155 Q HA 0.032 4.372 4.340 -0.000 0.000 0.202 155 Q C 2.706 178.750 176.000 0.073 0.000 0.978 155 Q CA 0.900 56.736 55.803 0.055 0.000 0.844 155 Q CB -0.267 28.489 28.738 0.030 0.000 0.898 155 Q HN 0.446 nan 8.270 nan 0.000 0.426 156 L N -0.621 120.644 121.223 0.071 0.000 2.012 156 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 156 L C 2.391 179.328 176.870 0.110 0.000 1.073 156 L CA 1.458 56.339 54.840 0.068 0.000 0.748 156 L CB -0.573 41.515 42.059 0.047 0.000 0.891 156 L HN 0.263 nan 8.230 nan 0.000 0.431 157 Y N 0.817 121.145 120.300 0.047 0.000 2.145 157 Y HA -0.329 4.221 4.550 -0.000 0.000 0.286 157 Y C 2.718 178.676 175.900 0.097 0.000 1.145 157 Y CA 2.136 60.289 58.100 0.088 0.000 1.148 157 Y CB -0.107 38.405 38.460 0.087 0.000 0.981 157 Y HN 0.201 nan 8.280 nan 0.000 0.507 158 E N 0.064 120.405 120.200 0.235 0.000 2.058 158 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 158 E C 1.975 178.608 176.600 0.055 0.000 0.997 158 E CA 1.814 58.305 56.400 0.152 0.000 0.801 158 E CB -0.172 29.606 29.700 0.130 0.000 0.746 158 E HN 0.662 nan 8.360 nan 0.000 0.450 159 E N -0.022 120.204 120.200 0.044 0.000 2.150 159 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 159 E C 2.157 178.757 176.600 0.000 0.000 0.985 159 E CA 1.091 57.504 56.400 0.022 0.000 0.814 159 E CB -0.039 29.674 29.700 0.020 0.000 0.752 159 E HN 0.297 nan 8.360 nan 0.000 0.466 160 S N 0.813 116.498 115.700 -0.026 0.000 2.469 160 S HA -0.068 4.402 4.470 -0.000 0.000 0.238 160 S C 1.855 176.487 174.600 0.054 0.000 0.998 160 S CA 0.519 58.702 58.200 -0.029 0.000 0.957 160 S CB -0.300 62.864 63.200 -0.061 0.000 0.764 160 S HN 0.209 nan 8.310 nan 0.000 0.514 161 L N 1.187 122.410 121.223 0.000 0.000 2.610 161 L HA 0.166 4.506 4.340 -0.000 0.000 0.232 161 L C 2.668 179.562 176.870 0.039 0.000 1.149 161 L CA 0.388 55.236 54.840 0.013 0.000 0.872 161 L CB -1.108 40.928 42.059 -0.039 0.000 0.992 161 L HN 0.512 nan 8.230 nan 0.000 0.447 162 G N 0.938 109.762 108.800 0.040 0.000 2.469 162 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.219 162 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.219 162 G C 1.668 176.593 174.900 0.041 0.000 1.150 162 G CA 0.994 46.112 45.100 0.031 0.000 0.763 162 G HN 0.228 nan 8.290 nan 0.000 0.561 163 K N 0.400 120.838 120.400 0.064 0.000 2.026 163 K HA -0.031 4.289 4.320 -0.000 0.000 0.208 163 K C 2.561 179.220 176.600 0.099 0.000 1.048 163 K CA 1.454 57.791 56.287 0.083 0.000 0.929 163 K CB -0.744 31.798 32.500 0.070 0.000 0.713 163 K HN 0.193 nan 8.250 nan 0.000 0.439 164 V N 0.080 120.003 119.914 0.016 0.000 2.343 164 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 164 V C 2.337 178.437 176.094 0.011 0.000 1.051 164 V CA 1.772 64.013 62.300 -0.099 0.000 1.036 164 V CB -0.503 31.115 31.823 -0.341 0.000 0.654 164 V HN 0.132 nan 8.190 nan 0.000 0.451 165 V N -0.077 119.837 119.914 0.001 0.000 2.343 165 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 165 V C 2.587 178.693 176.094 0.020 0.000 1.051 165 V CA 2.328 64.632 62.300 0.005 0.000 1.036 165 V CB -0.581 31.247 31.823 0.008 0.000 0.654 165 V HN 0.570 nan 8.190 nan 0.000 0.451 166 E N 0.111 120.331 120.200 0.035 0.000 2.077 166 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 166 E C 2.250 178.879 176.600 0.048 0.000 0.989 166 E CA 1.204 57.625 56.400 0.035 0.000 0.800 166 E CB -0.195 29.527 29.700 0.037 0.000 0.746 166 E HN 0.511 nan 8.360 nan 0.000 0.452 167 E N 0.037 120.298 120.200 0.102 0.000 2.110 167 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 167 E C 2.102 178.754 176.600 0.087 0.000 0.988 167 E CA 0.723 57.205 56.400 0.137 0.000 0.804 167 E CB -0.378 29.515 29.700 0.321 0.000 0.745 167 E HN 0.251 nan 8.360 nan 0.000 0.458 168 L N 1.773 123.041 121.223 0.076 0.000 1.994 168 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 168 L C 2.031 178.893 176.870 -0.013 0.000 1.071 168 L CA 1.931 56.786 54.840 0.025 0.000 0.745 168 L CB -0.441 41.611 42.059 -0.011 0.000 0.892 168 L HN -0.083 nan 8.230 nan 0.000 0.431 169 K N -0.750 119.642 120.400 -0.013 0.000 2.074 169 K HA -0.257 4.062 4.320 -0.000 0.000 0.209 169 K C 2.341 178.917 176.600 -0.039 0.000 1.048 169 K CA 2.001 58.273 56.287 -0.025 0.000 0.926 169 K CB -0.300 32.191 32.500 -0.016 0.000 0.713 169 K HN 0.323 nan 8.250 nan 0.000 0.444 170 R N 0.517 120.990 120.500 -0.045 0.000 2.115 170 R HA -0.108 4.232 4.340 -0.000 0.000 0.230 170 R C 1.619 177.839 176.300 -0.134 0.000 1.111 170 R CA 1.890 57.943 56.100 -0.079 0.000 0.976 170 R CB 0.092 30.346 30.300 -0.076 0.000 0.870 170 R HN 0.399 nan 8.270 nan 0.000 0.445 171 T N -2.635 111.832 114.554 -0.145 0.000 1.812 171 T HA 0.298 4.648 4.350 -0.000 0.000 0.173 171 T C -0.460 174.188 174.700 -0.086 0.000 0.710 171 T CA -0.161 61.817 62.100 -0.203 0.000 1.065 171 T CB 0.174 68.743 68.868 -0.497 0.000 3.214 171 T HN 0.398 nan 8.240 nan 0.000 0.403 172 N N -1.797 116.890 118.700 -0.023 0.000 3.261 172 N HA 0.338 5.078 4.740 -0.000 0.000 0.248 172 N C 0.370 175.890 175.510 0.018 0.000 1.498 172 N CA -0.316 52.730 53.050 -0.006 0.000 0.884 172 N CB 0.452 38.936 38.487 -0.006 0.000 1.428 172 N HN 0.468 nan 8.380 nan 0.000 0.517 173 c N -0.184 118.395 118.600 -0.035 0.000 2.413 173 c HA -0.118 4.451 4.570 -0.000 0.000 0.276 173 c C 2.845 176.907 174.090 -0.047 0.000 1.236 173 c CA 1.898 58.176 56.329 -0.085 0.000 1.735 173 c CB -1.550 40.870 42.510 -0.149 0.000 2.031 173 c HN 0.866 nan 8.230 nan 0.000 0.474 174 S N -0.421 115.274 115.700 -0.009 0.000 2.382 174 S HA -0.252 4.218 4.470 -0.000 0.000 0.228 174 S C 1.765 176.386 174.600 0.035 0.000 1.027 174 S CA 1.649 59.852 58.200 0.005 0.000 0.991 174 S CB -1.004 62.207 63.200 0.018 0.000 0.823 174 S HN 0.712 nan 8.310 nan 0.000 0.469 175 Y N 3.297 123.576 120.300 -0.036 0.000 2.145 175 Y HA -0.100 4.450 4.550 -0.000 0.000 0.286 175 Y C 2.165 178.041 175.900 -0.040 0.000 1.145 175 Y CA 1.892 59.973 58.100 -0.032 0.000 1.148 175 Y CB -0.411 38.035 38.460 -0.023 0.000 0.981 175 Y HN 0.430 nan 8.280 nan 0.000 0.507 176 I N -2.619 118.062 120.570 0.184 0.000 2.353 176 I HA -0.152 4.018 4.170 -0.000 0.000 0.248 176 I C 1.809 177.966 176.117 0.067 0.000 1.119 176 I CA 1.039 62.437 61.300 0.163 0.000 1.417 176 I CB -0.672 37.494 38.000 0.277 0.000 1.078 176 I HN 0.132 nan 8.210 nan 0.000 0.421 177 L N 1.840 123.051 121.223 -0.019 0.000 2.012 177 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 177 L C 2.399 179.223 176.870 -0.077 0.000 1.073 177 L CA 1.694 56.495 54.840 -0.065 0.000 0.748 177 L CB -1.683 40.310 42.059 -0.111 0.000 0.891 177 L HN 0.376 nan 8.230 nan 0.000 0.431 178 N N -0.347 118.281 118.700 -0.119 0.000 2.106 178 N HA -0.205 4.535 4.740 -0.000 0.000 0.188 178 N C 1.864 177.227 175.510 -0.245 0.000 1.029 178 N CA 1.242 54.194 53.050 -0.164 0.000 0.848 178 N CB -0.190 38.191 38.487 -0.177 0.000 1.007 178 N HN 0.365 nan 8.380 nan 0.000 0.423 179 K N -0.113 120.062 120.400 -0.375 0.000 2.026 179 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 179 K C 1.343 177.741 176.600 -0.335 0.000 1.048 179 K CA 1.264 57.268 56.287 -0.472 0.000 0.929 179 K CB -0.159 31.897 32.500 -0.740 0.000 0.713 179 K HN 0.138 nan 8.250 nan 0.000 0.439 180 Y N 0.622 120.949 120.300 0.044 0.000 2.544 180 Y HA -0.004 4.546 4.550 -0.000 0.000 0.286 180 Y C 1.522 177.528 175.900 0.176 0.000 1.141 180 Y CA 0.775 58.969 58.100 0.156 0.000 1.299 180 Y CB -0.157 38.366 38.460 0.104 0.000 1.030 180 Y HN 0.287 nan 8.280 nan 0.000 0.543 181 D N -0.390 120.078 120.400 0.113 0.000 2.350 181 D HA -0.126 4.514 4.640 -0.000 0.000 0.216 181 D C 1.958 178.154 176.300 -0.173 0.000 0.968 181 D CA 1.487 55.524 54.000 0.062 0.000 0.894 181 D CB -0.002 40.825 40.800 0.046 0.000 0.909 181 D HN 0.311 nan 8.370 nan 0.000 0.520 182 T N -2.988 111.400 114.554 -0.277 0.000 3.100 182 T HA 0.040 4.389 4.350 -0.000 0.000 0.253 182 T C 0.304 174.874 174.700 -0.218 0.000 1.118 182 T CA -0.122 61.594 62.100 -0.639 0.000 1.058 182 T CB -0.364 68.120 68.868 -0.639 0.000 0.953 182 T HN -0.048 nan 8.240 nan 0.000 0.515 183 Y N 2.493 122.801 120.300 0.013 0.000 2.420 183 Y HA 0.559 5.109 4.550 -0.000 0.000 0.334 183 Y C 0.921 176.936 175.900 0.191 0.000 1.094 183 Y CA -1.288 56.897 58.100 0.142 0.000 1.126 183 Y CB 1.651 40.274 38.460 0.271 0.000 1.217 183 Y HN 0.195 nan 8.280 nan 0.000 0.462 184 S N -0.545 115.339 115.700 0.308 0.000 2.617 184 S HA 0.163 4.633 4.470 -0.000 0.000 0.269 184 S C 0.895 175.679 174.600 0.307 0.000 1.292 184 S CA -0.367 58.012 58.200 0.297 0.000 1.010 184 S CB 1.271 64.614 63.200 0.238 0.000 0.944 184 S HN 0.725 nan 8.310 nan 0.000 0.536 185 T N 1.352 116.117 114.554 0.352 0.000 2.665 185 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 185 T C 1.703 176.476 174.700 0.121 0.000 1.035 185 T CA 1.882 64.199 62.100 0.362 0.000 1.151 185 T CB -0.433 68.781 68.868 0.577 0.000 0.862 185 T HN 0.756 nan 8.240 nan 0.000 0.438 186 K N 0.810 121.225 120.400 0.024 0.000 2.057 186 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 186 K C 2.404 178.904 176.600 -0.167 0.000 1.050 186 K CA 1.438 57.505 56.287 -0.366 0.000 0.935 186 K CB -0.096 32.089 32.500 -0.526 0.000 0.715 186 K HN 0.410 nan 8.250 nan 0.000 0.439 187 E N -0.434 119.757 120.200 -0.014 0.000 2.058 187 E HA -0.265 4.084 4.350 -0.000 0.000 0.194 187 E C 1.922 178.565 176.600 0.071 0.000 0.997 187 E CA 1.480 57.914 56.400 0.056 0.000 0.801 187 E CB -0.259 29.524 29.700 0.139 0.000 0.746 187 E HN 0.430 nan 8.360 nan 0.000 0.450 188 Y N 1.143 121.394 120.300 -0.082 0.000 2.097 188 Y HA -0.224 4.326 4.550 -0.000 0.000 0.282 188 Y C 2.027 177.696 175.900 -0.385 0.000 1.152 188 Y CA 1.850 59.710 58.100 -0.400 0.000 1.136 188 Y CB -0.295 37.438 38.460 -1.212 0.000 0.975 188 Y HN 0.025 nan 8.280 nan 0.000 0.498 189 L N -0.375 120.673 121.223 -0.292 0.000 2.079 189 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 189 L C 2.349 179.048 176.870 -0.286 0.000 1.081 189 L CA 1.550 56.236 54.840 -0.256 0.000 0.752 189 L CB -0.516 41.487 42.059 -0.094 0.000 0.896 189 L HN 0.329 nan 8.230 nan 0.000 0.433 190 I N -0.681 119.751 120.570 -0.231 0.000 2.296 190 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 190 I C 2.489 178.502 176.117 -0.174 0.000 1.087 190 I CA 1.133 62.331 61.300 -0.169 0.000 1.393 190 I CB -0.191 37.737 38.000 -0.121 0.000 1.093 190 I HN 0.124 nan 8.210 nan 0.000 0.421 191 K N 0.376 120.676 120.400 -0.166 0.000 2.103 191 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 191 K C 1.721 178.198 176.600 -0.205 0.000 1.052 191 K CA 1.046 57.266 56.287 -0.112 0.000 0.945 191 K CB 0.107 32.625 32.500 0.029 0.000 0.722 191 K HN 0.292 nan 8.250 nan 0.000 0.443 192 E N -0.944 118.976 120.200 -0.468 0.000 2.399 192 E HA 0.036 4.386 4.350 -0.000 0.000 0.205 192 E C 1.863 178.086 176.600 -0.628 0.000 0.906 192 E CA 0.293 56.339 56.400 -0.589 0.000 0.998 192 E CB 0.721 29.890 29.700 -0.886 0.000 1.002 192 E HN 0.313 nan 8.360 nan 0.000 0.501 193 G N 2.182 110.554 108.800 -0.713 0.000 2.650 193 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.214 193 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.214 193 G C 0.749 175.523 174.900 -0.211 0.000 1.136 193 G CA 0.872 45.719 45.100 -0.422 0.000 0.789 193 G HN 0.278 nan 8.290 nan 0.000 0.536 194 D N -1.321 118.961 120.400 -0.197 0.000 2.837 194 D HA -0.224 4.416 4.640 -0.000 0.000 0.195 194 D C 0.540 176.788 176.300 -0.087 0.000 1.033 194 D CA 0.659 54.589 54.000 -0.117 0.000 1.021 194 D CB -1.837 38.912 40.800 -0.085 0.000 1.101 194 D HN 0.367 nan 8.370 nan 0.000 0.431 195 L N 1.774 122.940 121.223 -0.095 0.000 2.490 195 L HA 0.185 4.525 4.340 -0.000 0.000 0.274 195 L C 1.576 178.419 176.870 -0.045 0.000 1.201 195 L CA 0.427 55.233 54.840 -0.058 0.000 0.869 195 L CB 0.676 42.706 42.059 -0.048 0.000 1.123 195 L HN 0.326 nan 8.230 nan 0.000 0.484 196 S N 2.560 118.246 115.700 -0.023 0.000 2.576 196 S HA 0.150 4.620 4.470 -0.000 0.000 0.272 196 S C -1.757 172.841 174.600 -0.003 0.000 1.352 196 S CA -1.056 57.138 58.200 -0.010 0.000 1.021 196 S CB 0.761 63.964 63.200 0.004 0.000 0.887 196 S HN 0.449 nan 8.310 nan 0.000 0.542 197 P HA 0.026 nan 4.420 nan 0.000 0.218 197 P C 1.670 179.003 177.300 0.055 0.000 1.148 197 P CA 1.559 64.669 63.100 0.017 0.000 0.822 197 P CB -0.461 31.249 31.700 0.017 0.000 0.784 198 G N 0.051 108.894 108.800 0.071 0.000 2.408 198 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 198 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 198 G C 1.649 176.606 174.900 0.096 0.000 1.150 198 G CA 0.845 46.026 45.100 0.135 0.000 0.776 198 G HN 0.320 nan 8.290 nan 0.000 0.542 199 A N 0.227 123.069 122.820 0.036 0.000 1.898 199 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 199 A C 2.596 180.181 177.584 0.001 0.000 1.181 199 A CA 1.738 53.770 52.037 -0.010 0.000 0.620 199 A CB -0.589 18.411 19.000 0.000 0.000 0.819 199 A HN 0.242 nan 8.150 nan 0.000 0.442 200 V N 0.809 120.744 119.914 0.034 0.000 2.287 200 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 200 V C 2.193 178.385 176.094 0.163 0.000 1.053 200 V CA 2.331 64.678 62.300 0.079 0.000 1.027 200 V CB -0.912 30.901 31.823 -0.017 0.000 0.646 200 V HN 0.490 nan 8.190 nan 0.000 0.447 201 D N -0.535 119.945 120.400 0.133 0.000 2.133 201 D HA -0.237 4.403 4.640 -0.000 0.000 0.195 201 D C 2.051 178.352 176.300 0.001 0.000 0.997 201 D CA 1.690 55.801 54.000 0.185 0.000 0.840 201 D CB -0.311 40.664 40.800 0.291 0.000 0.947 201 D HN 0.385 nan 8.370 nan 0.000 0.452 202 M N -0.008 119.366 119.600 -0.377 0.000 2.086 202 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 202 M C 2.096 178.216 176.300 -0.299 0.000 1.067 202 M CA 1.284 56.059 55.300 -0.875 0.000 1.116 202 M CB -0.011 32.056 32.600 -0.889 0.000 1.348 202 M HN -0.045 nan 8.290 nan 0.000 0.407 203 I N -0.298 120.226 120.570 -0.078 0.000 2.252 203 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 203 I C 2.489 178.629 176.117 0.037 0.000 1.102 203 I CA 1.383 62.713 61.300 0.050 0.000 1.385 203 I CB -0.866 37.263 38.000 0.214 0.000 1.064 203 I HN 0.445 nan 8.210 nan 0.000 0.414 204 G N 0.335 109.189 108.800 0.090 0.000 2.418 204 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 204 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 204 G C 1.238 176.105 174.900 -0.055 0.000 1.158 204 G CA 0.937 45.957 45.100 -0.134 0.000 0.771 204 G HN 0.275 nan 8.290 nan 0.000 0.545 205 D N 0.425 120.843 120.400 0.029 0.000 2.097 205 D HA -0.024 4.616 4.640 -0.000 0.000 0.197 205 D C 2.619 178.985 176.300 0.111 0.000 0.984 205 D CA 0.653 54.696 54.000 0.071 0.000 0.826 205 D CB -0.226 40.669 40.800 0.158 0.000 0.973 205 D HN 0.319 nan 8.370 nan 0.000 0.460 206 L N -0.295 120.984 121.223 0.093 0.000 2.354 206 L HA 0.144 4.484 4.340 -0.000 0.000 0.212 206 L C 1.665 178.639 176.870 0.173 0.000 1.091 206 L CA 0.334 55.289 54.840 0.192 0.000 0.828 206 L CB 0.091 42.241 42.059 0.152 0.000 0.973 206 L HN -0.050 nan 8.230 nan 0.000 0.461 207 L N -0.523 120.724 121.223 0.039 0.000 2.769 207 L HA 0.176 4.516 4.340 -0.000 0.000 0.240 207 L C 0.469 177.226 176.870 -0.188 0.000 1.163 207 L CA -0.026 54.756 54.840 -0.097 0.000 0.962 207 L CB -0.368 41.600 42.059 -0.152 0.000 1.258 207 L HN 0.395 nan 8.230 nan 0.000 0.513 208 N N 1.147 119.820 118.700 -0.046 0.000 2.735 208 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 208 N C 0.828 176.206 175.510 -0.220 0.000 1.083 208 N CA 0.270 53.251 53.050 -0.114 0.000 0.703 208 N CB -0.010 38.165 38.487 -0.520 0.000 1.005 208 N HN 0.376 nan 8.380 nan 0.000 0.550 209 E N -0.044 120.000 120.200 -0.260 0.000 2.400 209 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 209 E C 1.154 177.319 176.600 -0.725 0.000 1.012 209 E CA 0.419 56.571 56.400 -0.413 0.000 0.875 209 E CB 0.000 29.488 29.700 -0.354 0.000 0.859 209 E HN 0.542 nan 8.360 nan 0.000 0.498 210 D N 0.829 120.889 120.400 -0.567 0.000 2.092 210 D HA -0.119 4.521 4.640 -0.000 0.000 0.193 210 D C 1.619 177.814 176.300 -0.174 0.000 0.994 210 D CA 1.469 55.193 54.000 -0.460 0.000 0.828 210 D CB 0.139 40.870 40.800 -0.114 0.000 0.963 210 D HN -0.113 nan 8.370 nan 0.000 0.450 211 S N -1.236 114.418 115.700 -0.076 0.000 2.603 211 S HA 0.094 4.564 4.470 -0.000 0.000 0.229 211 S C 1.464 176.080 174.600 0.027 0.000 0.972 211 S CA 0.683 58.914 58.200 0.052 0.000 0.935 211 S CB 0.409 63.646 63.200 0.062 0.000 0.769 211 S HN 0.425 nan 8.310 nan 0.000 0.536 212 G N -1.051 107.688 108.800 -0.103 0.000 3.651 212 G HA2 0.152 4.112 3.960 -0.000 0.000 0.279 212 G HA3 0.152 4.112 3.960 -0.000 0.000 0.279 212 G C 0.442 175.292 174.900 -0.084 0.000 1.024 212 G CA -0.239 44.759 45.100 -0.170 0.000 0.813 212 G HN 0.342 nan 8.290 nan 0.000 0.518 213 Y N 0.722 121.022 120.300 0.000 0.000 2.497 213 Y HA -0.063 4.487 4.550 -0.000 0.000 0.292 213 Y C 2.153 178.120 175.900 0.112 0.000 1.137 213 Y CA -0.040 58.115 58.100 0.092 0.000 1.285 213 Y CB -0.143 38.403 38.460 0.144 0.000 0.991 213 Y HN 0.613 nan 8.280 nan 0.000 0.556 214 Y N -1.473 119.000 120.300 0.289 0.000 2.462 214 Y HA 0.370 4.920 4.550 -0.000 0.000 0.261 214 Y C 0.749 176.758 175.900 0.183 0.000 1.146 214 Y CA -0.900 57.317 58.100 0.196 0.000 1.283 214 Y CB -1.144 37.397 38.460 0.135 0.000 1.090 214 Y HN -0.171 nan 8.280 nan 0.000 0.526 215 V N -0.784 118.981 119.914 -0.248 0.000 3.214 215 V HA 0.360 4.480 4.120 -0.000 0.000 0.306 215 V C 0.781 176.989 176.094 0.191 0.000 1.078 215 V CA -0.843 61.426 62.300 -0.050 0.000 1.077 215 V CB 1.093 32.847 31.823 -0.115 0.000 1.121 215 V HN 0.308 nan 8.190 nan 0.000 0.468 216 S N 0.956 116.818 115.700 0.269 0.000 2.563 216 S HA -0.009 4.461 4.470 -0.000 0.000 0.294 216 S C 0.508 175.338 174.600 0.383 0.000 1.279 216 S CA 0.025 58.436 58.200 0.352 0.000 1.069 216 S CB -0.551 62.937 63.200 0.479 0.000 0.828 216 S HN 0.895 nan 8.310 nan 0.000 0.497 217 F N 6.331 126.412 119.950 0.219 0.000 2.269 217 F HA -0.053 4.474 4.527 -0.000 0.000 0.301 217 F C 1.560 177.413 175.800 0.088 0.000 1.082 217 F CA 0.950 59.043 58.000 0.155 0.000 1.360 217 F CB -0.332 38.745 39.000 0.129 0.000 1.041 217 F HN 0.657 nan 8.300 nan 0.000 0.512 218 I N 0.441 121.016 120.570 0.008 0.000 2.248 218 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 218 I C 2.302 178.293 176.117 -0.209 0.000 1.107 218 I CA 1.200 62.370 61.300 -0.216 0.000 1.373 218 I CB -1.415 36.355 38.000 -0.383 0.000 1.055 218 I HN 0.191 nan 8.210 nan 0.000 0.418 219 E N 0.348 120.600 120.200 0.086 0.000 2.058 219 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 219 E C 2.331 178.910 176.600 -0.035 0.000 0.997 219 E CA 1.591 58.032 56.400 0.069 0.000 0.801 219 E CB -0.332 29.501 29.700 0.221 0.000 0.746 219 E HN 0.403 nan 8.360 nan 0.000 0.450 220 S N 0.450 116.163 115.700 0.022 0.000 2.368 220 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 220 S C 2.139 176.677 174.600 -0.104 0.000 1.030 220 S CA 0.722 58.964 58.200 0.070 0.000 0.999 220 S CB -0.153 63.232 63.200 0.307 0.000 0.844 220 S HN 0.158 nan 8.310 nan 0.000 0.459 221 L N 0.592 121.556 121.223 -0.432 0.000 2.093 221 L HA -0.057 4.282 4.340 -0.000 0.000 0.208 221 L C 2.659 179.063 176.870 -0.777 0.000 1.085 221 L CA 1.310 55.824 54.840 -0.543 0.000 0.755 221 L CB -0.383 41.310 42.059 -0.611 0.000 0.904 221 L HN 0.280 nan 8.230 nan 0.000 0.435 222 K N -1.177 118.733 120.400 -0.817 0.000 2.097 222 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 222 K C 2.126 178.491 176.600 -0.391 0.000 1.050 222 K CA 0.886 56.667 56.287 -0.843 0.000 0.938 222 K CB -0.077 32.043 32.500 -0.634 0.000 0.718 222 K HN 0.326 nan 8.250 nan 0.000 0.442 223 H N 0.287 119.317 119.070 -0.067 0.000 2.436 223 H HA -0.077 4.479 4.556 -0.000 0.000 0.294 223 H C 1.669 177.107 175.328 0.185 0.000 1.048 223 H CA 1.330 57.497 56.048 0.198 0.000 1.353 223 H CB -0.115 29.814 29.762 0.278 0.000 1.414 223 H HN 0.313 nan 8.280 nan 0.000 0.536 224 D N 0.733 121.216 120.400 0.138 0.000 2.123 224 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 224 D C 1.875 178.296 176.300 0.201 0.000 0.992 224 D CA 1.489 55.570 54.000 0.136 0.000 0.833 224 D CB -0.094 40.814 40.800 0.179 0.000 0.954 224 D HN 0.238 nan 8.370 nan 0.000 0.455 225 D N -1.146 119.266 120.400 0.020 0.000 2.182 225 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 225 D C 1.897 178.218 176.300 0.035 0.000 0.986 225 D CA 1.059 55.063 54.000 0.007 0.000 0.847 225 D CB -0.017 40.634 40.800 -0.249 0.000 0.942 225 D HN 0.396 nan 8.370 nan 0.000 0.467 226 I N -1.164 119.368 120.570 -0.063 0.000 2.368 226 I HA -0.081 4.089 4.170 -0.000 0.000 0.238 226 I C 1.654 177.716 176.117 -0.091 0.000 1.076 226 I CA 0.433 61.583 61.300 -0.249 0.000 1.397 226 I CB -0.276 37.370 38.000 -0.590 0.000 1.141 226 I HN -0.052 nan 8.210 nan 0.000 0.430 227 F N 0.874 120.931 119.950 0.178 0.000 2.293 227 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 227 F C 2.447 178.280 175.800 0.056 0.000 1.086 227 F CA 1.027 59.133 58.000 0.177 0.000 1.375 227 F CB -0.471 38.576 39.000 0.079 0.000 1.045 227 F HN 0.011 nan 8.300 nan 0.000 0.516 228 A N -1.865 121.027 122.820 0.120 0.000 2.169 228 A HA -0.024 4.296 4.320 -0.000 0.000 0.212 228 A C 1.129 178.419 177.584 -0.490 0.000 1.153 228 A CA 1.000 52.911 52.037 -0.210 0.000 0.756 228 A CB -0.640 18.151 19.000 -0.348 0.000 0.813 228 A HN 0.503 nan 8.150 nan 0.000 0.471 229 Y N -1.697 118.626 120.300 0.039 0.000 2.441 229 Y HA 0.260 4.809 4.550 -0.000 0.000 0.266 229 Y C 0.525 176.393 175.900 -0.053 0.000 1.093 229 Y CA -0.394 57.700 58.100 -0.011 0.000 1.246 229 Y CB 0.586 39.022 38.460 -0.041 0.000 1.262 229 Y HN 0.210 nan 8.280 nan 0.000 0.518 230 E N 1.648 121.868 120.200 0.034 0.000 2.194 230 E HA 0.177 4.527 4.350 -0.000 0.000 0.284 230 E C 0.278 176.877 176.600 -0.002 0.000 1.035 230 E CA 0.133 56.452 56.400 -0.135 0.000 0.836 230 E CB 0.906 30.296 29.700 -0.517 0.000 1.070 230 E HN 0.141 nan 8.360 nan 0.000 0.401 231 K N 2.821 123.208 120.400 -0.022 0.000 2.361 231 K HA 0.098 4.418 4.320 -0.000 0.000 0.196 231 K C 0.171 176.822 176.600 0.086 0.000 1.039 231 K CA 0.172 56.493 56.287 0.056 0.000 1.001 231 K CB 0.365 32.885 32.500 0.034 0.000 0.795 231 K HN 0.131 nan 8.250 nan 0.000 0.495 232 R N 0.375 120.857 120.500 -0.030 0.000 2.502 232 R HA 0.323 4.663 4.340 -0.000 0.000 0.300 232 R C -1.737 174.480 176.300 -0.138 0.000 0.984 232 R CA -0.412 55.698 56.100 0.016 0.000 0.882 232 R CB 0.393 30.681 30.300 -0.020 0.000 1.180 232 R HN -0.234 nan 8.270 nan 0.000 0.444 233 F N 1.438 121.433 119.950 0.075 0.000 2.579 233 F HA 0.580 5.107 4.527 -0.000 0.000 0.324 233 F C 0.043 175.932 175.800 0.149 0.000 1.058 233 F CA -0.391 57.655 58.000 0.077 0.000 0.944 233 F CB 2.255 41.334 39.000 0.132 0.000 1.245 233 F HN 0.365 nan 8.300 nan 0.000 0.477 234 D N 0.188 120.770 120.400 0.304 0.000 2.661 234 D HA 0.261 4.901 4.640 -0.000 0.000 0.228 234 D C -1.249 175.198 176.300 0.246 0.000 1.183 234 D CA -0.521 53.639 54.000 0.267 0.000 0.844 234 D CB 2.873 43.771 40.800 0.164 0.000 1.555 234 D HN 0.664 nan 8.370 nan 0.000 0.453 235 E N 0.362 120.729 120.200 0.279 0.000 2.235 235 E HA 0.552 4.901 4.350 -0.000 0.000 0.265 235 E C -0.486 176.222 176.600 0.181 0.000 0.940 235 E CA -0.816 55.726 56.400 0.238 0.000 0.819 235 E CB 1.826 31.742 29.700 0.359 0.000 1.206 235 E HN 0.299 nan 8.360 nan 0.000 0.409 236 I N 2.252 122.901 120.570 0.131 0.000 2.396 236 I HA 0.049 4.218 4.170 -0.000 0.000 0.289 236 I C -0.040 176.118 176.117 0.068 0.000 1.056 236 I CA -0.838 60.514 61.300 0.087 0.000 1.365 236 I CB 1.128 39.158 38.000 0.050 0.000 1.407 236 I HN 0.367 nan 8.210 nan 0.000 0.509 237 V N 7.123 127.086 119.914 0.082 0.000 2.617 237 V HA -0.084 4.036 4.120 -0.000 0.000 0.304 237 V C 0.627 176.726 176.094 0.009 0.000 1.040 237 V CA 0.732 63.082 62.300 0.084 0.000 1.149 237 V CB 0.170 32.053 31.823 0.099 0.000 0.914 237 V HN 0.933 nan 8.190 nan 0.000 0.487 238 D N 2.165 122.560 120.400 -0.008 0.000 3.006 238 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 238 D C 0.466 176.397 176.300 -0.616 0.000 1.075 238 D CA 1.704 55.607 54.000 -0.162 0.000 1.000 238 D CB -1.348 39.429 40.800 -0.039 0.000 1.097 238 D HN 1.628 nan 8.370 nan 0.000 0.426 239 G N -0.920 107.468 108.800 -0.687 0.000 2.640 239 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.686 239 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.686 239 G C 0.697 175.445 174.900 -0.252 0.000 1.229 239 G CA -0.025 44.635 45.100 -0.733 0.000 0.796 239 G HN -0.044 nan 8.290 nan 0.000 0.654 240 M N 1.079 120.609 119.600 -0.117 0.000 2.296 240 M HA -0.033 4.447 4.480 -0.000 0.000 0.265 240 M C 2.242 178.518 176.300 -0.040 0.000 1.064 240 M CA 2.183 57.465 55.300 -0.029 0.000 1.109 240 M CB -0.985 31.629 32.600 0.023 0.000 1.396 240 M HN 0.838 nan 8.290 nan 0.000 0.430 241 D N 0.004 120.364 120.400 -0.067 0.000 2.378 241 D HA -0.143 4.497 4.640 -0.000 0.000 0.222 241 D C 1.422 177.676 176.300 -0.077 0.000 0.980 241 D CA 0.726 54.689 54.000 -0.062 0.000 0.907 241 D CB -0.319 40.442 40.800 -0.065 0.000 0.899 241 D HN 0.135 nan 8.370 nan 0.000 0.527 242 K N -0.021 120.328 120.400 -0.084 0.000 2.209 242 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 242 K C 1.945 178.508 176.600 -0.062 0.000 1.048 242 K CA 0.320 56.564 56.287 -0.071 0.000 0.940 242 K CB -0.435 32.031 32.500 -0.056 0.000 0.729 242 K HN 0.278 nan 8.250 nan 0.000 0.451 243 L N 2.139 123.341 121.223 -0.035 0.000 1.973 243 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 243 L C -1.110 175.687 176.870 -0.121 0.000 1.073 243 L CA 1.874 56.697 54.840 -0.028 0.000 0.746 243 L CB -1.406 40.677 42.059 0.040 0.000 0.891 243 L HN 0.032 nan 8.230 nan 0.000 0.433 244 P HA -0.130 nan 4.420 nan 0.000 0.216 244 P C 1.535 178.793 177.300 -0.069 0.000 1.150 244 P CA 1.843 64.893 63.100 -0.083 0.000 0.837 244 P CB -0.296 31.377 31.700 -0.045 0.000 0.786 245 T N 0.298 114.811 114.554 -0.067 0.000 2.684 245 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 245 T C 2.058 176.733 174.700 -0.040 0.000 1.036 245 T CA 1.945 64.042 62.100 -0.005 0.000 1.148 245 T CB -0.848 67.996 68.868 -0.039 0.000 0.863 245 T HN 0.104 nan 8.240 nan 0.000 0.436 246 A N 1.042 123.722 122.820 -0.233 0.000 1.902 246 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 246 A C 2.316 179.409 177.584 -0.819 0.000 1.181 246 A CA 1.674 53.419 52.037 -0.487 0.000 0.623 246 A CB -0.690 17.967 19.000 -0.572 0.000 0.818 246 A HN 0.497 nan 8.150 nan 0.000 0.443 247 M N -1.770 117.316 119.600 -0.857 0.000 2.086 247 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 247 M C 2.161 178.387 176.300 -0.123 0.000 1.067 247 M CA 2.267 57.203 55.300 -0.607 0.000 1.116 247 M CB -0.346 32.015 32.600 -0.398 0.000 1.348 247 M HN 0.599 nan 8.290 nan 0.000 0.407 248 Y N 0.874 121.084 120.300 -0.149 0.000 2.128 248 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 248 Y C 2.128 178.016 175.900 -0.021 0.000 1.154 248 Y CA 1.990 60.067 58.100 -0.038 0.000 1.149 248 Y CB -0.501 37.967 38.460 0.014 0.000 0.976 248 Y HN 0.174 nan 8.280 nan 0.000 0.505 249 R N 0.058 120.350 120.500 -0.347 0.000 2.105 249 R HA -0.170 4.170 4.340 -0.000 0.000 0.239 249 R C 1.673 177.814 176.300 -0.265 0.000 1.135 249 R CA 1.592 57.447 56.100 -0.409 0.000 0.967 249 R CB -0.388 29.817 30.300 -0.157 0.000 0.861 249 R HN 0.379 nan 8.270 nan 0.000 0.442 250 D N 0.319 120.655 120.400 -0.106 0.000 2.264 250 D HA -0.091 4.549 4.640 -0.000 0.000 0.208 250 D C 1.244 177.511 176.300 -0.055 0.000 0.966 250 D CA 1.008 55.018 54.000 0.016 0.000 0.864 250 D CB 0.172 41.142 40.800 0.284 0.000 0.933 250 D HN 0.434 nan 8.370 nan 0.000 0.499 251 I N -2.253 118.246 120.570 -0.118 0.000 3.658 251 I HA 0.256 4.426 4.170 -0.000 0.000 0.328 251 I C 1.415 177.395 176.117 -0.229 0.000 1.567 251 I CA -0.401 60.825 61.300 -0.124 0.000 1.078 251 I CB 0.242 38.219 38.000 -0.039 0.000 1.267 251 I HN -0.233 nan 8.210 nan 0.000 0.495 252 Q N 2.906 122.467 119.800 -0.397 0.000 2.112 252 Q HA -0.247 4.093 4.340 -0.000 0.000 0.206 252 Q C 1.543 177.385 176.000 -0.263 0.000 0.987 252 Q CA 2.673 58.132 55.803 -0.572 0.000 0.858 252 Q CB -0.040 28.339 28.738 -0.599 0.000 0.905 252 Q HN 0.803 nan 8.270 nan 0.000 0.420 253 D N -0.573 119.712 120.400 -0.191 0.000 2.348 253 D HA -0.142 4.498 4.640 -0.000 0.000 0.216 253 D C 0.912 177.112 176.300 -0.165 0.000 0.970 253 D CA 0.697 54.608 54.000 -0.148 0.000 0.889 253 D CB -0.012 40.732 40.800 -0.093 0.000 0.912 253 D HN 0.309 nan 8.370 nan 0.000 0.524 254 K N 0.158 120.471 120.400 -0.145 0.000 2.393 254 K HA 0.166 4.486 4.320 -0.000 0.000 0.193 254 K C 0.080 176.612 176.600 -0.114 0.000 1.026 254 K CA -0.035 56.213 56.287 -0.065 0.000 1.064 254 K CB 1.437 33.925 32.500 -0.020 0.000 0.833 254 K HN -0.016 nan 8.250 nan 0.000 0.521 255 V N 2.403 122.144 119.914 -0.289 0.000 2.398 255 V HA 0.182 4.302 4.120 -0.000 0.000 0.286 255 V C -0.458 175.207 176.094 -0.716 0.000 1.026 255 V CA -0.860 61.231 62.300 -0.349 0.000 0.868 255 V CB 1.226 32.931 31.823 -0.195 0.000 0.982 255 V HN 0.226 nan 8.190 nan 0.000 0.443 256 H N 4.651 123.440 119.070 -0.468 0.000 2.587 256 H HA 0.455 5.011 4.556 -0.000 0.000 0.325 256 H C -0.931 174.117 175.328 -0.468 0.000 1.012 256 H CA -0.356 55.468 56.048 -0.374 0.000 1.213 256 H CB 1.472 31.073 29.762 -0.268 0.000 1.431 256 H HN 0.433 nan 8.280 nan 0.000 0.492 257 F N 1.236 121.189 119.950 0.006 0.000 2.380 257 F HA 0.111 4.638 4.527 -0.000 0.000 0.319 257 F C 1.435 177.231 175.800 -0.007 0.000 1.113 257 F CA -0.713 57.263 58.000 -0.039 0.000 1.056 257 F CB 0.433 39.389 39.000 -0.074 0.000 1.289 257 F HN 0.543 nan 8.300 nan 0.000 0.515 258 N N -0.238 118.576 118.700 0.189 0.000 2.721 258 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 258 N C -0.776 174.806 175.510 0.120 0.000 1.072 258 N CA 0.801 53.926 53.050 0.124 0.000 0.710 258 N CB -1.184 37.381 38.487 0.130 0.000 0.993 258 N HN 0.596 nan 8.380 nan 0.000 0.547 259 A N 0.772 123.627 122.820 0.058 0.000 2.664 259 A HA 0.348 4.668 4.320 -0.000 0.000 0.338 259 A C 0.234 177.830 177.584 0.021 0.000 1.280 259 A CA -0.499 51.565 52.037 0.045 0.000 0.809 259 A CB 0.672 19.500 19.000 -0.286 0.000 1.114 259 A HN 0.257 nan 8.150 nan 0.000 0.479 260 Q N 2.460 122.332 119.800 0.120 0.000 2.349 260 Q HA 0.455 4.795 4.340 -0.000 0.000 0.254 260 Q C -0.803 175.271 176.000 0.122 0.000 0.980 260 Q CA -0.296 55.563 55.803 0.094 0.000 0.924 260 Q CB 0.877 29.691 28.738 0.127 0.000 1.209 260 Q HN 0.477 nan 8.270 nan 0.000 0.445 261 V N 6.958 126.916 119.914 0.072 0.000 2.585 261 V HA -0.015 4.105 4.120 -0.000 0.000 0.296 261 V C 1.068 177.180 176.094 0.030 0.000 1.035 261 V CA 0.641 62.981 62.300 0.066 0.000 1.084 261 V CB 0.571 32.396 31.823 0.004 0.000 0.953 261 V HN 0.878 nan 8.190 nan 0.000 0.483 262 I N 0.894 121.469 120.570 0.008 0.000 4.456 262 I HA 0.461 4.631 4.170 -0.000 0.000 0.329 262 I C 0.407 176.470 176.117 -0.090 0.000 1.313 262 I CA 0.019 61.304 61.300 -0.024 0.000 1.205 262 I CB 0.338 38.337 38.000 -0.001 0.000 1.179 262 I HN 0.410 nan 8.210 nan 0.000 0.419 263 K N 2.000 122.327 120.400 -0.122 0.000 2.523 263 K HA 0.685 5.005 4.320 -0.000 0.000 0.257 263 K C -1.423 175.041 176.600 -0.225 0.000 0.932 263 K CA -0.503 55.676 56.287 -0.181 0.000 0.812 263 K CB 3.302 35.741 32.500 -0.102 0.000 1.326 263 K HN 0.021 nan 8.250 nan 0.000 0.433 264 I N 2.251 122.614 120.570 -0.346 0.000 2.512 264 I HA 0.233 4.403 4.170 -0.000 0.000 0.287 264 I C -1.013 175.036 176.117 -0.112 0.000 1.069 264 I CA -0.604 60.544 61.300 -0.254 0.000 1.056 264 I CB 2.274 40.045 38.000 -0.381 0.000 1.229 264 I HN 0.540 nan 8.210 nan 0.000 0.429 265 Q N 6.230 126.007 119.800 -0.039 0.000 2.356 265 Q HA 0.483 4.823 4.340 -0.000 0.000 0.270 265 Q C -1.595 174.417 176.000 0.020 0.000 1.058 265 Q CA -0.754 55.056 55.803 0.010 0.000 0.802 265 Q CB 2.186 30.921 28.738 -0.005 0.000 1.303 265 Q HN 0.566 nan 8.270 nan 0.000 0.444 266 Q N 2.548 122.373 119.800 0.043 0.000 2.271 266 Q HA 0.446 4.786 4.340 -0.000 0.000 0.258 266 Q C -1.157 174.851 176.000 0.013 0.000 0.936 266 Q CA -0.568 55.248 55.803 0.023 0.000 0.909 266 Q CB 1.382 30.142 28.738 0.036 0.000 1.253 266 Q HN 0.514 nan 8.270 nan 0.000 0.440 267 N N 2.773 121.470 118.700 -0.004 0.000 2.623 267 N HA 0.099 4.839 4.740 -0.000 0.000 0.256 267 N C -1.106 174.397 175.510 -0.012 0.000 1.045 267 N CA -0.263 52.785 53.050 -0.004 0.000 0.863 267 N CB 0.961 39.444 38.487 -0.008 0.000 1.182 267 N HN 0.678 nan 8.380 nan 0.000 0.523 268 D N 1.018 121.414 120.400 -0.006 0.000 3.996 268 D HA -0.316 4.324 4.640 -0.000 0.000 0.140 268 D C 0.356 176.640 176.300 -0.027 0.000 0.829 268 D CA 1.728 55.722 54.000 -0.009 0.000 1.111 268 D CB -0.220 40.575 40.800 -0.008 0.000 0.516 268 D HN 0.582 nan 8.370 nan 0.000 0.517 269 Q N 0.216 119.992 119.800 -0.039 0.000 2.280 269 Q HA 0.137 4.477 4.340 -0.000 0.000 0.202 269 Q C -0.071 175.857 176.000 -0.121 0.000 0.903 269 Q CA 0.335 56.091 55.803 -0.078 0.000 0.948 269 Q CB 0.579 29.282 28.738 -0.060 0.000 1.058 269 Q HN 0.103 nan 8.270 nan 0.000 0.493 270 K N 0.874 121.221 120.400 -0.088 0.000 2.340 270 K HA 0.531 4.851 4.320 -0.000 0.000 0.244 270 K C -0.543 176.010 176.600 -0.078 0.000 0.973 270 K CA -0.758 55.472 56.287 -0.094 0.000 0.828 270 K CB 2.462 34.929 32.500 -0.055 0.000 1.226 270 K HN -0.058 nan 8.250 nan 0.000 0.437 271 V N -1.935 117.928 119.914 -0.085 0.000 2.769 271 V HA 0.732 4.852 4.120 -0.000 0.000 0.312 271 V C -0.518 175.542 176.094 -0.056 0.000 1.061 271 V CA -0.462 61.804 62.300 -0.057 0.000 0.931 271 V CB 1.956 33.749 31.823 -0.049 0.000 1.010 271 V HN 0.659 nan 8.190 nan 0.000 0.433 272 T N 3.410 117.939 114.554 -0.041 0.000 2.812 272 T HA 0.676 5.026 4.350 -0.000 0.000 0.282 272 T C -0.633 174.042 174.700 -0.041 0.000 0.990 272 T CA -0.388 61.690 62.100 -0.038 0.000 0.960 272 T CB 1.554 70.404 68.868 -0.029 0.000 0.948 272 T HN 0.774 nan 8.240 nan 0.000 0.438 273 V N 3.858 123.755 119.914 -0.029 0.000 2.448 273 V HA 0.506 4.626 4.120 -0.000 0.000 0.295 273 V C -0.184 175.934 176.094 0.041 0.000 1.025 273 V CA -0.788 61.503 62.300 -0.015 0.000 0.859 273 V CB 1.747 33.561 31.823 -0.015 0.000 0.988 273 V HN 0.701 nan 8.190 nan 0.000 0.431 274 V N 6.168 126.087 119.914 0.010 0.000 2.435 274 V HA 0.599 4.719 4.120 -0.000 0.000 0.290 274 V C -0.675 175.457 176.094 0.062 0.000 1.030 274 V CA -0.593 61.695 62.300 -0.019 0.000 0.881 274 V CB 1.296 33.081 31.823 -0.064 0.000 0.983 274 V HN 0.893 nan 8.190 nan 0.000 0.445 275 Y N 1.154 121.422 120.300 -0.053 0.000 2.553 275 Y HA 0.786 5.336 4.550 -0.000 0.000 0.347 275 Y C -0.394 175.493 175.900 -0.022 0.000 1.019 275 Y CA -1.378 56.698 58.100 -0.040 0.000 1.032 275 Y CB 1.256 39.689 38.460 -0.045 0.000 1.284 275 Y HN 0.579 nan 8.280 nan 0.000 0.466 276 E N 1.314 121.589 120.200 0.124 0.000 2.319 276 E HA 0.496 4.846 4.350 -0.000 0.000 0.268 276 E C -0.357 176.339 176.600 0.160 0.000 1.050 276 E CA -0.505 55.933 56.400 0.063 0.000 0.878 276 E CB 1.568 31.309 29.700 0.067 0.000 1.066 276 E HN 0.841 nan 8.360 nan 0.000 0.406 277 T N -1.823 112.787 114.554 0.094 0.000 2.724 277 T HA 0.325 4.675 4.350 -0.000 0.000 0.274 277 T C 0.978 175.731 174.700 0.089 0.000 0.984 277 T CA -0.812 61.365 62.100 0.129 0.000 1.024 277 T CB 0.287 69.218 68.868 0.106 0.000 1.320 277 T HN 0.354 nan 8.240 nan 0.000 0.555 278 L N 0.978 122.253 121.223 0.088 0.000 2.275 278 L HA 0.106 4.446 4.340 -0.000 0.000 0.215 278 L C 1.800 178.698 176.870 0.047 0.000 1.119 278 L CA 0.731 55.612 54.840 0.067 0.000 0.790 278 L CB -0.479 41.620 42.059 0.067 0.000 0.919 278 L HN 0.837 nan 8.230 nan 0.000 0.443 279 S N -1.184 114.540 115.700 0.040 0.000 2.690 279 S HA 0.203 4.673 4.470 -0.000 0.000 0.285 279 S C 0.886 175.494 174.600 0.012 0.000 1.135 279 S CA -0.750 57.464 58.200 0.023 0.000 1.020 279 S CB 0.984 64.195 63.200 0.019 0.000 1.159 279 S HN 0.010 nan 8.310 nan 0.000 0.534 280 K N 0.219 120.620 120.400 0.002 0.000 2.439 280 K HA 0.085 4.405 4.320 -0.000 0.000 0.197 280 K C 0.600 177.184 176.600 -0.026 0.000 1.041 280 K CA 0.318 56.600 56.287 -0.008 0.000 0.970 280 K CB -0.166 32.329 32.500 -0.008 0.000 0.773 280 K HN 0.629 nan 8.250 nan 0.000 0.479 281 E N 1.623 121.805 120.200 -0.030 0.000 2.414 281 E HA -0.054 4.296 4.350 -0.000 0.000 0.263 281 E C -0.735 175.801 176.600 -0.108 0.000 1.000 281 E CA 0.602 56.966 56.400 -0.061 0.000 0.914 281 E CB 0.634 30.304 29.700 -0.051 0.000 0.948 281 E HN -0.170 nan 8.360 nan 0.000 0.444 282 T N 6.366 120.827 114.554 -0.155 0.000 3.317 282 T HA 0.357 4.707 4.350 -0.000 0.000 0.361 282 T C -2.600 171.896 174.700 -0.340 0.000 1.499 282 T CA -1.841 60.119 62.100 -0.233 0.000 1.529 282 T CB 0.496 69.280 68.868 -0.141 0.000 0.997 282 T HN 0.291 nan 8.240 nan 0.000 0.624 283 P HA 0.414 nan 4.420 nan 0.000 0.272 283 P C -0.687 176.340 177.300 -0.455 0.000 1.240 283 P CA -0.354 62.455 63.100 -0.486 0.000 0.791 283 P CB 0.695 32.069 31.700 -0.545 0.000 0.978 284 S N -0.117 115.463 115.700 -0.200 0.000 2.503 284 S HA 0.567 5.037 4.470 -0.000 0.000 0.301 284 S C -0.662 173.944 174.600 0.009 0.000 1.087 284 S CA -0.600 57.552 58.200 -0.081 0.000 1.042 284 S CB 1.168 64.332 63.200 -0.059 0.000 1.043 284 S HN 0.129 nan 8.310 nan 0.000 0.489 285 V N 2.467 122.420 119.914 0.065 0.000 2.540 285 V HA 0.519 4.639 4.120 -0.000 0.000 0.302 285 V C -0.148 175.953 176.094 0.011 0.000 1.035 285 V CA -0.585 61.756 62.300 0.069 0.000 0.873 285 V CB 2.089 33.965 31.823 0.090 0.000 0.992 285 V HN 0.903 nan 8.190 nan 0.000 0.428 286 T N 4.009 118.577 114.554 0.024 0.000 2.824 286 T HA 0.848 5.198 4.350 -0.000 0.000 0.280 286 T C -0.008 174.670 174.700 -0.036 0.000 0.995 286 T CA -0.069 62.024 62.100 -0.012 0.000 1.009 286 T CB 1.734 70.608 68.868 0.009 0.000 0.955 286 T HN 1.039 nan 8.240 nan 0.000 0.452 287 A N 1.669 124.413 122.820 -0.127 0.000 0.000 287 A HA 0.673 4.993 4.320 -0.000 0.000 0.000 287 A C 0.159 177.658 177.584 -0.141 0.000 0.000 287 A CA -0.635 51.269 52.037 -0.221 0.000 0.000 287 A CB 0.844 19.509 19.000 -0.558 0.000 0.000 287 A HN 0.681 nan 8.150 nan 0.000 0.000 288 D N -1.275 119.047 120.400 -0.130 0.000 2.240 288 D HA 0.169 4.809 4.640 -0.000 0.000 0.206 288 D C -0.654 175.286 176.300 -0.600 0.000 0.963 288 D CA 1.794 55.619 54.000 -0.292 0.000 0.863 288 D CB 0.223 40.925 40.800 -0.164 0.000 0.973 288 D HN 0.452 nan 8.370 nan 0.000 0.501 289 Y N -0.915 119.347 120.300 -0.063 0.000 2.597 289 Y HA 0.415 4.965 4.550 -0.000 0.000 0.340 289 Y C -0.600 175.258 175.900 -0.069 0.000 1.097 289 Y CA -1.095 56.985 58.100 -0.034 0.000 1.037 289 Y CB 2.387 40.799 38.460 -0.081 0.000 1.305 289 Y HN -0.364 nan 8.280 nan 0.000 0.463 290 V N 3.816 123.824 119.914 0.157 0.000 2.789 290 V HA 0.666 4.786 4.120 -0.000 0.000 0.311 290 V C -1.439 174.685 176.094 0.050 0.000 1.073 290 V CA -0.785 61.541 62.300 0.043 0.000 0.921 290 V CB 1.685 33.506 31.823 -0.002 0.000 1.009 290 V HN 0.660 nan 8.190 nan 0.000 0.426 291 I N 6.609 127.173 120.570 -0.010 0.000 2.382 291 I HA 0.429 4.599 4.170 -0.000 0.000 0.286 291 I C -0.480 175.602 176.117 -0.060 0.000 1.002 291 I CA -0.901 60.381 61.300 -0.031 0.000 1.135 291 I CB 1.899 39.888 38.000 -0.018 0.000 1.288 291 I HN 0.291 nan 8.210 nan 0.000 0.448 292 V N 5.710 125.531 119.914 -0.155 0.000 2.432 292 V HA 0.098 4.218 4.120 -0.000 0.000 0.271 292 V C 0.261 176.427 176.094 0.120 0.000 1.046 292 V CA -0.112 62.173 62.300 -0.025 0.000 0.945 292 V CB 1.078 32.881 31.823 -0.033 0.000 0.992 292 V HN 0.937 nan 8.190 nan 0.000 0.471 293 C N 3.371 122.750 119.300 0.133 0.000 2.859 293 C HA 0.275 4.735 4.460 -0.000 0.000 0.256 293 C C 1.330 176.426 174.990 0.176 0.000 1.660 293 C CA -0.339 58.765 59.018 0.144 0.000 1.755 293 C CB -0.986 26.797 27.740 0.071 0.000 3.127 293 C HN 0.963 nan 8.230 nan 0.000 0.494 294 T N -0.896 113.798 114.554 0.233 0.000 2.810 294 T HA 0.487 4.837 4.350 -0.000 0.000 0.277 294 T C 0.559 175.441 174.700 0.302 0.000 0.973 294 T CA 0.088 62.319 62.100 0.219 0.000 0.949 294 T CB 0.657 69.640 68.868 0.192 0.000 1.075 294 T HN 0.428 nan 8.240 nan 0.000 0.537 295 T N -0.592 114.089 114.554 0.212 0.000 2.802 295 T HA 0.212 4.562 4.350 -0.000 0.000 0.305 295 T C 1.704 176.398 174.700 -0.009 0.000 1.053 295 T CA -0.183 62.027 62.100 0.184 0.000 1.058 295 T CB 0.355 69.235 68.868 0.020 0.000 0.988 295 T HN 0.853 nan 8.240 nan 0.000 0.539 296 S N 1.171 116.665 115.700 -0.343 0.000 2.382 296 S HA -0.161 4.309 4.470 -0.000 0.000 0.228 296 S C 2.004 176.445 174.600 -0.266 0.000 1.027 296 S CA 0.523 58.313 58.200 -0.683 0.000 0.991 296 S CB -0.516 62.112 63.200 -0.952 0.000 0.823 296 S HN 0.741 nan 8.310 nan 0.000 0.469 297 R N 1.637 122.008 120.500 -0.215 0.000 2.075 297 R HA 0.122 4.462 4.340 -0.000 0.000 0.232 297 R C 2.776 179.044 176.300 -0.053 0.000 1.126 297 R CA 1.176 57.190 56.100 -0.143 0.000 0.963 297 R CB -0.823 29.358 30.300 -0.198 0.000 0.858 297 R HN 0.551 nan 8.270 nan 0.000 0.435 298 A N 0.916 123.725 122.820 -0.019 0.000 1.978 298 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 298 A C 2.322 179.975 177.584 0.114 0.000 1.170 298 A CA 1.363 53.439 52.037 0.065 0.000 0.636 298 A CB -0.497 18.567 19.000 0.108 0.000 0.810 298 A HN 0.122 nan 8.150 nan 0.000 0.448 299 V N -0.028 119.961 119.914 0.126 0.000 2.407 299 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 299 V C 2.446 178.696 176.094 0.259 0.000 1.055 299 V CA 2.177 64.629 62.300 0.253 0.000 1.049 299 V CB -0.829 31.136 31.823 0.236 0.000 0.662 299 V HN 0.556 nan 8.190 nan 0.000 0.455 300 R N -0.400 120.174 120.500 0.123 0.000 2.285 300 R HA 0.052 4.392 4.340 -0.000 0.000 0.213 300 R C 1.915 178.283 176.300 0.112 0.000 1.068 300 R CA 0.727 56.891 56.100 0.107 0.000 1.004 300 R CB -0.203 30.115 30.300 0.029 0.000 0.873 300 R HN 0.455 nan 8.270 nan 0.000 0.467 301 L N 0.399 121.686 121.223 0.107 0.000 2.509 301 L HA 0.145 4.485 4.340 -0.000 0.000 0.222 301 L C 0.672 177.585 176.870 0.073 0.000 1.123 301 L CA 0.165 55.052 54.840 0.079 0.000 0.856 301 L CB 0.128 42.229 42.059 0.070 0.000 0.985 301 L HN 0.076 nan 8.230 nan 0.000 0.456 302 I N 0.699 121.331 120.570 0.103 0.000 2.365 302 I HA 0.070 4.240 4.170 -0.000 0.000 0.291 302 I C 0.533 176.618 176.117 -0.053 0.000 1.004 302 I CA -0.138 61.140 61.300 -0.037 0.000 1.311 302 I CB 1.186 39.093 38.000 -0.156 0.000 1.401 302 I HN -0.024 nan 8.210 nan 0.000 0.491 303 K N 6.524 126.849 120.400 -0.123 0.000 2.312 303 K HA 0.346 4.666 4.320 -0.000 0.000 0.287 303 K C -1.366 175.118 176.600 -0.193 0.000 1.062 303 K CA -0.221 56.036 56.287 -0.049 0.000 0.934 303 K CB 0.512 32.995 32.500 -0.027 0.000 1.027 303 K HN 0.294 nan 8.250 nan 0.000 0.478 304 F N 3.010 122.989 119.950 0.049 0.000 2.436 304 F HA 0.300 4.827 4.527 -0.000 0.000 0.340 304 F C 0.379 176.202 175.800 0.039 0.000 1.113 304 F CA -0.775 57.258 58.000 0.054 0.000 1.022 304 F CB 1.482 40.531 39.000 0.081 0.000 1.128 304 F HN 0.493 nan 8.300 nan 0.000 0.466 305 N N 4.662 123.468 118.700 0.177 0.000 2.504 305 N HA 0.400 5.140 4.740 -0.000 0.000 0.280 305 N C -3.073 172.505 175.510 0.113 0.000 1.052 305 N CA -2.343 50.777 53.050 0.116 0.000 0.887 305 N CB 2.120 40.642 38.487 0.057 0.000 1.323 305 N HN 0.085 nan 8.380 nan 0.000 0.509 306 P HA 0.346 nan 4.420 nan 0.000 0.274 306 P C -2.727 174.656 177.300 0.139 0.000 1.246 306 P CA -1.063 62.096 63.100 0.097 0.000 0.795 306 P CB -0.128 31.611 31.700 0.066 0.000 1.006 307 P HA 0.141 nan 4.420 nan 0.000 0.272 307 P C 0.015 177.340 177.300 0.042 0.000 1.230 307 P CA -0.059 63.113 63.100 0.119 0.000 0.788 307 P CB 0.365 32.112 31.700 0.078 0.000 0.949 308 L N 1.431 122.629 121.223 -0.041 0.000 2.490 308 L HA 0.045 4.385 4.340 -0.000 0.000 0.274 308 L C 1.080 177.899 176.870 -0.085 0.000 1.201 308 L CA -0.060 54.688 54.840 -0.153 0.000 0.869 308 L CB -0.500 41.364 42.059 -0.324 0.000 1.123 308 L HN 0.261 nan 8.230 nan 0.000 0.484 309 L N 5.003 126.180 121.223 -0.076 0.000 2.473 309 L HA 0.059 4.399 4.340 -0.000 0.000 0.268 309 L C -1.156 175.686 176.870 -0.047 0.000 1.215 309 L CA -1.266 53.548 54.840 -0.044 0.000 0.823 309 L CB 0.197 42.237 42.059 -0.031 0.000 1.099 309 L HN 0.447 nan 8.230 nan 0.000 0.483 310 P HA -0.176 nan 4.420 nan 0.000 0.216 310 P C 1.020 178.328 177.300 0.014 0.000 1.153 310 P CA 1.222 64.316 63.100 -0.010 0.000 0.858 310 P CB 0.160 31.859 31.700 -0.002 0.000 0.789 311 K N -0.007 120.402 120.400 0.015 0.000 2.057 311 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 311 K C 2.039 178.629 176.600 -0.017 0.000 1.050 311 K CA 1.312 57.625 56.287 0.043 0.000 0.935 311 K CB -0.683 31.841 32.500 0.041 0.000 0.715 311 K HN 0.200 nan 8.250 nan 0.000 0.439 312 K N 0.838 121.191 120.400 -0.080 0.000 2.057 312 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 312 K C 2.072 178.550 176.600 -0.202 0.000 1.050 312 K CA 1.191 57.373 56.287 -0.176 0.000 0.935 312 K CB -0.061 32.286 32.500 -0.255 0.000 0.715 312 K HN 0.057 nan 8.250 nan 0.000 0.439 313 A N 0.557 123.293 122.820 -0.140 0.000 1.933 313 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 313 A C 2.041 179.575 177.584 -0.083 0.000 1.175 313 A CA 1.732 53.697 52.037 -0.119 0.000 0.628 313 A CB -0.906 18.049 19.000 -0.075 0.000 0.814 313 A HN 0.636 nan 8.150 nan 0.000 0.444 314 H N -0.744 118.216 119.070 -0.182 0.000 2.326 314 H HA 0.002 4.558 4.556 -0.000 0.000 0.301 314 H C 2.323 177.362 175.328 -0.481 0.000 1.081 314 H CA 0.966 56.892 56.048 -0.203 0.000 1.334 314 H CB 0.007 29.726 29.762 -0.072 0.000 1.385 314 H HN 0.459 nan 8.280 nan 0.000 0.504 315 A N 1.043 123.466 122.820 -0.661 0.000 1.908 315 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 315 A C 2.480 179.633 177.584 -0.718 0.000 1.181 315 A CA 1.362 52.634 52.037 -1.275 0.000 0.627 315 A CB -0.779 17.778 19.000 -0.738 0.000 0.818 315 A HN 0.447 nan 8.150 nan 0.000 0.445 316 L N -1.191 119.786 121.223 -0.409 0.000 2.141 316 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 316 L C 2.724 179.461 176.870 -0.221 0.000 1.094 316 L CA 1.560 56.213 54.840 -0.312 0.000 0.763 316 L CB -0.418 41.486 42.059 -0.258 0.000 0.908 316 L HN 0.491 nan 8.230 nan 0.000 0.437 317 R N -0.271 120.126 120.500 -0.172 0.000 2.081 317 R HA -0.132 4.207 4.340 -0.000 0.000 0.235 317 R C 2.064 178.331 176.300 -0.056 0.000 1.131 317 R CA 1.954 58.010 56.100 -0.073 0.000 0.960 317 R CB -0.027 30.272 30.300 -0.002 0.000 0.856 317 R HN 0.163 nan 8.270 nan 0.000 0.436 318 S N -0.431 115.178 115.700 -0.152 0.000 2.497 318 S HA 0.167 4.637 4.470 -0.000 0.000 0.218 318 S C 0.090 174.684 174.600 -0.010 0.000 1.023 318 S CA -0.286 57.888 58.200 -0.044 0.000 0.913 318 S CB 0.761 63.965 63.200 0.007 0.000 0.800 318 S HN 0.056 nan 8.310 nan 0.000 0.505 319 V N 3.576 123.386 119.914 -0.172 0.000 2.584 319 V HA -0.043 4.077 4.120 -0.000 0.000 0.303 319 V C 0.318 176.514 176.094 0.169 0.000 1.035 319 V CA 0.421 62.694 62.300 -0.045 0.000 1.172 319 V CB -0.234 31.527 31.823 -0.104 0.000 0.896 319 V HN 0.440 nan 8.190 nan 0.000 0.486 320 H N 5.147 124.282 119.070 0.108 0.000 2.511 320 H HA 0.492 5.048 4.556 -0.000 0.000 0.346 320 H C -1.135 174.250 175.328 0.094 0.000 1.128 320 H CA -0.193 55.965 56.048 0.184 0.000 1.342 320 H CB 0.685 30.575 29.762 0.214 0.000 1.470 320 H HN 0.537 nan 8.280 nan 0.000 0.546 321 Y N 2.331 122.389 120.300 -0.403 0.000 2.425 321 Y HA 0.289 4.839 4.550 -0.000 0.000 0.344 321 Y C -0.087 175.570 175.900 -0.405 0.000 0.969 321 Y CA -1.011 56.927 58.100 -0.270 0.000 1.052 321 Y CB 1.324 39.708 38.460 -0.127 0.000 1.215 321 Y HN 0.652 nan 8.280 nan 0.000 0.451 322 R N 1.003 121.486 120.500 -0.028 0.000 2.404 322 R HA 0.657 4.997 4.340 -0.000 0.000 0.291 322 R C -0.029 176.349 176.300 0.131 0.000 1.025 322 R CA -0.702 55.444 56.100 0.076 0.000 0.991 322 R CB 1.542 31.916 30.300 0.123 0.000 1.053 322 R HN 0.585 nan 8.270 nan 0.000 0.479 323 S N 0.635 116.429 115.700 0.157 0.000 2.576 323 S HA 0.387 4.857 4.470 -0.000 0.000 0.272 323 S C -0.099 174.627 174.600 0.209 0.000 1.352 323 S CA 0.320 58.634 58.200 0.190 0.000 1.021 323 S CB 0.485 63.798 63.200 0.188 0.000 0.887 323 S HN 0.802 nan 8.310 nan 0.000 0.542 324 G N 1.845 110.819 108.800 0.290 0.000 2.733 324 G HA2 0.548 4.508 3.960 -0.000 0.000 0.289 324 G HA3 0.548 4.508 3.960 -0.000 0.000 0.289 324 G C -1.312 173.847 174.900 0.431 0.000 1.473 324 G CA -0.418 44.901 45.100 0.365 0.000 1.123 324 G HN 0.667 nan 8.290 nan 0.000 0.544 325 T N 2.036 116.799 114.554 0.349 0.000 2.881 325 T HA 0.520 4.870 4.350 -0.000 0.000 0.290 325 T C -0.427 174.345 174.700 0.120 0.000 1.000 325 T CA -0.582 61.633 62.100 0.193 0.000 0.978 325 T CB 1.739 70.674 68.868 0.113 0.000 0.997 325 T HN 0.414 nan 8.240 nan 0.000 0.443 326 K N 2.839 123.219 120.400 -0.033 0.000 2.345 326 K HA 0.643 4.963 4.320 -0.000 0.000 0.255 326 K C -0.976 175.345 176.600 -0.465 0.000 0.934 326 K CA -0.699 55.402 56.287 -0.310 0.000 0.801 326 K CB 2.256 34.490 32.500 -0.442 0.000 1.137 326 K HN 0.477 nan 8.250 nan 0.000 0.424 327 I N 3.629 123.822 120.570 -0.629 0.000 2.389 327 I HA 0.342 4.512 4.170 -0.000 0.000 0.288 327 I C -0.982 174.769 176.117 -0.612 0.000 0.999 327 I CA -0.729 60.253 61.300 -0.530 0.000 1.129 327 I CB 0.821 38.485 38.000 -0.559 0.000 1.288 327 I HN 0.382 nan 8.210 nan 0.000 0.444 328 F N 6.477 126.270 119.950 -0.262 0.000 2.436 328 F HA 0.567 5.094 4.527 -0.000 0.000 0.340 328 F C -0.175 175.437 175.800 -0.313 0.000 1.113 328 F CA -0.639 57.219 58.000 -0.237 0.000 1.022 328 F CB 1.343 40.250 39.000 -0.155 0.000 1.128 328 F HN 0.087 nan 8.300 nan 0.000 0.466 329 L N 2.908 124.032 121.223 -0.166 0.000 2.341 329 L HA 0.535 4.875 4.340 -0.000 0.000 0.278 329 L C -0.449 176.253 176.870 -0.280 0.000 1.005 329 L CA -0.609 54.082 54.840 -0.248 0.000 0.818 329 L CB 2.017 43.959 42.059 -0.195 0.000 1.259 329 L HN 0.534 nan 8.230 nan 0.000 0.418 330 T N 1.743 115.971 114.554 -0.543 0.000 2.749 330 T HA 0.394 4.744 4.350 -0.000 0.000 0.287 330 T C -0.397 174.164 174.700 -0.231 0.000 0.970 330 T CA -0.235 61.480 62.100 -0.643 0.000 0.980 330 T CB 0.634 68.701 68.868 -1.336 0.000 0.924 330 T HN 0.538 nan 8.240 nan 0.000 0.456 331 c N 3.027 121.626 118.600 -0.002 0.000 2.417 331 c HA 0.522 5.092 4.570 -0.000 0.000 0.324 331 c C 1.951 176.119 174.090 0.130 0.000 1.240 331 c CA -0.756 55.688 56.329 0.192 0.000 1.632 331 c CB 1.030 43.761 42.510 0.368 0.000 2.241 331 c HN 1.044 nan 8.230 nan 0.000 0.499 332 T N -1.854 112.788 114.554 0.146 0.000 3.037 332 T HA 0.068 4.418 4.350 -0.000 0.000 0.251 332 T C 0.498 175.188 174.700 -0.016 0.000 1.079 332 T CA 0.442 62.593 62.100 0.085 0.000 1.067 332 T CB -0.108 68.830 68.868 0.117 0.000 0.948 332 T HN 0.622 nan 8.240 nan 0.000 0.496 333 T N 2.896 117.408 114.554 -0.071 0.000 2.809 333 T HA 0.354 4.704 4.350 -0.000 0.000 0.296 333 T C -0.312 174.127 174.700 -0.435 0.000 1.015 333 T CA -0.722 61.171 62.100 -0.346 0.000 0.954 333 T CB 1.374 69.768 68.868 -0.789 0.000 0.950 333 T HN 0.183 nan 8.240 nan 0.000 0.450 334 K N 3.500 123.508 120.400 -0.653 0.000 2.278 334 K HA 0.123 4.443 4.320 -0.000 0.000 0.237 334 K C 1.001 176.728 176.600 -1.455 0.000 1.229 334 K CA -0.253 55.173 56.287 -1.435 0.000 1.155 334 K CB -0.441 31.320 32.500 -1.233 0.000 1.590 334 K HN 0.701 nan 8.250 nan 0.000 0.290 335 F N -0.819 118.614 119.950 -0.861 0.000 2.250 335 F HA -0.182 4.345 4.527 -0.000 0.000 0.301 335 F C 1.555 177.184 175.800 -0.286 0.000 1.077 335 F CA 0.287 58.021 58.000 -0.443 0.000 1.348 335 F CB -0.795 38.145 39.000 -0.101 0.000 1.040 335 F HN 0.404 nan 8.300 nan 0.000 0.509 336 W N 1.403 122.264 121.300 -0.731 0.000 2.425 336 W HA 0.075 4.735 4.660 -0.000 0.000 0.277 336 W C 1.549 177.934 176.519 -0.224 0.000 1.231 336 W CA 0.925 57.984 57.345 -0.476 0.000 1.248 336 W CB -1.231 27.791 29.460 -0.730 0.000 1.117 336 W HN 0.077 nan 8.180 nan 0.000 0.568 337 E N 0.979 120.846 120.200 -0.555 0.000 2.265 337 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 337 E C 1.314 177.831 176.600 -0.138 0.000 0.996 337 E CA 1.322 57.547 56.400 -0.292 0.000 0.832 337 E CB -0.340 29.129 29.700 -0.385 0.000 0.756 337 E HN 0.319 nan 8.360 nan 0.000 0.491 338 D N 1.098 121.436 120.400 -0.103 0.000 2.263 338 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 338 D C 0.962 177.305 176.300 0.071 0.000 0.971 338 D CA 0.910 54.907 54.000 -0.004 0.000 0.867 338 D CB -0.101 40.721 40.800 0.038 0.000 0.929 338 D HN 0.104 nan 8.370 nan 0.000 0.492 339 D N -0.786 119.688 120.400 0.124 0.000 2.339 339 D HA 0.155 4.794 4.640 -0.000 0.000 0.217 339 D C 1.402 177.709 176.300 0.010 0.000 1.050 339 D CA 0.420 54.515 54.000 0.157 0.000 0.856 339 D CB 0.457 41.467 40.800 0.351 0.000 0.922 339 D HN 0.221 nan 8.370 nan 0.000 0.518 340 G N 1.125 109.918 108.800 -0.012 0.000 2.136 340 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.242 340 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.242 340 G C 0.252 175.121 174.900 -0.051 0.000 0.989 340 G CA -0.203 44.872 45.100 -0.042 0.000 0.682 340 G HN 0.358 nan 8.290 nan 0.000 0.522 341 I N 1.156 121.700 120.570 -0.044 0.000 2.365 341 I HA 0.445 4.615 4.170 -0.000 0.000 0.291 341 I C 0.375 176.552 176.117 0.099 0.000 1.004 341 I CA -0.712 60.544 61.300 -0.072 0.000 1.311 341 I CB 1.296 39.122 38.000 -0.289 0.000 1.401 341 I HN 0.238 nan 8.210 nan 0.000 0.491 342 H N 5.687 124.735 119.070 -0.036 0.000 2.934 342 H HA 0.452 5.008 4.556 -0.000 0.000 0.340 342 H C -0.040 175.258 175.328 -0.049 0.000 1.008 342 H CA 0.350 56.403 56.048 0.008 0.000 1.317 342 H CB 1.719 31.478 29.762 -0.005 0.000 1.670 342 H HN 0.830 nan 8.280 nan 0.000 0.516 343 G N 2.403 110.864 108.800 -0.564 0.000 2.750 343 G HA2 0.192 4.152 3.960 -0.000 0.000 0.228 343 G HA3 0.192 4.152 3.960 -0.000 0.000 0.228 343 G C 0.454 175.219 174.900 -0.224 0.000 1.367 343 G CA 0.307 45.121 45.100 -0.476 0.000 0.871 343 G HN 1.776 nan 8.290 nan 0.000 0.560 344 G N -0.957 107.698 108.800 -0.242 0.000 2.645 344 G HA2 0.372 4.332 3.960 -0.000 0.000 0.246 344 G HA3 0.372 4.332 3.960 -0.000 0.000 0.246 344 G C -0.032 174.782 174.900 -0.144 0.000 1.322 344 G CA 1.483 46.495 45.100 -0.147 0.000 0.898 344 G HN 2.551 nan 8.290 nan 0.000 0.573 345 K N -1.997 118.296 120.400 -0.177 0.000 2.551 345 K HA 0.751 5.071 4.320 -0.000 0.000 0.269 345 K C -0.716 175.793 176.600 -0.152 0.000 0.949 345 K CA -0.627 55.444 56.287 -0.359 0.000 0.849 345 K CB 1.577 33.538 32.500 -0.898 0.000 1.411 345 K HN 0.685 nan 8.250 nan 0.000 0.432 346 S N 0.565 116.201 115.700 -0.106 0.000 2.608 346 S HA 0.519 4.989 4.470 -0.000 0.000 0.291 346 S C -0.838 173.637 174.600 -0.210 0.000 1.146 346 S CA -0.596 57.558 58.200 -0.077 0.000 1.043 346 S CB 1.600 64.886 63.200 0.143 0.000 1.037 346 S HN 0.556 nan 8.310 nan 0.000 0.520 347 T N 1.831 116.206 114.554 -0.298 0.000 2.841 347 T HA 0.656 5.006 4.350 -0.000 0.000 0.285 347 T C -0.393 174.165 174.700 -0.236 0.000 0.991 347 T CA -0.472 61.398 62.100 -0.385 0.000 0.966 347 T CB 1.706 70.365 68.868 -0.348 0.000 0.962 347 T HN 0.564 nan 8.240 nan 0.000 0.438 348 T N 0.681 115.033 114.554 -0.337 0.000 2.864 348 T HA 0.421 4.771 4.350 -0.000 0.000 0.299 348 T C -0.447 174.141 174.700 -0.187 0.000 1.166 348 T CA -0.736 61.293 62.100 -0.119 0.000 1.007 348 T CB 1.460 70.332 68.868 0.007 0.000 1.219 348 T HN 0.593 nan 8.240 nan 0.000 0.506 349 D N 1.773 122.124 120.400 -0.081 0.000 2.349 349 D HA 0.181 4.821 4.640 -0.000 0.000 0.214 349 D C 0.819 177.056 176.300 -0.106 0.000 1.063 349 D CA -0.080 53.860 54.000 -0.100 0.000 0.847 349 D CB -0.306 40.456 40.800 -0.063 0.000 0.933 349 D HN 0.401 nan 8.370 nan 0.000 0.513 350 L N 0.193 121.380 121.223 -0.060 0.000 2.476 350 L HA 0.165 4.505 4.340 -0.000 0.000 0.264 350 L C -1.112 175.661 176.870 -0.162 0.000 1.224 350 L CA -1.539 53.254 54.840 -0.077 0.000 0.821 350 L CB 0.305 42.369 42.059 0.009 0.000 1.101 350 L HN -0.231 nan 8.230 nan 0.000 0.488 351 P HA -0.118 nan 4.420 nan 0.000 0.219 351 P C 1.376 178.703 177.300 0.044 0.000 1.146 351 P CA 1.013 63.900 63.100 -0.354 0.000 0.808 351 P CB 0.224 31.521 31.700 -0.673 0.000 0.779 352 S N -1.107 114.658 115.700 0.109 0.000 2.399 352 S HA -0.163 4.307 4.470 -0.000 0.000 0.231 352 S C 1.220 175.822 174.600 0.003 0.000 1.022 352 S CA 0.931 59.198 58.200 0.113 0.000 0.983 352 S CB -0.428 62.778 63.200 0.010 0.000 0.803 352 S HN 0.043 nan 8.310 nan 0.000 0.480 353 R N -1.004 119.410 120.500 -0.143 0.000 1.247 353 R HA -0.218 4.122 4.340 -0.000 0.000 0.031 353 R C -0.579 175.228 176.300 -0.821 0.000 0.958 353 R CA 2.078 57.922 56.100 -0.425 0.000 1.979 353 R CB -1.482 28.671 30.300 -0.245 0.000 0.185 353 R HN 0.498 nan 8.270 nan 0.000 0.728 354 F N 0.692 120.591 119.950 -0.084 0.000 2.539 354 F HA 0.526 5.053 4.527 -0.000 0.000 0.318 354 F C 0.134 175.830 175.800 -0.172 0.000 1.135 354 F CA -0.893 57.007 58.000 -0.167 0.000 0.915 354 F CB 1.595 40.513 39.000 -0.138 0.000 1.176 354 F HN -0.123 nan 8.300 nan 0.000 0.440 355 I N 4.126 124.572 120.570 -0.207 0.000 2.355 355 I HA 0.247 4.416 4.170 -0.000 0.000 0.288 355 I C -0.836 174.849 176.117 -0.721 0.000 0.999 355 I CA -1.047 60.028 61.300 -0.375 0.000 1.163 355 I CB 0.795 38.559 38.000 -0.394 0.000 1.316 355 I HN 0.499 nan 8.210 nan 0.000 0.454 356 Y N 5.951 125.926 120.300 -0.542 0.000 2.320 356 Y HA 0.400 4.950 4.550 -0.000 0.000 0.334 356 Y C -0.224 175.188 175.900 -0.813 0.000 1.055 356 Y CA -0.178 57.607 58.100 -0.526 0.000 1.143 356 Y CB 1.146 39.482 38.460 -0.207 0.000 1.193 356 Y HN 0.337 nan 8.280 nan 0.000 0.477 357 Y N 4.167 124.256 120.300 -0.352 0.000 2.361 357 Y HA 0.393 4.943 4.550 -0.000 0.000 0.332 357 Y C -2.116 173.462 175.900 -0.536 0.000 1.101 357 Y CA -3.186 54.532 58.100 -0.636 0.000 1.137 357 Y CB 0.674 38.713 38.460 -0.702 0.000 1.207 357 Y HN 0.421 nan 8.280 nan 0.000 0.463 358 P HA 0.030 nan 4.420 nan 0.000 0.269 358 P C -0.345 176.552 177.300 -0.671 0.000 1.209 358 P CA 0.027 62.810 63.100 -0.527 0.000 0.776 358 P CB 1.085 32.465 31.700 -0.533 0.000 0.876 359 N N 0.343 118.668 118.700 -0.625 0.000 2.299 359 N HA 0.006 4.746 4.740 -0.000 0.000 0.187 359 N C 0.697 176.186 175.510 -0.035 0.000 1.099 359 N CA 0.261 53.048 53.050 -0.439 0.000 0.867 359 N CB 0.096 38.436 38.487 -0.244 0.000 0.974 359 N HN 0.655 nan 8.380 nan 0.000 0.477 360 H N -0.478 118.594 119.070 0.003 0.000 2.595 360 H HA 0.415 4.971 4.556 -0.000 0.000 0.346 360 H C -0.712 174.580 175.328 -0.060 0.000 1.181 360 H CA -0.541 55.488 56.048 -0.031 0.000 1.242 360 H CB 0.744 30.392 29.762 -0.190 0.000 1.652 360 H HN -0.217 nan 8.280 nan 0.000 0.548 361 N N 1.463 120.184 118.700 0.035 0.000 2.569 361 N HA 0.145 4.885 4.740 -0.000 0.000 0.254 361 N C -1.053 174.498 175.510 0.068 0.000 1.004 361 N CA -0.411 52.646 53.050 0.012 0.000 0.904 361 N CB 0.636 39.129 38.487 0.009 0.000 1.165 361 N HN 0.294 nan 8.380 nan 0.000 0.513 362 F N 0.787 120.867 119.950 0.217 0.000 2.578 362 F HA 0.016 4.543 4.527 -0.000 0.000 0.376 362 F C 2.265 178.144 175.800 0.132 0.000 1.085 362 F CA 0.091 58.205 58.000 0.189 0.000 1.260 362 F CB 0.239 39.365 39.000 0.210 0.000 1.095 362 F HN 0.331 nan 8.300 nan 0.000 0.573 363 T N 1.153 115.901 114.554 0.323 0.000 2.897 363 T HA -0.210 4.140 4.350 -0.000 0.000 0.271 363 T C 1.558 176.352 174.700 0.157 0.000 1.084 363 T CA 1.623 63.837 62.100 0.190 0.000 1.123 363 T CB -0.383 68.578 68.868 0.156 0.000 0.865 363 T HN 0.587 nan 8.240 nan 0.000 0.496 364 N N 0.562 119.375 118.700 0.187 0.000 2.336 364 N HA 0.209 4.949 4.740 -0.000 0.000 0.189 364 N C 1.295 176.884 175.510 0.131 0.000 1.113 364 N CA 0.755 53.889 53.050 0.140 0.000 0.858 364 N CB -0.186 38.382 38.487 0.135 0.000 0.970 364 N HN 0.426 nan 8.380 nan 0.000 0.471 365 G N -0.865 108.024 108.800 0.148 0.000 2.195 365 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.246 365 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.246 365 G C -0.218 174.752 174.900 0.116 0.000 0.984 365 G CA 0.198 45.355 45.100 0.095 0.000 0.633 365 G HN 0.308 nan 8.290 nan 0.000 0.525 366 V N 1.016 121.054 119.914 0.206 0.000 2.715 366 V HA 0.578 4.698 4.120 -0.000 0.000 0.299 366 V C 1.114 177.413 176.094 0.342 0.000 1.054 366 V CA 0.854 63.288 62.300 0.224 0.000 1.077 366 V CB 1.467 33.418 31.823 0.213 0.000 0.972 366 V HN 0.948 nan 8.190 nan 0.000 0.484 367 G N 3.063 112.037 108.800 0.290 0.000 2.571 367 G HA2 0.614 4.574 3.960 -0.000 0.000 0.304 367 G HA3 0.614 4.574 3.960 -0.000 0.000 0.304 367 G C -1.498 173.601 174.900 0.331 0.000 1.314 367 G CA -0.461 44.892 45.100 0.422 0.000 0.975 367 G HN 0.550 nan 8.290 nan 0.000 0.485 368 V N 2.824 122.874 119.914 0.226 0.000 2.384 368 V HA 0.513 4.633 4.120 -0.000 0.000 0.287 368 V C 0.284 176.324 176.094 -0.091 0.000 1.020 368 V CA -0.602 61.736 62.300 0.064 0.000 0.850 368 V CB 0.935 32.867 31.823 0.183 0.000 0.987 368 V HN 0.741 nan 8.190 nan 0.000 0.436 369 I N 3.020 123.457 120.570 -0.222 0.000 2.750 369 I HA 0.771 4.940 4.170 -0.000 0.000 0.308 369 I C -0.841 175.095 176.117 -0.302 0.000 1.016 369 I CA -0.899 60.148 61.300 -0.421 0.000 1.098 369 I CB 2.140 39.734 38.000 -0.678 0.000 1.279 369 I HN 0.391 nan 8.210 nan 0.000 0.454 370 I N 3.205 123.559 120.570 -0.360 0.000 2.534 370 I HA 0.578 4.748 4.170 -0.000 0.000 0.288 370 I C -0.230 175.708 176.117 -0.299 0.000 1.077 370 I CA -0.763 60.284 61.300 -0.421 0.000 1.051 370 I CB 2.039 39.788 38.000 -0.418 0.000 1.234 370 I HN 0.779 nan 8.210 nan 0.000 0.425 371 A N 5.639 128.262 122.820 -0.329 0.000 2.274 371 A HA 0.657 4.977 4.320 -0.000 0.000 0.309 371 A C -1.466 176.066 177.584 -0.086 0.000 1.226 371 A CA -0.215 51.715 52.037 -0.178 0.000 0.853 371 A CB 0.549 19.412 19.000 -0.229 0.000 1.146 371 A HN 0.599 nan 8.150 nan 0.000 0.518 372 Y N 1.853 122.124 120.300 -0.048 0.000 2.346 372 Y HA 0.609 5.159 4.550 -0.000 0.000 0.332 372 Y C -0.007 175.966 175.900 0.121 0.000 0.985 372 Y CA -1.126 56.963 58.100 -0.019 0.000 1.112 372 Y CB 1.443 39.887 38.460 -0.026 0.000 1.170 372 Y HN 0.858 nan 8.280 nan 0.000 0.447 373 G N 5.950 114.822 108.800 0.121 0.000 2.574 373 G HA2 0.678 4.638 3.960 -0.000 0.000 0.299 373 G HA3 0.678 4.638 3.960 -0.000 0.000 0.299 373 G C -1.477 173.398 174.900 -0.043 0.000 1.298 373 G CA -0.996 44.115 45.100 0.017 0.000 0.952 373 G HN 0.848 nan 8.290 nan 0.000 0.477 374 I N -1.430 119.092 120.570 -0.080 0.000 3.002 374 I HA 0.897 5.067 4.170 -0.000 0.000 0.310 374 I C 0.927 177.087 176.117 0.071 0.000 1.087 374 I CA -0.399 60.891 61.300 -0.017 0.000 1.017 374 I CB 1.889 39.802 38.000 -0.144 0.000 1.226 374 I HN 1.325 nan 8.210 nan 0.000 0.443 375 G N 2.765 111.639 108.800 0.124 0.000 2.614 375 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.303 375 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.303 375 G C 0.364 175.385 174.900 0.202 0.000 1.270 375 G CA 0.894 46.110 45.100 0.193 0.000 0.988 375 G HN 0.838 nan 8.290 nan 0.000 0.551 376 D N 0.827 121.358 120.400 0.218 0.000 2.218 376 D HA -0.006 4.633 4.640 -0.000 0.000 0.204 376 D C 2.072 178.478 176.300 0.177 0.000 0.976 376 D CA 1.352 55.468 54.000 0.192 0.000 0.853 376 D CB -0.315 40.596 40.800 0.184 0.000 0.939 376 D HN 0.417 nan 8.370 nan 0.000 0.481 377 D N 0.531 121.020 120.400 0.149 0.000 2.104 377 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 377 D C 2.034 178.498 176.300 0.274 0.000 0.994 377 D CA 1.286 55.373 54.000 0.144 0.000 0.830 377 D CB -0.253 40.615 40.800 0.112 0.000 0.959 377 D HN 0.155 nan 8.370 nan 0.000 0.452 378 A N 1.309 124.289 122.820 0.268 0.000 1.902 378 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 378 A C 1.950 179.741 177.584 0.345 0.000 1.181 378 A CA 1.319 53.562 52.037 0.343 0.000 0.623 378 A CB -0.471 18.681 19.000 0.254 0.000 0.818 378 A HN 0.118 nan 8.150 nan 0.000 0.443 379 N N -0.952 117.895 118.700 0.246 0.000 2.289 379 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 379 N C 1.295 176.892 175.510 0.146 0.000 1.016 379 N CA 1.129 54.290 53.050 0.184 0.000 0.872 379 N CB -0.617 37.961 38.487 0.151 0.000 0.973 379 N HN 0.545 nan 8.380 nan 0.000 0.433 380 F N 0.852 120.795 119.950 -0.012 0.000 2.120 380 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 380 F C 1.476 177.129 175.800 -0.246 0.000 1.095 380 F CA 1.476 59.356 58.000 -0.201 0.000 1.249 380 F CB -0.366 38.389 39.000 -0.410 0.000 0.995 380 F HN -0.072 nan 8.300 nan 0.000 0.480 381 F N -0.328 119.669 119.950 0.079 0.000 2.797 381 F HA 0.044 4.571 4.527 -0.000 0.000 0.302 381 F C 2.327 178.099 175.800 -0.046 0.000 1.130 381 F CA 0.461 58.453 58.000 -0.014 0.000 1.387 381 F CB -0.668 38.369 39.000 0.063 0.000 1.107 381 F HN 0.044 nan 8.300 nan 0.000 0.577 382 Q N 0.845 120.717 119.800 0.120 0.000 2.084 382 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 382 Q C 2.187 178.211 176.000 0.040 0.000 0.978 382 Q CA 1.603 57.460 55.803 0.090 0.000 0.844 382 Q CB -0.093 28.690 28.738 0.075 0.000 0.898 382 Q HN 0.381 nan 8.270 nan 0.000 0.426 383 A N -0.224 122.589 122.820 -0.012 0.000 2.218 383 A HA 0.207 4.526 4.320 -0.000 0.000 0.209 383 A C 0.467 178.041 177.584 -0.017 0.000 1.168 383 A CA -0.128 51.896 52.037 -0.022 0.000 0.804 383 A CB 0.084 19.052 19.000 -0.053 0.000 0.834 383 A HN 0.273 nan 8.150 nan 0.000 0.482 384 L N 1.477 122.697 121.223 -0.005 0.000 2.334 384 L HA 0.286 4.626 4.340 -0.000 0.000 0.277 384 L C 0.075 176.981 176.870 0.061 0.000 1.075 384 L CA -1.005 53.844 54.840 0.015 0.000 0.804 384 L CB 0.933 43.004 42.059 0.019 0.000 1.174 384 L HN 0.394 nan 8.230 nan 0.000 0.438 385 D N 0.966 121.408 120.400 0.069 0.000 2.371 385 D HA -0.093 4.547 4.640 -0.000 0.000 0.242 385 D C 0.888 177.281 176.300 0.154 0.000 1.218 385 D CA -0.133 53.934 54.000 0.111 0.000 0.945 385 D CB 0.568 41.431 40.800 0.104 0.000 1.137 385 D HN 0.427 nan 8.370 nan 0.000 0.464 386 F N 0.496 120.470 119.950 0.039 0.000 2.069 386 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 386 F C 2.025 177.863 175.800 0.063 0.000 1.113 386 F CA 1.674 59.698 58.000 0.039 0.000 1.214 386 F CB 0.012 39.033 39.000 0.036 0.000 0.978 386 F HN 0.135 nan 8.300 nan 0.000 0.474 387 K N 0.615 121.222 120.400 0.344 0.000 2.097 387 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 387 K C 1.670 178.361 176.600 0.151 0.000 1.050 387 K CA 1.522 57.962 56.287 0.256 0.000 0.938 387 K CB -0.834 31.800 32.500 0.224 0.000 0.718 387 K HN 0.308 nan 8.250 nan 0.000 0.442 388 D N -0.436 120.038 120.400 0.123 0.000 2.149 388 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 388 D C 1.885 178.262 176.300 0.129 0.000 0.972 388 D CA 0.731 54.796 54.000 0.109 0.000 0.835 388 D CB -0.351 40.496 40.800 0.080 0.000 0.966 388 D HN 0.095 nan 8.370 nan 0.000 0.476 389 C N 1.265 120.626 119.300 0.101 0.000 2.432 389 C HA -0.074 4.385 4.460 -0.000 0.000 0.277 389 C C 2.947 177.929 174.990 -0.013 0.000 1.249 389 C CA 0.927 60.011 59.018 0.110 0.000 1.725 389 C CB -1.014 26.668 27.740 -0.098 0.000 2.028 389 C HN 0.370 nan 8.230 nan 0.000 0.477 390 A N 0.382 123.131 122.820 -0.119 0.000 1.908 390 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 390 A C 1.814 179.441 177.584 0.072 0.000 1.181 390 A CA 2.436 54.390 52.037 -0.137 0.000 0.627 390 A CB -0.827 18.153 19.000 -0.033 0.000 0.818 390 A HN 0.614 nan 8.150 nan 0.000 0.445 391 D N -0.237 120.285 120.400 0.204 0.000 2.123 391 D HA -0.145 4.495 4.640 -0.000 0.000 0.196 391 D C 1.699 178.126 176.300 0.211 0.000 0.992 391 D CA 1.528 55.686 54.000 0.264 0.000 0.833 391 D CB -0.232 40.674 40.800 0.176 0.000 0.954 391 D HN 0.507 nan 8.370 nan 0.000 0.455 392 I N -0.408 120.274 120.570 0.186 0.000 2.163 392 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 392 I C 2.389 178.587 176.117 0.136 0.000 1.085 392 I CA 0.696 62.117 61.300 0.201 0.000 1.347 392 I CB -0.252 37.966 38.000 0.363 0.000 1.044 392 I HN 0.004 nan 8.210 nan 0.000 0.408 393 V N 0.348 120.290 119.914 0.047 0.000 2.358 393 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 393 V C 2.270 178.317 176.094 -0.077 0.000 1.047 393 V CA 1.802 64.053 62.300 -0.082 0.000 1.035 393 V CB -0.709 30.953 31.823 -0.269 0.000 0.658 393 V HN 0.207 nan 8.190 nan 0.000 0.452 394 F N 1.042 120.996 119.950 0.007 0.000 2.095 394 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 394 F C 2.410 178.191 175.800 -0.031 0.000 1.104 394 F CA 1.631 59.623 58.000 -0.014 0.000 1.232 394 F CB -0.944 38.044 39.000 -0.020 0.000 0.987 394 F HN 0.193 nan 8.300 nan 0.000 0.475 395 N N 0.480 119.286 118.700 0.177 0.000 2.061 395 N HA -0.182 4.558 4.740 -0.000 0.000 0.193 395 N C 1.467 176.982 175.510 0.009 0.000 1.030 395 N CA 1.772 54.864 53.050 0.071 0.000 0.856 395 N CB -0.680 37.847 38.487 0.067 0.000 1.023 395 N HN 0.251 nan 8.380 nan 0.000 0.424 396 D N 0.618 121.025 120.400 0.013 0.000 2.117 396 D HA -0.044 4.596 4.640 -0.000 0.000 0.198 396 D C 2.212 178.472 176.300 -0.067 0.000 0.982 396 D CA 0.419 54.394 54.000 -0.041 0.000 0.828 396 D CB -0.383 40.411 40.800 -0.010 0.000 0.967 396 D HN 0.223 nan 8.370 nan 0.000 0.464 397 L N 0.414 121.651 121.223 0.024 0.000 2.083 397 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 397 L C 2.523 179.423 176.870 0.050 0.000 1.083 397 L CA 0.938 55.857 54.840 0.131 0.000 0.752 397 L CB -0.426 41.751 42.059 0.197 0.000 0.899 397 L HN 0.019 nan 8.230 nan 0.000 0.433 398 S N 0.157 115.841 115.700 -0.026 0.000 2.370 398 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 398 S C 1.975 176.465 174.600 -0.183 0.000 1.033 398 S CA 1.357 59.502 58.200 -0.091 0.000 1.011 398 S CB -0.162 62.992 63.200 -0.076 0.000 0.852 398 S HN 0.308 nan 8.310 nan 0.000 0.457 399 L N 0.454 121.504 121.223 -0.289 0.000 2.044 399 L HA 0.012 4.352 4.340 -0.000 0.000 0.205 399 L C 2.443 178.823 176.870 -0.816 0.000 1.075 399 L CA 1.137 55.630 54.840 -0.578 0.000 0.747 399 L CB -0.502 41.102 42.059 -0.759 0.000 0.903 399 L HN 0.331 nan 8.230 nan 0.000 0.435 400 I N -0.896 119.267 120.570 -0.678 0.000 2.226 400 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 400 I C 2.228 177.855 176.117 -0.816 0.000 1.100 400 I CA 1.313 62.227 61.300 -0.643 0.000 1.374 400 I CB -0.311 37.510 38.000 -0.299 0.000 1.057 400 I HN 0.329 nan 8.210 nan 0.000 0.413 401 H N -0.043 118.826 119.070 -0.334 0.000 2.551 401 H HA 0.141 4.697 4.556 -0.000 0.000 0.271 401 H C 0.364 175.555 175.328 -0.229 0.000 0.984 401 H CA 0.083 56.002 56.048 -0.215 0.000 1.164 401 H CB 0.384 30.264 29.762 0.195 0.000 1.437 401 H HN 0.334 nan 8.280 nan 0.000 0.550 402 Q N 0.880 120.552 119.800 -0.213 0.000 2.453 402 Q HA -0.166 4.174 4.340 -0.000 0.000 0.330 402 Q C -1.236 174.723 176.000 -0.068 0.000 1.417 402 Q CA 0.110 55.814 55.803 -0.166 0.000 0.902 402 Q CB -1.187 27.434 28.738 -0.195 0.000 1.154 402 Q HN 0.395 nan 8.270 nan 0.000 0.395 403 L N 0.538 121.722 121.223 -0.065 0.000 2.370 403 L HA 0.653 4.993 4.340 -0.000 0.000 0.266 403 L C -2.151 174.650 176.870 -0.115 0.000 1.002 403 L CA -2.501 52.298 54.840 -0.069 0.000 0.818 403 L CB 1.816 43.825 42.059 -0.085 0.000 1.325 403 L HN 0.034 nan 8.230 nan 0.000 0.418 404 P HA 0.014 nan 4.420 nan 0.000 0.265 404 P C 0.160 177.346 177.300 -0.190 0.000 1.193 404 P CA -0.078 62.938 63.100 -0.139 0.000 0.765 404 P CB 0.702 32.321 31.700 -0.135 0.000 0.823 405 K N 3.734 124.039 120.400 -0.159 0.000 2.074 405 K HA -0.237 4.083 4.320 -0.000 0.000 0.209 405 K C 1.491 177.924 176.600 -0.278 0.000 1.048 405 K CA 1.745 57.928 56.287 -0.172 0.000 0.926 405 K CB -0.080 32.347 32.500 -0.122 0.000 0.713 405 K HN 0.257 nan 8.250 nan 0.000 0.444 406 K N 0.207 120.455 120.400 -0.255 0.000 2.152 406 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 406 K C 1.648 178.025 176.600 -0.373 0.000 1.048 406 K CA 1.760 57.877 56.287 -0.283 0.000 0.933 406 K CB -0.018 32.361 32.500 -0.202 0.000 0.721 406 K HN 0.235 nan 8.250 nan 0.000 0.447 407 D N 0.664 120.801 120.400 -0.439 0.000 2.097 407 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 407 D C 1.779 177.422 176.300 -1.095 0.000 0.984 407 D CA 0.969 54.508 54.000 -0.768 0.000 0.826 407 D CB -0.127 40.267 40.800 -0.678 0.000 0.973 407 D HN 0.152 nan 8.370 nan 0.000 0.460 408 I N 0.686 120.851 120.570 -0.675 0.000 2.264 408 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 408 I C 2.146 178.160 176.117 -0.171 0.000 1.111 408 I CA 1.098 62.166 61.300 -0.387 0.000 1.382 408 I CB -0.302 37.590 38.000 -0.180 0.000 1.060 408 I HN -0.007 nan 8.210 nan 0.000 0.418 409 Q N -0.343 119.199 119.800 -0.430 0.000 2.364 409 Q HA -0.138 4.202 4.340 -0.000 0.000 0.207 409 Q C 2.290 178.163 176.000 -0.212 0.000 0.970 409 Q CA 1.328 56.805 55.803 -0.542 0.000 0.888 409 Q CB 0.008 28.317 28.738 -0.716 0.000 0.951 409 Q HN 0.418 nan 8.270 nan 0.000 0.469 410 S N -0.689 114.870 115.700 -0.235 0.000 2.441 410 S HA 0.000 4.470 4.470 -0.000 0.000 0.224 410 S C 1.403 176.085 174.600 0.136 0.000 1.043 410 S CA 0.090 58.235 58.200 -0.091 0.000 0.948 410 S CB 0.068 63.169 63.200 -0.166 0.000 0.810 410 S HN 0.253 nan 8.310 nan 0.000 0.504 411 F N 2.075 122.074 119.950 0.081 0.000 2.186 411 F HA 0.231 4.758 4.527 -0.000 0.000 0.299 411 F C 1.369 177.305 175.800 0.227 0.000 1.090 411 F CA -0.801 57.288 58.000 0.148 0.000 1.307 411 F CB -1.081 38.030 39.000 0.186 0.000 1.019 411 F HN 0.235 nan 8.300 nan 0.000 0.489 412 c N -1.543 117.341 118.600 0.473 0.000 2.889 412 c HA 0.670 5.240 4.570 -0.000 0.000 0.307 412 c C -0.724 173.663 174.090 0.496 0.000 1.251 412 c CA -1.077 55.517 56.329 0.441 0.000 1.593 412 c CB 1.274 44.075 42.510 0.486 0.000 2.104 412 c HN 0.362 nan 8.230 nan 0.000 0.476 413 Y N -0.246 120.217 120.300 0.272 0.000 2.553 413 Y HA 0.764 5.314 4.550 -0.000 0.000 0.347 413 Y C -3.090 172.936 175.900 0.210 0.000 1.019 413 Y CA -3.221 55.062 58.100 0.304 0.000 1.032 413 Y CB 0.817 39.404 38.460 0.211 0.000 1.284 413 Y HN 0.450 nan 8.280 nan 0.000 0.466 414 P HA 0.119 nan 4.420 nan 0.000 0.281 414 P C 0.034 177.461 177.300 0.213 0.000 1.286 414 P CA 0.002 63.126 63.100 0.041 0.000 0.772 414 P CB 1.600 33.327 31.700 0.045 0.000 0.862 415 S N 2.716 118.377 115.700 -0.065 0.000 2.502 415 S HA 0.192 4.662 4.470 -0.000 0.000 0.228 415 S C 0.608 175.310 174.600 0.170 0.000 1.061 415 S CA 0.165 58.392 58.200 0.046 0.000 0.935 415 S CB -0.004 62.999 63.200 -0.328 0.000 0.809 415 S HN 0.276 nan 8.310 nan 0.000 0.510 416 V N 1.498 121.481 119.914 0.115 0.000 2.932 416 V HA 0.555 4.675 4.120 -0.000 0.000 0.307 416 V C -1.236 174.960 176.094 0.169 0.000 1.147 416 V CA -0.826 61.498 62.300 0.041 0.000 0.951 416 V CB 1.894 33.531 31.823 -0.310 0.000 1.031 416 V HN 0.375 nan 8.190 nan 0.000 0.426 417 I N 3.046 123.702 120.570 0.143 0.000 2.447 417 I HA 0.510 4.680 4.170 -0.000 0.000 0.287 417 I C -0.868 175.239 176.117 -0.016 0.000 1.023 417 I CA -0.584 60.702 61.300 -0.023 0.000 1.083 417 I CB 2.134 39.983 38.000 -0.252 0.000 1.245 417 I HN 0.647 nan 8.210 nan 0.000 0.434 418 Q N 6.695 126.469 119.800 -0.044 0.000 2.357 418 Q HA 0.358 4.698 4.340 -0.000 0.000 0.266 418 Q C -1.366 174.467 176.000 -0.277 0.000 1.021 418 Q CA -0.423 55.238 55.803 -0.235 0.000 0.784 418 Q CB 1.174 29.750 28.738 -0.271 0.000 1.243 418 Q HN 0.394 nan 8.270 nan 0.000 0.465 419 K N 3.795 124.042 120.400 -0.256 0.000 2.347 419 K HA 0.162 4.481 4.320 -0.000 0.000 0.262 419 K C -0.194 176.336 176.600 -0.116 0.000 1.052 419 K CA -0.245 55.980 56.287 -0.103 0.000 0.946 419 K CB 0.586 33.072 32.500 -0.023 0.000 1.220 419 K HN 0.717 nan 8.250 nan 0.000 0.450 420 W N 1.032 122.374 121.300 0.070 0.000 2.374 420 W HA -0.154 4.506 4.660 -0.000 0.000 0.288 420 W C 1.810 178.353 176.519 0.041 0.000 1.218 420 W CA 0.753 58.136 57.345 0.062 0.000 1.245 420 W CB 0.193 29.699 29.460 0.076 0.000 1.126 420 W HN 0.469 nan 8.180 nan 0.000 0.545 421 S N 0.373 116.219 115.700 0.244 0.000 2.500 421 S HA -0.059 4.411 4.470 -0.000 0.000 0.239 421 S C 1.395 176.039 174.600 0.074 0.000 0.989 421 S CA 0.715 58.999 58.200 0.140 0.000 0.951 421 S CB -0.296 62.978 63.200 0.124 0.000 0.759 421 S HN 0.228 nan 8.310 nan 0.000 0.523 422 L N 0.710 121.964 121.223 0.051 0.000 2.728 422 L HA 0.256 4.596 4.340 -0.000 0.000 0.238 422 L C 0.549 177.404 176.870 -0.025 0.000 1.143 422 L CA -0.113 54.728 54.840 0.002 0.000 0.937 422 L CB 0.008 42.061 42.059 -0.011 0.000 1.225 422 L HN 0.171 nan 8.230 nan 0.000 0.507 423 D N 2.470 122.881 120.400 0.018 0.000 2.371 423 D HA -0.029 4.610 4.640 -0.000 0.000 0.256 423 D C 1.014 177.296 176.300 -0.030 0.000 1.193 423 D CA -0.050 53.960 54.000 0.017 0.000 0.881 423 D CB 1.317 42.242 40.800 0.208 0.000 1.143 423 D HN 0.317 nan 8.370 nan 0.000 0.473 424 K N 3.051 123.345 120.400 -0.176 0.000 2.362 424 K HA -0.176 4.144 4.320 -0.000 0.000 0.200 424 K C 0.678 177.047 176.600 -0.386 0.000 1.046 424 K CA 1.099 57.193 56.287 -0.321 0.000 0.952 424 K CB -0.035 32.174 32.500 -0.485 0.000 0.753 424 K HN 0.420 nan 8.250 nan 0.000 0.466 425 Y N 0.763 121.102 120.300 0.065 0.000 2.396 425 Y HA 0.289 4.839 4.550 -0.000 0.000 0.292 425 Y C 2.739 178.673 175.900 0.057 0.000 1.128 425 Y CA 0.318 58.457 58.100 0.066 0.000 1.194 425 Y CB -0.439 38.072 38.460 0.085 0.000 1.124 425 Y HN 0.110 nan 8.280 nan 0.000 0.543 426 A N 0.094 123.050 122.820 0.226 0.000 1.898 426 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 426 A C 1.496 179.061 177.584 -0.032 0.000 1.181 426 A CA 1.811 53.924 52.037 0.127 0.000 0.620 426 A CB -0.666 18.462 19.000 0.212 0.000 0.819 426 A HN 0.500 nan 8.150 nan 0.000 0.442 427 M N -2.967 116.625 119.600 -0.014 0.000 2.872 427 M HA -0.190 4.290 4.480 -0.000 0.000 0.200 427 M C 0.371 176.567 176.300 -0.174 0.000 0.582 427 M CA 0.659 55.905 55.300 -0.089 0.000 0.706 427 M CB -2.170 30.362 32.600 -0.114 0.000 2.560 427 M HN 1.009 nan 8.290 nan 0.000 0.476 428 G N -1.776 106.948 108.800 -0.126 0.000 2.338 428 G HA2 0.522 4.482 3.960 -0.000 0.000 0.295 428 G HA3 0.522 4.482 3.960 -0.000 0.000 0.295 428 G C -0.038 174.922 174.900 0.099 0.000 1.461 428 G CA -0.288 44.739 45.100 -0.122 0.000 0.817 428 G HN 0.299 nan 8.290 nan 0.000 0.556 429 G N -0.964 107.972 108.800 0.227 0.000 2.670 429 G HA2 0.463 4.423 3.960 -0.000 0.000 0.219 429 G HA3 0.463 4.423 3.960 -0.000 0.000 0.219 429 G C 0.300 175.299 174.900 0.166 0.000 1.342 429 G CA 0.291 45.524 45.100 0.222 0.000 0.902 429 G HN 0.710 nan 8.290 nan 0.000 0.553 430 I N 0.943 121.614 120.570 0.169 0.000 2.498 430 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 430 I C -0.494 175.529 176.117 -0.157 0.000 1.032 430 I CA -0.642 60.672 61.300 0.023 0.000 1.073 430 I CB 2.448 40.423 38.000 -0.042 0.000 1.251 430 I HN -0.007 nan 8.210 nan 0.000 0.426 431 T N 4.085 118.359 114.554 -0.467 0.000 2.866 431 T HA 0.101 4.451 4.350 -0.000 0.000 0.293 431 T C -0.005 174.372 174.700 -0.538 0.000 1.005 431 T CA 0.425 61.951 62.100 -0.956 0.000 1.162 431 T CB -0.084 68.211 68.868 -0.955 0.000 0.968 431 T HN 0.597 nan 8.240 nan 0.000 0.530 432 T N 4.643 119.006 114.554 -0.318 0.000 3.187 432 T HA 0.298 4.648 4.350 -0.000 0.000 0.328 432 T C -0.582 174.295 174.700 0.296 0.000 0.951 432 T CA -0.660 61.461 62.100 0.034 0.000 1.049 432 T CB 0.090 69.046 68.868 0.145 0.000 1.015 432 T HN 0.286 nan 8.240 nan 0.000 0.461 433 F N 3.873 123.812 119.950 -0.019 0.000 2.504 433 F HA 0.296 4.823 4.527 -0.000 0.000 0.369 433 F C 1.788 177.639 175.800 0.085 0.000 1.082 433 F CA -1.049 56.917 58.000 -0.056 0.000 1.216 433 F CB 0.181 38.913 39.000 -0.446 0.000 1.108 433 F HN 0.479 nan 8.300 nan 0.000 0.554 434 T N 2.054 116.764 114.554 0.259 0.000 2.788 434 T HA 0.368 4.718 4.350 -0.000 0.000 0.280 434 T C -2.640 172.178 174.700 0.195 0.000 0.984 434 T CA -2.114 60.102 62.100 0.194 0.000 0.972 434 T CB 0.769 69.711 68.868 0.123 0.000 1.039 434 T HN 0.167 nan 8.240 nan 0.000 0.530 435 P HA 0.078 nan 4.420 nan 0.000 0.265 435 P C -0.281 177.129 177.300 0.184 0.000 1.187 435 P CA 0.363 63.562 63.100 0.166 0.000 0.766 435 P CB -0.226 31.588 31.700 0.188 0.000 0.820 436 Y N -0.682 119.572 120.300 -0.077 0.000 4.779 436 Y HA -0.337 4.213 4.550 -0.000 0.000 0.284 436 Y C 1.919 177.545 175.900 -0.457 0.000 0.973 436 Y CA 1.406 59.293 58.100 -0.354 0.000 1.792 436 Y CB -2.154 35.996 38.460 -0.517 0.000 1.120 436 Y HN 0.446 nan 8.280 nan 0.000 0.450 437 Q N -0.585 119.095 119.800 -0.201 0.000 2.119 437 Q HA -0.125 4.215 4.340 -0.000 0.000 0.201 437 Q C 1.620 177.362 176.000 -0.430 0.000 0.972 437 Q CA 1.726 57.228 55.803 -0.500 0.000 0.847 437 Q CB -0.300 28.096 28.738 -0.571 0.000 0.903 437 Q HN 0.561 nan 8.270 nan 0.000 0.433 438 F N 1.874 121.873 119.950 0.081 0.000 2.095 438 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 438 F C 2.708 178.561 175.800 0.088 0.000 1.104 438 F CA 1.942 60.119 58.000 0.294 0.000 1.232 438 F CB -0.448 38.727 39.000 0.292 0.000 0.987 438 F HN 0.191 nan 8.300 nan 0.000 0.475 439 Q N -1.163 118.720 119.800 0.138 0.000 2.187 439 Q HA -0.150 4.190 4.340 -0.000 0.000 0.199 439 Q C 1.598 177.645 176.000 0.079 0.000 0.957 439 Q CA 1.469 57.311 55.803 0.065 0.000 0.857 439 Q CB -0.586 28.137 28.738 -0.024 0.000 0.929 439 Q HN 0.404 nan 8.270 nan 0.000 0.453 440 H N -0.767 118.206 119.070 -0.161 0.000 2.448 440 H HA 0.091 4.647 4.556 -0.000 0.000 0.292 440 H C 0.835 176.046 175.328 -0.195 0.000 1.035 440 H CA 0.640 56.496 56.048 -0.320 0.000 1.349 440 H CB 0.199 29.521 29.762 -0.732 0.000 1.425 440 H HN 0.283 nan 8.280 nan 0.000 0.539 441 F N -0.573 119.375 119.950 -0.004 0.000 2.724 441 F HA 0.208 4.735 4.527 -0.000 0.000 0.306 441 F C 2.290 178.084 175.800 -0.009 0.000 1.100 441 F CA -0.154 57.782 58.000 -0.106 0.000 1.255 441 F CB -0.160 38.644 39.000 -0.326 0.000 1.072 441 F HN -0.092 nan 8.300 nan 0.000 0.589 442 S N 0.469 116.324 115.700 0.259 0.000 2.353 442 S HA -0.193 4.277 4.470 -0.000 0.000 0.222 442 S C 1.605 176.335 174.600 0.216 0.000 1.035 442 S CA 1.916 60.301 58.200 0.308 0.000 1.025 442 S CB -0.248 63.168 63.200 0.361 0.000 0.902 442 S HN 0.291 nan 8.310 nan 0.000 0.440 443 D N 1.015 121.521 120.400 0.175 0.000 2.097 443 D HA -0.022 4.617 4.640 -0.000 0.000 0.197 443 D C -0.707 175.651 176.300 0.096 0.000 0.984 443 D CA 1.082 55.159 54.000 0.127 0.000 0.826 443 D CB -1.758 39.108 40.800 0.109 0.000 0.973 443 D HN 0.315 nan 8.370 nan 0.000 0.460 444 P HA -0.057 nan 4.420 nan 0.000 0.218 444 P C 1.726 179.013 177.300 -0.022 0.000 1.149 444 P CA 0.745 63.864 63.100 0.032 0.000 0.817 444 P CB -0.022 31.709 31.700 0.052 0.000 0.785 445 L N -0.862 120.387 121.223 0.044 0.000 2.056 445 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 445 L C 2.419 179.309 176.870 0.034 0.000 1.078 445 L CA 2.179 57.060 54.840 0.069 0.000 0.749 445 L CB -1.601 40.605 42.059 0.245 0.000 0.901 445 L HN 0.126 nan 8.230 nan 0.000 0.433 446 T N -2.598 111.998 114.554 0.070 0.000 3.067 446 T HA 0.227 4.577 4.350 -0.000 0.000 0.261 446 T C 0.977 175.738 174.700 0.100 0.000 1.110 446 T CA 0.235 62.385 62.100 0.083 0.000 1.113 446 T CB -0.232 68.694 68.868 0.097 0.000 0.917 446 T HN 0.196 nan 8.240 nan 0.000 0.499 447 A N 2.571 125.425 122.820 0.057 0.000 2.540 447 A HA 0.495 4.815 4.320 -0.000 0.000 0.239 447 A C 0.884 178.515 177.584 0.079 0.000 1.061 447 A CA -0.218 51.846 52.037 0.046 0.000 0.758 447 A CB -0.117 18.888 19.000 0.009 0.000 0.991 447 A HN 0.719 nan 8.150 nan 0.000 0.502 448 S N 1.736 117.430 115.700 -0.011 0.000 2.632 448 S HA 0.490 4.960 4.470 -0.000 0.000 0.267 448 S C -0.202 174.345 174.600 -0.088 0.000 1.276 448 S CA -0.492 57.599 58.200 -0.181 0.000 0.998 448 S CB 1.089 63.778 63.200 -0.852 0.000 0.953 448 S HN 0.808 nan 8.310 nan 0.000 0.547 449 Q N 0.609 120.377 119.800 -0.053 0.000 2.397 449 Q HA 0.496 4.836 4.340 -0.000 0.000 0.260 449 Q C 0.649 176.638 176.000 -0.019 0.000 1.002 449 Q CA 0.122 55.923 55.803 -0.002 0.000 0.716 449 Q CB 0.459 29.235 28.738 0.063 0.000 1.258 449 Q HN 1.268 nan 8.270 nan 0.000 0.477 450 G N 3.442 112.229 108.800 -0.021 0.000 2.596 450 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.304 450 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.304 450 G C 0.330 175.255 174.900 0.042 0.000 1.189 450 G CA 0.411 45.523 45.100 0.020 0.000 0.986 450 G HN 0.686 nan 8.290 nan 0.000 0.548 451 R N 0.141 120.701 120.500 0.100 0.000 2.388 451 R HA 0.386 4.726 4.340 -0.000 0.000 0.247 451 R C 0.329 176.813 176.300 0.308 0.000 0.931 451 R CA -0.021 56.238 56.100 0.264 0.000 1.082 451 R CB 0.038 30.350 30.300 0.019 0.000 1.135 451 R HN 0.426 nan 8.270 nan 0.000 0.525 452 I N 1.088 121.709 120.570 0.085 0.000 2.330 452 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 452 I C -0.610 175.370 176.117 -0.229 0.000 1.001 452 I CA -0.771 60.529 61.300 0.000 0.000 1.193 452 I CB 0.709 38.715 38.000 0.009 0.000 1.345 452 I HN -0.103 nan 8.210 nan 0.000 0.461 453 Y N 5.431 125.602 120.300 -0.214 0.000 2.534 453 Y HA 0.631 5.181 4.550 -0.000 0.000 0.329 453 Y C -0.476 175.154 175.900 -0.450 0.000 1.154 453 Y CA -0.767 57.247 58.100 -0.143 0.000 1.192 453 Y CB 1.540 39.969 38.460 -0.051 0.000 1.275 453 Y HN 0.275 nan 8.280 nan 0.000 0.491 454 F N 0.395 120.451 119.950 0.177 0.000 2.556 454 F HA 0.780 5.307 4.527 -0.000 0.000 0.314 454 F C -0.067 175.755 175.800 0.036 0.000 1.106 454 F CA -0.722 57.344 58.000 0.111 0.000 0.911 454 F CB 1.895 40.950 39.000 0.092 0.000 1.190 454 F HN 0.536 nan 8.300 nan 0.000 0.448 455 A N 1.409 124.320 122.820 0.151 0.000 2.552 455 A HA 1.005 5.325 4.320 -0.000 0.000 0.288 455 A C -0.375 177.175 177.584 -0.056 0.000 1.193 455 A CA -0.407 51.634 52.037 0.007 0.000 0.713 455 A CB 1.605 20.611 19.000 0.010 0.000 1.305 455 A HN 1.736 nan 8.150 nan 0.000 0.424 456 G N -1.054 107.690 108.800 -0.094 0.000 2.362 456 G HA2 0.244 4.204 3.960 -0.000 0.000 0.656 456 G HA3 0.244 4.204 3.960 -0.000 0.000 0.656 456 G C 0.283 175.124 174.900 -0.098 0.000 1.376 456 G CA 0.378 45.449 45.100 -0.049 0.000 0.971 456 G HN 1.110 nan 8.290 nan 0.000 0.636 457 E N -0.744 119.478 120.200 0.037 0.000 2.114 457 E HA -0.280 4.070 4.350 -0.000 0.000 0.199 457 E C 2.081 178.721 176.600 0.066 0.000 1.008 457 E CA 2.563 59.002 56.400 0.065 0.000 0.810 457 E CB -0.267 29.487 29.700 0.089 0.000 0.739 457 E HN 0.802 nan 8.360 nan 0.000 0.456 458 Y N -0.051 120.279 120.300 0.050 0.000 2.497 458 Y HA 0.007 4.557 4.550 -0.000 0.000 0.292 458 Y C 2.150 178.144 175.900 0.156 0.000 1.137 458 Y CA 1.241 59.342 58.100 0.002 0.000 1.285 458 Y CB -0.831 37.664 38.460 0.059 0.000 0.991 458 Y HN 0.023 nan 8.280 nan 0.000 0.556 459 T N -1.992 112.285 114.554 -0.462 0.000 3.081 459 T HA 0.507 4.857 4.350 -0.000 0.000 0.250 459 T C 0.909 175.589 174.700 -0.033 0.000 1.100 459 T CA 0.052 62.007 62.100 -0.241 0.000 1.038 459 T CB -0.523 68.139 68.868 -0.344 0.000 0.962 459 T HN 0.462 nan 8.240 nan 0.000 0.516 460 A N 1.125 123.944 122.820 -0.001 0.000 2.313 460 A HA 0.505 4.825 4.320 -0.000 0.000 0.261 460 A C 1.360 178.953 177.584 0.015 0.000 1.090 460 A CA -0.453 51.589 52.037 0.008 0.000 0.807 460 A CB 0.394 19.403 19.000 0.014 0.000 1.055 460 A HN 0.303 nan 8.150 nan 0.000 0.492 461 Q N -0.245 119.548 119.800 -0.011 0.000 2.124 461 Q HA 0.113 4.453 4.340 -0.000 0.000 0.202 461 Q C 0.542 176.470 176.000 -0.121 0.000 0.977 461 Q CA 1.792 57.585 55.803 -0.017 0.000 0.850 461 Q CB -0.080 28.652 28.738 -0.009 0.000 0.901 461 Q HN 0.916 nan 8.270 nan 0.000 0.429 462 A N -0.629 122.103 122.820 -0.147 0.000 2.401 462 A HA 0.603 4.923 4.320 -0.000 0.000 0.310 462 A C -1.425 176.064 177.584 -0.159 0.000 1.075 462 A CA -0.852 51.052 52.037 -0.222 0.000 0.746 462 A CB 0.830 19.805 19.000 -0.041 0.000 1.277 462 A HN 0.248 nan 8.150 nan 0.000 0.425 463 H N -0.171 118.883 119.070 -0.026 0.000 2.502 463 H HA 0.569 5.125 4.556 -0.000 0.000 0.338 463 H C 1.073 176.341 175.328 -0.100 0.000 1.155 463 H CA 0.040 56.031 56.048 -0.096 0.000 1.237 463 H CB 1.498 31.128 29.762 -0.220 0.000 1.534 463 H HN 1.595 nan 8.280 nan 0.000 0.523 464 G N 1.000 109.774 108.800 -0.043 0.000 2.137 464 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.237 464 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.237 464 G C -0.742 173.761 174.900 -0.662 0.000 1.002 464 G CA -0.136 44.772 45.100 -0.320 0.000 0.702 464 G HN 0.577 nan 8.290 nan 0.000 0.515 465 W N -1.225 120.124 121.300 0.082 0.000 2.900 465 W HA 0.642 5.302 4.660 -0.000 0.000 0.336 465 W C 1.232 177.754 176.519 0.005 0.000 1.064 465 W CA -1.263 56.127 57.345 0.075 0.000 1.237 465 W CB 0.719 30.246 29.460 0.110 0.000 1.391 465 W HN -0.047 nan 8.180 nan 0.000 0.468 466 I N 1.042 121.767 120.570 0.259 0.000 2.194 466 I HA -0.353 3.817 4.170 -0.000 0.000 0.246 466 I C 2.061 178.232 176.117 0.090 0.000 1.093 466 I CA 2.009 63.389 61.300 0.134 0.000 1.355 466 I CB -0.227 37.848 38.000 0.125 0.000 1.046 466 I HN 0.577 nan 8.210 nan 0.000 0.413 467 D N 0.049 120.489 120.400 0.067 0.000 2.116 467 D HA -0.235 4.405 4.640 -0.000 0.000 0.193 467 D C 2.299 178.556 176.300 -0.072 0.000 0.998 467 D CA 1.807 55.759 54.000 -0.080 0.000 0.836 467 D CB 0.022 40.541 40.800 -0.468 0.000 0.951 467 D HN 0.127 nan 8.370 nan 0.000 0.449 468 S N -1.732 113.923 115.700 -0.076 0.000 2.387 468 S HA -0.106 4.364 4.470 -0.000 0.000 0.226 468 S C 1.930 176.517 174.600 -0.022 0.000 1.026 468 S CA 1.591 59.768 58.200 -0.038 0.000 0.972 468 S CB -0.465 62.734 63.200 -0.002 0.000 0.814 468 S HN 0.323 nan 8.310 nan 0.000 0.477 469 T N 2.557 117.117 114.554 0.010 0.000 2.708 469 T HA -0.004 4.346 4.350 -0.000 0.000 0.266 469 T C 1.691 176.369 174.700 -0.036 0.000 1.037 469 T CA 1.512 63.609 62.100 -0.005 0.000 1.146 469 T CB -0.379 68.501 68.868 0.019 0.000 0.865 469 T HN 0.376 nan 8.240 nan 0.000 0.435 470 I N 0.828 121.379 120.570 -0.031 0.000 2.163 470 I HA -0.222 3.947 4.170 -0.000 0.000 0.243 470 I C 2.694 178.760 176.117 -0.085 0.000 1.085 470 I CA 1.399 62.668 61.300 -0.051 0.000 1.347 470 I CB -0.353 37.636 38.000 -0.018 0.000 1.044 470 I HN 0.204 nan 8.210 nan 0.000 0.408 471 K N 0.899 121.231 120.400 -0.114 0.000 2.103 471 K HA -0.218 4.102 4.320 -0.000 0.000 0.207 471 K C 2.338 178.719 176.600 -0.365 0.000 1.048 471 K CA 1.927 58.050 56.287 -0.274 0.000 0.930 471 K CB -0.065 32.294 32.500 -0.236 0.000 0.716 471 K HN 0.416 nan 8.250 nan 0.000 0.444 472 S N -0.512 115.064 115.700 -0.208 0.000 2.382 472 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 472 S C 2.125 176.644 174.600 -0.135 0.000 1.027 472 S CA 1.221 59.320 58.200 -0.168 0.000 0.991 472 S CB -0.669 62.468 63.200 -0.105 0.000 0.823 472 S HN 0.435 nan 8.310 nan 0.000 0.469 473 G N 1.903 110.640 108.800 -0.105 0.000 2.402 473 G HA2 0.028 3.988 3.960 -0.000 0.000 0.216 473 G HA3 0.028 3.988 3.960 -0.000 0.000 0.216 473 G C 1.489 176.357 174.900 -0.054 0.000 1.162 473 G CA 0.798 45.863 45.100 -0.059 0.000 0.777 473 G HN 0.513 nan 8.290 nan 0.000 0.539 474 L N -0.038 121.135 121.223 -0.083 0.000 2.083 474 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 474 L C 2.895 179.778 176.870 0.022 0.000 1.083 474 L CA 1.298 56.139 54.840 0.002 0.000 0.752 474 L CB -0.424 41.670 42.059 0.058 0.000 0.899 474 L HN 0.201 nan 8.230 nan 0.000 0.433 475 R N 0.644 120.994 120.500 -0.250 0.000 2.073 475 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 475 R C 2.378 178.717 176.300 0.065 0.000 1.134 475 R CA 1.595 57.650 56.100 -0.075 0.000 0.952 475 R CB -0.274 29.884 30.300 -0.238 0.000 0.850 475 R HN 0.317 nan 8.270 nan 0.000 0.433 476 A N 0.766 123.595 122.820 0.014 0.000 1.902 476 A HA -0.107 4.212 4.320 -0.000 0.000 0.217 476 A C 2.381 179.896 177.584 -0.114 0.000 1.181 476 A CA 1.737 53.784 52.037 0.016 0.000 0.623 476 A CB -0.803 18.225 19.000 0.047 0.000 0.818 476 A HN 0.577 nan 8.150 nan 0.000 0.443 477 A N -0.364 122.417 122.820 -0.065 0.000 1.877 477 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 477 A C 2.283 179.815 177.584 -0.086 0.000 1.186 477 A CA 1.756 53.740 52.037 -0.089 0.000 0.620 477 A CB -0.550 18.449 19.000 -0.002 0.000 0.822 477 A HN 0.543 nan 8.150 nan 0.000 0.443 478 R N -0.422 120.096 120.500 0.030 0.000 2.091 478 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 478 R C 1.388 177.664 176.300 -0.041 0.000 1.136 478 R CA 1.985 58.111 56.100 0.044 0.000 0.959 478 R CB -0.405 30.003 30.300 0.181 0.000 0.856 478 R HN 0.461 nan 8.270 nan 0.000 0.437 479 D N -0.145 120.224 120.400 -0.051 0.000 2.117 479 D HA -0.114 4.525 4.640 -0.000 0.000 0.198 479 D C 1.961 178.053 176.300 -0.346 0.000 0.982 479 D CA 0.974 54.923 54.000 -0.085 0.000 0.828 479 D CB -0.171 40.674 40.800 0.075 0.000 0.967 479 D HN 0.074 nan 8.370 nan 0.000 0.464 480 V N 1.217 120.740 119.914 -0.652 0.000 2.295 480 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 480 V C 2.230 177.915 176.094 -0.682 0.000 1.049 480 V CA 1.664 63.371 62.300 -0.988 0.000 1.024 480 V CB -0.553 30.683 31.823 -0.978 0.000 0.648 480 V HN 0.150 nan 8.190 nan 0.000 0.447 481 N N 0.222 118.688 118.700 -0.389 0.000 2.069 481 N HA -0.160 4.580 4.740 -0.000 0.000 0.191 481 N C 1.655 177.102 175.510 -0.105 0.000 1.031 481 N CA 1.719 54.666 53.050 -0.172 0.000 0.852 481 N CB -0.339 38.137 38.487 -0.019 0.000 1.018 481 N HN 0.436 nan 8.380 nan 0.000 0.423 482 L N -0.283 120.877 121.223 -0.105 0.000 2.046 482 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 482 L C 2.391 179.238 176.870 -0.038 0.000 1.077 482 L CA 1.282 56.094 54.840 -0.046 0.000 0.747 482 L CB -0.548 41.499 42.059 -0.020 0.000 0.896 482 L HN 0.205 nan 8.230 nan 0.000 0.432 483 A N -0.064 122.695 122.820 -0.101 0.000 1.972 483 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 483 A C 2.483 180.103 177.584 0.059 0.000 1.169 483 A CA 1.771 53.801 52.037 -0.011 0.000 0.635 483 A CB -0.697 18.294 19.000 -0.015 0.000 0.810 483 A HN 0.518 nan 8.150 nan 0.000 0.446 484 S N -0.509 115.167 115.700 -0.039 0.000 2.500 484 S HA -0.114 4.356 4.470 -0.000 0.000 0.239 484 S C 1.336 176.011 174.600 0.124 0.000 0.989 484 S CA 1.415 59.692 58.200 0.128 0.000 0.951 484 S CB -0.255 63.008 63.200 0.105 0.000 0.759 484 S HN 0.701 nan 8.310 nan 0.000 0.523 485 E N 0.749 120.995 120.200 0.077 0.000 2.372 485 E HA 0.153 4.503 4.350 -0.000 0.000 0.201 485 E C 0.689 177.325 176.600 0.060 0.000 0.938 485 E CA -0.175 56.264 56.400 0.064 0.000 0.944 485 E CB -0.026 29.700 29.700 0.043 0.000 0.937 485 E HN 0.642 nan 8.360 nan 0.000 0.495 486 N N 0.000 118.740 118.700 0.066 0.000 1.763 486 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 486 N CA 0.000 53.090 53.050 0.067 0.000 0.885 486 N CB 0.000 38.534 38.487 0.078 0.000 1.341 486 N HN 0.000 nan 8.380 nan 0.000 0.667