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 3bl8_1_D DATA FIRST_RESID 41 DATA SEQUENCE KPVVNTAYGR VRGVRRELNN EILGPVVQFL GVPYATPPLG ARRFQPPEAP DATA SEQUENCE ASWPGVRNAT TLPPAcPQNL HGALPAIMLP VWFTDNLEAA ATYVQNQSED DATA SEQUENCE cLYLNLYVPT XXXXXXXXXX XXXXXXXXXX XXXXGKKPVM LFLHGGSYME DATA SEQUENCE GTGNMFDGSV LAAYGNVIVV TLNYRLGVLG FLSTGDQAAK GNYGLLDQIQ DATA SEQUENCE ALRWLSENIA HFGGDPERIT IFGSGAGASC VNLLILSHHS EGLFQKAIAQ DATA SEQUENCE SGTAISSWSV NYQPLKYTRL LAAKVGcDRE DSTEAVEcLR RKSSRELVDQ DATA SEQUENCE DVQPARYHIA FGPVVDGDVV PDDPEILMQQ GEFLNYDMLI GVNQGEGLKF DATA SEQUENCE VEDSAESEDG VSASAFDFTV SNFVDNLYGY PEGKDVLRET IKFMYTDWAD DATA SEQUENCE RDNGEMRRKT LLALFTDHQW VAPAVATAKL HADYQSPVYF YTFYHHcQAE DATA SEQUENCE GRPEWADAAH GDELPYVFGV PMVGATDLFP cNFSKNDVML SAVVMTYWTN DATA SEQUENCE FAKTGDPNQP VPQDTKFXXX XXNRFEEVVW SKFNSKEKQY LHIGLKPRVR DATA SEQUENCE DNYRANKVAF WLELVPHLHN 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 41 K HA 0.000 nan 4.320 nan 0.000 0.191 41 K C 0.000 176.610 176.600 0.017 0.000 0.988 41 K CA 0.000 56.293 56.287 0.009 0.000 0.838 41 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 42 P HA -0.157 nan 4.420 nan 0.000 0.259 42 P C -0.874 176.497 177.300 0.119 0.000 1.120 42 P CA 0.419 63.555 63.100 0.061 0.000 0.759 42 P CB 0.220 31.908 31.700 -0.020 0.000 0.704 43 V N 5.490 125.502 119.914 0.164 0.000 2.757 43 V HA 0.368 4.488 4.120 -0.000 0.000 0.262 43 V C -0.903 175.282 176.094 0.152 0.000 0.971 43 V CA -0.533 61.879 62.300 0.187 0.000 0.906 43 V CB 1.837 33.733 31.823 0.122 0.000 1.056 43 V HN 0.331 nan 8.190 nan 0.000 0.489 44 V N 7.093 127.109 119.914 0.170 0.000 2.960 44 V HA 0.704 4.824 4.120 -0.000 0.000 0.315 44 V C -0.410 175.666 176.094 -0.030 0.000 1.087 44 V CA -0.509 61.800 62.300 0.015 0.000 0.982 44 V CB 2.588 34.359 31.823 -0.085 0.000 1.039 44 V HN 1.025 nan 8.190 nan 0.000 0.437 45 N N 2.271 120.914 118.700 -0.096 0.000 2.458 45 N HA 0.580 5.319 4.740 -0.000 0.000 0.271 45 N C -0.387 175.018 175.510 -0.176 0.000 1.210 45 N CA 0.048 53.056 53.050 -0.069 0.000 0.978 45 N CB 1.658 40.091 38.487 -0.091 0.000 1.206 45 N HN 0.793 nan 8.380 nan 0.000 0.536 46 T N -5.394 109.133 114.554 -0.045 0.000 2.742 46 T HA 0.681 5.031 4.350 -0.000 0.000 0.282 46 T C 0.705 175.342 174.700 -0.105 0.000 1.025 46 T CA -0.432 61.684 62.100 0.027 0.000 1.020 46 T CB 0.608 69.696 68.868 0.367 0.000 1.317 46 T HN 0.576 nan 8.240 nan 0.000 0.538 47 A N -0.843 121.946 122.820 -0.051 0.000 2.239 47 A HA 0.263 4.583 4.320 -0.000 0.000 0.209 47 A C 0.854 178.108 177.584 -0.550 0.000 1.171 47 A CA 0.433 52.301 52.037 -0.283 0.000 0.768 47 A CB -1.100 17.699 19.000 -0.335 0.000 0.790 47 A HN 0.808 nan 8.150 nan 0.000 0.478 48 Y N -1.761 118.394 120.300 -0.242 0.000 2.432 48 Y HA 0.438 4.988 4.550 -0.000 0.000 0.252 48 Y C 1.252 176.523 175.900 -1.050 0.000 1.097 48 Y CA 0.306 58.053 58.100 -0.588 0.000 1.250 48 Y CB 0.993 39.049 38.460 -0.672 0.000 1.245 48 Y HN 0.434 nan 8.280 nan 0.000 0.522 49 G N 0.445 108.959 108.800 -0.477 0.000 2.369 49 G HA2 0.069 4.028 3.960 -0.000 0.000 0.295 49 G HA3 0.069 4.028 3.960 -0.000 0.000 0.295 49 G C -1.495 173.582 174.900 0.295 0.000 1.298 49 G CA -1.376 43.543 45.100 -0.302 0.000 0.940 49 G HN -0.051 nan 8.290 nan 0.000 0.536 50 R N -0.659 120.096 120.500 0.426 0.000 2.438 50 R HA 0.504 4.844 4.340 -0.000 0.000 0.287 50 R C 0.282 176.899 176.300 0.527 0.000 1.077 50 R CA 0.038 56.372 56.100 0.389 0.000 1.034 50 R CB 1.180 31.625 30.300 0.242 0.000 0.993 50 R HN 0.981 nan 8.270 nan 0.000 0.459 51 V N 0.449 120.591 119.914 0.381 0.000 2.588 51 V HA 0.541 4.661 4.120 -0.000 0.000 0.304 51 V C -0.384 175.913 176.094 0.340 0.000 1.042 51 V CA -1.087 61.407 62.300 0.324 0.000 0.877 51 V CB 1.788 33.842 31.823 0.384 0.000 0.996 51 V HN 0.713 nan 8.190 nan 0.000 0.425 52 R N 2.534 123.179 120.500 0.242 0.000 2.294 52 R HA 0.745 5.085 4.340 -0.000 0.000 0.319 52 R C 0.131 176.527 176.300 0.161 0.000 0.984 52 R CA 0.115 56.332 56.100 0.195 0.000 0.861 52 R CB 1.574 31.932 30.300 0.097 0.000 1.104 52 R HN 1.164 nan 8.270 nan 0.000 0.451 53 G N 1.860 110.691 108.800 0.053 0.000 2.630 53 G HA2 0.483 4.443 3.960 -0.000 0.000 0.296 53 G HA3 0.483 4.443 3.960 -0.000 0.000 0.296 53 G C -1.018 173.739 174.900 -0.239 0.000 1.285 53 G CA -0.573 44.370 45.100 -0.260 0.000 0.958 53 G HN 0.419 nan 8.290 nan 0.000 0.479 54 V N -0.179 119.583 119.914 -0.253 0.000 2.644 54 V HA 0.543 4.663 4.120 -0.000 0.000 0.295 54 V C 0.491 176.484 176.094 -0.168 0.000 1.053 54 V CA -0.867 61.338 62.300 -0.157 0.000 0.987 54 V CB 1.416 33.175 31.823 -0.107 0.000 1.006 54 V HN 0.784 nan 8.190 nan 0.000 0.472 55 R N 3.281 123.725 120.500 -0.094 0.000 2.229 55 R HA 0.495 4.834 4.340 -0.000 0.000 0.328 55 R C -0.737 175.544 176.300 -0.032 0.000 1.009 55 R CA -0.554 55.511 56.100 -0.059 0.000 0.864 55 R CB 0.607 30.889 30.300 -0.031 0.000 1.085 55 R HN 0.641 nan 8.270 nan 0.000 0.453 56 R N 2.981 123.474 120.500 -0.013 0.000 2.562 56 R HA 0.282 4.622 4.340 -0.000 0.000 0.298 56 R C -0.623 175.687 176.300 0.016 0.000 0.961 56 R CA -0.874 55.229 56.100 0.005 0.000 0.881 56 R CB 1.569 31.884 30.300 0.025 0.000 1.159 56 R HN 0.664 nan 8.270 nan 0.000 0.450 57 E N 2.483 122.689 120.200 0.009 0.000 2.343 57 E HA 0.313 4.663 4.350 -0.000 0.000 0.269 57 E C -0.018 176.587 176.600 0.009 0.000 1.047 57 E CA -0.641 55.763 56.400 0.008 0.000 0.874 57 E CB 1.285 30.985 29.700 0.001 0.000 1.033 57 E HN 0.228 nan 8.360 nan 0.000 0.409 58 L N 1.486 122.713 121.223 0.005 0.000 2.303 58 L HA 0.291 4.631 4.340 -0.000 0.000 0.266 58 L C 0.802 177.664 176.870 -0.013 0.000 1.011 58 L CA -0.431 54.407 54.840 -0.002 0.000 0.818 58 L CB 0.979 43.039 42.059 0.002 0.000 1.326 58 L HN 0.326 nan 8.230 nan 0.000 0.435 59 N N 2.111 120.798 118.700 -0.023 0.000 3.324 59 N HA 0.174 4.914 4.740 -0.000 0.000 0.302 59 N C -0.980 174.513 175.510 -0.028 0.000 1.360 59 N CA 0.034 53.069 53.050 -0.024 0.000 1.190 59 N CB -0.094 38.377 38.487 -0.027 0.000 1.462 59 N HN 0.420 nan 8.380 nan 0.000 0.532 60 N N -0.024 118.659 118.700 -0.029 0.000 2.647 60 N HA 0.041 4.781 4.740 -0.000 0.000 0.259 60 N C 0.163 175.645 175.510 -0.046 0.000 1.098 60 N CA -0.371 52.656 53.050 -0.039 0.000 0.984 60 N CB 1.161 39.620 38.487 -0.046 0.000 1.683 60 N HN -0.001 nan 8.380 nan 0.000 0.501 61 E N 1.517 121.677 120.200 -0.067 0.000 2.204 61 E HA 0.009 4.359 4.350 -0.000 0.000 0.194 61 E C 1.192 177.728 176.600 -0.106 0.000 0.989 61 E CA 0.852 57.202 56.400 -0.084 0.000 0.824 61 E CB 0.200 29.837 29.700 -0.106 0.000 0.756 61 E HN 0.593 nan 8.360 nan 0.000 0.477 62 I N 0.892 121.388 120.570 -0.123 0.000 2.252 62 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 62 I C 0.434 176.535 176.117 -0.028 0.000 1.102 62 I CA 0.536 61.765 61.300 -0.119 0.000 1.385 62 I CB 0.026 37.962 38.000 -0.107 0.000 1.064 62 I HN 0.042 nan 8.210 nan 0.000 0.414 63 L N -0.772 120.446 121.223 -0.008 0.000 2.333 63 L HA 0.721 5.061 4.340 -0.000 0.000 0.280 63 L C 0.223 177.100 176.870 0.012 0.000 1.004 63 L CA -0.587 54.267 54.840 0.024 0.000 0.820 63 L CB 0.467 42.556 42.059 0.051 0.000 1.247 63 L HN -0.135 nan 8.230 nan 0.000 0.416 64 G N 1.589 110.400 108.800 0.019 0.000 2.621 64 G HA2 0.564 4.524 3.960 -0.000 0.000 0.271 64 G HA3 0.564 4.524 3.960 -0.000 0.000 0.271 64 G C -2.443 172.473 174.900 0.027 0.000 1.236 64 G CA -1.120 43.990 45.100 0.017 0.000 0.958 64 G HN 0.635 nan 8.290 nan 0.000 0.512 65 P HA 0.248 nan 4.420 nan 0.000 0.269 65 P C -0.222 177.108 177.300 0.049 0.000 1.215 65 P CA -0.022 63.097 63.100 0.032 0.000 0.780 65 P CB 1.227 32.941 31.700 0.023 0.000 0.898 66 V N -0.449 119.501 119.914 0.061 0.000 2.876 66 V HA 0.502 4.622 4.120 -0.000 0.000 0.312 66 V C -0.372 175.760 176.094 0.063 0.000 1.085 66 V CA -1.095 61.257 62.300 0.087 0.000 0.945 66 V CB 1.935 33.838 31.823 0.133 0.000 1.017 66 V HN 0.218 nan 8.190 nan 0.000 0.428 67 V N 3.705 123.655 119.914 0.059 0.000 2.461 67 V HA 0.380 4.500 4.120 -0.000 0.000 0.275 67 V C 0.206 176.236 176.094 -0.107 0.000 1.047 67 V CA -0.080 62.191 62.300 -0.049 0.000 0.955 67 V CB 0.934 32.737 31.823 -0.033 0.000 0.988 67 V HN 1.006 nan 8.190 nan 0.000 0.471 68 Q N 3.875 123.527 119.800 -0.247 0.000 2.307 68 Q HA 0.512 4.852 4.340 -0.000 0.000 0.262 68 Q C -1.444 174.263 176.000 -0.489 0.000 0.961 68 Q CA -0.296 55.333 55.803 -0.289 0.000 0.882 68 Q CB 2.013 30.647 28.738 -0.172 0.000 1.264 68 Q HN 0.669 nan 8.270 nan 0.000 0.446 69 F N 3.401 123.255 119.950 -0.161 0.000 2.325 69 F HA 0.365 4.892 4.527 -0.000 0.000 0.369 69 F C -0.453 175.248 175.800 -0.165 0.000 1.095 69 F CA -0.573 57.376 58.000 -0.086 0.000 1.082 69 F CB 0.732 39.734 39.000 0.003 0.000 1.289 69 F HN 0.229 nan 8.300 nan 0.000 0.462 70 L N 2.912 124.133 121.223 -0.002 0.000 2.296 70 L HA 0.641 4.981 4.340 -0.000 0.000 0.286 70 L C 0.730 177.585 176.870 -0.024 0.000 1.023 70 L CA -0.832 53.981 54.840 -0.045 0.000 0.812 70 L CB 1.560 43.579 42.059 -0.067 0.000 1.223 70 L HN 0.840 nan 8.230 nan 0.000 0.421 71 G N 2.713 111.503 108.800 -0.017 0.000 2.289 71 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.280 71 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.280 71 G C -0.380 174.559 174.900 0.065 0.000 1.089 71 G CA 0.215 45.283 45.100 -0.053 0.000 0.939 71 G HN 0.531 nan 8.290 nan 0.000 0.499 72 V N 1.402 121.355 119.914 0.065 0.000 2.364 72 V HA 0.681 4.801 4.120 -0.000 0.000 0.272 72 V C -1.763 174.230 176.094 -0.168 0.000 1.036 72 V CA -2.182 60.099 62.300 -0.031 0.000 0.880 72 V CB 1.400 33.201 31.823 -0.037 0.000 0.991 72 V HN 0.245 nan 8.190 nan 0.000 0.460 73 P HA 0.121 nan 4.420 nan 0.000 0.271 73 P C -0.417 176.480 177.300 -0.671 0.000 1.233 73 P CA 0.163 62.862 63.100 -0.668 0.000 0.764 73 P CB 0.230 31.543 31.700 -0.644 0.000 0.825 74 Y N 2.519 122.401 120.300 -0.696 0.000 2.482 74 Y HA 0.599 5.149 4.550 -0.000 0.000 0.270 74 Y C 0.374 176.083 175.900 -0.318 0.000 1.152 74 Y CA -0.521 57.137 58.100 -0.736 0.000 1.292 74 Y CB 0.220 38.358 38.460 -0.538 0.000 1.070 74 Y HN 0.396 nan 8.280 nan 0.000 0.528 75 A N 0.439 122.938 122.820 -0.534 0.000 2.606 75 A HA 0.574 4.894 4.320 -0.000 0.000 0.293 75 A C -0.321 177.054 177.584 -0.349 0.000 1.082 75 A CA -0.539 51.318 52.037 -0.300 0.000 0.685 75 A CB 0.276 19.157 19.000 -0.199 0.000 1.284 75 A HN 0.265 nan 8.150 nan 0.000 0.408 76 T N 0.916 115.354 114.554 -0.192 0.000 2.930 76 T HA 0.475 4.825 4.350 -0.000 0.000 0.306 76 T C -2.531 172.055 174.700 -0.190 0.000 1.045 76 T CA -0.924 61.080 62.100 -0.160 0.000 1.134 76 T CB -0.097 68.726 68.868 -0.075 0.000 0.961 76 T HN 0.358 nan 8.240 nan 0.000 0.545 77 P HA 0.140 nan 4.420 nan 0.000 0.261 77 P C -2.318 174.902 177.300 -0.134 0.000 1.183 77 P CA -0.951 62.055 63.100 -0.157 0.000 0.761 77 P CB -0.316 31.325 31.700 -0.098 0.000 0.785 78 P HA 0.210 nan 4.420 nan 0.000 0.234 78 P C -0.221 176.975 177.300 -0.173 0.000 1.799 78 P CA 0.065 63.066 63.100 -0.164 0.000 1.118 78 P CB 0.281 31.869 31.700 -0.188 0.000 1.827 79 L N 0.920 122.061 121.223 -0.137 0.000 2.590 79 L HA 0.318 4.658 4.340 -0.000 0.000 0.181 79 L C 2.134 178.937 176.870 -0.111 0.000 1.134 79 L CA 0.952 55.720 54.840 -0.119 0.000 0.850 79 L CB -0.769 41.242 42.059 -0.080 0.000 1.172 79 L HN 0.259 nan 8.230 nan 0.000 0.498 80 G N -0.646 108.104 108.800 -0.083 0.000 2.908 80 G HA2 0.111 4.071 3.960 -0.000 0.000 0.188 80 G HA3 0.111 4.071 3.960 -0.000 0.000 0.188 80 G C 1.248 176.112 174.900 -0.060 0.000 1.903 80 G CA 0.516 45.581 45.100 -0.059 0.000 0.883 80 G HN 0.291 nan 8.290 nan 0.000 0.515 81 A N 0.345 123.140 122.820 -0.042 0.000 2.209 81 A HA 0.049 4.369 4.320 -0.000 0.000 0.212 81 A C 2.187 179.735 177.584 -0.060 0.000 1.158 81 A CA 1.189 53.207 52.037 -0.032 0.000 0.742 81 A CB -0.282 18.710 19.000 -0.014 0.000 0.790 81 A HN 0.427 nan 8.150 nan 0.000 0.472 82 R N -0.139 120.307 120.500 -0.091 0.000 2.313 82 R HA 0.081 4.421 4.340 -0.000 0.000 0.199 82 R C 0.589 176.753 176.300 -0.227 0.000 0.958 82 R CA -0.083 55.943 56.100 -0.125 0.000 1.047 82 R CB -0.551 29.687 30.300 -0.103 0.000 0.955 82 R HN 0.394 nan 8.270 nan 0.000 0.481 83 R N 1.020 121.358 120.500 -0.270 0.000 2.347 83 R HA 0.047 4.387 4.340 -0.000 0.000 0.304 83 R C -0.544 175.431 176.300 -0.542 0.000 1.072 83 R CA -0.036 55.745 56.100 -0.531 0.000 0.980 83 R CB 0.009 30.008 30.300 -0.502 0.000 0.986 83 R HN 0.172 nan 8.270 nan 0.000 0.448 84 F N 0.665 120.305 119.950 -0.516 0.000 3.074 84 F HA -0.296 4.230 4.527 -0.000 0.000 0.287 84 F C -0.083 175.010 175.800 -1.178 0.000 0.932 84 F CA 0.504 57.879 58.000 -1.042 0.000 0.995 84 F CB -1.415 37.279 39.000 -0.510 0.000 0.966 84 F HN 0.573 nan 8.300 nan 0.000 0.721 85 Q N 0.717 120.066 119.800 -0.752 0.000 2.309 85 Q HA 0.497 4.837 4.340 -0.000 0.000 0.273 85 Q C -2.626 173.356 176.000 -0.031 0.000 1.040 85 Q CA -2.163 53.501 55.803 -0.231 0.000 0.834 85 Q CB 2.462 31.136 28.738 -0.107 0.000 1.345 85 Q HN -0.144 nan 8.270 nan 0.000 0.414 86 P HA 0.034 nan 4.420 nan 0.000 0.263 86 P C -2.485 174.863 177.300 0.080 0.000 1.175 86 P CA -0.561 62.640 63.100 0.168 0.000 0.761 86 P CB -0.217 31.575 31.700 0.154 0.000 0.794 87 P HA 0.286 nan 4.420 nan 0.000 0.274 87 P C -0.372 176.971 177.300 0.070 0.000 1.237 87 P CA 0.097 63.225 63.100 0.047 0.000 0.793 87 P CB 1.204 32.946 31.700 0.069 0.000 0.977 88 E N -0.392 119.838 120.200 0.050 0.000 2.433 88 E HA 0.566 4.916 4.350 -0.000 0.000 0.273 88 E C -0.673 175.972 176.600 0.076 0.000 0.950 88 E CA -1.221 55.223 56.400 0.074 0.000 0.796 88 E CB 1.827 31.564 29.700 0.061 0.000 1.330 88 E HN 0.496 nan 8.360 nan 0.000 0.455 89 A N 2.618 125.513 122.820 0.124 0.000 2.598 89 A HA 0.094 4.414 4.320 -0.000 0.000 0.239 89 A C -2.086 175.534 177.584 0.061 0.000 1.032 89 A CA -0.445 51.693 52.037 0.168 0.000 0.760 89 A CB -0.704 18.456 19.000 0.267 0.000 0.946 89 A HN 0.240 nan 8.150 nan 0.000 0.512 90 P HA 0.311 nan 4.420 nan 0.000 0.271 90 P C -0.114 177.139 177.300 -0.079 0.000 1.218 90 P CA 0.096 63.089 63.100 -0.179 0.000 0.780 90 P CB 0.782 32.279 31.700 -0.339 0.000 0.901 91 A N 3.093 125.924 122.820 0.018 0.000 2.462 91 A HA 0.257 4.577 4.320 -0.000 0.000 0.243 91 A C 0.618 178.286 177.584 0.139 0.000 1.076 91 A CA 0.044 52.136 52.037 0.092 0.000 0.773 91 A CB -0.500 18.551 19.000 0.086 0.000 1.010 91 A HN 0.530 nan 8.150 nan 0.000 0.493 92 S N 0.837 116.601 115.700 0.107 0.000 2.576 92 S HA 0.397 4.866 4.470 -0.000 0.000 0.276 92 S C -0.358 174.280 174.600 0.064 0.000 1.339 92 S CA 0.152 58.322 58.200 -0.049 0.000 1.039 92 S CB 0.175 63.328 63.200 -0.078 0.000 0.902 92 S HN 0.737 nan 8.310 nan 0.000 0.516 93 W N 1.698 123.077 121.300 0.131 0.000 2.627 93 W HA 0.638 5.297 4.660 -0.000 0.000 0.339 93 W C -2.514 174.054 176.519 0.082 0.000 1.058 93 W CA -2.261 55.140 57.345 0.092 0.000 1.223 93 W CB -1.136 28.380 29.460 0.092 0.000 1.389 93 W HN 0.394 nan 8.180 nan 0.000 0.541 94 P HA 0.005 nan 4.420 nan 0.000 0.201 94 P C 1.366 178.791 177.300 0.208 0.000 0.995 94 P CA 1.610 64.810 63.100 0.168 0.000 0.866 94 P CB -0.376 31.405 31.700 0.135 0.000 0.652 95 G N -0.357 108.561 108.800 0.197 0.000 2.937 95 G HA2 0.158 4.118 3.960 -0.000 0.000 0.160 95 G HA3 0.158 4.118 3.960 -0.000 0.000 0.160 95 G C -0.386 174.658 174.900 0.240 0.000 1.863 95 G CA 0.082 45.284 45.100 0.170 0.000 0.941 95 G HN 0.239 nan 8.290 nan 0.000 0.419 96 V N 0.498 120.518 119.914 0.177 0.000 2.472 96 V HA 0.502 4.622 4.120 -0.000 0.000 0.290 96 V C 0.171 176.320 176.094 0.092 0.000 1.037 96 V CA -0.658 61.743 62.300 0.169 0.000 0.908 96 V CB 1.515 33.406 31.823 0.115 0.000 0.985 96 V HN 0.487 nan 8.190 nan 0.000 0.454 97 R N 2.837 123.344 120.500 0.012 0.000 2.338 97 R HA 0.361 4.701 4.340 -0.000 0.000 0.317 97 R C -0.331 175.904 176.300 -0.108 0.000 0.968 97 R CA -0.726 55.252 56.100 -0.202 0.000 0.849 97 R CB 0.688 30.526 30.300 -0.769 0.000 1.128 97 R HN 0.721 nan 8.270 nan 0.000 0.448 98 N N 2.155 120.801 118.700 -0.089 0.000 2.412 98 N HA 0.002 4.742 4.740 -0.000 0.000 0.279 98 N C -0.432 175.040 175.510 -0.062 0.000 1.287 98 N CA 0.347 53.366 53.050 -0.052 0.000 0.948 98 N CB 1.103 39.558 38.487 -0.054 0.000 1.255 98 N HN 0.584 nan 8.380 nan 0.000 0.485 99 A N 2.146 124.971 122.820 0.008 0.000 3.159 99 A HA 0.160 4.480 4.320 -0.000 0.000 0.301 99 A C 1.173 178.768 177.584 0.017 0.000 1.271 99 A CA -0.394 51.671 52.037 0.046 0.000 0.998 99 A CB -0.480 18.654 19.000 0.223 0.000 1.101 99 A HN 0.623 nan 8.150 nan 0.000 0.610 100 T N -4.378 110.155 114.554 -0.035 0.000 2.971 100 T HA 0.186 4.536 4.350 -0.000 0.000 0.252 100 T C 0.612 175.274 174.700 -0.064 0.000 1.022 100 T CA 0.441 62.507 62.100 -0.056 0.000 0.980 100 T CB 0.175 69.013 68.868 -0.051 0.000 1.044 100 T HN 0.172 nan 8.240 nan 0.000 0.501 101 T N 3.048 117.558 114.554 -0.074 0.000 2.823 101 T HA 0.664 5.014 4.350 -0.000 0.000 0.279 101 T C -0.460 174.181 174.700 -0.097 0.000 0.998 101 T CA -0.694 61.356 62.100 -0.083 0.000 0.994 101 T CB 1.483 70.294 68.868 -0.095 0.000 0.960 101 T HN 0.088 nan 8.240 nan 0.000 0.448 102 L N 5.324 126.503 121.223 -0.073 0.000 2.453 102 L HA 0.273 4.613 4.340 -0.000 0.000 0.272 102 L C -1.618 175.175 176.870 -0.127 0.000 1.182 102 L CA -1.104 53.699 54.840 -0.061 0.000 0.858 102 L CB -0.540 41.518 42.059 -0.002 0.000 1.120 102 L HN 0.407 nan 8.230 nan 0.000 0.474 103 P HA 0.207 nan 4.420 nan 0.000 0.274 103 P C -2.652 174.540 177.300 -0.181 0.000 1.237 103 P CA -1.466 61.438 63.100 -0.327 0.000 0.793 103 P CB -0.181 31.264 31.700 -0.426 0.000 0.977 104 P HA 0.119 nan 4.420 nan 0.000 0.272 104 P C -0.236 177.037 177.300 -0.045 0.000 1.223 104 P CA -0.021 63.022 63.100 -0.095 0.000 0.784 104 P CB 0.412 32.056 31.700 -0.093 0.000 0.923 105 A N 2.080 124.888 122.820 -0.020 0.000 2.280 105 A HA 0.329 4.649 4.320 -0.000 0.000 0.268 105 A C 0.449 178.029 177.584 -0.008 0.000 1.111 105 A CA -0.335 51.698 52.037 -0.007 0.000 0.814 105 A CB -0.285 18.714 19.000 -0.001 0.000 1.093 105 A HN 0.659 nan 8.150 nan 0.000 0.498 106 c N 0.343 118.936 118.600 -0.011 0.000 2.403 106 c HA 0.498 5.067 4.570 -0.000 0.000 0.361 106 c C -2.097 171.986 174.090 -0.011 0.000 1.274 106 c CA -0.768 55.552 56.329 -0.015 0.000 2.433 106 c CB 0.203 42.697 42.510 -0.026 0.000 2.323 106 c HN 0.680 nan 8.230 nan 0.000 0.614 107 P HA 0.080 nan 4.420 nan 0.000 0.260 107 P C -0.993 176.312 177.300 0.007 0.000 1.185 107 P CA 0.980 64.076 63.100 -0.006 0.000 0.763 107 P CB 0.019 31.709 31.700 -0.017 0.000 0.776 108 Q N 1.800 121.607 119.800 0.011 0.000 2.522 108 Q HA 0.407 4.747 4.340 -0.000 0.000 0.285 108 Q C -1.613 174.395 176.000 0.012 0.000 0.982 108 Q CA -1.007 54.806 55.803 0.017 0.000 0.805 108 Q CB 1.784 30.532 28.738 0.017 0.000 1.457 108 Q HN 0.329 nan 8.270 nan 0.000 0.394 109 N N 1.764 120.471 118.700 0.011 0.000 2.483 109 N HA 0.286 5.026 4.740 -0.000 0.000 0.267 109 N C -1.032 174.445 175.510 -0.055 0.000 0.998 109 N CA -0.260 52.788 53.050 -0.003 0.000 0.918 109 N CB 1.218 39.727 38.487 0.037 0.000 1.215 109 N HN 0.610 nan 8.380 nan 0.000 0.500 110 L N 3.468 124.560 121.223 -0.217 0.000 2.741 110 L HA 0.249 4.588 4.340 -0.000 0.000 0.237 110 L C -0.212 176.392 176.870 -0.444 0.000 1.178 110 L CA 0.063 54.725 54.840 -0.295 0.000 0.973 110 L CB -0.324 41.546 42.059 -0.314 0.000 1.255 110 L HN 0.525 nan 8.230 nan 0.000 0.498 111 H N -0.601 118.482 119.070 0.021 0.000 2.736 111 H HA 0.504 5.059 4.556 -0.000 0.000 0.271 111 H C 1.112 176.450 175.328 0.017 0.000 1.184 111 H CA 0.003 56.057 56.048 0.010 0.000 1.378 111 H CB 0.937 30.702 29.762 0.005 0.000 1.428 111 H HN 0.158 nan 8.280 nan 0.000 0.500 112 G N 2.516 111.375 108.800 0.098 0.000 2.205 112 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.261 112 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.261 112 G C 0.397 175.332 174.900 0.058 0.000 0.980 112 G CA 0.106 45.249 45.100 0.071 0.000 0.632 112 G HN 0.840 nan 8.290 nan 0.000 0.533 113 A N 0.068 122.922 122.820 0.057 0.000 2.709 113 A HA 0.812 5.132 4.320 -0.000 0.000 0.332 113 A C -0.450 177.165 177.584 0.052 0.000 1.241 113 A CA -0.217 51.856 52.037 0.059 0.000 0.782 113 A CB 0.642 19.684 19.000 0.069 0.000 1.109 113 A HN 0.855 nan 8.150 nan 0.000 0.472 114 L N 2.933 124.182 121.223 0.044 0.000 2.526 114 L HA 0.489 4.829 4.340 -0.000 0.000 0.263 114 L C -2.527 174.356 176.870 0.021 0.000 0.943 114 L CA -1.450 53.410 54.840 0.033 0.000 0.859 114 L CB 3.342 45.426 42.059 0.040 0.000 1.313 114 L HN 0.450 nan 8.230 nan 0.000 0.406 115 P HA 0.299 nan 4.420 nan 0.000 0.234 115 P C 0.165 177.436 177.300 -0.048 0.000 1.799 115 P CA -0.371 62.719 63.100 -0.017 0.000 1.118 115 P CB 1.384 33.062 31.700 -0.037 0.000 1.827 116 A N 2.328 125.143 122.820 -0.009 0.000 2.235 116 A HA 0.004 4.324 4.320 -0.000 0.000 0.208 116 A C 1.660 179.238 177.584 -0.009 0.000 1.172 116 A CA 0.370 52.403 52.037 -0.008 0.000 0.786 116 A CB -0.815 18.199 19.000 0.024 0.000 0.804 116 A HN 0.456 nan 8.150 nan 0.000 0.479 117 I N -0.334 120.244 120.570 0.014 0.000 2.493 117 I HA -0.202 3.968 4.170 -0.000 0.000 0.254 117 I C 2.393 178.480 176.117 -0.050 0.000 1.160 117 I CA 1.448 62.812 61.300 0.106 0.000 1.445 117 I CB -0.167 38.022 38.000 0.316 0.000 1.086 117 I HN 0.572 nan 8.210 nan 0.000 0.433 118 M N -0.525 118.843 119.600 -0.387 0.000 2.313 118 M HA 0.322 4.802 4.480 -0.000 0.000 0.273 118 M C 0.026 176.056 176.300 -0.450 0.000 1.049 118 M CA 0.171 55.018 55.300 -0.754 0.000 1.004 118 M CB 0.369 31.998 32.600 -1.618 0.000 1.461 118 M HN -0.069 nan 8.290 nan 0.000 0.514 119 L N 3.918 124.979 121.223 -0.270 0.000 2.361 119 L HA 0.399 4.739 4.340 -0.000 0.000 0.278 119 L C -2.171 174.631 176.870 -0.114 0.000 1.113 119 L CA -1.780 52.929 54.840 -0.217 0.000 0.849 119 L CB 0.187 42.172 42.059 -0.123 0.000 1.155 119 L HN -0.076 nan 8.230 nan 0.000 0.452 120 P HA -0.075 nan 4.420 nan 0.000 0.264 120 P C 0.908 178.090 177.300 -0.196 0.000 1.183 120 P CA -0.043 62.992 63.100 -0.108 0.000 0.763 120 P CB 0.621 31.851 31.700 -0.784 0.000 0.807 121 V N 2.482 122.403 119.914 0.012 0.000 2.759 121 V HA -0.181 3.939 4.120 -0.000 0.000 0.256 121 V C 1.801 177.928 176.094 0.055 0.000 1.080 121 V CA 1.601 63.925 62.300 0.042 0.000 1.101 121 V CB -1.488 30.388 31.823 0.089 0.000 0.698 121 V HN 0.772 nan 8.190 nan 0.000 0.477 122 W N 0.484 121.819 121.300 0.058 0.000 2.358 122 W HA -0.161 4.499 4.660 -0.000 0.000 0.303 122 W C 2.087 178.531 176.519 -0.124 0.000 1.208 122 W CA 1.167 58.468 57.345 -0.074 0.000 1.274 122 W CB -1.073 28.317 29.460 -0.117 0.000 1.138 122 W HN 0.250 nan 8.180 nan 0.000 0.515 123 F N 1.541 120.999 119.950 -0.821 0.000 2.187 123 F HA -0.036 4.491 4.527 -0.000 0.000 0.295 123 F C 2.679 178.305 175.800 -0.289 0.000 1.091 123 F CA 2.396 60.039 58.000 -0.595 0.000 1.308 123 F CB -0.881 37.643 39.000 -0.793 0.000 1.030 123 F HN -0.089 nan 8.300 nan 0.000 0.487 124 T N -0.382 114.123 114.554 -0.082 0.000 2.881 124 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 124 T C 1.348 175.978 174.700 -0.116 0.000 1.068 124 T CA 1.900 63.964 62.100 -0.059 0.000 1.131 124 T CB -0.351 68.521 68.868 0.008 0.000 0.871 124 T HN 0.276 nan 8.240 nan 0.000 0.479 125 D N 0.976 121.311 120.400 -0.110 0.000 2.197 125 D HA 0.053 4.693 4.640 -0.000 0.000 0.212 125 D C 1.255 177.471 176.300 -0.140 0.000 0.963 125 D CA 0.681 54.627 54.000 -0.090 0.000 0.864 125 D CB -0.304 40.470 40.800 -0.042 0.000 1.009 125 D HN 0.311 nan 8.370 nan 0.000 0.479 126 N N 1.206 119.792 118.700 -0.191 0.000 2.623 126 N HA 0.053 4.793 4.740 -0.000 0.000 0.263 126 N C 1.279 176.594 175.510 -0.324 0.000 1.218 126 N CA -0.037 52.886 53.050 -0.212 0.000 0.949 126 N CB 0.646 39.018 38.487 -0.192 0.000 1.270 126 N HN 0.175 nan 8.380 nan 0.000 0.507 127 L N 0.332 121.342 121.223 -0.354 0.000 2.191 127 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 127 L C 2.318 179.048 176.870 -0.234 0.000 1.103 127 L CA 1.325 55.919 54.840 -0.409 0.000 0.769 127 L CB 0.147 42.018 42.059 -0.313 0.000 0.908 127 L HN 0.069 nan 8.230 nan 0.000 0.438 128 E N 0.017 120.126 120.200 -0.152 0.000 2.077 128 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 128 E C 1.961 178.514 176.600 -0.078 0.000 0.989 128 E CA 1.556 57.904 56.400 -0.086 0.000 0.800 128 E CB -0.091 29.570 29.700 -0.065 0.000 0.746 128 E HN 0.518 nan 8.360 nan 0.000 0.452 129 A N 0.002 122.765 122.820 -0.096 0.000 2.072 129 A HA 0.287 4.607 4.320 -0.000 0.000 0.216 129 A C 2.255 179.853 177.584 0.023 0.000 1.156 129 A CA 1.113 53.128 52.037 -0.037 0.000 0.701 129 A CB -0.419 18.555 19.000 -0.043 0.000 0.816 129 A HN 0.331 nan 8.150 nan 0.000 0.458 130 A N 0.120 122.863 122.820 -0.128 0.000 1.929 130 A HA 0.249 4.569 4.320 -0.000 0.000 0.216 130 A C 2.392 179.977 177.584 0.001 0.000 1.176 130 A CA 1.607 53.561 52.037 -0.139 0.000 0.628 130 A CB -0.837 17.798 19.000 -0.608 0.000 0.816 130 A HN 0.970 nan 8.150 nan 0.000 0.444 131 A N -0.527 122.258 122.820 -0.058 0.000 2.070 131 A HA -0.061 4.259 4.320 -0.000 0.000 0.220 131 A C 2.208 179.799 177.584 0.012 0.000 1.159 131 A CA 2.158 54.179 52.037 -0.026 0.000 0.656 131 A CB -1.134 17.853 19.000 -0.022 0.000 0.800 131 A HN 0.468 nan 8.150 nan 0.000 0.453 132 T N -1.090 113.470 114.554 0.010 0.000 2.708 132 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 132 T C 1.569 176.202 174.700 -0.111 0.000 1.037 132 T CA 1.764 63.813 62.100 -0.084 0.000 1.146 132 T CB -0.499 68.252 68.868 -0.194 0.000 0.865 132 T HN 0.597 nan 8.240 nan 0.000 0.435 133 Y N 1.325 121.591 120.300 -0.057 0.000 2.509 133 Y HA 0.128 4.678 4.550 -0.000 0.000 0.293 133 Y C 2.114 177.992 175.900 -0.037 0.000 1.133 133 Y CA -0.016 58.054 58.100 -0.049 0.000 1.283 133 Y CB -0.121 38.306 38.460 -0.054 0.000 1.001 133 Y HN 0.187 nan 8.280 nan 0.000 0.555 134 V N -2.230 117.748 119.914 0.107 0.000 3.159 134 V HA 0.130 4.250 4.120 -0.000 0.000 0.333 134 V C 1.295 177.403 176.094 0.023 0.000 1.424 134 V CA 0.235 62.569 62.300 0.058 0.000 1.125 134 V CB -0.108 31.753 31.823 0.063 0.000 1.075 134 V HN 0.340 nan 8.190 nan 0.000 0.482 135 Q N 0.739 120.544 119.800 0.009 0.000 2.123 135 Q HA 0.037 4.377 4.340 -0.000 0.000 0.199 135 Q C 0.888 176.884 176.000 -0.007 0.000 0.966 135 Q CA 1.337 57.143 55.803 0.004 0.000 0.845 135 Q CB -0.239 28.496 28.738 -0.006 0.000 0.907 135 Q HN 0.701 nan 8.270 nan 0.000 0.439 136 N N 1.826 120.514 118.700 -0.020 0.000 2.401 136 N HA 0.085 4.824 4.740 -0.000 0.000 0.255 136 N C -1.058 174.437 175.510 -0.025 0.000 1.110 136 N CA 0.119 53.151 53.050 -0.030 0.000 0.949 136 N CB 0.696 39.155 38.487 -0.048 0.000 1.110 136 N HN 0.345 nan 8.380 nan 0.000 0.490 137 Q N 0.871 120.658 119.800 -0.023 0.000 2.397 137 Q HA 0.501 4.841 4.340 -0.000 0.000 0.275 137 Q C -1.273 174.713 176.000 -0.024 0.000 1.090 137 Q CA -0.704 55.088 55.803 -0.019 0.000 0.809 137 Q CB 2.632 31.365 28.738 -0.008 0.000 1.362 137 Q HN 0.430 nan 8.270 nan 0.000 0.431 138 S N 0.073 115.759 115.700 -0.022 0.000 2.550 138 S HA 0.179 4.649 4.470 -0.000 0.000 0.270 138 S C -0.141 174.444 174.600 -0.026 0.000 1.145 138 S CA -0.488 57.698 58.200 -0.023 0.000 0.852 138 S CB 1.757 64.945 63.200 -0.020 0.000 1.119 138 S HN 0.733 nan 8.310 nan 0.000 0.465 139 E N 0.688 120.864 120.200 -0.040 0.000 2.208 139 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 139 E C -0.384 176.179 176.600 -0.060 0.000 0.988 139 E CA 0.642 57.003 56.400 -0.066 0.000 0.828 139 E CB 0.103 29.750 29.700 -0.089 0.000 0.763 139 E HN 0.556 nan 8.360 nan 0.000 0.478 140 D N -0.047 120.338 120.400 -0.025 0.000 2.468 140 D HA 0.007 4.647 4.640 -0.000 0.000 0.218 140 D C 0.060 176.436 176.300 0.126 0.000 1.155 140 D CA -0.312 53.696 54.000 0.013 0.000 0.924 140 D CB 0.000 40.821 40.800 0.035 0.000 1.029 140 D HN 0.065 nan 8.370 nan 0.000 0.515 141 c N 2.657 121.311 118.600 0.089 0.000 3.657 141 c HA 0.366 4.936 4.570 -0.000 0.000 0.291 141 c C 0.777 174.967 174.090 0.167 0.000 1.572 141 c CA -0.716 55.721 56.329 0.179 0.000 1.818 141 c CB -1.333 41.215 42.510 0.064 0.000 2.903 141 c HN 0.461 nan 8.230 nan 0.000 0.632 142 L N 2.380 123.504 121.223 -0.165 0.000 2.415 142 L HA 0.314 4.654 4.340 -0.000 0.000 0.269 142 L C -1.080 175.170 176.870 -1.033 0.000 1.244 142 L CA 0.804 55.287 54.840 -0.597 0.000 1.113 142 L CB -0.949 40.657 42.059 -0.756 0.000 1.352 142 L HN 0.385 nan 8.230 nan 0.000 0.433 143 Y N 1.945 122.038 120.300 -0.345 0.000 2.433 143 Y HA 0.460 5.010 4.550 -0.000 0.000 0.337 143 Y C -0.139 175.830 175.900 0.115 0.000 1.026 143 Y CA -1.352 56.629 58.100 -0.198 0.000 1.037 143 Y CB 1.877 40.249 38.460 -0.146 0.000 1.245 143 Y HN 0.234 nan 8.280 nan 0.000 0.443 144 L N 0.623 122.017 121.223 0.285 0.000 2.334 144 L HA 0.745 5.085 4.340 -0.000 0.000 0.275 144 L C -0.840 176.091 176.870 0.102 0.000 1.036 144 L CA -0.876 54.093 54.840 0.214 0.000 0.807 144 L CB 1.019 43.145 42.059 0.112 0.000 1.231 144 L HN 0.384 nan 8.230 nan 0.000 0.438 145 N N 2.795 121.579 118.700 0.141 0.000 2.408 145 N HA 0.617 5.357 4.740 -0.000 0.000 0.280 145 N C -1.132 174.396 175.510 0.030 0.000 1.002 145 N CA -0.213 52.871 53.050 0.057 0.000 0.907 145 N CB 1.832 40.367 38.487 0.080 0.000 1.161 145 N HN 0.644 nan 8.380 nan 0.000 0.488 146 L N 2.510 123.693 121.223 -0.067 0.000 2.295 146 L HA 0.440 4.780 4.340 -0.000 0.000 0.285 146 L C -0.863 175.940 176.870 -0.110 0.000 1.035 146 L CA -0.762 54.072 54.840 -0.010 0.000 0.806 146 L CB 0.688 42.685 42.059 -0.103 0.000 1.214 146 L HN 0.459 nan 8.230 nan 0.000 0.426 147 Y N 2.658 123.073 120.300 0.192 0.000 2.376 147 Y HA 0.437 4.987 4.550 -0.000 0.000 0.326 147 Y C -0.061 175.947 175.900 0.180 0.000 0.970 147 Y CA -1.016 57.194 58.100 0.182 0.000 1.248 147 Y CB 1.747 40.305 38.460 0.164 0.000 1.117 147 Y HN 0.256 nan 8.280 nan 0.000 0.476 148 V N 2.134 122.236 119.914 0.312 0.000 2.513 148 V HA 0.767 4.887 4.120 -0.000 0.000 0.299 148 V C -2.801 173.420 176.094 0.212 0.000 1.035 148 V CA -2.883 59.582 62.300 0.274 0.000 0.889 148 V CB 1.780 33.819 31.823 0.361 0.000 0.988 148 V HN 0.404 nan 8.190 nan 0.000 0.440 149 P HA 0.445 nan 4.420 nan 0.000 0.284 149 P C -0.163 177.202 177.300 0.110 0.000 1.258 149 P CA -0.006 63.168 63.100 0.123 0.000 0.824 149 P CB 1.534 33.290 31.700 0.093 0.000 1.038 176 K N -0.363 120.044 120.400 0.013 0.000 2.250 176 K HA 0.596 4.916 4.320 -0.000 0.000 0.261 176 K C -1.137 175.477 176.600 0.024 0.000 1.047 176 K CA -0.607 55.693 56.287 0.021 0.000 0.884 176 K CB 1.650 34.162 32.500 0.019 0.000 1.476 176 K HN 0.444 nan 8.250 nan 0.000 0.445 177 K N 1.606 122.028 120.400 0.037 0.000 2.270 177 K HA 0.474 4.794 4.320 -0.000 0.000 0.255 177 K C -2.467 174.157 176.600 0.039 0.000 0.936 177 K CA -1.830 54.481 56.287 0.040 0.000 0.809 177 K CB 1.655 34.191 32.500 0.061 0.000 1.131 177 K HN 0.216 nan 8.250 nan 0.000 0.427 178 P HA 0.183 nan 4.420 nan 0.000 0.276 178 P C -0.913 176.413 177.300 0.044 0.000 1.252 178 P CA -0.595 62.518 63.100 0.022 0.000 0.802 178 P CB 0.744 32.442 31.700 -0.002 0.000 1.035 179 V N 2.314 122.258 119.914 0.051 0.000 2.604 179 V HA 0.480 4.600 4.120 -0.000 0.000 0.305 179 V C -0.032 176.114 176.094 0.087 0.000 1.043 179 V CA -0.394 61.954 62.300 0.080 0.000 0.888 179 V CB 1.575 33.452 31.823 0.089 0.000 0.995 179 V HN 0.434 nan 8.190 nan 0.000 0.429 180 M N 5.833 125.508 119.600 0.126 0.000 2.093 180 M HA 0.451 4.931 4.480 -0.000 0.000 0.297 180 M C -1.422 175.103 176.300 0.374 0.000 0.938 180 M CA -0.567 54.851 55.300 0.197 0.000 0.920 180 M CB 2.020 34.624 32.600 0.006 0.000 1.517 180 M HN 0.349 nan 8.290 nan 0.000 0.427 181 L N 4.374 125.793 121.223 0.328 0.000 2.275 181 L HA 0.525 4.864 4.340 -0.000 0.000 0.288 181 L C -1.561 175.409 176.870 0.166 0.000 1.046 181 L CA -0.179 54.795 54.840 0.224 0.000 0.805 181 L CB 0.887 42.966 42.059 0.034 0.000 1.193 181 L HN 0.690 nan 8.230 nan 0.000 0.426 182 F N 5.705 125.584 119.950 -0.117 0.000 2.410 182 F HA 0.390 4.916 4.527 -0.000 0.000 0.349 182 F C -0.613 174.975 175.800 -0.353 0.000 1.117 182 F CA -0.817 56.842 58.000 -0.568 0.000 1.104 182 F CB 1.044 39.728 39.000 -0.526 0.000 1.122 182 F HN 0.305 nan 8.300 nan 0.000 0.483 183 L N 6.745 127.252 121.223 -1.194 0.000 2.257 183 L HA 0.195 4.535 4.340 -0.000 0.000 0.290 183 L C -0.206 175.849 176.870 -1.359 0.000 1.044 183 L CA -0.620 53.617 54.840 -1.005 0.000 0.810 183 L CB 0.523 42.178 42.059 -0.674 0.000 1.193 183 L HN 0.595 nan 8.230 nan 0.000 0.425 184 H N 0.223 118.871 119.070 -0.704 0.000 2.540 184 H HA 0.610 5.166 4.556 -0.000 0.000 0.264 184 H C 0.407 175.661 175.328 -0.123 0.000 1.427 184 H CA -0.720 55.029 56.048 -0.499 0.000 1.103 184 H CB -0.201 29.481 29.762 -0.133 0.000 1.572 184 H HN 0.532 nan 8.280 nan 0.000 0.511 185 G N -0.358 108.350 108.800 -0.154 0.000 2.353 185 G HA2 0.448 4.407 3.960 -0.000 0.000 0.284 185 G HA3 0.448 4.407 3.960 -0.000 0.000 0.284 185 G C 0.468 175.262 174.900 -0.177 0.000 1.172 185 G CA -0.235 44.779 45.100 -0.145 0.000 0.854 185 G HN 0.585 nan 8.290 nan 0.000 0.485 186 G N 0.814 109.449 108.800 -0.274 0.000 2.710 186 G HA2 0.393 4.353 3.960 -0.000 0.000 0.215 186 G HA3 0.393 4.353 3.960 -0.000 0.000 0.215 186 G C 0.719 175.363 174.900 -0.427 0.000 1.345 186 G CA 0.813 45.704 45.100 -0.349 0.000 0.812 186 G HN 1.177 nan 8.290 nan 0.000 0.606 187 S N -1.000 114.446 115.700 -0.424 0.000 2.568 187 S HA 0.468 4.938 4.470 -0.000 0.000 0.302 187 S C 0.397 174.794 174.600 -0.339 0.000 1.082 187 S CA -0.647 57.299 58.200 -0.422 0.000 1.009 187 S CB 1.531 64.562 63.200 -0.281 0.000 1.069 187 S HN 0.267 nan 8.310 nan 0.000 0.500 188 Y N 1.069 121.241 120.300 -0.213 0.000 2.651 188 Y HA -0.074 4.476 4.550 -0.000 0.000 0.293 188 Y C 2.142 178.003 175.900 -0.065 0.000 1.151 188 Y CA 0.649 58.613 58.100 -0.226 0.000 1.362 188 Y CB -0.599 37.510 38.460 -0.586 0.000 0.973 188 Y HN 0.514 nan 8.280 nan 0.000 0.561 189 M N -0.191 119.442 119.600 0.055 0.000 2.334 189 M HA 0.032 4.512 4.480 -0.000 0.000 0.266 189 M C 0.774 177.090 176.300 0.027 0.000 1.082 189 M CA 0.812 56.155 55.300 0.072 0.000 1.141 189 M CB -0.898 31.733 32.600 0.053 0.000 1.380 189 M HN 0.235 nan 8.290 nan 0.000 0.440 190 E N 0.186 120.355 120.200 -0.052 0.000 2.518 190 E HA 0.734 5.084 4.350 -0.000 0.000 0.248 190 E C 0.315 176.867 176.600 -0.079 0.000 1.028 190 E CA -0.565 55.782 56.400 -0.089 0.000 0.922 190 E CB 0.108 29.671 29.700 -0.229 0.000 1.299 190 E HN 0.245 nan 8.360 nan 0.000 0.457 191 G N -1.514 107.232 108.800 -0.089 0.000 2.612 191 G HA2 0.323 4.283 3.960 -0.000 0.000 0.686 191 G HA3 0.323 4.283 3.960 -0.000 0.000 0.686 191 G C -0.514 174.300 174.900 -0.144 0.000 1.274 191 G CA -0.373 44.702 45.100 -0.042 0.000 0.849 191 G HN 1.008 nan 8.290 nan 0.000 0.595 192 T N -1.410 112.891 114.554 -0.422 0.000 2.893 192 T HA 0.631 4.981 4.350 -0.000 0.000 0.337 192 T C 1.268 175.605 174.700 -0.605 0.000 1.587 192 T CA 0.805 62.527 62.100 -0.629 0.000 1.066 192 T CB 0.920 69.696 68.868 -0.153 0.000 1.414 192 T HN 2.078 nan 8.240 nan 0.000 0.488 193 G N 1.889 110.469 108.800 -0.367 0.000 2.650 193 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.214 193 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.214 193 G C 1.091 176.173 174.900 0.302 0.000 1.136 193 G CA 0.323 45.558 45.100 0.224 0.000 0.789 193 G HN 0.687 nan 8.290 nan 0.000 0.536 194 N N 0.520 119.312 118.700 0.154 0.000 2.364 194 N HA -0.016 4.724 4.740 -0.000 0.000 0.183 194 N C 1.981 177.552 175.510 0.102 0.000 1.022 194 N CA 0.620 53.776 53.050 0.177 0.000 0.883 194 N CB -0.218 38.377 38.487 0.180 0.000 0.965 194 N HN 0.317 nan 8.380 nan 0.000 0.438 195 M N -0.829 118.656 119.600 -0.192 0.000 2.619 195 M HA 0.069 4.549 4.480 -0.000 0.000 0.251 195 M C -0.614 175.140 176.300 -0.910 0.000 1.106 195 M CA 0.706 55.498 55.300 -0.846 0.000 1.086 195 M CB 0.084 32.034 32.600 -1.085 0.000 1.465 195 M HN -0.088 nan 8.290 nan 0.000 0.506 196 F N -0.241 119.555 119.950 -0.256 0.000 2.477 196 F HA 0.307 4.834 4.527 -0.000 0.000 0.335 196 F C -0.365 175.252 175.800 -0.306 0.000 1.130 196 F CA -1.487 56.222 58.000 -0.486 0.000 0.948 196 F CB 0.886 39.440 39.000 -0.744 0.000 1.154 196 F HN -0.231 nan 8.300 nan 0.000 0.439 197 D N 2.412 122.683 120.400 -0.215 0.000 2.396 197 D HA 0.200 4.840 4.640 -0.000 0.000 0.225 197 D C 1.166 177.235 176.300 -0.385 0.000 1.121 197 D CA 0.101 53.919 54.000 -0.305 0.000 0.853 197 D CB 1.824 42.539 40.800 -0.140 0.000 1.043 197 D HN 0.815 nan 8.370 nan 0.000 0.500 198 G N 1.456 109.641 108.800 -1.025 0.000 2.559 198 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 198 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 198 G C 1.537 176.249 174.900 -0.312 0.000 1.126 198 G CA 0.309 45.082 45.100 -0.546 0.000 0.778 198 G HN 0.417 nan 8.290 nan 0.000 0.543 199 S N 0.533 116.024 115.700 -0.348 0.000 2.381 199 S HA -0.225 4.245 4.470 -0.000 0.000 0.230 199 S C 2.413 177.021 174.600 0.014 0.000 1.052 199 S CA 1.642 59.859 58.200 0.028 0.000 1.068 199 S CB -0.498 62.749 63.200 0.080 0.000 0.918 199 S HN 0.266 nan 8.310 nan 0.000 0.448 200 V N 1.461 121.355 119.914 -0.033 0.000 2.379 200 V HA -0.029 4.091 4.120 -0.000 0.000 0.245 200 V C 2.162 178.248 176.094 -0.013 0.000 1.044 200 V CA 1.343 63.624 62.300 -0.032 0.000 1.036 200 V CB -0.740 31.037 31.823 -0.078 0.000 0.664 200 V HN 0.353 nan 8.190 nan 0.000 0.453 201 L N 0.147 121.349 121.223 -0.036 0.000 2.044 201 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 201 L C 2.643 179.529 176.870 0.027 0.000 1.075 201 L CA 1.531 56.342 54.840 -0.048 0.000 0.747 201 L CB -0.507 41.434 42.059 -0.197 0.000 0.903 201 L HN 0.295 nan 8.230 nan 0.000 0.435 202 A N -0.084 122.759 122.820 0.038 0.000 1.908 202 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 202 A C 2.415 180.047 177.584 0.080 0.000 1.181 202 A CA 1.922 54.008 52.037 0.081 0.000 0.627 202 A CB -1.006 18.087 19.000 0.155 0.000 0.818 202 A HN 0.570 nan 8.150 nan 0.000 0.445 203 A N -1.451 121.422 122.820 0.087 0.000 1.865 203 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 203 A C 2.223 179.856 177.584 0.082 0.000 1.191 203 A CA 1.827 53.913 52.037 0.082 0.000 0.623 203 A CB -0.886 18.161 19.000 0.078 0.000 0.826 203 A HN 0.815 nan 8.150 nan 0.000 0.444 204 Y N 0.397 120.681 120.300 -0.026 0.000 2.184 204 Y HA 0.100 4.649 4.550 -0.000 0.000 0.290 204 Y C 2.367 178.245 175.900 -0.037 0.000 1.129 204 Y CA 1.489 59.566 58.100 -0.038 0.000 1.144 204 Y CB -0.640 37.783 38.460 -0.063 0.000 0.995 204 Y HN 0.205 nan 8.280 nan 0.000 0.513 205 G N -0.247 108.528 108.800 -0.041 0.000 2.598 205 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.215 205 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.215 205 G C 0.634 175.458 174.900 -0.127 0.000 1.131 205 G CA 0.597 45.620 45.100 -0.129 0.000 0.785 205 G HN 0.633 nan 8.290 nan 0.000 0.539 206 N N -0.944 117.707 118.700 -0.081 0.000 2.754 206 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 206 N C 0.030 175.537 175.510 -0.005 0.000 1.093 206 N CA 0.490 53.517 53.050 -0.039 0.000 0.699 206 N CB -1.253 37.196 38.487 -0.063 0.000 1.016 206 N HN 0.486 nan 8.380 nan 0.000 0.552 207 V N -2.116 117.805 119.914 0.012 0.000 3.158 207 V HA 0.754 4.873 4.120 -0.000 0.000 0.315 207 V C 0.472 176.612 176.094 0.077 0.000 1.148 207 V CA -1.028 61.292 62.300 0.032 0.000 1.042 207 V CB 2.076 33.903 31.823 0.006 0.000 1.101 207 V HN 0.069 nan 8.190 nan 0.000 0.448 208 I N 1.539 122.168 120.570 0.099 0.000 2.330 208 I HA 0.448 4.618 4.170 -0.000 0.000 0.289 208 I C -0.552 175.668 176.117 0.173 0.000 1.001 208 I CA -0.753 60.637 61.300 0.149 0.000 1.193 208 I CB 1.700 39.789 38.000 0.148 0.000 1.345 208 I HN 0.413 nan 8.210 nan 0.000 0.461 209 V N 7.324 127.380 119.914 0.236 0.000 2.432 209 V HA 0.427 4.547 4.120 -0.000 0.000 0.275 209 V C 0.474 176.819 176.094 0.418 0.000 1.043 209 V CA -0.570 61.905 62.300 0.292 0.000 0.925 209 V CB 1.397 33.353 31.823 0.221 0.000 0.985 209 V HN 0.544 nan 8.190 nan 0.000 0.466 210 V N 3.457 123.599 119.914 0.379 0.000 2.320 210 V HA 0.581 4.701 4.120 -0.000 0.000 0.268 210 V C 0.246 176.552 176.094 0.353 0.000 1.021 210 V CA -0.366 62.136 62.300 0.336 0.000 0.813 210 V CB 1.408 33.361 31.823 0.217 0.000 1.054 210 V HN 0.794 nan 8.190 nan 0.000 0.444 211 T N 5.458 120.285 114.554 0.453 0.000 2.832 211 T HA 0.645 4.995 4.350 -0.000 0.000 0.296 211 T C -0.108 174.802 174.700 0.349 0.000 0.968 211 T CA 0.282 62.644 62.100 0.437 0.000 1.107 211 T CB 0.393 69.573 68.868 0.520 0.000 0.916 211 T HN 1.101 nan 8.240 nan 0.000 0.517 212 L N 3.774 125.188 121.223 0.319 0.000 2.347 212 L HA 0.876 5.215 4.340 -0.000 0.000 0.268 212 L C -0.546 176.602 176.870 0.463 0.000 1.019 212 L CA -1.122 53.902 54.840 0.308 0.000 0.806 212 L CB 1.730 43.871 42.059 0.138 0.000 1.339 212 L HN 0.466 nan 8.230 nan 0.000 0.463 213 N N -0.007 118.978 118.700 0.475 0.000 2.480 213 N HA 0.432 5.172 4.740 -0.000 0.000 0.289 213 N C -1.727 174.019 175.510 0.393 0.000 1.073 213 N CA -0.378 52.929 53.050 0.428 0.000 0.885 213 N CB 1.293 39.937 38.487 0.263 0.000 1.421 213 N HN 0.671 nan 8.380 nan 0.000 0.503 214 Y N 0.043 120.492 120.300 0.249 0.000 2.587 214 Y HA 0.641 5.191 4.550 -0.000 0.000 0.337 214 Y C 0.390 176.365 175.900 0.126 0.000 1.065 214 Y CA -1.313 56.891 58.100 0.173 0.000 1.126 214 Y CB 0.752 39.258 38.460 0.077 0.000 1.279 214 Y HN 0.144 nan 8.280 nan 0.000 0.489 215 R N 1.780 122.372 120.500 0.153 0.000 2.538 215 R HA 0.319 4.659 4.340 -0.000 0.000 0.282 215 R C -1.032 175.338 176.300 0.117 0.000 1.009 215 R CA 0.173 56.296 56.100 0.038 0.000 1.063 215 R CB 0.032 30.310 30.300 -0.038 0.000 0.945 215 R HN 0.673 nan 8.270 nan 0.000 0.414 216 L N 1.681 122.971 121.223 0.112 0.000 2.303 216 L HA 0.573 4.913 4.340 -0.000 0.000 0.266 216 L C 1.204 178.259 176.870 0.308 0.000 1.011 216 L CA -0.621 54.391 54.840 0.287 0.000 0.818 216 L CB 1.567 43.686 42.059 0.100 0.000 1.326 216 L HN 0.864 nan 8.230 nan 0.000 0.435 217 G N 0.401 109.454 108.800 0.422 0.000 2.596 217 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.295 217 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.295 217 G C 0.821 175.866 174.900 0.240 0.000 1.240 217 G CA 0.180 45.452 45.100 0.287 0.000 0.985 217 G HN 0.491 nan 8.290 nan 0.000 0.555 218 V N 0.348 120.243 119.914 -0.031 0.000 2.287 218 V HA -0.104 4.016 4.120 -0.000 0.000 0.248 218 V C 2.731 178.843 176.094 0.030 0.000 1.053 218 V CA 2.501 64.618 62.300 -0.306 0.000 1.027 218 V CB -0.607 30.955 31.823 -0.436 0.000 0.646 218 V HN 0.510 nan 8.190 nan 0.000 0.447 219 L N 0.077 121.333 121.223 0.055 0.000 2.693 219 L HA 0.216 4.556 4.340 -0.000 0.000 0.242 219 L C 1.562 178.408 176.870 -0.041 0.000 1.157 219 L CA 0.793 55.633 54.840 0.001 0.000 0.929 219 L CB -0.149 41.851 42.059 -0.099 0.000 1.103 219 L HN 0.404 nan 8.230 nan 0.000 0.430 220 G N -1.811 107.036 108.800 0.079 0.000 2.453 220 G HA2 0.077 4.037 3.960 -0.000 0.000 0.184 220 G HA3 0.077 4.037 3.960 -0.000 0.000 0.184 220 G C 0.130 174.857 174.900 -0.288 0.000 1.342 220 G CA -0.072 44.969 45.100 -0.099 0.000 0.771 220 G HN 0.182 nan 8.290 nan 0.000 0.956 221 F N 1.086 121.167 119.950 0.218 0.000 2.564 221 F HA 0.539 5.065 4.527 -0.000 0.000 0.329 221 F C -0.483 175.459 175.800 0.237 0.000 1.458 221 F CA -0.549 57.546 58.000 0.159 0.000 1.117 221 F CB 1.444 40.473 39.000 0.049 0.000 1.383 221 F HN -0.089 nan 8.300 nan 0.000 0.571 222 L N 1.299 122.771 121.223 0.414 0.000 2.319 222 L HA 0.668 5.008 4.340 -0.000 0.000 0.281 222 L C -0.237 176.790 176.870 0.263 0.000 1.005 222 L CA -0.166 54.879 54.840 0.343 0.000 0.828 222 L CB 1.356 43.523 42.059 0.181 0.000 1.227 222 L HN 0.248 nan 8.230 nan 0.000 0.415 223 S N 1.040 116.848 115.700 0.179 0.000 2.607 223 S HA 0.600 5.069 4.470 -0.000 0.000 0.303 223 S C 0.544 175.189 174.600 0.076 0.000 1.086 223 S CA 0.068 58.323 58.200 0.092 0.000 0.995 223 S CB 1.737 64.952 63.200 0.026 0.000 1.084 223 S HN 0.737 nan 8.310 nan 0.000 0.507 224 T N -0.665 113.917 114.554 0.046 0.000 3.043 224 T HA 0.431 4.781 4.350 -0.000 0.000 0.272 224 T C 1.400 176.112 174.700 0.020 0.000 0.990 224 T CA 0.726 62.844 62.100 0.030 0.000 0.897 224 T CB 0.140 69.017 68.868 0.015 0.000 1.111 224 T HN 1.566 nan 8.240 nan 0.000 0.529 225 G N 1.535 110.344 108.800 0.016 0.000 2.347 225 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.247 225 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.247 225 G C -0.097 174.806 174.900 0.006 0.000 1.037 225 G CA 0.383 45.488 45.100 0.007 0.000 0.622 225 G HN 0.624 nan 8.290 nan 0.000 0.521 226 D N -0.263 120.143 120.400 0.010 0.000 2.478 226 D HA 0.523 5.163 4.640 -0.000 0.000 0.274 226 D C 1.699 178.009 176.300 0.017 0.000 1.234 226 D CA -0.389 53.618 54.000 0.011 0.000 1.069 226 D CB 0.199 41.005 40.800 0.010 0.000 1.113 226 D HN 0.047 nan 8.370 nan 0.000 0.571 227 Q N -0.172 119.640 119.800 0.019 0.000 2.167 227 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 227 Q C 1.918 177.944 176.000 0.043 0.000 0.970 227 Q CA 0.920 56.740 55.803 0.028 0.000 0.855 227 Q CB -0.398 28.354 28.738 0.023 0.000 0.911 227 Q HN 0.504 nan 8.270 nan 0.000 0.438 228 A N 1.460 124.300 122.820 0.034 0.000 1.896 228 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 228 A C 1.209 178.832 177.584 0.065 0.000 1.206 228 A CA 1.877 53.935 52.037 0.034 0.000 0.647 228 A CB -0.338 18.669 19.000 0.013 0.000 0.828 228 A HN 0.322 nan 8.150 nan 0.000 0.455 229 A N -1.910 120.959 122.820 0.083 0.000 2.357 229 A HA 0.598 4.918 4.320 -0.000 0.000 0.295 229 A C 0.609 178.276 177.584 0.138 0.000 1.121 229 A CA -0.607 51.538 52.037 0.179 0.000 0.742 229 A CB 1.019 20.108 19.000 0.148 0.000 1.181 229 A HN 0.120 nan 8.150 nan 0.000 0.454 230 K N 1.557 122.051 120.400 0.156 0.000 2.155 230 K HA 0.173 4.493 4.320 -0.000 0.000 0.203 230 K C 1.200 177.666 176.600 -0.223 0.000 1.052 230 K CA 1.374 57.642 56.287 -0.032 0.000 0.948 230 K CB -0.323 32.162 32.500 -0.025 0.000 0.728 230 K HN 1.722 nan 8.250 nan 0.000 0.448 231 G N 1.325 109.811 108.800 -0.523 0.000 2.685 231 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.387 231 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.387 231 G C -0.550 173.813 174.900 -0.896 0.000 1.324 231 G CA -0.312 44.428 45.100 -0.599 0.000 0.878 231 G HN 0.244 nan 8.290 nan 0.000 0.527 232 N N -1.418 116.998 118.700 -0.472 0.000 2.727 232 N HA -0.221 4.518 4.740 -0.000 0.000 0.249 232 N C 0.684 175.904 175.510 -0.483 0.000 1.048 232 N CA 1.624 54.460 53.050 -0.357 0.000 0.714 232 N CB -0.927 37.409 38.487 -0.251 0.000 0.959 232 N HN 0.644 nan 8.380 nan 0.000 0.544 233 Y N -0.539 119.581 120.300 -0.300 0.000 2.519 233 Y HA 0.114 4.664 4.550 -0.000 0.000 0.287 233 Y C 2.373 178.038 175.900 -0.391 0.000 1.128 233 Y CA 0.956 58.895 58.100 -0.269 0.000 1.282 233 Y CB -0.025 38.332 38.460 -0.171 0.000 1.027 233 Y HN 0.294 nan 8.280 nan 0.000 0.551 234 G N -0.476 107.888 108.800 -0.727 0.000 2.426 234 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.214 234 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.214 234 G C 1.574 176.330 174.900 -0.241 0.000 1.156 234 G CA 0.258 44.980 45.100 -0.630 0.000 0.802 234 G HN 0.333 nan 8.290 nan 0.000 0.534 235 L N -0.053 121.041 121.223 -0.215 0.000 2.201 235 L HA 0.117 4.457 4.340 -0.000 0.000 0.212 235 L C 2.665 179.456 176.870 -0.133 0.000 1.105 235 L CA 0.379 55.145 54.840 -0.123 0.000 0.775 235 L CB -0.166 41.850 42.059 -0.072 0.000 0.913 235 L HN 0.177 nan 8.230 nan 0.000 0.440 236 L N -0.845 120.305 121.223 -0.121 0.000 2.240 236 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 236 L C 2.023 178.900 176.870 0.011 0.000 1.106 236 L CA 0.554 55.358 54.840 -0.060 0.000 0.793 236 L CB -0.343 41.694 42.059 -0.037 0.000 0.927 236 L HN 0.245 nan 8.230 nan 0.000 0.446 237 D N -0.215 120.206 120.400 0.035 0.000 2.123 237 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 237 D C 2.179 178.490 176.300 0.018 0.000 0.976 237 D CA 1.038 55.136 54.000 0.162 0.000 0.831 237 D CB -0.083 40.873 40.800 0.260 0.000 0.974 237 D HN 0.391 nan 8.370 nan 0.000 0.469 238 Q N 0.431 120.165 119.800 -0.108 0.000 2.030 238 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 238 Q C 2.429 178.302 176.000 -0.212 0.000 0.986 238 Q CA 0.739 56.389 55.803 -0.255 0.000 0.843 238 Q CB -0.086 28.434 28.738 -0.363 0.000 0.904 238 Q HN 0.300 nan 8.270 nan 0.000 0.420 239 I N 0.446 120.946 120.570 -0.116 0.000 2.614 239 I HA -0.225 3.945 4.170 -0.000 0.000 0.258 239 I C 2.149 178.274 176.117 0.013 0.000 1.189 239 I CA 0.830 62.112 61.300 -0.031 0.000 1.462 239 I CB 0.132 38.145 38.000 0.022 0.000 1.092 239 I HN 0.258 nan 8.210 nan 0.000 0.442 240 Q N 0.364 120.168 119.800 0.005 0.000 2.398 240 Q HA 0.064 4.404 4.340 -0.000 0.000 0.204 240 Q C 1.996 178.006 176.000 0.016 0.000 0.932 240 Q CA 1.037 56.894 55.803 0.090 0.000 0.916 240 Q CB 0.410 29.256 28.738 0.181 0.000 1.024 240 Q HN 0.603 nan 8.270 nan 0.000 0.504 241 A N -0.059 122.538 122.820 -0.372 0.000 1.970 241 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 241 A C 1.918 179.423 177.584 -0.132 0.000 1.170 241 A CA 0.616 52.240 52.037 -0.689 0.000 0.645 241 A CB -0.191 18.059 19.000 -1.251 0.000 0.816 241 A HN 0.298 nan 8.150 nan 0.000 0.447 242 L N -0.702 120.476 121.223 -0.075 0.000 2.109 242 L HA 0.044 4.384 4.340 -0.000 0.000 0.207 242 L C 2.475 179.418 176.870 0.120 0.000 1.086 242 L CA 1.421 56.280 54.840 0.032 0.000 0.760 242 L CB -0.504 41.561 42.059 0.010 0.000 0.910 242 L HN 0.336 nan 8.230 nan 0.000 0.437 243 R N -1.770 118.812 120.500 0.137 0.000 2.120 243 R HA -0.247 4.093 4.340 -0.000 0.000 0.234 243 R C 2.192 178.619 176.300 0.211 0.000 1.123 243 R CA 1.642 57.839 56.100 0.162 0.000 0.975 243 R CB -0.354 30.047 30.300 0.169 0.000 0.866 243 R HN 0.446 nan 8.270 nan 0.000 0.446 244 W N 0.163 121.519 121.300 0.093 0.000 2.418 244 W HA -0.132 4.528 4.660 -0.000 0.000 0.292 244 W C 1.457 178.047 176.519 0.118 0.000 1.213 244 W CA 0.688 58.124 57.345 0.152 0.000 1.283 244 W CB -0.089 29.479 29.460 0.180 0.000 1.119 244 W HN 0.023 nan 8.180 nan 0.000 0.542 245 L N -0.064 121.358 121.223 0.331 0.000 2.156 245 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 245 L C 2.648 179.538 176.870 0.033 0.000 1.095 245 L CA 1.969 56.913 54.840 0.174 0.000 0.770 245 L CB -1.395 40.778 42.059 0.189 0.000 0.914 245 L HN -0.093 nan 8.230 nan 0.000 0.439 246 S N -1.134 114.596 115.700 0.050 0.000 2.442 246 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 246 S C 1.798 176.368 174.600 -0.051 0.000 1.007 246 S CA 1.354 59.566 58.200 0.021 0.000 0.965 246 S CB 0.057 63.290 63.200 0.055 0.000 0.773 246 S HN 0.536 nan 8.310 nan 0.000 0.504 247 E N -0.013 120.121 120.200 -0.110 0.000 2.132 247 E HA 0.130 4.480 4.350 -0.000 0.000 0.193 247 E C 1.481 177.880 176.600 -0.335 0.000 0.951 247 E CA 0.551 56.836 56.400 -0.192 0.000 0.843 247 E CB 0.007 29.602 29.700 -0.175 0.000 0.807 247 E HN 0.354 nan 8.360 nan 0.000 0.467 248 N N 0.342 118.768 118.700 -0.457 0.000 2.356 248 N HA 0.038 4.778 4.740 -0.000 0.000 0.178 248 N C 1.341 176.695 175.510 -0.261 0.000 1.075 248 N CA 0.129 52.857 53.050 -0.537 0.000 0.889 248 N CB 0.287 38.212 38.487 -0.937 0.000 0.999 248 N HN 0.001 nan 8.380 nan 0.000 0.464 249 I N 1.086 121.577 120.570 -0.132 0.000 2.700 249 I HA -0.139 4.031 4.170 -0.000 0.000 0.261 249 I C 1.887 178.015 176.117 0.018 0.000 1.219 249 I CA 0.224 61.566 61.300 0.070 0.000 1.463 249 I CB -0.303 37.730 38.000 0.055 0.000 1.092 249 I HN 0.124 nan 8.210 nan 0.000 0.452 250 A N 0.150 122.861 122.820 -0.181 0.000 1.903 250 A HA -0.332 3.988 4.320 -0.000 0.000 0.219 250 A C 2.090 179.578 177.584 -0.160 0.000 1.191 250 A CA 2.522 54.427 52.037 -0.220 0.000 0.638 250 A CB -1.350 17.432 19.000 -0.364 0.000 0.823 250 A HN 0.666 nan 8.150 nan 0.000 0.451 251 H N -2.890 116.152 119.070 -0.047 0.000 2.462 251 H HA 0.074 4.630 4.556 -0.000 0.000 0.292 251 H C 1.183 176.402 175.328 -0.181 0.000 1.049 251 H CA 0.965 56.921 56.048 -0.153 0.000 1.334 251 H CB -0.175 29.419 29.762 -0.279 0.000 1.404 251 H HN 0.530 nan 8.280 nan 0.000 0.544 252 F N 0.438 120.412 119.950 0.040 0.000 2.769 252 F HA 0.161 4.688 4.527 -0.000 0.000 0.304 252 F C 1.631 177.472 175.800 0.068 0.000 1.158 252 F CA 0.563 58.592 58.000 0.048 0.000 1.398 252 F CB 0.192 39.206 39.000 0.024 0.000 1.094 252 F HN 0.321 nan 8.300 nan 0.000 0.553 253 G N 0.191 109.089 108.800 0.165 0.000 2.148 253 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.254 253 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.254 253 G C 0.772 175.741 174.900 0.115 0.000 0.981 253 G CA -0.086 45.088 45.100 0.123 0.000 0.670 253 G HN 0.737 nan 8.290 nan 0.000 0.528 254 G N -0.779 108.097 108.800 0.127 0.000 2.525 254 G HA2 0.523 4.483 3.960 -0.000 0.000 0.287 254 G HA3 0.523 4.483 3.960 -0.000 0.000 0.287 254 G C -0.599 174.331 174.900 0.051 0.000 1.350 254 G CA 0.415 45.572 45.100 0.094 0.000 1.039 254 G HN 0.593 nan 8.290 nan 0.000 0.513 255 D N -1.355 119.069 120.400 0.040 0.000 2.386 255 D HA 0.388 5.028 4.640 -0.000 0.000 0.247 255 D C -2.266 174.047 176.300 0.021 0.000 1.336 255 D CA -1.662 52.351 54.000 0.021 0.000 0.976 255 D CB 1.913 42.724 40.800 0.018 0.000 1.257 255 D HN -0.034 nan 8.370 nan 0.000 0.570 256 P HA 0.074 nan 4.420 nan 0.000 0.279 256 P C 0.029 177.341 177.300 0.021 0.000 1.451 256 P CA 0.407 63.515 63.100 0.013 0.000 0.783 256 P CB 0.326 32.018 31.700 -0.013 0.000 1.490 257 E N -1.190 119.022 120.200 0.019 0.000 2.606 257 E HA 0.190 4.540 4.350 -0.000 0.000 0.224 257 E C 0.722 177.331 176.600 0.014 0.000 0.930 257 E CA 0.117 56.526 56.400 0.015 0.000 1.125 257 E CB 0.719 30.420 29.700 0.002 0.000 1.123 257 E HN 0.266 nan 8.360 nan 0.000 0.522 258 R N 0.720 121.232 120.500 0.019 0.000 2.688 258 R HA 0.385 4.725 4.340 -0.000 0.000 0.396 258 R C -0.156 176.163 176.300 0.032 0.000 1.081 258 R CA -0.130 55.974 56.100 0.007 0.000 1.093 258 R CB 0.691 30.980 30.300 -0.018 0.000 1.338 258 R HN -0.054 nan 8.270 nan 0.000 0.613 259 I N 1.542 122.156 120.570 0.073 0.000 2.452 259 I HA 0.085 4.255 4.170 -0.000 0.000 0.287 259 I C 0.277 176.473 176.117 0.131 0.000 1.079 259 I CA 0.569 61.930 61.300 0.101 0.000 1.387 259 I CB 1.064 39.140 38.000 0.126 0.000 1.404 259 I HN -0.011 nan 8.210 nan 0.000 0.522 260 T N 7.147 121.757 114.554 0.093 0.000 2.888 260 T HA 0.584 4.933 4.350 -0.000 0.000 0.284 260 T C -0.338 174.406 174.700 0.075 0.000 1.017 260 T CA -0.453 61.706 62.100 0.099 0.000 1.022 260 T CB 2.158 71.065 68.868 0.066 0.000 1.013 260 T HN 0.376 nan 8.240 nan 0.000 0.465 261 I N 3.661 124.224 120.570 -0.012 0.000 2.474 261 I HA 0.744 4.913 4.170 -0.000 0.000 0.294 261 I C -1.543 174.666 176.117 0.154 0.000 1.005 261 I CA -1.129 60.125 61.300 -0.076 0.000 1.113 261 I CB 0.853 38.515 38.000 -0.563 0.000 1.289 261 I HN 0.687 nan 8.210 nan 0.000 0.436 262 F N 5.367 125.297 119.950 -0.032 0.000 2.619 262 F HA 0.964 5.491 4.527 -0.000 0.000 0.308 262 F C -0.743 175.124 175.800 0.111 0.000 1.097 262 F CA -0.917 57.125 58.000 0.070 0.000 0.953 262 F CB 1.337 40.430 39.000 0.156 0.000 1.287 262 F HN 0.571 nan 8.300 nan 0.000 0.446 263 G N 0.837 109.647 108.800 0.016 0.000 2.616 263 G HA2 0.514 4.474 3.960 -0.000 0.000 0.294 263 G HA3 0.514 4.474 3.960 -0.000 0.000 0.294 263 G C -2.176 172.785 174.900 0.101 0.000 1.489 263 G CA -0.435 44.561 45.100 -0.173 0.000 0.836 263 G HN 0.961 nan 8.290 nan 0.000 0.527 264 S N -0.645 115.155 115.700 0.168 0.000 2.747 264 S HA 0.848 5.318 4.470 -0.000 0.000 0.300 264 S C 1.316 175.995 174.600 0.131 0.000 1.121 264 S CA 1.283 59.617 58.200 0.222 0.000 0.995 264 S CB 0.922 64.336 63.200 0.357 0.000 1.113 264 S HN 2.667 nan 8.310 nan 0.000 0.547 265 G N 1.706 110.610 108.800 0.172 0.000 2.614 265 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.303 265 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.303 265 G C 1.100 176.048 174.900 0.080 0.000 1.270 265 G CA 0.600 45.845 45.100 0.243 0.000 0.988 265 G HN 1.748 nan 8.290 nan 0.000 0.551 266 A N -0.176 122.558 122.820 -0.143 0.000 2.125 266 A HA 0.296 4.616 4.320 -0.000 0.000 0.219 266 A C 2.730 180.141 177.584 -0.288 0.000 1.156 266 A CA 2.238 54.052 52.037 -0.373 0.000 0.671 266 A CB -0.895 17.571 19.000 -0.890 0.000 0.794 266 A HN 2.088 nan 8.150 nan 0.000 0.459 267 G N -0.562 108.112 108.800 -0.209 0.000 2.403 267 G HA2 0.089 4.049 3.960 -0.000 0.000 0.216 267 G HA3 0.089 4.049 3.960 -0.000 0.000 0.216 267 G C 1.683 176.482 174.900 -0.169 0.000 1.154 267 G CA 1.029 45.981 45.100 -0.246 0.000 0.784 267 G HN 0.703 nan 8.290 nan 0.000 0.538 268 A N 1.170 123.953 122.820 -0.062 0.000 1.940 268 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 268 A C 2.684 180.273 177.584 0.009 0.000 1.176 268 A CA 2.265 54.306 52.037 0.007 0.000 0.631 268 A CB -0.593 18.468 19.000 0.100 0.000 0.814 268 A HN 0.320 nan 8.150 nan 0.000 0.446 269 S N -0.587 115.125 115.700 0.021 0.000 2.370 269 S HA -0.232 4.238 4.470 -0.000 0.000 0.226 269 S C 1.947 176.569 174.600 0.037 0.000 1.033 269 S CA 1.490 59.722 58.200 0.054 0.000 1.011 269 S CB -0.867 62.394 63.200 0.101 0.000 0.852 269 S HN 0.732 nan 8.310 nan 0.000 0.457 270 C N 1.194 120.491 119.300 -0.005 0.000 2.432 270 C HA -0.013 4.447 4.460 -0.000 0.000 0.277 270 C C 2.689 177.632 174.990 -0.079 0.000 1.249 270 C CA 0.330 59.321 59.018 -0.046 0.000 1.725 270 C CB -1.410 26.245 27.740 -0.141 0.000 2.028 270 C HN 0.418 nan 8.230 nan 0.000 0.477 271 V N 1.869 121.716 119.914 -0.111 0.000 2.233 271 V HA -0.303 3.817 4.120 -0.000 0.000 0.252 271 V C 2.367 178.445 176.094 -0.027 0.000 1.063 271 V CA 2.463 64.699 62.300 -0.107 0.000 1.032 271 V CB -0.741 31.035 31.823 -0.080 0.000 0.645 271 V HN 0.572 nan 8.190 nan 0.000 0.446 272 N N -0.561 118.138 118.700 -0.001 0.000 2.453 272 N HA -0.042 4.698 4.740 -0.000 0.000 0.183 272 N C 1.614 177.168 175.510 0.074 0.000 1.041 272 N CA 0.974 54.044 53.050 0.034 0.000 0.900 272 N CB -0.070 38.434 38.487 0.028 0.000 0.961 272 N HN 0.463 nan 8.380 nan 0.000 0.443 273 L N -0.357 120.896 121.223 0.049 0.000 2.127 273 L HA -0.051 4.289 4.340 -0.000 0.000 0.203 273 L C 1.801 178.715 176.870 0.072 0.000 1.080 273 L CA 0.347 55.219 54.840 0.054 0.000 0.768 273 L CB -0.183 41.891 42.059 0.025 0.000 0.924 273 L HN 0.053 nan 8.230 nan 0.000 0.444 274 L N -0.284 120.976 121.223 0.062 0.000 2.265 274 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 274 L C 2.196 179.182 176.870 0.193 0.000 1.117 274 L CA 1.620 56.532 54.840 0.119 0.000 0.782 274 L CB -0.478 41.628 42.059 0.078 0.000 0.914 274 L HN 0.149 nan 8.230 nan 0.000 0.441 275 I N -0.675 120.000 120.570 0.175 0.000 2.163 275 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 275 I C 1.585 177.886 176.117 0.308 0.000 1.081 275 I CA 1.045 62.460 61.300 0.192 0.000 1.353 275 I CB -0.262 37.877 38.000 0.232 0.000 1.054 275 I HN 0.214 nan 8.210 nan 0.000 0.407 276 L N -0.988 120.373 121.223 0.229 0.000 2.645 276 L HA 0.231 4.570 4.340 -0.000 0.000 0.234 276 L C 0.956 177.895 176.870 0.115 0.000 1.165 276 L CA 0.201 55.132 54.840 0.152 0.000 0.944 276 L CB -1.418 40.710 42.059 0.115 0.000 1.149 276 L HN -0.039 nan 8.230 nan 0.000 0.446 277 S N -0.714 115.073 115.700 0.144 0.000 2.564 277 S HA 0.071 4.541 4.470 -0.000 0.000 0.278 277 S C 1.350 176.052 174.600 0.171 0.000 1.333 277 S CA -0.140 58.150 58.200 0.150 0.000 1.048 277 S CB 0.431 63.724 63.200 0.155 0.000 0.900 277 S HN 0.652 nan 8.310 nan 0.000 0.505 278 H N 3.191 122.322 119.070 0.101 0.000 2.422 278 H HA -0.082 4.474 4.556 -0.000 0.000 0.298 278 H C 1.721 177.117 175.328 0.114 0.000 1.098 278 H CA 2.378 58.480 56.048 0.090 0.000 1.315 278 H CB 0.007 29.832 29.762 0.105 0.000 1.382 278 H HN 0.838 nan 8.280 nan 0.000 0.523 279 H N -0.912 118.244 119.070 0.144 0.000 2.482 279 H HA 0.079 4.635 4.556 -0.000 0.000 0.286 279 H C 0.283 175.656 175.328 0.075 0.000 1.017 279 H CA 0.792 56.908 56.048 0.113 0.000 1.322 279 H CB 0.356 30.188 29.762 0.117 0.000 1.426 279 H HN 0.342 nan 8.280 nan 0.000 0.546 280 S N 0.312 116.139 115.700 0.212 0.000 2.520 280 S HA 0.225 4.695 4.470 -0.000 0.000 0.324 280 S C 0.414 175.073 174.600 0.100 0.000 1.069 280 S CA -0.734 57.569 58.200 0.172 0.000 1.121 280 S CB 2.619 65.972 63.200 0.254 0.000 0.971 280 S HN 0.329 nan 8.310 nan 0.000 0.463 281 E N 3.540 123.767 120.200 0.044 0.000 2.175 281 E HA 0.242 4.592 4.350 -0.000 0.000 0.195 281 E C 1.392 177.991 176.600 -0.002 0.000 0.934 281 E CA 0.376 56.776 56.400 0.000 0.000 0.870 281 E CB -0.052 29.616 29.700 -0.053 0.000 0.838 281 E HN 0.811 nan 8.360 nan 0.000 0.474 282 G N -0.069 108.737 108.800 0.011 0.000 3.899 282 G HA2 0.188 4.148 3.960 -0.000 0.000 0.293 282 G HA3 0.188 4.148 3.960 -0.000 0.000 0.293 282 G C 0.561 175.492 174.900 0.051 0.000 1.054 282 G CA -0.175 44.933 45.100 0.014 0.000 0.846 282 G HN 0.044 nan 8.290 nan 0.000 0.525 283 L N -0.104 121.172 121.223 0.088 0.000 2.298 283 L HA 0.433 4.773 4.340 -0.000 0.000 0.209 283 L C 0.543 177.579 176.870 0.276 0.000 1.084 283 L CA 0.812 55.755 54.840 0.172 0.000 0.816 283 L CB -0.184 42.010 42.059 0.224 0.000 0.967 283 L HN 0.405 nan 8.230 nan 0.000 0.460 284 F N -2.925 117.062 119.950 0.060 0.000 2.745 284 F HA 0.485 5.011 4.527 -0.000 0.000 0.316 284 F C 0.206 176.088 175.800 0.135 0.000 1.155 284 F CA -0.880 57.144 58.000 0.040 0.000 0.937 284 F CB 0.721 39.700 39.000 -0.034 0.000 1.361 284 F HN -0.128 nan 8.300 nan 0.000 0.472 285 Q N -0.035 119.866 119.800 0.168 0.000 2.279 285 Q HA 0.320 4.660 4.340 -0.000 0.000 0.261 285 Q C -0.756 175.385 176.000 0.235 0.000 0.796 285 Q CA 0.023 55.934 55.803 0.179 0.000 0.971 285 Q CB 1.039 29.830 28.738 0.088 0.000 1.179 285 Q HN 0.637 nan 8.270 nan 0.000 0.505 286 K N 1.219 121.760 120.400 0.235 0.000 2.318 286 K HA 0.850 5.170 4.320 -0.000 0.000 0.249 286 K C -1.073 175.730 176.600 0.337 0.000 0.942 286 K CA -0.574 55.812 56.287 0.165 0.000 0.808 286 K CB 2.526 34.902 32.500 -0.206 0.000 1.189 286 K HN 0.138 nan 8.250 nan 0.000 0.428 287 A N 2.879 125.930 122.820 0.386 0.000 2.437 287 A HA 0.654 4.973 4.320 -0.000 0.000 0.293 287 A C -1.048 176.656 177.584 0.199 0.000 1.038 287 A CA -0.757 51.437 52.037 0.263 0.000 0.708 287 A CB 0.701 19.840 19.000 0.233 0.000 1.251 287 A HN 0.660 nan 8.150 nan 0.000 0.409 288 I N 1.963 122.605 120.570 0.119 0.000 2.378 288 I HA 0.569 4.739 4.170 -0.000 0.000 0.291 288 I C 0.518 176.664 176.117 0.049 0.000 0.992 288 I CA -0.400 60.888 61.300 -0.020 0.000 1.154 288 I CB 2.179 40.100 38.000 -0.133 0.000 1.315 288 I HN 0.733 nan 8.210 nan 0.000 0.448 289 A N 6.696 129.519 122.820 0.006 0.000 2.786 289 A HA 0.401 4.721 4.320 -0.000 0.000 0.346 289 A C -0.203 177.453 177.584 0.120 0.000 1.265 289 A CA -0.614 51.453 52.037 0.049 0.000 0.858 289 A CB -0.024 18.971 19.000 -0.008 0.000 1.118 289 A HN 0.724 nan 8.150 nan 0.000 0.482 290 Q N 1.148 121.107 119.800 0.264 0.000 2.323 290 Q HA 0.470 4.810 4.340 -0.000 0.000 0.257 290 Q C 0.249 176.418 176.000 0.282 0.000 1.022 290 Q CA 0.232 56.296 55.803 0.434 0.000 0.919 290 Q CB 0.595 29.684 28.738 0.585 0.000 1.220 290 Q HN 0.950 nan 8.270 nan 0.000 0.427 291 S N 1.101 116.912 115.700 0.186 0.000 3.672 291 S HA -0.110 4.360 4.470 -0.000 0.000 0.319 291 S C -0.090 174.742 174.600 0.387 0.000 1.151 291 S CA 0.627 58.919 58.200 0.153 0.000 0.911 291 S CB -1.362 61.841 63.200 0.005 0.000 0.939 291 S HN 1.479 nan 8.310 nan 0.000 0.524 292 G N -1.263 107.753 108.800 0.360 0.000 2.368 292 G HA2 0.561 4.521 3.960 -0.000 0.000 0.293 292 G HA3 0.561 4.521 3.960 -0.000 0.000 0.293 292 G C -0.812 174.202 174.900 0.190 0.000 1.467 292 G CA 0.548 45.900 45.100 0.421 0.000 0.804 292 G HN 1.078 nan 8.290 nan 0.000 0.535 293 T N -2.136 112.492 114.554 0.122 0.000 2.645 293 T HA 0.673 5.022 4.350 -0.000 0.000 0.300 293 T C 0.808 175.532 174.700 0.040 0.000 1.210 293 T CA 0.907 63.039 62.100 0.052 0.000 1.034 293 T CB 1.169 70.049 68.868 0.021 0.000 1.537 293 T HN 1.718 nan 8.240 nan 0.000 0.492 294 A N 0.113 122.953 122.820 0.032 0.000 2.197 294 A HA 0.351 4.671 4.320 -0.000 0.000 0.210 294 A C 1.817 179.412 177.584 0.017 0.000 1.180 294 A CA 0.530 52.590 52.037 0.038 0.000 0.846 294 A CB -0.576 18.459 19.000 0.057 0.000 0.884 294 A HN 0.782 nan 8.150 nan 0.000 0.487 295 I N -1.774 118.790 120.570 -0.011 0.000 3.860 295 I HA 0.175 4.345 4.170 -0.000 0.000 0.319 295 I C 0.891 176.930 176.117 -0.131 0.000 1.279 295 I CA 0.234 61.515 61.300 -0.032 0.000 1.220 295 I CB -0.050 37.939 38.000 -0.018 0.000 1.027 295 I HN 0.161 nan 8.210 nan 0.000 0.428 296 S N 0.595 116.167 115.700 -0.213 0.000 2.593 296 S HA 0.131 4.601 4.470 -0.000 0.000 0.269 296 S C 1.383 175.713 174.600 -0.450 0.000 1.334 296 S CA 0.158 58.088 58.200 -0.449 0.000 1.015 296 S CB 1.660 64.493 63.200 -0.610 0.000 0.912 296 S HN 0.349 nan 8.310 nan 0.000 0.541 297 S N 1.279 116.575 115.700 -0.673 0.000 2.380 297 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 297 S C 1.124 175.559 174.600 -0.274 0.000 1.050 297 S CA 1.997 59.877 58.200 -0.533 0.000 1.100 297 S CB -0.781 61.941 63.200 -0.798 0.000 0.984 297 S HN 0.993 nan 8.310 nan 0.000 0.434 298 W N 1.511 122.674 121.300 -0.228 0.000 3.314 298 W HA 0.660 5.319 4.660 -0.000 0.000 0.419 298 W C 1.062 177.552 176.519 -0.047 0.000 1.021 298 W CA -0.526 56.740 57.345 -0.131 0.000 1.935 298 W CB -1.414 27.957 29.460 -0.147 0.000 1.008 298 W HN 0.063 nan 8.180 nan 0.000 0.803 299 S N 0.135 115.944 115.700 0.182 0.000 2.483 299 S HA 0.165 4.635 4.470 -0.000 0.000 0.221 299 S C 0.283 174.908 174.600 0.041 0.000 1.030 299 S CA 0.371 58.683 58.200 0.185 0.000 0.925 299 S CB 0.528 63.775 63.200 0.078 0.000 0.795 299 S HN 0.162 nan 8.310 nan 0.000 0.511 300 V N 1.968 121.815 119.914 -0.113 0.000 2.817 300 V HA 0.560 4.680 4.120 -0.000 0.000 0.303 300 V C -2.158 173.623 176.094 -0.521 0.000 1.151 300 V CA -1.020 61.056 62.300 -0.374 0.000 0.929 300 V CB 2.058 33.596 31.823 -0.475 0.000 1.030 300 V HN 0.125 nan 8.190 nan 0.000 0.427 301 N N 4.620 123.045 118.700 -0.458 0.000 2.408 301 N HA 0.407 5.147 4.740 -0.000 0.000 0.257 301 N C -0.193 175.105 175.510 -0.354 0.000 1.064 301 N CA 0.010 52.858 53.050 -0.338 0.000 0.952 301 N CB 0.739 39.065 38.487 -0.268 0.000 1.093 301 N HN 0.701 nan 8.380 nan 0.000 0.490 302 Y N 0.523 120.807 120.300 -0.027 0.000 2.478 302 Y HA 0.224 4.774 4.550 -0.000 0.000 0.261 302 Y C 0.429 176.322 175.900 -0.011 0.000 1.127 302 Y CA 0.150 58.237 58.100 -0.022 0.000 1.288 302 Y CB 0.541 38.985 38.460 -0.026 0.000 1.084 302 Y HN 0.400 nan 8.280 nan 0.000 0.530 303 Q N 1.096 120.976 119.800 0.133 0.000 2.721 303 Q HA 0.239 4.579 4.340 -0.000 0.000 0.257 303 Q C -2.225 173.842 176.000 0.112 0.000 1.070 303 Q CA -1.581 54.288 55.803 0.109 0.000 0.910 303 Q CB 1.133 29.938 28.738 0.112 0.000 1.163 303 Q HN 0.260 nan 8.270 nan 0.000 0.501 304 P HA -0.049 nan 4.420 nan 0.000 0.226 304 P C 1.208 178.544 177.300 0.060 0.000 1.161 304 P CA 0.155 63.283 63.100 0.047 0.000 0.804 304 P CB 0.495 32.208 31.700 0.022 0.000 0.829 305 L N -0.283 120.962 121.223 0.037 0.000 2.240 305 L HA 0.044 4.384 4.340 -0.000 0.000 0.211 305 L C 2.278 179.148 176.870 -0.001 0.000 1.106 305 L CA 1.693 56.545 54.840 0.020 0.000 0.793 305 L CB -0.768 41.294 42.059 0.004 0.000 0.927 305 L HN -0.232 nan 8.230 nan 0.000 0.446 306 K N -0.934 119.450 120.400 -0.025 0.000 2.001 306 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 306 K C 2.065 178.547 176.600 -0.197 0.000 1.048 306 K CA 1.834 58.038 56.287 -0.139 0.000 0.932 306 K CB -0.388 31.977 32.500 -0.225 0.000 0.715 306 K HN 0.354 nan 8.250 nan 0.000 0.437 307 Y N 0.340 120.559 120.300 -0.134 0.000 2.516 307 Y HA -0.067 4.483 4.550 -0.000 0.000 0.291 307 Y C 2.439 178.297 175.900 -0.070 0.000 1.131 307 Y CA 1.104 59.078 58.100 -0.209 0.000 1.281 307 Y CB -0.079 38.081 38.460 -0.500 0.000 1.013 307 Y HN 0.095 nan 8.280 nan 0.000 0.554 308 T N -0.436 114.207 114.554 0.149 0.000 3.067 308 T HA -0.037 4.313 4.350 -0.000 0.000 0.261 308 T C 2.024 176.803 174.700 0.133 0.000 1.110 308 T CA 0.635 62.875 62.100 0.233 0.000 1.113 308 T CB 0.014 68.993 68.868 0.185 0.000 0.917 308 T HN 0.205 nan 8.240 nan 0.000 0.499 309 R N 0.513 121.050 120.500 0.063 0.000 2.090 309 R HA 0.089 4.429 4.340 -0.000 0.000 0.228 309 R C 2.175 178.500 176.300 0.041 0.000 1.110 309 R CA 0.691 56.809 56.100 0.029 0.000 0.973 309 R CB -0.799 29.494 30.300 -0.011 0.000 0.869 309 R HN 0.354 nan 8.270 nan 0.000 0.440 310 L N 0.898 122.153 121.223 0.054 0.000 2.012 310 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 310 L C 2.431 179.367 176.870 0.110 0.000 1.073 310 L CA 1.316 56.197 54.840 0.069 0.000 0.748 310 L CB -0.783 41.321 42.059 0.074 0.000 0.891 310 L HN 0.136 nan 8.230 nan 0.000 0.431 311 L N -0.435 120.897 121.223 0.183 0.000 2.046 311 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 311 L C 2.566 179.482 176.870 0.077 0.000 1.077 311 L CA 2.260 57.194 54.840 0.157 0.000 0.747 311 L CB -1.181 41.001 42.059 0.205 0.000 0.896 311 L HN 0.333 nan 8.230 nan 0.000 0.432 312 A N -0.659 122.199 122.820 0.063 0.000 1.930 312 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 312 A C 2.402 179.999 177.584 0.022 0.000 1.175 312 A CA 1.547 53.600 52.037 0.027 0.000 0.627 312 A CB -0.614 18.396 19.000 0.016 0.000 0.815 312 A HN 0.501 nan 8.150 nan 0.000 0.443 313 A N -0.673 122.163 122.820 0.027 0.000 2.014 313 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 313 A C 2.027 179.625 177.584 0.022 0.000 1.163 313 A CA 1.755 53.803 52.037 0.019 0.000 0.652 313 A CB -0.272 18.737 19.000 0.015 0.000 0.808 313 A HN 0.465 nan 8.150 nan 0.000 0.449 314 K N -0.268 120.152 120.400 0.033 0.000 2.393 314 K HA 0.087 4.407 4.320 -0.000 0.000 0.193 314 K C 1.153 177.771 176.600 0.029 0.000 1.026 314 K CA 0.912 57.219 56.287 0.034 0.000 1.064 314 K CB 0.208 32.737 32.500 0.048 0.000 0.833 314 K HN 0.423 nan 8.250 nan 0.000 0.521 315 V N -5.528 114.401 119.914 0.025 0.000 3.604 315 V HA 0.449 4.569 4.120 -0.000 0.000 0.277 315 V C 0.863 176.965 176.094 0.013 0.000 1.399 315 V CA 0.369 62.680 62.300 0.019 0.000 1.034 315 V CB 0.677 32.511 31.823 0.018 0.000 0.824 315 V HN 0.177 nan 8.190 nan 0.000 0.439 316 G N -0.097 108.710 108.800 0.012 0.000 2.163 316 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.213 316 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.213 316 G C 0.332 175.234 174.900 0.004 0.000 0.991 316 G CA 0.089 45.193 45.100 0.007 0.000 0.653 316 G HN 0.642 nan 8.290 nan 0.000 0.518 317 c N 1.095 119.696 118.600 0.002 0.000 2.435 317 c HA 0.381 4.951 4.570 -0.000 0.000 0.326 317 c C 0.919 175.006 174.090 -0.006 0.000 1.328 317 c CA -0.399 55.926 56.329 -0.006 0.000 1.741 317 c CB -0.804 41.697 42.510 -0.016 0.000 1.998 317 c HN 0.463 nan 8.230 nan 0.000 0.585 318 D N 2.799 123.198 120.400 -0.001 0.000 2.994 318 D HA 0.042 4.682 4.640 -0.000 0.000 0.240 318 D C 0.683 176.981 176.300 -0.004 0.000 1.195 318 D CA 0.118 54.117 54.000 -0.001 0.000 0.957 318 D CB 0.057 40.858 40.800 0.002 0.000 1.105 318 D HN 0.522 nan 8.370 nan 0.000 0.477 319 R N 0.553 121.049 120.500 -0.006 0.000 2.474 319 R HA 0.246 4.586 4.340 -0.000 0.000 0.295 319 R C 0.874 177.170 176.300 -0.007 0.000 0.980 319 R CA -0.498 55.598 56.100 -0.006 0.000 0.934 319 R CB 0.380 30.676 30.300 -0.006 0.000 1.101 319 R HN 0.173 nan 8.270 nan 0.000 0.469 320 E N 0.258 120.454 120.200 -0.007 0.000 2.472 320 E HA -0.137 4.213 4.350 -0.000 0.000 0.200 320 E C -0.564 176.033 176.600 -0.006 0.000 1.046 320 E CA 0.457 56.853 56.400 -0.007 0.000 0.871 320 E CB 0.127 29.823 29.700 -0.007 0.000 0.806 320 E HN 0.570 nan 8.360 nan 0.000 0.533 321 D N 0.190 120.586 120.400 -0.006 0.000 2.264 321 D HA 0.112 4.752 4.640 -0.000 0.000 0.250 321 D C 0.296 176.592 176.300 -0.008 0.000 1.113 321 D CA -0.262 53.735 54.000 -0.005 0.000 0.871 321 D CB 1.692 42.490 40.800 -0.004 0.000 1.167 321 D HN -0.110 nan 8.370 nan 0.000 0.447 322 S N 1.559 117.256 115.700 -0.006 0.000 2.357 322 S HA -0.112 4.358 4.470 -0.000 0.000 0.221 322 S C 1.787 176.379 174.600 -0.012 0.000 1.031 322 S CA 1.247 59.442 58.200 -0.008 0.000 0.982 322 S CB -0.119 63.080 63.200 -0.002 0.000 0.853 322 S HN 0.674 nan 8.310 nan 0.000 0.458 323 T N 1.687 116.237 114.554 -0.006 0.000 2.821 323 T HA -0.046 4.303 4.350 -0.000 0.000 0.267 323 T C 1.739 176.434 174.700 -0.009 0.000 1.046 323 T CA 1.035 63.133 62.100 -0.004 0.000 1.139 323 T CB -0.202 68.668 68.868 0.004 0.000 0.871 323 T HN 0.467 nan 8.240 nan 0.000 0.454 324 E N 1.048 121.242 120.200 -0.008 0.000 2.072 324 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 324 E C 2.428 179.018 176.600 -0.016 0.000 0.985 324 E CA 0.932 57.327 56.400 -0.009 0.000 0.801 324 E CB -0.179 29.518 29.700 -0.006 0.000 0.750 324 E HN 0.486 nan 8.360 nan 0.000 0.452 325 A N 0.394 123.200 122.820 -0.024 0.000 1.933 325 A HA -0.119 4.200 4.320 -0.000 0.000 0.218 325 A C 2.353 179.897 177.584 -0.067 0.000 1.175 325 A CA 1.269 53.284 52.037 -0.036 0.000 0.628 325 A CB -0.495 18.485 19.000 -0.034 0.000 0.814 325 A HN 0.212 nan 8.150 nan 0.000 0.444 326 V N -0.223 119.643 119.914 -0.080 0.000 2.307 326 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 326 V C 2.511 178.566 176.094 -0.065 0.000 1.045 326 V CA 2.250 64.469 62.300 -0.135 0.000 1.024 326 V CB -0.684 31.071 31.823 -0.114 0.000 0.651 326 V HN 0.634 nan 8.190 nan 0.000 0.449 327 E N -0.624 119.564 120.200 -0.020 0.000 2.265 327 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 327 E C 2.091 178.698 176.600 0.011 0.000 0.996 327 E CA 1.330 57.736 56.400 0.009 0.000 0.832 327 E CB -0.610 29.095 29.700 0.008 0.000 0.756 327 E HN 0.656 nan 8.360 nan 0.000 0.491 328 c N -0.677 117.920 118.600 -0.005 0.000 2.476 328 c HA -0.006 4.564 4.570 -0.000 0.000 0.278 328 c C 2.380 176.477 174.090 0.011 0.000 1.274 328 c CA 0.569 56.898 56.329 -0.001 0.000 1.713 328 c CB -1.121 41.383 42.510 -0.011 0.000 2.039 328 c HN 0.491 nan 8.230 nan 0.000 0.484 329 L N 0.650 121.871 121.223 -0.003 0.000 2.131 329 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 329 L C 2.879 179.824 176.870 0.126 0.000 1.092 329 L CA 1.462 56.319 54.840 0.029 0.000 0.759 329 L CB -0.685 41.331 42.059 -0.071 0.000 0.903 329 L HN 0.319 nan 8.230 nan 0.000 0.435 330 R N 0.080 120.670 120.500 0.149 0.000 2.285 330 R HA -0.055 4.285 4.340 -0.000 0.000 0.213 330 R C 1.392 177.730 176.300 0.063 0.000 1.068 330 R CA 0.609 56.794 56.100 0.143 0.000 1.004 330 R CB -0.131 30.242 30.300 0.122 0.000 0.873 330 R HN 0.379 nan 8.270 nan 0.000 0.467 331 R N 0.576 121.104 120.500 0.047 0.000 2.480 331 R HA 0.134 4.474 4.340 -0.000 0.000 0.277 331 R C -0.268 176.047 176.300 0.024 0.000 1.008 331 R CA 0.214 56.330 56.100 0.026 0.000 1.090 331 R CB 0.389 30.700 30.300 0.018 0.000 1.234 331 R HN -0.097 nan 8.270 nan 0.000 0.549 332 K N 1.204 121.625 120.400 0.034 0.000 2.371 332 K HA 0.194 4.514 4.320 -0.000 0.000 0.251 332 K C -0.041 176.572 176.600 0.022 0.000 0.934 332 K CA -0.462 55.842 56.287 0.028 0.000 0.798 332 K CB 2.300 34.820 32.500 0.034 0.000 1.204 332 K HN 0.038 nan 8.250 nan 0.000 0.427 333 S N 0.231 115.938 115.700 0.012 0.000 2.566 333 S HA -0.065 4.404 4.470 -0.000 0.000 0.280 333 S C 1.466 176.067 174.600 0.001 0.000 1.343 333 S CA 0.293 58.494 58.200 0.002 0.000 1.036 333 S CB 0.764 63.965 63.200 0.002 0.000 0.866 333 S HN 0.666 nan 8.310 nan 0.000 0.526 334 S N 2.084 117.777 115.700 -0.013 0.000 2.382 334 S HA -0.211 4.259 4.470 -0.000 0.000 0.228 334 S C 1.840 176.436 174.600 -0.007 0.000 1.027 334 S CA 0.983 59.171 58.200 -0.020 0.000 0.991 334 S CB -0.549 62.630 63.200 -0.035 0.000 0.823 334 S HN 0.780 nan 8.310 nan 0.000 0.469 335 R N 1.506 122.005 120.500 -0.001 0.000 2.066 335 R HA 0.068 4.408 4.340 -0.000 0.000 0.232 335 R C 2.482 178.790 176.300 0.014 0.000 1.131 335 R CA 1.861 57.965 56.100 0.008 0.000 0.955 335 R CB -0.630 29.675 30.300 0.009 0.000 0.851 335 R HN 0.705 nan 8.270 nan 0.000 0.432 336 E N -0.398 119.810 120.200 0.013 0.000 2.106 336 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 336 E C 1.504 178.115 176.600 0.019 0.000 0.984 336 E CA 0.883 57.293 56.400 0.018 0.000 0.806 336 E CB 0.028 29.738 29.700 0.017 0.000 0.750 336 E HN 0.214 nan 8.360 nan 0.000 0.458 337 L N 0.266 121.500 121.223 0.017 0.000 2.376 337 L HA -0.050 4.290 4.340 -0.000 0.000 0.219 337 L C 1.982 178.848 176.870 -0.007 0.000 1.133 337 L CA 0.800 55.650 54.840 0.018 0.000 0.816 337 L CB 0.275 42.363 42.059 0.047 0.000 0.933 337 L HN 0.059 nan 8.230 nan 0.000 0.449 338 V N -1.676 118.237 119.914 -0.001 0.000 2.788 338 V HA 0.102 4.222 4.120 -0.000 0.000 0.241 338 V C -0.012 176.094 176.094 0.020 0.000 1.083 338 V CA 0.079 62.376 62.300 -0.005 0.000 1.103 338 V CB 0.085 31.909 31.823 0.002 0.000 0.800 338 V HN 0.251 nan 8.190 nan 0.000 0.476 339 D N 1.646 122.063 120.400 0.029 0.000 2.359 339 D HA 0.214 4.854 4.640 -0.000 0.000 0.250 339 D C 0.509 176.837 176.300 0.047 0.000 1.264 339 D CA 0.325 54.351 54.000 0.043 0.000 0.911 339 D CB 1.379 42.205 40.800 0.044 0.000 1.056 339 D HN 0.425 nan 8.370 nan 0.000 0.499 340 Q N 0.431 120.268 119.800 0.061 0.000 2.427 340 Q HA -0.018 4.322 4.340 -0.000 0.000 0.249 340 Q C -0.324 175.723 176.000 0.079 0.000 0.783 340 Q CA -0.017 55.828 55.803 0.070 0.000 0.978 340 Q CB 0.925 29.715 28.738 0.086 0.000 1.273 340 Q HN 0.464 nan 8.270 nan 0.000 0.524 341 D N 0.643 121.095 120.400 0.088 0.000 2.718 341 D HA -0.127 4.513 4.640 -0.000 0.000 0.242 341 D C -0.732 175.633 176.300 0.108 0.000 1.123 341 D CA 0.532 54.585 54.000 0.088 0.000 0.690 341 D CB -1.014 39.825 40.800 0.066 0.000 1.059 341 D HN 0.116 nan 8.370 nan 0.000 0.429 342 V N -0.254 119.753 119.914 0.155 0.000 2.247 342 V HA 0.435 4.554 4.120 -0.000 0.000 0.262 342 V C 0.718 176.925 176.094 0.187 0.000 1.096 342 V CA -0.736 61.681 62.300 0.196 0.000 0.895 342 V CB 0.934 32.939 31.823 0.304 0.000 1.141 342 V HN 0.195 nan 8.190 nan 0.000 0.478 343 Q N 5.130 125.010 119.800 0.134 0.000 2.373 343 Q HA 0.356 4.696 4.340 -0.000 0.000 0.255 343 Q C -1.756 174.321 176.000 0.129 0.000 0.980 343 Q CA -1.299 54.568 55.803 0.106 0.000 0.882 343 Q CB 1.213 29.997 28.738 0.076 0.000 1.249 343 Q HN 0.594 nan 8.270 nan 0.000 0.438 344 P HA 0.068 nan 4.420 nan 0.000 0.312 344 P C -0.890 176.504 177.300 0.158 0.000 1.307 344 P CA -0.193 62.926 63.100 0.032 0.000 0.738 344 P CB 0.294 31.958 31.700 -0.061 0.000 1.422 345 A N -0.608 122.318 122.820 0.177 0.000 2.260 345 A HA 0.191 4.511 4.320 -0.000 0.000 0.278 345 A C 1.829 179.467 177.584 0.090 0.000 1.269 345 A CA 0.053 52.172 52.037 0.137 0.000 0.824 345 A CB -0.448 18.611 19.000 0.099 0.000 1.238 345 A HN 0.408 nan 8.150 nan 0.000 0.507 346 R N -1.589 118.913 120.500 0.005 0.000 2.096 346 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 346 R C 0.176 176.229 176.300 -0.412 0.000 1.139 346 R CA 2.392 58.318 56.100 -0.292 0.000 0.952 346 R CB -0.506 29.496 30.300 -0.496 0.000 0.854 346 R HN 0.775 nan 8.270 nan 0.000 0.436 347 Y N -1.351 119.103 120.300 0.256 0.000 2.721 347 Y HA 0.357 4.907 4.550 -0.000 0.000 0.251 347 Y C -0.019 175.941 175.900 0.099 0.000 1.136 347 Y CA -0.808 57.444 58.100 0.253 0.000 1.142 347 Y CB 0.344 38.914 38.460 0.184 0.000 1.212 347 Y HN 0.038 nan 8.280 nan 0.000 0.565 348 H N 0.574 119.786 119.070 0.237 0.000 2.810 348 H HA 0.659 5.215 4.556 -0.000 0.000 0.316 348 H C -0.573 174.802 175.328 0.079 0.000 1.426 348 H CA -1.101 55.039 56.048 0.154 0.000 1.413 348 H CB 2.396 32.198 29.762 0.066 0.000 1.874 348 H HN 0.081 nan 8.280 nan 0.000 0.737 349 I N -1.716 118.915 120.570 0.101 0.000 2.530 349 I HA 0.511 4.680 4.170 -0.000 0.000 0.297 349 I C 0.864 176.743 176.117 -0.396 0.000 1.011 349 I CA -0.768 60.492 61.300 -0.068 0.000 1.107 349 I CB 1.838 39.858 38.000 0.034 0.000 1.285 349 I HN 0.578 nan 8.210 nan 0.000 0.436 350 A N 4.504 127.063 122.820 -0.436 0.000 1.835 350 A HA 0.323 4.643 4.320 -0.000 0.000 0.213 350 A C 0.578 177.614 177.584 -0.915 0.000 1.210 350 A CA 1.093 52.620 52.037 -0.850 0.000 0.605 350 A CB -0.446 18.316 19.000 -0.397 0.000 0.860 350 A HN 0.624 nan 8.150 nan 0.000 0.447 351 F N -0.968 118.877 119.950 -0.174 0.000 2.434 351 F HA 0.615 5.142 4.527 -0.000 0.000 0.355 351 F C 0.612 176.294 175.800 -0.197 0.000 1.115 351 F CA -0.006 57.944 58.000 -0.084 0.000 1.010 351 F CB 1.824 40.860 39.000 0.061 0.000 1.234 351 F HN 0.368 nan 8.300 nan 0.000 0.439 352 G N 2.427 111.103 108.800 -0.208 0.000 2.911 352 G HA2 0.662 4.622 3.960 -0.000 0.000 0.299 352 G HA3 0.662 4.622 3.960 -0.000 0.000 0.299 352 G C -3.257 171.378 174.900 -0.442 0.000 1.283 352 G CA -1.737 42.885 45.100 -0.797 0.000 0.805 352 G HN 0.131 nan 8.290 nan 0.000 0.548 353 P HA 0.420 nan 4.420 nan 0.000 0.269 353 P C -0.621 176.541 177.300 -0.229 0.000 1.215 353 P CA -0.230 62.731 63.100 -0.231 0.000 0.780 353 P CB 1.306 32.842 31.700 -0.273 0.000 0.898 354 V N 1.854 121.671 119.914 -0.161 0.000 2.876 354 V HA 0.224 4.343 4.120 -0.000 0.000 0.312 354 V C -0.034 175.976 176.094 -0.138 0.000 1.085 354 V CA -1.015 61.185 62.300 -0.167 0.000 0.945 354 V CB 2.302 34.058 31.823 -0.110 0.000 1.017 354 V HN 0.178 nan 8.190 nan 0.000 0.428 355 V N 3.895 123.736 119.914 -0.122 0.000 2.409 355 V HA 0.103 4.223 4.120 -0.000 0.000 0.270 355 V C 0.780 176.846 176.094 -0.047 0.000 1.019 355 V CA 0.669 62.938 62.300 -0.052 0.000 1.066 355 V CB 0.177 32.011 31.823 0.018 0.000 1.021 355 V HN 1.142 nan 8.190 nan 0.000 0.476 356 D N 2.912 123.277 120.400 -0.059 0.000 2.489 356 D HA 0.143 4.783 4.640 -0.000 0.000 0.231 356 D C 1.377 177.644 176.300 -0.055 0.000 1.114 356 D CA 0.663 54.624 54.000 -0.064 0.000 0.842 356 D CB 0.529 41.269 40.800 -0.101 0.000 1.133 356 D HN 0.747 nan 8.370 nan 0.000 0.506 357 G N 0.976 109.745 108.800 -0.052 0.000 2.143 357 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.248 357 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.248 357 G C 0.366 175.206 174.900 -0.101 0.000 0.991 357 G CA 0.749 45.810 45.100 -0.064 0.000 0.689 357 G HN 0.507 nan 8.290 nan 0.000 0.522 358 D N -1.481 118.870 120.400 -0.082 0.000 3.203 358 D HA 0.172 4.811 4.640 -0.000 0.000 0.249 358 D C 2.276 178.593 176.300 0.029 0.000 1.522 358 D CA 1.055 55.023 54.000 -0.053 0.000 1.248 358 D CB -0.094 40.688 40.800 -0.029 0.000 1.126 358 D HN 0.377 nan 8.370 nan 0.000 0.326 359 V N 0.503 120.367 119.914 -0.082 0.000 2.500 359 V HA 0.200 4.320 4.120 -0.000 0.000 0.243 359 V C 0.314 176.415 176.094 0.012 0.000 1.039 359 V CA 0.868 63.104 62.300 -0.106 0.000 1.053 359 V CB 0.554 32.188 31.823 -0.315 0.000 0.695 359 V HN 0.041 nan 8.190 nan 0.000 0.463 360 V N 2.820 122.716 119.914 -0.029 0.000 2.275 360 V HA 0.346 4.465 4.120 -0.000 0.000 0.272 360 V C -1.600 174.489 176.094 -0.009 0.000 1.028 360 V CA -1.103 61.192 62.300 -0.009 0.000 0.810 360 V CB 0.741 32.541 31.823 -0.039 0.000 1.043 360 V HN 0.374 nan 8.190 nan 0.000 0.453 361 P HA -0.058 nan 4.420 nan 0.000 0.208 361 P C 0.469 177.768 177.300 -0.003 0.000 1.195 361 P CA 1.109 64.206 63.100 -0.005 0.000 0.927 361 P CB 0.422 32.137 31.700 0.024 0.000 0.778 362 D N -1.729 118.677 120.400 0.011 0.000 2.541 362 D HA 0.120 4.760 4.640 -0.000 0.000 0.276 362 D C -0.557 175.769 176.300 0.042 0.000 1.190 362 D CA -0.491 53.521 54.000 0.020 0.000 1.095 362 D CB -0.116 40.693 40.800 0.015 0.000 1.173 362 D HN -0.153 nan 8.370 nan 0.000 0.604 363 D N -0.810 119.629 120.400 0.064 0.000 2.308 363 D HA 0.181 4.821 4.640 -0.000 0.000 0.251 363 D C -1.772 174.577 176.300 0.082 0.000 1.127 363 D CA -1.352 52.717 54.000 0.115 0.000 0.876 363 D CB 1.553 42.435 40.800 0.137 0.000 1.176 363 D HN -0.110 nan 8.370 nan 0.000 0.446 364 P HA -0.265 nan 4.420 nan 0.000 0.222 364 P C 0.762 178.100 177.300 0.064 0.000 1.157 364 P CA 1.646 64.789 63.100 0.071 0.000 0.905 364 P CB 0.143 31.888 31.700 0.075 0.000 0.792 365 E N -1.140 119.098 120.200 0.063 0.000 2.077 365 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 365 E C 2.030 178.653 176.600 0.038 0.000 0.989 365 E CA 1.005 57.432 56.400 0.044 0.000 0.800 365 E CB -0.473 29.241 29.700 0.024 0.000 0.746 365 E HN 0.284 nan 8.360 nan 0.000 0.452 366 I N 0.771 121.360 120.570 0.031 0.000 2.353 366 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 366 I C 2.239 178.366 176.117 0.016 0.000 1.119 366 I CA 0.643 61.957 61.300 0.023 0.000 1.417 366 I CB -0.169 37.841 38.000 0.016 0.000 1.078 366 I HN 0.082 nan 8.210 nan 0.000 0.421 367 L N 0.598 121.830 121.223 0.014 0.000 2.012 367 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 367 L C 2.784 179.635 176.870 -0.032 0.000 1.073 367 L CA 1.771 56.603 54.840 -0.013 0.000 0.748 367 L CB -0.518 41.544 42.059 0.004 0.000 0.891 367 L HN 0.357 nan 8.230 nan 0.000 0.431 368 M N -2.074 117.531 119.600 0.008 0.000 2.334 368 M HA -0.125 4.355 4.480 -0.000 0.000 0.266 368 M C 2.160 178.526 176.300 0.109 0.000 1.082 368 M CA 1.435 56.748 55.300 0.021 0.000 1.141 368 M CB -0.596 32.016 32.600 0.021 0.000 1.380 368 M HN 0.178 nan 8.290 nan 0.000 0.440 369 Q N 0.829 120.679 119.800 0.085 0.000 2.123 369 Q HA -0.159 4.181 4.340 -0.000 0.000 0.199 369 Q C 1.937 178.015 176.000 0.130 0.000 0.966 369 Q CA 1.509 57.373 55.803 0.102 0.000 0.845 369 Q CB 0.146 28.922 28.738 0.064 0.000 0.907 369 Q HN 0.516 nan 8.270 nan 0.000 0.439 370 Q N -0.697 119.151 119.800 0.080 0.000 2.389 370 Q HA 0.138 4.478 4.340 -0.000 0.000 0.204 370 Q C -0.192 175.831 176.000 0.038 0.000 0.944 370 Q CA 0.797 56.640 55.803 0.067 0.000 0.908 370 Q CB 0.716 29.461 28.738 0.011 0.000 1.002 370 Q HN 0.481 nan 8.270 nan 0.000 0.493 371 G N 1.661 110.446 108.800 -0.026 0.000 2.905 371 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.245 371 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.245 371 G C -0.980 173.460 174.900 -0.765 0.000 1.004 371 G CA -0.333 44.573 45.100 -0.323 0.000 1.089 371 G HN 0.149 nan 8.290 nan 0.000 0.456 372 E N 2.311 122.178 120.200 -0.556 0.000 1.774 372 E HA 0.126 4.476 4.350 -0.000 0.000 0.265 372 E C 0.940 177.182 176.600 -0.596 0.000 1.207 372 E CA -0.135 55.893 56.400 -0.619 0.000 1.054 372 E CB -0.616 28.921 29.700 -0.272 0.000 1.074 372 E HN 0.680 nan 8.360 nan 0.000 0.433 373 F N 0.107 119.833 119.950 -0.373 0.000 2.818 373 F HA 0.155 4.681 4.527 -0.000 0.000 0.303 373 F C 0.338 175.968 175.800 -0.285 0.000 1.250 373 F CA -0.802 56.922 58.000 -0.460 0.000 1.409 373 F CB -0.294 38.363 39.000 -0.571 0.000 1.183 373 F HN 0.060 nan 8.300 nan 0.000 0.534 374 L N 2.887 124.023 121.223 -0.146 0.000 2.462 374 L HA 0.122 4.461 4.340 -0.000 0.000 0.283 374 L C -0.178 176.454 176.870 -0.397 0.000 1.166 374 L CA -0.208 54.490 54.840 -0.236 0.000 0.964 374 L CB -0.917 41.015 42.059 -0.213 0.000 1.294 374 L HN 0.258 nan 8.230 nan 0.000 0.449 375 N N 3.776 122.281 118.700 -0.324 0.000 2.442 375 N HA 0.160 4.899 4.740 -0.000 0.000 0.265 375 N C -0.654 174.631 175.510 -0.375 0.000 1.138 375 N CA 0.021 52.952 53.050 -0.199 0.000 0.956 375 N CB 0.594 39.049 38.487 -0.054 0.000 1.067 375 N HN 0.251 nan 8.380 nan 0.000 0.474 376 Y N -0.139 120.210 120.300 0.083 0.000 2.549 376 Y HA 0.257 4.807 4.550 -0.000 0.000 0.339 376 Y C 0.263 176.229 175.900 0.111 0.000 1.053 376 Y CA -1.117 57.013 58.100 0.050 0.000 1.105 376 Y CB 1.067 39.545 38.460 0.031 0.000 1.258 376 Y HN 0.336 nan 8.280 nan 0.000 0.478 377 D N 1.692 122.267 120.400 0.293 0.000 2.389 377 D HA 0.342 4.982 4.640 -0.000 0.000 0.247 377 D C -0.601 176.009 176.300 0.518 0.000 1.128 377 D CA 0.330 54.526 54.000 0.328 0.000 0.884 377 D CB 0.586 41.465 40.800 0.132 0.000 1.194 377 D HN 0.356 nan 8.370 nan 0.000 0.441 378 M N 2.305 122.173 119.600 0.447 0.000 2.572 378 M HA 0.550 5.029 4.480 -0.000 0.000 0.299 378 M C -1.817 174.365 176.300 -0.197 0.000 1.205 378 M CA -0.906 54.485 55.300 0.152 0.000 0.876 378 M CB 2.042 34.637 32.600 -0.009 0.000 1.728 378 M HN 0.284 nan 8.290 nan 0.000 0.458 379 L N 4.680 125.691 121.223 -0.353 0.000 2.528 379 L HA 0.562 4.902 4.340 -0.000 0.000 0.267 379 L C -1.628 175.066 176.870 -0.294 0.000 0.961 379 L CA -0.568 53.975 54.840 -0.494 0.000 0.866 379 L CB 1.549 43.002 42.059 -1.009 0.000 1.248 379 L HN 0.585 nan 8.230 nan 0.000 0.404 380 I N 2.658 123.050 120.570 -0.297 0.000 2.797 380 I HA 0.891 5.061 4.170 -0.000 0.000 0.307 380 I C 0.419 176.081 176.117 -0.758 0.000 1.033 380 I CA -0.574 60.472 61.300 -0.422 0.000 1.071 380 I CB 1.681 39.380 38.000 -0.502 0.000 1.255 380 I HN 0.644 nan 8.210 nan 0.000 0.445 381 G N 2.213 110.496 108.800 -0.861 0.000 2.523 381 G HA2 0.651 4.611 3.960 -0.000 0.000 0.291 381 G HA3 0.651 4.611 3.960 -0.000 0.000 0.291 381 G C -1.518 172.898 174.900 -0.807 0.000 1.450 381 G CA -0.399 43.783 45.100 -1.531 0.000 0.790 381 G HN 0.688 nan 8.290 nan 0.000 0.496 382 V N -2.314 117.221 119.914 -0.631 0.000 3.181 382 V HA 0.834 4.954 4.120 -0.000 0.000 0.308 382 V C -1.060 175.009 176.094 -0.042 0.000 1.214 382 V CA -1.575 60.611 62.300 -0.190 0.000 1.053 382 V CB 1.921 33.728 31.823 -0.026 0.000 1.069 382 V HN 0.649 nan 8.190 nan 0.000 0.441 383 N N 1.067 119.768 118.700 0.002 0.000 2.466 383 N HA 0.374 5.114 4.740 -0.000 0.000 0.294 383 N C 0.698 176.200 175.510 -0.013 0.000 1.129 383 N CA -0.408 52.683 53.050 0.068 0.000 0.931 383 N CB 1.560 40.072 38.487 0.042 0.000 1.193 383 N HN 0.961 nan 8.380 nan 0.000 0.500 384 Q N 1.079 120.754 119.800 -0.209 0.000 2.012 384 Q HA -0.151 4.189 4.340 -0.000 0.000 0.211 384 Q C -0.182 175.775 176.000 -0.071 0.000 1.009 384 Q CA 1.882 57.433 55.803 -0.421 0.000 0.866 384 Q CB -0.279 27.819 28.738 -1.067 0.000 0.945 384 Q HN 0.740 nan 8.270 nan 0.000 0.414 385 G N 0.520 109.277 108.800 -0.072 0.000 3.405 385 G HA2 0.299 4.259 3.960 -0.000 0.000 0.318 385 G HA3 0.299 4.259 3.960 -0.000 0.000 0.318 385 G C -0.187 174.712 174.900 -0.000 0.000 1.597 385 G CA -0.179 44.938 45.100 0.028 0.000 1.022 385 G HN 0.505 nan 8.290 nan 0.000 0.506 386 E N 1.134 121.294 120.200 -0.066 0.000 2.452 386 E HA 0.079 4.429 4.350 -0.000 0.000 0.197 386 E C 1.505 178.018 176.600 -0.144 0.000 1.022 386 E CA 0.131 56.418 56.400 -0.189 0.000 0.890 386 E CB 0.593 30.023 29.700 -0.450 0.000 0.918 386 E HN 0.366 nan 8.360 nan 0.000 0.496 387 G N 1.801 110.684 108.800 0.138 0.000 3.375 387 G HA2 0.054 4.014 3.960 -0.000 0.000 0.247 387 G HA3 0.054 4.014 3.960 -0.000 0.000 0.247 387 G C 0.942 176.081 174.900 0.399 0.000 1.343 387 G CA -0.298 45.139 45.100 0.561 0.000 1.368 387 G HN 0.182 nan 8.290 nan 0.000 0.549 388 L N 0.512 121.886 121.223 0.252 0.000 2.042 388 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 388 L C 2.640 179.653 176.870 0.238 0.000 1.076 388 L CA 1.752 56.724 54.840 0.219 0.000 0.749 388 L CB 0.043 42.172 42.059 0.116 0.000 0.893 388 L HN 0.393 nan 8.230 nan 0.000 0.432 389 K N -1.596 118.934 120.400 0.216 0.000 2.596 389 K HA -0.046 4.274 4.320 -0.000 0.000 0.211 389 K C 1.263 177.965 176.600 0.170 0.000 1.046 389 K CA 0.117 56.508 56.287 0.172 0.000 1.202 389 K CB -0.533 32.043 32.500 0.126 0.000 0.925 389 K HN 0.271 nan 8.250 nan 0.000 0.486 390 F N 1.443 121.401 119.950 0.013 0.000 2.664 390 F HA -0.000 4.527 4.527 -0.000 0.000 0.296 390 F C 0.744 176.513 175.800 -0.051 0.000 1.125 390 F CA -0.025 57.877 58.000 -0.163 0.000 1.444 390 F CB 0.784 39.537 39.000 -0.411 0.000 1.114 390 F HN -0.030 nan 8.300 nan 0.000 0.576 391 V N -2.443 117.476 119.914 0.008 0.000 2.843 391 V HA 0.290 4.410 4.120 -0.000 0.000 0.366 391 V C 0.824 176.945 176.094 0.046 0.000 1.283 391 V CA -0.281 61.996 62.300 -0.038 0.000 1.303 391 V CB -0.125 31.727 31.823 0.049 0.000 1.418 391 V HN 0.209 nan 8.190 nan 0.000 0.598 392 E N 1.829 122.041 120.200 0.020 0.000 2.274 392 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 392 E C 1.675 178.286 176.600 0.018 0.000 0.996 392 E CA 1.284 57.713 56.400 0.049 0.000 0.840 392 E CB 0.198 29.923 29.700 0.041 0.000 0.772 392 E HN 0.934 nan 8.360 nan 0.000 0.491 393 D N -0.060 120.320 120.400 -0.034 0.000 2.144 393 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 393 D C 0.557 176.842 176.300 -0.026 0.000 0.978 393 D CA 0.670 54.647 54.000 -0.038 0.000 0.833 393 D CB 0.057 40.814 40.800 -0.072 0.000 0.961 393 D HN -0.181 nan 8.370 nan 0.000 0.470 394 S N -0.555 115.129 115.700 -0.027 0.000 2.399 394 S HA 0.629 5.098 4.470 -0.000 0.000 0.215 394 S C 0.024 174.621 174.600 -0.006 0.000 1.456 394 S CA -0.228 57.956 58.200 -0.027 0.000 1.199 394 S CB 1.482 64.649 63.200 -0.055 0.000 1.063 394 S HN 0.485 nan 8.310 nan 0.000 0.476 395 A N 2.141 125.006 122.820 0.074 0.000 1.853 395 A HA 0.442 4.762 4.320 -0.000 0.000 0.204 395 A C 1.028 178.753 177.584 0.235 0.000 1.724 395 A CA -0.065 52.114 52.037 0.237 0.000 1.105 395 A CB 0.065 19.294 19.000 0.382 0.000 1.101 395 A HN 0.471 nan 8.150 nan 0.000 0.495 396 E N 0.709 120.999 120.200 0.150 0.000 2.562 396 E HA 0.154 4.504 4.350 -0.000 0.000 0.214 396 E C 0.282 176.918 176.600 0.061 0.000 0.979 396 E CA 0.439 56.912 56.400 0.121 0.000 1.002 396 E CB 0.807 30.571 29.700 0.107 0.000 1.048 396 E HN 0.525 nan 8.360 nan 0.000 0.488 397 S N 0.911 116.632 115.700 0.035 0.000 2.544 397 S HA -0.007 4.463 4.470 -0.000 0.000 0.290 397 S C 1.065 175.663 174.600 -0.004 0.000 1.276 397 S CA -0.239 57.965 58.200 0.006 0.000 1.075 397 S CB 0.889 64.081 63.200 -0.013 0.000 0.849 397 S HN 0.048 nan 8.310 nan 0.000 0.494 398 E N 2.845 123.043 120.200 -0.004 0.000 2.051 398 E HA -0.142 4.207 4.350 -0.000 0.000 0.192 398 E C 0.472 177.057 176.600 -0.026 0.000 0.991 398 E CA 1.493 57.891 56.400 -0.003 0.000 0.799 398 E CB -0.331 29.369 29.700 0.001 0.000 0.748 398 E HN 0.829 nan 8.360 nan 0.000 0.449 399 D N -0.220 120.159 120.400 -0.034 0.000 2.325 399 D HA 0.164 4.804 4.640 -0.000 0.000 0.234 399 D C 1.017 177.274 176.300 -0.071 0.000 1.122 399 D CA 0.697 54.671 54.000 -0.044 0.000 0.850 399 D CB 0.254 41.033 40.800 -0.034 0.000 0.921 399 D HN 0.276 nan 8.370 nan 0.000 0.513 400 G N 0.412 109.151 108.800 -0.101 0.000 2.601 400 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.306 400 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.306 400 G C 0.166 175.003 174.900 -0.105 0.000 1.172 400 G CA 0.553 45.557 45.100 -0.160 0.000 0.966 400 G HN 0.716 nan 8.290 nan 0.000 0.542 401 V N -2.018 117.853 119.914 -0.072 0.000 2.555 401 V HA 0.854 4.974 4.120 -0.000 0.000 0.302 401 V C 0.334 176.434 176.094 0.009 0.000 1.038 401 V CA 0.205 62.500 62.300 -0.008 0.000 0.887 401 V CB 1.493 33.350 31.823 0.058 0.000 0.991 401 V HN 1.206 nan 8.190 nan 0.000 0.434 402 S N 2.862 118.577 115.700 0.024 0.000 2.645 402 S HA 0.607 5.077 4.470 -0.000 0.000 0.266 402 S C 1.565 176.204 174.600 0.065 0.000 1.258 402 S CA 0.024 58.239 58.200 0.023 0.000 0.990 402 S CB 1.504 64.711 63.200 0.012 0.000 0.967 402 S HN 1.417 nan 8.310 nan 0.000 0.556 403 A N 1.534 124.376 122.820 0.038 0.000 1.902 403 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 403 A C 2.248 179.911 177.584 0.133 0.000 1.181 403 A CA 1.985 54.051 52.037 0.049 0.000 0.623 403 A CB -1.119 17.889 19.000 0.014 0.000 0.818 403 A HN 0.653 nan 8.150 nan 0.000 0.443 404 S N -0.020 115.748 115.700 0.114 0.000 2.355 404 S HA -0.016 4.454 4.470 -0.000 0.000 0.222 404 S C 2.335 177.059 174.600 0.208 0.000 1.031 404 S CA 1.168 59.460 58.200 0.154 0.000 0.993 404 S CB -0.540 62.719 63.200 0.098 0.000 0.859 404 S HN 0.808 nan 8.310 nan 0.000 0.453 405 A N 1.068 123.975 122.820 0.145 0.000 1.933 405 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 405 A C 1.887 179.584 177.584 0.189 0.000 1.175 405 A CA 1.405 53.524 52.037 0.137 0.000 0.628 405 A CB -0.925 18.105 19.000 0.051 0.000 0.814 405 A HN 0.484 nan 8.150 nan 0.000 0.444 406 F N 1.392 121.377 119.950 0.058 0.000 2.091 406 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 406 F C 1.774 177.629 175.800 0.093 0.000 1.103 406 F CA 2.346 60.378 58.000 0.053 0.000 1.228 406 F CB -0.076 38.935 39.000 0.019 0.000 0.984 406 F HN 0.272 nan 8.300 nan 0.000 0.477 407 D N -0.446 120.140 120.400 0.310 0.000 2.149 407 D HA -0.181 4.459 4.640 -0.000 0.000 0.201 407 D C 2.042 178.425 176.300 0.140 0.000 0.972 407 D CA 1.112 55.239 54.000 0.212 0.000 0.835 407 D CB -0.751 40.193 40.800 0.240 0.000 0.966 407 D HN 0.350 nan 8.370 nan 0.000 0.476 408 F N 1.266 121.248 119.950 0.053 0.000 2.604 408 F HA -0.108 4.418 4.527 -0.000 0.000 0.298 408 F C 2.180 177.990 175.800 0.017 0.000 1.131 408 F CA 1.091 59.113 58.000 0.037 0.000 1.457 408 F CB 0.197 39.215 39.000 0.029 0.000 1.095 408 F HN -0.030 nan 8.300 nan 0.000 0.574 409 T N -4.942 109.686 114.554 0.123 0.000 3.018 409 T HA 0.037 4.386 4.350 -0.000 0.000 0.246 409 T C 1.778 176.534 174.700 0.093 0.000 1.026 409 T CA 0.805 62.937 62.100 0.053 0.000 1.081 409 T CB -0.456 68.370 68.868 -0.070 0.000 0.970 409 T HN 0.034 nan 8.240 nan 0.000 0.475 410 V N 1.369 121.264 119.914 -0.031 0.000 2.788 410 V HA 0.025 4.145 4.120 -0.000 0.000 0.251 410 V C 2.734 178.909 176.094 0.135 0.000 1.068 410 V CA 1.849 64.132 62.300 -0.028 0.000 1.090 410 V CB -0.025 31.604 31.823 -0.323 0.000 0.710 410 V HN 0.597 nan 8.190 nan 0.000 0.467 411 S N -0.015 115.734 115.700 0.082 0.000 2.395 411 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 411 S C 1.776 176.435 174.600 0.098 0.000 1.027 411 S CA 1.390 59.638 58.200 0.080 0.000 0.965 411 S CB -0.466 62.730 63.200 -0.007 0.000 0.812 411 S HN 0.725 nan 8.310 nan 0.000 0.482 412 N N -0.130 118.613 118.700 0.073 0.000 2.443 412 N HA -0.078 4.662 4.740 -0.000 0.000 0.184 412 N C 1.342 177.019 175.510 0.279 0.000 1.037 412 N CA 0.910 54.027 53.050 0.113 0.000 0.896 412 N CB -0.172 38.361 38.487 0.076 0.000 0.959 412 N HN 0.499 nan 8.380 nan 0.000 0.442 413 F N 1.610 121.681 119.950 0.202 0.000 2.094 413 F HA -0.095 4.432 4.527 -0.000 0.000 0.291 413 F C 2.235 178.179 175.800 0.240 0.000 1.109 413 F CA 0.823 58.985 58.000 0.270 0.000 1.221 413 F CB -0.447 38.663 39.000 0.183 0.000 1.014 413 F HN -0.280 nan 8.300 nan 0.000 0.473 414 V N 0.726 120.868 119.914 0.379 0.000 2.255 414 V HA -0.351 3.769 4.120 -0.000 0.000 0.247 414 V C 1.412 177.630 176.094 0.206 0.000 1.051 414 V CA 2.457 64.935 62.300 0.298 0.000 1.018 414 V CB -0.807 31.180 31.823 0.273 0.000 0.641 414 V HN 0.257 nan 8.190 nan 0.000 0.445 415 D N -0.390 120.104 120.400 0.157 0.000 2.379 415 D HA -0.054 4.586 4.640 -0.000 0.000 0.243 415 D C 1.580 177.932 176.300 0.086 0.000 1.088 415 D CA 0.351 54.418 54.000 0.111 0.000 0.925 415 D CB -0.084 40.758 40.800 0.069 0.000 0.888 415 D HN 0.391 nan 8.370 nan 0.000 0.529 416 N N -0.988 117.769 118.700 0.094 0.000 2.724 416 N HA 0.162 4.901 4.740 -0.000 0.000 0.226 416 N C 1.407 176.979 175.510 0.103 0.000 1.030 416 N CA 0.209 53.317 53.050 0.096 0.000 1.038 416 N CB 0.069 38.661 38.487 0.175 0.000 1.475 416 N HN 0.104 nan 8.380 nan 0.000 0.472 417 L N -0.328 120.888 121.223 -0.011 0.000 2.446 417 L HA 0.123 4.463 4.340 -0.000 0.000 0.219 417 L C 0.988 177.737 176.870 -0.203 0.000 1.116 417 L CA 0.650 55.419 54.840 -0.119 0.000 0.844 417 L CB 0.015 41.845 42.059 -0.383 0.000 0.970 417 L HN 0.156 nan 8.230 nan 0.000 0.457 418 Y N -0.826 119.503 120.300 0.048 0.000 3.057 418 Y HA 0.394 4.944 4.550 -0.000 0.000 0.148 418 Y C 1.720 177.730 175.900 0.183 0.000 0.877 418 Y CA 0.212 58.438 58.100 0.211 0.000 1.833 418 Y CB -0.642 37.999 38.460 0.301 0.000 1.278 418 Y HN -0.117 nan 8.280 nan 0.000 0.357 419 G N 0.508 109.538 108.800 0.384 0.000 2.323 419 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.292 419 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.292 419 G C -0.650 174.363 174.900 0.188 0.000 1.040 419 G CA -0.030 45.202 45.100 0.220 0.000 0.942 419 G HN 0.305 nan 8.290 nan 0.000 0.506 420 Y N -0.138 120.266 120.300 0.173 0.000 2.511 420 Y HA 0.229 4.779 4.550 -0.000 0.000 0.332 420 Y C 0.073 176.032 175.900 0.097 0.000 1.177 420 Y CA -1.046 57.141 58.100 0.145 0.000 1.422 420 Y CB 0.926 39.530 38.460 0.239 0.000 1.271 420 Y HN 0.113 nan 8.280 nan 0.000 0.550 421 P HA -0.201 nan 4.420 nan 0.000 0.223 421 P C -0.155 177.231 177.300 0.144 0.000 1.144 421 P CA 1.400 64.566 63.100 0.111 0.000 0.783 421 P CB 0.370 32.104 31.700 0.056 0.000 0.771 422 E N -0.818 119.519 120.200 0.228 0.000 3.132 422 E HA 0.428 4.778 4.350 -0.000 0.000 0.241 422 E C 0.119 176.833 176.600 0.190 0.000 1.196 422 E CA -0.317 56.189 56.400 0.176 0.000 0.869 422 E CB 0.202 29.992 29.700 0.149 0.000 1.387 422 E HN 0.072 nan 8.360 nan 0.000 0.393 423 G N 3.220 112.117 108.800 0.161 0.000 4.286 423 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.204 423 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.204 423 G C 1.091 176.032 174.900 0.067 0.000 1.218 423 G CA 0.096 45.250 45.100 0.090 0.000 1.010 423 G HN 0.252 nan 8.290 nan 0.000 0.384 424 K N 1.485 121.966 120.400 0.136 0.000 2.442 424 K HA -0.025 4.295 4.320 -0.000 0.000 0.198 424 K C 1.175 177.817 176.600 0.071 0.000 1.044 424 K CA 1.739 58.092 56.287 0.109 0.000 0.948 424 K CB -0.101 32.480 32.500 0.136 0.000 0.762 424 K HN 0.265 nan 8.250 nan 0.000 0.472 425 D N 0.596 121.030 120.400 0.057 0.000 2.178 425 D HA -0.097 4.542 4.640 -0.000 0.000 0.201 425 D C 1.576 177.891 176.300 0.025 0.000 0.980 425 D CA 1.116 55.140 54.000 0.040 0.000 0.842 425 D CB 0.422 41.242 40.800 0.034 0.000 0.948 425 D HN 0.124 nan 8.370 nan 0.000 0.472 426 V N -0.194 119.724 119.914 0.007 0.000 3.090 426 V HA 0.052 4.172 4.120 -0.000 0.000 0.237 426 V C 1.996 178.088 176.094 -0.003 0.000 1.209 426 V CA -0.029 62.266 62.300 -0.008 0.000 1.209 426 V CB 0.105 31.905 31.823 -0.038 0.000 0.971 426 V HN 0.230 nan 8.190 nan 0.000 0.477 427 L N 0.774 121.982 121.223 -0.025 0.000 2.079 427 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 427 L C 2.667 179.565 176.870 0.048 0.000 1.081 427 L CA 2.008 56.828 54.840 -0.034 0.000 0.752 427 L CB -0.716 41.278 42.059 -0.109 0.000 0.896 427 L HN 0.323 nan 8.230 nan 0.000 0.433 428 R N -0.294 120.250 120.500 0.074 0.000 2.083 428 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 428 R C 2.031 178.406 176.300 0.124 0.000 1.137 428 R CA 1.391 57.558 56.100 0.111 0.000 0.951 428 R CB -0.197 30.165 30.300 0.104 0.000 0.851 428 R HN 0.441 nan 8.270 nan 0.000 0.434 429 E N -0.200 120.065 120.200 0.108 0.000 2.107 429 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 429 E C 1.997 178.689 176.600 0.154 0.000 0.982 429 E CA 1.335 57.813 56.400 0.129 0.000 0.809 429 E CB -0.198 29.559 29.700 0.095 0.000 0.756 429 E HN 0.336 nan 8.360 nan 0.000 0.459 430 T N 2.177 116.803 114.554 0.120 0.000 2.746 430 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 430 T C 2.179 176.953 174.700 0.123 0.000 1.039 430 T CA 1.524 63.697 62.100 0.121 0.000 1.142 430 T CB -0.388 68.573 68.868 0.154 0.000 0.866 430 T HN 0.391 nan 8.240 nan 0.000 0.444 431 I N -0.419 120.242 120.570 0.151 0.000 2.546 431 I HA 0.003 4.173 4.170 -0.000 0.000 0.255 431 I C 2.167 178.384 176.117 0.166 0.000 1.163 431 I CA 1.224 62.575 61.300 0.083 0.000 1.457 431 I CB -0.334 37.761 38.000 0.159 0.000 1.092 431 I HN 0.045 nan 8.210 nan 0.000 0.434 432 K N 0.900 121.439 120.400 0.231 0.000 2.026 432 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 432 K C 2.049 178.839 176.600 0.315 0.000 1.048 432 K CA 2.127 58.632 56.287 0.363 0.000 0.929 432 K CB -0.478 32.235 32.500 0.354 0.000 0.713 432 K HN 0.344 nan 8.250 nan 0.000 0.439 433 F N 1.727 121.770 119.950 0.153 0.000 2.026 433 F HA -0.271 4.256 4.527 -0.000 0.000 0.296 433 F C 2.245 178.121 175.800 0.126 0.000 1.133 433 F CA 1.497 59.628 58.000 0.218 0.000 1.188 433 F CB -0.132 38.976 39.000 0.179 0.000 0.968 433 F HN -0.080 nan 8.300 nan 0.000 0.476 434 M N -0.815 118.908 119.600 0.204 0.000 2.255 434 M HA -0.239 4.241 4.480 -0.000 0.000 0.259 434 M C 0.203 176.321 176.300 -0.304 0.000 1.071 434 M CA 1.552 56.762 55.300 -0.149 0.000 1.074 434 M CB -1.468 30.720 32.600 -0.686 0.000 1.384 434 M HN 0.219 nan 8.290 nan 0.000 0.415 435 Y N -0.619 119.587 120.300 -0.158 0.000 2.726 435 Y HA 0.385 4.935 4.550 -0.000 0.000 0.367 435 Y C 0.101 175.891 175.900 -0.184 0.000 1.038 435 Y CA -0.526 57.515 58.100 -0.100 0.000 1.174 435 Y CB 0.774 39.259 38.460 0.042 0.000 1.265 435 Y HN -0.079 nan 8.280 nan 0.000 0.622 436 T N 0.593 114.870 114.554 -0.461 0.000 3.767 436 T HA 0.226 4.576 4.350 -0.000 0.000 0.360 436 T C -1.762 172.208 174.700 -1.218 0.000 1.181 436 T CA -0.774 60.861 62.100 -0.776 0.000 1.110 436 T CB 0.462 68.787 68.868 -0.904 0.000 1.201 436 T HN 0.189 nan 8.240 nan 0.000 0.474 437 D N 3.951 123.901 120.400 -0.751 0.000 2.313 437 D HA 0.263 4.903 4.640 -0.000 0.000 0.239 437 D C 0.690 176.712 176.300 -0.464 0.000 1.142 437 D CA -0.334 53.355 54.000 -0.518 0.000 0.847 437 D CB 0.596 41.252 40.800 -0.240 0.000 1.082 437 D HN 0.545 nan 8.370 nan 0.000 0.480 438 W N 2.092 123.292 121.300 -0.165 0.000 3.391 438 W HA 0.163 4.823 4.660 -0.000 0.000 0.275 438 W C 1.040 177.504 176.519 -0.093 0.000 1.318 438 W CA -0.304 56.960 57.345 -0.136 0.000 1.665 438 W CB -0.286 29.089 29.460 -0.141 0.000 1.078 438 W HN 0.497 nan 8.180 nan 0.000 0.732 439 A N -0.142 122.707 122.820 0.048 0.000 2.014 439 A HA -0.014 4.306 4.320 -0.000 0.000 0.210 439 A C 1.170 178.743 177.584 -0.018 0.000 1.188 439 A CA 0.816 52.866 52.037 0.022 0.000 0.731 439 A CB -0.106 18.900 19.000 0.011 0.000 0.858 439 A HN -0.028 nan 8.150 nan 0.000 0.464 440 D N -0.674 119.686 120.400 -0.066 0.000 2.643 440 D HA 0.108 4.748 4.640 -0.000 0.000 0.244 440 D C 1.318 177.542 176.300 -0.126 0.000 1.257 440 D CA -0.232 53.718 54.000 -0.083 0.000 0.831 440 D CB 0.071 40.818 40.800 -0.089 0.000 1.043 440 D HN 0.395 nan 8.370 nan 0.000 0.488 441 R N 1.505 121.935 120.500 -0.116 0.000 2.196 441 R HA -0.270 4.070 4.340 -0.000 0.000 0.259 441 R C 1.063 177.262 176.300 -0.169 0.000 1.154 441 R CA 2.573 58.577 56.100 -0.159 0.000 0.976 441 R CB 0.144 30.440 30.300 -0.007 0.000 0.888 441 R HN 0.233 nan 8.270 nan 0.000 0.453 442 D N -0.887 119.447 120.400 -0.109 0.000 2.255 442 D HA -0.071 4.569 4.640 -0.000 0.000 0.224 442 D C 0.212 176.444 176.300 -0.113 0.000 0.997 442 D CA 0.258 54.199 54.000 -0.098 0.000 0.906 442 D CB -0.909 39.858 40.800 -0.055 0.000 1.047 442 D HN 0.040 nan 8.370 nan 0.000 0.458 443 N N -0.036 118.609 118.700 -0.091 0.000 2.468 443 N HA 0.362 5.101 4.740 -0.000 0.000 0.265 443 N C 0.824 176.273 175.510 -0.103 0.000 1.199 443 N CA 0.413 53.413 53.050 -0.083 0.000 0.928 443 N CB 1.117 39.567 38.487 -0.062 0.000 1.059 443 N HN 0.341 nan 8.380 nan 0.000 0.467 444 G N 1.621 110.364 108.800 -0.094 0.000 3.262 444 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.222 444 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.222 444 G C 1.128 175.968 174.900 -0.099 0.000 1.269 444 G CA -0.033 45.012 45.100 -0.091 0.000 1.032 444 G HN 0.587 nan 8.290 nan 0.000 0.502 445 E N 0.396 120.535 120.200 -0.101 0.000 2.028 445 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 445 E C 2.220 178.763 176.600 -0.095 0.000 0.988 445 E CA 1.129 57.463 56.400 -0.110 0.000 0.799 445 E CB -0.024 29.630 29.700 -0.076 0.000 0.755 445 E HN 0.382 nan 8.360 nan 0.000 0.447 446 M N -0.525 119.029 119.600 -0.076 0.000 2.509 446 M HA 0.185 4.664 4.480 -0.000 0.000 0.250 446 M C 1.753 178.024 176.300 -0.048 0.000 1.132 446 M CA 0.477 55.745 55.300 -0.055 0.000 1.080 446 M CB 0.336 32.897 32.600 -0.065 0.000 1.408 446 M HN -0.056 nan 8.290 nan 0.000 0.484 447 R N -0.328 120.132 120.500 -0.067 0.000 2.073 447 R HA 0.001 4.341 4.340 -0.000 0.000 0.229 447 R C 2.272 178.652 176.300 0.133 0.000 1.120 447 R CA 1.073 57.171 56.100 -0.003 0.000 0.967 447 R CB -0.169 30.069 30.300 -0.103 0.000 0.862 447 R HN 0.325 nan 8.270 nan 0.000 0.436 448 R N 1.275 121.795 120.500 0.033 0.000 2.081 448 R HA -0.180 4.159 4.340 -0.000 0.000 0.235 448 R C 2.154 178.470 176.300 0.027 0.000 1.131 448 R CA 1.827 57.923 56.100 -0.007 0.000 0.960 448 R CB -0.049 30.141 30.300 -0.182 0.000 0.856 448 R HN -0.113 nan 8.270 nan 0.000 0.436 449 K N 0.287 120.696 120.400 0.016 0.000 2.074 449 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 449 K C 1.828 178.517 176.600 0.149 0.000 1.048 449 K CA 2.500 58.839 56.287 0.087 0.000 0.926 449 K CB -0.514 32.028 32.500 0.068 0.000 0.713 449 K HN 0.389 nan 8.250 nan 0.000 0.444 450 T N -1.238 113.413 114.554 0.161 0.000 2.896 450 T HA -0.003 4.347 4.350 -0.000 0.000 0.263 450 T C 2.038 176.897 174.700 0.265 0.000 1.050 450 T CA 0.920 63.177 62.100 0.261 0.000 1.140 450 T CB -0.434 68.595 68.868 0.269 0.000 0.877 450 T HN 0.166 nan 8.240 nan 0.000 0.457 451 L N 0.464 121.813 121.223 0.210 0.000 2.012 451 L HA -0.009 4.331 4.340 -0.000 0.000 0.210 451 L C 2.688 179.677 176.870 0.197 0.000 1.073 451 L CA 1.500 56.418 54.840 0.130 0.000 0.748 451 L CB -0.505 41.628 42.059 0.123 0.000 0.891 451 L HN 0.279 nan 8.230 nan 0.000 0.431 452 L N -0.678 120.689 121.223 0.240 0.000 2.083 452 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 452 L C 2.502 179.531 176.870 0.264 0.000 1.083 452 L CA 1.608 56.623 54.840 0.290 0.000 0.752 452 L CB -0.246 41.979 42.059 0.277 0.000 0.899 452 L HN 0.212 nan 8.230 nan 0.000 0.433 453 A N -0.657 122.311 122.820 0.245 0.000 2.067 453 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 453 A C 2.202 179.962 177.584 0.294 0.000 1.156 453 A CA 1.091 53.296 52.037 0.281 0.000 0.683 453 A CB -0.610 18.568 19.000 0.296 0.000 0.808 453 A HN 0.533 nan 8.150 nan 0.000 0.455 454 L N -1.844 119.438 121.223 0.098 0.000 1.994 454 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 454 L C 2.352 179.116 176.870 -0.176 0.000 1.071 454 L CA 1.912 56.548 54.840 -0.340 0.000 0.745 454 L CB -0.342 41.222 42.059 -0.824 0.000 0.892 454 L HN 0.422 nan 8.230 nan 0.000 0.431 455 F N 0.366 120.101 119.950 -0.358 0.000 2.171 455 F HA -0.242 4.285 4.527 -0.000 0.000 0.300 455 F C 2.434 178.284 175.800 0.084 0.000 1.090 455 F CA 2.047 59.848 58.000 -0.332 0.000 1.293 455 F CB -0.544 38.107 39.000 -0.583 0.000 1.013 455 F HN 0.081 nan 8.300 nan 0.000 0.486 456 T N -0.350 114.406 114.554 0.335 0.000 2.652 456 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 456 T C 1.532 176.430 174.700 0.329 0.000 1.039 456 T CA 1.747 64.098 62.100 0.418 0.000 1.153 456 T CB -0.436 68.610 68.868 0.297 0.000 0.863 456 T HN 0.190 nan 8.240 nan 0.000 0.428 457 D N -0.141 120.412 120.400 0.254 0.000 2.117 457 D HA -0.079 4.561 4.640 -0.000 0.000 0.197 457 D C 1.956 178.231 176.300 -0.041 0.000 0.987 457 D CA 1.203 55.350 54.000 0.246 0.000 0.829 457 D CB -0.420 40.672 40.800 0.487 0.000 0.961 457 D HN 0.514 nan 8.370 nan 0.000 0.460 458 H N 0.214 119.035 119.070 -0.415 0.000 2.363 458 H HA 0.054 4.610 4.556 -0.000 0.000 0.301 458 H C 1.611 176.506 175.328 -0.722 0.000 1.074 458 H CA 1.408 56.943 56.048 -0.855 0.000 1.354 458 H CB 0.306 29.489 29.762 -0.965 0.000 1.397 458 H HN -0.070 nan 8.280 nan 0.000 0.516 459 Q N -1.560 117.735 119.800 -0.841 0.000 2.384 459 Q HA 0.004 4.344 4.340 -0.000 0.000 0.207 459 Q C 1.027 176.408 176.000 -1.032 0.000 0.904 459 Q CA 0.242 55.281 55.803 -1.275 0.000 0.933 459 Q CB 0.826 28.365 28.738 -1.999 0.000 1.077 459 Q HN 0.629 nan 8.270 nan 0.000 0.522 460 W N -1.124 119.998 121.300 -0.297 0.000 4.654 460 W HA 0.087 4.747 4.660 -0.000 0.000 0.196 460 W C 1.778 178.273 176.519 -0.040 0.000 0.957 460 W CA 0.012 57.295 57.345 -0.103 0.000 2.022 460 W CB -0.227 29.247 29.460 0.023 0.000 0.791 460 W HN -0.201 nan 8.180 nan 0.000 0.953 461 V N 1.722 121.804 119.914 0.280 0.000 2.223 461 V HA -0.269 3.851 4.120 -0.000 0.000 0.244 461 V C 2.514 178.734 176.094 0.210 0.000 1.045 461 V CA 3.007 65.477 62.300 0.284 0.000 1.000 461 V CB -1.636 30.409 31.823 0.370 0.000 0.635 461 V HN 0.116 nan 8.190 nan 0.000 0.445 462 A N 0.607 123.503 122.820 0.127 0.000 1.908 462 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 462 A C 0.618 178.226 177.584 0.041 0.000 1.181 462 A CA 2.230 54.331 52.037 0.106 0.000 0.627 462 A CB -1.991 17.051 19.000 0.070 0.000 0.818 462 A HN 0.559 nan 8.150 nan 0.000 0.445 463 P HA -0.129 nan 4.420 nan 0.000 0.215 463 P C 1.741 179.057 177.300 0.025 0.000 1.153 463 P CA 1.949 65.008 63.100 -0.068 0.000 0.853 463 P CB -0.117 31.468 31.700 -0.191 0.000 0.788 464 A N -0.589 122.280 122.820 0.082 0.000 1.877 464 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 464 A C 2.426 180.114 177.584 0.174 0.000 1.186 464 A CA 1.884 53.989 52.037 0.114 0.000 0.620 464 A CB -1.720 17.363 19.000 0.138 0.000 0.822 464 A HN 0.140 nan 8.150 nan 0.000 0.443 465 V N -0.091 119.963 119.914 0.233 0.000 2.343 465 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 465 V C 2.744 178.927 176.094 0.149 0.000 1.051 465 V CA 2.368 64.791 62.300 0.205 0.000 1.036 465 V CB -0.759 31.195 31.823 0.219 0.000 0.654 465 V HN 0.591 nan 8.190 nan 0.000 0.451 466 A N -0.752 122.148 122.820 0.133 0.000 2.019 466 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 466 A C 2.260 179.911 177.584 0.112 0.000 1.164 466 A CA 2.348 54.456 52.037 0.117 0.000 0.644 466 A CB -0.829 18.225 19.000 0.090 0.000 0.805 466 A HN 0.624 nan 8.150 nan 0.000 0.449 467 T N -0.198 114.415 114.554 0.097 0.000 2.937 467 T HA 0.173 4.523 4.350 -0.000 0.000 0.260 467 T C 2.216 176.987 174.700 0.119 0.000 1.051 467 T CA 1.040 63.219 62.100 0.132 0.000 1.141 467 T CB -0.327 68.587 68.868 0.078 0.000 0.879 467 T HN 0.527 nan 8.240 nan 0.000 0.459 468 A N 1.713 124.509 122.820 -0.040 0.000 1.930 468 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 468 A C 2.264 179.795 177.584 -0.087 0.000 1.175 468 A CA 1.618 53.485 52.037 -0.283 0.000 0.627 468 A CB -0.458 18.032 19.000 -0.850 0.000 0.815 468 A HN 0.426 nan 8.150 nan 0.000 0.443 469 K N -0.401 120.068 120.400 0.115 0.000 2.001 469 K HA 0.052 4.372 4.320 -0.000 0.000 0.208 469 K C 1.779 178.482 176.600 0.172 0.000 1.048 469 K CA 1.206 57.674 56.287 0.301 0.000 0.932 469 K CB -0.275 32.386 32.500 0.269 0.000 0.715 469 K HN 0.438 nan 8.250 nan 0.000 0.437 470 L N -0.144 121.154 121.223 0.126 0.000 2.275 470 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 470 L C 1.997 178.886 176.870 0.033 0.000 1.119 470 L CA 0.933 55.798 54.840 0.042 0.000 0.790 470 L CB -0.319 41.779 42.059 0.064 0.000 0.919 470 L HN 0.327 nan 8.230 nan 0.000 0.443 471 H N -0.649 118.488 119.070 0.111 0.000 2.317 471 H HA 0.030 4.586 4.556 -0.000 0.000 0.304 471 H C 2.238 177.661 175.328 0.158 0.000 1.067 471 H CA 1.293 57.449 56.048 0.181 0.000 1.352 471 H CB 0.082 29.925 29.762 0.136 0.000 1.398 471 H HN 0.251 nan 8.280 nan 0.000 0.510 472 A N 0.397 123.368 122.820 0.251 0.000 2.172 472 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 472 A C 1.552 179.188 177.584 0.086 0.000 1.154 472 A CA 1.350 53.505 52.037 0.196 0.000 0.701 472 A CB -0.187 18.987 19.000 0.290 0.000 0.789 472 A HN 0.351 nan 8.150 nan 0.000 0.465 473 D N -0.944 119.436 120.400 -0.033 0.000 2.182 473 D HA -0.071 4.569 4.640 -0.000 0.000 0.201 473 D C 0.104 176.201 176.300 -0.338 0.000 0.986 473 D CA 1.026 54.879 54.000 -0.245 0.000 0.847 473 D CB -0.089 40.440 40.800 -0.452 0.000 0.942 473 D HN 0.605 nan 8.370 nan 0.000 0.467 474 Y N 0.369 120.714 120.300 0.074 0.000 2.403 474 Y HA 0.257 4.807 4.550 -0.000 0.000 0.323 474 Y C 0.931 176.865 175.900 0.057 0.000 1.226 474 Y CA -1.132 57.003 58.100 0.058 0.000 1.235 474 Y CB 0.580 39.085 38.460 0.074 0.000 1.248 474 Y HN -0.303 nan 8.280 nan 0.000 0.489 475 Q N 2.594 122.510 119.800 0.194 0.000 2.320 475 Q HA 0.101 4.441 4.340 -0.000 0.000 0.262 475 Q C -0.715 175.357 176.000 0.119 0.000 1.225 475 Q CA 0.200 56.070 55.803 0.112 0.000 0.916 475 Q CB -0.168 28.608 28.738 0.063 0.000 1.417 475 Q HN 0.718 nan 8.270 nan 0.000 0.462 476 S N 1.529 117.305 115.700 0.127 0.000 2.543 476 S HA 0.613 5.083 4.470 -0.000 0.000 0.273 476 S C -3.035 171.625 174.600 0.101 0.000 1.152 476 S CA -1.559 56.720 58.200 0.131 0.000 0.910 476 S CB 2.113 65.436 63.200 0.206 0.000 1.105 476 S HN 0.139 nan 8.310 nan 0.000 0.465 477 P HA 0.539 nan 4.420 nan 0.000 0.282 477 P C -1.151 176.130 177.300 -0.031 0.000 1.262 477 P CA -0.498 62.605 63.100 0.004 0.000 0.773 477 P CB 0.981 32.745 31.700 0.106 0.000 0.879 478 V N 4.757 124.527 119.914 -0.239 0.000 2.686 478 V HA 0.422 4.542 4.120 -0.000 0.000 0.306 478 V C -0.931 174.922 176.094 -0.401 0.000 1.065 478 V CA -0.574 61.616 62.300 -0.183 0.000 0.894 478 V CB 1.397 33.217 31.823 -0.005 0.000 1.004 478 V HN 0.392 nan 8.190 nan 0.000 0.424 479 Y N 3.371 123.632 120.300 -0.065 0.000 2.446 479 Y HA 0.694 5.244 4.550 -0.000 0.000 0.345 479 Y C -0.714 175.334 175.900 0.246 0.000 0.984 479 Y CA -0.817 57.262 58.100 -0.034 0.000 1.058 479 Y CB 2.288 40.298 38.460 -0.750 0.000 1.220 479 Y HN 0.596 nan 8.280 nan 0.000 0.455 480 F N 4.235 124.643 119.950 0.764 0.000 2.449 480 F HA 0.439 4.966 4.527 -0.000 0.000 0.342 480 F C -0.894 175.329 175.800 0.704 0.000 1.127 480 F CA -1.301 57.049 58.000 0.584 0.000 0.975 480 F CB 0.665 39.984 39.000 0.531 0.000 1.146 480 F HN 0.456 nan 8.300 nan 0.000 0.444 481 Y N 2.241 122.761 120.300 0.367 0.000 2.567 481 Y HA 0.870 5.419 4.550 -0.000 0.000 0.333 481 Y C -1.285 174.761 175.900 0.243 0.000 1.106 481 Y CA -1.269 57.021 58.100 0.317 0.000 1.157 481 Y CB 1.666 40.384 38.460 0.431 0.000 1.277 481 Y HN 0.458 nan 8.280 nan 0.000 0.490 482 T N 3.720 118.513 114.554 0.399 0.000 3.143 482 T HA 0.278 4.628 4.350 -0.000 0.000 0.312 482 T C -1.741 173.225 174.700 0.442 0.000 0.986 482 T CA -0.396 61.834 62.100 0.217 0.000 1.024 482 T CB 0.385 69.255 68.868 0.003 0.000 1.030 482 T HN 0.593 nan 8.240 nan 0.000 0.448 483 F N 3.107 123.299 119.950 0.404 0.000 2.411 483 F HA 0.516 5.043 4.527 -0.000 0.000 0.350 483 F C -0.576 175.422 175.800 0.330 0.000 1.114 483 F CA -0.457 57.761 58.000 0.363 0.000 1.135 483 F CB 0.721 39.938 39.000 0.363 0.000 1.120 483 F HN 0.592 nan 8.300 nan 0.000 0.495 484 Y N 4.694 124.930 120.300 -0.107 0.000 2.473 484 Y HA 0.279 4.829 4.550 -0.000 0.000 0.345 484 Y C -0.721 175.241 175.900 0.103 0.000 0.932 484 Y CA -0.672 57.453 58.100 0.041 0.000 1.124 484 Y CB -0.084 38.358 38.460 -0.031 0.000 1.162 484 Y HN 0.623 nan 8.280 nan 0.000 0.629 485 H N 0.081 119.253 119.070 0.169 0.000 3.094 485 H HA 0.502 5.058 4.556 -0.000 0.000 0.346 485 H C -1.265 174.340 175.328 0.462 0.000 1.238 485 H CA -0.776 55.371 56.048 0.165 0.000 1.209 485 H CB 1.237 30.853 29.762 -0.243 0.000 1.911 485 H HN 0.328 nan 8.280 nan 0.000 0.540 486 H N 1.215 120.145 119.070 -0.233 0.000 2.967 486 H HA 0.289 4.845 4.556 -0.000 0.000 0.318 486 H C -1.071 174.276 175.328 0.031 0.000 1.375 486 H CA -0.844 55.266 56.048 0.103 0.000 1.132 486 H CB 0.481 30.305 29.762 0.103 0.000 1.848 486 H HN 0.682 nan 8.280 nan 0.000 0.524 487 c N 1.816 120.511 118.600 0.160 0.000 2.627 487 c HA 0.062 4.632 4.570 -0.000 0.000 0.404 487 c C 1.708 175.773 174.090 -0.041 0.000 1.340 487 c CA 0.417 56.784 56.329 0.064 0.000 1.758 487 c CB -0.650 41.943 42.510 0.140 0.000 2.501 487 c HN 0.872 nan 8.230 nan 0.000 0.588 488 Q N 3.335 123.053 119.800 -0.137 0.000 2.391 488 Q HA 0.192 4.532 4.340 -0.000 0.000 0.211 488 Q C 1.915 177.897 176.000 -0.029 0.000 0.908 488 Q CA 1.223 56.940 55.803 -0.144 0.000 0.920 488 Q CB 0.092 28.708 28.738 -0.204 0.000 1.056 488 Q HN 0.897 nan 8.270 nan 0.000 0.523 489 A N -0.017 122.801 122.820 -0.003 0.000 1.968 489 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 489 A C 1.508 179.100 177.584 0.012 0.000 1.169 489 A CA 1.504 53.546 52.037 0.007 0.000 0.638 489 A CB -0.051 18.960 19.000 0.018 0.000 0.812 489 A HN 0.426 nan 8.150 nan 0.000 0.446 490 E N -1.473 118.740 120.200 0.023 0.000 2.538 490 E HA 0.204 4.554 4.350 -0.000 0.000 0.188 490 E C 1.842 178.450 176.600 0.012 0.000 1.014 490 E CA 0.170 56.581 56.400 0.018 0.000 1.140 490 E CB -0.213 29.502 29.700 0.024 0.000 1.262 490 E HN 0.401 nan 8.360 nan 0.000 0.488 491 G N 2.564 111.379 108.800 0.025 0.000 2.792 491 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.147 491 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.147 491 G C 0.117 175.009 174.900 -0.012 0.000 1.838 491 G CA -0.152 44.958 45.100 0.016 0.000 0.980 491 G HN 0.139 nan 8.290 nan 0.000 0.436 492 R N 1.012 121.502 120.500 -0.017 0.000 2.538 492 R HA 0.011 4.351 4.340 -0.000 0.000 0.273 492 R C -2.595 173.582 176.300 -0.204 0.000 0.967 492 R CA -0.622 55.412 56.100 -0.109 0.000 1.101 492 R CB -1.134 29.096 30.300 -0.115 0.000 0.908 492 R HN 0.084 nan 8.270 nan 0.000 0.411 493 P HA -0.053 nan 4.420 nan 0.000 0.266 493 P C 0.631 177.521 177.300 -0.685 0.000 1.193 493 P CA -0.096 62.661 63.100 -0.570 0.000 0.770 493 P CB 0.477 31.654 31.700 -0.873 0.000 0.836 494 E N 2.321 122.268 120.200 -0.423 0.000 2.097 494 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 494 E C 1.360 177.883 176.600 -0.128 0.000 1.000 494 E CA 1.257 57.554 56.400 -0.173 0.000 0.804 494 E CB -0.205 29.478 29.700 -0.027 0.000 0.740 494 E HN 0.624 nan 8.360 nan 0.000 0.454 495 W N 0.067 121.414 121.300 0.077 0.000 2.424 495 W HA 0.111 4.771 4.660 -0.000 0.000 0.264 495 W C 0.429 176.984 176.519 0.060 0.000 1.229 495 W CA 0.314 57.700 57.345 0.068 0.000 1.208 495 W CB -0.443 29.051 29.460 0.056 0.000 1.127 495 W HN -0.022 nan 8.180 nan 0.000 0.588 496 A N 1.534 124.415 122.820 0.102 0.000 2.350 496 A HA 0.494 4.814 4.320 -0.000 0.000 0.324 496 A C -1.026 176.468 177.584 -0.151 0.000 1.118 496 A CA -0.597 51.502 52.037 0.103 0.000 0.783 496 A CB 1.232 20.337 19.000 0.176 0.000 1.236 496 A HN -0.030 nan 8.150 nan 0.000 0.457 497 D N 0.932 121.253 120.400 -0.132 0.000 2.248 497 D HA 0.551 5.190 4.640 -0.000 0.000 0.246 497 D C 0.274 176.378 176.300 -0.326 0.000 1.027 497 D CA 0.902 54.723 54.000 -0.299 0.000 0.853 497 D CB 1.663 42.486 40.800 0.039 0.000 1.243 497 D HN 1.330 nan 8.370 nan 0.000 0.462 498 A N 0.880 123.459 122.820 -0.402 0.000 2.136 498 A HA 0.055 4.375 4.320 -0.000 0.000 0.274 498 A C 0.738 178.290 177.584 -0.052 0.000 1.388 498 A CA 0.519 52.531 52.037 -0.042 0.000 0.741 498 A CB -1.674 17.411 19.000 0.141 0.000 1.173 498 A HN 0.788 nan 8.150 nan 0.000 0.329 499 A N 2.207 124.985 122.820 -0.070 0.000 2.364 499 A HA 0.436 4.756 4.320 -0.000 0.000 0.258 499 A C 0.701 178.316 177.584 0.052 0.000 1.131 499 A CA 0.426 52.463 52.037 0.001 0.000 0.800 499 A CB -0.040 18.974 19.000 0.023 0.000 1.086 499 A HN 1.300 nan 8.150 nan 0.000 0.508 500 H N -0.289 118.749 119.070 -0.053 0.000 2.975 500 H HA 0.274 4.830 4.556 -0.000 0.000 0.303 500 H C 1.454 176.837 175.328 0.091 0.000 1.023 500 H CA 1.501 57.497 56.048 -0.087 0.000 1.473 500 H CB 0.149 29.823 29.762 -0.146 0.000 1.498 500 H HN 1.221 nan 8.280 nan 0.000 0.549 501 G N 5.084 113.758 108.800 -0.210 0.000 2.179 501 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 501 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 501 G C 0.829 175.973 174.900 0.406 0.000 0.977 501 G CA 0.450 45.702 45.100 0.254 0.000 0.641 501 G HN 0.633 nan 8.290 nan 0.000 0.533 502 D N 0.893 121.437 120.400 0.241 0.000 2.392 502 D HA 0.050 4.690 4.640 -0.000 0.000 0.228 502 D C 2.316 178.640 176.300 0.040 0.000 1.003 502 D CA 1.131 55.276 54.000 0.241 0.000 0.917 502 D CB 0.068 41.043 40.800 0.291 0.000 0.890 502 D HN 0.753 nan 8.370 nan 0.000 0.532 503 E N 0.382 120.434 120.200 -0.246 0.000 2.442 503 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 503 E C 1.808 178.113 176.600 -0.490 0.000 1.030 503 E CA 0.009 55.861 56.400 -0.913 0.000 0.869 503 E CB -0.268 28.998 29.700 -0.723 0.000 0.857 503 E HN 0.235 nan 8.360 nan 0.000 0.505 504 L N 1.903 123.004 121.223 -0.203 0.000 2.023 504 L HA 0.019 4.359 4.340 -0.000 0.000 0.205 504 L C -0.599 176.043 176.870 -0.379 0.000 1.073 504 L CA 1.686 56.417 54.840 -0.181 0.000 0.745 504 L CB -1.613 40.344 42.059 -0.169 0.000 0.900 504 L HN 0.058 nan 8.230 nan 0.000 0.435 505 P HA -0.200 nan 4.420 nan 0.000 0.218 505 P C 1.254 178.131 177.300 -0.706 0.000 1.148 505 P CA 1.607 64.058 63.100 -1.082 0.000 0.822 505 P CB -0.208 30.634 31.700 -1.429 0.000 0.784 506 Y N -0.630 119.471 120.300 -0.332 0.000 2.373 506 Y HA -0.063 4.487 4.550 -0.000 0.000 0.293 506 Y C 2.557 178.257 175.900 -0.332 0.000 1.129 506 Y CA 0.437 58.400 58.100 -0.229 0.000 1.226 506 Y CB -1.044 37.429 38.460 0.022 0.000 1.000 506 Y HN -0.257 nan 8.280 nan 0.000 0.549 507 V N -1.292 118.457 119.914 -0.276 0.000 2.719 507 V HA -0.219 3.901 4.120 -0.000 0.000 0.252 507 V C 1.441 177.273 176.094 -0.437 0.000 1.065 507 V CA 1.568 63.583 62.300 -0.475 0.000 1.086 507 V CB -0.496 31.032 31.823 -0.492 0.000 0.700 507 V HN 0.311 nan 8.190 nan 0.000 0.467 508 F N 0.250 119.977 119.950 -0.371 0.000 2.714 508 F HA 0.425 4.952 4.527 -0.000 0.000 0.294 508 F C 1.689 177.285 175.800 -0.339 0.000 1.120 508 F CA 0.820 58.620 58.000 -0.332 0.000 1.398 508 F CB 0.321 39.103 39.000 -0.363 0.000 1.120 508 F HN 0.244 nan 8.300 nan 0.000 0.589 509 G N 0.786 109.448 108.800 -0.230 0.000 2.452 509 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.275 509 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.275 509 G C 0.582 175.308 174.900 -0.290 0.000 1.131 509 G CA 0.215 45.157 45.100 -0.264 0.000 1.031 509 G HN 0.153 nan 8.290 nan 0.000 0.511 510 V N 0.294 119.962 119.914 -0.411 0.000 2.407 510 V HA -0.042 4.078 4.120 -0.000 0.000 0.245 510 V C 0.372 176.205 176.094 -0.437 0.000 1.041 510 V CA 2.230 64.251 62.300 -0.465 0.000 1.040 510 V CB -0.445 30.952 31.823 -0.710 0.000 0.671 510 V HN 0.453 nan 8.190 nan 0.000 0.455 511 P HA -0.019 nan 4.420 nan 0.000 0.242 511 P C 1.566 178.710 177.300 -0.259 0.000 1.197 511 P CA 0.921 63.775 63.100 -0.410 0.000 0.765 511 P CB -0.031 31.607 31.700 -0.104 0.000 0.936 512 M N -1.405 118.061 119.600 -0.223 0.000 2.447 512 M HA 0.021 4.501 4.480 -0.000 0.000 0.264 512 M C 1.606 177.825 176.300 -0.136 0.000 1.095 512 M CA 1.049 56.259 55.300 -0.150 0.000 1.125 512 M CB -0.329 32.169 32.600 -0.170 0.000 1.389 512 M HN -0.095 nan 8.290 nan 0.000 0.459 513 V N -1.765 118.037 119.914 -0.187 0.000 3.572 513 V HA 0.341 4.461 4.120 -0.000 0.000 0.260 513 V C 1.314 177.306 176.094 -0.170 0.000 1.324 513 V CA 1.346 63.560 62.300 -0.144 0.000 1.068 513 V CB 1.185 32.934 31.823 -0.123 0.000 0.837 513 V HN 0.548 nan 8.190 nan 0.000 0.450 514 G N -0.665 107.941 108.800 -0.323 0.000 3.617 514 G HA2 0.445 4.405 3.960 -0.000 0.000 0.217 514 G HA3 0.445 4.405 3.960 -0.000 0.000 0.217 514 G C 0.379 174.816 174.900 -0.771 0.000 0.967 514 G CA 0.433 45.285 45.100 -0.414 0.000 0.878 514 G HN 1.776 nan 8.290 nan 0.000 0.439 515 A N -0.767 121.730 122.820 -0.540 0.000 2.435 515 A HA 0.436 4.755 4.320 -0.000 0.000 0.686 515 A C 0.144 177.612 177.584 -0.195 0.000 0.138 515 A CA 0.586 52.352 52.037 -0.451 0.000 0.024 515 A CB -1.717 16.871 19.000 -0.687 0.000 3.974 515 A HN 1.560 nan 8.150 nan 0.000 0.548 516 T N 1.995 116.507 114.554 -0.070 0.000 2.810 516 T HA 0.494 4.844 4.350 -0.000 0.000 0.277 516 T C 1.101 175.789 174.700 -0.019 0.000 0.973 516 T CA 0.040 62.130 62.100 -0.017 0.000 0.949 516 T CB 0.457 69.349 68.868 0.041 0.000 1.075 516 T HN 0.616 nan 8.240 nan 0.000 0.537 517 D N 0.221 120.614 120.400 -0.010 0.000 2.311 517 D HA -0.058 4.581 4.640 -0.000 0.000 0.212 517 D C 1.619 177.860 176.300 -0.098 0.000 0.972 517 D CA 1.009 54.995 54.000 -0.024 0.000 0.887 517 D CB 0.019 40.835 40.800 0.026 0.000 0.915 517 D HN 0.352 nan 8.370 nan 0.000 0.497 518 L N -1.457 119.637 121.223 -0.214 0.000 2.590 518 L HA 0.146 4.486 4.340 -0.000 0.000 0.227 518 L C 0.470 176.843 176.870 -0.829 0.000 1.099 518 L CA 0.139 54.667 54.840 -0.520 0.000 0.872 518 L CB 0.255 41.858 42.059 -0.760 0.000 1.088 518 L HN -0.167 nan 8.230 nan 0.000 0.479 519 F N 0.558 120.413 119.950 -0.157 0.000 2.688 519 F HA 0.330 4.857 4.527 -0.000 0.000 0.376 519 F C -2.310 173.423 175.800 -0.112 0.000 1.428 519 F CA -1.629 56.272 58.000 -0.164 0.000 1.156 519 F CB 0.358 39.177 39.000 -0.302 0.000 1.141 519 F HN -0.134 nan 8.300 nan 0.000 0.521 520 P HA 0.262 nan 4.420 nan 0.000 0.227 520 P C -0.290 177.058 177.300 0.079 0.000 1.815 520 P CA -0.235 62.893 63.100 0.047 0.000 1.134 520 P CB 0.537 32.245 31.700 0.013 0.000 1.795 521 c N 1.653 120.327 118.600 0.124 0.000 2.967 521 c HA 0.541 5.111 4.570 -0.000 0.000 0.372 521 c C -0.041 174.172 174.090 0.205 0.000 1.455 521 c CA -0.929 55.477 56.329 0.128 0.000 1.638 521 c CB 0.875 43.440 42.510 0.091 0.000 2.096 521 c HN 0.254 nan 8.230 nan 0.000 0.466 522 N N 2.240 121.009 118.700 0.115 0.000 2.406 522 N HA 0.264 5.004 4.740 -0.000 0.000 0.269 522 N C -0.674 174.869 175.510 0.055 0.000 1.210 522 N CA 0.112 53.182 53.050 0.034 0.000 0.966 522 N CB -0.244 38.228 38.487 -0.025 0.000 1.293 522 N HN 0.670 nan 8.380 nan 0.000 0.491 523 F N 0.092 120.049 119.950 0.011 0.000 2.438 523 F HA 0.487 5.014 4.527 -0.000 0.000 0.356 523 F C 0.935 176.751 175.800 0.026 0.000 1.099 523 F CA -1.339 56.673 58.000 0.021 0.000 1.185 523 F CB 0.313 39.310 39.000 -0.005 0.000 1.115 523 F HN 0.175 nan 8.300 nan 0.000 0.526 524 S N 2.950 118.706 115.700 0.093 0.000 2.795 524 S HA 0.420 4.890 4.470 -0.000 0.000 0.308 524 S C 0.929 175.574 174.600 0.075 0.000 1.098 524 S CA -0.403 57.806 58.200 0.015 0.000 0.934 524 S CB 1.337 64.549 63.200 0.019 0.000 1.300 524 S HN 0.804 nan 8.310 nan 0.000 0.566 525 K N 0.680 121.105 120.400 0.041 0.000 2.147 525 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 525 K C 1.346 177.977 176.600 0.052 0.000 1.049 525 K CA 1.825 58.140 56.287 0.046 0.000 0.936 525 K CB -0.685 31.831 32.500 0.027 0.000 0.722 525 K HN 0.402 nan 8.250 nan 0.000 0.446 526 N N 1.455 120.191 118.700 0.060 0.000 2.142 526 N HA -0.123 4.616 4.740 -0.000 0.000 0.186 526 N C 1.161 176.695 175.510 0.039 0.000 1.023 526 N CA 1.589 54.656 53.050 0.029 0.000 0.852 526 N CB -0.281 38.239 38.487 0.056 0.000 0.998 526 N HN 0.300 nan 8.380 nan 0.000 0.424 527 D N -0.172 120.343 120.400 0.193 0.000 2.219 527 D HA -0.046 4.594 4.640 -0.000 0.000 0.205 527 D C 1.797 178.238 176.300 0.236 0.000 0.970 527 D CA 0.457 54.682 54.000 0.374 0.000 0.851 527 D CB -0.081 40.973 40.800 0.423 0.000 0.943 527 D HN 0.071 nan 8.370 nan 0.000 0.488 528 V N 1.042 121.033 119.914 0.129 0.000 2.446 528 V HA -0.127 3.993 4.120 -0.000 0.000 0.244 528 V C 2.367 178.455 176.094 -0.010 0.000 1.039 528 V CA 0.902 63.233 62.300 0.052 0.000 1.045 528 V CB -0.168 31.695 31.823 0.065 0.000 0.681 528 V HN 0.157 nan 8.190 nan 0.000 0.459 529 M N -0.606 118.988 119.600 -0.009 0.000 2.062 529 M HA -0.179 4.301 4.480 -0.000 0.000 0.259 529 M C 2.176 178.410 176.300 -0.110 0.000 1.076 529 M CA 2.120 57.392 55.300 -0.045 0.000 1.122 529 M CB -0.277 32.309 32.600 -0.023 0.000 1.312 529 M HN 0.337 nan 8.290 nan 0.000 0.412 530 L N 0.134 121.275 121.223 -0.137 0.000 2.187 530 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 530 L C 2.526 179.280 176.870 -0.194 0.000 1.100 530 L CA 1.849 56.547 54.840 -0.237 0.000 0.765 530 L CB -0.579 41.232 42.059 -0.414 0.000 0.904 530 L HN 0.428 nan 8.230 nan 0.000 0.437 531 S N -1.086 114.576 115.700 -0.063 0.000 2.355 531 S HA -0.144 4.326 4.470 -0.000 0.000 0.222 531 S C 2.150 176.584 174.600 -0.277 0.000 1.031 531 S CA 1.103 59.262 58.200 -0.070 0.000 0.993 531 S CB -0.303 62.870 63.200 -0.044 0.000 0.859 531 S HN 0.601 nan 8.310 nan 0.000 0.453 532 A N 0.768 123.390 122.820 -0.331 0.000 1.969 532 A HA 0.044 4.363 4.320 -0.000 0.000 0.218 532 A C 2.280 179.657 177.584 -0.344 0.000 1.169 532 A CA 1.517 53.255 52.037 -0.497 0.000 0.635 532 A CB -0.897 17.857 19.000 -0.409 0.000 0.810 532 A HN 0.446 nan 8.150 nan 0.000 0.445 533 V N 0.406 120.113 119.914 -0.345 0.000 2.287 533 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 533 V C 2.745 178.556 176.094 -0.471 0.000 1.053 533 V CA 2.253 64.258 62.300 -0.492 0.000 1.027 533 V CB -1.092 30.309 31.823 -0.703 0.000 0.646 533 V HN 0.598 nan 8.190 nan 0.000 0.447 534 V N -2.707 116.993 119.914 -0.357 0.000 2.453 534 V HA -0.202 3.917 4.120 -0.000 0.000 0.247 534 V C 2.208 178.106 176.094 -0.326 0.000 1.048 534 V CA 1.911 64.003 62.300 -0.347 0.000 1.049 534 V CB -0.859 30.593 31.823 -0.617 0.000 0.672 534 V HN 0.428 nan 8.190 nan 0.000 0.457 535 M N 0.865 120.290 119.600 -0.292 0.000 2.213 535 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 535 M C 2.388 178.771 176.300 0.139 0.000 1.062 535 M CA 2.296 57.525 55.300 -0.118 0.000 1.105 535 M CB -0.556 31.953 32.600 -0.151 0.000 1.385 535 M HN 0.493 nan 8.290 nan 0.000 0.417 536 T N -1.014 113.617 114.554 0.128 0.000 3.067 536 T HA -0.060 4.290 4.350 -0.000 0.000 0.261 536 T C 1.315 176.043 174.700 0.046 0.000 1.110 536 T CA 0.926 63.060 62.100 0.057 0.000 1.113 536 T CB -0.033 68.822 68.868 -0.022 0.000 0.917 536 T HN 0.266 nan 8.240 nan 0.000 0.499 537 Y N -0.361 120.067 120.300 0.213 0.000 2.176 537 Y HA 0.177 4.727 4.550 -0.000 0.000 0.291 537 Y C 2.339 178.458 175.900 0.365 0.000 1.122 537 Y CA 0.110 58.404 58.100 0.323 0.000 1.128 537 Y CB -0.791 37.997 38.460 0.546 0.000 1.005 537 Y HN 0.304 nan 8.280 nan 0.000 0.509 538 W N 0.836 122.215 121.300 0.133 0.000 2.317 538 W HA -0.298 4.361 4.660 -0.000 0.000 0.318 538 W C 2.545 179.082 176.519 0.030 0.000 1.227 538 W CA 2.082 59.440 57.345 0.022 0.000 1.269 538 W CB -0.714 28.670 29.460 -0.128 0.000 1.155 538 W HN 0.221 nan 8.180 nan 0.000 0.484 539 T N -1.405 113.282 114.554 0.222 0.000 2.708 539 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 539 T C 1.361 176.101 174.700 0.067 0.000 1.037 539 T CA 1.610 63.758 62.100 0.081 0.000 1.146 539 T CB -0.907 67.974 68.868 0.022 0.000 0.865 539 T HN -0.058 nan 8.240 nan 0.000 0.435 540 N N 1.139 119.894 118.700 0.092 0.000 2.137 540 N HA -0.044 4.696 4.740 -0.000 0.000 0.190 540 N C 1.313 176.860 175.510 0.062 0.000 1.017 540 N CA 1.166 54.255 53.050 0.065 0.000 0.859 540 N CB -0.749 37.791 38.487 0.088 0.000 1.002 540 N HN 0.511 nan 8.380 nan 0.000 0.428 541 F N 1.178 121.089 119.950 -0.065 0.000 2.146 541 F HA -0.013 4.514 4.527 -0.000 0.000 0.298 541 F C 2.080 177.840 175.800 -0.066 0.000 1.096 541 F CA 1.273 59.201 58.000 -0.120 0.000 1.275 541 F CB -0.519 38.351 39.000 -0.217 0.000 1.008 541 F HN 0.037 nan 8.300 nan 0.000 0.480 542 A N 0.668 123.423 122.820 -0.109 0.000 2.067 542 A HA -0.156 4.163 4.320 -0.000 0.000 0.219 542 A C 2.073 179.564 177.584 -0.155 0.000 1.158 542 A CA 1.657 53.589 52.037 -0.175 0.000 0.661 542 A CB -0.764 18.207 19.000 -0.049 0.000 0.801 542 A HN 0.615 nan 8.150 nan 0.000 0.452 543 K N -2.414 117.919 120.400 -0.112 0.000 2.355 543 K HA 0.174 4.494 4.320 -0.000 0.000 0.198 543 K C 0.532 177.084 176.600 -0.081 0.000 1.039 543 K CA 1.058 57.299 56.287 -0.076 0.000 1.075 543 K CB 0.354 32.829 32.500 -0.041 0.000 0.870 543 K HN 0.208 nan 8.250 nan 0.000 0.540 544 T N -0.828 113.658 114.554 -0.114 0.000 3.098 544 T HA 0.207 4.557 4.350 -0.000 0.000 0.256 544 T C 1.022 175.654 174.700 -0.113 0.000 0.921 544 T CA 0.276 62.328 62.100 -0.081 0.000 0.916 544 T CB 1.033 69.882 68.868 -0.032 0.000 1.246 544 T HN 0.354 nan 8.240 nan 0.000 0.511 545 G N 2.349 110.999 108.800 -0.251 0.000 2.141 545 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.242 545 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.242 545 G C -0.323 174.655 174.900 0.129 0.000 0.982 545 G CA 0.198 45.141 45.100 -0.260 0.000 0.662 545 G HN 0.728 nan 8.290 nan 0.000 0.527 546 D N -1.066 119.374 120.400 0.067 0.000 2.891 546 D HA 0.524 5.164 4.640 -0.000 0.000 0.224 546 D C -1.254 174.979 176.300 -0.111 0.000 1.321 546 D CA -1.334 52.633 54.000 -0.054 0.000 0.929 546 D CB 1.816 42.623 40.800 0.011 0.000 1.551 546 D HN -0.072 nan 8.370 nan 0.000 0.574 547 P HA -0.044 nan 4.420 nan 0.000 0.230 547 P C 0.455 177.840 177.300 0.141 0.000 1.158 547 P CA 0.471 63.525 63.100 -0.077 0.000 0.769 547 P CB 0.389 31.868 31.700 -0.369 0.000 0.807 548 N N -0.319 118.407 118.700 0.043 0.000 2.300 548 N HA -0.048 4.692 4.740 -0.000 0.000 0.179 548 N C 0.767 176.345 175.510 0.113 0.000 1.016 548 N CA 0.864 54.008 53.050 0.158 0.000 0.876 548 N CB -0.125 38.435 38.487 0.123 0.000 0.979 548 N HN 0.370 nan 8.380 nan 0.000 0.432 549 Q N -0.876 118.961 119.800 0.062 0.000 2.347 549 Q HA 0.331 4.671 4.340 -0.000 0.000 0.271 549 Q C -2.055 173.959 176.000 0.024 0.000 1.064 549 Q CA -1.631 54.198 55.803 0.043 0.000 0.800 549 Q CB 3.353 32.114 28.738 0.039 0.000 1.304 549 Q HN 0.021 nan 8.270 nan 0.000 0.438 550 P HA 0.017 nan 4.420 nan 0.000 0.233 550 P C 0.124 177.429 177.300 0.008 0.000 1.119 550 P CA 0.138 63.245 63.100 0.011 0.000 0.951 550 P CB 0.819 32.519 31.700 -0.000 0.000 1.004 551 V N 5.301 125.210 119.914 -0.008 0.000 2.421 551 V HA 0.162 4.282 4.120 -0.000 0.000 0.271 551 V C -2.045 174.042 176.094 -0.011 0.000 1.031 551 V CA -1.857 60.429 62.300 -0.024 0.000 1.032 551 V CB -0.184 31.601 31.823 -0.063 0.000 1.009 551 V HN 0.039 nan 8.190 nan 0.000 0.477 552 P HA 0.002 nan 4.420 nan 0.000 0.267 552 P C -0.516 176.785 177.300 0.001 0.000 1.200 552 P CA -0.017 63.094 63.100 0.018 0.000 0.772 552 P CB 0.485 32.195 31.700 0.018 0.000 0.855 553 Q N 1.916 121.727 119.800 0.017 0.000 2.815 553 Q HA 0.057 4.397 4.340 -0.000 0.000 0.235 553 Q C -0.642 175.362 176.000 0.006 0.000 1.354 553 Q CA 0.765 56.559 55.803 -0.014 0.000 0.953 553 Q CB -0.781 27.970 28.738 0.020 0.000 1.613 553 Q HN 0.370 nan 8.270 nan 0.000 0.572 554 D N 0.478 120.873 120.400 -0.007 0.000 2.454 554 D HA 0.093 4.733 4.640 -0.000 0.000 0.247 554 D C -0.470 175.827 176.300 -0.006 0.000 1.129 554 D CA -0.221 53.774 54.000 -0.009 0.000 0.877 554 D CB 1.042 41.830 40.800 -0.019 0.000 1.082 554 D HN 0.070 nan 8.370 nan 0.000 0.537 555 T N 3.009 117.562 114.554 -0.002 0.000 3.313 555 T HA 0.166 4.516 4.350 -0.000 0.000 0.263 555 T C 0.346 175.048 174.700 0.004 0.000 0.983 555 T CA -0.505 61.610 62.100 0.025 0.000 0.963 555 T CB -0.333 68.544 68.868 0.015 0.000 1.141 555 T HN 0.054 nan 8.240 nan 0.000 0.526 556 K N 1.793 122.137 120.400 -0.092 0.000 2.715 556 K HA 0.436 4.756 4.320 -0.000 0.000 0.248 556 K C -0.959 175.447 176.600 -0.324 0.000 1.276 556 K CA 0.027 56.206 56.287 -0.179 0.000 1.209 556 K CB -0.811 31.551 32.500 -0.230 0.000 1.509 556 K HN 0.478 nan 8.250 nan 0.000 0.261 564 R N -0.677 119.840 120.500 0.028 0.000 3.932 564 R HA -0.203 4.137 4.340 -0.000 0.000 0.318 564 R C -0.261 175.910 176.300 -0.216 0.000 1.219 564 R CA 1.655 57.704 56.100 -0.085 0.000 0.889 564 R CB -1.821 28.393 30.300 -0.143 0.000 1.309 564 R HN 0.368 nan 8.270 nan 0.000 0.537 565 F N -2.621 117.347 119.950 0.029 0.000 2.975 565 F HA 0.100 4.627 4.527 -0.000 0.000 0.366 565 F C 1.897 177.750 175.800 0.088 0.000 1.071 565 F CA 0.062 58.111 58.000 0.082 0.000 1.102 565 F CB 0.339 39.417 39.000 0.130 0.000 1.176 565 F HN -0.093 nan 8.300 nan 0.000 0.545 566 E N 2.183 122.492 120.200 0.182 0.000 2.082 566 E HA -0.246 4.104 4.350 -0.000 0.000 0.215 566 E C 1.154 177.829 176.600 0.125 0.000 1.048 566 E CA 2.293 58.767 56.400 0.124 0.000 0.869 566 E CB -0.117 29.623 29.700 0.067 0.000 0.773 566 E HN 0.374 nan 8.360 nan 0.000 0.466 567 E N 0.465 120.724 120.200 0.098 0.000 3.105 567 E HA 0.152 4.501 4.350 -0.000 0.000 0.219 567 E C -0.365 176.294 176.600 0.098 0.000 1.064 567 E CA -0.212 56.242 56.400 0.092 0.000 1.342 567 E CB 0.136 29.870 29.700 0.056 0.000 1.295 567 E HN 0.196 nan 8.360 nan 0.000 0.438 568 V N -1.303 118.700 119.914 0.149 0.000 2.530 568 V HA 0.302 4.422 4.120 -0.000 0.000 0.282 568 V C 0.414 176.615 176.094 0.178 0.000 1.048 568 V CA -0.976 61.407 62.300 0.139 0.000 0.997 568 V CB 1.471 33.394 31.823 0.166 0.000 0.987 568 V HN 0.138 nan 8.190 nan 0.000 0.477 569 V N 7.648 127.648 119.914 0.142 0.000 2.288 569 V HA 0.341 4.460 4.120 -0.000 0.000 0.266 569 V C -0.562 175.689 176.094 0.262 0.000 1.048 569 V CA -0.460 61.949 62.300 0.182 0.000 0.842 569 V CB 0.488 32.389 31.823 0.130 0.000 1.064 569 V HN 1.021 nan 8.190 nan 0.000 0.472 570 W N 7.130 128.488 121.300 0.095 0.000 2.085 570 W HA 0.491 5.151 4.660 -0.000 0.000 0.392 570 W C 0.377 177.043 176.519 0.245 0.000 0.862 570 W CA -0.999 56.418 57.345 0.119 0.000 1.542 570 W CB 0.176 29.646 29.460 0.016 0.000 1.672 570 W HN 0.617 nan 8.180 nan 0.000 0.309 571 S N 3.132 119.161 115.700 0.547 0.000 2.608 571 S HA 0.208 4.678 4.470 -0.000 0.000 0.261 571 S C 0.357 175.222 174.600 0.443 0.000 1.314 571 S CA -0.402 58.045 58.200 0.412 0.000 0.992 571 S CB 0.976 64.324 63.200 0.246 0.000 0.935 571 S HN 0.261 nan 8.310 nan 0.000 0.564 572 K N 0.515 121.028 120.400 0.188 0.000 2.355 572 K HA 0.120 4.440 4.320 -0.000 0.000 0.270 572 K C -0.324 176.336 176.600 0.100 0.000 1.003 572 K CA -0.028 56.197 56.287 -0.104 0.000 0.957 572 K CB 0.218 32.634 32.500 -0.140 0.000 0.939 572 K HN 0.454 nan 8.250 nan 0.000 0.482 573 F N 2.816 122.756 119.950 -0.017 0.000 2.538 573 F HA 0.010 4.537 4.527 -0.000 0.000 0.371 573 F C 0.405 176.233 175.800 0.047 0.000 1.087 573 F CA 0.313 58.370 58.000 0.095 0.000 1.250 573 F CB 0.317 39.418 39.000 0.167 0.000 1.110 573 F HN 0.493 nan 8.300 nan 0.000 0.570 574 N N 2.823 121.319 118.700 -0.339 0.000 2.384 574 N HA 0.175 4.915 4.740 -0.000 0.000 0.301 574 N C 0.209 175.574 175.510 -0.242 0.000 1.133 574 N CA -0.617 52.330 53.050 -0.171 0.000 0.853 574 N CB 1.808 40.213 38.487 -0.137 0.000 1.241 574 N HN 0.630 nan 8.380 nan 0.000 0.502 575 S N 0.933 116.619 115.700 -0.024 0.000 2.453 575 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 575 S C 1.411 175.988 174.600 -0.039 0.000 1.005 575 S CA 0.900 59.114 58.200 0.024 0.000 0.949 575 S CB 0.068 63.294 63.200 0.043 0.000 0.774 575 S HN 0.564 nan 8.310 nan 0.000 0.510 576 K N 0.337 120.692 120.400 -0.074 0.000 2.329 576 K HA 0.171 4.491 4.320 -0.000 0.000 0.198 576 K C 1.431 177.972 176.600 -0.097 0.000 1.085 576 K CA 0.452 56.701 56.287 -0.063 0.000 0.961 576 K CB 0.267 32.744 32.500 -0.038 0.000 0.971 576 K HN -0.033 nan 8.250 nan 0.000 0.502 577 E N 0.979 121.093 120.200 -0.143 0.000 2.364 577 E HA -0.003 4.347 4.350 -0.000 0.000 0.196 577 E C -0.701 175.767 176.600 -0.220 0.000 0.990 577 E CA 0.202 56.519 56.400 -0.137 0.000 0.886 577 E CB 0.425 30.071 29.700 -0.091 0.000 0.866 577 E HN 0.144 nan 8.360 nan 0.000 0.493 578 K N 1.373 121.493 120.400 -0.467 0.000 3.602 578 K HA -0.292 4.028 4.320 -0.000 0.000 0.274 578 K C -1.148 175.264 176.600 -0.314 0.000 0.864 578 K CA 0.595 56.400 56.287 -0.804 0.000 0.682 578 K CB -2.417 29.678 32.500 -0.676 0.000 1.576 578 K HN 0.134 nan 8.250 nan 0.000 0.447 579 Q N 0.633 120.340 119.800 -0.154 0.000 2.340 579 Q HA 0.529 4.869 4.340 -0.000 0.000 0.249 579 Q C -0.007 176.161 176.000 0.280 0.000 0.957 579 Q CA -0.205 55.633 55.803 0.058 0.000 0.882 579 Q CB 0.433 29.212 28.738 0.068 0.000 1.235 579 Q HN 0.559 nan 8.270 nan 0.000 0.439 580 Y N -1.228 119.157 120.300 0.141 0.000 2.562 580 Y HA 0.574 5.124 4.550 -0.000 0.000 0.345 580 Y C -1.617 174.299 175.900 0.028 0.000 1.045 580 Y CA -1.709 56.531 58.100 0.232 0.000 1.028 580 Y CB 1.009 39.598 38.460 0.215 0.000 1.297 580 Y HN 0.506 nan 8.280 nan 0.000 0.463 581 L N 4.823 125.978 121.223 -0.113 0.000 2.290 581 L HA 0.222 4.562 4.340 -0.000 0.000 0.284 581 L C -0.340 176.493 176.870 -0.061 0.000 1.078 581 L CA 0.077 54.599 54.840 -0.530 0.000 0.815 581 L CB 0.271 41.382 42.059 -1.580 0.000 1.162 581 L HN 0.966 nan 8.230 nan 0.000 0.435 582 H N 6.761 125.695 119.070 -0.227 0.000 2.821 582 H HA 0.255 4.810 4.556 -0.000 0.000 0.262 582 H C -0.260 175.040 175.328 -0.047 0.000 1.402 582 H CA -0.464 55.556 56.048 -0.046 0.000 1.293 582 H CB 0.282 29.938 29.762 -0.178 0.000 1.533 582 H HN 0.532 nan 8.280 nan 0.000 0.528 583 I N 3.775 124.280 120.570 -0.109 0.000 2.496 583 I HA 0.237 4.407 4.170 -0.000 0.000 0.285 583 I C 0.978 176.926 176.117 -0.283 0.000 1.080 583 I CA 0.892 62.165 61.300 -0.045 0.000 1.404 583 I CB 1.119 39.108 38.000 -0.018 0.000 1.403 583 I HN 0.781 nan 8.210 nan 0.000 0.539 584 G N 4.500 113.207 108.800 -0.156 0.000 2.351 584 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.353 584 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.353 584 G C 0.030 174.900 174.900 -0.050 0.000 1.358 584 G CA -1.023 43.970 45.100 -0.178 0.000 0.995 584 G HN 0.293 nan 8.290 nan 0.000 0.611 585 L N -0.650 120.566 121.223 -0.012 0.000 2.085 585 L HA -0.083 4.257 4.340 -0.000 0.000 0.218 585 L C 1.704 178.559 176.870 -0.025 0.000 1.080 585 L CA 1.724 56.564 54.840 0.000 0.000 0.776 585 L CB -1.046 41.056 42.059 0.071 0.000 0.891 585 L HN 0.506 nan 8.230 nan 0.000 0.437 586 K N 0.609 121.014 120.400 0.009 0.000 2.423 586 K HA 0.344 4.664 4.320 -0.000 0.000 0.234 586 K C -2.307 174.261 176.600 -0.053 0.000 1.051 586 K CA -1.712 54.550 56.287 -0.042 0.000 1.021 586 K CB 1.262 33.748 32.500 -0.022 0.000 1.474 586 K HN 0.075 nan 8.250 nan 0.000 0.474 587 P HA 0.366 nan 4.420 nan 0.000 0.285 587 P C -0.656 176.468 177.300 -0.293 0.000 1.259 587 P CA -0.503 62.378 63.100 -0.365 0.000 0.794 587 P CB 1.057 32.086 31.700 -1.119 0.000 0.940 588 R N 0.990 121.357 120.500 -0.222 0.000 2.733 588 R HA 0.571 4.911 4.340 -0.000 0.000 0.272 588 R C -1.420 174.721 176.300 -0.266 0.000 1.029 588 R CA -0.980 54.979 56.100 -0.235 0.000 0.888 588 R CB 1.644 31.789 30.300 -0.258 0.000 1.251 588 R HN 0.081 nan 8.270 nan 0.000 0.464 589 V N 2.473 122.236 119.914 -0.251 0.000 2.275 589 V HA 0.400 4.520 4.120 -0.000 0.000 0.272 589 V C -0.226 175.680 176.094 -0.313 0.000 1.028 589 V CA -0.627 61.500 62.300 -0.288 0.000 0.810 589 V CB 0.883 32.619 31.823 -0.145 0.000 1.043 589 V HN 0.480 nan 8.190 nan 0.000 0.453 590 R N 2.169 122.335 120.500 -0.558 0.000 2.490 590 R HA 0.296 4.636 4.340 -0.000 0.000 0.278 590 R C 1.009 177.191 176.300 -0.197 0.000 1.069 590 R CA -0.170 55.685 56.100 -0.408 0.000 1.080 590 R CB 0.534 30.555 30.300 -0.465 0.000 1.030 590 R HN 0.536 nan 8.270 nan 0.000 0.491 591 D N 0.524 120.889 120.400 -0.057 0.000 2.224 591 D HA -0.032 4.608 4.640 -0.000 0.000 0.205 591 D C -0.217 176.121 176.300 0.063 0.000 0.965 591 D CA 1.372 55.369 54.000 -0.004 0.000 0.852 591 D CB 0.252 41.043 40.800 -0.015 0.000 0.947 591 D HN 0.309 nan 8.370 nan 0.000 0.494 592 N N -0.805 117.991 118.700 0.161 0.000 2.367 592 N HA 0.077 4.817 4.740 -0.000 0.000 0.278 592 N C -1.834 173.908 175.510 0.388 0.000 1.117 592 N CA -0.490 52.685 53.050 0.209 0.000 0.867 592 N CB 2.235 40.777 38.487 0.092 0.000 1.649 592 N HN -0.104 nan 8.380 nan 0.000 0.479 593 Y N 2.325 122.682 120.300 0.095 0.000 2.331 593 Y HA 0.289 4.839 4.550 -0.000 0.000 0.338 593 Y C 0.871 176.778 175.900 0.012 0.000 0.992 593 Y CA -0.220 57.843 58.100 -0.063 0.000 1.121 593 Y CB 0.643 38.767 38.460 -0.561 0.000 1.184 593 Y HN 0.474 nan 8.280 nan 0.000 0.469 594 R N 3.210 123.474 120.500 -0.394 0.000 3.460 594 R HA -0.295 4.045 4.340 -0.000 0.000 0.254 594 R C 1.192 177.476 176.300 -0.027 0.000 1.028 594 R CA 0.704 56.654 56.100 -0.251 0.000 0.688 594 R CB -1.929 28.183 30.300 -0.313 0.000 1.062 594 R HN 0.835 nan 8.270 nan 0.000 0.463 595 A N 0.876 123.701 122.820 0.008 0.000 1.927 595 A HA -0.342 3.977 4.320 -0.000 0.000 0.220 595 A C 2.033 179.649 177.584 0.054 0.000 1.185 595 A CA 2.012 54.080 52.037 0.051 0.000 0.639 595 A CB -0.408 18.616 19.000 0.041 0.000 0.820 595 A HN 0.574 nan 8.150 nan 0.000 0.451 596 N N -0.092 118.618 118.700 0.018 0.000 2.027 596 N HA -0.225 4.515 4.740 -0.000 0.000 0.200 596 N C 1.622 177.150 175.510 0.031 0.000 1.042 596 N CA 2.434 55.487 53.050 0.005 0.000 0.871 596 N CB -0.174 38.288 38.487 -0.042 0.000 1.063 596 N HN 0.441 nan 8.380 nan 0.000 0.438 597 K N -0.073 120.349 120.400 0.036 0.000 2.076 597 K HA 0.063 4.383 4.320 -0.000 0.000 0.204 597 K C 2.221 179.027 176.600 0.344 0.000 1.051 597 K CA 0.554 56.918 56.287 0.128 0.000 0.949 597 K CB -0.884 31.706 32.500 0.149 0.000 0.726 597 K HN 0.111 nan 8.250 nan 0.000 0.443 598 V N 2.374 122.472 119.914 0.306 0.000 2.278 598 V HA -0.319 3.801 4.120 -0.000 0.000 0.251 598 V C 2.565 178.834 176.094 0.292 0.000 1.062 598 V CA 2.175 64.677 62.300 0.337 0.000 1.038 598 V CB -0.860 31.103 31.823 0.233 0.000 0.646 598 V HN 0.346 nan 8.190 nan 0.000 0.447 599 A N -0.435 122.505 122.820 0.199 0.000 1.851 599 A HA -0.289 4.031 4.320 -0.000 0.000 0.216 599 A C 2.108 179.781 177.584 0.148 0.000 1.195 599 A CA 2.221 54.348 52.037 0.150 0.000 0.622 599 A CB -0.926 18.137 19.000 0.105 0.000 0.831 599 A HN 0.540 nan 8.150 nan 0.000 0.444 600 F N -0.520 119.411 119.950 -0.031 0.000 2.082 600 F HA -0.314 4.213 4.527 -0.000 0.000 0.298 600 F C 1.960 177.672 175.800 -0.146 0.000 1.091 600 F CA 2.180 60.074 58.000 -0.177 0.000 1.230 600 F CB -0.656 38.118 39.000 -0.376 0.000 0.983 600 F HN 0.443 nan 8.300 nan 0.000 0.485 601 W N -0.149 121.164 121.300 0.022 0.000 2.413 601 W HA -0.061 4.599 4.660 -0.000 0.000 0.315 601 W C 2.268 178.774 176.519 -0.023 0.000 1.186 601 W CA 0.605 57.924 57.345 -0.043 0.000 1.326 601 W CB -0.993 28.566 29.460 0.166 0.000 1.153 601 W HN -0.065 nan 8.180 nan 0.000 0.489 602 L N 0.345 121.729 121.223 0.268 0.000 2.201 602 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 602 L C 2.242 179.182 176.870 0.116 0.000 1.105 602 L CA 1.459 56.404 54.840 0.176 0.000 0.775 602 L CB -0.594 41.564 42.059 0.164 0.000 0.913 602 L HN -0.058 nan 8.230 nan 0.000 0.440 603 E N -0.564 119.678 120.200 0.071 0.000 2.067 603 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 603 E C 1.831 178.466 176.600 0.058 0.000 0.950 603 E CA 0.683 57.115 56.400 0.054 0.000 0.872 603 E CB -0.573 29.142 29.700 0.025 0.000 0.877 603 E HN 0.228 nan 8.360 nan 0.000 0.470 604 L N -0.186 121.003 121.223 -0.056 0.000 2.554 604 L HA 0.237 4.577 4.340 -0.000 0.000 0.225 604 L C 1.991 178.801 176.870 -0.101 0.000 1.104 604 L CA 0.554 55.355 54.840 -0.065 0.000 0.866 604 L CB -1.239 40.740 42.059 -0.134 0.000 1.047 604 L HN -0.146 nan 8.230 nan 0.000 0.468 605 V N 1.997 121.761 119.914 -0.250 0.000 2.332 605 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 605 V C 0.193 176.276 176.094 -0.019 0.000 1.055 605 V CA 2.251 64.404 62.300 -0.245 0.000 1.038 605 V CB -1.653 30.036 31.823 -0.223 0.000 0.651 605 V HN 0.335 nan 8.190 nan 0.000 0.450 606 P HA -0.156 nan 4.420 nan 0.000 0.216 606 P C 0.978 178.283 177.300 0.009 0.000 1.150 606 P CA 1.426 64.618 63.100 0.154 0.000 0.843 606 P CB -0.201 31.544 31.700 0.074 0.000 0.787 607 H N -1.537 117.496 119.070 -0.062 0.000 2.611 607 H HA 0.143 4.699 4.556 -0.000 0.000 0.283 607 H C 0.784 176.006 175.328 -0.177 0.000 1.075 607 H CA 0.516 56.510 56.048 -0.089 0.000 1.184 607 H CB -1.110 28.608 29.762 -0.074 0.000 1.294 607 H HN 0.132 nan 8.280 nan 0.000 0.619 608 L N -0.955 120.098 121.223 -0.283 0.000 3.289 608 L HA 0.249 4.589 4.340 -0.000 0.000 0.291 608 L C 0.097 176.488 176.870 -0.798 0.000 1.279 608 L CA 0.046 54.604 54.840 -0.471 0.000 1.025 608 L CB 0.250 42.022 42.059 -0.479 0.000 1.413 608 L HN 0.353 nan 8.230 nan 0.000 0.593 609 H N -2.697 116.257 119.070 -0.193 0.000 2.984 609 H HA 0.255 4.811 4.556 -0.000 0.000 0.137 609 H C 0.399 175.648 175.328 -0.131 0.000 1.110 609 H CA -0.612 55.264 56.048 -0.287 0.000 1.070 609 H CB 0.108 29.549 29.762 -0.536 0.000 1.019 609 H HN 0.028 nan 8.280 nan 0.000 0.291 610 N N 0.000 118.724 118.700 0.040 0.000 1.763 610 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 610 N CA 0.000 53.059 53.050 0.016 0.000 0.885 610 N CB 0.000 38.486 38.487 -0.001 0.000 1.341 610 N HN 0.000 nan 8.380 nan 0.000 0.667