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 1myr_1_A DATA FIRST_RESID 3 DATA SEQUENCE EITcQENNPF TcGNTDGLNS SSFEADFIFG VASSAYQIEG TIGRGLNIWD DATA SEQUENCE GFTHRYPDKS GPDHGNGDTT CDSFSYWQKD IDVLDELNAT GYRFSIAWSR DATA SEQUENCE IIPRGKRSRG VNQKGIDYYH GLIDGLIKKG ITPFVTLFHW DLPQTLQDEY DATA SEQUENCE EGFLDPQIID DFKDYADLCF EEFGDSVKYW LTINQLYSVP TRGYGSALDA DATA SEQUENCE PGRcSPTVDP ScYAGNSSTE PYIVAHHQLL AHAKVVDLYR KNYTHQGGKI DATA SEQUENCE GPTMITRWFL PYNDTDRHSI AATERMKQFF LGWFMGPLTN GTYPQIMIDT DATA SEQUENCE VGARLPTFSP EETNLVKGSY DFLGLNYYFT QYAQPSPNPV NATNHTAMMD DATA SEQUENCE AGAKLTYINA SGHYIGPLFE SDGGDGSSNI YYYPKGIYSV MDYFKNKYYN DATA SEQUENCE PLIYVTENGI STPGSENRKE SMLDYTRIDY LcSHLcFLNK VIKEKDVNVK DATA SEQUENCE GYLAWALGDN YEFNNGFTVR FGLSYINWNN VTDRDLKKSG QWYQKFISP 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.569 176.600 -0.052 0.000 1.382 3 E CA 0.000 56.379 56.400 -0.034 0.000 0.976 3 E CB 0.000 29.684 29.700 -0.026 0.000 0.812 4 I N 2.803 123.333 120.570 -0.066 0.000 2.371 4 I HA 0.255 4.425 4.170 0.000 0.000 0.290 4 I C 0.325 176.364 176.117 -0.130 0.000 1.028 4 I CA 0.007 61.246 61.300 -0.101 0.000 1.345 4 I CB 1.442 39.373 38.000 -0.115 0.000 1.407 4 I HN 0.249 nan 8.210 nan 0.000 0.501 5 T N 5.450 119.918 114.554 -0.145 0.000 2.824 5 T HA 0.424 4.774 4.350 0.000 0.000 0.282 5 T C -0.664 173.891 174.700 -0.242 0.000 0.993 5 T CA -0.281 61.720 62.100 -0.165 0.000 0.967 5 T CB 1.137 69.947 68.868 -0.096 0.000 0.960 5 T HN 0.569 nan 8.240 nan 0.000 0.441 6 c N 3.017 121.378 118.600 -0.399 0.000 2.634 6 c HA 0.528 5.098 4.570 0.000 0.000 0.313 6 c C 0.147 174.079 174.090 -0.263 0.000 1.198 6 c CA -1.109 54.889 56.329 -0.551 0.000 1.605 6 c CB 1.527 43.156 42.510 -1.468 0.000 2.196 6 c HN 0.851 nan 8.230 nan 0.000 0.486 7 Q N 0.835 120.628 119.800 -0.013 0.000 2.293 7 Q HA 0.222 4.562 4.340 0.000 0.000 0.251 7 Q C 0.502 176.786 176.000 0.473 0.000 0.930 7 Q CA 0.119 56.056 55.803 0.223 0.000 0.893 7 Q CB 1.283 30.216 28.738 0.326 0.000 1.215 7 Q HN 0.680 nan 8.270 nan 0.000 0.425 8 E N 0.605 121.034 120.200 0.382 0.000 2.447 8 E HA 0.104 4.454 4.350 0.000 0.000 0.204 8 E C -0.337 176.462 176.600 0.332 0.000 0.977 8 E CA 0.163 56.791 56.400 0.381 0.000 0.950 8 E CB 0.657 30.500 29.700 0.239 0.000 0.975 8 E HN 0.475 nan 8.360 nan 0.000 0.496 9 N N 1.079 119.827 118.700 0.081 0.000 2.240 9 N HA 0.220 4.960 4.740 0.000 0.000 0.302 9 N C -0.978 174.119 175.510 -0.688 0.000 1.106 9 N CA -0.478 52.475 53.050 -0.162 0.000 0.778 9 N CB 1.361 39.815 38.487 -0.055 0.000 1.431 9 N HN -0.029 nan 8.380 nan 0.000 0.479 10 N N 1.196 119.501 118.700 -0.657 0.000 2.395 10 N HA 0.108 4.848 4.740 0.000 0.000 0.246 10 N C -2.048 173.231 175.510 -0.383 0.000 1.246 10 N CA -0.537 52.112 53.050 -0.669 0.000 0.879 10 N CB 0.343 38.666 38.487 -0.274 0.000 1.098 10 N HN 0.349 nan 8.380 nan 0.000 0.444 11 P HA 0.270 nan 4.420 nan 0.000 0.284 11 P C -1.150 175.915 177.300 -0.393 0.000 1.258 11 P CA -0.196 62.722 63.100 -0.304 0.000 0.824 11 P CB 0.677 32.301 31.700 -0.127 0.000 1.038 12 F N 0.126 120.095 119.950 0.032 0.000 2.378 12 F HA 0.370 4.897 4.527 0.000 0.000 0.325 12 F C 1.703 177.505 175.800 0.004 0.000 1.097 12 F CA -0.108 57.906 58.000 0.023 0.000 1.079 12 F CB 1.154 40.177 39.000 0.037 0.000 1.240 12 F HN 0.338 nan 8.300 nan 0.000 0.519 13 T N -4.127 110.550 114.554 0.204 0.000 3.170 13 T HA 0.088 4.438 4.350 0.000 0.000 0.288 13 T C 0.852 175.616 174.700 0.106 0.000 0.992 13 T CA -0.015 62.153 62.100 0.112 0.000 0.909 13 T CB -1.124 67.784 68.868 0.067 0.000 1.133 13 T HN 0.736 nan 8.240 nan 0.000 0.530 14 c N 0.389 119.056 118.600 0.113 0.000 2.576 14 c HA 0.571 5.141 4.570 0.000 0.000 0.267 14 c C 2.514 176.663 174.090 0.099 0.000 1.364 14 c CA -0.159 56.226 56.329 0.092 0.000 1.723 14 c CB -1.693 40.844 42.510 0.045 0.000 1.778 14 c HN 0.575 nan 8.230 nan 0.000 0.572 15 G N 0.943 109.751 108.800 0.013 0.000 2.744 15 G HA2 -0.058 3.902 3.960 0.000 0.000 0.211 15 G HA3 -0.058 3.902 3.960 0.000 0.000 0.211 15 G C 0.540 175.589 174.900 0.248 0.000 1.143 15 G CA 0.058 45.115 45.100 -0.071 0.000 0.788 15 G HN 0.558 nan 8.290 nan 0.000 0.534 16 N N 1.277 120.107 118.700 0.217 0.000 2.406 16 N HA 0.074 4.814 4.740 0.000 0.000 0.251 16 N C 1.632 177.287 175.510 0.241 0.000 1.069 16 N CA 0.280 53.455 53.050 0.209 0.000 0.947 16 N CB 1.221 39.784 38.487 0.127 0.000 1.111 16 N HN 0.056 nan 8.380 nan 0.000 0.497 17 T N -0.079 114.629 114.554 0.257 0.000 3.113 17 T HA -0.035 4.315 4.350 0.000 0.000 0.263 17 T C 0.807 175.548 174.700 0.069 0.000 1.143 17 T CA 0.565 62.774 62.100 0.180 0.000 1.090 17 T CB 0.104 69.033 68.868 0.102 0.000 0.922 17 T HN 0.260 nan 8.240 nan 0.000 0.521 18 D N 1.954 122.397 120.400 0.071 0.000 2.117 18 D HA 0.026 4.666 4.640 0.000 0.000 0.197 18 D C 2.333 178.652 176.300 0.032 0.000 0.987 18 D CA 1.514 55.535 54.000 0.035 0.000 0.829 18 D CB -0.770 40.052 40.800 0.037 0.000 0.961 18 D HN 0.585 nan 8.370 nan 0.000 0.460 19 G N -0.652 108.185 108.800 0.061 0.000 2.426 19 G HA2 0.127 4.087 3.960 0.000 0.000 0.214 19 G HA3 0.127 4.087 3.960 0.000 0.000 0.214 19 G C 0.312 175.250 174.900 0.063 0.000 1.156 19 G CA 0.087 45.218 45.100 0.051 0.000 0.802 19 G HN 0.219 nan 8.290 nan 0.000 0.534 20 L N 1.156 122.456 121.223 0.127 0.000 2.470 20 L HA 0.616 4.956 4.340 0.000 0.000 0.268 20 L C -1.250 175.718 176.870 0.163 0.000 0.964 20 L CA -0.797 54.154 54.840 0.186 0.000 0.839 20 L CB 1.958 44.198 42.059 0.301 0.000 1.276 20 L HN 0.385 nan 8.230 nan 0.000 0.403 21 N N 0.519 119.145 118.700 -0.123 0.000 3.277 21 N HA 0.332 5.072 4.740 0.000 0.000 0.278 21 N C 0.166 175.063 175.510 -1.023 0.000 1.544 21 N CA -0.269 52.284 53.050 -0.830 0.000 0.869 21 N CB 0.572 38.779 38.487 -0.466 0.000 1.584 21 N HN 0.276 nan 8.380 nan 0.000 0.564 22 S N -1.061 113.829 115.700 -1.349 0.000 2.442 22 S HA -0.129 4.341 4.470 0.000 0.000 0.236 22 S C 1.238 175.803 174.600 -0.058 0.000 1.007 22 S CA 1.280 59.081 58.200 -0.665 0.000 0.965 22 S CB -0.841 62.025 63.200 -0.558 0.000 0.773 22 S HN 0.487 nan 8.310 nan 0.000 0.504 23 S N 2.052 117.669 115.700 -0.138 0.000 2.423 23 S HA -0.028 4.442 4.470 0.000 0.000 0.231 23 S C 2.024 176.625 174.600 0.000 0.000 1.014 23 S CA 1.089 59.267 58.200 -0.037 0.000 0.965 23 S CB -0.504 62.651 63.200 -0.074 0.000 0.785 23 S HN 0.718 nan 8.310 nan 0.000 0.495 24 S N 0.835 116.529 115.700 -0.009 0.000 2.442 24 S HA 0.050 4.520 4.470 0.000 0.000 0.236 24 S C 0.407 174.886 174.600 -0.202 0.000 1.007 24 S CA 0.820 58.957 58.200 -0.105 0.000 0.965 24 S CB -0.203 62.906 63.200 -0.152 0.000 0.773 24 S HN 0.360 nan 8.310 nan 0.000 0.504 25 F N 1.615 121.514 119.950 -0.085 0.000 2.410 25 F HA 0.422 4.949 4.527 0.000 0.000 0.324 25 F C 0.889 176.669 175.800 -0.033 0.000 1.093 25 F CA -1.366 56.552 58.000 -0.137 0.000 1.028 25 F CB 0.383 39.199 39.000 -0.307 0.000 1.309 25 F HN -0.185 nan 8.300 nan 0.000 0.499 26 E N 0.156 120.474 120.200 0.197 0.000 2.425 26 E HA 0.091 4.441 4.350 0.000 0.000 0.258 26 E C 0.909 177.638 176.600 0.215 0.000 1.151 26 E CA 0.383 56.891 56.400 0.181 0.000 0.958 26 E CB 0.438 30.255 29.700 0.196 0.000 0.968 26 E HN 0.673 nan 8.360 nan 0.000 0.451 27 A N 2.020 124.931 122.820 0.151 0.000 1.933 27 A HA -0.196 4.124 4.320 0.000 0.000 0.218 27 A C 1.297 178.975 177.584 0.157 0.000 1.175 27 A CA 1.939 54.056 52.037 0.134 0.000 0.628 27 A CB -0.303 18.750 19.000 0.088 0.000 0.814 27 A HN 0.600 nan 8.150 nan 0.000 0.444 28 D N -1.940 118.557 120.400 0.162 0.000 2.339 28 D HA 0.027 4.667 4.640 0.000 0.000 0.217 28 D C 0.363 176.749 176.300 0.143 0.000 1.050 28 D CA -0.498 53.584 54.000 0.135 0.000 0.856 28 D CB -0.633 40.232 40.800 0.109 0.000 0.922 28 D HN 0.289 nan 8.370 nan 0.000 0.518 29 F N 1.483 121.439 119.950 0.011 0.000 2.578 29 F HA 0.188 4.715 4.527 0.000 0.000 0.376 29 F C 0.521 176.163 175.800 -0.264 0.000 1.085 29 F CA -0.244 57.679 58.000 -0.128 0.000 1.260 29 F CB 0.375 39.295 39.000 -0.133 0.000 1.095 29 F HN -0.202 nan 8.300 nan 0.000 0.573 30 I N 6.530 126.783 120.570 -0.529 0.000 2.365 30 I HA 0.164 4.334 4.170 0.000 0.000 0.291 30 I C -0.837 174.963 176.117 -0.527 0.000 1.004 30 I CA -0.276 60.822 61.300 -0.337 0.000 1.311 30 I CB 0.654 38.525 38.000 -0.215 0.000 1.401 30 I HN 0.371 nan 8.210 nan 0.000 0.491 31 F N 3.807 123.815 119.950 0.096 0.000 2.507 31 F HA 0.760 5.287 4.527 0.000 0.000 0.325 31 F C 0.598 176.464 175.800 0.109 0.000 1.116 31 F CA -0.406 57.695 58.000 0.168 0.000 0.930 31 F CB 1.992 41.056 39.000 0.107 0.000 1.146 31 F HN 0.500 nan 8.300 nan 0.000 0.447 32 G N 0.922 109.963 108.800 0.401 0.000 2.588 32 G HA2 0.622 4.582 3.960 0.000 0.000 0.281 32 G HA3 0.622 4.582 3.960 0.000 0.000 0.281 32 G C -1.677 173.438 174.900 0.359 0.000 1.223 32 G CA -0.137 45.152 45.100 0.315 0.000 0.871 32 G HN 0.872 nan 8.290 nan 0.000 0.492 33 V N -3.268 116.801 119.914 0.258 0.000 3.167 33 V HA 1.024 5.144 4.120 0.000 0.000 0.310 33 V C -0.090 176.131 176.094 0.212 0.000 1.207 33 V CA -0.419 61.990 62.300 0.181 0.000 1.059 33 V CB 1.136 33.049 31.823 0.150 0.000 1.079 33 V HN 2.292 nan 8.190 nan 0.000 0.446 34 A N 0.647 123.520 122.820 0.089 0.000 2.527 34 A HA 1.070 5.390 4.320 0.000 0.000 0.293 34 A C -0.287 177.167 177.584 -0.216 0.000 1.117 34 A CA 0.022 52.090 52.037 0.052 0.000 0.723 34 A CB 1.803 20.938 19.000 0.225 0.000 1.313 34 A HN 2.483 nan 8.150 nan 0.000 0.411 35 S N -0.655 114.960 115.700 -0.142 0.000 2.672 35 S HA 0.871 5.341 4.470 0.000 0.000 0.271 35 S C -0.564 174.046 174.600 0.018 0.000 1.171 35 S CA 0.123 58.152 58.200 -0.286 0.000 0.817 35 S CB 1.042 64.232 63.200 -0.016 0.000 1.150 35 S HN 2.343 nan 8.310 nan 0.000 0.478 36 S N -0.408 115.286 115.700 -0.011 0.000 2.588 36 S HA 0.813 5.283 4.470 0.000 0.000 0.275 36 S C 0.903 175.507 174.600 0.007 0.000 1.130 36 S CA -0.387 57.711 58.200 -0.169 0.000 0.855 36 S CB 1.122 63.730 63.200 -0.987 0.000 1.116 36 S HN 1.780 nan 8.310 nan 0.000 0.472 37 A N 1.042 123.929 122.820 0.113 0.000 1.873 37 A HA 0.015 4.335 4.320 0.000 0.000 0.215 37 A C 1.844 179.528 177.584 0.166 0.000 1.186 37 A CA 1.667 53.841 52.037 0.228 0.000 0.616 37 A CB -1.483 17.719 19.000 0.337 0.000 0.823 37 A HN 1.111 nan 8.150 nan 0.000 0.442 38 Y N 0.779 121.132 120.300 0.088 0.000 2.224 38 Y HA -0.213 4.337 4.550 0.000 0.000 0.289 38 Y C 2.401 178.286 175.900 -0.025 0.000 1.146 38 Y CA 2.228 60.370 58.100 0.069 0.000 1.182 38 Y CB -0.290 38.249 38.460 0.131 0.000 0.983 38 Y HN 0.456 nan 8.280 nan 0.000 0.524 39 Q N -0.403 119.328 119.800 -0.116 0.000 2.297 39 Q HA -0.024 4.316 4.340 0.000 0.000 0.204 39 Q C 1.898 177.871 176.000 -0.046 0.000 0.962 39 Q CA 1.653 57.367 55.803 -0.148 0.000 0.879 39 Q CB 0.062 28.698 28.738 -0.169 0.000 0.947 39 Q HN 0.791 nan 8.270 nan 0.000 0.462 40 I N -4.474 116.097 120.570 0.002 0.000 4.471 40 I HA 0.166 4.336 4.170 0.000 0.000 0.326 40 I C 1.389 177.570 176.117 0.107 0.000 1.300 40 I CA 0.036 61.390 61.300 0.091 0.000 1.237 40 I CB 0.299 38.375 38.000 0.126 0.000 1.195 40 I HN -0.112 nan 8.210 nan 0.000 0.427 41 E N 2.473 122.715 120.200 0.070 0.000 2.060 41 E HA 0.337 4.687 4.350 0.000 0.000 0.189 41 E C 0.965 177.590 176.600 0.042 0.000 0.974 41 E CA 0.803 57.260 56.400 0.095 0.000 0.808 41 E CB 0.047 29.796 29.700 0.081 0.000 0.768 41 E HN 0.614 nan 8.360 nan 0.000 0.453 42 G N 0.233 109.002 108.800 -0.051 0.000 2.619 42 G HA2 -0.219 3.741 3.960 0.000 0.000 0.686 42 G HA3 -0.219 3.741 3.960 0.000 0.000 0.686 42 G C 0.489 175.314 174.900 -0.125 0.000 1.256 42 G CA -0.155 44.894 45.100 -0.085 0.000 0.826 42 G HN 0.143 nan 8.290 nan 0.000 0.619 43 T N -0.828 113.655 114.554 -0.119 0.000 3.088 43 T HA 0.242 4.592 4.350 0.000 0.000 0.259 43 T C 1.754 176.326 174.700 -0.213 0.000 1.122 43 T CA 0.951 62.981 62.100 -0.117 0.000 1.095 43 T CB 0.089 68.917 68.868 -0.067 0.000 0.930 43 T HN 1.284 nan 8.240 nan 0.000 0.508 44 I N 2.056 122.447 120.570 -0.300 0.000 2.741 44 I HA 0.324 4.494 4.170 0.000 0.000 0.288 44 I C 1.379 177.048 176.117 -0.747 0.000 1.192 44 I CA 1.473 62.498 61.300 -0.459 0.000 1.426 44 I CB -0.145 37.569 38.000 -0.476 0.000 1.367 44 I HN 0.563 nan 8.210 nan 0.000 0.563 45 G N 5.940 114.425 108.800 -0.525 0.000 2.179 45 G HA2 -0.305 3.656 3.960 0.000 0.000 0.260 45 G HA3 -0.305 3.656 3.960 0.000 0.000 0.260 45 G C 0.172 174.920 174.900 -0.254 0.000 0.977 45 G CA 0.557 45.377 45.100 -0.467 0.000 0.641 45 G HN 0.938 nan 8.290 nan 0.000 0.533 46 R N -0.654 119.731 120.500 -0.192 0.000 2.888 46 R HA 0.768 5.108 4.340 0.000 0.000 0.264 46 R C 0.732 177.013 176.300 -0.031 0.000 1.045 46 R CA -0.417 55.648 56.100 -0.057 0.000 0.962 46 R CB 0.597 30.892 30.300 -0.007 0.000 1.210 46 R HN 0.590 nan 8.270 nan 0.000 0.479 47 G N 0.695 109.503 108.800 0.014 0.000 2.611 47 G HA2 0.360 4.320 3.960 0.000 0.000 0.273 47 G HA3 0.360 4.320 3.960 0.000 0.000 0.273 47 G C -0.515 174.385 174.900 0.001 0.000 1.305 47 G CA -1.047 44.052 45.100 -0.001 0.000 1.010 47 G HN 0.349 nan 8.290 nan 0.000 0.509 48 L N 0.529 121.738 121.223 -0.024 0.000 2.343 48 L HA 0.407 4.747 4.340 0.000 0.000 0.275 48 L C 0.036 176.896 176.870 -0.017 0.000 1.056 48 L CA -0.901 53.925 54.840 -0.023 0.000 0.804 48 L CB 1.756 43.772 42.059 -0.071 0.000 1.203 48 L HN 0.819 nan 8.230 nan 0.000 0.440 49 N N 0.833 119.553 118.700 0.034 0.000 2.701 49 N HA 0.348 5.088 4.740 0.000 0.000 0.290 49 N C 0.457 175.979 175.510 0.019 0.000 1.338 49 N CA -0.979 52.091 53.050 0.034 0.000 0.799 49 N CB 0.770 39.338 38.487 0.134 0.000 1.491 49 N HN 0.600 nan 8.380 nan 0.000 0.540 50 I N -4.443 116.126 120.570 -0.001 0.000 2.830 50 I HA 0.148 4.318 4.170 0.000 0.000 0.263 50 I C 0.638 176.654 176.117 -0.167 0.000 1.230 50 I CA 0.551 61.795 61.300 -0.093 0.000 1.480 50 I CB -0.245 37.669 38.000 -0.143 0.000 1.095 50 I HN 0.430 nan 8.210 nan 0.000 0.455 51 W N 2.318 123.553 121.300 -0.107 0.000 2.476 51 W HA -0.065 4.595 4.660 0.000 0.000 0.281 51 W C 2.249 178.689 176.519 -0.132 0.000 1.230 51 W CA 1.028 58.210 57.345 -0.273 0.000 1.287 51 W CB -0.074 28.849 29.460 -0.894 0.000 1.108 51 W HN 0.164 nan 8.180 nan 0.000 0.567 52 D N -0.637 119.876 120.400 0.187 0.000 2.097 52 D HA -0.149 4.491 4.640 0.000 0.000 0.195 52 D C 2.338 178.688 176.300 0.084 0.000 0.989 52 D CA 1.843 55.957 54.000 0.189 0.000 0.827 52 D CB -1.127 39.685 40.800 0.021 0.000 0.966 52 D HN 0.257 nan 8.370 nan 0.000 0.456 53 G N 0.544 109.347 108.800 0.006 0.000 2.459 53 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 53 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 53 G C 1.499 176.423 174.900 0.041 0.000 1.183 53 G CA 0.547 45.627 45.100 -0.033 0.000 0.776 53 G HN 0.248 nan 8.290 nan 0.000 0.552 54 F N 2.565 122.441 119.950 -0.123 0.000 2.146 54 F HA -0.094 4.433 4.527 0.000 0.000 0.298 54 F C 3.049 178.881 175.800 0.053 0.000 1.096 54 F CA 2.338 60.291 58.000 -0.078 0.000 1.275 54 F CB -0.601 38.138 39.000 -0.436 0.000 1.008 54 F HN 0.226 nan 8.300 nan 0.000 0.480 55 T N -2.795 111.842 114.554 0.139 0.000 2.915 55 T HA -0.187 4.163 4.350 0.000 0.000 0.269 55 T C 1.587 176.264 174.700 -0.039 0.000 1.071 55 T CA 1.892 64.047 62.100 0.091 0.000 1.132 55 T CB -0.780 68.281 68.868 0.322 0.000 0.878 55 T HN 0.402 nan 8.240 nan 0.000 0.479 56 H N 0.327 119.345 119.070 -0.086 0.000 2.465 56 H HA 0.381 4.937 4.556 0.000 0.000 0.289 56 H C 2.478 177.672 175.328 -0.224 0.000 1.022 56 H CA 0.913 56.892 56.048 -0.114 0.000 1.340 56 H CB -0.031 29.688 29.762 -0.072 0.000 1.437 56 H HN 0.292 nan 8.280 nan 0.000 0.539 57 R N -0.280 120.083 120.500 -0.228 0.000 2.100 57 R HA -0.024 4.316 4.340 0.000 0.000 0.220 57 R C -0.228 175.608 176.300 -0.774 0.000 1.091 57 R CA 0.868 56.642 56.100 -0.544 0.000 0.986 57 R CB 0.342 30.190 30.300 -0.754 0.000 0.888 57 R HN 0.228 nan 8.270 nan 0.000 0.444 58 Y N 0.045 120.129 120.300 -0.360 0.000 2.495 58 Y HA 0.351 4.901 4.550 0.000 0.000 0.362 58 Y C -1.937 173.682 175.900 -0.468 0.000 0.956 58 Y CA -2.710 55.126 58.100 -0.441 0.000 1.127 58 Y CB 1.468 39.522 38.460 -0.676 0.000 1.173 58 Y HN 0.108 nan 8.280 nan 0.000 0.639 59 P HA -0.168 nan 4.420 nan 0.000 0.220 59 P C 0.929 177.849 177.300 -0.633 0.000 1.148 59 P CA 1.602 64.428 63.100 -0.456 0.000 0.803 59 P CB 0.313 31.709 31.700 -0.506 0.000 0.782 60 D N -0.214 119.860 120.400 -0.544 0.000 2.378 60 D HA -0.125 4.515 4.640 0.000 0.000 0.227 60 D C 1.279 177.531 176.300 -0.081 0.000 1.012 60 D CA 0.871 54.693 54.000 -0.296 0.000 0.905 60 D CB -0.585 40.178 40.800 -0.060 0.000 0.895 60 D HN 0.193 nan 8.370 nan 0.000 0.532 61 K N -0.243 120.084 120.400 -0.121 0.000 2.353 61 K HA 0.086 4.406 4.320 0.000 0.000 0.195 61 K C 1.844 178.539 176.600 0.159 0.000 1.031 61 K CA 0.500 56.782 56.287 -0.009 0.000 1.079 61 K CB 0.487 32.889 32.500 -0.163 0.000 0.857 61 K HN 0.171 nan 8.250 nan 0.000 0.535 62 S N -0.025 115.740 115.700 0.108 0.000 2.436 62 S HA 0.083 4.553 4.470 0.000 0.000 0.228 62 S C 0.903 175.750 174.600 0.412 0.000 1.014 62 S CA 0.491 58.919 58.200 0.380 0.000 0.950 62 S CB 0.239 63.595 63.200 0.260 0.000 0.784 62 S HN 0.243 nan 8.310 nan 0.000 0.504 63 G N 0.146 109.101 108.800 0.258 0.000 2.340 63 G HA2 0.412 4.372 3.960 0.000 0.000 0.298 63 G HA3 0.412 4.372 3.960 0.000 0.000 0.298 63 G C -3.054 171.981 174.900 0.224 0.000 1.498 63 G CA -0.575 44.653 45.100 0.212 0.000 0.847 63 G HN -0.101 nan 8.290 nan 0.000 0.594 64 P HA 0.033 nan 4.420 nan 0.000 0.220 64 P C 1.076 178.470 177.300 0.157 0.000 1.148 64 P CA 1.613 64.812 63.100 0.164 0.000 0.803 64 P CB 0.186 31.945 31.700 0.098 0.000 0.782 65 D N -2.768 117.722 120.400 0.150 0.000 2.339 65 D HA -0.090 4.550 4.640 0.000 0.000 0.217 65 D C 0.180 176.581 176.300 0.168 0.000 1.050 65 D CA -0.175 53.883 54.000 0.097 0.000 0.856 65 D CB -1.498 39.374 40.800 0.122 0.000 0.922 65 D HN 0.324 nan 8.370 nan 0.000 0.518 66 H N -1.651 117.471 119.070 0.088 0.000 2.921 66 H HA -0.117 4.439 4.556 0.000 0.000 0.281 66 H C 0.924 176.315 175.328 0.105 0.000 1.165 66 H CA -0.134 55.958 56.048 0.073 0.000 1.151 66 H CB -1.393 28.380 29.762 0.020 0.000 1.311 66 H HN 0.399 nan 8.280 nan 0.000 0.361 67 G N 0.671 109.653 108.800 0.303 0.000 2.606 67 G HA2 0.350 4.311 3.960 0.000 0.000 0.252 67 G HA3 0.350 4.311 3.960 0.000 0.000 0.252 67 G C 0.335 175.405 174.900 0.284 0.000 1.206 67 G CA 0.273 45.592 45.100 0.365 0.000 0.861 67 G HN 0.510 nan 8.290 nan 0.000 0.561 68 N N -2.256 116.545 118.700 0.168 0.000 3.344 68 N HA 0.476 5.216 4.740 0.000 0.000 0.296 68 N C 0.486 175.781 175.510 -0.357 0.000 1.571 68 N CA -0.197 52.675 53.050 -0.297 0.000 0.844 68 N CB 0.696 39.173 38.487 -0.017 0.000 1.718 68 N HN 0.504 nan 8.380 nan 0.000 0.589 69 G N -1.335 107.115 108.800 -0.584 0.000 3.327 69 G HA2 0.035 3.995 3.960 0.000 0.000 0.240 69 G HA3 0.035 3.995 3.960 0.000 0.000 0.240 69 G C -0.097 174.606 174.900 -0.328 0.000 1.222 69 G CA -0.121 44.537 45.100 -0.736 0.000 0.871 69 G HN 0.536 nan 8.290 nan 0.000 0.525 70 D N 0.907 121.262 120.400 -0.076 0.000 2.104 70 D HA -0.117 4.523 4.640 0.000 0.000 0.194 70 D C 2.715 178.992 176.300 -0.037 0.000 0.994 70 D CA 2.152 56.148 54.000 -0.006 0.000 0.830 70 D CB 0.141 40.982 40.800 0.069 0.000 0.959 70 D HN 0.472 nan 8.370 nan 0.000 0.452 71 T N -5.084 109.458 114.554 -0.020 0.000 3.028 71 T HA 0.125 4.475 4.350 0.000 0.000 0.250 71 T C 1.295 176.026 174.700 0.051 0.000 0.979 71 T CA 0.896 62.999 62.100 0.005 0.000 1.004 71 T CB 0.280 69.156 68.868 0.014 0.000 1.120 71 T HN 0.115 nan 8.240 nan 0.000 0.482 72 T N 1.615 116.201 114.554 0.052 0.000 7.522 72 T HA -0.388 3.962 4.350 0.000 0.000 0.228 72 T C 1.349 176.259 174.700 0.350 0.000 1.594 72 T CA 3.030 65.228 62.100 0.163 0.000 1.339 72 T CB -1.632 67.356 68.868 0.201 0.000 1.582 72 T HN 1.260 nan 8.240 nan 0.000 0.380 73 C N 1.177 120.745 119.300 0.448 0.000 2.578 73 C HA 0.502 4.962 4.460 0.000 0.000 0.285 73 C C 0.987 176.166 174.990 0.315 0.000 1.297 73 C CA 0.604 59.877 59.018 0.425 0.000 1.690 73 C CB -1.705 26.240 27.740 0.342 0.000 1.773 73 C HN 1.006 nan 8.230 nan 0.000 0.594 74 D N 1.291 121.836 120.400 0.242 0.000 2.697 74 D HA -0.167 4.473 4.640 0.000 0.000 0.235 74 D C 1.071 177.470 176.300 0.165 0.000 1.167 74 D CA 0.962 55.066 54.000 0.172 0.000 0.656 74 D CB -1.311 39.578 40.800 0.149 0.000 1.025 74 D HN 0.599 nan 8.370 nan 0.000 0.419 75 S N -0.668 115.159 115.700 0.211 0.000 2.515 75 S HA -0.069 4.401 4.470 0.000 0.000 0.231 75 S C 1.389 176.169 174.600 0.300 0.000 0.987 75 S CA 0.363 58.715 58.200 0.255 0.000 0.936 75 S CB -0.156 63.206 63.200 0.270 0.000 0.766 75 S HN 0.553 nan 8.310 nan 0.000 0.528 76 F N 2.861 122.829 119.950 0.028 0.000 2.069 76 F HA -0.192 4.336 4.527 0.000 0.000 0.298 76 F C 2.341 178.215 175.800 0.123 0.000 1.113 76 F CA 1.693 59.626 58.000 -0.112 0.000 1.214 76 F CB -0.668 38.165 39.000 -0.279 0.000 0.978 76 F HN 0.111 nan 8.300 nan 0.000 0.474 77 S N -1.431 114.147 115.700 -0.203 0.000 2.377 77 S HA -0.117 4.353 4.470 0.000 0.000 0.223 77 S C 0.858 175.159 174.600 -0.498 0.000 1.030 77 S CA 0.823 58.722 58.200 -0.503 0.000 0.970 77 S CB -0.451 62.200 63.200 -0.916 0.000 0.830 77 S HN 0.428 nan 8.310 nan 0.000 0.473 78 Y N 1.990 122.295 120.300 0.009 0.000 2.756 78 Y HA 0.218 4.768 4.550 0.000 0.000 0.300 78 Y C 1.379 177.201 175.900 -0.130 0.000 1.113 78 Y CA -1.867 56.159 58.100 -0.124 0.000 1.291 78 Y CB -1.220 37.196 38.460 -0.073 0.000 1.175 78 Y HN 0.472 nan 8.280 nan 0.000 0.534 79 W N -0.235 121.071 121.300 0.010 0.000 2.350 79 W HA -0.234 4.426 4.660 0.000 0.000 0.289 79 W C 1.388 177.858 176.519 -0.082 0.000 1.215 79 W CA 1.423 58.739 57.345 -0.048 0.000 1.236 79 W CB -0.839 28.518 29.460 -0.171 0.000 1.130 79 W HN 0.245 nan 8.180 nan 0.000 0.541 80 Q N 1.711 120.951 119.800 -0.933 0.000 2.167 80 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 80 Q C 2.073 177.863 176.000 -0.349 0.000 0.970 80 Q CA 1.953 57.264 55.803 -0.819 0.000 0.855 80 Q CB -0.296 27.793 28.738 -1.083 0.000 0.911 80 Q HN -0.054 nan 8.270 nan 0.000 0.438 81 K N 0.673 120.925 120.400 -0.246 0.000 2.148 81 K HA -0.096 4.224 4.320 0.000 0.000 0.204 81 K C 1.571 178.093 176.600 -0.130 0.000 1.050 81 K CA 1.248 57.439 56.287 -0.160 0.000 0.942 81 K CB -0.342 32.079 32.500 -0.132 0.000 0.724 81 K HN 0.352 nan 8.250 nan 0.000 0.446 82 D N 1.023 121.365 120.400 -0.096 0.000 2.097 82 D HA -0.094 4.546 4.640 0.000 0.000 0.195 82 D C 2.077 178.248 176.300 -0.216 0.000 0.989 82 D CA 0.831 54.748 54.000 -0.138 0.000 0.827 82 D CB -0.254 40.493 40.800 -0.088 0.000 0.966 82 D HN 0.151 nan 8.370 nan 0.000 0.456 83 I N 1.286 121.761 120.570 -0.158 0.000 2.208 83 I HA -0.258 3.912 4.170 0.000 0.000 0.245 83 I C 1.773 177.812 176.117 -0.129 0.000 1.097 83 I CA 1.118 62.337 61.300 -0.135 0.000 1.363 83 I CB -0.200 37.773 38.000 -0.046 0.000 1.051 83 I HN -0.112 nan 8.210 nan 0.000 0.413 84 D N 0.493 120.813 120.400 -0.133 0.000 2.144 84 D HA -0.136 4.504 4.640 0.000 0.000 0.199 84 D C 2.350 178.589 176.300 -0.103 0.000 0.984 84 D CA 1.045 54.976 54.000 -0.114 0.000 0.834 84 D CB -0.347 40.379 40.800 -0.123 0.000 0.955 84 D HN 0.150 nan 8.370 nan 0.000 0.465 85 V N 0.851 120.696 119.914 -0.116 0.000 2.295 85 V HA -0.214 3.906 4.120 0.000 0.000 0.246 85 V C 2.617 178.658 176.094 -0.089 0.000 1.049 85 V CA 1.148 63.390 62.300 -0.096 0.000 1.024 85 V CB -0.441 31.320 31.823 -0.104 0.000 0.648 85 V HN 0.180 nan 8.190 nan 0.000 0.447 86 L N 0.008 121.152 121.223 -0.131 0.000 2.042 86 L HA -0.218 4.122 4.340 0.000 0.000 0.210 86 L C 2.385 179.218 176.870 -0.062 0.000 1.076 86 L CA 1.997 56.774 54.840 -0.106 0.000 0.749 86 L CB -0.638 41.321 42.059 -0.167 0.000 0.893 86 L HN 0.396 nan 8.230 nan 0.000 0.432 87 D N -0.014 120.346 120.400 -0.067 0.000 2.097 87 D HA -0.246 4.394 4.640 0.000 0.000 0.195 87 D C 2.105 178.375 176.300 -0.049 0.000 0.989 87 D CA 1.308 55.279 54.000 -0.049 0.000 0.827 87 D CB 0.115 40.883 40.800 -0.053 0.000 0.966 87 D HN 0.285 nan 8.370 nan 0.000 0.456 88 E N -0.456 119.711 120.200 -0.054 0.000 2.077 88 E HA -0.136 4.214 4.350 0.000 0.000 0.193 88 E C 2.237 178.807 176.600 -0.050 0.000 0.989 88 E CA 0.647 57.017 56.400 -0.049 0.000 0.800 88 E CB -0.121 29.551 29.700 -0.047 0.000 0.746 88 E HN 0.335 nan 8.360 nan 0.000 0.452 89 L N 0.556 121.750 121.223 -0.048 0.000 2.362 89 L HA -0.096 4.244 4.340 0.000 0.000 0.219 89 L C 0.939 177.747 176.870 -0.103 0.000 1.134 89 L CA 0.285 55.084 54.840 -0.069 0.000 0.807 89 L CB -0.340 41.700 42.059 -0.032 0.000 0.927 89 L HN 0.276 nan 8.230 nan 0.000 0.447 90 N N 0.044 118.703 118.700 -0.068 0.000 2.735 90 N HA -0.175 4.565 4.740 0.000 0.000 0.248 90 N C 0.094 175.579 175.510 -0.041 0.000 1.083 90 N CA 0.695 53.712 53.050 -0.055 0.000 0.703 90 N CB -0.725 37.721 38.487 -0.069 0.000 1.005 90 N HN 0.381 nan 8.380 nan 0.000 0.550 91 A N -0.630 122.174 122.820 -0.027 0.000 2.483 91 A HA 0.364 4.684 4.320 0.000 0.000 0.238 91 A C 1.523 179.142 177.584 0.059 0.000 1.070 91 A CA 0.819 52.869 52.037 0.023 0.000 0.770 91 A CB 0.157 19.191 19.000 0.057 0.000 1.008 91 A HN 0.614 nan 8.150 nan 0.000 0.497 92 T N -0.436 114.176 114.554 0.097 0.000 3.023 92 T HA 0.469 4.819 4.350 0.000 0.000 0.253 92 T C 0.654 175.427 174.700 0.122 0.000 1.038 92 T CA 0.407 62.564 62.100 0.096 0.000 0.962 92 T CB 0.136 69.059 68.868 0.092 0.000 1.018 92 T HN 1.282 nan 8.240 nan 0.000 0.521 93 G N 0.138 109.024 108.800 0.143 0.000 2.620 93 G HA2 0.551 4.511 3.960 0.000 0.000 0.301 93 G HA3 0.551 4.511 3.960 0.000 0.000 0.301 93 G C -2.358 172.706 174.900 0.274 0.000 1.347 93 G CA -0.868 44.353 45.100 0.202 0.000 0.971 93 G HN 0.182 nan 8.290 nan 0.000 0.488 94 Y N 1.415 121.824 120.300 0.182 0.000 2.361 94 Y HA 0.629 5.179 4.550 0.000 0.000 0.328 94 Y C -0.356 175.681 175.900 0.228 0.000 1.044 94 Y CA -1.529 56.674 58.100 0.171 0.000 1.085 94 Y CB 1.704 40.280 38.460 0.193 0.000 1.194 94 Y HN 0.647 nan 8.280 nan 0.000 0.438 95 R N 7.082 127.507 120.500 -0.126 0.000 2.265 95 R HA 0.614 4.954 4.340 0.000 0.000 0.319 95 R C -1.611 174.387 176.300 -0.504 0.000 1.006 95 R CA -0.294 55.661 56.100 -0.241 0.000 0.880 95 R CB 0.413 30.650 30.300 -0.105 0.000 1.077 95 R HN 0.580 nan 8.270 nan 0.000 0.454 96 F N 0.790 120.421 119.950 -0.530 0.000 2.650 96 F HA 0.642 5.169 4.527 0.000 0.000 0.320 96 F C -1.043 174.677 175.800 -0.134 0.000 1.091 96 F CA -1.148 56.596 58.000 -0.426 0.000 0.962 96 F CB 1.384 40.075 39.000 -0.514 0.000 1.363 96 F HN 0.439 nan 8.300 nan 0.000 0.482 97 S N 1.013 116.828 115.700 0.191 0.000 2.578 97 S HA 0.746 5.216 4.470 0.000 0.000 0.301 97 S C -0.892 173.861 174.600 0.255 0.000 1.091 97 S CA -0.751 57.526 58.200 0.127 0.000 1.032 97 S CB 1.408 64.710 63.200 0.170 0.000 1.064 97 S HN 0.725 nan 8.310 nan 0.000 0.508 98 I N 2.170 122.788 120.570 0.080 0.000 2.342 98 I HA 0.393 4.563 4.170 0.000 0.000 0.291 98 I C 0.638 176.921 176.117 0.278 0.000 1.010 98 I CA -0.614 60.614 61.300 -0.121 0.000 1.308 98 I CB 1.281 39.110 38.000 -0.286 0.000 1.400 98 I HN 0.900 nan 8.210 nan 0.000 0.488 99 A N 7.327 130.394 122.820 0.412 0.000 2.395 99 A HA -0.008 4.312 4.320 0.000 0.000 0.286 99 A C 0.767 178.653 177.584 0.502 0.000 1.193 99 A CA -0.362 51.953 52.037 0.464 0.000 0.852 99 A CB -0.097 19.164 19.000 0.435 0.000 1.118 99 A HN 0.976 nan 8.150 nan 0.000 0.524 100 W N 2.956 124.370 121.300 0.191 0.000 2.305 100 W HA -0.202 4.458 4.660 0.000 0.000 0.308 100 W C 1.720 178.256 176.519 0.027 0.000 1.226 100 W CA 2.219 59.467 57.345 -0.162 0.000 1.253 100 W CB -0.860 28.320 29.460 -0.466 0.000 1.146 100 W HN 0.594 nan 8.180 nan 0.000 0.507 101 S N -0.162 115.732 115.700 0.324 0.000 2.469 101 S HA -0.173 4.297 4.470 0.000 0.000 0.238 101 S C 1.865 176.595 174.600 0.216 0.000 0.998 101 S CA 1.371 59.684 58.200 0.188 0.000 0.957 101 S CB -0.263 63.010 63.200 0.121 0.000 0.764 101 S HN 0.351 nan 8.310 nan 0.000 0.514 102 R N 1.032 121.712 120.500 0.301 0.000 2.127 102 R HA 0.130 4.470 4.340 0.000 0.000 0.217 102 R C 2.099 178.598 176.300 0.332 0.000 1.074 102 R CA 1.036 57.304 56.100 0.280 0.000 0.991 102 R CB -0.057 30.462 30.300 0.365 0.000 0.895 102 R HN 0.605 nan 8.270 nan 0.000 0.450 103 I N -2.964 117.858 120.570 0.419 0.000 3.708 103 I HA 0.291 4.461 4.170 0.000 0.000 0.302 103 I C 0.215 176.525 176.117 0.321 0.000 1.255 103 I CA 0.209 61.745 61.300 0.393 0.000 1.362 103 I CB 0.691 38.977 38.000 0.477 0.000 1.100 103 I HN -0.120 nan 8.210 nan 0.000 0.434 104 I N 2.201 122.987 120.570 0.360 0.000 2.782 104 I HA 0.328 4.498 4.170 0.000 0.000 0.279 104 I C -2.109 174.158 176.117 0.249 0.000 1.247 104 I CA -1.430 60.058 61.300 0.313 0.000 1.062 104 I CB 1.217 39.454 38.000 0.396 0.000 1.421 104 I HN -0.203 nan 8.210 nan 0.000 0.558 105 P HA -0.101 nan 4.420 nan 0.000 0.218 105 P C 1.115 178.434 177.300 0.032 0.000 1.148 105 P CA 1.373 64.524 63.100 0.084 0.000 0.822 105 P CB 0.096 31.835 31.700 0.064 0.000 0.784 106 R N -1.556 118.976 120.500 0.054 0.000 2.356 106 R HA 0.269 4.609 4.340 0.000 0.000 0.234 106 R C 1.551 177.860 176.300 0.016 0.000 0.929 106 R CA 0.564 56.676 56.100 0.021 0.000 1.084 106 R CB -0.452 29.870 30.300 0.036 0.000 1.105 106 R HN 0.166 nan 8.270 nan 0.000 0.515 107 G N 1.789 110.604 108.800 0.026 0.000 4.148 107 G HA2 -0.414 3.546 3.960 0.000 0.000 0.221 107 G HA3 -0.414 3.546 3.960 0.000 0.000 0.221 107 G C 0.205 175.280 174.900 0.291 0.000 1.373 107 G CA 0.387 45.476 45.100 -0.017 0.000 0.940 107 G HN 0.373 nan 8.290 nan 0.000 0.610 108 K N 1.620 122.134 120.400 0.190 0.000 2.258 108 K HA 0.514 4.834 4.320 0.000 0.000 0.284 108 K C 1.572 178.282 176.600 0.183 0.000 1.051 108 K CA -0.129 56.282 56.287 0.207 0.000 0.923 108 K CB 0.769 33.352 32.500 0.138 0.000 1.046 108 K HN 0.360 nan 8.250 nan 0.000 0.474 109 R N 2.098 122.707 120.500 0.181 0.000 2.120 109 R HA -0.128 4.212 4.340 0.000 0.000 0.234 109 R C 1.530 177.887 176.300 0.094 0.000 1.123 109 R CA 2.124 58.306 56.100 0.136 0.000 0.975 109 R CB -0.115 30.241 30.300 0.094 0.000 0.866 109 R HN 0.809 nan 8.270 nan 0.000 0.446 110 S N -0.028 115.720 115.700 0.080 0.000 2.469 110 S HA -0.087 4.383 4.470 0.000 0.000 0.238 110 S C 1.564 176.199 174.600 0.059 0.000 0.998 110 S CA 0.638 58.874 58.200 0.059 0.000 0.957 110 S CB -0.204 63.025 63.200 0.049 0.000 0.764 110 S HN 0.411 nan 8.310 nan 0.000 0.514 111 R N 1.446 121.988 120.500 0.070 0.000 2.313 111 R HA 0.355 4.695 4.340 0.000 0.000 0.199 111 R C 1.022 177.360 176.300 0.064 0.000 0.958 111 R CA 0.386 56.523 56.100 0.061 0.000 1.047 111 R CB -0.272 30.065 30.300 0.062 0.000 0.955 111 R HN 0.566 nan 8.270 nan 0.000 0.481 112 G N 0.261 109.105 108.800 0.074 0.000 2.539 112 G HA2 -0.080 3.880 3.960 0.000 0.000 0.686 112 G HA3 -0.080 3.880 3.960 0.000 0.000 0.686 112 G C -0.799 174.159 174.900 0.096 0.000 1.258 112 G CA -0.548 44.596 45.100 0.073 0.000 0.846 112 G HN 0.171 nan 8.290 nan 0.000 0.647 113 V N -1.438 118.534 119.914 0.096 0.000 2.815 113 V HA 0.877 4.997 4.120 0.000 0.000 0.314 113 V C 0.195 176.361 176.094 0.120 0.000 1.064 113 V CA -1.107 61.265 62.300 0.121 0.000 0.952 113 V CB 2.120 34.010 31.823 0.112 0.000 1.020 113 V HN 1.236 nan 8.190 nan 0.000 0.439 114 N N 2.605 121.394 118.700 0.148 0.000 2.482 114 N HA 0.163 4.903 4.740 0.000 0.000 0.242 114 N C 0.797 176.402 175.510 0.159 0.000 1.100 114 N CA 0.008 53.142 53.050 0.141 0.000 0.946 114 N CB 1.270 39.847 38.487 0.150 0.000 1.227 114 N HN 0.892 nan 8.380 nan 0.000 0.508 115 Q N 3.010 122.890 119.800 0.133 0.000 2.135 115 Q HA -0.102 4.238 4.340 0.000 0.000 0.204 115 Q C 0.989 177.087 176.000 0.165 0.000 0.981 115 Q CA 1.703 57.592 55.803 0.142 0.000 0.856 115 Q CB 0.173 28.979 28.738 0.113 0.000 0.902 115 Q HN 0.392 nan 8.270 nan 0.000 0.425 116 K N -0.867 119.623 120.400 0.149 0.000 2.097 116 K HA -0.009 4.311 4.320 0.000 0.000 0.206 116 K C 1.968 178.690 176.600 0.203 0.000 1.049 116 K CA 1.224 57.608 56.287 0.162 0.000 0.933 116 K CB -0.853 31.732 32.500 0.143 0.000 0.717 116 K HN 0.387 nan 8.250 nan 0.000 0.442 117 G N 1.164 110.091 108.800 0.212 0.000 2.408 117 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 117 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 117 G C 1.681 176.800 174.900 0.365 0.000 1.150 117 G CA 0.346 45.604 45.100 0.264 0.000 0.776 117 G HN 0.210 nan 8.290 nan 0.000 0.542 118 I N 0.934 121.716 120.570 0.353 0.000 2.315 118 I HA -0.109 4.061 4.170 0.000 0.000 0.248 118 I C 2.114 178.405 176.117 0.291 0.000 1.117 118 I CA 0.968 62.509 61.300 0.401 0.000 1.404 118 I CB -0.084 38.060 38.000 0.240 0.000 1.071 118 I HN 0.039 nan 8.210 nan 0.000 0.419 119 D N 0.047 120.601 120.400 0.257 0.000 2.117 119 D HA -0.219 4.421 4.640 0.000 0.000 0.198 119 D C 1.873 178.188 176.300 0.026 0.000 0.982 119 D CA 1.145 55.276 54.000 0.218 0.000 0.828 119 D CB -0.418 40.483 40.800 0.168 0.000 0.967 119 D HN 0.323 nan 8.370 nan 0.000 0.464 120 Y N 0.945 121.151 120.300 -0.157 0.000 2.069 120 Y HA -0.365 4.185 4.550 0.000 0.000 0.278 120 Y C 2.074 177.602 175.900 -0.621 0.000 1.175 120 Y CA 1.727 59.546 58.100 -0.468 0.000 1.134 120 Y CB -0.740 37.449 38.460 -0.450 0.000 0.965 120 Y HN -0.034 nan 8.280 nan 0.000 0.498 121 Y N -0.490 119.622 120.300 -0.314 0.000 2.242 121 Y HA -0.219 4.331 4.550 0.000 0.000 0.291 121 Y C 2.808 178.440 175.900 -0.447 0.000 1.137 121 Y CA 1.669 59.441 58.100 -0.546 0.000 1.181 121 Y CB -0.969 37.111 38.460 -0.633 0.000 0.989 121 Y HN 0.271 nan 8.280 nan 0.000 0.527 122 H N -0.934 118.173 119.070 0.060 0.000 2.319 122 H HA -0.144 4.412 4.556 0.000 0.000 0.297 122 H C 2.446 177.672 175.328 -0.170 0.000 1.097 122 H CA 1.383 57.479 56.048 0.081 0.000 1.285 122 H CB -0.929 28.922 29.762 0.149 0.000 1.368 122 H HN 0.435 nan 8.280 nan 0.000 0.495 123 G N 0.764 109.390 108.800 -0.289 0.000 2.418 123 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 123 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 123 G C 1.910 176.374 174.900 -0.727 0.000 1.158 123 G CA 0.789 45.568 45.100 -0.534 0.000 0.771 123 G HN 0.330 nan 8.290 nan 0.000 0.545 124 L N 0.753 121.388 121.223 -0.980 0.000 1.994 124 L HA 0.060 4.400 4.340 0.000 0.000 0.208 124 L C 2.679 179.395 176.870 -0.258 0.000 1.071 124 L CA 1.485 55.904 54.840 -0.701 0.000 0.745 124 L CB -0.513 41.010 42.059 -0.894 0.000 0.892 124 L HN 0.257 nan 8.230 nan 0.000 0.431 125 I N -0.170 120.293 120.570 -0.178 0.000 2.226 125 I HA -0.295 3.875 4.170 0.000 0.000 0.245 125 I C 2.095 178.242 176.117 0.049 0.000 1.100 125 I CA 1.357 62.669 61.300 0.021 0.000 1.374 125 I CB -0.597 37.458 38.000 0.092 0.000 1.057 125 I HN 0.326 nan 8.210 nan 0.000 0.413 126 D N 1.003 121.423 120.400 0.033 0.000 2.087 126 D HA -0.174 4.466 4.640 0.000 0.000 0.192 126 D C 2.214 178.556 176.300 0.070 0.000 0.993 126 D CA 1.798 55.831 54.000 0.056 0.000 0.828 126 D CB -0.869 39.959 40.800 0.047 0.000 0.968 126 D HN 0.403 nan 8.370 nan 0.000 0.448 127 G N 0.741 109.596 108.800 0.093 0.000 2.469 127 G HA2 -0.223 3.737 3.960 0.000 0.000 0.220 127 G HA3 -0.223 3.737 3.960 0.000 0.000 0.220 127 G C 1.839 176.803 174.900 0.106 0.000 1.136 127 G CA 0.558 45.752 45.100 0.157 0.000 0.759 127 G HN 0.244 nan 8.290 nan 0.000 0.562 128 L N -0.066 121.214 121.223 0.095 0.000 2.027 128 L HA 0.009 4.349 4.340 0.000 0.000 0.206 128 L C 2.849 179.768 176.870 0.082 0.000 1.074 128 L CA 0.764 55.663 54.840 0.098 0.000 0.745 128 L CB -0.369 41.784 42.059 0.157 0.000 0.898 128 L HN 0.163 nan 8.230 nan 0.000 0.433 129 I N -0.308 120.309 120.570 0.077 0.000 2.286 129 I HA -0.265 3.905 4.170 0.000 0.000 0.248 129 I C 2.434 178.581 176.117 0.051 0.000 1.115 129 I CA 0.955 62.292 61.300 0.061 0.000 1.392 129 I CB -0.270 37.765 38.000 0.058 0.000 1.065 129 I HN 0.219 nan 8.210 nan 0.000 0.418 130 K N 0.761 121.193 120.400 0.053 0.000 2.147 130 K HA -0.114 4.206 4.320 0.000 0.000 0.205 130 K C 1.491 178.111 176.600 0.033 0.000 1.049 130 K CA 1.155 57.468 56.287 0.042 0.000 0.936 130 K CB -0.238 32.290 32.500 0.046 0.000 0.722 130 K HN 0.210 nan 8.250 nan 0.000 0.446 131 K N -0.214 120.208 120.400 0.036 0.000 2.437 131 K HA 0.130 4.450 4.320 0.000 0.000 0.205 131 K C 0.446 177.063 176.600 0.028 0.000 1.026 131 K CA 0.319 56.620 56.287 0.023 0.000 1.153 131 K CB 0.453 32.961 32.500 0.014 0.000 0.863 131 K HN 0.322 nan 8.250 nan 0.000 0.502 132 G N 1.955 110.777 108.800 0.037 0.000 2.176 132 G HA2 -0.263 3.697 3.960 0.000 0.000 0.252 132 G HA3 -0.263 3.697 3.960 0.000 0.000 0.252 132 G C 0.030 174.963 174.900 0.054 0.000 1.024 132 G CA 0.034 45.159 45.100 0.040 0.000 0.755 132 G HN 0.322 nan 8.290 nan 0.000 0.507 133 I N 1.182 121.792 120.570 0.068 0.000 2.336 133 I HA 0.300 4.470 4.170 0.000 0.000 0.292 133 I C 0.563 176.746 176.117 0.109 0.000 0.991 133 I CA -0.608 60.751 61.300 0.099 0.000 1.227 133 I CB 1.712 39.780 38.000 0.113 0.000 1.366 133 I HN -0.013 nan 8.210 nan 0.000 0.466 134 T N 8.025 122.645 114.554 0.110 0.000 2.727 134 T HA 0.214 4.564 4.350 0.000 0.000 0.295 134 T C -2.371 172.371 174.700 0.070 0.000 0.915 134 T CA -1.066 61.061 62.100 0.046 0.000 1.066 134 T CB 0.246 69.112 68.868 -0.005 0.000 0.891 134 T HN 0.265 nan 8.240 nan 0.000 0.516 135 P HA 0.264 nan 4.420 nan 0.000 0.271 135 P C -0.838 176.245 177.300 -0.362 0.000 1.216 135 P CA -0.309 62.777 63.100 -0.023 0.000 0.771 135 P CB 0.257 31.925 31.700 -0.053 0.000 0.864 136 F N 2.002 121.743 119.950 -0.349 0.000 2.445 136 F HA 0.302 4.829 4.527 0.000 0.000 0.348 136 F C -0.137 175.332 175.800 -0.552 0.000 1.125 136 F CA -0.696 57.069 58.000 -0.391 0.000 0.983 136 F CB 1.295 40.086 39.000 -0.349 0.000 1.198 136 F HN -0.051 nan 8.300 nan 0.000 0.436 137 V N 2.724 122.310 119.914 -0.547 0.000 2.384 137 V HA 0.384 4.504 4.120 0.000 0.000 0.287 137 V C -0.014 175.956 176.094 -0.207 0.000 1.020 137 V CA -0.724 61.137 62.300 -0.732 0.000 0.850 137 V CB 1.748 32.937 31.823 -1.057 0.000 0.987 137 V HN 0.691 nan 8.190 nan 0.000 0.436 138 T N 6.386 120.857 114.554 -0.139 0.000 2.749 138 T HA 0.361 4.711 4.350 0.000 0.000 0.295 138 T C 1.322 176.136 174.700 0.190 0.000 0.936 138 T CA -0.239 61.920 62.100 0.100 0.000 1.060 138 T CB 1.062 70.013 68.868 0.139 0.000 0.904 138 T HN 0.423 nan 8.240 nan 0.000 0.500 139 L N 1.963 123.370 121.223 0.306 0.000 2.056 139 L HA 0.161 4.501 4.340 0.000 0.000 0.207 139 L C 0.606 177.896 176.870 0.701 0.000 1.078 139 L CA 1.138 56.197 54.840 0.365 0.000 0.749 139 L CB -0.001 42.181 42.059 0.205 0.000 0.901 139 L HN 0.529 nan 8.230 nan 0.000 0.433 140 F N -0.850 119.383 119.950 0.471 0.000 2.610 140 F HA 0.286 4.813 4.527 0.000 0.000 0.355 140 F C -0.018 175.963 175.800 0.301 0.000 1.140 140 F CA -0.942 57.348 58.000 0.483 0.000 1.037 140 F CB 0.481 39.754 39.000 0.454 0.000 1.287 140 F HN -0.095 nan 8.300 nan 0.000 0.457 141 H N 6.383 125.297 119.070 -0.260 0.000 2.499 141 H HA 0.214 4.770 4.556 0.000 0.000 0.262 141 H C -0.422 174.553 175.328 -0.588 0.000 1.363 141 H CA 0.263 56.021 56.048 -0.483 0.000 1.072 141 H CB 0.009 29.622 29.762 -0.248 0.000 1.602 141 H HN 0.739 nan 8.280 nan 0.000 0.526 142 W N -0.180 120.411 121.300 -1.182 0.000 1.131 142 W HA -0.248 4.412 4.660 0.000 0.000 0.231 142 W C -0.119 176.250 176.519 -0.250 0.000 0.958 142 W CA 0.833 57.688 57.345 -0.818 0.000 0.376 142 W CB -1.970 27.304 29.460 -0.311 0.000 1.959 142 W HN 0.596 nan 8.180 nan 0.000 1.226 143 D N 1.668 122.112 120.400 0.073 0.000 2.713 143 D HA 0.351 4.991 4.640 0.000 0.000 0.229 143 D C 0.260 176.808 176.300 0.415 0.000 1.136 143 D CA -0.175 54.041 54.000 0.360 0.000 1.010 143 D CB -0.322 40.711 40.800 0.388 0.000 1.084 143 D HN 0.118 nan 8.370 nan 0.000 0.495 144 L N 1.551 123.074 121.223 0.500 0.000 2.410 144 L HA 0.272 4.612 4.340 0.000 0.000 0.273 144 L C -2.388 174.414 176.870 -0.114 0.000 1.152 144 L CA -1.446 53.556 54.840 0.269 0.000 0.855 144 L CB 0.421 42.646 42.059 0.276 0.000 1.129 144 L HN -0.024 nan 8.230 nan 0.000 0.463 145 P HA -0.049 nan 4.420 nan 0.000 0.264 145 P C -0.218 176.911 177.300 -0.286 0.000 1.183 145 P CA 0.227 63.105 63.100 -0.370 0.000 0.763 145 P CB 0.583 31.928 31.700 -0.592 0.000 0.807 146 Q N 3.117 122.807 119.800 -0.183 0.000 2.124 146 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 146 Q C 1.993 177.871 176.000 -0.205 0.000 0.977 146 Q CA 2.433 58.136 55.803 -0.168 0.000 0.850 146 Q CB -1.247 27.413 28.738 -0.131 0.000 0.901 146 Q HN 0.461 nan 8.270 nan 0.000 0.429 147 T N -0.492 113.940 114.554 -0.203 0.000 2.699 147 T HA -0.165 4.185 4.350 0.000 0.000 0.268 147 T C 1.583 176.102 174.700 -0.301 0.000 1.036 147 T CA 1.669 63.647 62.100 -0.204 0.000 1.147 147 T CB -0.220 68.553 68.868 -0.158 0.000 0.862 147 T HN 0.366 nan 8.240 nan 0.000 0.446 148 L N 0.257 121.235 121.223 -0.409 0.000 2.109 148 L HA -0.021 4.319 4.340 0.000 0.000 0.207 148 L C 2.910 179.348 176.870 -0.721 0.000 1.086 148 L CA 1.406 55.837 54.840 -0.683 0.000 0.760 148 L CB -0.639 41.030 42.059 -0.651 0.000 0.910 148 L HN 0.299 nan 8.230 nan 0.000 0.437 149 Q N 0.398 119.959 119.800 -0.398 0.000 2.124 149 Q HA -0.209 4.131 4.340 0.000 0.000 0.202 149 Q C 1.666 177.547 176.000 -0.198 0.000 0.977 149 Q CA 1.696 57.360 55.803 -0.232 0.000 0.850 149 Q CB 0.006 28.666 28.738 -0.129 0.000 0.901 149 Q HN 0.377 nan 8.270 nan 0.000 0.429 150 D N -0.482 119.789 120.400 -0.216 0.000 2.234 150 D HA -0.081 4.559 4.640 0.000 0.000 0.205 150 D C 1.410 177.628 176.300 -0.136 0.000 0.962 150 D CA 0.703 54.612 54.000 -0.151 0.000 0.855 150 D CB 0.071 40.784 40.800 -0.144 0.000 0.951 150 D HN 0.443 nan 8.370 nan 0.000 0.500 151 E N -0.396 119.669 120.200 -0.225 0.000 2.047 151 E HA -0.140 4.210 4.350 0.000 0.000 0.191 151 E C 0.616 177.210 176.600 -0.010 0.000 0.987 151 E CA 0.911 57.230 56.400 -0.135 0.000 0.799 151 E CB 0.095 29.698 29.700 -0.162 0.000 0.752 151 E HN 0.469 nan 8.360 nan 0.000 0.449 152 Y N -2.591 117.699 120.300 -0.016 0.000 2.863 152 Y HA 0.391 4.941 4.550 0.000 0.000 0.254 152 Y C -0.586 175.329 175.900 0.025 0.000 1.124 152 Y CA -0.639 57.459 58.100 -0.003 0.000 1.203 152 Y CB -0.165 38.276 38.460 -0.031 0.000 1.269 152 Y HN -0.198 nan 8.280 nan 0.000 0.586 153 E N 0.973 121.202 120.200 0.047 0.000 2.513 153 E HA -0.210 4.140 4.350 0.000 0.000 0.257 153 E C 1.344 178.069 176.600 0.209 0.000 1.098 153 E CA 1.265 57.751 56.400 0.143 0.000 0.752 153 E CB -1.451 28.387 29.700 0.229 0.000 1.324 153 E HN 1.095 nan 8.360 nan 0.000 0.403 154 G N 0.225 109.033 108.800 0.014 0.000 2.660 154 G HA2 -0.413 3.547 3.960 0.000 0.000 0.321 154 G HA3 -0.413 3.547 3.960 0.000 0.000 0.321 154 G C 0.641 175.649 174.900 0.180 0.000 1.246 154 G CA 0.613 45.752 45.100 0.065 0.000 1.000 154 G HN 0.261 nan 8.290 nan 0.000 0.550 155 F N 0.522 120.571 119.950 0.164 0.000 2.771 155 F HA 0.246 4.773 4.527 0.000 0.000 0.299 155 F C 2.478 178.358 175.800 0.134 0.000 1.177 155 F CA 0.951 59.005 58.000 0.090 0.000 1.450 155 F CB -0.043 38.948 39.000 -0.015 0.000 1.114 155 F HN 0.234 nan 8.300 nan 0.000 0.587 156 L N -0.463 120.912 121.223 0.254 0.000 2.362 156 L HA -0.058 4.282 4.340 0.000 0.000 0.219 156 L C 0.629 177.680 176.870 0.302 0.000 1.134 156 L CA 1.478 56.447 54.840 0.215 0.000 0.807 156 L CB -0.401 41.809 42.059 0.252 0.000 0.927 156 L HN -0.041 nan 8.230 nan 0.000 0.447 157 D N -1.337 119.139 120.400 0.128 0.000 2.481 157 D HA 0.242 4.882 4.640 0.000 0.000 0.244 157 D C -2.015 173.901 176.300 -0.640 0.000 1.057 157 D CA -1.838 52.078 54.000 -0.140 0.000 0.848 157 D CB 2.457 43.210 40.800 -0.078 0.000 1.388 157 D HN -0.113 nan 8.370 nan 0.000 0.475 158 P HA -0.098 nan 4.420 nan 0.000 0.228 158 P C 0.927 177.935 177.300 -0.488 0.000 1.151 158 P CA 0.849 63.544 63.100 -0.676 0.000 0.770 158 P CB 0.421 31.928 31.700 -0.321 0.000 0.786 159 Q N -0.730 118.704 119.800 -0.611 0.000 2.297 159 Q HA -0.142 4.198 4.340 0.000 0.000 0.208 159 Q C 2.003 177.634 176.000 -0.617 0.000 0.981 159 Q CA 0.706 56.079 55.803 -0.716 0.000 0.876 159 Q CB -0.656 27.355 28.738 -1.212 0.000 0.921 159 Q HN 0.196 nan 8.270 nan 0.000 0.446 160 I N 0.439 120.665 120.570 -0.574 0.000 2.454 160 I HA -0.239 3.931 4.170 0.000 0.000 0.254 160 I C 1.621 177.634 176.117 -0.174 0.000 1.156 160 I CA 1.096 62.210 61.300 -0.310 0.000 1.433 160 I CB -0.003 37.581 38.000 -0.693 0.000 1.082 160 I HN 0.179 nan 8.210 nan 0.000 0.432 161 I N 0.255 120.723 120.570 -0.170 0.000 2.142 161 I HA -0.302 3.868 4.170 0.000 0.000 0.240 161 I C 1.946 178.089 176.117 0.043 0.000 1.078 161 I CA 1.611 62.906 61.300 -0.009 0.000 1.343 161 I CB -0.565 37.425 38.000 -0.017 0.000 1.046 161 I HN 0.175 nan 8.210 nan 0.000 0.405 162 D N 0.396 120.790 120.400 -0.010 0.000 2.183 162 D HA -0.136 4.504 4.640 0.000 0.000 0.203 162 D C 1.773 178.110 176.300 0.061 0.000 0.969 162 D CA 0.971 54.978 54.000 0.012 0.000 0.842 162 D CB -0.256 40.537 40.800 -0.012 0.000 0.957 162 D HN 0.275 nan 8.370 nan 0.000 0.484 163 D N -0.294 120.182 120.400 0.127 0.000 2.123 163 D HA -0.119 4.521 4.640 0.000 0.000 0.200 163 D C 1.761 178.248 176.300 0.311 0.000 0.976 163 D CA 0.353 54.517 54.000 0.274 0.000 0.831 163 D CB -0.300 40.744 40.800 0.405 0.000 0.974 163 D HN 0.150 nan 8.370 nan 0.000 0.469 164 F N 2.090 122.097 119.950 0.095 0.000 2.186 164 F HA -0.087 4.440 4.527 0.000 0.000 0.299 164 F C 2.106 177.807 175.800 -0.166 0.000 1.090 164 F CA 1.185 59.118 58.000 -0.111 0.000 1.307 164 F CB -0.099 38.898 39.000 -0.004 0.000 1.019 164 F HN -0.208 nan 8.300 nan 0.000 0.489 165 K N 0.161 120.471 120.400 -0.150 0.000 2.026 165 K HA -0.202 4.118 4.320 0.000 0.000 0.208 165 K C 1.725 178.150 176.600 -0.292 0.000 1.048 165 K CA 2.030 58.160 56.287 -0.263 0.000 0.929 165 K CB -0.405 32.041 32.500 -0.089 0.000 0.713 165 K HN 0.176 nan 8.250 nan 0.000 0.439 166 D N -0.309 120.000 120.400 -0.151 0.000 2.144 166 D HA -0.173 4.467 4.640 0.000 0.000 0.199 166 D C 1.728 177.910 176.300 -0.197 0.000 0.984 166 D CA 0.915 54.844 54.000 -0.119 0.000 0.834 166 D CB -0.348 40.450 40.800 -0.005 0.000 0.955 166 D HN 0.321 nan 8.370 nan 0.000 0.465 167 Y N 1.760 121.794 120.300 -0.444 0.000 2.145 167 Y HA -0.138 4.412 4.550 0.000 0.000 0.286 167 Y C 2.219 177.660 175.900 -0.765 0.000 1.145 167 Y CA 1.674 59.384 58.100 -0.650 0.000 1.148 167 Y CB -0.634 37.073 38.460 -1.255 0.000 0.981 167 Y HN -0.063 nan 8.280 nan 0.000 0.507 168 A N 0.005 122.098 122.820 -1.212 0.000 1.940 168 A HA -0.237 4.083 4.320 0.000 0.000 0.219 168 A C 1.975 178.551 177.584 -1.681 0.000 1.176 168 A CA 2.073 53.104 52.037 -1.676 0.000 0.631 168 A CB -1.220 16.855 19.000 -1.540 0.000 0.814 168 A HN 0.633 nan 8.150 nan 0.000 0.446 169 D N -0.725 119.123 120.400 -0.920 0.000 2.117 169 D HA -0.155 4.485 4.640 0.000 0.000 0.197 169 D C 1.753 177.753 176.300 -0.499 0.000 0.987 169 D CA 1.346 55.029 54.000 -0.529 0.000 0.829 169 D CB -0.164 40.531 40.800 -0.174 0.000 0.961 169 D HN 0.272 nan 8.370 nan 0.000 0.460 170 L N 0.014 120.958 121.223 -0.465 0.000 2.046 170 L HA -0.101 4.239 4.340 0.000 0.000 0.208 170 L C 2.183 178.774 176.870 -0.465 0.000 1.077 170 L CA 1.575 56.214 54.840 -0.335 0.000 0.747 170 L CB -0.753 41.179 42.059 -0.212 0.000 0.896 170 L HN 0.237 nan 8.230 nan 0.000 0.432 171 C N -0.475 118.426 119.300 -0.664 0.000 2.413 171 C HA -0.173 4.287 4.460 0.000 0.000 0.276 171 C C 2.529 177.277 174.990 -0.404 0.000 1.236 171 C CA 0.751 59.490 59.018 -0.464 0.000 1.735 171 C CB -1.358 25.923 27.740 -0.764 0.000 2.031 171 C HN 0.584 nan 8.230 nan 0.000 0.474 172 F N 1.222 120.711 119.950 -0.768 0.000 2.102 172 F HA -0.113 4.414 4.527 0.000 0.000 0.298 172 F C 2.438 177.940 175.800 -0.498 0.000 1.105 172 F CA 1.594 59.088 58.000 -0.843 0.000 1.239 172 F CB -1.442 36.594 39.000 -1.606 0.000 0.991 172 F HN 0.381 nan 8.300 nan 0.000 0.474 173 E N 0.194 120.247 120.200 -0.244 0.000 2.077 173 E HA -0.194 4.156 4.350 0.000 0.000 0.193 173 E C 1.966 178.542 176.600 -0.039 0.000 0.989 173 E CA 1.396 57.825 56.400 0.049 0.000 0.800 173 E CB 0.048 29.776 29.700 0.046 0.000 0.746 173 E HN 0.301 nan 8.360 nan 0.000 0.452 174 E N -0.743 119.279 120.200 -0.297 0.000 2.170 174 E HA -0.075 4.275 4.350 0.000 0.000 0.191 174 E C 1.445 177.840 176.600 -0.342 0.000 0.981 174 E CA 0.767 56.868 56.400 -0.498 0.000 0.830 174 E CB 0.107 29.080 29.700 -1.211 0.000 0.775 174 E HN 0.360 nan 8.360 nan 0.000 0.470 175 F N -0.989 119.117 119.950 0.260 0.000 2.752 175 F HA 0.311 4.838 4.527 0.000 0.000 0.310 175 F C 2.099 178.114 175.800 0.357 0.000 1.097 175 F CA 0.105 58.295 58.000 0.316 0.000 1.238 175 F CB -0.386 38.800 39.000 0.310 0.000 1.061 175 F HN -0.036 nan 8.300 nan 0.000 0.591 176 G N -0.027 109.108 108.800 0.557 0.000 2.535 176 G HA2 -0.177 3.783 3.960 0.000 0.000 0.218 176 G HA3 -0.177 3.783 3.960 0.000 0.000 0.218 176 G C 1.239 176.322 174.900 0.304 0.000 1.122 176 G CA 0.832 46.268 45.100 0.560 0.000 0.769 176 G HN 0.164 nan 8.290 nan 0.000 0.549 177 D N 0.190 120.742 120.400 0.252 0.000 2.264 177 D HA 0.004 4.644 4.640 0.000 0.000 0.208 177 D C 2.246 178.628 176.300 0.136 0.000 0.966 177 D CA 0.840 54.944 54.000 0.174 0.000 0.864 177 D CB 0.328 41.224 40.800 0.160 0.000 0.933 177 D HN 0.296 nan 8.370 nan 0.000 0.499 178 S N -0.790 115.007 115.700 0.162 0.000 2.554 178 S HA 0.120 4.590 4.470 0.000 0.000 0.227 178 S C 0.611 175.219 174.600 0.014 0.000 1.050 178 S CA -0.311 57.948 58.200 0.097 0.000 0.927 178 S CB 1.682 64.961 63.200 0.132 0.000 0.859 178 S HN -0.085 nan 8.310 nan 0.000 0.494 179 V N 3.442 123.347 119.914 -0.014 0.000 2.407 179 V HA 0.373 4.493 4.120 0.000 0.000 0.278 179 V C 0.403 176.295 176.094 -0.336 0.000 1.037 179 V CA -0.180 61.929 62.300 -0.319 0.000 0.900 179 V CB 1.495 32.872 31.823 -0.742 0.000 0.983 179 V HN 0.117 nan 8.190 nan 0.000 0.459 180 K N 3.515 123.654 120.400 -0.436 0.000 2.402 180 K HA 0.271 4.591 4.320 0.000 0.000 0.204 180 K C -0.851 175.261 176.600 -0.813 0.000 1.056 180 K CA 0.234 56.237 56.287 -0.473 0.000 1.069 180 K CB 0.666 32.884 32.500 -0.470 0.000 0.888 180 K HN 0.626 nan 8.250 nan 0.000 0.546 181 Y N -0.411 119.463 120.300 -0.711 0.000 2.322 181 Y HA 0.282 4.832 4.550 0.000 0.000 0.324 181 Y C -0.915 174.667 175.900 -0.530 0.000 1.027 181 Y CA -1.032 56.688 58.100 -0.632 0.000 1.179 181 Y CB 1.047 38.711 38.460 -1.327 0.000 1.136 181 Y HN -0.101 nan 8.280 nan 0.000 0.449 182 W N 4.805 126.136 121.300 0.051 0.000 2.573 182 W HA 0.699 5.359 4.660 0.000 0.000 0.326 182 W C -1.246 175.332 176.519 0.099 0.000 1.049 182 W CA -0.785 56.548 57.345 -0.021 0.000 1.220 182 W CB 1.370 30.695 29.460 -0.226 0.000 1.373 182 W HN 0.115 nan 8.180 nan 0.000 0.507 183 L N 2.795 124.221 121.223 0.338 0.000 2.329 183 L HA 0.379 4.719 4.340 0.000 0.000 0.279 183 L C 1.206 178.229 176.870 0.256 0.000 1.014 183 L CA -0.390 54.584 54.840 0.224 0.000 0.814 183 L CB 1.135 43.298 42.059 0.174 0.000 1.257 183 L HN 0.716 nan 8.230 nan 0.000 0.424 184 T N 0.372 115.081 114.554 0.258 0.000 2.837 184 T HA 0.281 4.631 4.350 0.000 0.000 0.242 184 T C 0.811 175.792 174.700 0.469 0.000 1.044 184 T CA 0.400 62.747 62.100 0.411 0.000 1.202 184 T CB 0.109 69.285 68.868 0.514 0.000 0.905 184 T HN 0.300 nan 8.240 nan 0.000 0.413 185 I N 2.440 123.191 120.570 0.302 0.000 2.406 185 I HA 0.381 4.551 4.170 0.000 0.000 0.290 185 I C -0.554 175.576 176.117 0.021 0.000 0.999 185 I CA -0.991 60.439 61.300 0.215 0.000 1.124 185 I CB 1.690 39.734 38.000 0.073 0.000 1.289 185 I HN 0.206 nan 8.210 nan 0.000 0.441 186 N N 5.450 124.099 118.700 -0.086 0.000 2.458 186 N HA -0.004 4.736 4.740 0.000 0.000 0.258 186 N C -0.447 174.979 175.510 -0.140 0.000 1.219 186 N CA 0.462 53.309 53.050 -0.338 0.000 0.902 186 N CB 0.431 38.251 38.487 -1.112 0.000 1.076 186 N HN 0.483 nan 8.380 nan 0.000 0.455 187 Q N 1.979 121.669 119.800 -0.182 0.000 2.391 187 Q HA -0.238 4.102 4.340 0.000 0.000 0.366 187 Q C 0.732 176.598 176.000 -0.224 0.000 1.305 187 Q CA 0.119 55.849 55.803 -0.122 0.000 1.123 187 Q CB -0.981 27.778 28.738 0.034 0.000 1.259 187 Q HN 0.688 nan 8.270 nan 0.000 0.307 188 L N 0.314 121.238 121.223 -0.498 0.000 2.051 188 L HA -0.286 4.054 4.340 0.000 0.000 0.214 188 L C 2.054 178.252 176.870 -1.121 0.000 1.076 188 L CA 2.240 56.509 54.840 -0.953 0.000 0.758 188 L CB -0.529 40.588 42.059 -1.570 0.000 0.890 188 L HN 0.639 nan 8.230 nan 0.000 0.433 189 Y N 0.194 119.875 120.300 -1.031 0.000 2.274 189 Y HA -0.260 4.290 4.550 0.000 0.000 0.290 189 Y C 2.665 178.339 175.900 -0.377 0.000 1.145 189 Y CA 1.682 59.429 58.100 -0.589 0.000 1.203 189 Y CB -0.013 38.156 38.460 -0.485 0.000 0.984 189 Y HN 0.118 nan 8.280 nan 0.000 0.533 190 S N -0.683 114.871 115.700 -0.243 0.000 2.338 190 S HA -0.178 4.292 4.470 0.000 0.000 0.218 190 S C 2.078 176.352 174.600 -0.543 0.000 1.032 190 S CA 1.465 59.480 58.200 -0.309 0.000 0.999 190 S CB -0.777 62.243 63.200 -0.301 0.000 0.905 190 S HN 0.301 nan 8.310 nan 0.000 0.439 191 V N 3.126 122.646 119.914 -0.657 0.000 2.343 191 V HA -0.101 4.019 4.120 0.000 0.000 0.247 191 V C -0.804 175.132 176.094 -0.265 0.000 1.051 191 V CA 1.715 63.687 62.300 -0.546 0.000 1.036 191 V CB -1.806 29.731 31.823 -0.476 0.000 0.654 191 V HN 0.324 nan 8.190 nan 0.000 0.451 192 P HA -0.152 nan 4.420 nan 0.000 0.215 192 P C 1.994 179.188 177.300 -0.177 0.000 1.157 192 P CA 2.470 65.423 63.100 -0.245 0.000 0.868 192 P CB -0.273 31.224 31.700 -0.339 0.000 0.788 193 T N -2.685 111.683 114.554 -0.311 0.000 2.770 193 T HA -0.000 4.350 4.350 0.000 0.000 0.258 193 T C 1.881 176.472 174.700 -0.183 0.000 1.039 193 T CA 0.742 62.684 62.100 -0.263 0.000 1.143 193 T CB -0.700 67.894 68.868 -0.456 0.000 0.866 193 T HN 0.027 nan 8.240 nan 0.000 0.428 194 R N 0.837 121.205 120.500 -0.220 0.000 2.161 194 R HA 0.252 4.592 4.340 0.000 0.000 0.213 194 R C 2.844 178.972 176.300 -0.286 0.000 1.055 194 R CA 0.856 56.835 56.100 -0.201 0.000 0.996 194 R CB -0.364 29.814 30.300 -0.203 0.000 0.901 194 R HN 0.551 nan 8.270 nan 0.000 0.456 195 G N -0.943 107.664 108.800 -0.322 0.000 2.539 195 G HA2 -0.146 3.814 3.960 0.000 0.000 0.215 195 G HA3 -0.146 3.814 3.960 0.000 0.000 0.215 195 G C 0.640 175.250 174.900 -0.483 0.000 1.141 195 G CA 0.292 45.121 45.100 -0.451 0.000 0.806 195 G HN 0.257 nan 8.290 nan 0.000 0.533 196 Y N -0.683 119.462 120.300 -0.259 0.000 2.563 196 Y HA 0.349 4.899 4.550 0.000 0.000 0.250 196 Y C 2.082 177.873 175.900 -0.182 0.000 1.126 196 Y CA -0.090 57.889 58.100 -0.201 0.000 1.231 196 Y CB 1.091 39.455 38.460 -0.160 0.000 1.288 196 Y HN 0.163 nan 8.280 nan 0.000 0.537 197 G N -0.587 108.178 108.800 -0.058 0.000 2.732 197 G HA2 -0.042 3.918 3.960 0.000 0.000 0.206 197 G HA3 -0.042 3.918 3.960 0.000 0.000 0.206 197 G C 1.466 176.307 174.900 -0.099 0.000 1.253 197 G CA 0.651 45.697 45.100 -0.090 0.000 0.796 197 G HN 0.213 nan 8.290 nan 0.000 0.616 198 S N -0.102 115.540 115.700 -0.097 0.000 2.503 198 S HA 0.453 4.923 4.470 0.000 0.000 0.217 198 S C 1.661 176.205 174.600 -0.094 0.000 0.999 198 S CA 1.241 59.396 58.200 -0.075 0.000 0.914 198 S CB 0.353 63.531 63.200 -0.036 0.000 0.782 198 S HN 1.763 nan 8.310 nan 0.000 0.520 199 A N 0.785 123.515 122.820 -0.150 0.000 2.860 199 A HA -0.152 4.168 4.320 0.000 0.000 0.267 199 A C 1.068 178.596 177.584 -0.092 0.000 1.421 199 A CA 1.126 53.049 52.037 -0.191 0.000 0.831 199 A CB -2.675 16.209 19.000 -0.193 0.000 1.041 199 A HN 0.599 nan 8.150 nan 0.000 0.623 200 L N -1.196 119.989 121.223 -0.063 0.000 2.291 200 L HA 0.053 4.393 4.340 0.000 0.000 0.214 200 L C 0.615 177.516 176.870 0.053 0.000 1.120 200 L CA 0.897 55.779 54.840 0.070 0.000 0.799 200 L CB -0.172 41.932 42.059 0.075 0.000 0.925 200 L HN 0.464 nan 8.230 nan 0.000 0.446 201 D N -0.773 119.405 120.400 -0.370 0.000 2.374 201 D HA 0.479 5.119 4.640 0.000 0.000 0.239 201 D C -0.199 175.028 176.300 -1.789 0.000 0.991 201 D CA -0.389 53.154 54.000 -0.762 0.000 0.960 201 D CB 1.447 41.991 40.800 -0.426 0.000 1.284 201 D HN -0.035 nan 8.370 nan 0.000 0.512 202 A N 1.566 122.863 122.820 -2.538 0.000 2.531 202 A HA 0.263 4.583 4.320 0.000 0.000 0.236 202 A C -1.482 175.489 177.584 -1.022 0.000 1.062 202 A CA -0.452 50.402 52.037 -1.972 0.000 0.760 202 A CB 0.044 17.841 19.000 -2.005 0.000 0.995 202 A HN 0.444 nan 8.150 nan 0.000 0.501 203 P HA 0.108 nan 4.420 nan 0.000 0.245 203 P C 0.738 177.871 177.300 -0.278 0.000 1.206 203 P CA 1.050 63.867 63.100 -0.471 0.000 0.781 203 P CB 0.221 31.755 31.700 -0.277 0.000 0.994 204 G N 0.748 109.215 108.800 -0.555 0.000 2.248 204 G HA2 -0.222 3.738 3.960 0.000 0.000 0.252 204 G HA3 -0.222 3.738 3.960 0.000 0.000 0.252 204 G C -0.223 174.507 174.900 -0.283 0.000 1.085 204 G CA -0.557 44.381 45.100 -0.270 0.000 0.845 204 G HN 0.328 nan 8.290 nan 0.000 0.494 205 R N -0.603 119.604 120.500 -0.489 0.000 2.428 205 R HA 0.798 5.138 4.340 0.000 0.000 0.294 205 R C 0.622 176.735 176.300 -0.312 0.000 1.000 205 R CA 0.198 55.985 56.100 -0.520 0.000 0.960 205 R CB 1.407 31.354 30.300 -0.588 0.000 1.076 205 R HN 0.983 nan 8.270 nan 0.000 0.475 206 c N -1.427 117.028 118.600 -0.242 0.000 3.216 206 c HA 0.433 5.003 4.570 0.000 0.000 0.346 206 c C -0.299 173.724 174.090 -0.111 0.000 1.384 206 c CA -1.139 55.104 56.329 -0.144 0.000 1.208 206 c CB 1.150 43.581 42.510 -0.133 0.000 1.483 206 c HN 0.732 nan 8.230 nan 0.000 0.453 207 S N 2.238 117.895 115.700 -0.071 0.000 2.572 207 S HA 0.304 4.774 4.470 0.000 0.000 0.279 207 S C -1.585 172.986 174.600 -0.048 0.000 1.341 207 S CA -0.091 58.081 58.200 -0.047 0.000 1.043 207 S CB 0.943 64.129 63.200 -0.023 0.000 0.887 207 S HN 0.764 nan 8.310 nan 0.000 0.516 208 P HA -0.146 nan 4.420 nan 0.000 0.216 208 P C 1.561 178.849 177.300 -0.020 0.000 1.154 208 P CA 1.516 64.600 63.100 -0.026 0.000 0.865 208 P CB -0.166 31.525 31.700 -0.016 0.000 0.789 209 T N -4.989 109.556 114.554 -0.016 0.000 3.100 209 T HA 0.067 4.417 4.350 0.000 0.000 0.253 209 T C 1.644 176.335 174.700 -0.016 0.000 1.118 209 T CA 0.191 62.284 62.100 -0.011 0.000 1.058 209 T CB -1.047 67.818 68.868 -0.005 0.000 0.953 209 T HN -0.146 nan 8.240 nan 0.000 0.515 210 V N 1.430 121.329 119.914 -0.026 0.000 2.323 210 V HA 0.083 4.203 4.120 0.000 0.000 0.244 210 V C 0.784 176.858 176.094 -0.034 0.000 1.041 210 V CA 1.646 63.926 62.300 -0.033 0.000 1.025 210 V CB -0.318 31.477 31.823 -0.048 0.000 0.656 210 V HN 0.619 nan 8.190 nan 0.000 0.451 211 D N -1.996 118.378 120.400 -0.042 0.000 2.613 211 D HA 0.250 4.890 4.640 0.000 0.000 0.230 211 D C -2.496 173.783 176.300 -0.036 0.000 1.365 211 D CA -1.566 52.409 54.000 -0.041 0.000 0.976 211 D CB 2.076 42.837 40.800 -0.064 0.000 1.415 211 D HN -0.033 nan 8.370 nan 0.000 0.589 212 P HA -0.049 nan 4.420 nan 0.000 0.230 212 P C 1.120 178.432 177.300 0.021 0.000 1.158 212 P CA 0.756 63.857 63.100 0.002 0.000 0.769 212 P CB 0.263 31.969 31.700 0.010 0.000 0.807 213 S N -2.598 113.112 115.700 0.017 0.000 2.527 213 S HA -0.023 4.447 4.470 0.000 0.000 0.222 213 S C 0.899 175.547 174.600 0.081 0.000 0.985 213 S CA -0.197 58.052 58.200 0.081 0.000 0.921 213 S CB -1.368 61.886 63.200 0.090 0.000 0.772 213 S HN 0.029 nan 8.310 nan 0.000 0.529 214 c N 3.199 121.777 118.600 -0.037 0.000 2.657 214 c HA 0.243 4.813 4.570 0.000 0.000 0.420 214 c C 1.771 175.893 174.090 0.053 0.000 1.323 214 c CA -0.472 55.812 56.329 -0.075 0.000 1.894 214 c CB -0.935 41.470 42.510 -0.174 0.000 2.681 214 c HN 0.726 nan 8.230 nan 0.000 0.613 215 Y N 1.149 121.488 120.300 0.064 0.000 2.516 215 Y HA 0.463 5.013 4.550 0.000 0.000 0.291 215 Y C 0.691 176.607 175.900 0.026 0.000 1.131 215 Y CA 0.587 58.731 58.100 0.074 0.000 1.281 215 Y CB -0.357 38.164 38.460 0.101 0.000 1.013 215 Y HN 0.771 nan 8.280 nan 0.000 0.554 216 A N -0.918 121.620 122.820 -0.471 0.000 2.515 216 A HA 0.738 5.058 4.320 0.000 0.000 0.292 216 A C -0.262 177.098 177.584 -0.373 0.000 1.065 216 A CA -0.297 51.535 52.037 -0.342 0.000 0.641 216 A CB 0.476 19.293 19.000 -0.304 0.000 1.306 216 A HN 1.125 nan 8.150 nan 0.000 0.441 217 G N -0.323 108.357 108.800 -0.199 0.000 2.346 217 G HA2 0.480 4.440 3.960 0.000 0.000 0.294 217 G HA3 0.480 4.440 3.960 0.000 0.000 0.294 217 G C -1.691 173.172 174.900 -0.061 0.000 1.294 217 G CA 0.066 45.085 45.100 -0.135 0.000 0.962 217 G HN 1.979 nan 8.290 nan 0.000 0.508 218 N N -0.698 117.987 118.700 -0.025 0.000 2.812 218 N HA 0.335 5.075 4.740 0.000 0.000 0.262 218 N C 0.725 176.237 175.510 0.003 0.000 1.241 218 N CA 0.222 53.269 53.050 -0.005 0.000 0.854 218 N CB 1.454 39.949 38.487 0.013 0.000 1.506 218 N HN 0.440 nan 8.380 nan 0.000 0.576 219 S N 0.756 116.444 115.700 -0.019 0.000 2.474 219 S HA -0.090 4.380 4.470 0.000 0.000 0.235 219 S C 1.588 176.160 174.600 -0.046 0.000 0.997 219 S CA 0.987 59.158 58.200 -0.047 0.000 0.949 219 S CB 0.128 63.283 63.200 -0.076 0.000 0.766 219 S HN 0.615 nan 8.310 nan 0.000 0.517 220 S N 0.893 116.613 115.700 0.033 0.000 2.439 220 S HA -0.043 4.427 4.470 0.000 0.000 0.224 220 S C 2.012 176.723 174.600 0.185 0.000 1.029 220 S CA 1.429 59.718 58.200 0.148 0.000 0.946 220 S CB -0.166 63.204 63.200 0.284 0.000 0.797 220 S HN 0.770 nan 8.310 nan 0.000 0.504 221 T N -1.479 113.145 114.554 0.116 0.000 3.026 221 T HA 0.296 4.646 4.350 0.000 0.000 0.245 221 T C 1.464 176.213 174.700 0.082 0.000 1.004 221 T CA 0.006 62.188 62.100 0.137 0.000 1.069 221 T CB -0.423 68.486 68.868 0.068 0.000 1.005 221 T HN 0.276 nan 8.240 nan 0.000 0.472 222 E N 2.230 122.446 120.200 0.026 0.000 2.150 222 E HA -0.028 4.322 4.350 0.000 0.000 0.193 222 E C -0.756 175.770 176.600 -0.124 0.000 0.985 222 E CA 1.071 57.458 56.400 -0.022 0.000 0.814 222 E CB -1.022 28.723 29.700 0.075 0.000 0.752 222 E HN 0.457 nan 8.360 nan 0.000 0.466 223 P HA -0.165 nan 4.420 nan 0.000 0.218 223 P C 0.662 177.884 177.300 -0.129 0.000 1.148 223 P CA 1.194 64.178 63.100 -0.194 0.000 0.822 223 P CB -0.048 31.489 31.700 -0.272 0.000 0.784 224 Y N -1.246 119.112 120.300 0.096 0.000 2.286 224 Y HA -0.040 4.510 4.550 0.000 0.000 0.293 224 Y C 2.284 178.174 175.900 -0.015 0.000 1.124 224 Y CA 0.675 58.833 58.100 0.096 0.000 1.178 224 Y CB -1.210 37.185 38.460 -0.108 0.000 1.010 224 Y HN -0.109 nan 8.280 nan 0.000 0.536 225 I N -1.112 119.462 120.570 0.006 0.000 2.179 225 I HA -0.268 3.902 4.170 0.000 0.000 0.242 225 I C 2.117 178.074 176.117 -0.268 0.000 1.088 225 I CA 1.077 62.270 61.300 -0.177 0.000 1.357 225 I CB -0.554 37.360 38.000 -0.143 0.000 1.051 225 I HN 0.007 nan 8.210 nan 0.000 0.409 226 V N 0.966 120.741 119.914 -0.232 0.000 2.358 226 V HA -0.270 3.850 4.120 0.000 0.000 0.246 226 V C 2.716 178.768 176.094 -0.070 0.000 1.047 226 V CA 1.923 64.084 62.300 -0.232 0.000 1.035 226 V CB -0.993 30.433 31.823 -0.662 0.000 0.658 226 V HN 0.488 nan 8.190 nan 0.000 0.452 227 A N -0.577 122.220 122.820 -0.039 0.000 1.908 227 A HA -0.320 4.000 4.320 0.000 0.000 0.218 227 A C 2.103 179.825 177.584 0.230 0.000 1.181 227 A CA 2.433 54.504 52.037 0.056 0.000 0.627 227 A CB -0.865 18.046 19.000 -0.149 0.000 0.818 227 A HN 0.708 nan 8.150 nan 0.000 0.445 228 H N -0.894 118.248 119.070 0.120 0.000 2.321 228 H HA -0.146 4.410 4.556 0.000 0.000 0.300 228 H C 1.900 177.340 175.328 0.187 0.000 1.087 228 H CA 2.327 58.457 56.048 0.136 0.000 1.319 228 H CB -0.336 29.380 29.762 -0.076 0.000 1.379 228 H HN 0.772 nan 8.280 nan 0.000 0.501 229 H N -0.765 118.443 119.070 0.229 0.000 2.423 229 H HA -0.075 4.481 4.556 0.000 0.000 0.297 229 H C 2.298 177.800 175.328 0.290 0.000 1.075 229 H CA 0.771 56.940 56.048 0.202 0.000 1.342 229 H CB 0.248 30.128 29.762 0.196 0.000 1.395 229 H HN 0.483 nan 8.280 nan 0.000 0.530 230 Q N 0.651 120.677 119.800 0.377 0.000 2.030 230 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 230 Q C 2.386 178.535 176.000 0.247 0.000 0.986 230 Q CA 1.346 57.269 55.803 0.200 0.000 0.843 230 Q CB -0.101 28.582 28.738 -0.092 0.000 0.904 230 Q HN 0.479 nan 8.270 nan 0.000 0.420 231 L N 0.362 121.737 121.223 0.252 0.000 2.042 231 L HA -0.236 4.104 4.340 0.000 0.000 0.210 231 L C 2.351 179.393 176.870 0.286 0.000 1.076 231 L CA 1.010 56.017 54.840 0.278 0.000 0.749 231 L CB -0.391 41.852 42.059 0.307 0.000 0.893 231 L HN 0.262 nan 8.230 nan 0.000 0.432 232 L N -0.865 120.500 121.223 0.236 0.000 2.056 232 L HA -0.161 4.179 4.340 0.000 0.000 0.207 232 L C 2.851 179.854 176.870 0.221 0.000 1.078 232 L CA 1.056 56.017 54.840 0.201 0.000 0.749 232 L CB -0.726 41.432 42.059 0.166 0.000 0.901 232 L HN 0.233 nan 8.230 nan 0.000 0.433 233 A N -0.207 122.787 122.820 0.290 0.000 1.873 233 A HA -0.290 4.030 4.320 0.000 0.000 0.215 233 A C 2.133 179.991 177.584 0.456 0.000 1.186 233 A CA 1.900 54.161 52.037 0.373 0.000 0.616 233 A CB -0.886 18.365 19.000 0.419 0.000 0.823 233 A HN 0.573 nan 8.150 nan 0.000 0.442 234 H N 0.156 119.433 119.070 0.345 0.000 2.319 234 H HA -0.042 4.514 4.556 0.000 0.000 0.297 234 H C 2.017 177.470 175.328 0.207 0.000 1.097 234 H CA 2.398 58.635 56.048 0.314 0.000 1.285 234 H CB -0.333 29.541 29.762 0.187 0.000 1.368 234 H HN 0.359 nan 8.280 nan 0.000 0.495 235 A N 0.128 122.941 122.820 -0.011 0.000 1.969 235 A HA -0.105 4.215 4.320 0.000 0.000 0.218 235 A C 2.300 179.851 177.584 -0.056 0.000 1.169 235 A CA 1.685 53.675 52.037 -0.077 0.000 0.635 235 A CB -0.482 18.568 19.000 0.083 0.000 0.810 235 A HN 0.432 nan 8.150 nan 0.000 0.445 236 K N -0.321 120.090 120.400 0.019 0.000 2.103 236 K HA 0.000 4.320 4.320 0.000 0.000 0.204 236 K C 1.636 178.228 176.600 -0.014 0.000 1.052 236 K CA 1.483 57.781 56.287 0.018 0.000 0.945 236 K CB -0.419 32.114 32.500 0.056 0.000 0.722 236 K HN 0.177 nan 8.250 nan 0.000 0.443 237 V N -0.143 119.748 119.914 -0.038 0.000 2.453 237 V HA -0.175 3.945 4.120 0.000 0.000 0.247 237 V C 2.120 178.203 176.094 -0.017 0.000 1.048 237 V CA 1.433 63.686 62.300 -0.078 0.000 1.049 237 V CB -0.118 31.573 31.823 -0.220 0.000 0.672 237 V HN 0.104 nan 8.190 nan 0.000 0.457 238 V N 0.531 120.369 119.914 -0.127 0.000 2.358 238 V HA -0.282 3.838 4.120 0.000 0.000 0.246 238 V C 2.278 178.366 176.094 -0.010 0.000 1.047 238 V CA 2.412 64.655 62.300 -0.094 0.000 1.035 238 V CB -0.637 31.065 31.823 -0.202 0.000 0.658 238 V HN 0.690 nan 8.190 nan 0.000 0.452 239 D N -0.080 120.303 120.400 -0.029 0.000 2.117 239 D HA -0.205 4.435 4.640 0.000 0.000 0.197 239 D C 2.005 178.308 176.300 0.006 0.000 0.987 239 D CA 1.452 55.442 54.000 -0.016 0.000 0.829 239 D CB -0.130 40.660 40.800 -0.018 0.000 0.961 239 D HN 0.294 nan 8.370 nan 0.000 0.460 240 L N -0.406 120.843 121.223 0.043 0.000 2.012 240 L HA -0.147 4.193 4.340 0.000 0.000 0.210 240 L C 2.087 179.042 176.870 0.140 0.000 1.073 240 L CA 1.686 56.587 54.840 0.101 0.000 0.748 240 L CB -1.164 40.985 42.059 0.149 0.000 0.891 240 L HN 0.188 nan 8.230 nan 0.000 0.431 241 Y N 0.642 120.889 120.300 -0.089 0.000 2.145 241 Y HA -0.204 4.346 4.550 0.000 0.000 0.286 241 Y C 2.627 178.403 175.900 -0.207 0.000 1.145 241 Y CA 1.996 59.863 58.100 -0.389 0.000 1.148 241 Y CB -0.174 37.840 38.460 -0.743 0.000 0.981 241 Y HN 0.174 nan 8.280 nan 0.000 0.507 242 R N -0.228 120.188 120.500 -0.141 0.000 2.193 242 R HA -0.032 4.308 4.340 0.000 0.000 0.213 242 R C 1.969 178.166 176.300 -0.170 0.000 1.055 242 R CA 1.055 57.042 56.100 -0.187 0.000 0.995 242 R CB -0.035 30.224 30.300 -0.069 0.000 0.893 242 R HN 0.342 nan 8.270 nan 0.000 0.459 243 K N -0.391 119.934 120.400 -0.126 0.000 2.276 243 K HA 0.095 4.415 4.320 0.000 0.000 0.198 243 K C 1.031 177.539 176.600 -0.154 0.000 1.052 243 K CA 0.464 56.683 56.287 -0.113 0.000 0.984 243 K CB 0.357 32.813 32.500 -0.073 0.000 0.836 243 K HN 0.021 nan 8.250 nan 0.000 0.490 244 N N -0.676 117.912 118.700 -0.188 0.000 2.294 244 N HA 0.049 4.789 4.740 0.000 0.000 0.186 244 N C -0.074 175.025 175.510 -0.685 0.000 1.107 244 N CA 0.548 53.380 53.050 -0.363 0.000 0.884 244 N CB 0.625 38.907 38.487 -0.340 0.000 1.030 244 N HN 0.107 nan 8.380 nan 0.000 0.482 245 Y N -0.651 119.439 120.300 -0.349 0.000 2.715 245 Y HA 0.240 4.790 4.550 0.000 0.000 0.255 245 Y C 1.717 177.136 175.900 -0.801 0.000 1.139 245 Y CA -0.292 57.440 58.100 -0.613 0.000 1.151 245 Y CB 0.532 38.535 38.460 -0.760 0.000 1.201 245 Y HN -0.121 nan 8.280 nan 0.000 0.556 246 T N -0.338 113.966 114.554 -0.417 0.000 2.929 246 T HA -0.198 4.152 4.350 0.000 0.000 0.271 246 T C 1.977 176.538 174.700 -0.232 0.000 1.085 246 T CA 2.054 63.953 62.100 -0.335 0.000 1.125 246 T CB -0.231 68.521 68.868 -0.194 0.000 0.874 246 T HN 0.662 nan 8.240 nan 0.000 0.494 247 H N -0.019 118.945 119.070 -0.178 0.000 2.491 247 H HA 0.055 4.611 4.556 0.000 0.000 0.290 247 H C 1.798 177.084 175.328 -0.070 0.000 1.050 247 H CA 0.886 56.868 56.048 -0.109 0.000 1.309 247 H CB -0.384 29.319 29.762 -0.099 0.000 1.392 247 H HN 0.511 nan 8.280 nan 0.000 0.554 248 Q N 0.689 120.194 119.800 -0.491 0.000 2.378 248 Q HA 0.071 4.411 4.340 0.000 0.000 0.205 248 Q C 1.081 177.010 176.000 -0.118 0.000 0.954 248 Q CA 0.440 56.096 55.803 -0.246 0.000 0.901 248 Q CB 0.273 28.872 28.738 -0.232 0.000 0.981 248 Q HN 0.768 nan 8.270 nan 0.000 0.483 249 G N 0.823 109.537 108.800 -0.143 0.000 2.273 249 G HA2 -0.244 3.716 3.960 0.000 0.000 0.280 249 G HA3 -0.244 3.716 3.960 0.000 0.000 0.280 249 G C 0.190 175.032 174.900 -0.097 0.000 1.047 249 G CA 0.095 45.137 45.100 -0.096 0.000 0.869 249 G HN 0.500 nan 8.290 nan 0.000 0.502 250 G N -1.238 107.537 108.800 -0.041 0.000 2.820 250 G HA2 0.756 4.716 3.960 0.000 0.000 0.291 250 G HA3 0.756 4.716 3.960 0.000 0.000 0.291 250 G C -0.385 174.597 174.900 0.138 0.000 1.323 250 G CA -0.805 44.295 45.100 -0.001 0.000 1.055 250 G HN 0.382 nan 8.290 nan 0.000 0.520 251 K N -0.900 119.541 120.400 0.068 0.000 2.435 251 K HA 0.628 4.948 4.320 0.000 0.000 0.251 251 K C -1.514 175.307 176.600 0.368 0.000 0.954 251 K CA -0.629 55.816 56.287 0.263 0.000 0.820 251 K CB 3.008 35.644 32.500 0.227 0.000 1.292 251 K HN 0.392 nan 8.250 nan 0.000 0.436 252 I N 0.031 120.786 120.570 0.308 0.000 2.802 252 I HA 0.669 4.839 4.170 0.000 0.000 0.298 252 I C -1.117 174.887 176.117 -0.189 0.000 1.176 252 I CA -0.268 61.065 61.300 0.055 0.000 1.025 252 I CB 2.213 40.044 38.000 -0.281 0.000 1.243 252 I HN 0.755 nan 8.210 nan 0.000 0.424 253 G N 5.485 114.018 108.800 -0.445 0.000 2.660 253 G HA2 0.597 4.557 3.960 0.000 0.000 0.290 253 G HA3 0.597 4.557 3.960 0.000 0.000 0.290 253 G C -3.344 171.463 174.900 -0.154 0.000 1.432 253 G CA -0.961 43.870 45.100 -0.449 0.000 0.807 253 G HN 0.349 nan 8.290 nan 0.000 0.485 254 P HA 0.399 nan 4.420 nan 0.000 0.278 254 P C -0.476 176.731 177.300 -0.155 0.000 1.266 254 P CA -0.075 62.941 63.100 -0.140 0.000 0.807 254 P CB 1.410 32.851 31.700 -0.431 0.000 1.094 255 T N 1.867 116.342 114.554 -0.133 0.000 2.794 255 T HA 0.464 4.814 4.350 0.000 0.000 0.280 255 T C 0.169 174.763 174.700 -0.177 0.000 0.987 255 T CA -0.322 61.701 62.100 -0.128 0.000 0.993 255 T CB 0.256 69.054 68.868 -0.116 0.000 0.939 255 T HN 0.240 nan 8.240 nan 0.000 0.449 256 M N 3.072 122.587 119.600 -0.142 0.000 2.404 256 M HA 0.462 4.942 4.480 0.000 0.000 0.338 256 M C -0.255 176.004 176.300 -0.067 0.000 1.150 256 M CA -1.159 54.070 55.300 -0.118 0.000 1.016 256 M CB 1.606 34.199 32.600 -0.013 0.000 1.672 256 M HN 0.532 nan 8.290 nan 0.000 0.448 257 I N 3.485 124.020 120.570 -0.058 0.000 2.416 257 I HA 0.227 4.397 4.170 0.000 0.000 0.288 257 I C 0.174 176.414 176.117 0.205 0.000 1.051 257 I CA 0.446 61.773 61.300 0.045 0.000 1.375 257 I CB 0.676 38.716 38.000 0.066 0.000 1.407 257 I HN 0.767 nan 8.210 nan 0.000 0.516 258 T N 5.528 120.233 114.554 0.252 0.000 2.918 258 T HA 0.768 5.118 4.350 0.000 0.000 0.286 258 T C -0.114 174.780 174.700 0.324 0.000 1.026 258 T CA -0.891 61.472 62.100 0.439 0.000 1.031 258 T CB 1.455 70.540 68.868 0.363 0.000 1.046 258 T HN 0.693 nan 8.240 nan 0.000 0.479 259 R N 0.219 120.860 120.500 0.236 0.000 2.774 259 R HA 0.407 4.747 4.340 0.000 0.000 0.272 259 R C -1.220 175.037 176.300 -0.072 0.000 1.000 259 R CA -0.927 55.070 56.100 -0.172 0.000 0.906 259 R CB 2.274 32.020 30.300 -0.924 0.000 1.227 259 R HN 0.774 nan 8.270 nan 0.000 0.468 260 W N 2.296 123.453 121.300 -0.239 0.000 2.298 260 W HA 0.488 5.148 4.660 0.000 0.000 0.358 260 W C -1.277 174.734 176.519 -0.847 0.000 1.241 260 W CA -0.412 56.744 57.345 -0.314 0.000 1.385 260 W CB 1.095 30.559 29.460 0.008 0.000 1.225 260 W HN 0.363 nan 8.180 nan 0.000 0.654 261 F N 2.854 122.279 119.950 -0.875 0.000 2.547 261 F HA 0.482 5.009 4.527 0.000 0.000 0.316 261 F C -0.357 175.002 175.800 -0.734 0.000 1.121 261 F CA -0.713 56.892 58.000 -0.657 0.000 0.911 261 F CB 1.290 39.967 39.000 -0.539 0.000 1.179 261 F HN -0.074 nan 8.300 nan 0.000 0.443 262 L N 3.739 124.823 121.223 -0.231 0.000 2.341 262 L HA 0.641 4.981 4.340 0.000 0.000 0.267 262 L C -2.551 174.406 176.870 0.145 0.000 1.009 262 L CA -2.389 52.414 54.840 -0.062 0.000 0.819 262 L CB 2.515 44.551 42.059 -0.039 0.000 1.323 262 L HN 0.291 nan 8.230 nan 0.000 0.425 263 P HA -0.012 nan 4.420 nan 0.000 0.271 263 P C -0.076 177.356 177.300 0.219 0.000 1.220 263 P CA -0.062 63.132 63.100 0.156 0.000 0.768 263 P CB 0.363 32.112 31.700 0.080 0.000 0.848 264 Y N 3.607 123.933 120.300 0.043 0.000 2.207 264 Y HA -0.168 4.382 4.550 0.000 0.000 0.287 264 Y C 0.467 176.253 175.900 -0.189 0.000 1.156 264 Y CA 1.598 59.623 58.100 -0.125 0.000 1.182 264 Y CB 0.123 38.541 38.460 -0.070 0.000 0.979 264 Y HN 0.269 nan 8.280 nan 0.000 0.521 265 N N 0.693 119.348 118.700 -0.074 0.000 2.504 265 N HA 0.077 4.817 4.740 0.000 0.000 0.280 265 N C -0.931 174.551 175.510 -0.047 0.000 1.052 265 N CA -0.027 52.929 53.050 -0.158 0.000 0.887 265 N CB 0.908 39.334 38.487 -0.100 0.000 1.323 265 N HN 0.331 nan 8.380 nan 0.000 0.509 266 D N 1.151 121.516 120.400 -0.059 0.000 2.336 266 D HA -0.037 4.603 4.640 0.000 0.000 0.229 266 D C 0.956 177.250 176.300 -0.010 0.000 1.061 266 D CA 0.393 54.387 54.000 -0.010 0.000 0.875 266 D CB -0.120 40.685 40.800 0.008 0.000 0.904 266 D HN 0.497 nan 8.370 nan 0.000 0.525 267 T N -4.036 110.504 114.554 -0.023 0.000 3.084 267 T HA 0.110 4.460 4.350 0.000 0.000 0.270 267 T C -0.075 174.618 174.700 -0.012 0.000 1.008 267 T CA -0.628 61.462 62.100 -0.017 0.000 0.900 267 T CB 0.005 68.859 68.868 -0.022 0.000 1.084 267 T HN -0.021 nan 8.240 nan 0.000 0.538 268 D N 1.873 122.272 120.400 -0.001 0.000 2.329 268 D HA 0.265 4.905 4.640 0.000 0.000 0.232 268 D C 1.583 177.878 176.300 -0.009 0.000 1.088 268 D CA -1.013 52.998 54.000 0.018 0.000 0.835 268 D CB 1.442 42.282 40.800 0.067 0.000 1.078 268 D HN 0.300 nan 8.370 nan 0.000 0.495 269 R N 3.717 124.163 120.500 -0.091 0.000 2.127 269 R HA -0.175 4.165 4.340 0.000 0.000 0.238 269 R C 0.888 177.092 176.300 -0.160 0.000 1.134 269 R CA 1.054 57.062 56.100 -0.153 0.000 0.975 269 R CB -0.544 29.614 30.300 -0.235 0.000 0.865 269 R HN 0.526 nan 8.270 nan 0.000 0.447 270 H N 0.485 119.559 119.070 0.006 0.000 2.357 270 H HA -0.024 4.532 4.556 0.000 0.000 0.301 270 H C 2.251 177.579 175.328 0.001 0.000 1.082 270 H CA 1.679 57.727 56.048 -0.000 0.000 1.342 270 H CB -0.125 29.636 29.762 -0.002 0.000 1.389 270 H HN 0.346 nan 8.280 nan 0.000 0.511 271 S N 0.362 116.147 115.700 0.142 0.000 2.383 271 S HA -0.059 4.411 4.470 0.000 0.000 0.227 271 S C 2.302 176.936 174.600 0.056 0.000 1.026 271 S CA 0.473 58.734 58.200 0.102 0.000 0.981 271 S CB -0.269 63.018 63.200 0.145 0.000 0.818 271 S HN 0.235 nan 8.310 nan 0.000 0.472 272 I N 1.697 122.288 120.570 0.034 0.000 2.179 272 I HA -0.161 4.009 4.170 0.000 0.000 0.242 272 I C 2.852 178.970 176.117 0.001 0.000 1.088 272 I CA 1.152 62.460 61.300 0.014 0.000 1.357 272 I CB -0.544 37.458 38.000 0.003 0.000 1.051 272 I HN 0.399 nan 8.210 nan 0.000 0.409 273 A N 0.742 123.564 122.820 0.003 0.000 1.883 273 A HA -0.223 4.097 4.320 0.000 0.000 0.217 273 A C 2.553 180.134 177.584 -0.005 0.000 1.186 273 A CA 2.036 54.077 52.037 0.006 0.000 0.624 273 A CB -1.008 18.003 19.000 0.017 0.000 0.822 273 A HN 0.438 nan 8.150 nan 0.000 0.444 274 A N -1.059 121.756 122.820 -0.009 0.000 1.940 274 A HA -0.127 4.193 4.320 0.000 0.000 0.219 274 A C 2.301 179.823 177.584 -0.104 0.000 1.176 274 A CA 2.431 54.434 52.037 -0.056 0.000 0.631 274 A CB -1.334 17.636 19.000 -0.049 0.000 0.814 274 A HN 0.460 nan 8.150 nan 0.000 0.446 275 T N -0.069 114.438 114.554 -0.078 0.000 2.746 275 T HA -0.103 4.247 4.350 0.000 0.000 0.267 275 T C 1.778 176.381 174.700 -0.162 0.000 1.039 275 T CA 1.485 63.512 62.100 -0.122 0.000 1.142 275 T CB -0.202 68.626 68.868 -0.066 0.000 0.866 275 T HN 0.494 nan 8.240 nan 0.000 0.444 276 E N 1.122 121.272 120.200 -0.084 0.000 2.152 276 E HA 0.021 4.371 4.350 0.000 0.000 0.192 276 E C 2.421 179.019 176.600 -0.003 0.000 0.983 276 E CA 0.570 56.944 56.400 -0.044 0.000 0.818 276 E CB -0.204 29.502 29.700 0.010 0.000 0.758 276 E HN 0.445 nan 8.360 nan 0.000 0.467 277 R N -0.016 120.488 120.500 0.006 0.000 2.096 277 R HA -0.031 4.309 4.340 0.000 0.000 0.235 277 R C 2.274 178.633 176.300 0.098 0.000 1.127 277 R CA 0.991 57.160 56.100 0.113 0.000 0.968 277 R CB -0.151 30.181 30.300 0.052 0.000 0.861 277 R HN 0.145 nan 8.270 nan 0.000 0.440 278 M N 0.834 120.318 119.600 -0.192 0.000 2.117 278 M HA -0.140 4.340 4.480 0.000 0.000 0.262 278 M C 1.872 177.955 176.300 -0.361 0.000 1.065 278 M CA 1.664 56.666 55.300 -0.497 0.000 1.114 278 M CB -0.565 31.252 32.600 -1.305 0.000 1.361 278 M HN 0.027 nan 8.290 nan 0.000 0.408 279 K N -0.487 119.783 120.400 -0.217 0.000 2.057 279 K HA -0.167 4.153 4.320 0.000 0.000 0.207 279 K C 2.106 178.874 176.600 0.279 0.000 1.049 279 K CA 1.019 57.360 56.287 0.090 0.000 0.931 279 K CB -0.057 32.432 32.500 -0.019 0.000 0.714 279 K HN 0.349 nan 8.250 nan 0.000 0.440 280 Q N -0.257 119.678 119.800 0.224 0.000 2.079 280 Q HA -0.081 4.259 4.340 0.000 0.000 0.200 280 Q C 2.055 178.170 176.000 0.192 0.000 0.974 280 Q CA 1.441 57.372 55.803 0.214 0.000 0.840 280 Q CB -0.146 28.656 28.738 0.106 0.000 0.898 280 Q HN 0.305 nan 8.270 nan 0.000 0.430 281 F N -0.875 119.162 119.950 0.145 0.000 2.325 281 F HA -0.093 4.434 4.527 0.000 0.000 0.299 281 F C 1.948 178.014 175.800 0.444 0.000 1.090 281 F CA 0.647 58.749 58.000 0.170 0.000 1.392 281 F CB -0.067 38.968 39.000 0.058 0.000 1.053 281 F HN 0.026 nan 8.300 nan 0.000 0.521 282 F N -0.497 119.711 119.950 0.429 0.000 2.274 282 F HA 0.088 4.615 4.527 0.000 0.000 0.288 282 F C 1.762 177.858 175.800 0.494 0.000 1.069 282 F CA 1.215 59.453 58.000 0.396 0.000 1.343 282 F CB -0.135 38.981 39.000 0.193 0.000 1.089 282 F HN -0.252 nan 8.300 nan 0.000 0.517 283 L N -0.977 120.647 121.223 0.667 0.000 2.189 283 L HA 0.173 4.513 4.340 0.000 0.000 0.199 283 L C 2.660 179.795 176.870 0.441 0.000 1.074 283 L CA 1.004 56.197 54.840 0.589 0.000 0.783 283 L CB -1.416 41.067 42.059 0.706 0.000 0.955 283 L HN 0.216 nan 8.230 nan 0.000 0.460 284 G N -0.539 108.520 108.800 0.431 0.000 2.432 284 G HA2 -0.298 3.662 3.960 0.000 0.000 0.219 284 G HA3 -0.298 3.662 3.960 0.000 0.000 0.219 284 G C 1.281 176.346 174.900 0.275 0.000 1.135 284 G CA 0.156 45.456 45.100 0.334 0.000 0.767 284 G HN 0.384 nan 8.290 nan 0.000 0.550 285 W N 1.225 122.524 121.300 -0.002 0.000 2.308 285 W HA -0.103 4.557 4.660 0.000 0.000 0.301 285 W C 1.701 177.972 176.519 -0.413 0.000 1.220 285 W CA 1.219 58.431 57.345 -0.221 0.000 1.240 285 W CB -0.597 28.626 29.460 -0.395 0.000 1.142 285 W HN 0.265 nan 8.180 nan 0.000 0.521 286 F N -1.744 118.372 119.950 0.276 0.000 2.453 286 F HA -0.006 4.521 4.527 0.000 0.000 0.284 286 F C 2.339 178.119 175.800 -0.033 0.000 1.065 286 F CA 0.659 58.689 58.000 0.050 0.000 1.411 286 F CB -1.196 37.745 39.000 -0.098 0.000 1.131 286 F HN -0.340 nan 8.300 nan 0.000 0.582 287 M N 0.387 120.001 119.600 0.024 0.000 2.319 287 M HA 0.064 4.544 4.480 0.000 0.000 0.265 287 M C 2.423 178.608 176.300 -0.191 0.000 1.068 287 M CA 1.191 56.288 55.300 -0.339 0.000 1.118 287 M CB -1.864 30.047 32.600 -1.149 0.000 1.395 287 M HN 0.258 nan 8.290 nan 0.000 0.435 288 G N 1.236 110.051 108.800 0.024 0.000 2.421 288 G HA2 -0.163 3.797 3.960 0.000 0.000 0.216 288 G HA3 -0.163 3.797 3.960 0.000 0.000 0.216 288 G C -0.972 173.931 174.900 0.006 0.000 1.171 288 G CA 0.349 45.515 45.100 0.110 0.000 0.775 288 G HN 0.328 nan 8.290 nan 0.000 0.543 289 P HA -0.003 nan 4.420 nan 0.000 0.216 289 P C 2.043 179.252 177.300 -0.152 0.000 1.153 289 P CA 0.633 63.583 63.100 -0.251 0.000 0.848 289 P CB -0.093 31.428 31.700 -0.298 0.000 0.787 290 L N -1.161 120.038 121.223 -0.040 0.000 2.131 290 L HA -0.128 4.212 4.340 0.000 0.000 0.210 290 L C 2.137 179.117 176.870 0.183 0.000 1.092 290 L CA 2.068 56.949 54.840 0.068 0.000 0.759 290 L CB -1.205 40.855 42.059 0.001 0.000 0.903 290 L HN 0.173 nan 8.230 nan 0.000 0.435 291 T N -6.113 108.515 114.554 0.124 0.000 3.014 291 T HA 0.064 4.414 4.350 0.000 0.000 0.250 291 T C 1.292 176.012 174.700 0.033 0.000 1.060 291 T CA 0.428 62.636 62.100 0.179 0.000 1.040 291 T CB 0.157 69.266 68.868 0.402 0.000 0.971 291 T HN 0.120 nan 8.240 nan 0.000 0.497 292 N N -0.133 118.574 118.700 0.012 0.000 2.075 292 N HA 0.273 5.013 4.740 0.000 0.000 0.226 292 N C 1.257 176.712 175.510 -0.091 0.000 1.343 292 N CA 0.806 53.844 53.050 -0.021 0.000 0.881 292 N CB 0.751 39.273 38.487 0.058 0.000 1.100 292 N HN 0.437 nan 8.380 nan 0.000 0.495 293 G N 0.291 108.980 108.800 -0.186 0.000 2.148 293 G HA2 -0.265 3.695 3.960 0.000 0.000 0.254 293 G HA3 -0.265 3.695 3.960 0.000 0.000 0.254 293 G C 0.033 174.709 174.900 -0.373 0.000 0.981 293 G CA 0.935 45.826 45.100 -0.349 0.000 0.670 293 G HN 0.753 nan 8.290 nan 0.000 0.528 294 T N -2.862 111.564 114.554 -0.212 0.000 2.900 294 T HA 0.645 4.995 4.350 0.000 0.000 0.303 294 T C -0.247 174.434 174.700 -0.033 0.000 1.142 294 T CA -1.040 61.027 62.100 -0.054 0.000 1.007 294 T CB 2.026 70.921 68.868 0.046 0.000 1.156 294 T HN 0.368 nan 8.240 nan 0.000 0.490 295 Y N 1.357 121.796 120.300 0.232 0.000 2.357 295 Y HA 0.406 4.956 4.550 0.000 0.000 0.340 295 Y C -1.984 173.940 175.900 0.041 0.000 1.260 295 Y CA -1.642 56.538 58.100 0.134 0.000 1.425 295 Y CB -0.164 38.338 38.460 0.071 0.000 1.326 295 Y HN 0.475 nan 8.280 nan 0.000 0.580 296 P HA -0.058 nan 4.420 nan 0.000 0.265 296 P C 0.223 177.526 177.300 0.006 0.000 1.187 296 P CA 0.089 63.227 63.100 0.064 0.000 0.766 296 P CB 0.699 32.396 31.700 -0.004 0.000 0.820 297 Q N 2.989 122.801 119.800 0.020 0.000 2.096 297 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 297 Q C 1.584 177.563 176.000 -0.034 0.000 0.982 297 Q CA 1.761 57.567 55.803 0.005 0.000 0.850 297 Q CB -1.080 27.671 28.738 0.022 0.000 0.901 297 Q HN 0.447 nan 8.270 nan 0.000 0.422 298 I N -0.553 119.991 120.570 -0.043 0.000 2.361 298 I HA -0.216 3.954 4.170 0.000 0.000 0.251 298 I C 1.791 177.827 176.117 -0.135 0.000 1.133 298 I CA 1.399 62.685 61.300 -0.023 0.000 1.413 298 I CB -0.139 37.901 38.000 0.067 0.000 1.073 298 I HN 0.317 nan 8.210 nan 0.000 0.424 299 M N -0.550 118.814 119.600 -0.393 0.000 2.123 299 M HA -0.152 4.328 4.480 0.000 0.000 0.263 299 M C 2.313 178.421 176.300 -0.319 0.000 1.069 299 M CA 1.788 56.733 55.300 -0.591 0.000 1.133 299 M CB -0.454 31.668 32.600 -0.796 0.000 1.356 299 M HN 0.176 nan 8.290 nan 0.000 0.415 300 I N 0.694 121.150 120.570 -0.190 0.000 2.145 300 I HA -0.373 3.797 4.170 0.000 0.000 0.244 300 I C 1.922 177.974 176.117 -0.110 0.000 1.075 300 I CA 1.439 62.666 61.300 -0.121 0.000 1.332 300 I CB -0.667 37.314 38.000 -0.032 0.000 1.033 300 I HN 0.303 nan 8.210 nan 0.000 0.410 301 D N 0.200 120.558 120.400 -0.070 0.000 2.097 301 D HA -0.129 4.511 4.640 0.000 0.000 0.197 301 D C 2.252 178.526 176.300 -0.044 0.000 0.984 301 D CA 1.729 55.703 54.000 -0.042 0.000 0.826 301 D CB -0.495 40.298 40.800 -0.011 0.000 0.973 301 D HN 0.284 nan 8.370 nan 0.000 0.460 302 T N 0.371 114.917 114.554 -0.014 0.000 2.770 302 T HA -0.032 4.318 4.350 0.000 0.000 0.263 302 T C 2.169 176.834 174.700 -0.059 0.000 1.039 302 T CA 0.649 62.760 62.100 0.018 0.000 1.142 302 T CB -0.151 68.826 68.868 0.182 0.000 0.868 302 T HN -0.040 nan 8.240 nan 0.000 0.435 303 V N 0.708 120.534 119.914 -0.147 0.000 2.871 303 V HA 0.175 4.295 4.120 0.000 0.000 0.256 303 V C 2.080 178.004 176.094 -0.284 0.000 1.082 303 V CA 0.708 62.821 62.300 -0.312 0.000 1.105 303 V CB -1.595 29.812 31.823 -0.694 0.000 0.713 303 V HN 0.707 nan 8.190 nan 0.000 0.473 304 G N 1.078 109.751 108.800 -0.213 0.000 2.652 304 G HA2 -0.361 3.599 3.960 0.000 0.000 0.318 304 G HA3 -0.361 3.599 3.960 0.000 0.000 0.318 304 G C 1.179 175.968 174.900 -0.185 0.000 1.295 304 G CA 0.823 45.825 45.100 -0.163 0.000 0.999 304 G HN 0.988 nan 8.290 nan 0.000 0.548 305 A N -0.423 122.310 122.820 -0.145 0.000 2.125 305 A HA 0.063 4.383 4.320 0.000 0.000 0.219 305 A C 2.351 179.839 177.584 -0.160 0.000 1.156 305 A CA 2.039 53.997 52.037 -0.131 0.000 0.671 305 A CB -0.302 18.642 19.000 -0.093 0.000 0.794 305 A HN 0.603 nan 8.150 nan 0.000 0.459 306 R N -1.651 118.726 120.500 -0.205 0.000 2.299 306 R HA 0.143 4.483 4.340 0.000 0.000 0.197 306 R C -0.336 175.743 176.300 -0.369 0.000 0.971 306 R CA -0.059 55.910 56.100 -0.218 0.000 1.030 306 R CB -0.160 30.033 30.300 -0.179 0.000 0.932 306 R HN 0.391 nan 8.270 nan 0.000 0.477 307 L N 2.299 123.254 121.223 -0.447 0.000 2.257 307 L HA 0.344 4.684 4.340 0.000 0.000 0.290 307 L C -2.381 174.270 176.870 -0.364 0.000 1.044 307 L CA -2.411 52.106 54.840 -0.539 0.000 0.810 307 L CB 0.949 42.647 42.059 -0.603 0.000 1.193 307 L HN -0.186 nan 8.230 nan 0.000 0.425 308 P HA 0.234 nan 4.420 nan 0.000 0.270 308 P C -0.948 176.102 177.300 -0.416 0.000 1.223 308 P CA -0.316 62.468 63.100 -0.527 0.000 0.785 308 P CB 0.358 31.438 31.700 -1.032 0.000 0.923 309 T N -1.253 113.111 114.554 -0.315 0.000 2.929 309 T HA 0.588 4.938 4.350 0.000 0.000 0.284 309 T C -0.313 174.316 174.700 -0.119 0.000 1.014 309 T CA -0.563 61.465 62.100 -0.120 0.000 1.051 309 T CB 0.305 69.161 68.868 -0.021 0.000 1.028 309 T HN 0.025 nan 8.240 nan 0.000 0.485 310 F N 1.959 122.031 119.950 0.203 0.000 2.394 310 F HA 0.457 4.984 4.527 0.000 0.000 0.340 310 F C 1.536 177.397 175.800 0.101 0.000 1.105 310 F CA -0.705 57.409 58.000 0.189 0.000 1.124 310 F CB 1.202 40.255 39.000 0.088 0.000 1.145 310 F HN 0.855 nan 8.300 nan 0.000 0.505 311 S N 2.922 118.781 115.700 0.266 0.000 2.596 311 S HA 0.186 4.656 4.470 0.000 0.000 0.260 311 S C -1.945 172.745 174.600 0.150 0.000 1.336 311 S CA -0.932 57.365 58.200 0.162 0.000 0.993 311 S CB 0.811 64.084 63.200 0.122 0.000 0.923 311 S HN 0.397 nan 8.310 nan 0.000 0.567 312 P HA -0.115 nan 4.420 nan 0.000 0.216 312 P C 1.491 178.820 177.300 0.048 0.000 1.153 312 P CA 1.338 64.475 63.100 0.061 0.000 0.858 312 P CB 0.020 31.745 31.700 0.041 0.000 0.789 313 E N -0.193 120.039 120.200 0.053 0.000 2.051 313 E HA -0.226 4.124 4.350 0.000 0.000 0.192 313 E C 1.912 178.541 176.600 0.048 0.000 0.991 313 E CA 1.166 57.590 56.400 0.041 0.000 0.799 313 E CB -0.197 29.529 29.700 0.043 0.000 0.748 313 E HN 0.308 nan 8.360 nan 0.000 0.449 314 E N -0.447 119.813 120.200 0.100 0.000 2.085 314 E HA -0.166 4.184 4.350 0.000 0.000 0.194 314 E C 2.120 178.731 176.600 0.018 0.000 0.994 314 E CA 1.614 58.097 56.400 0.139 0.000 0.801 314 E CB -0.070 29.820 29.700 0.317 0.000 0.743 314 E HN 0.198 nan 8.360 nan 0.000 0.453 315 T N 0.981 115.532 114.554 -0.005 0.000 2.746 315 T HA -0.180 4.170 4.350 0.000 0.000 0.267 315 T C 1.671 176.272 174.700 -0.165 0.000 1.039 315 T CA 1.248 63.232 62.100 -0.193 0.000 1.142 315 T CB -0.306 68.515 68.868 -0.078 0.000 0.866 315 T HN 0.235 nan 8.240 nan 0.000 0.444 316 N N 0.753 119.408 118.700 -0.075 0.000 2.188 316 N HA -0.088 4.652 4.740 0.000 0.000 0.184 316 N C 2.035 177.507 175.510 -0.064 0.000 1.018 316 N CA 0.918 53.930 53.050 -0.064 0.000 0.858 316 N CB -0.188 38.278 38.487 -0.034 0.000 0.989 316 N HN 0.235 nan 8.380 nan 0.000 0.426 317 L N 1.166 122.359 121.223 -0.048 0.000 2.046 317 L HA -0.088 4.252 4.340 0.000 0.000 0.208 317 L C 2.243 179.087 176.870 -0.044 0.000 1.077 317 L CA 1.273 56.093 54.840 -0.033 0.000 0.747 317 L CB -0.484 41.574 42.059 -0.002 0.000 0.896 317 L HN -0.044 nan 8.230 nan 0.000 0.432 318 V N -0.814 119.042 119.914 -0.097 0.000 2.488 318 V HA -0.147 3.973 4.120 0.000 0.000 0.246 318 V C 1.399 177.448 176.094 -0.075 0.000 1.046 318 V CA 0.885 63.126 62.300 -0.098 0.000 1.053 318 V CB -0.712 30.918 31.823 -0.321 0.000 0.679 318 V HN 0.352 nan 8.190 nan 0.000 0.458 319 K N 0.842 121.162 120.400 -0.133 0.000 2.447 319 K HA 0.268 4.588 4.320 0.000 0.000 0.281 319 K C 1.047 177.612 176.600 -0.058 0.000 1.031 319 K CA 0.856 57.088 56.287 -0.092 0.000 1.019 319 K CB 0.153 32.582 32.500 -0.119 0.000 0.918 319 K HN 0.459 nan 8.250 nan 0.000 0.476 320 G N 2.708 111.494 108.800 -0.023 0.000 2.148 320 G HA2 -0.298 3.662 3.960 0.000 0.000 0.254 320 G HA3 -0.298 3.662 3.960 0.000 0.000 0.254 320 G C 0.153 174.943 174.900 -0.183 0.000 0.981 320 G CA 0.529 45.519 45.100 -0.184 0.000 0.670 320 G HN 0.796 nan 8.290 nan 0.000 0.528 321 S N -0.078 115.672 115.700 0.084 0.000 3.544 321 S HA 0.571 5.041 4.470 0.000 0.000 0.227 321 S C 0.062 174.870 174.600 0.346 0.000 1.387 321 S CA 0.312 58.603 58.200 0.151 0.000 1.182 321 S CB -0.822 62.488 63.200 0.183 0.000 1.243 321 S HN 1.777 nan 8.310 nan 0.000 0.467 322 Y N -2.929 117.429 120.300 0.098 0.000 2.565 322 Y HA 0.563 5.113 4.550 0.000 0.000 0.330 322 Y C -0.493 175.462 175.900 0.091 0.000 1.150 322 Y CA -1.332 56.814 58.100 0.077 0.000 1.055 322 Y CB 0.222 38.716 38.460 0.056 0.000 1.337 322 Y HN -0.014 nan 8.280 nan 0.000 0.457 323 D N 1.792 122.325 120.400 0.221 0.000 2.301 323 D HA 0.118 4.758 4.640 0.000 0.000 0.206 323 D C -0.105 176.526 176.300 0.551 0.000 0.979 323 D CA 1.444 55.618 54.000 0.290 0.000 0.874 323 D CB 0.534 41.548 40.800 0.357 0.000 0.968 323 D HN 0.464 nan 8.370 nan 0.000 0.510 324 F N -1.145 119.092 119.950 0.479 0.000 2.745 324 F HA 0.540 5.067 4.527 0.000 0.000 0.316 324 F C -1.972 174.036 175.800 0.347 0.000 1.155 324 F CA -1.430 56.841 58.000 0.452 0.000 0.937 324 F CB 0.949 40.237 39.000 0.481 0.000 1.361 324 F HN -0.399 nan 8.300 nan 0.000 0.472 325 L N 1.705 123.108 121.223 0.299 0.000 2.341 325 L HA 0.698 5.038 4.340 0.000 0.000 0.278 325 L C 0.156 177.168 176.870 0.236 0.000 1.005 325 L CA -1.101 53.747 54.840 0.013 0.000 0.818 325 L CB 1.964 43.974 42.059 -0.082 0.000 1.259 325 L HN 1.029 nan 8.230 nan 0.000 0.418 326 G N 4.564 113.430 108.800 0.110 0.000 2.391 326 G HA2 0.506 4.466 3.960 0.000 0.000 0.305 326 G HA3 0.506 4.466 3.960 0.000 0.000 0.305 326 G C -0.414 174.487 174.900 0.001 0.000 1.072 326 G CA -0.373 44.841 45.100 0.189 0.000 1.016 326 G HN 0.403 nan 8.290 nan 0.000 0.418 327 L N 3.147 124.351 121.223 -0.032 0.000 2.262 327 L HA 0.288 4.628 4.340 0.000 0.000 0.288 327 L C -0.421 176.405 176.870 -0.073 0.000 1.035 327 L CA -1.030 53.737 54.840 -0.122 0.000 0.820 327 L CB 1.030 42.941 42.059 -0.247 0.000 1.204 327 L HN 0.349 nan 8.230 nan 0.000 0.424 328 N N 2.592 121.250 118.700 -0.071 0.000 2.518 328 N HA 0.374 5.114 4.740 0.000 0.000 0.283 328 N C -1.148 174.329 175.510 -0.054 0.000 1.119 328 N CA -0.136 52.851 53.050 -0.105 0.000 0.983 328 N CB 1.310 39.748 38.487 -0.082 0.000 1.139 328 N HN 0.377 nan 8.380 nan 0.000 0.465 329 Y N 1.485 121.591 120.300 -0.324 0.000 2.396 329 Y HA 0.329 4.879 4.550 0.000 0.000 0.332 329 Y C -1.013 174.622 175.900 -0.441 0.000 1.034 329 Y CA -0.568 57.393 58.100 -0.231 0.000 1.057 329 Y CB 0.691 39.096 38.460 -0.091 0.000 1.220 329 Y HN 0.597 nan 8.280 nan 0.000 0.440 330 Y N 4.419 124.068 120.300 -1.084 0.000 2.784 330 Y HA 0.365 4.915 4.550 0.000 0.000 0.267 330 Y C -0.538 174.837 175.900 -0.874 0.000 1.117 330 Y CA 0.202 57.837 58.100 -0.774 0.000 1.231 330 Y CB 0.852 38.980 38.460 -0.554 0.000 1.441 330 Y HN 0.458 nan 8.280 nan 0.000 0.469 331 F N -2.793 116.685 119.950 -0.786 0.000 2.779 331 F HA 0.764 5.291 4.527 0.000 0.000 0.316 331 F C -1.041 174.701 175.800 -0.098 0.000 1.164 331 F CA -1.541 56.281 58.000 -0.296 0.000 0.924 331 F CB 1.071 39.908 39.000 -0.271 0.000 1.348 331 F HN -0.415 nan 8.300 nan 0.000 0.467 332 T N 0.741 115.579 114.554 0.474 0.000 2.887 332 T HA 0.601 4.951 4.350 0.000 0.000 0.288 332 T C -1.159 173.550 174.700 0.014 0.000 1.021 332 T CA -0.628 61.572 62.100 0.166 0.000 1.000 332 T CB 2.007 71.043 68.868 0.279 0.000 1.034 332 T HN 0.643 nan 8.240 nan 0.000 0.467 333 Q N 0.613 120.251 119.800 -0.270 0.000 2.399 333 Q HA 0.531 4.871 4.340 0.000 0.000 0.276 333 Q C -1.359 174.459 176.000 -0.303 0.000 1.098 333 Q CA -0.908 54.709 55.803 -0.311 0.000 0.827 333 Q CB 1.930 30.570 28.738 -0.164 0.000 1.386 333 Q HN 0.564 nan 8.270 nan 0.000 0.443 334 Y N 0.291 120.519 120.300 -0.119 0.000 2.301 334 Y HA 0.550 5.100 4.550 0.000 0.000 0.325 334 Y C 0.051 175.944 175.900 -0.011 0.000 1.203 334 Y CA -0.507 57.578 58.100 -0.024 0.000 1.255 334 Y CB 1.272 39.766 38.460 0.056 0.000 1.232 334 Y HN 0.598 nan 8.280 nan 0.000 0.501 335 A N 3.546 126.482 122.820 0.193 0.000 2.355 335 A HA 0.719 5.039 4.320 0.000 0.000 0.317 335 A C -1.032 176.578 177.584 0.043 0.000 1.094 335 A CA -0.747 51.315 52.037 0.042 0.000 0.764 335 A CB 1.139 20.114 19.000 -0.041 0.000 1.230 335 A HN 0.748 nan 8.150 nan 0.000 0.448 336 Q N 1.540 121.292 119.800 -0.081 0.000 2.484 336 Q HA 0.728 5.068 4.340 0.000 0.000 0.285 336 Q C -2.986 172.950 176.000 -0.107 0.000 1.097 336 Q CA -2.350 53.397 55.803 -0.093 0.000 0.802 336 Q CB 2.217 30.742 28.738 -0.355 0.000 1.444 336 Q HN 0.378 nan 8.270 nan 0.000 0.429 337 P HA 0.059 nan 4.420 nan 0.000 0.271 337 P C -0.888 176.344 177.300 -0.113 0.000 1.218 337 P CA 0.044 63.098 63.100 -0.078 0.000 0.780 337 P CB 1.199 32.867 31.700 -0.054 0.000 0.901 338 S N 1.942 117.575 115.700 -0.111 0.000 2.540 338 S HA 0.659 5.129 4.470 0.000 0.000 0.275 338 S C -2.879 171.665 174.600 -0.094 0.000 1.123 338 S CA -1.733 56.403 58.200 -0.107 0.000 0.907 338 S CB 0.638 63.770 63.200 -0.113 0.000 1.081 338 S HN 0.132 nan 8.310 nan 0.000 0.476 339 P HA 0.281 nan 4.420 nan 0.000 0.270 339 P C -1.068 176.203 177.300 -0.049 0.000 1.223 339 P CA -0.261 62.802 63.100 -0.062 0.000 0.785 339 P CB 0.233 31.902 31.700 -0.051 0.000 0.923 340 N N 1.619 120.297 118.700 -0.037 0.000 2.851 340 N HA 0.234 4.974 4.740 0.000 0.000 0.248 340 N C -2.484 173.030 175.510 0.007 0.000 1.221 340 N CA -2.227 50.825 53.050 0.004 0.000 0.847 340 N CB 0.202 38.678 38.487 -0.019 0.000 1.150 340 N HN 0.154 nan 8.380 nan 0.000 0.507 341 P HA 0.109 nan 4.420 nan 0.000 0.238 341 P C 0.727 177.968 177.300 -0.099 0.000 1.794 341 P CA -0.278 62.816 63.100 -0.010 0.000 1.088 341 P CB 0.524 32.235 31.700 0.017 0.000 1.923 342 V N 1.521 121.248 119.914 -0.311 0.000 2.828 342 V HA -0.217 3.903 4.120 0.000 0.000 0.260 342 V C 1.844 177.710 176.094 -0.380 0.000 1.101 342 V CA 1.617 63.506 62.300 -0.684 0.000 1.123 342 V CB -0.993 30.545 31.823 -0.476 0.000 0.704 342 V HN 0.400 nan 8.190 nan 0.000 0.493 343 N N -0.042 118.546 118.700 -0.187 0.000 2.392 343 N HA 0.167 4.907 4.740 0.000 0.000 0.177 343 N C 0.859 176.340 175.510 -0.048 0.000 1.066 343 N CA 0.688 53.677 53.050 -0.101 0.000 0.895 343 N CB -0.025 38.418 38.487 -0.074 0.000 0.988 343 N HN 0.473 nan 8.380 nan 0.000 0.457 344 A N 0.793 123.600 122.820 -0.021 0.000 2.511 344 A HA 0.177 4.497 4.320 0.000 0.000 0.242 344 A C 1.511 179.117 177.584 0.037 0.000 1.069 344 A CA 0.132 52.178 52.037 0.015 0.000 0.763 344 A CB 0.082 19.101 19.000 0.033 0.000 1.001 344 A HN 0.367 nan 8.150 nan 0.000 0.498 345 T N -0.240 114.326 114.554 0.021 0.000 2.977 345 T HA -0.161 4.189 4.350 0.000 0.000 0.271 345 T C 0.833 175.552 174.700 0.032 0.000 1.105 345 T CA 1.380 63.493 62.100 0.022 0.000 1.116 345 T CB -0.503 68.370 68.868 0.007 0.000 0.878 345 T HN 0.805 nan 8.240 nan 0.000 0.509 346 N N 0.263 118.983 118.700 0.034 0.000 2.276 346 N HA -0.016 4.724 4.740 0.000 0.000 0.212 346 N C 0.211 175.741 175.510 0.033 0.000 1.127 346 N CA -0.489 52.572 53.050 0.019 0.000 0.834 346 N CB -0.985 37.504 38.487 0.003 0.000 1.014 346 N HN 0.620 nan 8.380 nan 0.000 0.491 347 H N 1.083 120.139 119.070 -0.025 0.000 2.972 347 H HA 0.061 4.617 4.556 0.000 0.000 0.343 347 H C -0.372 174.942 175.328 -0.024 0.000 1.054 347 H CA 0.890 56.922 56.048 -0.026 0.000 1.412 347 H CB 0.763 30.512 29.762 -0.023 0.000 1.385 347 H HN 0.351 nan 8.280 nan 0.000 0.600 348 T N 0.842 115.001 114.554 -0.659 0.000 2.924 348 T HA 0.541 4.891 4.350 0.000 0.000 0.291 348 T C 1.159 175.467 174.700 -0.654 0.000 1.045 348 T CA -0.427 61.388 62.100 -0.474 0.000 1.015 348 T CB 1.666 70.382 68.868 -0.253 0.000 1.103 348 T HN 0.604 nan 8.240 nan 0.000 0.496 349 A N 1.449 124.070 122.820 -0.331 0.000 1.948 349 A HA -0.054 4.266 4.320 0.000 0.000 0.220 349 A C 2.124 179.581 177.584 -0.211 0.000 1.177 349 A CA 1.873 53.770 52.037 -0.233 0.000 0.636 349 A CB -1.080 17.590 19.000 -0.550 0.000 0.815 349 A HN 0.821 nan 8.150 nan 0.000 0.449 350 M N -0.918 118.564 119.600 -0.197 0.000 2.358 350 M HA 0.004 4.484 4.480 0.000 0.000 0.264 350 M C 1.992 178.203 176.300 -0.149 0.000 1.064 350 M CA 1.187 56.432 55.300 -0.091 0.000 1.093 350 M CB -0.613 31.982 32.600 -0.008 0.000 1.401 350 M HN 0.375 nan 8.290 nan 0.000 0.440 351 M N -0.598 118.867 119.600 -0.226 0.000 2.419 351 M HA -0.125 4.355 4.480 0.000 0.000 0.264 351 M C 1.054 177.254 176.300 -0.166 0.000 1.082 351 M CA 0.750 55.944 55.300 -0.178 0.000 1.119 351 M CB -0.369 32.133 32.600 -0.163 0.000 1.398 351 M HN 0.144 nan 8.290 nan 0.000 0.453 352 D N 1.092 121.393 120.400 -0.165 0.000 2.221 352 D HA -0.112 4.528 4.640 0.000 0.000 0.204 352 D C 1.906 177.725 176.300 -0.801 0.000 0.982 352 D CA 1.337 55.209 54.000 -0.213 0.000 0.857 352 D CB -0.010 40.822 40.800 0.053 0.000 0.934 352 D HN 0.362 nan 8.370 nan 0.000 0.475 353 A N 0.289 122.441 122.820 -1.113 0.000 2.121 353 A HA 0.179 4.499 4.320 0.000 0.000 0.218 353 A C 1.799 179.001 177.584 -0.636 0.000 1.154 353 A CA 1.346 52.527 52.037 -1.427 0.000 0.679 353 A CB -0.509 18.013 19.000 -0.797 0.000 0.795 353 A HN 0.275 nan 8.150 nan 0.000 0.458 354 G N -1.912 106.649 108.800 -0.398 0.000 2.295 354 G HA2 0.173 4.133 3.960 0.000 0.000 0.287 354 G HA3 0.173 4.133 3.960 0.000 0.000 0.287 354 G C 0.115 174.902 174.900 -0.189 0.000 1.055 354 G CA 0.586 45.550 45.100 -0.226 0.000 0.922 354 G HN 1.770 nan 8.290 nan 0.000 0.503 355 A N -0.698 122.003 122.820 -0.199 0.000 2.515 355 A HA 0.877 5.197 4.320 0.000 0.000 0.298 355 A C -0.279 177.219 177.584 -0.144 0.000 1.059 355 A CA -0.141 51.795 52.037 -0.168 0.000 0.698 355 A CB 1.615 20.494 19.000 -0.201 0.000 1.289 355 A HN 0.786 nan 8.150 nan 0.000 0.404 356 K N 1.997 122.310 120.400 -0.144 0.000 2.270 356 K HA 0.740 5.060 4.320 0.000 0.000 0.255 356 K C -1.623 174.892 176.600 -0.142 0.000 0.936 356 K CA -0.498 55.705 56.287 -0.139 0.000 0.809 356 K CB 1.008 33.403 32.500 -0.174 0.000 1.131 356 K HN 0.662 nan 8.250 nan 0.000 0.427 357 L N 3.658 124.816 121.223 -0.108 0.000 2.322 357 L HA 0.521 4.861 4.340 0.000 0.000 0.281 357 L C -0.027 176.736 176.870 -0.178 0.000 1.014 357 L CA -0.669 54.107 54.840 -0.107 0.000 0.815 357 L CB 1.882 43.913 42.059 -0.047 0.000 1.247 357 L HN 0.895 nan 8.230 nan 0.000 0.421 358 T N -2.273 112.151 114.554 -0.216 0.000 2.812 358 T HA 0.453 4.803 4.350 0.000 0.000 0.294 358 T C -0.205 174.229 174.700 -0.444 0.000 1.159 358 T CA -0.498 61.451 62.100 -0.252 0.000 1.008 358 T CB 1.257 70.100 68.868 -0.042 0.000 1.289 358 T HN 0.325 nan 8.240 nan 0.000 0.514 359 Y N -0.430 119.958 120.300 0.146 0.000 2.531 359 Y HA 0.568 5.118 4.550 0.000 0.000 0.249 359 Y C 0.238 176.198 175.900 0.101 0.000 1.168 359 Y CA -0.686 57.504 58.100 0.150 0.000 1.226 359 Y CB 0.263 38.873 38.460 0.250 0.000 1.177 359 Y HN 0.405 nan 8.280 nan 0.000 0.527 360 I N 1.167 121.808 120.570 0.117 0.000 2.498 360 I HA 0.253 4.423 4.170 0.000 0.000 0.290 360 I C -0.508 175.516 176.117 -0.154 0.000 1.032 360 I CA -1.144 60.045 61.300 -0.186 0.000 1.073 360 I CB 1.628 39.328 38.000 -0.500 0.000 1.251 360 I HN 0.030 nan 8.210 nan 0.000 0.426 361 N N 4.813 123.178 118.700 -0.558 0.000 2.476 361 N HA 0.380 5.120 4.740 0.000 0.000 0.287 361 N C 0.877 175.857 175.510 -0.883 0.000 1.262 361 N CA -0.261 52.206 53.050 -0.973 0.000 0.980 361 N CB 0.653 38.269 38.487 -1.451 0.000 1.163 361 N HN 0.608 nan 8.380 nan 0.000 0.592 362 A N -0.272 121.716 122.820 -1.387 0.000 1.972 362 A HA -0.113 4.207 4.320 0.000 0.000 0.219 362 A C 1.615 178.942 177.584 -0.428 0.000 1.169 362 A CA 1.980 53.392 52.037 -1.042 0.000 0.635 362 A CB -1.141 17.334 19.000 -0.874 0.000 0.810 362 A HN 0.826 nan 8.150 nan 0.000 0.446 363 S N -1.839 113.650 115.700 -0.352 0.000 2.679 363 S HA 0.433 4.903 4.470 0.000 0.000 0.233 363 S C 1.154 175.688 174.600 -0.109 0.000 0.951 363 S CA 0.731 58.822 58.200 -0.182 0.000 0.973 363 S CB -0.406 62.707 63.200 -0.145 0.000 0.778 363 S HN 1.861 nan 8.310 nan 0.000 0.477 364 G N 1.444 110.163 108.800 -0.135 0.000 2.148 364 G HA2 -0.292 3.668 3.960 0.000 0.000 0.254 364 G HA3 -0.292 3.668 3.960 0.000 0.000 0.254 364 G C -0.056 174.851 174.900 0.012 0.000 0.981 364 G CA 0.278 45.343 45.100 -0.059 0.000 0.670 364 G HN 0.811 nan 8.290 nan 0.000 0.528 365 H N -0.080 118.924 119.070 -0.110 0.000 2.742 365 H HA 0.438 4.994 4.556 0.000 0.000 0.302 365 H C -0.286 175.068 175.328 0.043 0.000 1.069 365 H CA -0.384 55.665 56.048 0.001 0.000 1.446 365 H CB 0.304 30.053 29.762 -0.021 0.000 1.462 365 H HN 0.165 nan 8.280 nan 0.000 0.499 366 Y N 4.739 124.715 120.300 -0.540 0.000 2.346 366 Y HA -0.019 4.531 4.550 0.000 0.000 0.330 366 Y C 1.656 177.218 175.900 -0.563 0.000 1.178 366 Y CA -0.031 57.788 58.100 -0.469 0.000 1.331 366 Y CB 0.755 38.847 38.460 -0.613 0.000 1.253 366 Y HN 0.652 nan 8.280 nan 0.000 0.529 367 I N 0.846 121.442 120.570 0.042 0.000 2.676 367 I HA 0.032 4.202 4.170 0.000 0.000 0.259 367 I C 0.972 177.230 176.117 0.234 0.000 1.194 367 I CA 1.380 62.772 61.300 0.153 0.000 1.473 367 I CB -0.159 37.836 38.000 -0.009 0.000 1.096 367 I HN 0.782 nan 8.210 nan 0.000 0.443 368 G N -0.669 108.242 108.800 0.184 0.000 2.428 368 G HA2 0.286 4.246 3.960 0.000 0.000 0.305 368 G HA3 0.286 4.246 3.960 0.000 0.000 0.305 368 G C -3.061 171.898 174.900 0.099 0.000 1.260 368 G CA -0.708 44.487 45.100 0.159 0.000 0.853 368 G HN -0.188 nan 8.290 nan 0.000 0.480 369 P HA 0.411 nan 4.420 nan 0.000 0.272 369 P C -0.100 177.276 177.300 0.127 0.000 1.240 369 P CA -0.605 62.452 63.100 -0.072 0.000 0.791 369 P CB 0.609 32.193 31.700 -0.194 0.000 0.978 370 L N 1.886 123.246 121.223 0.228 0.000 2.490 370 L HA 0.076 4.416 4.340 0.000 0.000 0.274 370 L C 0.604 177.616 176.870 0.237 0.000 1.201 370 L CA 0.696 55.542 54.840 0.010 0.000 0.869 370 L CB -0.561 41.489 42.059 -0.015 0.000 1.123 370 L HN 0.328 nan 8.230 nan 0.000 0.484 371 F N 2.752 122.658 119.950 -0.073 0.000 2.490 371 F HA 0.350 4.877 4.527 0.000 0.000 0.280 371 F C 0.535 176.256 175.800 -0.132 0.000 1.030 371 F CA 0.314 58.366 58.000 0.086 0.000 1.367 371 F CB 0.371 39.419 39.000 0.079 0.000 1.131 371 F HN 0.606 nan 8.300 nan 0.000 0.632 372 E N 0.511 120.565 120.200 -0.244 0.000 2.291 372 E HA 0.246 4.596 4.350 0.000 0.000 0.276 372 E C -1.449 175.009 176.600 -0.237 0.000 0.896 372 E CA -0.447 55.773 56.400 -0.300 0.000 0.774 372 E CB 1.924 31.494 29.700 -0.217 0.000 1.227 372 E HN 0.010 nan 8.360 nan 0.000 0.413 373 S N 2.716 118.306 115.700 -0.184 0.000 2.584 373 S HA 0.146 4.616 4.470 0.000 0.000 0.273 373 S C -0.707 173.851 174.600 -0.070 0.000 1.311 373 S CA -0.403 57.728 58.200 -0.116 0.000 1.034 373 S CB 0.879 64.032 63.200 -0.079 0.000 0.939 373 S HN 0.551 nan 8.310 nan 0.000 0.513 374 D N 2.546 122.927 120.400 -0.032 0.000 2.408 374 D HA 0.396 5.036 4.640 0.000 0.000 0.243 374 D C 1.045 177.355 176.300 0.016 0.000 1.075 374 D CA -0.407 53.593 54.000 0.001 0.000 0.832 374 D CB 1.535 42.347 40.800 0.020 0.000 1.162 374 D HN 0.633 nan 8.370 nan 0.000 0.515 375 G N 2.830 111.641 108.800 0.018 0.000 2.453 375 G HA2 -0.181 3.779 3.960 0.000 0.000 0.215 375 G HA3 -0.181 3.779 3.960 0.000 0.000 0.215 375 G C 1.289 176.209 174.900 0.033 0.000 1.201 375 G CA 0.842 45.957 45.100 0.025 0.000 0.784 375 G HN 0.588 nan 8.290 nan 0.000 0.545 376 G N -0.869 107.953 108.800 0.037 0.000 2.564 376 G HA2 0.103 4.063 3.960 0.000 0.000 0.216 376 G HA3 0.103 4.063 3.960 0.000 0.000 0.216 376 G C 0.129 175.056 174.900 0.045 0.000 1.124 376 G CA 1.028 46.152 45.100 0.040 0.000 0.764 376 G HN 0.440 nan 8.290 nan 0.000 0.550 377 D N -2.341 118.088 120.400 0.049 0.000 2.266 377 D HA 0.165 4.805 4.640 0.000 0.000 0.218 377 D C 1.350 177.693 176.300 0.072 0.000 1.311 377 D CA 0.168 54.203 54.000 0.059 0.000 0.918 377 D CB 0.013 40.850 40.800 0.061 0.000 1.530 377 D HN -0.027 nan 8.370 nan 0.000 0.514 378 G N 1.229 110.075 108.800 0.076 0.000 2.485 378 G HA2 -0.270 3.690 3.960 0.000 0.000 0.221 378 G HA3 -0.270 3.690 3.960 0.000 0.000 0.221 378 G C 1.318 176.308 174.900 0.150 0.000 1.115 378 G CA 1.356 46.516 45.100 0.101 0.000 0.751 378 G HN 0.530 nan 8.290 nan 0.000 0.567 379 S N -0.920 114.861 115.700 0.135 0.000 2.607 379 S HA 0.175 4.645 4.470 0.000 0.000 0.224 379 S C 1.718 176.422 174.600 0.174 0.000 0.969 379 S CA 1.045 59.341 58.200 0.160 0.000 0.927 379 S CB 0.174 63.442 63.200 0.113 0.000 0.772 379 S HN 0.176 nan 8.310 nan 0.000 0.533 380 S N 1.144 116.932 115.700 0.146 0.000 2.593 380 S HA 0.345 4.816 4.470 0.000 0.000 0.236 380 S C -0.078 174.579 174.600 0.095 0.000 0.991 380 S CA -0.681 57.600 58.200 0.135 0.000 0.963 380 S CB -0.493 62.765 63.200 0.097 0.000 0.865 380 S HN 0.462 nan 8.310 nan 0.000 0.488 381 N N 1.843 120.604 118.700 0.102 0.000 2.441 381 N HA 0.235 4.975 4.740 0.000 0.000 0.251 381 N C -0.417 174.932 175.510 -0.268 0.000 1.242 381 N CA 0.450 53.460 53.050 -0.067 0.000 0.898 381 N CB 0.366 38.835 38.487 -0.030 0.000 1.100 381 N HN 0.374 nan 8.380 nan 0.000 0.443 382 I N 1.639 121.863 120.570 -0.576 0.000 2.525 382 I HA 0.314 4.484 4.170 0.000 0.000 0.301 382 I C -0.648 174.896 176.117 -0.954 0.000 0.992 382 I CA -0.669 59.979 61.300 -1.087 0.000 1.162 382 I CB 0.841 38.359 38.000 -0.803 0.000 1.332 382 I HN 0.325 nan 8.210 nan 0.000 0.458 383 Y N 3.719 123.665 120.300 -0.590 0.000 2.499 383 Y HA 0.443 4.993 4.550 0.000 0.000 0.347 383 Y C -0.214 175.792 175.900 0.177 0.000 0.987 383 Y CA -0.775 57.328 58.100 0.006 0.000 1.044 383 Y CB 1.671 40.208 38.460 0.128 0.000 1.245 383 Y HN 0.441 nan 8.280 nan 0.000 0.461 384 Y N -0.478 120.091 120.300 0.448 0.000 2.565 384 Y HA 0.711 5.261 4.550 0.000 0.000 0.325 384 Y C -1.371 174.876 175.900 0.578 0.000 1.221 384 Y CA -1.972 56.436 58.100 0.513 0.000 1.316 384 Y CB 1.148 40.053 38.460 0.742 0.000 1.404 384 Y HN 0.529 nan 8.280 nan 0.000 0.527 385 Y N 1.641 122.327 120.300 0.643 0.000 2.412 385 Y HA 0.390 4.940 4.550 0.000 0.000 0.339 385 Y C -2.724 173.319 175.900 0.239 0.000 1.151 385 Y CA -2.926 55.386 58.100 0.352 0.000 1.355 385 Y CB 1.339 39.969 38.460 0.283 0.000 1.120 385 Y HN 0.359 nan 8.280 nan 0.000 0.529 386 P HA -0.203 nan 4.420 nan 0.000 0.216 386 P C 1.336 178.044 177.300 -0.987 0.000 1.153 386 P CA 1.866 64.552 63.100 -0.690 0.000 0.858 386 P CB 0.344 31.847 31.700 -0.329 0.000 0.789 387 K N -0.294 119.138 120.400 -1.614 0.000 2.280 387 K HA -0.090 4.230 4.320 0.000 0.000 0.202 387 K C 2.117 178.082 176.600 -1.058 0.000 1.047 387 K CA 1.327 56.379 56.287 -2.058 0.000 0.942 387 K CB -0.943 30.537 32.500 -1.700 0.000 0.739 387 K HN 0.071 nan 8.250 nan 0.000 0.457 388 G N 1.494 109.858 108.800 -0.727 0.000 2.469 388 G HA2 -0.285 3.675 3.960 0.000 0.000 0.220 388 G HA3 -0.285 3.675 3.960 0.000 0.000 0.220 388 G C 1.412 175.946 174.900 -0.609 0.000 1.136 388 G CA 0.897 45.944 45.100 -0.088 0.000 0.759 388 G HN 0.407 nan 8.290 nan 0.000 0.562 389 I N -1.159 118.933 120.570 -0.798 0.000 2.394 389 I HA -0.085 4.085 4.170 0.000 0.000 0.251 389 I C 2.378 178.296 176.117 -0.331 0.000 1.136 389 I CA 0.958 61.810 61.300 -0.746 0.000 1.425 389 I CB -0.035 37.758 38.000 -0.346 0.000 1.079 389 I HN 0.293 nan 8.210 nan 0.000 0.425 390 Y N 1.110 121.180 120.300 -0.384 0.000 2.114 390 Y HA -0.271 4.279 4.550 0.000 0.000 0.284 390 Y C 2.680 178.371 175.900 -0.349 0.000 1.143 390 Y CA 2.029 59.986 58.100 -0.239 0.000 1.135 390 Y CB -0.503 37.866 38.460 -0.152 0.000 0.980 390 Y HN 0.121 nan 8.280 nan 0.000 0.499 391 S N -0.632 114.897 115.700 -0.284 0.000 2.382 391 S HA -0.181 4.289 4.470 0.000 0.000 0.228 391 S C 2.154 176.214 174.600 -0.901 0.000 1.027 391 S CA 1.340 59.065 58.200 -0.791 0.000 0.991 391 S CB -0.709 61.520 63.200 -1.619 0.000 0.823 391 S HN 0.324 nan 8.310 nan 0.000 0.469 392 V N 2.332 121.929 119.914 -0.528 0.000 2.261 392 V HA -0.189 3.931 4.120 0.000 0.000 0.246 392 V C 2.434 178.615 176.094 0.145 0.000 1.047 392 V CA 1.504 63.789 62.300 -0.024 0.000 1.015 392 V CB -0.570 31.290 31.823 0.062 0.000 0.642 392 V HN 0.442 nan 8.190 nan 0.000 0.446 393 M N -0.086 119.485 119.600 -0.049 0.000 2.086 393 M HA -0.177 4.303 4.480 0.000 0.000 0.261 393 M C 2.092 178.407 176.300 0.025 0.000 1.067 393 M CA 2.113 57.415 55.300 0.004 0.000 1.116 393 M CB -1.527 31.017 32.600 -0.094 0.000 1.348 393 M HN 0.496 nan 8.290 nan 0.000 0.407 394 D N -0.486 119.830 120.400 -0.139 0.000 2.123 394 D HA -0.236 4.404 4.640 0.000 0.000 0.196 394 D C 2.004 178.322 176.300 0.030 0.000 0.992 394 D CA 1.326 55.252 54.000 -0.122 0.000 0.833 394 D CB -0.221 40.446 40.800 -0.222 0.000 0.954 394 D HN 0.340 nan 8.370 nan 0.000 0.455 395 Y N -0.328 119.928 120.300 -0.073 0.000 2.145 395 Y HA -0.171 4.379 4.550 0.000 0.000 0.286 395 Y C 1.888 177.804 175.900 0.027 0.000 1.145 395 Y CA 1.614 59.724 58.100 0.017 0.000 1.148 395 Y CB -0.610 37.946 38.460 0.160 0.000 0.981 395 Y HN -0.013 nan 8.280 nan 0.000 0.507 396 F N 0.695 120.737 119.950 0.153 0.000 2.126 396 F HA -0.199 4.328 4.527 0.000 0.000 0.299 396 F C 2.581 178.404 175.800 0.039 0.000 1.096 396 F CA 2.150 60.249 58.000 0.166 0.000 1.255 396 F CB -0.669 38.475 39.000 0.240 0.000 0.997 396 F HN -0.003 nan 8.300 nan 0.000 0.479 397 K N 0.117 120.615 120.400 0.163 0.000 2.057 397 K HA -0.194 4.126 4.320 0.000 0.000 0.207 397 K C 1.865 178.431 176.600 -0.057 0.000 1.049 397 K CA 1.786 58.116 56.287 0.071 0.000 0.931 397 K CB -0.103 32.421 32.500 0.040 0.000 0.714 397 K HN 0.137 nan 8.250 nan 0.000 0.440 398 N N 0.735 119.353 118.700 -0.137 0.000 2.173 398 N HA -0.124 4.616 4.740 0.000 0.000 0.184 398 N C 1.630 176.900 175.510 -0.401 0.000 1.025 398 N CA 1.217 54.138 53.050 -0.214 0.000 0.852 398 N CB -0.097 38.296 38.487 -0.157 0.000 0.998 398 N HN 0.162 nan 8.380 nan 0.000 0.427 399 K N -0.466 119.539 120.400 -0.658 0.000 2.262 399 K HA 0.068 4.388 4.320 0.000 0.000 0.200 399 K C -0.035 175.978 176.600 -0.977 0.000 1.049 399 K CA 0.817 56.512 56.287 -0.985 0.000 0.979 399 K CB 0.122 31.603 32.500 -1.698 0.000 0.773 399 K HN 0.075 nan 8.250 nan 0.000 0.474 400 Y N -0.255 119.812 120.300 -0.388 0.000 2.699 400 Y HA 0.246 4.796 4.550 0.000 0.000 0.282 400 Y C -1.065 174.903 175.900 0.113 0.000 1.058 400 Y CA -1.268 56.754 58.100 -0.131 0.000 1.194 400 Y CB -0.251 38.150 38.460 -0.099 0.000 1.193 400 Y HN 0.033 nan 8.280 nan 0.000 0.562 401 Y N -0.936 119.442 120.300 0.131 0.000 3.790 401 Y HA -0.331 4.219 4.550 0.000 0.000 0.226 401 Y C 0.732 176.728 175.900 0.160 0.000 1.257 401 Y CA 0.350 58.532 58.100 0.137 0.000 1.765 401 Y CB -2.153 36.411 38.460 0.172 0.000 1.552 401 Y HN 0.482 nan 8.280 nan 0.000 0.650 402 N N -1.055 117.759 118.700 0.190 0.000 2.681 402 N HA -0.125 4.615 4.740 0.000 0.000 0.259 402 N C -2.469 173.189 175.510 0.247 0.000 1.066 402 N CA 0.744 53.902 53.050 0.179 0.000 0.717 402 N CB 0.133 38.701 38.487 0.135 0.000 0.885 402 N HN 0.441 nan 8.380 nan 0.000 0.547 403 P HA 0.188 nan 4.420 nan 0.000 0.274 403 P C -0.102 177.361 177.300 0.272 0.000 1.246 403 P CA -0.709 62.612 63.100 0.368 0.000 0.795 403 P CB 0.713 32.657 31.700 0.407 0.000 1.006 404 L N 1.897 123.305 121.223 0.309 0.000 2.290 404 L HA 0.399 4.739 4.340 0.000 0.000 0.284 404 L C -0.519 176.501 176.870 0.249 0.000 1.078 404 L CA -0.086 54.891 54.840 0.229 0.000 0.815 404 L CB -0.497 41.744 42.059 0.303 0.000 1.162 404 L HN 0.216 nan 8.230 nan 0.000 0.435 405 I N 5.183 125.778 120.570 0.041 0.000 2.569 405 I HA 0.381 4.551 4.170 0.000 0.000 0.296 405 I C -1.284 174.656 176.117 -0.295 0.000 1.028 405 I CA -0.587 60.730 61.300 0.028 0.000 1.082 405 I CB 1.874 39.869 38.000 -0.008 0.000 1.264 405 I HN 0.479 nan 8.210 nan 0.000 0.429 406 Y N 3.938 124.272 120.300 0.057 0.000 2.391 406 Y HA 0.411 4.961 4.550 0.000 0.000 0.341 406 Y C -0.183 175.653 175.900 -0.106 0.000 0.965 406 Y CA -0.940 57.075 58.100 -0.141 0.000 1.067 406 Y CB 1.967 40.254 38.460 -0.289 0.000 1.199 406 Y HN 0.102 nan 8.280 nan 0.000 0.450 407 V N 3.517 123.422 119.914 -0.015 0.000 2.397 407 V HA 0.017 4.137 4.120 0.000 0.000 0.262 407 V C 0.766 176.775 176.094 -0.142 0.000 1.047 407 V CA 0.515 62.802 62.300 -0.023 0.000 1.003 407 V CB 0.110 31.999 31.823 0.109 0.000 1.037 407 V HN 1.050 nan 8.190 nan 0.000 0.480 408 T N 1.346 115.836 114.554 -0.107 0.000 3.065 408 T HA 0.261 4.612 4.350 0.000 0.000 0.252 408 T C 0.364 175.003 174.700 -0.102 0.000 1.099 408 T CA 0.083 62.109 62.100 -0.124 0.000 1.063 408 T CB 0.213 69.062 68.868 -0.031 0.000 0.948 408 T HN 0.684 nan 8.240 nan 0.000 0.506 409 E N 0.734 120.839 120.200 -0.158 0.000 2.375 409 E HA 0.468 4.818 4.350 0.000 0.000 0.280 409 E C -1.455 174.913 176.600 -0.388 0.000 0.972 409 E CA -0.865 55.442 56.400 -0.154 0.000 0.782 409 E CB 1.913 31.541 29.700 -0.119 0.000 1.229 409 E HN 0.194 nan 8.360 nan 0.000 0.439 410 N N 1.224 119.715 118.700 -0.349 0.000 2.929 410 N HA 0.417 5.157 4.740 0.000 0.000 0.245 410 N C -1.418 174.128 175.510 0.061 0.000 1.081 410 N CA -0.087 52.759 53.050 -0.339 0.000 1.048 410 N CB 1.813 40.262 38.487 -0.062 0.000 1.629 410 N HN 0.676 nan 8.380 nan 0.000 0.598 411 G N 1.892 110.828 108.800 0.228 0.000 2.428 411 G HA2 0.510 4.470 3.960 0.000 0.000 0.304 411 G HA3 0.510 4.470 3.960 0.000 0.000 0.304 411 G C -2.052 172.869 174.900 0.035 0.000 1.303 411 G CA -0.560 44.722 45.100 0.304 0.000 0.825 411 G HN 0.569 nan 8.290 nan 0.000 0.484 412 I N 0.009 120.534 120.570 -0.076 0.000 2.918 412 I HA 0.627 4.797 4.170 0.000 0.000 0.301 412 I C -0.038 175.575 176.117 -0.841 0.000 1.312 412 I CA -0.753 60.190 61.300 -0.595 0.000 1.007 412 I CB 2.262 39.677 38.000 -0.975 0.000 1.281 412 I HN 0.921 nan 8.210 nan 0.000 0.440 413 S N 3.304 118.160 115.700 -1.407 0.000 2.646 413 S HA 0.789 5.259 4.470 0.000 0.000 0.276 413 S C -0.332 173.874 174.600 -0.656 0.000 1.222 413 S CA -0.135 57.254 58.200 -1.351 0.000 1.014 413 S CB 1.568 63.912 63.200 -1.426 0.000 0.991 413 S HN 0.723 nan 8.310 nan 0.000 0.533 414 T N -1.159 113.144 114.554 -0.419 0.000 2.893 414 T HA 0.665 5.015 4.350 0.000 0.000 0.291 414 T C -3.307 171.302 174.700 -0.152 0.000 1.028 414 T CA -2.309 59.657 62.100 -0.224 0.000 0.995 414 T CB 1.026 69.820 68.868 -0.124 0.000 1.051 414 T HN 0.421 nan 8.240 nan 0.000 0.470 415 P HA 0.176 nan 4.420 nan 0.000 0.265 415 P C 1.191 178.502 177.300 0.018 0.000 1.187 415 P CA -0.017 63.055 63.100 -0.046 0.000 0.766 415 P CB 0.176 31.859 31.700 -0.027 0.000 0.820 416 G N 1.528 110.358 108.800 0.050 0.000 2.534 416 G HA2 -0.174 3.786 3.960 0.000 0.000 0.217 416 G HA3 -0.174 3.786 3.960 0.000 0.000 0.217 416 G C 1.575 176.545 174.900 0.117 0.000 1.128 416 G CA 0.287 45.462 45.100 0.125 0.000 0.784 416 G HN 0.430 nan 8.290 nan 0.000 0.542 417 S N 0.172 115.916 115.700 0.073 0.000 2.368 417 S HA -0.007 4.463 4.470 0.000 0.000 0.225 417 S C 1.143 175.781 174.600 0.063 0.000 1.030 417 S CA 0.279 58.516 58.200 0.062 0.000 0.999 417 S CB -0.087 63.136 63.200 0.038 0.000 0.844 417 S HN 0.600 nan 8.310 nan 0.000 0.459 418 E N 2.204 122.436 120.200 0.054 0.000 2.508 418 E HA -0.057 4.293 4.350 0.000 0.000 0.266 418 E C 0.154 176.791 176.600 0.062 0.000 1.010 418 E CA 0.004 56.431 56.400 0.045 0.000 0.955 418 E CB 0.167 29.887 29.700 0.034 0.000 0.946 418 E HN 0.525 nan 8.360 nan 0.000 0.454 419 N N 1.083 119.803 118.700 0.033 0.000 2.405 419 N HA 0.048 4.788 4.740 0.000 0.000 0.269 419 N C 0.736 176.232 175.510 -0.023 0.000 1.249 419 N CA -0.493 52.571 53.050 0.024 0.000 0.974 419 N CB 0.532 39.021 38.487 0.003 0.000 1.204 419 N HN 0.393 nan 8.380 nan 0.000 0.565 420 R N -0.082 120.371 120.500 -0.078 0.000 2.080 420 R HA -0.137 4.203 4.340 0.000 0.000 0.236 420 R C 1.373 177.476 176.300 -0.328 0.000 1.137 420 R CA 1.757 57.668 56.100 -0.315 0.000 0.943 420 R CB -0.184 29.922 30.300 -0.323 0.000 0.846 420 R HN 0.619 nan 8.270 nan 0.000 0.431 421 K N 0.033 120.322 120.400 -0.185 0.000 2.097 421 K HA -0.143 4.177 4.320 0.000 0.000 0.206 421 K C 2.039 178.573 176.600 -0.110 0.000 1.049 421 K CA 1.884 58.084 56.287 -0.145 0.000 0.933 421 K CB 0.011 32.461 32.500 -0.084 0.000 0.717 421 K HN 0.374 nan 8.250 nan 0.000 0.442 422 E N 0.195 120.350 120.200 -0.074 0.000 2.072 422 E HA -0.106 4.244 4.350 0.000 0.000 0.191 422 E C 2.042 178.609 176.600 -0.054 0.000 0.985 422 E CA 1.071 57.448 56.400 -0.037 0.000 0.801 422 E CB 0.047 29.742 29.700 -0.009 0.000 0.750 422 E HN 0.125 nan 8.360 nan 0.000 0.452 423 S N 0.749 116.405 115.700 -0.072 0.000 2.368 423 S HA -0.132 4.338 4.470 0.000 0.000 0.225 423 S C 1.913 176.455 174.600 -0.095 0.000 1.030 423 S CA 0.989 59.166 58.200 -0.038 0.000 0.999 423 S CB -0.055 63.184 63.200 0.065 0.000 0.844 423 S HN 0.228 nan 8.310 nan 0.000 0.459 424 M N 0.714 120.190 119.600 -0.206 0.000 2.229 424 M HA 0.085 4.565 4.480 0.000 0.000 0.264 424 M C 0.793 176.983 176.300 -0.182 0.000 1.063 424 M CA 1.012 56.195 55.300 -0.195 0.000 1.114 424 M CB -1.122 31.337 32.600 -0.236 0.000 1.387 424 M HN 0.229 nan 8.290 nan 0.000 0.420 425 L N 2.728 123.847 121.223 -0.174 0.000 2.648 425 L HA 0.035 4.375 4.340 0.000 0.000 0.238 425 L C 0.046 176.730 176.870 -0.309 0.000 1.316 425 L CA -0.478 54.197 54.840 -0.276 0.000 1.241 425 L CB -0.591 41.443 42.059 -0.042 0.000 1.499 425 L HN 0.201 nan 8.230 nan 0.000 0.411 426 D N -1.240 118.971 120.400 -0.314 0.000 2.896 426 D HA -0.054 4.586 4.640 0.000 0.000 0.240 426 D C 0.864 177.067 176.300 -0.161 0.000 1.193 426 D CA -0.471 53.432 54.000 -0.160 0.000 0.983 426 D CB 0.132 40.876 40.800 -0.093 0.000 1.074 426 D HN 0.240 nan 8.370 nan 0.000 0.496 427 Y N 0.834 121.144 120.300 0.018 0.000 2.333 427 Y HA -0.220 4.330 4.550 0.000 0.000 0.290 427 Y C 2.815 178.733 175.900 0.030 0.000 1.144 427 Y CA 1.601 59.710 58.100 0.016 0.000 1.228 427 Y CB -0.713 37.762 38.460 0.025 0.000 0.985 427 Y HN 0.318 nan 8.280 nan 0.000 0.542 428 T N -1.580 113.080 114.554 0.177 0.000 2.881 428 T HA -0.221 4.129 4.350 0.000 0.000 0.270 428 T C 1.901 176.676 174.700 0.125 0.000 1.068 428 T CA 1.372 63.576 62.100 0.173 0.000 1.131 428 T CB -0.267 68.680 68.868 0.132 0.000 0.871 428 T HN 0.369 nan 8.240 nan 0.000 0.479 429 R N 0.701 121.225 120.500 0.040 0.000 2.093 429 R HA 0.197 4.537 4.340 0.000 0.000 0.224 429 R C 2.422 178.713 176.300 -0.016 0.000 1.101 429 R CA 0.751 56.862 56.100 0.017 0.000 0.979 429 R CB -0.384 29.907 30.300 -0.015 0.000 0.877 429 R HN 0.440 nan 8.270 nan 0.000 0.441 430 I N 1.329 121.839 120.570 -0.100 0.000 2.163 430 I HA -0.300 3.870 4.170 0.000 0.000 0.243 430 I C 1.551 177.423 176.117 -0.408 0.000 1.085 430 I CA 1.438 62.495 61.300 -0.406 0.000 1.347 430 I CB -0.355 37.409 38.000 -0.393 0.000 1.044 430 I HN 0.211 nan 8.210 nan 0.000 0.408 431 D N -0.061 120.272 120.400 -0.112 0.000 2.117 431 D HA -0.227 4.413 4.640 0.000 0.000 0.197 431 D C 1.925 178.101 176.300 -0.206 0.000 0.987 431 D CA 1.336 55.303 54.000 -0.055 0.000 0.829 431 D CB -0.360 40.643 40.800 0.339 0.000 0.961 431 D HN 0.367 nan 8.370 nan 0.000 0.460 432 Y N 1.196 121.410 120.300 -0.143 0.000 2.114 432 Y HA -0.137 4.413 4.550 0.000 0.000 0.284 432 Y C 2.170 178.040 175.900 -0.050 0.000 1.143 432 Y CA 1.388 59.365 58.100 -0.206 0.000 1.135 432 Y CB -0.328 37.959 38.460 -0.288 0.000 0.980 432 Y HN -0.093 nan 8.280 nan 0.000 0.499 433 L N -0.280 120.978 121.223 0.058 0.000 2.017 433 L HA -0.244 4.096 4.340 0.000 0.000 0.208 433 L C 2.888 179.693 176.870 -0.109 0.000 1.073 433 L CA 1.448 56.320 54.840 0.053 0.000 0.745 433 L CB -1.145 40.982 42.059 0.113 0.000 0.894 433 L HN 0.561 nan 8.230 nan 0.000 0.432 434 c N -1.366 117.027 118.600 -0.345 0.000 2.440 434 c HA -0.057 4.513 4.570 0.000 0.000 0.278 434 c C 3.195 177.175 174.090 -0.183 0.000 1.295 434 c CA 0.265 56.451 56.329 -0.238 0.000 1.738 434 c CB -1.184 41.113 42.510 -0.354 0.000 1.987 434 c HN 0.609 nan 8.230 nan 0.000 0.492 435 S N 0.760 116.246 115.700 -0.356 0.000 2.383 435 S HA -0.217 4.253 4.470 0.000 0.000 0.227 435 S C 1.547 176.009 174.600 -0.230 0.000 1.026 435 S CA 1.770 59.721 58.200 -0.415 0.000 0.981 435 S CB -1.073 61.547 63.200 -0.968 0.000 0.818 435 S HN 0.795 nan 8.310 nan 0.000 0.472 436 H N 1.315 120.276 119.070 -0.182 0.000 2.363 436 H HA 0.275 4.831 4.556 0.000 0.000 0.301 436 H C 2.032 177.377 175.328 0.028 0.000 1.074 436 H CA 1.445 57.466 56.048 -0.046 0.000 1.354 436 H CB -0.316 29.378 29.762 -0.114 0.000 1.397 436 H HN 0.240 nan 8.280 nan 0.000 0.516 437 L N -0.653 120.595 121.223 0.042 0.000 2.083 437 L HA -0.235 4.105 4.340 0.000 0.000 0.209 437 L C 2.626 179.614 176.870 0.198 0.000 1.083 437 L CA 0.876 55.748 54.840 0.054 0.000 0.752 437 L CB -0.360 41.636 42.059 -0.106 0.000 0.899 437 L HN 0.471 nan 8.230 nan 0.000 0.433 438 c N -0.116 118.527 118.600 0.073 0.000 2.413 438 c HA -0.235 4.335 4.570 0.000 0.000 0.277 438 c C 2.715 176.743 174.090 -0.102 0.000 1.228 438 c CA 0.750 57.051 56.329 -0.047 0.000 1.731 438 c CB -0.862 41.547 42.510 -0.168 0.000 2.042 438 c HN 0.460 nan 8.230 nan 0.000 0.468 439 F N 0.408 120.343 119.950 -0.025 0.000 2.171 439 F HA -0.038 4.489 4.527 0.000 0.000 0.300 439 F C 2.052 177.896 175.800 0.074 0.000 1.090 439 F CA 1.542 59.551 58.000 0.015 0.000 1.293 439 F CB -0.803 38.161 39.000 -0.061 0.000 1.013 439 F HN 0.192 nan 8.300 nan 0.000 0.486 440 L N 0.659 122.032 121.223 0.251 0.000 1.994 440 L HA -0.255 4.085 4.340 0.000 0.000 0.208 440 L C 2.195 179.133 176.870 0.114 0.000 1.071 440 L CA 1.958 56.930 54.840 0.219 0.000 0.745 440 L CB -1.207 41.036 42.059 0.305 0.000 0.892 440 L HN 0.117 nan 8.230 nan 0.000 0.431 441 N N -0.130 118.549 118.700 -0.034 0.000 2.094 441 N HA -0.296 4.444 4.740 0.000 0.000 0.191 441 N C 1.966 177.339 175.510 -0.227 0.000 1.023 441 N CA 1.978 54.726 53.050 -0.503 0.000 0.857 441 N CB -0.244 37.751 38.487 -0.820 0.000 1.013 441 N HN 0.423 nan 8.380 nan 0.000 0.426 442 K N -0.413 119.941 120.400 -0.077 0.000 2.057 442 K HA -0.068 4.252 4.320 0.000 0.000 0.207 442 K C 1.811 178.491 176.600 0.134 0.000 1.049 442 K CA 1.084 57.391 56.287 0.035 0.000 0.931 442 K CB -0.295 32.242 32.500 0.063 0.000 0.714 442 K HN 0.123 nan 8.250 nan 0.000 0.440 443 V N 1.038 120.995 119.914 0.071 0.000 2.591 443 V HA -0.126 3.994 4.120 0.000 0.000 0.249 443 V C 1.937 177.931 176.094 -0.166 0.000 1.053 443 V CA 1.168 63.284 62.300 -0.307 0.000 1.068 443 V CB -0.143 31.287 31.823 -0.657 0.000 0.689 443 V HN 0.305 nan 8.190 nan 0.000 0.462 444 I N -0.294 120.229 120.570 -0.078 0.000 2.226 444 I HA -0.231 3.939 4.170 0.000 0.000 0.245 444 I C 2.535 178.621 176.117 -0.051 0.000 1.100 444 I CA 1.711 62.987 61.300 -0.040 0.000 1.374 444 I CB -0.373 37.622 38.000 -0.008 0.000 1.057 444 I HN 0.227 nan 8.210 nan 0.000 0.413 445 K N 0.451 120.808 120.400 -0.073 0.000 2.103 445 K HA -0.119 4.201 4.320 0.000 0.000 0.204 445 K C 1.923 178.512 176.600 -0.019 0.000 1.052 445 K CA 1.243 57.497 56.287 -0.055 0.000 0.945 445 K CB -0.032 32.419 32.500 -0.082 0.000 0.722 445 K HN 0.405 nan 8.250 nan 0.000 0.443 446 E N 0.172 120.375 120.200 0.005 0.000 2.190 446 E HA -0.022 4.328 4.350 0.000 0.000 0.191 446 E C 1.402 178.012 176.600 0.016 0.000 0.978 446 E CA 0.572 56.998 56.400 0.043 0.000 0.839 446 E CB 0.374 30.163 29.700 0.148 0.000 0.787 446 E HN 0.026 nan 8.360 nan 0.000 0.473 447 K N 0.484 120.857 120.400 -0.045 0.000 2.374 447 K HA 0.035 4.355 4.320 0.000 0.000 0.202 447 K C -0.193 176.383 176.600 -0.041 0.000 1.040 447 K CA 0.154 56.404 56.287 -0.061 0.000 1.085 447 K CB 0.699 33.103 32.500 -0.160 0.000 0.873 447 K HN -0.048 nan 8.250 nan 0.000 0.539 448 D N 0.964 121.346 120.400 -0.030 0.000 2.772 448 D HA -0.138 4.502 4.640 0.000 0.000 0.233 448 D C -0.759 175.543 176.300 0.004 0.000 1.143 448 D CA 0.279 54.275 54.000 -0.006 0.000 0.700 448 D CB -1.375 39.430 40.800 0.008 0.000 1.076 448 D HN -0.123 nan 8.370 nan 0.000 0.430 449 V N 1.007 120.912 119.914 -0.014 0.000 2.655 449 V HA 0.058 4.178 4.120 0.000 0.000 0.300 449 V C 1.354 177.473 176.094 0.040 0.000 1.044 449 V CA -0.114 62.193 62.300 0.011 0.000 1.095 449 V CB 1.255 33.068 31.823 -0.017 0.000 0.952 449 V HN 0.305 nan 8.190 nan 0.000 0.485 450 N N 4.135 122.868 118.700 0.055 0.000 3.245 450 N HA 0.116 4.856 4.740 0.000 0.000 0.296 450 N C -0.672 174.838 175.510 0.000 0.000 1.254 450 N CA -0.006 53.073 53.050 0.049 0.000 1.190 450 N CB -0.031 38.498 38.487 0.070 0.000 1.460 450 N HN 0.454 nan 8.380 nan 0.000 0.538 451 V N 2.722 122.654 119.914 0.030 0.000 2.432 451 V HA 0.229 4.349 4.120 0.000 0.000 0.275 451 V C 1.111 177.153 176.094 -0.088 0.000 1.043 451 V CA -0.273 62.013 62.300 -0.023 0.000 0.925 451 V CB 1.492 33.414 31.823 0.166 0.000 0.985 451 V HN 0.364 nan 8.190 nan 0.000 0.466 452 K N 2.991 123.004 120.400 -0.645 0.000 2.413 452 K HA 0.444 4.764 4.320 0.000 0.000 0.204 452 K C 0.510 176.292 176.600 -1.362 0.000 1.041 452 K CA 0.140 55.947 56.287 -0.800 0.000 1.082 452 K CB 1.394 33.537 32.500 -0.594 0.000 0.871 452 K HN 0.872 nan 8.250 nan 0.000 0.535 453 G N 0.461 108.340 108.800 -1.534 0.000 2.523 453 G HA2 0.336 4.296 3.960 0.000 0.000 0.291 453 G HA3 0.336 4.296 3.960 0.000 0.000 0.291 453 G C -2.457 172.057 174.900 -0.644 0.000 1.450 453 G CA -0.595 43.687 45.100 -1.364 0.000 0.790 453 G HN 0.059 nan 8.290 nan 0.000 0.496 454 Y N 0.066 120.070 120.300 -0.494 0.000 2.401 454 Y HA 0.690 5.240 4.550 0.000 0.000 0.330 454 Y C -1.597 174.299 175.900 -0.007 0.000 1.071 454 Y CA -1.038 57.017 58.100 -0.075 0.000 1.049 454 Y CB 1.657 40.261 38.460 0.241 0.000 1.239 454 Y HN 0.492 nan 8.280 nan 0.000 0.437 455 L N 6.682 127.611 121.223 -0.490 0.000 2.377 455 L HA 0.740 5.080 4.340 0.000 0.000 0.270 455 L C -0.079 176.527 176.870 -0.440 0.000 0.991 455 L CA -1.074 53.578 54.840 -0.312 0.000 0.851 455 L CB 1.607 43.506 42.059 -0.266 0.000 1.218 455 L HN 0.837 nan 8.230 nan 0.000 0.420 456 A N 3.528 126.141 122.820 -0.346 0.000 2.462 456 A HA 0.125 4.445 4.320 0.000 0.000 0.243 456 A C -0.674 176.914 177.584 0.007 0.000 1.076 456 A CA -0.221 51.677 52.037 -0.232 0.000 0.773 456 A CB 0.430 19.338 19.000 -0.154 0.000 1.010 456 A HN 0.822 nan 8.150 nan 0.000 0.493 457 W N 2.518 123.769 121.300 -0.082 0.000 2.338 457 W HA 0.535 5.195 4.660 0.000 0.000 0.307 457 W C -0.314 176.269 176.519 0.106 0.000 1.167 457 W CA -0.069 57.282 57.345 0.010 0.000 1.208 457 W CB 1.313 30.798 29.460 0.042 0.000 1.228 457 W HN 0.894 nan 8.180 nan 0.000 0.499 458 A N 5.573 128.204 122.820 -0.315 0.000 2.435 458 A HA 0.376 4.696 4.320 0.000 0.000 0.296 458 A C 0.220 177.609 177.584 -0.326 0.000 1.147 458 A CA -0.726 50.815 52.037 -0.826 0.000 0.775 458 A CB 1.686 19.845 19.000 -1.402 0.000 1.340 458 A HN 0.867 nan 8.150 nan 0.000 0.427 459 L N 0.283 121.347 121.223 -0.265 0.000 2.042 459 L HA 0.180 4.520 4.340 0.000 0.000 0.210 459 L C 0.906 177.719 176.870 -0.095 0.000 1.076 459 L CA 1.985 56.766 54.840 -0.098 0.000 0.749 459 L CB -0.093 41.938 42.059 -0.047 0.000 0.893 459 L HN 0.899 nan 8.230 nan 0.000 0.432 460 G N -1.801 106.925 108.800 -0.122 0.000 2.682 460 G HA2 0.286 4.246 3.960 0.000 0.000 0.290 460 G HA3 0.286 4.246 3.960 0.000 0.000 0.290 460 G C -1.824 173.057 174.900 -0.031 0.000 1.425 460 G CA -0.699 44.359 45.100 -0.071 0.000 0.807 460 G HN -0.060 nan 8.290 nan 0.000 0.482 461 D N 0.225 120.628 120.400 0.004 0.000 2.423 461 D HA 0.347 4.987 4.640 0.000 0.000 0.238 461 D C 0.329 176.878 176.300 0.415 0.000 1.142 461 D CA 0.620 54.729 54.000 0.183 0.000 0.884 461 D CB 1.286 42.153 40.800 0.111 0.000 1.199 461 D HN 0.582 nan 8.370 nan 0.000 0.438 462 N N -0.728 118.245 118.700 0.456 0.000 3.243 462 N HA 0.174 4.914 4.740 0.000 0.000 0.280 462 N C -1.530 174.003 175.510 0.037 0.000 1.545 462 N CA -0.943 52.322 53.050 0.359 0.000 0.854 462 N CB 0.330 38.884 38.487 0.112 0.000 1.612 462 N HN 0.312 nan 8.380 nan 0.000 0.577 463 Y N 0.547 120.666 120.300 -0.303 0.000 2.436 463 Y HA 0.349 4.899 4.550 0.000 0.000 0.336 463 Y C -0.071 175.519 175.900 -0.517 0.000 1.049 463 Y CA -0.309 57.285 58.100 -0.843 0.000 1.294 463 Y CB 0.594 38.653 38.460 -0.667 0.000 1.179 463 Y HN 0.715 nan 8.280 nan 0.000 0.520 464 E N 5.853 125.350 120.200 -1.172 0.000 2.174 464 E HA 0.262 4.612 4.350 0.000 0.000 0.282 464 E C -1.422 174.505 176.600 -1.122 0.000 0.992 464 E CA -0.519 55.409 56.400 -0.786 0.000 0.803 464 E CB 0.159 29.723 29.700 -0.228 0.000 1.090 464 E HN 0.487 nan 8.360 nan 0.000 0.396 465 F N 4.805 124.391 119.950 -0.607 0.000 2.612 465 F HA -0.005 4.523 4.527 0.000 0.000 0.389 465 F C 1.276 177.035 175.800 -0.070 0.000 1.055 465 F CA 1.445 59.254 58.000 -0.317 0.000 1.232 465 F CB -0.194 38.678 39.000 -0.213 0.000 1.044 465 F HN 0.823 nan 8.300 nan 0.000 0.560 466 N N -0.243 118.691 118.700 0.391 0.000 2.921 466 N HA -0.266 4.474 4.740 0.000 0.000 0.205 466 N C 0.415 176.027 175.510 0.169 0.000 0.945 466 N CA 1.299 54.558 53.050 0.349 0.000 1.048 466 N CB -0.881 37.786 38.487 0.301 0.000 0.981 466 N HN 0.565 nan 8.380 nan 0.000 0.590 467 N N 0.303 118.992 118.700 -0.018 0.000 2.184 467 N HA 0.251 4.992 4.740 0.000 0.000 0.206 467 N C 1.403 176.822 175.510 -0.151 0.000 1.151 467 N CA 1.005 54.022 53.050 -0.056 0.000 0.878 467 N CB 0.719 39.172 38.487 -0.057 0.000 1.014 467 N HN 0.519 nan 8.380 nan 0.000 0.512 468 G N 1.892 110.511 108.800 -0.301 0.000 2.622 468 G HA2 -0.346 3.614 3.960 0.000 0.000 0.307 468 G HA3 -0.346 3.614 3.960 0.000 0.000 0.307 468 G C 0.055 174.463 174.900 -0.821 0.000 1.226 468 G CA 0.457 45.369 45.100 -0.314 0.000 0.997 468 G HN 0.277 nan 8.290 nan 0.000 0.551 469 F N 2.071 121.953 119.950 -0.113 0.000 2.684 469 F HA 0.330 4.857 4.527 0.000 0.000 0.298 469 F C 2.454 178.223 175.800 -0.051 0.000 1.120 469 F CA 0.895 58.769 58.000 -0.210 0.000 1.332 469 F CB 0.546 39.215 39.000 -0.551 0.000 0.986 469 F HN 0.544 nan 8.300 nan 0.000 0.524 470 T N -2.270 112.302 114.554 0.030 0.000 3.085 470 T HA 0.143 4.493 4.350 0.000 0.000 0.263 470 T C 0.592 175.313 174.700 0.034 0.000 1.127 470 T CA 0.693 62.827 62.100 0.056 0.000 1.103 470 T CB -0.705 68.187 68.868 0.040 0.000 0.921 470 T HN 0.043 nan 8.240 nan 0.000 0.510 471 V N -2.252 117.670 119.914 0.012 0.000 3.102 471 V HA 0.778 4.899 4.120 0.000 0.000 0.312 471 V C -1.097 175.021 176.094 0.040 0.000 1.135 471 V CA -1.819 60.463 62.300 -0.029 0.000 1.022 471 V CB 2.125 33.876 31.823 -0.121 0.000 1.056 471 V HN 0.148 nan 8.190 nan 0.000 0.436 472 R N 1.250 121.735 120.500 -0.025 0.000 2.561 472 R HA 0.610 4.950 4.340 0.000 0.000 0.297 472 R C -1.072 175.198 176.300 -0.050 0.000 0.969 472 R CA -0.424 55.724 56.100 0.080 0.000 0.879 472 R CB 2.144 32.510 30.300 0.109 0.000 1.178 472 R HN 0.818 nan 8.270 nan 0.000 0.445 473 F N -0.070 119.909 119.950 0.047 0.000 2.706 473 F HA 0.263 4.790 4.527 0.000 0.000 0.313 473 F C 1.410 177.193 175.800 -0.027 0.000 1.096 473 F CA -0.307 57.720 58.000 0.044 0.000 1.219 473 F CB 1.183 40.305 39.000 0.204 0.000 1.051 473 F HN 0.652 nan 8.300 nan 0.000 0.568 474 G N 0.250 109.123 108.800 0.121 0.000 2.483 474 G HA2 0.300 4.260 3.960 0.000 0.000 0.248 474 G HA3 0.300 4.260 3.960 0.000 0.000 0.248 474 G C 0.498 175.416 174.900 0.030 0.000 1.248 474 G CA -0.311 44.802 45.100 0.023 0.000 0.838 474 G HN 0.112 nan 8.290 nan 0.000 0.566 475 L N 1.056 122.287 121.223 0.013 0.000 2.492 475 L HA 0.160 4.500 4.340 0.000 0.000 0.223 475 L C 1.684 178.578 176.870 0.041 0.000 1.132 475 L CA 0.849 55.713 54.840 0.041 0.000 0.850 475 L CB -0.249 41.843 42.059 0.055 0.000 0.966 475 L HN 0.576 nan 8.230 nan 0.000 0.454 476 S N -2.346 113.365 115.700 0.018 0.000 2.526 476 S HA 0.473 4.943 4.470 0.000 0.000 0.293 476 S C -0.940 173.667 174.600 0.013 0.000 1.092 476 S CA -0.731 57.477 58.200 0.015 0.000 0.980 476 S CB 1.365 64.553 63.200 -0.020 0.000 1.048 476 S HN 0.057 nan 8.310 nan 0.000 0.483 477 Y N 2.819 123.052 120.300 -0.110 0.000 2.304 477 Y HA 0.687 5.237 4.550 0.000 0.000 0.328 477 Y C -0.756 174.998 175.900 -0.244 0.000 1.123 477 Y CA -0.798 57.208 58.100 -0.156 0.000 1.218 477 Y CB 0.657 39.033 38.460 -0.140 0.000 1.207 477 Y HN 0.709 nan 8.280 nan 0.000 0.495 478 I N 6.135 126.058 120.570 -1.078 0.000 2.466 478 I HA 0.191 4.361 4.170 0.000 0.000 0.289 478 I C -0.867 174.279 176.117 -1.620 0.000 1.026 478 I CA -1.023 59.617 61.300 -1.099 0.000 1.078 478 I CB 1.568 38.976 38.000 -0.987 0.000 1.249 478 I HN 0.610 nan 8.210 nan 0.000 0.429 479 N N 5.389 123.510 118.700 -0.965 0.000 2.408 479 N HA 0.098 4.838 4.740 0.000 0.000 0.257 479 N C 0.192 175.339 175.510 -0.606 0.000 1.064 479 N CA -0.083 52.578 53.050 -0.649 0.000 0.952 479 N CB 0.597 38.984 38.487 -0.166 0.000 1.093 479 N HN 0.523 nan 8.380 nan 0.000 0.490 480 W N 2.289 123.482 121.300 -0.179 0.000 2.721 480 W HA 0.057 4.717 4.660 0.000 0.000 0.245 480 W C 1.157 177.590 176.519 -0.142 0.000 1.276 480 W CA -0.426 56.800 57.345 -0.198 0.000 1.342 480 W CB 0.203 29.506 29.460 -0.262 0.000 1.135 480 W HN 0.513 nan 8.180 nan 0.000 0.654 481 N N -0.034 118.685 118.700 0.031 0.000 2.405 481 N HA -0.040 4.700 4.740 0.000 0.000 0.175 481 N C -0.075 175.434 175.510 -0.003 0.000 1.051 481 N CA 0.830 53.895 53.050 0.024 0.000 0.899 481 N CB 0.037 38.534 38.487 0.017 0.000 1.000 481 N HN -0.003 nan 8.380 nan 0.000 0.451 482 N N 0.291 118.963 118.700 -0.048 0.000 2.701 482 N HA 0.014 4.754 4.740 0.000 0.000 0.258 482 N C 0.235 175.664 175.510 -0.134 0.000 1.262 482 N CA -0.187 52.825 53.050 -0.064 0.000 0.780 482 N CB 0.749 39.196 38.487 -0.068 0.000 1.380 482 N HN -0.169 nan 8.380 nan 0.000 0.548 483 V N 0.720 120.584 119.914 -0.084 0.000 3.510 483 V HA 0.062 4.182 4.120 0.000 0.000 0.270 483 V C 1.542 177.480 176.094 -0.259 0.000 1.201 483 V CA 1.312 63.530 62.300 -0.136 0.000 1.166 483 V CB -0.919 30.952 31.823 0.079 0.000 0.825 483 V HN 0.449 nan 8.190 nan 0.000 0.484 484 T N 0.871 115.158 114.554 -0.444 0.000 2.652 484 T HA -0.121 4.229 4.350 0.000 0.000 0.267 484 T C 0.676 175.038 174.700 -0.563 0.000 1.039 484 T CA 1.877 63.421 62.100 -0.927 0.000 1.153 484 T CB -0.414 67.999 68.868 -0.758 0.000 0.863 484 T HN 0.594 nan 8.240 nan 0.000 0.428 485 D N 1.322 121.510 120.400 -0.352 0.000 2.341 485 D HA 0.392 5.032 4.640 0.000 0.000 0.245 485 D C 0.029 176.202 176.300 -0.213 0.000 1.106 485 D CA 0.083 53.935 54.000 -0.246 0.000 0.905 485 D CB 0.662 41.360 40.800 -0.170 0.000 1.202 485 D HN 0.082 nan 8.370 nan 0.000 0.426 486 R N 1.549 121.953 120.500 -0.160 0.000 2.388 486 R HA 0.350 4.690 4.340 0.000 0.000 0.314 486 R C -1.091 175.163 176.300 -0.077 0.000 0.959 486 R CA -0.616 55.409 56.100 -0.125 0.000 0.851 486 R CB 1.230 31.463 30.300 -0.111 0.000 1.168 486 R HN 0.174 nan 8.270 nan 0.000 0.472 487 D N 3.288 123.671 120.400 -0.028 0.000 2.303 487 D HA 0.198 4.838 4.640 0.000 0.000 0.236 487 D C 0.108 176.413 176.300 0.008 0.000 1.068 487 D CA -0.480 53.514 54.000 -0.010 0.000 0.830 487 D CB 1.658 42.463 40.800 0.007 0.000 1.109 487 D HN 0.267 nan 8.370 nan 0.000 0.496 488 L N 2.467 123.687 121.223 -0.006 0.000 2.559 488 L HA -0.026 4.314 4.340 0.000 0.000 0.274 488 L C 1.353 178.227 176.870 0.007 0.000 1.205 488 L CA 0.515 55.361 54.840 0.011 0.000 0.907 488 L CB 0.126 42.193 42.059 0.013 0.000 1.153 488 L HN 0.116 nan 8.230 nan 0.000 0.490 489 K N 2.884 123.294 120.400 0.017 0.000 2.273 489 K HA 0.145 4.465 4.320 0.000 0.000 0.240 489 K C 1.042 177.632 176.600 -0.017 0.000 1.056 489 K CA -0.883 55.394 56.287 -0.016 0.000 0.910 489 K CB 0.592 33.089 32.500 -0.005 0.000 1.196 489 K HN 0.352 nan 8.250 nan 0.000 0.509 490 K N 0.792 121.141 120.400 -0.084 0.000 2.103 490 K HA -0.151 4.169 4.320 0.000 0.000 0.207 490 K C 2.175 178.813 176.600 0.063 0.000 1.048 490 K CA 2.045 58.281 56.287 -0.084 0.000 0.930 490 K CB -0.476 31.807 32.500 -0.361 0.000 0.716 490 K HN 0.683 nan 8.250 nan 0.000 0.444 491 S N -0.143 115.595 115.700 0.064 0.000 2.368 491 S HA -0.086 4.385 4.470 0.000 0.000 0.224 491 S C 2.285 177.075 174.600 0.316 0.000 1.029 491 S CA 1.246 59.582 58.200 0.227 0.000 0.988 491 S CB -0.837 62.441 63.200 0.129 0.000 0.838 491 S HN 0.332 nan 8.310 nan 0.000 0.462 492 G N 1.204 110.112 108.800 0.179 0.000 2.408 492 G HA2 -0.131 3.829 3.960 0.000 0.000 0.217 492 G HA3 -0.131 3.829 3.960 0.000 0.000 0.217 492 G C 1.537 176.529 174.900 0.154 0.000 1.150 492 G CA 0.678 45.884 45.100 0.176 0.000 0.776 492 G HN 0.615 nan 8.290 nan 0.000 0.542 493 Q N -1.130 118.746 119.800 0.126 0.000 2.119 493 Q HA -0.113 4.227 4.340 0.000 0.000 0.201 493 Q C 2.157 178.234 176.000 0.129 0.000 0.972 493 Q CA 1.269 57.128 55.803 0.095 0.000 0.847 493 Q CB -0.243 28.542 28.738 0.078 0.000 0.903 493 Q HN 0.696 nan 8.270 nan 0.000 0.433 494 W N 0.324 121.680 121.300 0.094 0.000 2.355 494 W HA -0.266 4.394 4.660 0.000 0.000 0.309 494 W C 1.906 178.555 176.519 0.216 0.000 1.206 494 W CA 1.279 58.703 57.345 0.132 0.000 1.284 494 W CB -0.566 28.965 29.460 0.118 0.000 1.145 494 W HN 0.134 nan 8.180 nan 0.000 0.502 495 Y N 1.694 121.694 120.300 -0.500 0.000 2.224 495 Y HA -0.268 4.282 4.550 0.000 0.000 0.289 495 Y C 2.763 178.417 175.900 -0.411 0.000 1.146 495 Y CA 2.513 60.151 58.100 -0.769 0.000 1.182 495 Y CB -1.140 37.165 38.460 -0.257 0.000 0.983 495 Y HN 0.279 nan 8.280 nan 0.000 0.524 496 Q N 0.171 119.863 119.800 -0.180 0.000 2.084 496 Q HA -0.260 4.080 4.340 0.000 0.000 0.202 496 Q C 2.299 178.164 176.000 -0.225 0.000 0.978 496 Q CA 2.064 57.753 55.803 -0.190 0.000 0.844 496 Q CB -0.178 28.511 28.738 -0.082 0.000 0.898 496 Q HN 0.464 nan 8.270 nan 0.000 0.426 497 K N -0.554 119.715 120.400 -0.219 0.000 2.116 497 K HA -0.116 4.204 4.320 0.000 0.000 0.203 497 K C 1.892 178.325 176.600 -0.278 0.000 1.052 497 K CA 0.830 57.004 56.287 -0.188 0.000 0.952 497 K CB -0.225 32.224 32.500 -0.085 0.000 0.729 497 K HN 0.213 nan 8.250 nan 0.000 0.446 498 F N 1.587 121.169 119.950 -0.613 0.000 2.126 498 F HA -0.187 4.340 4.527 0.000 0.000 0.299 498 F C 1.629 177.096 175.800 -0.555 0.000 1.096 498 F CA 1.527 59.153 58.000 -0.624 0.000 1.255 498 F CB -0.044 38.337 39.000 -1.031 0.000 0.997 498 F HN -0.043 nan 8.300 nan 0.000 0.479 499 I N -0.838 119.422 120.570 -0.517 0.000 2.353 499 I HA -0.158 4.012 4.170 0.000 0.000 0.248 499 I C 0.575 176.483 176.117 -0.349 0.000 1.119 499 I CA 0.977 61.972 61.300 -0.509 0.000 1.417 499 I CB -0.361 37.380 38.000 -0.433 0.000 1.078 499 I HN -0.024 nan 8.210 nan 0.000 0.421 500 S N 2.131 117.665 115.700 -0.277 0.000 2.060 500 S HA 0.324 4.794 4.470 0.000 0.000 0.156 500 S C -2.131 172.367 174.600 -0.171 0.000 1.690 500 S CA -1.024 57.066 58.200 -0.185 0.000 1.238 500 S CB 0.613 63.734 63.200 -0.132 0.000 1.150 500 S HN 0.109 nan 8.310 nan 0.000 0.437 501 P HA 0.000 nan 4.420 nan 0.000 0.216 501 P CA 0.000 63.009 63.100 -0.152 0.000 0.800 501 P CB 0.000 31.590 31.700 -0.184 0.000 0.726