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 3fn9_1_C DATA FIRST_RESID 22 DATA SEQUENCE LARQVTAFNT GWQFKKGPFA TDPMRAASQW DGKWETVEIP HTWNAMDMQV DATA SEQUENCE QSGSFYEGAG YYRKTQFFPH DLEGKRVFLR FEGVGACAEV YVNGKLAGTH DATA SEQUENCE KGGYSAFACE IGTALKLGAE NEIIVKADNK ARPDVIPVNQ NLFGVYGGIY DATA SEQUENCE RPVWLIVTEQ NNITVTDCAS PGVYITQKDV SKKSADITVK VKLDNAGLQP DATA SEQUENCE AAVTLENTIY TQEGQKVGTH SRSFDLSPQG TQTYLSTFKL KNPHLWQGRK DATA SEQUENCE DPYLYKVVCR LMADGKVIDE VVQPLGVRKY EIVAGKGFFL NGEKYSMYGV DATA SEQUENCE TRHQDWWGLG SALKNEHHDF DLAAIMDVGA TTVRFAHYQQ SDYLYSRCDT DATA SEQUENCE LGLIIWAEIP CVNRVTGYET ENAQSQLREL IRQSFNHPSI YVWGLHNEVY DATA SEQUENCE QPHEYTAALT RSLHDLAKTE DPDRYTVSVN GYGHMDHPVN LNADIQGMNR DATA SEQUENCE YFGWYEKKIQ DIKPWVEQLE KDYPYQKLML TEYGADANLA HQTEYLGDAL DATA SEQUENCE NWGKPFYPET FQTKTHEYQW SIIKDHPYII ASYLWNMFDF AVPMWTRGGV DATA SEQUENCE PARNMKGLIT FDRKTKKDSY FWYKANWSEE PVLYLTQRRN ADREKRTTAV DATA SEQUENCE TVYSNIGTPK VYLNGQELSG IRNGYTDVHY VFDNVSLADG KNILKAVVST DATA SEQUENCE KGKEYTDEIE WNYSGEKNRE IDS 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 22 L HA 0.000 nan 4.340 nan 0.000 0.249 22 L C 0.000 176.869 176.870 -0.001 0.000 1.165 22 L CA 0.000 54.835 54.840 -0.008 0.000 0.813 22 L CB 0.000 42.052 42.059 -0.011 0.000 0.961 23 A N 3.971 126.791 122.820 -0.001 0.000 1.973 23 A HA 0.281 4.601 4.320 0.000 0.000 0.210 23 A C 1.056 178.646 177.584 0.010 0.000 1.200 23 A CA 0.269 52.309 52.037 0.006 0.000 0.707 23 A CB 0.085 19.088 19.000 0.005 0.000 0.862 23 A HN 0.579 nan 8.150 nan 0.000 0.461 24 R N 1.259 121.759 120.500 -0.001 0.000 2.298 24 R HA 0.296 4.636 4.340 0.000 0.000 0.310 24 R C -1.042 175.260 176.300 0.004 0.000 1.068 24 R CA -0.163 55.937 56.100 -0.000 0.000 0.957 24 R CB 0.285 30.569 30.300 -0.027 0.000 1.003 24 R HN 0.458 nan 8.270 nan 0.000 0.454 25 Q N 2.863 122.680 119.800 0.028 0.000 2.303 25 Q HA 0.328 4.669 4.340 0.000 0.000 0.257 25 Q C -1.086 174.941 176.000 0.044 0.000 0.941 25 Q CA -0.581 55.246 55.803 0.041 0.000 0.931 25 Q CB 2.380 31.156 28.738 0.064 0.000 1.215 25 Q HN 0.314 nan 8.270 nan 0.000 0.437 26 V N 2.868 122.800 119.914 0.030 0.000 2.380 26 V HA 0.472 4.592 4.120 0.000 0.000 0.286 26 V C -0.356 175.823 176.094 0.141 0.000 1.015 26 V CA -0.576 61.742 62.300 0.029 0.000 0.834 26 V CB 1.600 33.341 31.823 -0.137 0.000 1.009 26 V HN 0.906 nan 8.190 nan 0.000 0.428 27 T N 2.031 116.755 114.554 0.283 0.000 2.886 27 T HA 0.808 5.159 4.350 0.000 0.000 0.292 27 T C 0.016 174.983 174.700 0.444 0.000 1.012 27 T CA -0.206 62.100 62.100 0.343 0.000 0.982 27 T CB 1.825 70.819 68.868 0.209 0.000 1.018 27 T HN 1.066 nan 8.240 nan 0.000 0.451 28 A N 2.196 125.225 122.820 0.349 0.000 2.587 28 A HA 0.417 4.737 4.320 0.000 0.000 0.233 28 A C -0.037 177.587 177.584 0.066 0.000 1.049 28 A CA -0.083 51.905 52.037 -0.081 0.000 0.754 28 A CB -0.535 18.360 19.000 -0.175 0.000 0.977 28 A HN 1.010 nan 8.150 nan 0.000 0.509 29 F N 1.546 121.352 119.950 -0.240 0.000 2.810 29 F HA 0.249 4.776 4.527 0.000 0.000 0.353 29 F C 0.894 176.744 175.800 0.083 0.000 1.227 29 F CA -0.598 57.370 58.000 -0.053 0.000 1.210 29 F CB 0.343 39.332 39.000 -0.018 0.000 1.039 29 F HN 0.643 nan 8.300 nan 0.000 0.509 30 N N -0.492 118.175 118.700 -0.055 0.000 2.415 30 N HA 0.013 4.753 4.740 0.000 0.000 0.176 30 N C 0.795 176.361 175.510 0.094 0.000 1.042 30 N CA 0.433 53.468 53.050 -0.025 0.000 0.902 30 N CB 0.020 38.407 38.487 -0.165 0.000 0.986 30 N HN 0.107 nan 8.380 nan 0.000 0.447 31 T N -0.529 114.007 114.554 -0.030 0.000 2.913 31 T HA 0.389 4.739 4.350 0.000 0.000 0.297 31 T C 1.068 175.689 174.700 -0.131 0.000 1.029 31 T CA 0.646 62.713 62.100 -0.055 0.000 1.104 31 T CB 0.971 69.771 68.868 -0.114 0.000 0.964 31 T HN 0.450 nan 8.240 nan 0.000 0.532 32 G N 1.742 110.491 108.800 -0.084 0.000 2.136 32 G HA2 -0.199 3.762 3.960 0.000 0.000 0.242 32 G HA3 -0.199 3.762 3.960 0.000 0.000 0.242 32 G C -0.154 174.633 174.900 -0.189 0.000 0.989 32 G CA -0.280 44.714 45.100 -0.177 0.000 0.682 32 G HN 0.616 nan 8.290 nan 0.000 0.522 33 W N 0.428 121.709 121.300 -0.032 0.000 2.375 33 W HA 0.709 5.369 4.660 0.000 0.000 0.336 33 W C 0.710 177.315 176.519 0.144 0.000 1.160 33 W CA -0.558 56.840 57.345 0.089 0.000 1.266 33 W CB 0.760 30.330 29.460 0.183 0.000 1.195 33 W HN 0.168 nan 8.180 nan 0.000 0.599 34 Q N 1.665 121.745 119.800 0.467 0.000 2.345 34 Q HA 0.588 4.928 4.340 0.000 0.000 0.268 34 Q C -1.440 174.969 176.000 0.682 0.000 1.054 34 Q CA -1.078 54.992 55.803 0.446 0.000 0.835 34 Q CB 2.835 31.751 28.738 0.296 0.000 1.339 34 Q HN 0.424 nan 8.270 nan 0.000 0.447 35 F N 1.064 121.194 119.950 0.300 0.000 2.593 35 F HA 0.685 5.212 4.527 0.000 0.000 0.320 35 F C -1.408 174.244 175.800 -0.247 0.000 1.060 35 F CA -0.814 57.181 58.000 -0.007 0.000 0.940 35 F CB 1.774 40.602 39.000 -0.287 0.000 1.268 35 F HN 0.328 nan 8.300 nan 0.000 0.475 36 K N 4.067 123.281 120.400 -1.977 0.000 2.762 36 K HA 0.240 4.560 4.320 0.000 0.000 0.272 36 K C -1.548 174.193 176.600 -1.431 0.000 1.093 36 K CA -0.459 54.832 56.287 -1.660 0.000 1.048 36 K CB 0.925 32.166 32.500 -2.099 0.000 1.304 36 K HN 0.695 nan 8.250 nan 0.000 0.511 37 K N 1.843 121.413 120.400 -1.384 0.000 2.237 37 K HA 0.499 4.819 4.320 0.000 0.000 0.270 37 K C 0.400 176.403 176.600 -0.994 0.000 1.015 37 K CA -0.063 55.663 56.287 -0.934 0.000 0.949 37 K CB 0.696 32.847 32.500 -0.583 0.000 0.976 37 K HN 0.714 nan 8.250 nan 0.000 0.472 38 G N 2.554 110.759 108.800 -0.993 0.000 2.494 38 G HA2 0.309 4.269 3.960 0.000 0.000 0.270 38 G HA3 0.309 4.269 3.960 0.000 0.000 0.270 38 G C -2.329 171.996 174.900 -0.959 0.000 1.423 38 G CA -0.936 43.436 45.100 -1.213 0.000 1.055 38 G HN 0.550 nan 8.290 nan 0.000 0.536 39 P HA 0.398 nan 4.420 nan 0.000 0.276 39 P C -1.307 175.673 177.300 -0.534 0.000 1.261 39 P CA -0.318 62.603 63.100 -0.298 0.000 0.800 39 P CB 0.899 32.576 31.700 -0.039 0.000 1.066 40 F N -0.618 119.342 119.950 0.017 0.000 2.480 40 F HA 0.536 5.063 4.527 0.000 0.000 0.329 40 F C 0.989 176.796 175.800 0.011 0.000 1.091 40 F CA -0.775 57.232 58.000 0.010 0.000 0.972 40 F CB 1.110 40.146 39.000 0.060 0.000 1.150 40 F HN 0.311 nan 8.300 nan 0.000 0.467 41 A N 1.251 124.179 122.820 0.180 0.000 2.492 41 A HA 0.209 4.529 4.320 0.000 0.000 0.236 41 A C 1.247 178.888 177.584 0.094 0.000 1.078 41 A CA 0.311 52.405 52.037 0.095 0.000 0.773 41 A CB 0.032 19.072 19.000 0.067 0.000 1.023 41 A HN 0.894 nan 8.150 nan 0.000 0.504 42 T N -0.379 114.209 114.554 0.057 0.000 3.043 42 T HA -0.012 4.338 4.350 0.000 0.000 0.263 42 T C 0.509 175.227 174.700 0.029 0.000 1.094 42 T CA 1.314 63.441 62.100 0.045 0.000 1.127 42 T CB -0.432 68.454 68.868 0.031 0.000 0.905 42 T HN 0.824 nan 8.240 nan 0.000 0.490 43 D N 0.428 120.844 120.400 0.026 0.000 2.249 43 D HA 0.247 4.887 4.640 0.000 0.000 0.246 43 D C -1.601 174.705 176.300 0.011 0.000 1.114 43 D CA -2.126 51.883 54.000 0.014 0.000 0.854 43 D CB 1.685 42.493 40.800 0.013 0.000 1.132 43 D HN -0.061 nan 8.370 nan 0.000 0.461 44 P HA -0.257 nan 4.420 nan 0.000 0.215 44 P C 1.678 178.975 177.300 -0.006 0.000 1.163 44 P CA 1.195 64.284 63.100 -0.018 0.000 0.894 44 P CB -0.057 31.627 31.700 -0.027 0.000 0.791 45 M N -0.804 118.796 119.600 0.000 0.000 2.163 45 M HA -0.302 4.178 4.480 0.000 0.000 0.258 45 M C 2.412 178.724 176.300 0.020 0.000 1.071 45 M CA 2.174 57.478 55.300 0.007 0.000 1.093 45 M CB -0.496 32.107 32.600 0.006 0.000 1.285 45 M HN -0.251 nan 8.290 nan 0.000 0.420 46 R N -0.099 120.414 120.500 0.023 0.000 2.073 46 R HA -0.142 4.198 4.340 0.000 0.000 0.234 46 R C 2.107 178.442 176.300 0.058 0.000 1.134 46 R CA 1.843 57.964 56.100 0.035 0.000 0.952 46 R CB -0.518 29.799 30.300 0.030 0.000 0.850 46 R HN 0.556 nan 8.270 nan 0.000 0.433 47 A N 0.968 123.823 122.820 0.059 0.000 1.873 47 A HA -0.195 4.125 4.320 0.000 0.000 0.218 47 A C 2.460 180.093 177.584 0.083 0.000 1.193 47 A CA 2.068 54.155 52.037 0.083 0.000 0.629 47 A CB -1.258 17.764 19.000 0.037 0.000 0.826 47 A HN 0.583 nan 8.150 nan 0.000 0.447 48 A N -0.588 122.256 122.820 0.039 0.000 1.915 48 A HA -0.221 4.099 4.320 0.000 0.000 0.220 48 A C 2.462 180.124 177.584 0.130 0.000 1.198 48 A CA 2.590 54.663 52.037 0.060 0.000 0.647 48 A CB -1.205 17.806 19.000 0.019 0.000 0.825 48 A HN 0.512 nan 8.150 nan 0.000 0.456 49 S N -0.632 115.125 115.700 0.095 0.000 2.365 49 S HA -0.276 4.194 4.470 0.000 0.000 0.225 49 S C 2.117 176.789 174.600 0.121 0.000 1.039 49 S CA 1.780 60.035 58.200 0.092 0.000 1.033 49 S CB -0.421 62.814 63.200 0.058 0.000 0.887 49 S HN 0.719 nan 8.310 nan 0.000 0.447 50 Q N -0.274 119.609 119.800 0.137 0.000 2.045 50 Q HA -0.187 4.153 4.340 0.000 0.000 0.206 50 Q C 2.001 178.124 176.000 0.205 0.000 0.991 50 Q CA 1.661 57.559 55.803 0.160 0.000 0.851 50 Q CB -0.284 28.609 28.738 0.259 0.000 0.911 50 Q HN 0.697 nan 8.270 nan 0.000 0.418 51 W N 1.590 122.908 121.300 0.031 0.000 2.358 51 W HA -0.189 4.471 4.660 0.000 0.000 0.303 51 W C 0.382 177.044 176.519 0.238 0.000 1.208 51 W CA 1.347 58.742 57.345 0.084 0.000 1.274 51 W CB 0.062 29.492 29.460 -0.050 0.000 1.138 51 W HN 0.200 nan 8.180 nan 0.000 0.515 52 D N -0.102 120.467 120.400 0.283 0.000 2.349 52 D HA 0.067 4.707 4.640 0.000 0.000 0.224 52 D C 1.283 177.651 176.300 0.114 0.000 1.029 52 D CA 0.566 54.660 54.000 0.157 0.000 0.879 52 D CB -0.312 40.571 40.800 0.138 0.000 0.906 52 D HN 0.021 nan 8.370 nan 0.000 0.528 53 G N 0.348 109.231 108.800 0.138 0.000 2.485 53 G HA2 0.135 4.095 3.960 0.000 0.000 0.260 53 G HA3 0.135 4.095 3.960 0.000 0.000 0.260 53 G C 0.332 175.322 174.900 0.151 0.000 1.459 53 G CA -0.470 44.687 45.100 0.094 0.000 1.060 53 G HN -0.135 nan 8.290 nan 0.000 0.546 54 K N -0.459 119.995 120.400 0.090 0.000 2.249 54 K HA 0.200 4.520 4.320 0.000 0.000 0.280 54 K C -1.195 175.498 176.600 0.155 0.000 1.033 54 K CA -0.111 56.246 56.287 0.117 0.000 0.946 54 K CB 1.419 33.944 32.500 0.042 0.000 1.005 54 K HN 0.385 nan 8.250 nan 0.000 0.469 55 W N 0.960 122.185 121.300 -0.124 0.000 2.578 55 W HA 0.269 4.930 4.660 0.000 0.000 0.346 55 W C 0.648 177.128 176.519 -0.065 0.000 1.075 55 W CA -0.623 56.641 57.345 -0.136 0.000 1.233 55 W CB 0.781 30.141 29.460 -0.166 0.000 1.358 55 W HN 0.436 nan 8.180 nan 0.000 0.574 56 E N 1.295 121.582 120.200 0.146 0.000 2.229 56 E HA 0.152 4.502 4.350 0.000 0.000 0.283 56 E C 0.022 176.743 176.600 0.202 0.000 1.030 56 E CA -0.129 56.360 56.400 0.148 0.000 0.836 56 E CB 1.186 30.976 29.700 0.151 0.000 1.068 56 E HN 0.423 nan 8.360 nan 0.000 0.401 57 T N 1.026 115.669 114.554 0.147 0.000 2.910 57 T HA 0.442 4.792 4.350 0.000 0.000 0.293 57 T C -0.191 174.582 174.700 0.122 0.000 1.015 57 T CA -0.533 61.650 62.100 0.139 0.000 1.094 57 T CB 1.002 69.921 68.868 0.085 0.000 0.968 57 T HN 0.167 nan 8.240 nan 0.000 0.521 58 V N 2.827 122.818 119.914 0.128 0.000 3.206 58 V HA 0.579 4.699 4.120 0.000 0.000 0.305 58 V C -1.036 175.108 176.094 0.083 0.000 1.257 58 V CA -1.063 61.279 62.300 0.070 0.000 1.057 58 V CB 2.435 34.223 31.823 -0.058 0.000 1.075 58 V HN 1.102 nan 8.190 nan 0.000 0.443 59 E N 2.411 122.645 120.200 0.057 0.000 2.210 59 E HA 0.570 4.920 4.350 0.000 0.000 0.266 59 E C -1.438 175.174 176.600 0.018 0.000 0.883 59 E CA -0.766 55.660 56.400 0.044 0.000 0.761 59 E CB 2.156 31.867 29.700 0.018 0.000 1.156 59 E HN 0.405 nan 8.360 nan 0.000 0.412 60 I N 3.267 123.810 120.570 -0.045 0.000 2.474 60 I HA 0.219 4.389 4.170 0.000 0.000 0.287 60 I C -1.934 174.098 176.117 -0.142 0.000 1.048 60 I CA -2.644 58.570 61.300 -0.144 0.000 1.383 60 I CB 0.142 37.956 38.000 -0.310 0.000 1.412 60 I HN 0.454 nan 8.210 nan 0.000 0.531 61 P HA 0.120 nan 4.420 nan 0.000 0.271 61 P C -0.632 176.646 177.300 -0.035 0.000 1.216 61 P CA 0.397 63.416 63.100 -0.135 0.000 0.776 61 P CB 0.716 32.331 31.700 -0.142 0.000 0.881 62 H N 0.287 119.270 119.070 -0.144 0.000 2.974 62 H HA 0.489 5.045 4.556 0.000 0.000 0.366 62 H C -1.770 173.501 175.328 -0.096 0.000 1.155 62 H CA -0.380 55.610 56.048 -0.097 0.000 1.186 62 H CB 2.299 32.042 29.762 -0.032 0.000 1.799 62 H HN 0.401 nan 8.280 nan 0.000 0.541 63 T N 3.114 117.168 114.554 -0.833 0.000 2.909 63 T HA 0.301 4.651 4.350 0.000 0.000 0.299 63 T C -0.143 174.123 174.700 -0.723 0.000 1.073 63 T CA -0.634 61.019 62.100 -0.744 0.000 0.999 63 T CB 0.504 69.078 68.868 -0.489 0.000 1.098 63 T HN 0.691 nan 8.240 nan 0.000 0.477 64 W N 3.437 124.513 121.300 -0.373 0.000 3.256 64 W HA 0.395 5.055 4.660 0.000 0.000 0.269 64 W C 0.402 176.930 176.519 0.014 0.000 1.310 64 W CA -0.378 56.875 57.345 -0.153 0.000 1.673 64 W CB -0.876 28.623 29.460 0.066 0.000 1.115 64 W HN 0.617 nan 8.180 nan 0.000 0.686 65 N N 0.426 119.109 118.700 -0.029 0.000 2.204 65 N HA 0.244 4.984 4.740 0.000 0.000 0.219 65 N C 1.760 177.357 175.510 0.145 0.000 1.151 65 N CA 0.330 53.462 53.050 0.138 0.000 0.867 65 N CB 0.395 38.931 38.487 0.082 0.000 1.043 65 N HN 0.184 nan 8.380 nan 0.000 0.516 66 A N 0.296 123.105 122.820 -0.018 0.000 2.019 66 A HA -0.098 4.222 4.320 0.000 0.000 0.219 66 A C 2.012 179.540 177.584 -0.095 0.000 1.164 66 A CA 1.189 53.157 52.037 -0.116 0.000 0.644 66 A CB -0.167 18.703 19.000 -0.217 0.000 0.805 66 A HN 0.326 nan 8.150 nan 0.000 0.449 67 M N -1.068 118.517 119.600 -0.025 0.000 2.858 67 M HA 0.005 4.485 4.480 0.000 0.000 0.255 67 M C 1.306 177.638 176.300 0.054 0.000 1.336 67 M CA 1.168 56.442 55.300 -0.043 0.000 1.220 67 M CB 0.238 32.821 32.600 -0.029 0.000 1.252 67 M HN 0.477 nan 8.290 nan 0.000 0.538 68 D N 0.186 120.662 120.400 0.128 0.000 2.312 68 D HA -0.144 4.496 4.640 0.000 0.000 0.211 68 D C 1.513 177.945 176.300 0.220 0.000 0.964 68 D CA 1.077 55.190 54.000 0.190 0.000 0.877 68 D CB -0.439 40.510 40.800 0.248 0.000 0.924 68 D HN 0.369 nan 8.370 nan 0.000 0.515 69 M N -0.738 118.957 119.600 0.157 0.000 2.502 69 M HA 0.125 4.606 4.480 0.000 0.000 0.243 69 M C 1.574 177.959 176.300 0.142 0.000 1.130 69 M CA 0.485 55.809 55.300 0.039 0.000 1.055 69 M CB 0.403 32.884 32.600 -0.199 0.000 1.457 69 M HN -0.022 nan 8.290 nan 0.000 0.488 70 Q N -1.458 118.461 119.800 0.199 0.000 2.477 70 Q HA 0.099 4.439 4.340 0.000 0.000 0.252 70 Q C 1.682 177.884 176.000 0.337 0.000 0.869 70 Q CA 0.339 56.324 55.803 0.303 0.000 0.969 70 Q CB 0.887 29.756 28.738 0.219 0.000 1.144 70 Q HN 0.201 nan 8.270 nan 0.000 0.577 71 V N 1.398 121.444 119.914 0.219 0.000 3.406 71 V HA 0.002 4.122 4.120 0.000 0.000 0.263 71 V C 0.192 176.417 176.094 0.219 0.000 1.172 71 V CA 0.831 63.281 62.300 0.250 0.000 1.140 71 V CB 0.337 32.249 31.823 0.148 0.000 0.784 71 V HN 0.312 nan 8.190 nan 0.000 0.467 72 Q N -0.384 119.533 119.800 0.195 0.000 2.633 72 Q HA 0.345 4.685 4.340 0.000 0.000 0.289 72 Q C -1.213 174.887 176.000 0.167 0.000 0.940 72 Q CA -0.449 55.452 55.803 0.164 0.000 0.785 72 Q CB 1.874 30.691 28.738 0.131 0.000 1.467 72 Q HN 0.168 nan 8.270 nan 0.000 0.401 73 S N -1.004 114.781 115.700 0.141 0.000 2.537 73 S HA 0.700 5.170 4.470 0.000 0.000 0.301 73 S C 0.705 175.352 174.600 0.079 0.000 1.092 73 S CA 0.277 58.556 58.200 0.131 0.000 1.048 73 S CB 1.183 64.465 63.200 0.136 0.000 1.053 73 S HN 1.889 nan 8.310 nan 0.000 0.501 74 G N 0.786 109.620 108.800 0.057 0.000 2.246 74 G HA2 -0.174 3.787 3.960 0.000 0.000 0.273 74 G HA3 -0.174 3.787 3.960 0.000 0.000 0.273 74 G C 0.139 174.962 174.900 -0.128 0.000 1.055 74 G CA 0.291 45.346 45.100 -0.074 0.000 0.851 74 G HN 1.601 nan 8.290 nan 0.000 0.500 75 S N -0.739 114.921 115.700 -0.066 0.000 2.787 75 S HA 0.588 5.058 4.470 0.000 0.000 0.140 75 S C -0.414 174.204 174.600 0.030 0.000 1.240 75 S CA -0.173 57.976 58.200 -0.085 0.000 1.163 75 S CB -0.421 62.785 63.200 0.010 0.000 1.652 75 S HN 1.465 nan 8.310 nan 0.000 0.443 76 F N 0.180 120.157 119.950 0.045 0.000 2.613 76 F HA 0.749 5.276 4.527 0.000 0.000 0.314 76 F C -1.130 174.761 175.800 0.152 0.000 1.075 76 F CA -1.716 56.344 58.000 0.100 0.000 0.945 76 F CB 0.568 39.605 39.000 0.063 0.000 1.310 76 F HN 0.211 nan 8.300 nan 0.000 0.467 77 Y N 1.814 122.322 120.300 0.348 0.000 2.327 77 Y HA 0.431 4.981 4.550 0.000 0.000 0.336 77 Y C -0.468 175.695 175.900 0.438 0.000 1.035 77 Y CA -0.618 57.627 58.100 0.241 0.000 1.165 77 Y CB 1.003 39.539 38.460 0.126 0.000 1.181 77 Y HN 0.833 nan 8.280 nan 0.000 0.494 78 E N 5.788 125.686 120.200 -0.504 0.000 2.325 78 E HA 0.593 4.943 4.350 0.000 0.000 0.248 78 E C -0.887 175.372 176.600 -0.568 0.000 0.912 78 E CA -0.377 55.880 56.400 -0.239 0.000 0.782 78 E CB 0.429 30.163 29.700 0.056 0.000 1.264 78 E HN 0.996 nan 8.360 nan 0.000 0.417 79 G N 2.038 110.509 108.800 -0.548 0.000 2.335 79 G HA2 0.478 4.439 3.960 0.000 0.000 0.291 79 G HA3 0.478 4.439 3.960 0.000 0.000 0.291 79 G C -1.122 173.764 174.900 -0.025 0.000 1.261 79 G CA -0.296 44.612 45.100 -0.320 0.000 0.871 79 G HN 0.596 nan 8.290 nan 0.000 0.491 80 A N -1.111 121.766 122.820 0.095 0.000 2.425 80 A HA 0.782 5.102 4.320 0.000 0.000 0.242 80 A C 0.720 178.345 177.584 0.067 0.000 1.077 80 A CA 0.907 53.030 52.037 0.144 0.000 0.781 80 A CB 0.464 19.604 19.000 0.233 0.000 1.020 80 A HN 2.275 nan 8.150 nan 0.000 0.494 81 G N -0.734 108.083 108.800 0.029 0.000 2.704 81 G HA2 0.578 4.538 3.960 0.000 0.000 0.293 81 G HA3 0.578 4.538 3.960 0.000 0.000 0.293 81 G C -1.707 173.255 174.900 0.104 0.000 1.421 81 G CA -0.428 44.688 45.100 0.026 0.000 0.870 81 G HN 0.569 nan 8.290 nan 0.000 0.492 82 Y N -0.706 119.633 120.300 0.066 0.000 2.462 82 Y HA 0.635 5.186 4.550 0.000 0.000 0.346 82 Y C -0.855 175.218 175.900 0.288 0.000 0.976 82 Y CA -0.677 57.584 58.100 0.269 0.000 1.044 82 Y CB 2.650 41.294 38.460 0.307 0.000 1.230 82 Y HN 0.523 nan 8.280 nan 0.000 0.455 83 Y N 1.368 122.173 120.300 0.842 0.000 2.468 83 Y HA 0.690 5.241 4.550 0.000 0.000 0.342 83 Y C -0.226 176.224 175.900 0.916 0.000 1.021 83 Y CA -1.106 57.521 58.100 0.878 0.000 1.079 83 Y CB 2.222 41.069 38.460 0.645 0.000 1.226 83 Y HN 0.431 nan 8.280 nan 0.000 0.460 84 R N 2.718 123.779 120.500 0.935 0.000 2.564 84 R HA 0.561 4.901 4.340 0.000 0.000 0.284 84 R C -1.895 174.480 176.300 0.126 0.000 1.031 84 R CA -0.896 55.444 56.100 0.400 0.000 0.904 84 R CB 1.617 31.798 30.300 -0.197 0.000 1.199 84 R HN 0.793 nan 8.270 nan 0.000 0.443 85 K N 1.900 122.189 120.400 -0.186 0.000 2.525 85 K HA 0.340 4.660 4.320 0.000 0.000 0.254 85 K C -1.698 174.735 176.600 -0.277 0.000 0.934 85 K CA -0.583 55.407 56.287 -0.495 0.000 0.802 85 K CB 2.226 33.914 32.500 -1.354 0.000 1.295 85 K HN 0.630 nan 8.250 nan 0.000 0.433 86 T N 0.750 115.171 114.554 -0.222 0.000 2.856 86 T HA 0.514 4.865 4.350 0.000 0.000 0.283 86 T C -1.080 173.565 174.700 -0.093 0.000 1.008 86 T CA -0.538 61.505 62.100 -0.095 0.000 0.997 86 T CB 1.793 70.619 68.868 -0.070 0.000 0.992 86 T HN 0.548 nan 8.240 nan 0.000 0.454 87 Q N 2.363 122.169 119.800 0.010 0.000 2.345 87 Q HA 0.580 4.920 4.340 0.000 0.000 0.275 87 Q C -2.079 173.876 176.000 -0.076 0.000 1.063 87 Q CA -0.848 54.909 55.803 -0.078 0.000 0.819 87 Q CB 1.803 30.516 28.738 -0.042 0.000 1.356 87 Q HN 0.775 nan 8.270 nan 0.000 0.418 88 F N 3.888 123.645 119.950 -0.321 0.000 2.410 88 F HA 0.656 5.183 4.527 0.000 0.000 0.348 88 F C -1.315 174.235 175.800 -0.418 0.000 1.106 88 F CA -0.287 57.580 58.000 -0.221 0.000 1.163 88 F CB 0.525 39.432 39.000 -0.155 0.000 1.129 88 F HN 0.534 nan 8.300 nan 0.000 0.516 89 F N 7.123 126.646 119.950 -0.712 0.000 2.499 89 F HA 0.402 4.929 4.527 0.000 0.000 0.333 89 F C -2.178 173.209 175.800 -0.688 0.000 1.138 89 F CA -2.348 55.368 58.000 -0.472 0.000 0.945 89 F CB 1.293 40.124 39.000 -0.281 0.000 1.181 89 F HN 0.321 nan 8.300 nan 0.000 0.435 90 P HA 0.077 nan 4.420 nan 0.000 0.272 90 P C 0.083 177.324 177.300 -0.098 0.000 1.223 90 P CA -0.048 62.997 63.100 -0.092 0.000 0.784 90 P CB 0.845 32.630 31.700 0.142 0.000 0.923 91 H N -0.440 118.637 119.070 0.011 0.000 2.557 91 H HA -0.150 4.406 4.556 0.000 0.000 0.287 91 H C 1.542 176.886 175.328 0.027 0.000 1.043 91 H CA 1.266 57.321 56.048 0.011 0.000 1.226 91 H CB -0.431 29.344 29.762 0.021 0.000 1.361 91 H HN 0.466 nan 8.280 nan 0.000 0.592 92 D N 0.628 121.114 120.400 0.144 0.000 2.203 92 D HA -0.165 4.476 4.640 0.000 0.000 0.199 92 D C 1.530 177.878 176.300 0.080 0.000 0.997 92 D CA 0.969 55.033 54.000 0.106 0.000 0.863 92 D CB -0.053 40.810 40.800 0.105 0.000 0.928 92 D HN 0.417 nan 8.370 nan 0.000 0.458 93 L N 0.125 121.388 121.223 0.066 0.000 2.558 93 L HA 0.084 4.425 4.340 0.000 0.000 0.225 93 L C 1.065 177.951 176.870 0.027 0.000 1.128 93 L CA -0.186 54.683 54.840 0.049 0.000 0.868 93 L CB -0.163 41.929 42.059 0.054 0.000 1.006 93 L HN -0.027 nan 8.230 nan 0.000 0.454 94 E N 1.062 121.285 120.200 0.038 0.000 2.568 94 E HA -0.094 4.256 4.350 0.000 0.000 0.262 94 E C 1.140 177.753 176.600 0.021 0.000 0.961 94 E CA 1.150 57.569 56.400 0.031 0.000 0.945 94 E CB 0.545 30.282 29.700 0.062 0.000 0.924 94 E HN 0.386 nan 8.360 nan 0.000 0.467 95 G N 3.796 112.600 108.800 0.007 0.000 2.189 95 G HA2 -0.313 3.647 3.960 0.000 0.000 0.267 95 G HA3 -0.313 3.647 3.960 0.000 0.000 0.267 95 G C 0.280 175.185 174.900 0.009 0.000 0.975 95 G CA 0.983 46.087 45.100 0.008 0.000 0.644 95 G HN 0.492 nan 8.290 nan 0.000 0.537 96 K N -0.426 119.977 120.400 0.004 0.000 2.210 96 K HA 0.705 5.025 4.320 0.000 0.000 0.236 96 K C 0.416 177.005 176.600 -0.019 0.000 1.016 96 K CA -0.866 55.429 56.287 0.013 0.000 0.913 96 K CB 1.031 33.549 32.500 0.030 0.000 1.141 96 K HN 0.194 nan 8.250 nan 0.000 0.462 97 R N 0.563 121.067 120.500 0.006 0.000 2.514 97 R HA 0.477 4.818 4.340 0.000 0.000 0.301 97 R C -1.016 175.203 176.300 -0.136 0.000 0.962 97 R CA -0.817 55.229 56.100 -0.090 0.000 0.882 97 R CB 1.610 31.930 30.300 0.034 0.000 1.143 97 R HN 0.205 nan 8.270 nan 0.000 0.452 98 V N 3.489 123.129 119.914 -0.457 0.000 2.680 98 V HA 0.601 4.721 4.120 0.000 0.000 0.309 98 V C -0.976 174.711 176.094 -0.678 0.000 1.052 98 V CA -0.790 61.306 62.300 -0.339 0.000 0.908 98 V CB 1.551 33.226 31.823 -0.248 0.000 1.001 98 V HN 0.545 nan 8.190 nan 0.000 0.431 99 F N 2.984 122.900 119.950 -0.058 0.000 2.578 99 F HA 0.653 5.180 4.527 0.000 0.000 0.311 99 F C -0.379 175.359 175.800 -0.103 0.000 1.094 99 F CA -0.732 57.237 58.000 -0.051 0.000 0.923 99 F CB 1.797 40.783 39.000 -0.023 0.000 1.230 99 F HN 0.167 nan 8.300 nan 0.000 0.450 100 L N 2.878 124.147 121.223 0.076 0.000 2.295 100 L HA 0.609 4.949 4.340 0.000 0.000 0.285 100 L C -0.271 176.577 176.870 -0.037 0.000 1.035 100 L CA -0.602 54.177 54.840 -0.102 0.000 0.806 100 L CB 1.789 43.788 42.059 -0.101 0.000 1.214 100 L HN 0.598 nan 8.230 nan 0.000 0.426 101 R N 2.968 123.381 120.500 -0.145 0.000 2.393 101 R HA 0.494 4.834 4.340 0.000 0.000 0.315 101 R C -1.482 174.642 176.300 -0.293 0.000 0.952 101 R CA -0.476 55.570 56.100 -0.090 0.000 0.842 101 R CB 0.984 31.306 30.300 0.035 0.000 1.163 101 R HN 0.320 nan 8.270 nan 0.000 0.450 102 F N 2.479 122.180 119.950 -0.415 0.000 2.410 102 F HA 0.248 4.775 4.527 0.000 0.000 0.349 102 F C 1.320 176.881 175.800 -0.399 0.000 1.117 102 F CA -0.401 57.267 58.000 -0.553 0.000 1.104 102 F CB 1.882 40.195 39.000 -1.144 0.000 1.122 102 F HN 0.579 nan 8.300 nan 0.000 0.483 103 E N 1.991 122.126 120.200 -0.108 0.000 2.216 103 E HA 0.153 4.503 4.350 0.000 0.000 0.192 103 E C 0.662 177.182 176.600 -0.132 0.000 0.988 103 E CA 0.377 56.737 56.400 -0.066 0.000 0.834 103 E CB 0.292 29.978 29.700 -0.024 0.000 0.772 103 E HN 0.784 nan 8.360 nan 0.000 0.479 104 G N 0.039 108.704 108.800 -0.225 0.000 2.476 104 G HA2 0.375 4.335 3.960 0.000 0.000 0.309 104 G HA3 0.375 4.335 3.960 0.000 0.000 0.309 104 G C -1.513 173.251 174.900 -0.228 0.000 1.575 104 G CA -0.677 44.264 45.100 -0.264 0.000 0.913 104 G HN -0.032 nan 8.290 nan 0.000 0.623 105 V N 0.715 120.695 119.914 0.111 0.000 2.623 105 V HA 0.820 4.940 4.120 0.000 0.000 0.304 105 V C 0.602 176.828 176.094 0.221 0.000 1.054 105 V CA -0.257 62.154 62.300 0.185 0.000 0.882 105 V CB 2.012 33.957 31.823 0.203 0.000 1.002 105 V HN 1.273 nan 8.190 nan 0.000 0.424 106 G N 2.005 110.897 108.800 0.153 0.000 2.319 106 G HA2 0.602 4.562 3.960 0.000 0.000 0.308 106 G HA3 0.602 4.562 3.960 0.000 0.000 0.308 106 G C 0.389 175.292 174.900 0.005 0.000 1.117 106 G CA 0.423 45.501 45.100 -0.037 0.000 0.903 106 G HN 1.043 nan 8.290 nan 0.000 0.436 107 A N 1.558 124.419 122.820 0.068 0.000 1.999 107 A HA 0.358 4.679 4.320 0.000 0.000 0.200 107 A C 0.994 178.627 177.584 0.082 0.000 1.363 107 A CA 0.537 52.604 52.037 0.049 0.000 0.844 107 A CB 0.088 19.114 19.000 0.044 0.000 0.954 107 A HN 0.641 nan 8.150 nan 0.000 0.481 108 C N 0.383 119.727 119.300 0.073 0.000 2.366 108 C HA 0.833 5.294 4.460 0.000 0.000 0.345 108 C C 0.528 175.535 174.990 0.028 0.000 1.209 108 C CA -0.345 58.686 59.018 0.022 0.000 2.050 108 C CB 0.707 28.450 27.740 0.005 0.000 2.359 108 C HN 0.649 nan 8.230 nan 0.000 0.527 109 A N 2.277 125.050 122.820 -0.079 0.000 2.435 109 A HA 0.819 5.139 4.320 0.000 0.000 0.304 109 A C -1.093 176.413 177.584 -0.131 0.000 1.064 109 A CA -0.511 51.470 52.037 -0.094 0.000 0.727 109 A CB 0.976 19.862 19.000 -0.190 0.000 1.284 109 A HN 0.876 nan 8.150 nan 0.000 0.415 110 E N 0.766 120.948 120.200 -0.030 0.000 2.246 110 E HA 0.516 4.866 4.350 0.000 0.000 0.266 110 E C -1.423 175.135 176.600 -0.070 0.000 0.880 110 E CA -0.755 55.593 56.400 -0.087 0.000 0.762 110 E CB 2.504 32.208 29.700 0.007 0.000 1.180 110 E HN 0.336 nan 8.360 nan 0.000 0.416 111 V N 3.436 123.235 119.914 -0.193 0.000 2.483 111 V HA 0.399 4.519 4.120 0.000 0.000 0.295 111 V C -1.126 174.815 176.094 -0.255 0.000 1.035 111 V CA -0.555 61.731 62.300 -0.023 0.000 0.896 111 V CB 0.557 32.465 31.823 0.141 0.000 0.986 111 V HN 0.578 nan 8.190 nan 0.000 0.447 112 Y N 2.490 122.947 120.300 0.261 0.000 2.425 112 Y HA 0.677 5.227 4.550 0.000 0.000 0.344 112 Y C -0.240 175.781 175.900 0.201 0.000 0.969 112 Y CA -1.015 57.209 58.100 0.207 0.000 1.052 112 Y CB 2.295 40.879 38.460 0.207 0.000 1.215 112 Y HN 0.301 nan 8.280 nan 0.000 0.451 113 V N 3.612 123.689 119.914 0.272 0.000 2.376 113 V HA 0.255 4.375 4.120 0.000 0.000 0.287 113 V C -0.476 175.699 176.094 0.135 0.000 1.015 113 V CA -1.306 61.099 62.300 0.174 0.000 0.834 113 V CB 1.041 32.910 31.823 0.076 0.000 1.001 113 V HN 0.963 nan 8.190 nan 0.000 0.428 114 N N 3.983 122.760 118.700 0.129 0.000 2.721 114 N HA -0.219 4.521 4.740 0.000 0.000 0.249 114 N C 1.215 176.786 175.510 0.102 0.000 1.072 114 N CA 1.437 54.542 53.050 0.091 0.000 0.710 114 N CB -1.075 37.440 38.487 0.045 0.000 0.993 114 N HN 1.551 nan 8.380 nan 0.000 0.547 115 G N -1.279 107.613 108.800 0.153 0.000 2.162 115 G HA2 -0.369 3.591 3.960 0.000 0.000 0.260 115 G HA3 -0.369 3.591 3.960 0.000 0.000 0.260 115 G C 0.024 175.048 174.900 0.206 0.000 0.976 115 G CA 0.873 46.045 45.100 0.120 0.000 0.655 115 G HN 0.523 nan 8.290 nan 0.000 0.533 116 K N 0.068 120.608 120.400 0.232 0.000 2.263 116 K HA 0.564 4.884 4.320 0.000 0.000 0.272 116 K C 0.251 176.983 176.600 0.221 0.000 1.033 116 K CA -1.001 55.404 56.287 0.196 0.000 0.884 116 K CB 1.426 33.985 32.500 0.097 0.000 1.107 116 K HN 0.137 nan 8.250 nan 0.000 0.460 117 L N 3.378 124.721 121.223 0.201 0.000 2.559 117 L HA -0.012 4.328 4.340 0.000 0.000 0.274 117 L C 0.568 177.410 176.870 -0.047 0.000 1.205 117 L CA 1.005 55.809 54.840 -0.060 0.000 0.907 117 L CB 0.661 42.692 42.059 -0.048 0.000 1.153 117 L HN 0.864 nan 8.230 nan 0.000 0.490 118 A N 3.608 126.378 122.820 -0.083 0.000 2.127 118 A HA 0.681 5.001 4.320 0.000 0.000 0.204 118 A C 0.748 178.342 177.584 0.016 0.000 1.243 118 A CA 0.599 52.634 52.037 -0.003 0.000 0.887 118 A CB 0.016 19.041 19.000 0.042 0.000 0.933 118 A HN 0.900 nan 8.150 nan 0.000 0.479 119 G N -1.662 107.121 108.800 -0.029 0.000 2.733 119 G HA2 0.493 4.453 3.960 0.000 0.000 0.297 119 G HA3 0.493 4.453 3.960 0.000 0.000 0.297 119 G C -1.218 173.637 174.900 -0.074 0.000 1.452 119 G CA -0.013 45.099 45.100 0.020 0.000 0.940 119 G HN 0.051 nan 8.290 nan 0.000 0.547 120 T N 0.499 115.006 114.554 -0.079 0.000 2.924 120 T HA 0.777 5.128 4.350 0.000 0.000 0.291 120 T C -1.371 173.205 174.700 -0.207 0.000 1.045 120 T CA -0.470 61.545 62.100 -0.142 0.000 1.015 120 T CB 1.585 70.401 68.868 -0.086 0.000 1.103 120 T HN 0.673 nan 8.240 nan 0.000 0.496 121 H N 1.754 120.574 119.070 -0.418 0.000 3.151 121 H HA 0.272 4.828 4.556 0.000 0.000 0.333 121 H C -1.602 173.552 175.328 -0.291 0.000 1.093 121 H CA -0.571 55.187 56.048 -0.483 0.000 1.342 121 H CB 1.209 30.277 29.762 -1.157 0.000 1.983 121 H HN 0.503 nan 8.280 nan 0.000 0.503 122 K N 2.827 122.823 120.400 -0.674 0.000 2.450 122 K HA 0.554 4.874 4.320 0.000 0.000 0.257 122 K C -0.621 175.717 176.600 -0.437 0.000 0.953 122 K CA -0.662 55.396 56.287 -0.382 0.000 0.844 122 K CB 2.270 34.655 32.500 -0.191 0.000 1.103 122 K HN 0.824 nan 8.250 nan 0.000 0.429 123 G N 0.846 109.560 108.800 -0.143 0.000 2.404 123 G HA2 0.071 4.031 3.960 0.000 0.000 0.230 123 G HA3 0.071 4.031 3.960 0.000 0.000 0.230 123 G C 0.269 175.329 174.900 0.268 0.000 1.516 123 G CA -0.625 44.532 45.100 0.095 0.000 1.026 123 G HN 0.611 nan 8.290 nan 0.000 0.660 124 G N -0.052 108.849 108.800 0.168 0.000 2.848 124 G HA2 0.243 4.203 3.960 0.000 0.000 0.208 124 G HA3 0.243 4.203 3.960 0.000 0.000 0.208 124 G C 0.694 175.434 174.900 -0.266 0.000 1.152 124 G CA 1.023 46.047 45.100 -0.126 0.000 0.789 124 G HN 0.697 nan 8.290 nan 0.000 0.531 125 Y N 0.454 120.949 120.300 0.325 0.000 2.626 125 Y HA 0.304 4.854 4.550 0.000 0.000 0.248 125 Y C 0.835 176.907 175.900 0.287 0.000 1.147 125 Y CA -0.509 57.781 58.100 0.316 0.000 1.219 125 Y CB 0.494 39.136 38.460 0.303 0.000 1.279 125 Y HN 0.180 nan 8.280 nan 0.000 0.541 126 S N 0.202 116.151 115.700 0.415 0.000 2.542 126 S HA 0.861 5.331 4.470 0.000 0.000 0.293 126 S C -0.073 174.654 174.600 0.212 0.000 1.089 126 S CA -0.885 57.510 58.200 0.324 0.000 0.961 126 S CB 2.035 65.457 63.200 0.371 0.000 1.062 126 S HN 0.218 nan 8.310 nan 0.000 0.483 127 A N 1.584 124.488 122.820 0.140 0.000 2.429 127 A HA 0.662 4.982 4.320 0.000 0.000 0.242 127 A C -0.172 177.455 177.584 0.070 0.000 1.088 127 A CA -0.301 51.759 52.037 0.038 0.000 0.784 127 A CB -0.487 18.537 19.000 0.040 0.000 1.038 127 A HN 1.408 nan 8.150 nan 0.000 0.501 128 F N -2.382 117.509 119.950 -0.099 0.000 2.645 128 F HA 0.830 5.357 4.527 0.000 0.000 0.310 128 F C -0.286 175.593 175.800 0.131 0.000 1.102 128 F CA -0.830 57.136 58.000 -0.057 0.000 0.952 128 F CB 1.305 40.155 39.000 -0.249 0.000 1.326 128 F HN 0.834 nan 8.300 nan 0.000 0.456 129 A N 0.524 123.495 122.820 0.251 0.000 2.498 129 A HA 0.914 5.234 4.320 0.000 0.000 0.298 129 A C -1.309 176.463 177.584 0.314 0.000 1.075 129 A CA -0.494 51.675 52.037 0.221 0.000 0.714 129 A CB 1.236 20.314 19.000 0.129 0.000 1.299 129 A HN 1.746 nan 8.150 nan 0.000 0.407 130 C N -0.124 119.371 119.300 0.325 0.000 2.985 130 C HA 0.731 5.192 4.460 0.000 0.000 0.332 130 C C -0.345 174.779 174.990 0.224 0.000 1.164 130 C CA -0.795 58.395 59.018 0.286 0.000 1.347 130 C CB 0.515 28.397 27.740 0.236 0.000 1.764 130 C HN 1.044 nan 8.230 nan 0.000 0.489 131 E N 1.184 121.466 120.200 0.136 0.000 2.415 131 E HA 0.273 4.624 4.350 0.000 0.000 0.260 131 E C 0.726 177.196 176.600 -0.216 0.000 1.016 131 E CA -0.018 56.205 56.400 -0.295 0.000 0.924 131 E CB 0.412 29.928 29.700 -0.306 0.000 0.961 131 E HN 0.752 nan 8.360 nan 0.000 0.459 132 I N 2.043 122.437 120.570 -0.293 0.000 4.181 132 I HA 0.376 4.546 4.170 0.000 0.000 0.331 132 I C 1.604 177.550 176.117 -0.285 0.000 1.312 132 I CA -0.026 61.150 61.300 -0.208 0.000 1.146 132 I CB 0.436 38.340 38.000 -0.160 0.000 1.074 132 I HN 0.614 nan 8.210 nan 0.000 0.402 133 G N 2.499 111.077 108.800 -0.370 0.000 2.599 133 G HA2 -0.413 3.547 3.960 0.000 0.000 0.219 133 G HA3 -0.413 3.547 3.960 0.000 0.000 0.219 133 G C 1.673 176.429 174.900 -0.240 0.000 1.193 133 G CA 2.332 47.236 45.100 -0.327 0.000 0.778 133 G HN 0.554 nan 8.290 nan 0.000 0.589 134 T N -1.661 112.779 114.554 -0.191 0.000 3.098 134 T HA 0.382 4.733 4.350 0.000 0.000 0.266 134 T C 2.029 176.663 174.700 -0.110 0.000 1.145 134 T CA 1.576 63.600 62.100 -0.127 0.000 1.092 134 T CB -0.016 68.797 68.868 -0.093 0.000 0.908 134 T HN 0.479 nan 8.240 nan 0.000 0.526 135 A N 0.403 123.144 122.820 -0.131 0.000 2.303 135 A HA 0.550 4.871 4.320 0.000 0.000 0.217 135 A C 0.906 178.414 177.584 -0.127 0.000 1.205 135 A CA -0.457 51.522 52.037 -0.097 0.000 0.875 135 A CB -0.041 18.922 19.000 -0.062 0.000 0.910 135 A HN 0.534 nan 8.150 nan 0.000 0.501 136 L N 0.588 121.686 121.223 -0.208 0.000 2.452 136 L HA 0.180 4.520 4.340 0.000 0.000 0.267 136 L C -0.207 176.555 176.870 -0.179 0.000 1.188 136 L CA -0.014 54.665 54.840 -0.269 0.000 0.821 136 L CB 0.653 42.433 42.059 -0.466 0.000 1.102 136 L HN 0.198 nan 8.230 nan 0.000 0.470 137 K N 3.802 124.110 120.400 -0.154 0.000 2.347 137 K HA 0.463 4.783 4.320 0.000 0.000 0.262 137 K C -0.871 175.615 176.600 -0.190 0.000 1.052 137 K CA -0.407 55.804 56.287 -0.127 0.000 0.946 137 K CB 0.902 33.354 32.500 -0.080 0.000 1.220 137 K HN 0.324 nan 8.250 nan 0.000 0.450 138 L N 1.334 122.422 121.223 -0.226 0.000 2.467 138 L HA 0.151 4.491 4.340 0.000 0.000 0.270 138 L C 1.494 177.968 176.870 -0.660 0.000 1.205 138 L CA 0.686 55.307 54.840 -0.364 0.000 0.828 138 L CB 0.276 42.167 42.059 -0.280 0.000 1.101 138 L HN 0.973 nan 8.230 nan 0.000 0.479 139 G N 0.922 109.191 108.800 -0.885 0.000 2.155 139 G HA2 -0.114 3.847 3.960 0.000 0.000 0.257 139 G HA3 -0.114 3.847 3.960 0.000 0.000 0.257 139 G C 0.064 174.734 174.900 -0.383 0.000 0.983 139 G CA 0.282 44.905 45.100 -0.795 0.000 0.676 139 G HN 1.068 nan 8.290 nan 0.000 0.528 140 A N -1.128 121.379 122.820 -0.521 0.000 2.524 140 A HA 0.865 5.185 4.320 0.000 0.000 0.286 140 A C -0.265 177.198 177.584 -0.201 0.000 1.203 140 A CA -0.426 51.501 52.037 -0.184 0.000 0.736 140 A CB 1.059 20.005 19.000 -0.089 0.000 1.322 140 A HN 0.291 nan 8.150 nan 0.000 0.424 141 E N 0.670 120.905 120.200 0.058 0.000 2.277 141 E HA 0.373 4.723 4.350 0.000 0.000 0.274 141 E C -0.985 175.664 176.600 0.081 0.000 1.022 141 E CA -0.528 55.938 56.400 0.111 0.000 0.853 141 E CB 1.059 30.841 29.700 0.137 0.000 1.086 141 E HN 0.544 nan 8.360 nan 0.000 0.397 142 N N 1.696 120.481 118.700 0.141 0.000 2.229 142 N HA 0.162 4.903 4.740 0.000 0.000 0.298 142 N C -1.315 174.270 175.510 0.126 0.000 1.114 142 N CA -0.482 52.649 53.050 0.136 0.000 0.776 142 N CB 2.208 40.801 38.487 0.178 0.000 1.501 142 N HN 0.433 nan 8.380 nan 0.000 0.474 143 E N 2.248 122.506 120.200 0.095 0.000 2.133 143 E HA 0.308 4.658 4.350 0.000 0.000 0.274 143 E C -0.613 176.080 176.600 0.154 0.000 0.930 143 E CA -0.672 55.783 56.400 0.091 0.000 0.770 143 E CB 0.865 30.603 29.700 0.062 0.000 1.104 143 E HN 0.382 nan 8.360 nan 0.000 0.403 144 I N 5.679 126.351 120.570 0.172 0.000 2.353 144 I HA 0.366 4.536 4.170 0.000 0.000 0.293 144 I C 0.227 176.581 176.117 0.395 0.000 0.992 144 I CA -0.535 60.942 61.300 0.295 0.000 1.268 144 I CB 0.699 38.902 38.000 0.338 0.000 1.387 144 I HN 0.501 nan 8.210 nan 0.000 0.478 145 I N 5.948 126.838 120.570 0.533 0.000 2.498 145 I HA 0.416 4.586 4.170 0.000 0.000 0.290 145 I C -0.604 175.976 176.117 0.771 0.000 1.032 145 I CA -0.855 60.849 61.300 0.673 0.000 1.073 145 I CB 2.477 40.851 38.000 0.623 0.000 1.251 145 I HN 0.138 nan 8.210 nan 0.000 0.426 146 V N 6.211 126.622 119.914 0.828 0.000 2.409 146 V HA 0.331 4.451 4.120 0.000 0.000 0.291 146 V C 0.028 176.492 176.094 0.616 0.000 1.020 146 V CA -0.797 61.885 62.300 0.637 0.000 0.848 146 V CB 1.684 33.803 31.823 0.494 0.000 0.990 146 V HN 0.614 nan 8.190 nan 0.000 0.430 147 K N 3.773 124.426 120.400 0.423 0.000 2.211 147 K HA 0.759 5.079 4.320 0.000 0.000 0.275 147 K C -0.408 176.288 176.600 0.159 0.000 1.024 147 K CA -0.246 56.092 56.287 0.085 0.000 0.887 147 K CB 1.432 33.878 32.500 -0.090 0.000 1.084 147 K HN 0.831 nan 8.250 nan 0.000 0.463 148 A N 3.618 126.579 122.820 0.235 0.000 2.355 148 A HA 0.464 4.785 4.320 0.000 0.000 0.324 148 A C -1.310 176.503 177.584 0.381 0.000 1.117 148 A CA -0.629 51.644 52.037 0.393 0.000 0.785 148 A CB 1.305 20.735 19.000 0.717 0.000 1.254 148 A HN 0.793 nan 8.150 nan 0.000 0.453 149 D N 1.009 121.613 120.400 0.340 0.000 2.891 149 D HA 0.155 4.795 4.640 0.000 0.000 0.224 149 D C -1.127 175.321 176.300 0.246 0.000 1.321 149 D CA -0.287 53.891 54.000 0.297 0.000 0.929 149 D CB 1.208 42.099 40.800 0.152 0.000 1.551 149 D HN 0.527 nan 8.370 nan 0.000 0.574 150 N N 2.905 121.783 118.700 0.297 0.000 2.389 150 N HA 0.068 4.808 4.740 0.000 0.000 0.260 150 N C -0.249 175.323 175.510 0.104 0.000 1.191 150 N CA -0.446 52.699 53.050 0.158 0.000 0.885 150 N CB 0.348 38.895 38.487 0.101 0.000 1.162 150 N HN 0.202 nan 8.380 nan 0.000 0.512 151 K N 1.121 121.566 120.400 0.075 0.000 2.312 151 K HA 0.440 4.760 4.320 0.000 0.000 0.287 151 K C 0.002 176.626 176.600 0.039 0.000 1.062 151 K CA -0.479 55.829 56.287 0.035 0.000 0.934 151 K CB 0.672 33.173 32.500 0.001 0.000 1.027 151 K HN 0.255 nan 8.250 nan 0.000 0.478 152 A N 5.107 127.952 122.820 0.040 0.000 2.565 152 A HA 0.041 4.361 4.320 0.000 0.000 0.237 152 A C -0.458 177.143 177.584 0.028 0.000 1.053 152 A CA 0.328 52.386 52.037 0.035 0.000 0.755 152 A CB 0.018 19.035 19.000 0.029 0.000 0.980 152 A HN 0.922 nan 8.150 nan 0.000 0.506 153 R N 2.684 123.205 120.500 0.034 0.000 2.604 153 R HA 0.461 4.801 4.340 0.000 0.000 0.281 153 R C -2.777 173.548 176.300 0.041 0.000 1.020 153 R CA -1.846 54.270 56.100 0.027 0.000 0.899 153 R CB 1.391 31.704 30.300 0.021 0.000 1.205 153 R HN 0.382 nan 8.270 nan 0.000 0.450 154 P HA -0.165 nan 4.420 nan 0.000 0.231 154 P C -0.230 177.147 177.300 0.128 0.000 1.158 154 P CA 1.160 64.312 63.100 0.086 0.000 0.763 154 P CB 0.159 31.915 31.700 0.093 0.000 0.805 155 D N -1.196 119.258 120.400 0.091 0.000 2.402 155 D HA 0.120 4.760 4.640 0.000 0.000 0.216 155 D C -0.000 176.352 176.300 0.087 0.000 1.128 155 D CA -0.550 53.517 54.000 0.112 0.000 0.833 155 D CB 0.094 40.939 40.800 0.074 0.000 0.971 155 D HN -0.020 nan 8.370 nan 0.000 0.503 156 V N 1.995 121.957 119.914 0.081 0.000 2.686 156 V HA 0.325 4.445 4.120 0.000 0.000 0.306 156 V C 0.135 176.290 176.094 0.102 0.000 1.065 156 V CA -1.183 61.163 62.300 0.078 0.000 0.894 156 V CB 2.300 34.155 31.823 0.055 0.000 1.004 156 V HN 0.189 nan 8.190 nan 0.000 0.424 157 I N 2.997 123.643 120.570 0.126 0.000 2.440 157 I HA 0.640 4.810 4.170 0.000 0.000 0.294 157 I C -2.370 173.876 176.117 0.214 0.000 0.995 157 I CA -2.235 59.156 61.300 0.152 0.000 1.306 157 I CB 1.812 39.908 38.000 0.160 0.000 1.407 157 I HN 0.374 nan 8.210 nan 0.000 0.501 158 P HA 0.043 nan 4.420 nan 0.000 0.281 158 P C 0.767 178.110 177.300 0.071 0.000 1.252 158 P CA -0.326 62.857 63.100 0.138 0.000 0.778 158 P CB 1.686 33.448 31.700 0.103 0.000 0.895 159 V N 0.021 119.965 119.914 0.051 0.000 3.444 159 V HA -0.005 4.115 4.120 0.000 0.000 0.271 159 V C 0.258 176.363 176.094 0.019 0.000 1.188 159 V CA 0.904 63.230 62.300 0.044 0.000 1.168 159 V CB -1.989 29.863 31.823 0.048 0.000 0.810 159 V HN 0.731 nan 8.190 nan 0.000 0.500 160 N N -1.686 117.004 118.700 -0.016 0.000 2.823 160 N HA 0.264 5.004 4.740 0.000 0.000 0.251 160 N C -0.444 175.001 175.510 -0.108 0.000 1.392 160 N CA -0.776 52.256 53.050 -0.030 0.000 0.864 160 N CB 0.697 39.182 38.487 -0.005 0.000 1.481 160 N HN -0.040 nan 8.380 nan 0.000 0.508 161 Q N 0.016 119.767 119.800 -0.082 0.000 2.242 161 Q HA 0.253 4.593 4.340 0.000 0.000 0.246 161 Q C -0.218 175.693 176.000 -0.148 0.000 0.883 161 Q CA 0.001 55.708 55.803 -0.161 0.000 0.984 161 Q CB -0.616 28.095 28.738 -0.044 0.000 1.096 161 Q HN 0.675 nan 8.270 nan 0.000 0.452 162 N N -0.255 118.390 118.700 -0.093 0.000 2.220 162 N HA -0.063 4.677 4.740 0.000 0.000 0.182 162 N C 1.173 176.779 175.510 0.161 0.000 1.023 162 N CA 0.285 53.394 53.050 0.097 0.000 0.856 162 N CB 0.285 38.886 38.487 0.191 0.000 0.997 162 N HN 0.042 nan 8.380 nan 0.000 0.429 163 L N 0.095 121.325 121.223 0.013 0.000 2.240 163 L HA 0.179 4.519 4.340 0.000 0.000 0.211 163 L C -0.199 176.937 176.870 0.443 0.000 1.106 163 L CA 1.177 56.157 54.840 0.234 0.000 0.793 163 L CB -0.580 41.627 42.059 0.246 0.000 0.927 163 L HN 0.125 nan 8.230 nan 0.000 0.446 164 F N -3.907 116.175 119.950 0.220 0.000 2.807 164 F HA 0.644 5.171 4.527 0.000 0.000 0.316 164 F C -0.095 175.686 175.800 -0.032 0.000 1.162 164 F CA -1.309 56.770 58.000 0.133 0.000 0.910 164 F CB 0.397 39.492 39.000 0.159 0.000 1.314 164 F HN -0.273 nan 8.300 nan 0.000 0.454 165 G N 0.334 109.114 108.800 -0.032 0.000 2.388 165 G HA2 0.552 4.512 3.960 0.000 0.000 0.330 165 G HA3 0.552 4.512 3.960 0.000 0.000 0.330 165 G C -1.501 173.234 174.900 -0.276 0.000 1.142 165 G CA -1.042 43.832 45.100 -0.377 0.000 0.908 165 G HN 0.722 nan 8.290 nan 0.000 0.473 166 V N 3.473 123.259 119.914 -0.214 0.000 2.223 166 V HA 0.065 4.185 4.120 0.000 0.000 0.249 166 V C -0.198 175.712 176.094 -0.306 0.000 1.233 166 V CA -0.630 61.594 62.300 -0.127 0.000 1.131 166 V CB -1.693 30.130 31.823 0.001 0.000 1.298 166 V HN 0.588 nan 8.190 nan 0.000 0.498 167 Y N 2.160 122.261 120.300 -0.332 0.000 2.954 167 Y HA 0.052 4.602 4.550 0.000 0.000 0.351 167 Y C 1.496 177.013 175.900 -0.638 0.000 1.282 167 Y CA 0.920 58.731 58.100 -0.482 0.000 1.614 167 Y CB 0.255 38.403 38.460 -0.520 0.000 1.183 167 Y HN 0.617 nan 8.280 nan 0.000 0.566 168 G N 1.684 110.064 108.800 -0.700 0.000 2.448 168 G HA2 0.567 4.527 3.960 0.000 0.000 0.285 168 G HA3 0.567 4.527 3.960 0.000 0.000 0.285 168 G C 0.119 174.180 174.900 -1.398 0.000 1.176 168 G CA 0.072 44.510 45.100 -1.103 0.000 0.852 168 G HN 1.108 nan 8.290 nan 0.000 0.530 169 G N -0.582 107.759 108.800 -0.765 0.000 2.479 169 G HA2 -0.057 3.903 3.960 0.000 0.000 0.686 169 G HA3 -0.057 3.903 3.960 0.000 0.000 0.686 169 G C -0.237 174.692 174.900 0.048 0.000 1.295 169 G CA -0.623 44.405 45.100 -0.119 0.000 0.922 169 G HN 0.971 nan 8.290 nan 0.000 0.582 170 I N 2.116 122.649 120.570 -0.062 0.000 2.352 170 I HA 0.148 4.318 4.170 0.000 0.000 0.303 170 I C 1.402 177.408 176.117 -0.185 0.000 1.194 170 I CA -0.058 61.072 61.300 -0.283 0.000 1.518 170 I CB -0.511 37.037 38.000 -0.752 0.000 1.489 170 I HN 0.614 nan 8.210 nan 0.000 0.702 171 Y N 4.180 124.355 120.300 -0.209 0.000 2.500 171 Y HA 0.381 4.932 4.550 0.000 0.000 0.270 171 Y C 0.773 176.573 175.900 -0.165 0.000 1.134 171 Y CA -0.590 57.384 58.100 -0.210 0.000 1.293 171 Y CB -0.006 38.309 38.460 -0.242 0.000 1.063 171 Y HN 0.232 nan 8.280 nan 0.000 0.534 172 R N 0.797 120.899 120.500 -0.664 0.000 2.873 172 R HA 0.457 4.798 4.340 0.000 0.000 0.264 172 R C -2.692 173.402 176.300 -0.345 0.000 1.026 172 R CA -2.288 53.540 56.100 -0.453 0.000 1.002 172 R CB 0.834 30.839 30.300 -0.491 0.000 1.174 172 R HN -0.025 nan 8.270 nan 0.000 0.488 173 P HA 0.077 nan 4.420 nan 0.000 0.273 173 P C -0.929 176.056 177.300 -0.525 0.000 1.250 173 P CA -0.294 62.544 63.100 -0.436 0.000 0.793 173 P CB 0.571 31.964 31.700 -0.512 0.000 1.011 174 V N 0.123 119.634 119.914 -0.671 0.000 2.769 174 V HA 0.478 4.598 4.120 0.000 0.000 0.312 174 V C -1.036 174.644 176.094 -0.690 0.000 1.061 174 V CA -0.404 61.518 62.300 -0.630 0.000 0.931 174 V CB 1.706 33.244 31.823 -0.474 0.000 1.010 174 V HN 0.561 nan 8.190 nan 0.000 0.433 175 W N 3.395 124.567 121.300 -0.214 0.000 2.785 175 W HA 0.700 5.360 4.660 0.000 0.000 0.333 175 W C -0.717 175.687 176.519 -0.191 0.000 1.062 175 W CA -0.662 56.616 57.345 -0.112 0.000 1.233 175 W CB 1.732 31.131 29.460 -0.102 0.000 1.413 175 W HN 0.368 nan 8.180 nan 0.000 0.489 176 L N 4.860 126.148 121.223 0.108 0.000 2.281 176 L HA 0.561 4.901 4.340 0.000 0.000 0.285 176 L C -0.707 176.229 176.870 0.111 0.000 1.074 176 L CA -0.395 54.419 54.840 -0.043 0.000 0.817 176 L CB 0.064 42.102 42.059 -0.035 0.000 1.168 176 L HN 0.349 nan 8.230 nan 0.000 0.434 177 I N 5.834 126.474 120.570 0.118 0.000 2.389 177 I HA 0.376 4.546 4.170 0.000 0.000 0.288 177 I C -0.826 175.430 176.117 0.232 0.000 0.999 177 I CA -0.730 60.658 61.300 0.148 0.000 1.129 177 I CB 1.868 39.923 38.000 0.092 0.000 1.288 177 I HN 0.219 nan 8.210 nan 0.000 0.444 178 V N 5.262 125.275 119.914 0.164 0.000 2.417 178 V HA 0.614 4.734 4.120 0.000 0.000 0.291 178 V C 0.236 176.421 176.094 0.151 0.000 1.024 178 V CA -0.253 62.146 62.300 0.164 0.000 0.861 178 V CB 1.864 33.757 31.823 0.115 0.000 0.985 178 V HN 0.896 nan 8.190 nan 0.000 0.436 179 T N 1.218 115.889 114.554 0.196 0.000 2.838 179 T HA 0.595 4.945 4.350 0.000 0.000 0.292 179 T C -0.438 174.333 174.700 0.118 0.000 1.113 179 T CA -0.914 61.270 62.100 0.140 0.000 1.008 179 T CB 1.987 70.936 68.868 0.135 0.000 1.259 179 T HN 0.426 nan 8.240 nan 0.000 0.520 180 E N 0.736 120.985 120.200 0.082 0.000 2.435 180 E HA 0.050 4.400 4.350 0.000 0.000 0.256 180 E C 1.025 177.672 176.600 0.079 0.000 1.245 180 E CA -0.174 56.265 56.400 0.065 0.000 0.989 180 E CB 0.368 30.095 29.700 0.046 0.000 0.983 180 E HN 0.801 nan 8.360 nan 0.000 0.480 181 Q N 0.291 120.125 119.800 0.058 0.000 2.291 181 Q HA -0.075 4.265 4.340 0.000 0.000 0.206 181 Q C -0.329 175.713 176.000 0.070 0.000 0.976 181 Q CA 1.202 57.039 55.803 0.057 0.000 0.875 181 Q CB 0.215 28.977 28.738 0.039 0.000 0.927 181 Q HN 0.322 nan 8.270 nan 0.000 0.450 182 N N 1.323 120.061 118.700 0.063 0.000 2.372 182 N HA 0.262 5.002 4.740 0.000 0.000 0.285 182 N C -1.270 174.278 175.510 0.063 0.000 1.008 182 N CA -0.443 52.647 53.050 0.067 0.000 0.880 182 N CB 1.415 39.934 38.487 0.053 0.000 1.239 182 N HN 0.186 nan 8.380 nan 0.000 0.484 183 N N 0.792 119.533 118.700 0.068 0.000 2.732 183 N HA 0.390 5.130 4.740 0.000 0.000 0.259 183 N C -1.212 174.317 175.510 0.032 0.000 1.402 183 N CA -0.649 52.426 53.050 0.041 0.000 0.829 183 N CB 0.788 39.297 38.487 0.036 0.000 1.495 183 N HN 0.296 nan 8.380 nan 0.000 0.511 184 I N 0.481 121.051 120.570 -0.000 0.000 2.471 184 I HA 0.107 4.277 4.170 0.000 0.000 0.286 184 I C 0.989 177.071 176.117 -0.059 0.000 1.079 184 I CA -0.296 60.998 61.300 -0.009 0.000 1.398 184 I CB 0.841 38.825 38.000 -0.027 0.000 1.403 184 I HN 0.548 nan 8.210 nan 0.000 0.530 185 T N 5.738 120.270 114.554 -0.037 0.000 2.871 185 T HA 0.037 4.387 4.350 0.000 0.000 0.296 185 T C 0.925 175.528 174.700 -0.162 0.000 0.998 185 T CA -0.161 61.898 62.100 -0.068 0.000 1.162 185 T CB 0.558 69.423 68.868 -0.005 0.000 0.947 185 T HN 0.520 nan 8.240 nan 0.000 0.536 186 V N 3.472 123.192 119.914 -0.323 0.000 3.647 186 V HA 0.319 4.439 4.120 0.000 0.000 0.279 186 V C 1.454 177.417 176.094 -0.219 0.000 1.314 186 V CA 0.875 62.941 62.300 -0.391 0.000 1.125 186 V CB 0.027 31.390 31.823 -0.766 0.000 0.907 186 V HN 0.856 nan 8.190 nan 0.000 0.434 187 T N 1.290 115.784 114.554 -0.101 0.000 3.243 187 T HA 0.228 4.578 4.350 0.000 0.000 0.264 187 T C 0.126 174.862 174.700 0.059 0.000 1.000 187 T CA 0.269 62.392 62.100 0.038 0.000 0.901 187 T CB -0.394 68.555 68.868 0.134 0.000 1.083 187 T HN 0.647 nan 8.240 nan 0.000 0.559 188 D N 0.901 121.326 120.400 0.040 0.000 2.557 188 D HA 0.197 4.837 4.640 0.000 0.000 0.236 188 D C 0.292 176.644 176.300 0.087 0.000 1.154 188 D CA -0.616 53.424 54.000 0.067 0.000 0.985 188 D CB -0.936 39.912 40.800 0.080 0.000 1.010 188 D HN 0.198 nan 8.370 nan 0.000 0.516 189 C N 3.106 122.465 119.300 0.098 0.000 4.454 189 C HA -0.094 4.366 4.460 0.000 0.000 0.301 189 C C 1.453 176.515 174.990 0.119 0.000 1.366 189 C CA 0.152 59.243 59.018 0.122 0.000 2.016 189 C CB -2.804 25.001 27.740 0.108 0.000 1.253 189 C HN 1.037 nan 8.230 nan 0.000 0.770 190 A N -0.729 122.152 122.820 0.101 0.000 2.744 190 A HA -0.122 4.198 4.320 0.000 0.000 0.300 190 A C 0.997 178.605 177.584 0.040 0.000 1.512 190 A CA 1.791 53.868 52.037 0.066 0.000 0.851 190 A CB -1.630 17.425 19.000 0.092 0.000 0.987 190 A HN 2.396 nan 8.150 nan 0.000 0.507 191 S N -1.470 114.250 115.700 0.034 0.000 2.686 191 S HA 0.652 5.123 4.470 0.000 0.000 0.270 191 S C -0.934 173.607 174.600 -0.097 0.000 1.194 191 S CA -0.601 57.598 58.200 -0.002 0.000 0.990 191 S CB 0.692 63.915 63.200 0.039 0.000 1.029 191 S HN 0.117 nan 8.310 nan 0.000 0.560 192 P HA 0.200 nan 4.420 nan 0.000 0.226 192 P C 0.985 178.139 177.300 -0.242 0.000 1.153 192 P CA 1.352 64.329 63.100 -0.205 0.000 0.777 192 P CB -0.408 31.160 31.700 -0.220 0.000 0.794 193 G N -2.117 106.489 108.800 -0.323 0.000 2.157 193 G HA2 -0.180 3.780 3.960 0.000 0.000 0.248 193 G HA3 -0.180 3.780 3.960 0.000 0.000 0.248 193 G C 0.035 174.743 174.900 -0.319 0.000 0.979 193 G CA -0.047 44.909 45.100 -0.239 0.000 0.650 193 G HN 0.357 nan 8.290 nan 0.000 0.529 194 V N -0.215 119.353 119.914 -0.577 0.000 2.876 194 V HA 0.810 4.931 4.120 0.000 0.000 0.312 194 V C -0.859 174.770 176.094 -0.776 0.000 1.085 194 V CA -1.059 60.986 62.300 -0.425 0.000 0.945 194 V CB 2.037 33.733 31.823 -0.213 0.000 1.017 194 V HN 0.275 nan 8.190 nan 0.000 0.428 195 Y N 3.490 123.755 120.300 -0.059 0.000 2.361 195 Y HA 0.653 5.203 4.550 0.000 0.000 0.328 195 Y C -0.379 175.570 175.900 0.083 0.000 1.044 195 Y CA -0.536 57.518 58.100 -0.077 0.000 1.085 195 Y CB 1.855 40.047 38.460 -0.447 0.000 1.194 195 Y HN 0.414 nan 8.280 nan 0.000 0.438 196 I N 3.814 124.605 120.570 0.367 0.000 2.382 196 I HA 0.456 4.626 4.170 0.000 0.000 0.286 196 I C -0.156 176.134 176.117 0.287 0.000 1.002 196 I CA -0.520 60.921 61.300 0.234 0.000 1.135 196 I CB 1.764 39.822 38.000 0.096 0.000 1.288 196 I HN 0.649 nan 8.210 nan 0.000 0.448 197 T N 2.630 117.316 114.554 0.219 0.000 2.950 197 T HA 0.752 5.102 4.350 0.000 0.000 0.288 197 T C -0.659 174.071 174.700 0.049 0.000 1.035 197 T CA -0.818 61.372 62.100 0.149 0.000 1.028 197 T CB 1.940 70.918 68.868 0.184 0.000 1.109 197 T HN 0.623 nan 8.240 nan 0.000 0.514 198 Q N 0.400 120.199 119.800 -0.002 0.000 2.456 198 Q HA 0.741 5.081 4.340 0.000 0.000 0.283 198 Q C -1.438 174.543 176.000 -0.032 0.000 1.084 198 Q CA -1.263 54.524 55.803 -0.027 0.000 0.801 198 Q CB 2.693 31.393 28.738 -0.063 0.000 1.434 198 Q HN 0.741 nan 8.270 nan 0.000 0.419 199 K N 0.523 120.905 120.400 -0.031 0.000 2.572 199 K HA 0.134 4.454 4.320 0.000 0.000 0.263 199 K C -1.517 175.066 176.600 -0.028 0.000 0.932 199 K CA -0.500 55.771 56.287 -0.027 0.000 0.838 199 K CB 1.384 33.876 32.500 -0.013 0.000 1.366 199 K HN 0.793 nan 8.250 nan 0.000 0.425 200 D N 1.257 121.639 120.400 -0.030 0.000 2.803 200 D HA -0.139 4.501 4.640 0.000 0.000 0.233 200 D C -0.645 175.640 176.300 -0.026 0.000 1.182 200 D CA 0.813 54.797 54.000 -0.026 0.000 0.726 200 D CB -0.870 39.919 40.800 -0.019 0.000 0.987 200 D HN 0.148 nan 8.370 nan 0.000 0.412 201 V N 0.708 120.602 119.914 -0.034 0.000 2.439 201 V HA 0.659 4.779 4.120 0.000 0.000 0.282 201 V C 0.690 176.772 176.094 -0.020 0.000 1.039 201 V CA 0.060 62.342 62.300 -0.030 0.000 0.913 201 V CB 1.842 33.638 31.823 -0.046 0.000 0.983 201 V HN 0.549 nan 8.190 nan 0.000 0.460 202 S N 2.894 118.589 115.700 -0.009 0.000 2.627 202 S HA 0.387 4.857 4.470 0.000 0.000 0.268 202 S C 0.264 174.867 174.600 0.005 0.000 1.130 202 S CA -0.917 57.282 58.200 -0.002 0.000 0.819 202 S CB 1.356 64.551 63.200 -0.008 0.000 1.100 202 S HN 0.481 nan 8.310 nan 0.000 0.465 203 K N 0.939 121.343 120.400 0.006 0.000 2.148 203 K HA -0.231 4.089 4.320 0.000 0.000 0.213 203 K C 1.818 178.418 176.600 -0.001 0.000 1.050 203 K CA 2.293 58.581 56.287 0.002 0.000 0.932 203 K CB -0.374 32.123 32.500 -0.005 0.000 0.717 203 K HN 0.502 nan 8.250 nan 0.000 0.462 204 K N -0.037 120.361 120.400 -0.003 0.000 2.031 204 K HA -0.042 4.278 4.320 0.000 0.000 0.205 204 K C 1.089 177.689 176.600 0.000 0.000 1.049 204 K CA 1.253 57.538 56.287 -0.003 0.000 0.939 204 K CB 0.157 32.654 32.500 -0.005 0.000 0.717 204 K HN 0.264 nan 8.250 nan 0.000 0.438 205 S N -1.551 114.149 115.700 -0.001 0.000 2.636 205 S HA 0.677 5.147 4.470 0.000 0.000 0.266 205 S C -1.837 172.758 174.600 -0.008 0.000 1.147 205 S CA -0.809 57.390 58.200 -0.001 0.000 0.815 205 S CB 1.845 65.045 63.200 0.001 0.000 1.119 205 S HN 0.159 nan 8.310 nan 0.000 0.470 206 A N 0.549 123.360 122.820 -0.014 0.000 2.566 206 A HA 0.686 5.006 4.320 0.000 0.000 0.297 206 A C -2.170 175.407 177.584 -0.013 0.000 1.059 206 A CA -0.706 51.317 52.037 -0.022 0.000 0.691 206 A CB 1.387 20.363 19.000 -0.041 0.000 1.282 206 A HN 0.691 nan 8.150 nan 0.000 0.401 207 D N 2.695 123.092 120.400 -0.006 0.000 2.396 207 D HA 0.409 5.049 4.640 0.000 0.000 0.225 207 D C -0.081 176.234 176.300 0.025 0.000 1.121 207 D CA 0.182 54.191 54.000 0.016 0.000 0.853 207 D CB 0.836 41.641 40.800 0.008 0.000 1.043 207 D HN 0.372 nan 8.370 nan 0.000 0.500 208 I N 1.714 122.323 120.570 0.065 0.000 2.336 208 I HA 0.232 4.402 4.170 0.000 0.000 0.292 208 I C 0.664 176.881 176.117 0.167 0.000 0.991 208 I CA -0.344 61.004 61.300 0.080 0.000 1.227 208 I CB 1.185 39.193 38.000 0.014 0.000 1.366 208 I HN -0.009 nan 8.210 nan 0.000 0.466 209 T N 5.690 120.315 114.554 0.118 0.000 2.824 209 T HA 0.520 4.871 4.350 0.000 0.000 0.280 209 T C -0.057 174.729 174.700 0.143 0.000 0.995 209 T CA -0.422 61.748 62.100 0.117 0.000 1.009 209 T CB 2.208 71.114 68.868 0.063 0.000 0.955 209 T HN 0.284 nan 8.240 nan 0.000 0.452 210 V N 4.174 124.186 119.914 0.164 0.000 2.378 210 V HA 0.440 4.560 4.120 0.000 0.000 0.288 210 V C 0.114 176.270 176.094 0.103 0.000 1.016 210 V CA -0.809 61.580 62.300 0.148 0.000 0.840 210 V CB 1.553 33.494 31.823 0.197 0.000 0.994 210 V HN 0.687 nan 8.190 nan 0.000 0.431 211 K N 4.295 124.761 120.400 0.110 0.000 2.185 211 K HA 0.740 5.060 4.320 0.000 0.000 0.269 211 K C -1.448 175.226 176.600 0.125 0.000 0.987 211 K CA -0.367 55.982 56.287 0.103 0.000 0.865 211 K CB 1.771 34.327 32.500 0.093 0.000 1.090 211 K HN 0.481 nan 8.250 nan 0.000 0.450 212 V N 4.225 124.216 119.914 0.127 0.000 2.656 212 V HA 0.363 4.483 4.120 0.000 0.000 0.307 212 V C -0.753 175.435 176.094 0.157 0.000 1.051 212 V CA -0.964 61.412 62.300 0.126 0.000 0.893 212 V CB 1.901 33.805 31.823 0.135 0.000 0.999 212 V HN 0.727 nan 8.190 nan 0.000 0.426 213 K N 4.722 125.193 120.400 0.119 0.000 2.339 213 K HA 0.675 4.995 4.320 0.000 0.000 0.264 213 K C -1.234 175.439 176.600 0.121 0.000 0.986 213 K CA -0.415 55.939 56.287 0.112 0.000 0.866 213 K CB 1.571 34.123 32.500 0.086 0.000 1.103 213 K HN 0.494 nan 8.250 nan 0.000 0.441 214 L N 1.777 123.110 121.223 0.184 0.000 2.344 214 L HA 0.464 4.804 4.340 0.000 0.000 0.272 214 L C -0.434 176.518 176.870 0.136 0.000 1.035 214 L CA -0.738 54.209 54.840 0.179 0.000 0.807 214 L CB 1.356 43.579 42.059 0.273 0.000 1.237 214 L HN 0.574 nan 8.230 nan 0.000 0.442 215 D N 0.778 121.246 120.400 0.114 0.000 2.863 215 D HA 0.218 4.858 4.640 0.000 0.000 0.245 215 D C -1.106 175.256 176.300 0.104 0.000 1.211 215 D CA -0.472 53.589 54.000 0.101 0.000 0.888 215 D CB 1.272 42.127 40.800 0.092 0.000 1.483 215 D HN 0.376 nan 8.370 nan 0.000 0.533 216 N N 2.912 121.671 118.700 0.099 0.000 2.469 216 N HA 0.429 5.169 4.740 0.000 0.000 0.253 216 N C -0.396 175.158 175.510 0.073 0.000 0.970 216 N CA -0.592 52.511 53.050 0.088 0.000 0.940 216 N CB 1.583 40.127 38.487 0.094 0.000 1.128 216 N HN 0.390 nan 8.380 nan 0.000 0.503 217 A N 2.373 125.235 122.820 0.069 0.000 2.337 217 A HA 0.383 4.703 4.320 0.000 0.000 0.227 217 A C 1.003 178.611 177.584 0.040 0.000 1.259 217 A CA 0.101 52.172 52.037 0.057 0.000 0.870 217 A CB -0.540 18.495 19.000 0.060 0.000 0.927 217 A HN 0.637 nan 8.150 nan 0.000 0.497 218 G N -1.345 107.480 108.800 0.041 0.000 2.532 218 G HA2 0.458 4.418 3.960 0.000 0.000 0.291 218 G HA3 0.458 4.418 3.960 0.000 0.000 0.291 218 G C 0.554 175.472 174.900 0.030 0.000 1.349 218 G CA -0.533 44.586 45.100 0.032 0.000 1.038 218 G HN 0.173 nan 8.290 nan 0.000 0.518 219 L N -0.712 120.525 121.223 0.025 0.000 2.590 219 L HA 0.258 4.598 4.340 0.000 0.000 0.227 219 L C 0.321 177.205 176.870 0.025 0.000 1.099 219 L CA 0.300 55.154 54.840 0.023 0.000 0.872 219 L CB 0.046 42.116 42.059 0.017 0.000 1.088 219 L HN 0.245 nan 8.230 nan 0.000 0.479 220 Q N 0.065 119.882 119.800 0.028 0.000 2.394 220 Q HA 0.452 4.792 4.340 0.000 0.000 0.273 220 Q C -2.439 173.584 176.000 0.039 0.000 1.089 220 Q CA -2.290 53.531 55.803 0.030 0.000 0.812 220 Q CB 1.336 30.089 28.738 0.024 0.000 1.353 220 Q HN -0.194 nan 8.270 nan 0.000 0.438 221 P HA 0.042 nan 4.420 nan 0.000 0.266 221 P C -1.205 176.129 177.300 0.057 0.000 1.186 221 P CA 0.323 63.459 63.100 0.060 0.000 0.767 221 P CB 0.436 32.172 31.700 0.060 0.000 0.820 222 A N 2.319 125.183 122.820 0.072 0.000 2.330 222 A HA 0.662 4.982 4.320 0.000 0.000 0.313 222 A C -0.280 177.326 177.584 0.037 0.000 1.124 222 A CA -0.657 51.409 52.037 0.049 0.000 0.774 222 A CB 1.026 20.055 19.000 0.049 0.000 1.198 222 A HN 0.512 nan 8.150 nan 0.000 0.465 223 A N 2.493 125.312 122.820 -0.001 0.000 2.310 223 A HA 0.584 4.904 4.320 0.000 0.000 0.300 223 A C 0.348 177.862 177.584 -0.118 0.000 1.269 223 A CA 0.194 52.203 52.037 -0.047 0.000 0.909 223 A CB -0.562 18.416 19.000 -0.035 0.000 1.144 223 A HN 2.109 nan 8.150 nan 0.000 0.540 224 V N 0.148 119.912 119.914 -0.250 0.000 3.105 224 V HA 0.948 5.068 4.120 0.000 0.000 0.311 224 V C -0.290 175.496 176.094 -0.514 0.000 1.287 224 V CA -0.652 61.461 62.300 -0.312 0.000 1.066 224 V CB 1.630 33.289 31.823 -0.273 0.000 1.105 224 V HN 0.619 nan 8.190 nan 0.000 0.462 225 T N 2.090 116.394 114.554 -0.417 0.000 2.971 225 T HA 0.608 4.958 4.350 0.000 0.000 0.304 225 T C -1.435 173.095 174.700 -0.284 0.000 1.038 225 T CA -0.120 61.737 62.100 -0.405 0.000 1.007 225 T CB 1.381 70.112 68.868 -0.228 0.000 1.055 225 T HN 0.891 nan 8.240 nan 0.000 0.451 226 L N 3.223 124.294 121.223 -0.253 0.000 2.280 226 L HA 0.562 4.902 4.340 0.000 0.000 0.287 226 L C -0.242 176.636 176.870 0.014 0.000 1.023 226 L CA -0.126 54.673 54.840 -0.068 0.000 0.819 226 L CB 0.910 42.977 42.059 0.014 0.000 1.212 226 L HN 0.616 nan 8.230 nan 0.000 0.420 227 E N 3.720 123.938 120.200 0.029 0.000 2.114 227 E HA 0.363 4.713 4.350 0.000 0.000 0.266 227 E C -1.077 175.587 176.600 0.107 0.000 0.896 227 E CA -0.611 55.826 56.400 0.062 0.000 0.750 227 E CB 0.832 30.553 29.700 0.035 0.000 1.121 227 E HN 0.535 nan 8.360 nan 0.000 0.413 228 N N 2.043 120.851 118.700 0.179 0.000 2.408 228 N HA 0.376 5.117 4.740 0.000 0.000 0.280 228 N C -1.132 174.505 175.510 0.213 0.000 1.002 228 N CA -0.271 52.908 53.050 0.215 0.000 0.907 228 N CB 2.015 40.694 38.487 0.320 0.000 1.161 228 N HN 0.221 nan 8.380 nan 0.000 0.488 229 T N 1.695 116.283 114.554 0.058 0.000 2.876 229 T HA 0.551 4.901 4.350 0.000 0.000 0.289 229 T C 0.240 174.765 174.700 -0.290 0.000 1.014 229 T CA -0.494 61.526 62.100 -0.134 0.000 0.986 229 T CB 1.227 69.932 68.868 -0.270 0.000 1.021 229 T HN 0.215 nan 8.240 nan 0.000 0.458 230 I N 3.183 123.492 120.570 -0.436 0.000 2.339 230 I HA 0.404 4.575 4.170 0.000 0.000 0.290 230 I C -0.889 175.057 176.117 -0.285 0.000 0.994 230 I CA -0.816 60.277 61.300 -0.345 0.000 1.191 230 I CB 0.789 38.511 38.000 -0.464 0.000 1.343 230 I HN 0.582 nan 8.210 nan 0.000 0.458 231 Y N 3.133 123.473 120.300 0.067 0.000 2.496 231 Y HA 0.381 4.932 4.550 0.000 0.000 0.331 231 Y C 1.075 177.077 175.900 0.170 0.000 1.140 231 Y CA -0.759 57.398 58.100 0.096 0.000 1.166 231 Y CB 1.617 40.099 38.460 0.038 0.000 1.249 231 Y HN 0.525 nan 8.280 nan 0.000 0.479 232 T N -2.101 112.617 114.554 0.273 0.000 2.904 232 T HA 0.120 4.470 4.350 0.000 0.000 0.290 232 T C 1.001 175.694 174.700 -0.011 0.000 1.018 232 T CA -0.648 61.501 62.100 0.082 0.000 1.075 232 T CB 1.424 70.374 68.868 0.137 0.000 0.986 232 T HN 0.844 nan 8.240 nan 0.000 0.523 233 Q N 0.765 120.420 119.800 -0.241 0.000 2.065 233 Q HA -0.305 4.036 4.340 0.000 0.000 0.213 233 Q C 1.740 177.676 176.000 -0.107 0.000 1.012 233 Q CA 2.685 58.293 55.803 -0.324 0.000 0.876 233 Q CB -0.350 27.984 28.738 -0.673 0.000 0.954 233 Q HN 0.887 nan 8.270 nan 0.000 0.413 234 E N -1.137 119.056 120.200 -0.012 0.000 2.463 234 E HA 0.032 4.382 4.350 0.000 0.000 0.201 234 E C 0.913 177.523 176.600 0.017 0.000 1.045 234 E CA 0.864 57.272 56.400 0.013 0.000 0.872 234 E CB -0.097 29.635 29.700 0.054 0.000 0.797 234 E HN 0.625 nan 8.360 nan 0.000 0.538 235 G N -0.125 108.700 108.800 0.042 0.000 2.135 235 G HA2 -0.204 3.756 3.960 0.000 0.000 0.183 235 G HA3 -0.204 3.756 3.960 0.000 0.000 0.183 235 G C -0.324 174.678 174.900 0.171 0.000 1.004 235 G CA -0.477 44.650 45.100 0.045 0.000 0.677 235 G HN 0.045 nan 8.290 nan 0.000 0.512 236 Q N 0.265 120.192 119.800 0.212 0.000 2.245 236 Q HA 0.485 4.825 4.340 0.000 0.000 0.256 236 Q C 0.568 176.711 176.000 0.239 0.000 0.942 236 Q CA -0.518 55.415 55.803 0.216 0.000 0.896 236 Q CB 1.568 30.384 28.738 0.130 0.000 1.272 236 Q HN 0.442 nan 8.270 nan 0.000 0.442 237 K N 0.227 120.725 120.400 0.164 0.000 2.397 237 K HA 0.134 4.454 4.320 0.000 0.000 0.265 237 K C 0.251 176.848 176.600 -0.005 0.000 0.982 237 K CA 0.178 56.437 56.287 -0.047 0.000 0.931 237 K CB 0.508 32.978 32.500 -0.050 0.000 0.943 237 K HN 0.317 nan 8.250 nan 0.000 0.501 238 V N 0.106 119.989 119.914 -0.052 0.000 4.370 238 V HA 0.215 4.335 4.120 0.000 0.000 0.404 238 V C -0.920 175.179 176.094 0.008 0.000 1.779 238 V CA 0.423 62.734 62.300 0.018 0.000 1.757 238 V CB 0.796 32.674 31.823 0.092 0.000 1.041 238 V HN 0.932 nan 8.190 nan 0.000 0.433 239 G N 0.229 109.022 108.800 -0.011 0.000 2.174 239 G HA2 0.476 4.436 3.960 0.000 0.000 0.312 239 G HA3 0.476 4.436 3.960 0.000 0.000 0.312 239 G C -0.861 174.165 174.900 0.211 0.000 1.663 239 G CA 0.238 45.426 45.100 0.147 0.000 0.920 239 G HN 0.086 nan 8.290 nan 0.000 0.664 240 T N 2.297 117.023 114.554 0.287 0.000 2.881 240 T HA 0.580 4.930 4.350 0.000 0.000 0.290 240 T C -1.050 173.781 174.700 0.218 0.000 1.000 240 T CA -0.624 61.626 62.100 0.251 0.000 0.978 240 T CB 1.715 70.629 68.868 0.077 0.000 0.997 240 T HN 0.644 nan 8.240 nan 0.000 0.443 241 H N 1.458 120.597 119.070 0.115 0.000 2.529 241 H HA 0.666 5.222 4.556 0.000 0.000 0.348 241 H C -1.383 173.947 175.328 0.002 0.000 1.079 241 H CA -0.339 55.671 56.048 -0.064 0.000 1.198 241 H CB 1.854 31.444 29.762 -0.287 0.000 1.521 241 H HN 0.633 nan 8.280 nan 0.000 0.514 242 S N 5.383 120.904 115.700 -0.298 0.000 2.619 242 S HA 0.472 4.942 4.470 0.000 0.000 0.280 242 S C -1.293 173.197 174.600 -0.183 0.000 1.150 242 S CA -0.831 57.296 58.200 -0.121 0.000 0.978 242 S CB 0.975 64.121 63.200 -0.089 0.000 1.041 242 S HN 0.821 nan 8.310 nan 0.000 0.485 243 R N 3.242 123.720 120.500 -0.037 0.000 2.533 243 R HA 0.555 4.896 4.340 0.000 0.000 0.288 243 R C -1.299 174.966 176.300 -0.058 0.000 1.039 243 R CA -0.339 55.777 56.100 0.027 0.000 0.909 243 R CB 1.770 32.208 30.300 0.230 0.000 1.195 243 R HN 0.624 nan 8.270 nan 0.000 0.438 244 S N 3.437 119.084 115.700 -0.087 0.000 2.654 244 S HA 0.802 5.272 4.470 0.000 0.000 0.283 244 S C -0.985 173.543 174.600 -0.119 0.000 1.180 244 S CA -0.326 57.708 58.200 -0.278 0.000 1.021 244 S CB 0.863 63.964 63.200 -0.165 0.000 1.018 244 S HN 0.492 nan 8.310 nan 0.000 0.532 245 F N -1.296 118.622 119.950 -0.053 0.000 3.394 245 F HA 0.397 4.924 4.527 0.000 0.000 0.329 245 F C -2.069 173.724 175.800 -0.012 0.000 1.063 245 F CA -1.294 56.693 58.000 -0.022 0.000 0.832 245 F CB 0.308 39.303 39.000 -0.009 0.000 1.530 245 F HN 0.269 nan 8.300 nan 0.000 0.459 246 D N 2.570 123.225 120.400 0.424 0.000 2.412 246 D HA 0.332 4.972 4.640 0.000 0.000 0.224 246 D C -0.704 175.845 176.300 0.415 0.000 1.093 246 D CA -0.132 54.044 54.000 0.295 0.000 0.850 246 D CB 1.885 42.780 40.800 0.158 0.000 1.046 246 D HN 0.586 nan 8.370 nan 0.000 0.507 247 L N 2.830 124.305 121.223 0.420 0.000 2.456 247 L HA 0.068 4.408 4.340 0.000 0.000 0.277 247 L C 0.426 177.420 176.870 0.206 0.000 1.124 247 L CA 0.088 55.157 54.840 0.381 0.000 0.880 247 L CB 0.274 42.531 42.059 0.329 0.000 1.192 247 L HN 0.144 nan 8.230 nan 0.000 0.463 248 S N 6.878 122.675 115.700 0.161 0.000 2.573 248 S HA 0.303 4.773 4.470 0.000 0.000 0.277 248 S C -1.439 173.211 174.600 0.082 0.000 1.346 248 S CA -0.723 57.535 58.200 0.097 0.000 1.034 248 S CB 0.640 63.876 63.200 0.060 0.000 0.879 248 S HN 0.702 nan 8.310 nan 0.000 0.528 249 P HA 0.012 nan 4.420 nan 0.000 0.231 249 P C -0.470 176.855 177.300 0.042 0.000 1.168 249 P CA 0.648 63.779 63.100 0.052 0.000 0.779 249 P CB 0.080 31.805 31.700 0.042 0.000 0.844 250 Q N 1.064 120.884 119.800 0.034 0.000 2.390 250 Q HA 0.488 4.828 4.340 0.000 0.000 0.249 250 Q C 0.430 176.441 176.000 0.017 0.000 0.996 250 Q CA -0.351 55.465 55.803 0.022 0.000 0.899 250 Q CB 0.840 29.587 28.738 0.014 0.000 1.216 250 Q HN 0.116 nan 8.270 nan 0.000 0.465 251 G N 1.870 110.682 108.800 0.020 0.000 2.764 251 G HA2 -0.243 3.717 3.960 0.000 0.000 0.686 251 G HA3 -0.243 3.717 3.960 0.000 0.000 0.686 251 G C -0.088 174.824 174.900 0.020 0.000 1.258 251 G CA -0.295 44.813 45.100 0.013 0.000 0.846 251 G HN 0.613 nan 8.290 nan 0.000 0.596 252 T N 1.442 116.010 114.554 0.023 0.000 2.932 252 T HA 0.494 4.844 4.350 0.000 0.000 0.312 252 T C 0.274 174.972 174.700 -0.004 0.000 1.071 252 T CA 0.541 62.659 62.100 0.031 0.000 1.128 252 T CB 0.654 69.545 68.868 0.038 0.000 0.984 252 T HN 0.683 nan 8.240 nan 0.000 0.549 253 Q N 2.545 122.350 119.800 0.008 0.000 2.387 253 Q HA 0.474 4.814 4.340 0.000 0.000 0.273 253 Q C -0.668 175.232 176.000 -0.167 0.000 1.089 253 Q CA -0.706 55.031 55.803 -0.111 0.000 0.824 253 Q CB 2.240 30.919 28.738 -0.097 0.000 1.367 253 Q HN 0.778 nan 8.270 nan 0.000 0.443 254 T N 1.720 116.033 114.554 -0.403 0.000 2.829 254 T HA 0.675 5.025 4.350 0.000 0.000 0.280 254 T C -1.042 173.298 174.700 -0.601 0.000 0.999 254 T CA -0.360 61.551 62.100 -0.315 0.000 0.983 254 T CB 0.433 69.176 68.868 -0.209 0.000 0.968 254 T HN 0.274 nan 8.240 nan 0.000 0.446 255 Y N 1.375 121.643 120.300 -0.053 0.000 2.477 255 Y HA 0.596 5.146 4.550 0.000 0.000 0.347 255 Y C -0.315 175.554 175.900 -0.052 0.000 0.981 255 Y CA -1.219 56.841 58.100 -0.065 0.000 1.033 255 Y CB 1.464 39.902 38.460 -0.038 0.000 1.245 255 Y HN 0.371 nan 8.280 nan 0.000 0.455 256 L N 2.326 123.584 121.223 0.057 0.000 2.325 256 L HA 0.710 5.050 4.340 0.000 0.000 0.278 256 L C -0.436 176.310 176.870 -0.207 0.000 1.023 256 L CA -0.577 54.236 54.840 -0.045 0.000 0.811 256 L CB 1.816 43.834 42.059 -0.069 0.000 1.249 256 L HN 0.587 nan 8.230 nan 0.000 0.431 257 S N 0.305 115.846 115.700 -0.265 0.000 2.526 257 S HA 0.678 5.148 4.470 0.000 0.000 0.293 257 S C -0.369 173.983 174.600 -0.414 0.000 1.092 257 S CA -0.728 57.092 58.200 -0.633 0.000 0.980 257 S CB 2.139 65.072 63.200 -0.446 0.000 1.048 257 S HN 0.710 nan 8.310 nan 0.000 0.483 258 T N 0.169 114.378 114.554 -0.576 0.000 2.887 258 T HA 0.835 5.185 4.350 0.000 0.000 0.288 258 T C -0.964 173.414 174.700 -0.537 0.000 1.021 258 T CA -0.658 61.254 62.100 -0.314 0.000 1.000 258 T CB 0.544 69.320 68.868 -0.153 0.000 1.034 258 T HN 0.378 nan 8.240 nan 0.000 0.467 259 F N 0.516 120.446 119.950 -0.033 0.000 2.569 259 F HA 0.576 5.103 4.527 0.000 0.000 0.312 259 F C 0.053 175.832 175.800 -0.036 0.000 1.109 259 F CA -1.279 56.706 58.000 -0.024 0.000 0.919 259 F CB 2.475 41.453 39.000 -0.038 0.000 1.211 259 F HN 0.601 nan 8.300 nan 0.000 0.446 260 K N 3.273 123.761 120.400 0.147 0.000 2.263 260 K HA 0.558 4.878 4.320 0.000 0.000 0.272 260 K C -1.644 174.995 176.600 0.066 0.000 1.033 260 K CA -0.629 55.703 56.287 0.075 0.000 0.884 260 K CB 0.890 33.414 32.500 0.040 0.000 1.107 260 K HN 0.570 nan 8.250 nan 0.000 0.460 261 L N 3.874 125.111 121.223 0.024 0.000 2.257 261 L HA 0.286 4.627 4.340 0.000 0.000 0.290 261 L C 0.285 177.161 176.870 0.009 0.000 1.044 261 L CA 0.325 55.164 54.840 -0.001 0.000 0.810 261 L CB 0.745 42.756 42.059 -0.081 0.000 1.193 261 L HN 0.704 nan 8.230 nan 0.000 0.425 262 K N 2.416 122.829 120.400 0.023 0.000 2.368 262 K HA 0.269 4.589 4.320 0.000 0.000 0.282 262 K C 0.505 177.118 176.600 0.023 0.000 1.035 262 K CA -0.011 56.288 56.287 0.020 0.000 0.973 262 K CB -0.935 31.578 32.500 0.021 0.000 0.957 262 K HN 0.794 nan 8.250 nan 0.000 0.474 263 N N 1.228 119.936 118.700 0.014 0.000 2.650 263 N HA -0.132 4.608 4.740 0.000 0.000 0.272 263 N C -2.460 173.069 175.510 0.032 0.000 1.058 263 N CA 0.493 53.548 53.050 0.010 0.000 0.765 263 N CB -1.085 37.399 38.487 -0.004 0.000 0.902 263 N HN 0.699 nan 8.380 nan 0.000 0.551 264 P HA -0.085 nan 4.420 nan 0.000 0.268 264 P C -0.406 176.991 177.300 0.162 0.000 1.205 264 P CA 0.440 63.610 63.100 0.117 0.000 0.771 264 P CB 0.495 32.232 31.700 0.062 0.000 0.858 265 H N 3.077 122.201 119.070 0.090 0.000 3.015 265 H HA 0.216 4.772 4.556 0.000 0.000 0.268 265 H C 0.105 175.471 175.328 0.064 0.000 1.113 265 H CA -0.607 55.351 56.048 -0.151 0.000 1.479 265 H CB -0.114 29.149 29.762 -0.833 0.000 1.493 265 H HN 0.273 nan 8.280 nan 0.000 0.486 266 L N 5.065 126.519 121.223 0.384 0.000 2.439 266 L HA -0.021 4.319 4.340 0.000 0.000 0.269 266 L C 0.056 177.124 176.870 0.330 0.000 1.179 266 L CA -0.271 54.748 54.840 0.299 0.000 0.828 266 L CB 0.563 42.728 42.059 0.176 0.000 1.106 266 L HN 0.679 nan 8.230 nan 0.000 0.467 267 W N 3.136 124.503 121.300 0.112 0.000 2.388 267 W HA 0.175 4.835 4.660 0.000 0.000 0.308 267 W C 0.394 176.930 176.519 0.028 0.000 1.263 267 W CA -0.135 57.251 57.345 0.068 0.000 1.286 267 W CB 0.657 30.134 29.460 0.029 0.000 1.294 267 W HN 0.417 nan 8.180 nan 0.000 0.493 268 Q N 5.536 125.125 119.800 -0.352 0.000 2.233 268 Q HA 0.334 4.674 4.340 0.000 0.000 0.340 268 Q C 0.754 176.475 176.000 -0.465 0.000 0.899 268 Q CA 0.503 56.148 55.803 -0.263 0.000 1.139 268 Q CB 0.248 28.946 28.738 -0.067 0.000 1.273 268 Q HN 0.808 nan 8.270 nan 0.000 0.431 269 G N 0.764 108.954 108.800 -1.016 0.000 2.574 269 G HA2 -0.418 3.542 3.960 0.000 0.000 0.282 269 G HA3 -0.418 3.542 3.960 0.000 0.000 0.282 269 G C 0.667 175.251 174.900 -0.527 0.000 1.257 269 G CA 0.219 44.814 45.100 -0.841 0.000 0.956 269 G HN 0.481 nan 8.290 nan 0.000 0.560 270 R N 0.184 120.586 120.500 -0.165 0.000 2.120 270 R HA -0.033 4.307 4.340 0.000 0.000 0.234 270 R C 2.777 179.011 176.300 -0.111 0.000 1.123 270 R CA 1.650 57.680 56.100 -0.116 0.000 0.975 270 R CB -0.302 29.966 30.300 -0.053 0.000 0.866 270 R HN 0.581 nan 8.270 nan 0.000 0.446 271 K N 0.081 120.437 120.400 -0.074 0.000 2.034 271 K HA -0.183 4.137 4.320 0.000 0.000 0.214 271 K C 0.257 176.818 176.600 -0.066 0.000 1.051 271 K CA 1.583 57.840 56.287 -0.051 0.000 0.931 271 K CB -0.045 32.451 32.500 -0.006 0.000 0.715 271 K HN 0.024 nan 8.250 nan 0.000 0.446 272 D N -1.438 118.884 120.400 -0.130 0.000 2.474 272 D HA 0.090 4.730 4.640 0.000 0.000 0.234 272 D C -2.799 173.357 176.300 -0.240 0.000 1.323 272 D CA -1.534 52.412 54.000 -0.090 0.000 0.915 272 D CB 1.123 41.948 40.800 0.042 0.000 1.487 272 D HN -0.144 nan 8.370 nan 0.000 0.524 273 P HA 0.131 nan 4.420 nan 0.000 0.214 273 P C -0.622 176.633 177.300 -0.075 0.000 1.826 273 P CA -0.359 62.442 63.100 -0.499 0.000 0.977 273 P CB -1.007 30.551 31.700 -0.237 0.000 1.930 274 Y N 2.107 122.301 120.300 -0.177 0.000 2.526 274 Y HA 0.192 4.742 4.550 0.000 0.000 0.330 274 Y C -0.187 175.751 175.900 0.063 0.000 1.156 274 Y CA 0.415 58.379 58.100 -0.227 0.000 1.419 274 Y CB 0.418 38.375 38.460 -0.838 0.000 1.250 274 Y HN 0.104 nan 8.280 nan 0.000 0.540 275 L N 7.574 128.462 121.223 -0.559 0.000 2.409 275 L HA 0.349 4.689 4.340 0.000 0.000 0.272 275 L C -1.114 175.522 176.870 -0.389 0.000 0.980 275 L CA -0.908 53.805 54.840 -0.212 0.000 0.826 275 L CB 1.426 43.432 42.059 -0.088 0.000 1.268 275 L HN 0.634 nan 8.230 nan 0.000 0.407 276 Y N 1.692 121.938 120.300 -0.090 0.000 2.300 276 Y HA 0.262 4.812 4.550 0.000 0.000 0.328 276 Y C 0.358 176.235 175.900 -0.038 0.000 1.270 276 Y CA -0.244 57.843 58.100 -0.022 0.000 1.352 276 Y CB 1.097 39.581 38.460 0.040 0.000 1.286 276 Y HN 0.402 nan 8.280 nan 0.000 0.536 277 K N 1.331 121.838 120.400 0.179 0.000 2.265 277 K HA 0.552 4.872 4.320 0.000 0.000 0.267 277 K C -1.816 174.881 176.600 0.162 0.000 0.994 277 K CA -0.423 55.941 56.287 0.128 0.000 0.860 277 K CB 0.782 33.343 32.500 0.102 0.000 1.099 277 K HN 0.458 nan 8.250 nan 0.000 0.448 278 V N 4.950 124.905 119.914 0.069 0.000 2.427 278 V HA 0.412 4.533 4.120 0.000 0.000 0.286 278 V C -0.734 175.391 176.094 0.051 0.000 1.034 278 V CA -0.822 61.490 62.300 0.021 0.000 0.893 278 V CB 1.610 33.404 31.823 -0.048 0.000 0.982 278 V HN 0.528 nan 8.190 nan 0.000 0.452 279 V N 3.794 123.756 119.914 0.080 0.000 2.447 279 V HA 0.329 4.449 4.120 0.000 0.000 0.292 279 V C -0.377 175.764 176.094 0.079 0.000 1.021 279 V CA -0.483 61.879 62.300 0.104 0.000 0.850 279 V CB 1.550 33.515 31.823 0.237 0.000 1.005 279 V HN 0.957 nan 8.190 nan 0.000 0.426 280 C N 5.477 124.806 119.300 0.049 0.000 2.273 280 C HA 0.676 5.136 4.460 0.000 0.000 0.328 280 C C 0.556 175.568 174.990 0.037 0.000 1.275 280 C CA -0.851 58.199 59.018 0.052 0.000 1.704 280 C CB 0.083 27.846 27.740 0.039 0.000 2.326 280 C HN 0.834 nan 8.230 nan 0.000 0.517 281 R N 1.956 122.481 120.500 0.041 0.000 2.494 281 R HA 0.664 5.004 4.340 0.000 0.000 0.305 281 R C -1.062 175.240 176.300 0.003 0.000 0.959 281 R CA -0.708 55.405 56.100 0.021 0.000 0.864 281 R CB 1.550 31.867 30.300 0.029 0.000 1.159 281 R HN 0.563 nan 8.270 nan 0.000 0.446 282 L N 3.959 125.177 121.223 -0.008 0.000 2.295 282 L HA 0.551 4.891 4.340 0.000 0.000 0.285 282 L C -1.093 175.752 176.870 -0.041 0.000 1.035 282 L CA 0.036 54.859 54.840 -0.028 0.000 0.806 282 L CB 1.343 43.395 42.059 -0.011 0.000 1.214 282 L HN 0.613 nan 8.230 nan 0.000 0.426 283 M N 4.778 124.333 119.600 -0.076 0.000 2.446 283 M HA 0.797 5.278 4.480 0.000 0.000 0.294 283 M C -0.917 175.329 176.300 -0.090 0.000 1.158 283 M CA -0.562 54.697 55.300 -0.069 0.000 0.899 283 M CB 2.322 34.884 32.600 -0.064 0.000 1.687 283 M HN 0.674 nan 8.290 nan 0.000 0.455 284 A N 1.045 123.827 122.820 -0.062 0.000 2.422 284 A HA 0.704 5.024 4.320 0.000 0.000 0.302 284 A C -0.551 177.007 177.584 -0.044 0.000 1.041 284 A CA -0.416 51.584 52.037 -0.061 0.000 0.708 284 A CB 0.942 19.915 19.000 -0.044 0.000 1.257 284 A HN 0.922 nan 8.150 nan 0.000 0.414 285 D N 0.836 121.209 120.400 -0.045 0.000 2.870 285 D HA -0.163 4.477 4.640 0.000 0.000 0.228 285 D C 1.310 177.592 176.300 -0.029 0.000 1.147 285 D CA 3.078 57.059 54.000 -0.032 0.000 0.757 285 D CB -1.101 39.687 40.800 -0.021 0.000 1.091 285 D HN 2.090 nan 8.370 nan 0.000 0.429 286 G N -1.154 107.624 108.800 -0.036 0.000 2.328 286 G HA2 -0.403 3.557 3.960 0.000 0.000 0.256 286 G HA3 -0.403 3.557 3.960 0.000 0.000 0.256 286 G C 0.440 175.327 174.900 -0.022 0.000 1.014 286 G CA 0.886 45.968 45.100 -0.029 0.000 0.620 286 G HN 0.510 nan 8.290 nan 0.000 0.530 287 K N 0.371 120.759 120.400 -0.019 0.000 2.144 287 K HA 0.562 4.882 4.320 0.000 0.000 0.270 287 K C -0.082 176.509 176.600 -0.015 0.000 1.005 287 K CA -0.498 55.782 56.287 -0.012 0.000 0.932 287 K CB 2.761 35.257 32.500 -0.007 0.000 1.021 287 K HN 0.204 nan 8.250 nan 0.000 0.462 288 V N 5.483 125.392 119.914 -0.009 0.000 2.408 288 V HA 0.084 4.204 4.120 0.000 0.000 0.267 288 V C 0.979 177.069 176.094 -0.006 0.000 1.047 288 V CA -0.092 62.203 62.300 -0.009 0.000 0.937 288 V CB -0.107 31.715 31.823 -0.002 0.000 0.999 288 V HN 0.750 nan 8.190 nan 0.000 0.472 289 I N 2.523 123.088 120.570 -0.009 0.000 3.603 289 I HA 0.514 4.684 4.170 0.000 0.000 0.297 289 I C 0.259 176.378 176.117 0.004 0.000 1.269 289 I CA 0.351 61.651 61.300 -0.000 0.000 1.361 289 I CB 0.358 38.358 38.000 -0.001 0.000 1.063 289 I HN 0.565 nan 8.210 nan 0.000 0.448 290 D N 1.060 121.459 120.400 -0.002 0.000 2.685 290 D HA 0.317 4.958 4.640 0.000 0.000 0.236 290 D C -1.657 174.637 176.300 -0.009 0.000 1.233 290 D CA -0.332 53.665 54.000 -0.005 0.000 0.760 290 D CB 1.732 42.531 40.800 -0.003 0.000 1.410 290 D HN 0.490 nan 8.370 nan 0.000 0.439 291 E N -0.091 120.098 120.200 -0.018 0.000 2.392 291 E HA 0.612 4.962 4.350 0.000 0.000 0.279 291 E C -1.284 175.293 176.600 -0.038 0.000 0.964 291 E CA -1.103 55.286 56.400 -0.017 0.000 0.777 291 E CB 2.209 31.906 29.700 -0.006 0.000 1.249 291 E HN 0.257 nan 8.360 nan 0.000 0.449 292 V N -0.470 119.421 119.914 -0.038 0.000 2.841 292 V HA 0.782 4.903 4.120 0.000 0.000 0.310 292 V C -0.956 175.112 176.094 -0.045 0.000 1.090 292 V CA -0.531 61.732 62.300 -0.062 0.000 0.930 292 V CB 1.549 33.318 31.823 -0.091 0.000 1.014 292 V HN 0.733 nan 8.190 nan 0.000 0.425 293 V N 4.538 124.419 119.914 -0.054 0.000 2.628 293 V HA 0.825 4.945 4.120 0.000 0.000 0.306 293 V C -0.967 175.093 176.094 -0.058 0.000 1.045 293 V CA -0.090 62.188 62.300 -0.037 0.000 0.905 293 V CB 1.884 33.690 31.823 -0.028 0.000 0.997 293 V HN 1.111 nan 8.190 nan 0.000 0.436 294 Q N 4.964 124.735 119.800 -0.048 0.000 2.421 294 Q HA 0.595 4.935 4.340 0.000 0.000 0.280 294 Q C -2.902 173.065 176.000 -0.055 0.000 1.085 294 Q CA -1.766 53.993 55.803 -0.074 0.000 0.807 294 Q CB 2.727 31.409 28.738 -0.093 0.000 1.405 294 Q HN 0.694 nan 8.270 nan 0.000 0.419 295 P HA 0.375 nan 4.420 nan 0.000 0.276 295 P C -0.891 176.376 177.300 -0.056 0.000 1.252 295 P CA -0.574 62.492 63.100 -0.056 0.000 0.802 295 P CB 0.924 32.581 31.700 -0.073 0.000 1.035 296 L N 0.844 122.061 121.223 -0.011 0.000 2.620 296 L HA 0.590 4.930 4.340 0.000 0.000 0.261 296 L C -0.748 176.164 176.870 0.070 0.000 0.978 296 L CA -0.124 54.710 54.840 -0.010 0.000 0.897 296 L CB 1.048 43.099 42.059 -0.013 0.000 1.207 296 L HN 0.509 nan 8.230 nan 0.000 0.425 297 G N 4.048 112.800 108.800 -0.081 0.000 2.415 297 G HA2 0.539 4.499 3.960 0.000 0.000 0.317 297 G HA3 0.539 4.499 3.960 0.000 0.000 0.317 297 G C -0.635 174.249 174.900 -0.027 0.000 1.152 297 G CA -0.253 44.825 45.100 -0.035 0.000 0.956 297 G HN 0.916 nan 8.290 nan 0.000 0.458 298 V N 2.214 122.206 119.914 0.130 0.000 2.498 298 V HA 0.990 5.110 4.120 0.000 0.000 0.279 298 V C -0.284 175.847 176.094 0.061 0.000 1.048 298 V CA -0.707 61.608 62.300 0.024 0.000 0.967 298 V CB 0.754 32.572 31.823 -0.008 0.000 0.988 298 V HN 1.118 nan 8.190 nan 0.000 0.473 299 R N 2.547 123.012 120.500 -0.059 0.000 2.828 299 R HA 0.545 4.885 4.340 0.000 0.000 0.280 299 R C -1.482 174.681 176.300 -0.228 0.000 1.020 299 R CA -0.847 55.197 56.100 -0.092 0.000 0.855 299 R CB 0.861 31.136 30.300 -0.042 0.000 1.278 299 R HN 0.764 nan 8.270 nan 0.000 0.495 300 K N 0.916 121.193 120.400 -0.205 0.000 2.259 300 K HA 0.552 4.872 4.320 0.000 0.000 0.252 300 K C -1.309 175.180 176.600 -0.185 0.000 0.936 300 K CA -0.846 55.330 56.287 -0.186 0.000 0.810 300 K CB 1.127 33.582 32.500 -0.075 0.000 1.143 300 K HN 0.578 nan 8.250 nan 0.000 0.427 301 Y N 1.471 121.759 120.300 -0.021 0.000 2.377 301 Y HA 0.359 4.909 4.550 0.000 0.000 0.339 301 Y C -0.295 175.540 175.900 -0.108 0.000 1.011 301 Y CA -0.835 57.224 58.100 -0.067 0.000 1.093 301 Y CB 1.869 40.365 38.460 0.059 0.000 1.201 301 Y HN 0.582 nan 8.280 nan 0.000 0.455 302 E N 3.806 123.965 120.200 -0.067 0.000 2.311 302 E HA 0.431 4.781 4.350 0.000 0.000 0.281 302 E C -1.836 174.728 176.600 -0.060 0.000 0.905 302 E CA -0.437 55.995 56.400 0.053 0.000 0.778 302 E CB 1.561 31.299 29.700 0.064 0.000 1.240 302 E HN 0.671 nan 8.360 nan 0.000 0.410 303 I N 3.604 124.183 120.570 0.014 0.000 2.353 303 I HA 0.307 4.477 4.170 0.000 0.000 0.293 303 I C -0.451 175.702 176.117 0.060 0.000 0.992 303 I CA -0.892 60.355 61.300 -0.087 0.000 1.268 303 I CB 1.728 39.531 38.000 -0.329 0.000 1.387 303 I HN 0.247 nan 8.210 nan 0.000 0.478 304 V N 6.272 126.272 119.914 0.144 0.000 2.350 304 V HA 0.430 4.550 4.120 0.000 0.000 0.285 304 V C 0.521 176.666 176.094 0.086 0.000 1.014 304 V CA -0.873 61.502 62.300 0.126 0.000 0.831 304 V CB 1.419 33.338 31.823 0.159 0.000 1.000 304 V HN 0.883 nan 8.190 nan 0.000 0.433 305 A N 3.900 126.749 122.820 0.047 0.000 2.587 305 A HA 0.430 4.751 4.320 0.000 0.000 0.235 305 A C 1.687 179.285 177.584 0.023 0.000 1.044 305 A CA 0.950 52.989 52.037 0.005 0.000 0.754 305 A CB -0.432 18.601 19.000 0.056 0.000 0.968 305 A HN 2.278 nan 8.150 nan 0.000 0.509 306 G N 1.373 110.156 108.800 -0.028 0.000 2.196 306 G HA2 -0.379 3.581 3.960 0.000 0.000 0.268 306 G HA3 -0.379 3.581 3.960 0.000 0.000 0.268 306 G C 0.964 175.917 174.900 0.089 0.000 0.975 306 G CA 1.474 46.648 45.100 0.124 0.000 0.648 306 G HN 1.090 nan 8.290 nan 0.000 0.538 307 K N -0.610 119.838 120.400 0.080 0.000 2.313 307 K HA 0.530 4.850 4.320 0.000 0.000 0.215 307 K C 1.213 177.869 176.600 0.093 0.000 1.109 307 K CA 1.356 57.718 56.287 0.124 0.000 0.895 307 K CB 0.473 33.094 32.500 0.201 0.000 1.234 307 K HN 1.164 nan 8.250 nan 0.000 0.463 308 G N -0.057 108.798 108.800 0.092 0.000 2.325 308 G HA2 0.200 4.160 3.960 0.000 0.000 0.295 308 G HA3 0.200 4.160 3.960 0.000 0.000 0.295 308 G C -2.134 172.682 174.900 -0.139 0.000 1.274 308 G CA -0.826 44.203 45.100 -0.120 0.000 0.857 308 G HN 0.116 nan 8.290 nan 0.000 0.499 309 F N 0.609 120.300 119.950 -0.431 0.000 2.427 309 F HA 0.809 5.336 4.527 0.000 0.000 0.346 309 F C -1.127 174.406 175.800 -0.444 0.000 1.120 309 F CA -1.367 56.465 58.000 -0.281 0.000 1.033 309 F CB 1.180 40.046 39.000 -0.224 0.000 1.126 309 F HN 0.235 nan 8.300 nan 0.000 0.462 310 F N 7.267 127.085 119.950 -0.220 0.000 2.427 310 F HA 0.451 4.979 4.527 0.000 0.000 0.348 310 F C -0.803 174.988 175.800 -0.015 0.000 1.125 310 F CA -0.964 57.020 58.000 -0.026 0.000 0.989 310 F CB 1.576 40.549 39.000 -0.044 0.000 1.165 310 F HN 0.283 nan 8.300 nan 0.000 0.442 311 L N 5.621 127.017 121.223 0.289 0.000 2.272 311 L HA 0.478 4.818 4.340 0.000 0.000 0.289 311 L C 0.161 177.116 176.870 0.141 0.000 1.032 311 L CA -0.325 54.640 54.840 0.208 0.000 0.810 311 L CB 0.462 42.556 42.059 0.058 0.000 1.205 311 L HN 0.607 nan 8.230 nan 0.000 0.422 312 N N 4.667 123.414 118.700 0.078 0.000 2.699 312 N HA -0.244 4.496 4.740 0.000 0.000 0.256 312 N C 1.020 176.581 175.510 0.085 0.000 0.993 312 N CA 1.197 54.281 53.050 0.057 0.000 0.759 312 N CB -1.163 37.355 38.487 0.052 0.000 0.906 312 N HN 1.220 nan 8.380 nan 0.000 0.541 313 G N -1.032 107.834 108.800 0.111 0.000 2.284 313 G HA2 -0.327 3.633 3.960 0.000 0.000 0.247 313 G HA3 -0.327 3.633 3.960 0.000 0.000 0.247 313 G C -0.198 174.848 174.900 0.244 0.000 1.012 313 G CA 0.618 45.780 45.100 0.102 0.000 0.618 313 G HN 0.581 nan 8.290 nan 0.000 0.521 314 E N 0.930 121.297 120.200 0.279 0.000 2.216 314 E HA 0.473 4.823 4.350 0.000 0.000 0.279 314 E C 0.058 176.852 176.600 0.324 0.000 0.997 314 E CA -0.830 55.750 56.400 0.300 0.000 0.817 314 E CB 1.801 31.609 29.700 0.181 0.000 1.096 314 E HN 0.336 nan 8.360 nan 0.000 0.393 315 K N 2.297 122.810 120.400 0.188 0.000 2.448 315 K HA 0.005 4.325 4.320 0.000 0.000 0.278 315 K C -1.464 175.089 176.600 -0.079 0.000 1.009 315 K CA 0.241 56.353 56.287 -0.291 0.000 0.995 315 K CB 0.332 32.675 32.500 -0.261 0.000 0.917 315 K HN 0.528 nan 8.250 nan 0.000 0.481 316 Y N 2.234 122.377 120.300 -0.262 0.000 2.361 316 Y HA 0.219 4.769 4.550 0.000 0.000 0.328 316 Y C -0.937 174.758 175.900 -0.342 0.000 1.044 316 Y CA -0.599 57.379 58.100 -0.205 0.000 1.085 316 Y CB 1.709 40.137 38.460 -0.053 0.000 1.194 316 Y HN 0.643 nan 8.280 nan 0.000 0.438 317 S N 6.676 121.880 115.700 -0.827 0.000 2.525 317 S HA 0.186 4.656 4.470 0.000 0.000 0.285 317 S C -0.003 174.060 174.600 -0.894 0.000 1.283 317 S CA 0.072 57.701 58.200 -0.951 0.000 1.072 317 S CB 0.101 62.448 63.200 -1.421 0.000 0.867 317 S HN 0.531 nan 8.310 nan 0.000 0.492 318 M N 4.750 123.934 119.600 -0.695 0.000 2.986 318 M HA 0.217 4.698 4.480 0.000 0.000 0.241 318 M C -1.497 174.476 176.300 -0.545 0.000 1.191 318 M CA -0.292 54.652 55.300 -0.594 0.000 1.143 318 M CB -0.250 32.047 32.600 -0.505 0.000 1.242 318 M HN 0.492 nan 8.290 nan 0.000 0.543 319 Y N 0.404 120.247 120.300 -0.763 0.000 2.504 319 Y HA 0.555 5.105 4.550 0.000 0.000 0.351 319 Y C 1.126 176.353 175.900 -1.122 0.000 0.988 319 Y CA -0.999 56.342 58.100 -1.265 0.000 1.239 319 Y CB 0.210 37.178 38.460 -2.486 0.000 1.128 319 Y HN 0.495 nan 8.280 nan 0.000 0.525 320 G N 1.797 110.211 108.800 -0.644 0.000 2.432 320 G HA2 0.667 4.627 3.960 0.000 0.000 0.331 320 G HA3 0.667 4.627 3.960 0.000 0.000 0.331 320 G C -0.855 173.884 174.900 -0.268 0.000 1.170 320 G CA -0.753 43.976 45.100 -0.618 0.000 0.943 320 G HN 0.594 nan 8.290 nan 0.000 0.483 321 V N -1.263 118.556 119.914 -0.158 0.000 3.158 321 V HA 0.988 5.109 4.120 0.000 0.000 0.311 321 V C 0.023 176.037 176.094 -0.133 0.000 1.181 321 V CA -0.268 61.947 62.300 -0.141 0.000 1.054 321 V CB 1.509 33.204 31.823 -0.214 0.000 1.085 321 V HN 1.218 nan 8.190 nan 0.000 0.446 322 T N -0.601 113.797 114.554 -0.260 0.000 2.887 322 T HA 0.839 5.189 4.350 0.000 0.000 0.292 322 T C -0.734 173.704 174.700 -0.437 0.000 1.087 322 T CA -0.814 61.041 62.100 -0.408 0.000 1.009 322 T CB 2.218 70.844 68.868 -0.403 0.000 1.203 322 T HN 1.165 nan 8.240 nan 0.000 0.518 323 R N 0.975 121.212 120.500 -0.439 0.000 2.523 323 R HA 0.242 4.582 4.340 0.000 0.000 0.278 323 R C -1.714 174.502 176.300 -0.139 0.000 1.150 323 R CA -0.385 55.644 56.100 -0.118 0.000 0.987 323 R CB 1.210 31.603 30.300 0.155 0.000 1.232 323 R HN 0.927 nan 8.270 nan 0.000 0.424 324 H N 2.633 121.652 119.070 -0.085 0.000 2.488 324 H HA 0.144 4.700 4.556 0.000 0.000 0.347 324 H C 0.238 175.719 175.328 0.254 0.000 1.174 324 H CA -0.051 55.981 56.048 -0.026 0.000 1.307 324 H CB 1.739 31.358 29.762 -0.237 0.000 1.517 324 H HN 0.491 nan 8.280 nan 0.000 0.554 325 Q N 0.918 121.041 119.800 0.539 0.000 2.297 325 Q HA 0.107 4.448 4.340 0.000 0.000 0.265 325 Q C -0.971 175.260 176.000 0.385 0.000 0.904 325 Q CA -0.524 55.558 55.803 0.466 0.000 0.969 325 Q CB -0.227 28.799 28.738 0.480 0.000 1.115 325 Q HN 0.394 nan 8.270 nan 0.000 0.433 326 D N -0.614 120.055 120.400 0.449 0.000 2.619 326 D HA 0.333 4.973 4.640 0.000 0.000 0.241 326 D C -1.388 175.284 176.300 0.621 0.000 1.087 326 D CA -0.522 53.728 54.000 0.415 0.000 0.851 326 D CB 0.631 41.717 40.800 0.476 0.000 1.474 326 D HN 0.104 nan 8.370 nan 0.000 0.478 327 W N 1.009 122.270 121.300 -0.064 0.000 2.706 327 W HA 0.372 5.032 4.660 0.000 0.000 0.346 327 W C 0.059 176.166 176.519 -0.687 0.000 1.071 327 W CA -1.245 55.919 57.345 -0.302 0.000 1.206 327 W CB 0.974 30.183 29.460 -0.418 0.000 1.413 327 W HN 0.330 nan 8.180 nan 0.000 0.542 328 W N 3.616 124.149 121.300 -1.279 0.000 2.347 328 W HA 0.297 4.957 4.660 0.000 0.000 0.333 328 W C 0.925 177.193 176.519 -0.418 0.000 1.383 328 W CA 1.900 58.571 57.345 -1.124 0.000 1.283 328 W CB 0.381 29.298 29.460 -0.906 0.000 1.253 328 W HN 0.815 nan 8.180 nan 0.000 0.563 329 G N 4.010 112.197 108.800 -1.021 0.000 2.299 329 G HA2 -0.343 3.617 3.960 0.000 0.000 0.237 329 G HA3 -0.343 3.617 3.960 0.000 0.000 0.237 329 G C 0.615 175.247 174.900 -0.446 0.000 1.027 329 G CA 0.545 45.169 45.100 -0.794 0.000 0.619 329 G HN 0.580 nan 8.290 nan 0.000 0.513 330 L N 0.983 121.976 121.223 -0.383 0.000 2.664 330 L HA 0.462 4.802 4.340 0.000 0.000 0.233 330 L C 2.199 178.823 176.870 -0.410 0.000 1.113 330 L CA 0.438 55.065 54.840 -0.356 0.000 0.896 330 L CB -0.269 41.544 42.059 -0.410 0.000 1.163 330 L HN 0.933 nan 8.230 nan 0.000 0.497 331 G N 1.796 110.333 108.800 -0.438 0.000 2.634 331 G HA2 -0.434 3.526 3.960 0.000 0.000 0.309 331 G HA3 -0.434 3.526 3.960 0.000 0.000 0.309 331 G C 0.804 175.250 174.900 -0.758 0.000 1.265 331 G CA 0.775 45.395 45.100 -0.800 0.000 0.998 331 G HN 0.452 nan 8.290 nan 0.000 0.551 332 S N -0.143 114.963 115.700 -0.989 0.000 2.557 332 S HA 0.600 5.070 4.470 0.000 0.000 0.223 332 S C 1.283 175.771 174.600 -0.186 0.000 0.969 332 S CA 1.157 59.082 58.200 -0.460 0.000 0.927 332 S CB 0.713 63.648 63.200 -0.442 0.000 0.806 332 S HN 2.033 nan 8.310 nan 0.000 0.489 333 A N 2.498 125.158 122.820 -0.267 0.000 3.052 333 A HA 0.501 4.821 4.320 0.000 0.000 0.266 333 A C 0.332 177.776 177.584 -0.235 0.000 1.855 333 A CA -0.342 51.592 52.037 -0.172 0.000 1.473 333 A CB -0.850 18.031 19.000 -0.198 0.000 1.038 333 A HN 0.627 nan 8.150 nan 0.000 0.619 334 L N 0.172 121.258 121.223 -0.228 0.000 2.439 334 L HA 0.438 4.778 4.340 0.000 0.000 0.259 334 L C 0.510 177.249 176.870 -0.219 0.000 1.129 334 L CA -0.554 54.077 54.840 -0.349 0.000 0.803 334 L CB 0.966 42.715 42.059 -0.517 0.000 1.161 334 L HN 0.426 nan 8.230 nan 0.000 0.462 335 K N 0.116 120.454 120.400 -0.103 0.000 2.258 335 K HA 0.334 4.654 4.320 0.000 0.000 0.236 335 K C 0.511 176.848 176.600 -0.438 0.000 1.008 335 K CA -0.655 55.476 56.287 -0.260 0.000 0.869 335 K CB 1.332 33.669 32.500 -0.271 0.000 1.171 335 K HN 0.413 nan 8.250 nan 0.000 0.447 336 N N 1.286 119.755 118.700 -0.385 0.000 2.205 336 N HA -0.205 4.535 4.740 0.000 0.000 0.186 336 N C 0.941 176.301 175.510 -0.250 0.000 1.015 336 N CA 0.951 53.758 53.050 -0.406 0.000 0.862 336 N CB 0.080 38.105 38.487 -0.769 0.000 0.986 336 N HN 0.503 nan 8.380 nan 0.000 0.429 337 E N 1.233 121.224 120.200 -0.349 0.000 2.108 337 E HA -0.264 4.086 4.350 0.000 0.000 0.203 337 E C 1.495 177.886 176.600 -0.349 0.000 1.022 337 E CA 1.701 57.896 56.400 -0.341 0.000 0.823 337 E CB -0.981 28.418 29.700 -0.500 0.000 0.744 337 E HN 0.680 nan 8.360 nan 0.000 0.456 338 H N 0.219 119.028 119.070 -0.435 0.000 2.299 338 H HA -0.017 4.539 4.556 0.000 0.000 0.302 338 H C 2.301 177.574 175.328 -0.091 0.000 1.078 338 H CA 1.482 57.151 56.048 -0.631 0.000 1.323 338 H CB -0.265 28.683 29.762 -1.358 0.000 1.381 338 H HN 0.252 nan 8.280 nan 0.000 0.498 339 H N 0.951 120.101 119.070 0.133 0.000 2.319 339 H HA -0.149 4.407 4.556 0.000 0.000 0.297 339 H C 1.637 177.157 175.328 0.320 0.000 1.097 339 H CA 1.553 57.754 56.048 0.253 0.000 1.285 339 H CB -0.408 29.524 29.762 0.283 0.000 1.368 339 H HN 0.478 nan 8.280 nan 0.000 0.495 340 D N 0.014 120.663 120.400 0.415 0.000 2.144 340 D HA -0.137 4.503 4.640 0.000 0.000 0.199 340 D C 2.190 178.687 176.300 0.327 0.000 0.984 340 D CA 0.564 54.767 54.000 0.338 0.000 0.834 340 D CB -0.592 40.370 40.800 0.271 0.000 0.955 340 D HN 0.237 nan 8.370 nan 0.000 0.465 341 F N 2.010 122.101 119.950 0.234 0.000 2.075 341 F HA -0.208 4.320 4.527 0.000 0.000 0.297 341 F C 1.916 177.935 175.800 0.365 0.000 1.113 341 F CA 1.482 59.656 58.000 0.291 0.000 1.218 341 F CB 0.031 39.259 39.000 0.380 0.000 0.984 341 F HN -0.211 nan 8.300 nan 0.000 0.472 342 D N 0.664 121.485 120.400 0.700 0.000 2.104 342 D HA -0.213 4.427 4.640 0.000 0.000 0.194 342 D C 2.468 179.063 176.300 0.491 0.000 0.994 342 D CA 1.630 56.028 54.000 0.664 0.000 0.830 342 D CB -0.688 40.446 40.800 0.558 0.000 0.959 342 D HN 0.326 nan 8.370 nan 0.000 0.452 343 L N 0.617 122.075 121.223 0.392 0.000 2.012 343 L HA -0.201 4.139 4.340 0.000 0.000 0.210 343 L C 2.571 179.545 176.870 0.173 0.000 1.073 343 L CA 1.252 56.262 54.840 0.284 0.000 0.748 343 L CB -0.550 41.664 42.059 0.259 0.000 0.891 343 L HN 0.002 nan 8.230 nan 0.000 0.431 344 A N 0.117 123.005 122.820 0.114 0.000 1.917 344 A HA -0.245 4.075 4.320 0.000 0.000 0.219 344 A C 2.530 180.116 177.584 0.003 0.000 1.182 344 A CA 2.036 54.083 52.037 0.016 0.000 0.633 344 A CB -0.757 18.194 19.000 -0.082 0.000 0.819 344 A HN 0.442 nan 8.150 nan 0.000 0.448 345 A N -0.247 122.581 122.820 0.013 0.000 1.902 345 A HA -0.078 4.242 4.320 0.000 0.000 0.217 345 A C 2.101 179.736 177.584 0.085 0.000 1.181 345 A CA 1.557 53.637 52.037 0.071 0.000 0.623 345 A CB -0.619 18.485 19.000 0.174 0.000 0.818 345 A HN 0.512 nan 8.150 nan 0.000 0.443 346 I N -0.719 119.907 120.570 0.093 0.000 2.361 346 I HA -0.258 3.912 4.170 0.000 0.000 0.251 346 I C 2.594 178.712 176.117 0.002 0.000 1.133 346 I CA 0.937 62.249 61.300 0.021 0.000 1.413 346 I CB -0.268 37.761 38.000 0.047 0.000 1.073 346 I HN 0.264 nan 8.210 nan 0.000 0.424 347 M N -0.088 119.530 119.600 0.031 0.000 2.099 347 M HA -0.219 4.262 4.480 0.000 0.000 0.262 347 M C 2.004 178.300 176.300 -0.006 0.000 1.067 347 M CA 1.809 57.116 55.300 0.012 0.000 1.124 347 M CB -1.205 31.412 32.600 0.028 0.000 1.353 347 M HN 0.199 nan 8.290 nan 0.000 0.410 348 D N -0.035 120.368 120.400 0.005 0.000 2.117 348 D HA -0.124 4.516 4.640 0.000 0.000 0.197 348 D C 1.890 178.146 176.300 -0.073 0.000 0.987 348 D CA 0.797 54.801 54.000 0.008 0.000 0.829 348 D CB 0.218 41.059 40.800 0.068 0.000 0.961 348 D HN 0.059 nan 8.370 nan 0.000 0.460 349 V N -0.652 119.160 119.914 -0.171 0.000 3.078 349 V HA 0.098 4.218 4.120 0.000 0.000 0.265 349 V C 1.433 177.423 176.094 -0.174 0.000 1.122 349 V CA 1.427 63.453 62.300 -0.456 0.000 1.141 349 V CB -0.378 31.023 31.823 -0.705 0.000 0.735 349 V HN 0.590 nan 8.190 nan 0.000 0.498 350 G N -0.636 108.136 108.800 -0.046 0.000 2.130 350 G HA2 -0.121 3.839 3.960 0.000 0.000 0.216 350 G HA3 -0.121 3.839 3.960 0.000 0.000 0.216 350 G C 0.227 175.135 174.900 0.014 0.000 0.999 350 G CA 0.217 45.339 45.100 0.036 0.000 0.686 350 G HN 1.302 nan 8.290 nan 0.000 0.515 351 A N -0.126 122.665 122.820 -0.048 0.000 2.466 351 A HA 0.686 5.006 4.320 0.000 0.000 0.238 351 A C 1.534 178.956 177.584 -0.268 0.000 1.074 351 A CA 1.527 53.401 52.037 -0.271 0.000 0.774 351 A CB 0.350 19.244 19.000 -0.178 0.000 1.015 351 A HN 1.578 nan 8.150 nan 0.000 0.498 352 T N -2.215 112.113 114.554 -0.376 0.000 3.003 352 T HA 0.379 4.729 4.350 0.000 0.000 0.261 352 T C 0.418 175.007 174.700 -0.186 0.000 1.003 352 T CA 0.640 62.587 62.100 -0.255 0.000 0.917 352 T CB -0.019 68.630 68.868 -0.365 0.000 1.084 352 T HN 1.009 nan 8.240 nan 0.000 0.522 353 T N 0.838 115.245 114.554 -0.246 0.000 2.932 353 T HA 0.611 4.961 4.350 0.000 0.000 0.318 353 T C -2.145 172.517 174.700 -0.063 0.000 1.265 353 T CA -0.447 61.566 62.100 -0.145 0.000 1.036 353 T CB 1.995 70.709 68.868 -0.258 0.000 1.209 353 T HN 0.079 nan 8.240 nan 0.000 0.484 354 V N 4.167 124.118 119.914 0.062 0.000 2.686 354 V HA 0.620 4.740 4.120 0.000 0.000 0.306 354 V C -0.170 175.809 176.094 -0.192 0.000 1.065 354 V CA -1.070 61.139 62.300 -0.152 0.000 0.894 354 V CB 1.873 33.367 31.823 -0.549 0.000 1.004 354 V HN 0.892 nan 8.190 nan 0.000 0.424 355 R N 3.806 124.038 120.500 -0.447 0.000 2.280 355 R HA 0.423 4.763 4.340 0.000 0.000 0.326 355 R C -1.229 174.636 176.300 -0.725 0.000 1.080 355 R CA -0.494 55.044 56.100 -0.938 0.000 1.002 355 R CB 0.233 29.508 30.300 -1.708 0.000 1.136 355 R HN 0.601 nan 8.270 nan 0.000 0.509 356 F N 3.952 123.731 119.950 -0.284 0.000 2.613 356 F HA 0.194 4.721 4.527 0.000 0.000 0.341 356 F C 0.952 176.487 175.800 -0.442 0.000 1.288 356 F CA -0.025 57.827 58.000 -0.246 0.000 1.103 356 F CB 0.490 39.506 39.000 0.026 0.000 1.423 356 F HN 0.532 nan 8.300 nan 0.000 0.651 357 A N 2.496 124.963 122.820 -0.590 0.000 2.279 357 A HA 0.419 4.740 4.320 0.000 0.000 0.303 357 A C 0.221 176.962 177.584 -1.404 0.000 1.108 357 A CA -0.553 50.986 52.037 -0.830 0.000 0.830 357 A CB 0.473 18.897 19.000 -0.959 0.000 1.106 357 A HN 0.659 nan 8.150 nan 0.000 0.493 358 H N 0.390 118.683 119.070 -1.294 0.000 2.472 358 H HA 0.311 4.868 4.556 0.000 0.000 0.287 358 H C -1.532 173.581 175.328 -0.358 0.000 1.112 358 H CA 0.371 56.130 56.048 -0.482 0.000 1.021 358 H CB -0.201 29.541 29.762 -0.034 0.000 1.635 358 H HN 0.622 nan 8.280 nan 0.000 0.559 359 Y N -2.479 117.754 120.300 -0.112 0.000 2.641 359 Y HA 0.231 4.781 4.550 0.000 0.000 0.333 359 Y C -0.231 175.672 175.900 0.005 0.000 1.174 359 Y CA -1.457 56.508 58.100 -0.226 0.000 1.057 359 Y CB 0.523 38.324 38.460 -1.099 0.000 1.322 359 Y HN -0.107 nan 8.280 nan 0.000 0.457 360 Q N 1.816 121.846 119.800 0.382 0.000 2.333 360 Q HA 0.160 4.500 4.340 0.000 0.000 0.299 360 Q C -0.828 175.443 176.000 0.452 0.000 1.067 360 Q CA 0.489 56.559 55.803 0.444 0.000 0.943 360 Q CB 0.674 29.671 28.738 0.432 0.000 1.233 360 Q HN 0.776 nan 8.270 nan 0.000 0.401 361 Q N 1.345 121.258 119.800 0.188 0.000 2.572 361 Q HA 0.340 4.680 4.340 0.000 0.000 0.284 361 Q C -0.780 174.925 176.000 -0.492 0.000 1.091 361 Q CA -0.871 54.866 55.803 -0.111 0.000 0.840 361 Q CB 1.684 30.240 28.738 -0.303 0.000 1.433 361 Q HN 0.726 nan 8.270 nan 0.000 0.471 362 S N 0.245 115.658 115.700 -0.478 0.000 2.558 362 S HA -0.118 4.352 4.470 0.000 0.000 0.293 362 S C 0.542 174.816 174.600 -0.543 0.000 1.292 362 S CA 0.295 58.246 58.200 -0.416 0.000 1.063 362 S CB 0.229 63.120 63.200 -0.515 0.000 0.831 362 S HN 0.707 nan 8.310 nan 0.000 0.499 363 D N 2.951 123.236 120.400 -0.193 0.000 2.224 363 D HA -0.135 4.505 4.640 0.000 0.000 0.205 363 D C 1.488 177.772 176.300 -0.027 0.000 0.965 363 D CA 1.346 55.327 54.000 -0.032 0.000 0.852 363 D CB -0.200 40.688 40.800 0.145 0.000 0.947 363 D HN 0.801 nan 8.370 nan 0.000 0.494 364 Y N 0.324 120.550 120.300 -0.123 0.000 2.181 364 Y HA -0.152 4.398 4.550 0.000 0.000 0.288 364 Y C 1.898 177.709 175.900 -0.149 0.000 1.146 364 Y CA 1.362 59.416 58.100 -0.076 0.000 1.164 364 Y CB -0.434 38.019 38.460 -0.012 0.000 0.982 364 Y HN 0.100 nan 8.280 nan 0.000 0.515 365 L N -0.622 120.420 121.223 -0.301 0.000 1.994 365 L HA -0.247 4.094 4.340 0.000 0.000 0.208 365 L C 2.078 178.753 176.870 -0.325 0.000 1.071 365 L CA 1.885 56.486 54.840 -0.398 0.000 0.745 365 L CB -1.225 40.428 42.059 -0.676 0.000 0.892 365 L HN 0.241 nan 8.230 nan 0.000 0.431 366 Y N -0.170 119.880 120.300 -0.417 0.000 2.193 366 Y HA -0.236 4.314 4.550 0.000 0.000 0.285 366 Y C 3.076 178.696 175.900 -0.467 0.000 1.166 366 Y CA 1.243 59.037 58.100 -0.511 0.000 1.181 366 Y CB -1.474 36.512 38.460 -0.789 0.000 0.976 366 Y HN 0.527 nan 8.280 nan 0.000 0.520 367 S N -0.286 115.307 115.700 -0.178 0.000 2.470 367 S HA -0.044 4.426 4.470 0.000 0.000 0.225 367 S C 1.979 176.542 174.600 -0.062 0.000 1.006 367 S CA 0.103 58.315 58.200 0.020 0.000 0.934 367 S CB -0.019 63.302 63.200 0.203 0.000 0.778 367 S HN 0.250 nan 8.310 nan 0.000 0.517 368 R N 0.559 120.931 120.500 -0.213 0.000 2.115 368 R HA 0.079 4.420 4.340 0.000 0.000 0.230 368 R C 2.379 178.689 176.300 0.016 0.000 1.111 368 R CA 1.138 57.140 56.100 -0.163 0.000 0.976 368 R CB -1.533 28.594 30.300 -0.288 0.000 0.870 368 R HN 0.487 nan 8.270 nan 0.000 0.445 369 C N 1.171 120.509 119.300 0.063 0.000 2.413 369 C HA -0.109 4.351 4.460 0.000 0.000 0.276 369 C C 2.185 177.323 174.990 0.247 0.000 1.248 369 C CA 0.686 59.811 59.018 0.179 0.000 1.742 369 C CB -0.743 27.132 27.740 0.226 0.000 2.017 369 C HN 0.463 nan 8.230 nan 0.000 0.481 370 D N 0.300 120.811 120.400 0.185 0.000 2.106 370 D HA -0.132 4.508 4.640 0.000 0.000 0.191 370 D C 2.169 178.693 176.300 0.373 0.000 0.997 370 D CA 1.892 56.025 54.000 0.222 0.000 0.834 370 D CB -0.845 40.016 40.800 0.101 0.000 0.956 370 D HN 0.408 nan 8.370 nan 0.000 0.448 371 T N 1.056 115.728 114.554 0.196 0.000 2.720 371 T HA -0.104 4.247 4.350 0.000 0.000 0.268 371 T C 2.139 176.924 174.700 0.142 0.000 1.037 371 T CA 0.696 62.882 62.100 0.143 0.000 1.144 371 T CB -0.227 68.672 68.868 0.052 0.000 0.864 371 T HN 0.120 nan 8.240 nan 0.000 0.444 372 L N -0.339 120.971 121.223 0.145 0.000 2.341 372 L HA 0.210 4.550 4.340 0.000 0.000 0.214 372 L C 2.150 179.062 176.870 0.071 0.000 1.115 372 L CA 0.741 55.639 54.840 0.096 0.000 0.820 372 L CB -0.247 41.870 42.059 0.096 0.000 0.944 372 L HN 0.542 nan 8.230 nan 0.000 0.452 373 G N -0.568 108.338 108.800 0.177 0.000 2.176 373 G HA2 -0.220 3.740 3.960 0.000 0.000 0.232 373 G HA3 -0.220 3.740 3.960 0.000 0.000 0.232 373 G C 0.034 174.980 174.900 0.078 0.000 0.986 373 G CA -0.519 44.538 45.100 -0.072 0.000 0.643 373 G HN 0.035 nan 8.290 nan 0.000 0.522 374 L N 1.172 122.524 121.223 0.214 0.000 2.525 374 L HA 0.398 4.738 4.340 0.000 0.000 0.278 374 L C 1.012 178.077 176.870 0.325 0.000 1.218 374 L CA 0.145 55.103 54.840 0.198 0.000 0.878 374 L CB 0.533 42.703 42.059 0.186 0.000 1.127 374 L HN 0.239 nan 8.230 nan 0.000 0.492 375 I N 5.528 126.211 120.570 0.188 0.000 2.321 375 I HA 0.384 4.554 4.170 0.000 0.000 0.291 375 I C 0.273 176.485 176.117 0.158 0.000 0.998 375 I CA -0.317 61.082 61.300 0.166 0.000 1.227 375 I CB 0.933 38.862 38.000 -0.119 0.000 1.368 375 I HN 0.541 nan 8.210 nan 0.000 0.466 376 I N 3.617 124.335 120.570 0.247 0.000 3.108 376 I HA 0.641 4.811 4.170 0.000 0.000 0.312 376 I C -1.795 174.468 176.117 0.243 0.000 1.095 376 I CA -0.636 60.830 61.300 0.277 0.000 1.000 376 I CB 2.753 40.942 38.000 0.315 0.000 1.229 376 I HN 0.675 nan 8.210 nan 0.000 0.454 377 W N 3.909 125.166 121.300 -0.070 0.000 2.715 377 W HA 0.826 5.486 4.660 0.000 0.000 0.331 377 W C -1.679 174.747 176.519 -0.156 0.000 1.031 377 W CA -1.669 55.492 57.345 -0.306 0.000 1.237 377 W CB 1.216 30.450 29.460 -0.376 0.000 1.378 377 W HN 0.814 nan 8.180 nan 0.000 0.454 378 A N 4.320 127.242 122.820 0.170 0.000 2.325 378 A HA 0.763 5.084 4.320 0.000 0.000 0.333 378 A C -1.137 176.655 177.584 0.346 0.000 1.155 378 A CA -0.552 51.680 52.037 0.325 0.000 0.814 378 A CB 1.682 20.802 19.000 0.199 0.000 1.206 378 A HN 0.682 nan 8.150 nan 0.000 0.482 379 E N 0.607 121.029 120.200 0.370 0.000 2.383 379 E HA 0.592 4.942 4.350 0.000 0.000 0.275 379 E C -1.269 175.478 176.600 0.244 0.000 0.918 379 E CA -0.654 55.934 56.400 0.313 0.000 0.764 379 E CB 1.816 31.754 29.700 0.396 0.000 1.252 379 E HN 0.710 nan 8.360 nan 0.000 0.449 380 I N -0.123 120.576 120.570 0.215 0.000 2.525 380 I HA 0.549 4.719 4.170 0.000 0.000 0.301 380 I C -2.197 174.052 176.117 0.219 0.000 0.992 380 I CA -2.547 58.876 61.300 0.205 0.000 1.162 380 I CB 1.807 39.907 38.000 0.167 0.000 1.332 380 I HN 0.295 nan 8.210 nan 0.000 0.458 381 P HA 0.064 nan 4.420 nan 0.000 0.226 381 P C -0.116 177.328 177.300 0.240 0.000 1.758 381 P CA -0.095 63.187 63.100 0.305 0.000 0.896 381 P CB -0.536 31.396 31.700 0.386 0.000 1.784 382 C N 2.458 121.871 119.300 0.190 0.000 2.252 382 C HA 0.505 4.965 4.460 0.000 0.000 0.342 382 C C 0.365 175.408 174.990 0.087 0.000 1.110 382 C CA -0.261 58.842 59.018 0.141 0.000 1.581 382 C CB -1.907 25.923 27.740 0.150 0.000 2.087 382 C HN 0.367 nan 8.230 nan 0.000 0.500 383 V N 4.646 124.578 119.914 0.030 0.000 3.147 383 V HA 0.632 4.752 4.120 0.000 0.000 0.306 383 V C 0.413 176.453 176.094 -0.091 0.000 1.209 383 V CA 0.020 62.283 62.300 -0.061 0.000 1.023 383 V CB 1.421 33.185 31.823 -0.098 0.000 1.059 383 V HN 0.901 nan 8.190 nan 0.000 0.435 384 N N 0.470 119.085 118.700 -0.142 0.000 1.904 384 N HA -0.197 4.543 4.740 0.000 0.000 0.217 384 N C 0.118 175.586 175.510 -0.070 0.000 1.020 384 N CA 2.173 55.165 53.050 -0.096 0.000 3.606 384 N CB -0.383 38.072 38.487 -0.055 0.000 0.733 384 N HN 0.881 nan 8.380 nan 0.000 0.351 385 R N 0.256 120.722 120.500 -0.056 0.000 2.680 385 R HA 0.517 4.858 4.340 0.000 0.000 0.269 385 R C -0.629 175.661 176.300 -0.016 0.000 1.026 385 R CA -0.288 55.799 56.100 -0.022 0.000 0.889 385 R CB 1.906 32.212 30.300 0.009 0.000 1.241 385 R HN 0.132 nan 8.270 nan 0.000 0.463 386 V N -1.869 118.042 119.914 -0.006 0.000 2.919 386 V HA 0.706 4.826 4.120 0.000 0.000 0.316 386 V C 0.826 176.872 176.094 -0.079 0.000 1.077 386 V CA -0.277 62.028 62.300 0.008 0.000 0.977 386 V CB 1.817 33.698 31.823 0.096 0.000 1.039 386 V HN 0.990 nan 8.190 nan 0.000 0.441 387 T N -2.507 111.960 114.554 -0.145 0.000 2.987 387 T HA 0.478 4.828 4.350 0.000 0.000 0.248 387 T C 1.431 175.784 174.700 -0.579 0.000 0.997 387 T CA 1.009 62.998 62.100 -0.184 0.000 1.013 387 T CB 0.505 69.401 68.868 0.046 0.000 1.077 387 T HN 2.426 nan 8.240 nan 0.000 0.483 388 G N 0.748 109.025 108.800 -0.871 0.000 2.148 388 G HA2 -0.181 3.780 3.960 0.000 0.000 0.203 388 G HA3 -0.181 3.780 3.960 0.000 0.000 0.203 388 G C 0.099 174.426 174.900 -0.956 0.000 0.993 388 G CA 0.129 44.306 45.100 -1.539 0.000 0.661 388 G HN 0.554 nan 8.290 nan 0.000 0.518 389 Y N -0.049 120.191 120.300 -0.101 0.000 2.717 389 Y HA 0.294 4.844 4.550 0.000 0.000 0.250 389 Y C 1.635 177.574 175.900 0.065 0.000 1.149 389 Y CA -0.019 58.087 58.100 0.010 0.000 1.211 389 Y CB 0.537 38.987 38.460 -0.016 0.000 1.289 389 Y HN 0.393 nan 8.280 nan 0.000 0.552 390 E N -1.373 118.948 120.200 0.201 0.000 2.498 390 E HA 0.079 4.429 4.350 0.000 0.000 0.203 390 E C 0.815 177.514 176.600 0.166 0.000 1.013 390 E CA 0.481 56.986 56.400 0.174 0.000 0.927 390 E CB -0.231 29.560 29.700 0.152 0.000 1.012 390 E HN 0.164 nan 8.360 nan 0.000 0.482 391 T N 2.456 117.130 114.554 0.200 0.000 2.597 391 T HA -0.226 4.124 4.350 0.000 0.000 0.267 391 T C 1.546 176.294 174.700 0.081 0.000 1.053 391 T CA 2.320 64.494 62.100 0.124 0.000 1.165 391 T CB -0.170 68.757 68.868 0.099 0.000 0.863 391 T HN 0.368 nan 8.240 nan 0.000 0.427 392 E N 0.726 120.974 120.200 0.080 0.000 2.077 392 E HA -0.129 4.221 4.350 0.000 0.000 0.193 392 E C 2.393 179.019 176.600 0.044 0.000 0.989 392 E CA 0.758 57.190 56.400 0.052 0.000 0.800 392 E CB -0.203 29.526 29.700 0.049 0.000 0.746 392 E HN 0.433 nan 8.360 nan 0.000 0.452 393 N N 0.741 119.474 118.700 0.056 0.000 2.120 393 N HA -0.168 4.572 4.740 0.000 0.000 0.188 393 N C 1.921 177.465 175.510 0.058 0.000 1.024 393 N CA 1.246 54.322 53.050 0.044 0.000 0.852 393 N CB -0.012 38.506 38.487 0.051 0.000 1.003 393 N HN 0.110 nan 8.380 nan 0.000 0.424 394 A N 0.899 123.765 122.820 0.076 0.000 1.940 394 A HA -0.198 4.122 4.320 0.000 0.000 0.219 394 A C 2.141 179.759 177.584 0.057 0.000 1.176 394 A CA 1.422 53.509 52.037 0.082 0.000 0.631 394 A CB -0.560 18.493 19.000 0.089 0.000 0.814 394 A HN 0.504 nan 8.150 nan 0.000 0.446 395 Q N -1.303 118.520 119.800 0.038 0.000 2.137 395 Q HA -0.064 4.276 4.340 0.000 0.000 0.198 395 Q C 2.441 178.446 176.000 0.009 0.000 0.960 395 Q CA 1.238 57.050 55.803 0.015 0.000 0.847 395 Q CB -0.161 28.582 28.738 0.007 0.000 0.915 395 Q HN 0.642 nan 8.270 nan 0.000 0.448 396 S N 0.551 116.262 115.700 0.019 0.000 2.368 396 S HA -0.212 4.258 4.470 0.000 0.000 0.225 396 S C 1.883 176.509 174.600 0.044 0.000 1.030 396 S CA 1.338 59.551 58.200 0.020 0.000 0.999 396 S CB -0.010 63.195 63.200 0.007 0.000 0.844 396 S HN 0.335 nan 8.310 nan 0.000 0.459 397 Q N -0.192 119.646 119.800 0.062 0.000 2.119 397 Q HA -0.078 4.263 4.340 0.000 0.000 0.201 397 Q C 2.182 178.227 176.000 0.076 0.000 0.972 397 Q CA 1.278 57.146 55.803 0.109 0.000 0.847 397 Q CB -0.280 28.550 28.738 0.152 0.000 0.903 397 Q HN 0.445 nan 8.270 nan 0.000 0.433 398 L N 1.065 122.305 121.223 0.027 0.000 2.017 398 L HA -0.175 4.165 4.340 0.000 0.000 0.208 398 L C 2.360 179.155 176.870 -0.124 0.000 1.073 398 L CA 1.791 56.601 54.840 -0.050 0.000 0.745 398 L CB -0.492 41.532 42.059 -0.059 0.000 0.894 398 L HN 0.048 nan 8.230 nan 0.000 0.432 399 R N -0.470 119.983 120.500 -0.080 0.000 2.091 399 R HA -0.188 4.152 4.340 0.000 0.000 0.238 399 R C 2.134 178.402 176.300 -0.054 0.000 1.136 399 R CA 1.917 57.961 56.100 -0.093 0.000 0.959 399 R CB -0.176 30.090 30.300 -0.058 0.000 0.856 399 R HN 0.551 nan 8.270 nan 0.000 0.437 400 E N 0.381 120.594 120.200 0.022 0.000 2.077 400 E HA -0.222 4.128 4.350 0.000 0.000 0.193 400 E C 2.012 178.659 176.600 0.077 0.000 0.989 400 E CA 1.244 57.697 56.400 0.088 0.000 0.800 400 E CB -0.208 29.599 29.700 0.178 0.000 0.746 400 E HN 0.217 nan 8.360 nan 0.000 0.452 401 L N 1.424 122.675 121.223 0.047 0.000 1.989 401 L HA -0.206 4.134 4.340 0.000 0.000 0.211 401 L C 2.083 178.863 176.870 -0.151 0.000 1.071 401 L CA 1.743 56.605 54.840 0.038 0.000 0.749 401 L CB -0.404 41.680 42.059 0.041 0.000 0.890 401 L HN 0.106 nan 8.230 nan 0.000 0.431 402 I N -0.737 119.553 120.570 -0.468 0.000 2.127 402 I HA -0.312 3.858 4.170 0.000 0.000 0.241 402 I C 2.780 178.870 176.117 -0.045 0.000 1.075 402 I CA 1.627 62.497 61.300 -0.716 0.000 1.334 402 I CB -0.472 37.076 38.000 -0.754 0.000 1.040 402 I HN 0.289 nan 8.210 nan 0.000 0.405 403 R N 0.453 120.967 120.500 0.023 0.000 2.073 403 R HA -0.206 4.134 4.340 0.000 0.000 0.234 403 R C 2.365 178.824 176.300 0.266 0.000 1.134 403 R CA 1.584 57.800 56.100 0.194 0.000 0.952 403 R CB -0.252 30.117 30.300 0.116 0.000 0.850 403 R HN 0.423 nan 8.270 nan 0.000 0.433 404 Q N -0.719 119.193 119.800 0.186 0.000 2.224 404 Q HA -0.035 4.305 4.340 0.000 0.000 0.203 404 Q C 0.989 177.147 176.000 0.263 0.000 0.970 404 Q CA 1.402 57.320 55.803 0.191 0.000 0.865 404 Q CB 0.421 29.272 28.738 0.189 0.000 0.922 404 Q HN 0.163 nan 8.270 nan 0.000 0.445 405 S N -0.738 115.163 115.700 0.336 0.000 2.593 405 S HA 0.116 4.587 4.470 0.000 0.000 0.236 405 S C 0.669 175.567 174.600 0.498 0.000 0.991 405 S CA -0.541 57.958 58.200 0.499 0.000 0.963 405 S CB 0.111 63.617 63.200 0.510 0.000 0.865 405 S HN 0.312 nan 8.310 nan 0.000 0.488 406 F N 3.729 123.831 119.950 0.253 0.000 2.126 406 F HA -0.109 4.418 4.527 0.000 0.000 0.299 406 F C 1.566 177.449 175.800 0.139 0.000 1.096 406 F CA 1.388 59.548 58.000 0.268 0.000 1.255 406 F CB -0.084 39.100 39.000 0.307 0.000 0.997 406 F HN 0.175 nan 8.300 nan 0.000 0.479 407 N N -0.479 118.305 118.700 0.140 0.000 2.515 407 N HA -0.084 4.656 4.740 0.000 0.000 0.191 407 N C -0.423 174.945 175.510 -0.238 0.000 1.182 407 N CA 0.376 53.387 53.050 -0.066 0.000 0.879 407 N CB -0.654 37.771 38.487 -0.105 0.000 0.984 407 N HN 0.349 nan 8.380 nan 0.000 0.453 408 H N 1.477 120.515 119.070 -0.054 0.000 3.004 408 H HA 0.089 4.645 4.556 0.000 0.000 0.267 408 H C -1.138 174.045 175.328 -0.243 0.000 1.165 408 H CA -1.427 54.543 56.048 -0.131 0.000 1.450 408 H CB 1.124 30.827 29.762 -0.098 0.000 1.488 408 H HN 0.090 nan 8.280 nan 0.000 0.478 409 P HA -0.200 nan 4.420 nan 0.000 0.216 409 P C 1.601 178.605 177.300 -0.494 0.000 1.150 409 P CA 1.431 64.228 63.100 -0.505 0.000 0.843 409 P CB 0.245 31.390 31.700 -0.924 0.000 0.787 410 S N -0.631 114.796 115.700 -0.456 0.000 2.442 410 S HA -0.098 4.372 4.470 0.000 0.000 0.236 410 S C 1.118 175.730 174.600 0.020 0.000 1.007 410 S CA 0.396 58.492 58.200 -0.172 0.000 0.965 410 S CB -1.348 61.875 63.200 0.039 0.000 0.773 410 S HN 0.082 nan 8.310 nan 0.000 0.504 411 I N 2.429 122.947 120.570 -0.086 0.000 2.396 411 I HA 0.144 4.314 4.170 0.000 0.000 0.289 411 I C 0.816 176.800 176.117 -0.221 0.000 1.056 411 I CA -0.485 60.677 61.300 -0.230 0.000 1.365 411 I CB 0.765 38.474 38.000 -0.486 0.000 1.407 411 I HN 0.432 nan 8.210 nan 0.000 0.509 412 Y N 5.709 125.748 120.300 -0.435 0.000 2.445 412 Y HA 0.664 5.215 4.550 0.000 0.000 0.247 412 Y C -0.221 175.445 175.900 -0.390 0.000 1.129 412 Y CA -0.404 57.408 58.100 -0.480 0.000 1.251 412 Y CB 0.499 38.488 38.460 -0.785 0.000 1.176 412 Y HN 0.309 nan 8.280 nan 0.000 0.522 413 V N 0.190 119.391 119.914 -1.189 0.000 3.147 413 V HA 0.411 4.531 4.120 0.000 0.000 0.299 413 V C -2.281 173.129 176.094 -1.140 0.000 1.302 413 V CA -1.260 60.365 62.300 -1.125 0.000 1.015 413 V CB 1.529 32.566 31.823 -1.310 0.000 1.086 413 V HN 0.279 nan 8.190 nan 0.000 0.437 414 W N 3.294 124.304 121.300 -0.483 0.000 2.529 414 W HA 0.759 5.419 4.660 0.000 0.000 0.321 414 W C 0.515 176.730 176.519 -0.508 0.000 1.047 414 W CA -0.737 56.366 57.345 -0.404 0.000 1.216 414 W CB 1.919 31.254 29.460 -0.209 0.000 1.357 414 W HN 0.880 nan 8.180 nan 0.000 0.489 415 G N 2.871 111.502 108.800 -0.281 0.000 2.325 415 G HA2 0.435 4.395 3.960 0.000 0.000 0.298 415 G HA3 0.435 4.395 3.960 0.000 0.000 0.298 415 G C 0.228 175.107 174.900 -0.035 0.000 1.134 415 G CA -0.553 44.362 45.100 -0.308 0.000 0.876 415 G HN 0.700 nan 8.290 nan 0.000 0.452 416 L N 1.732 122.908 121.223 -0.079 0.000 2.253 416 L HA 0.273 4.613 4.340 0.000 0.000 0.205 416 L C 1.326 178.241 176.870 0.074 0.000 1.078 416 L CA 0.597 55.425 54.840 -0.019 0.000 0.805 416 L CB -0.342 41.671 42.059 -0.075 0.000 0.963 416 L HN 0.778 nan 8.230 nan 0.000 0.459 417 H N -1.434 117.667 119.070 0.053 0.000 2.960 417 H HA 0.422 4.978 4.556 0.000 0.000 0.323 417 H C -1.648 173.709 175.328 0.049 0.000 1.326 417 H CA -0.927 55.146 56.048 0.042 0.000 1.124 417 H CB 2.164 31.925 29.762 -0.001 0.000 1.853 417 H HN -0.074 nan 8.280 nan 0.000 0.536 418 N N 0.502 119.376 118.700 0.290 0.000 2.572 418 N HA 0.106 4.846 4.740 0.000 0.000 0.287 418 N C -1.553 173.900 175.510 -0.095 0.000 1.136 418 N CA -0.338 52.804 53.050 0.153 0.000 0.900 418 N CB 1.286 39.846 38.487 0.121 0.000 1.484 418 N HN 0.824 nan 8.380 nan 0.000 0.526 419 E N 0.549 120.641 120.200 -0.179 0.000 2.246 419 E HA -0.162 4.188 4.350 0.000 0.000 0.211 419 E C -0.683 175.423 176.600 -0.822 0.000 1.278 419 E CA 0.784 56.917 56.400 -0.445 0.000 0.694 419 E CB -1.452 28.145 29.700 -0.171 0.000 1.166 419 E HN 0.414 nan 8.360 nan 0.000 0.370 420 V N -2.609 116.691 119.914 -1.023 0.000 2.667 420 V HA 0.702 4.822 4.120 0.000 0.000 0.308 420 V C 0.073 175.566 176.094 -1.002 0.000 1.048 420 V CA -0.522 61.261 62.300 -0.861 0.000 0.928 420 V CB 1.310 32.843 31.823 -0.484 0.000 1.004 420 V HN 0.233 nan 8.190 nan 0.000 0.444 421 Y N 0.081 120.418 120.300 0.062 0.000 2.627 421 Y HA 0.423 4.973 4.550 0.000 0.000 0.103 421 Y C 0.621 176.634 175.900 0.189 0.000 0.930 421 Y CA -0.565 57.688 58.100 0.254 0.000 1.840 421 Y CB -0.176 38.492 38.460 0.346 0.000 1.162 421 Y HN 0.414 nan 8.280 nan 0.000 0.218 422 Q N 3.310 123.236 119.800 0.210 0.000 2.327 422 Q HA 0.283 4.623 4.340 0.000 0.000 0.254 422 Q C -2.511 173.484 176.000 -0.010 0.000 0.952 422 Q CA -1.767 53.985 55.803 -0.085 0.000 0.884 422 Q CB 0.386 29.041 28.738 -0.137 0.000 1.224 422 Q HN 0.140 nan 8.270 nan 0.000 0.422 423 P HA 0.144 nan 4.420 nan 0.000 0.287 423 P C 0.297 177.636 177.300 0.065 0.000 1.294 423 P CA -0.269 62.793 63.100 -0.063 0.000 0.776 423 P CB 0.582 32.268 31.700 -0.024 0.000 0.889 424 H N 2.164 121.312 119.070 0.131 0.000 2.321 424 H HA -0.193 4.364 4.556 0.000 0.000 0.295 424 H C 1.330 176.726 175.328 0.114 0.000 1.102 424 H CA 1.886 58.017 56.048 0.138 0.000 1.266 424 H CB -0.655 29.170 29.762 0.105 0.000 1.363 424 H HN 0.478 nan 8.280 nan 0.000 0.492 425 E N 0.082 120.411 120.200 0.216 0.000 2.049 425 E HA -0.213 4.137 4.350 0.000 0.000 0.198 425 E C 2.241 178.917 176.600 0.128 0.000 1.007 425 E CA 1.436 57.922 56.400 0.143 0.000 0.809 425 E CB -0.635 29.130 29.700 0.108 0.000 0.749 425 E HN 0.557 nan 8.360 nan 0.000 0.450 426 Y N 0.997 121.318 120.300 0.036 0.000 2.145 426 Y HA -0.243 4.307 4.550 0.000 0.000 0.286 426 Y C 2.296 178.213 175.900 0.029 0.000 1.145 426 Y CA 2.038 60.145 58.100 0.011 0.000 1.148 426 Y CB -0.442 37.999 38.460 -0.031 0.000 0.981 426 Y HN -0.010 nan 8.280 nan 0.000 0.507 427 T N 0.676 115.328 114.554 0.163 0.000 2.788 427 T HA -0.184 4.166 4.350 0.000 0.000 0.268 427 T C 2.079 176.788 174.700 0.016 0.000 1.044 427 T CA 1.310 63.458 62.100 0.080 0.000 1.139 427 T CB -0.706 68.245 68.868 0.138 0.000 0.867 427 T HN 0.514 nan 8.240 nan 0.000 0.454 428 A N 1.442 124.296 122.820 0.057 0.000 1.902 428 A HA 0.165 4.485 4.320 0.000 0.000 0.217 428 A C 2.648 180.218 177.584 -0.022 0.000 1.181 428 A CA 1.797 53.863 52.037 0.047 0.000 0.623 428 A CB -1.099 17.940 19.000 0.066 0.000 0.818 428 A HN 0.501 nan 8.150 nan 0.000 0.443 429 A N -0.430 122.336 122.820 -0.089 0.000 1.877 429 A HA -0.050 4.270 4.320 0.000 0.000 0.216 429 A C 2.132 179.616 177.584 -0.167 0.000 1.186 429 A CA 1.783 53.743 52.037 -0.129 0.000 0.620 429 A CB -0.697 18.198 19.000 -0.175 0.000 0.822 429 A HN 0.674 nan 8.150 nan 0.000 0.443 430 L N 0.014 121.061 121.223 -0.294 0.000 2.012 430 L HA -0.149 4.191 4.340 0.000 0.000 0.210 430 L C 2.484 179.321 176.870 -0.055 0.000 1.073 430 L CA 2.928 57.631 54.840 -0.229 0.000 0.748 430 L CB -1.245 40.639 42.059 -0.292 0.000 0.891 430 L HN 0.405 nan 8.230 nan 0.000 0.431 431 T N -0.354 114.207 114.554 0.012 0.000 2.746 431 T HA -0.184 4.166 4.350 0.000 0.000 0.267 431 T C 1.983 176.705 174.700 0.036 0.000 1.039 431 T CA 1.593 63.731 62.100 0.063 0.000 1.142 431 T CB -0.239 68.695 68.868 0.109 0.000 0.866 431 T HN 0.360 nan 8.240 nan 0.000 0.444 432 R N 1.271 121.779 120.500 0.014 0.000 2.083 432 R HA -0.099 4.241 4.340 0.000 0.000 0.237 432 R C 3.054 179.396 176.300 0.070 0.000 1.137 432 R CA 1.814 57.934 56.100 0.032 0.000 0.951 432 R CB -0.558 29.745 30.300 0.005 0.000 0.851 432 R HN 0.538 nan 8.270 nan 0.000 0.434 433 S N 1.054 116.766 115.700 0.020 0.000 2.383 433 S HA -0.084 4.386 4.470 0.000 0.000 0.227 433 S C 2.134 176.745 174.600 0.017 0.000 1.026 433 S CA 0.797 59.003 58.200 0.011 0.000 0.981 433 S CB -0.477 62.711 63.200 -0.019 0.000 0.818 433 S HN 0.211 nan 8.310 nan 0.000 0.472 434 L N 0.879 122.117 121.223 0.025 0.000 2.012 434 L HA -0.157 4.183 4.340 0.000 0.000 0.210 434 L C 2.912 179.805 176.870 0.037 0.000 1.073 434 L CA 2.164 57.018 54.840 0.024 0.000 0.748 434 L CB -0.853 41.227 42.059 0.035 0.000 0.891 434 L HN 0.488 nan 8.230 nan 0.000 0.431 435 H N -0.053 119.000 119.070 -0.027 0.000 2.319 435 H HA -0.257 4.300 4.556 0.000 0.000 0.299 435 H C 2.120 177.439 175.328 -0.015 0.000 1.092 435 H CA 2.205 58.240 56.048 -0.021 0.000 1.302 435 H CB -0.166 29.582 29.762 -0.023 0.000 1.373 435 H HN 0.277 nan 8.280 nan 0.000 0.497 436 D N -0.104 120.291 120.400 -0.008 0.000 2.178 436 D HA -0.164 4.476 4.640 0.000 0.000 0.201 436 D C 2.334 178.572 176.300 -0.104 0.000 0.980 436 D CA 1.113 55.068 54.000 -0.074 0.000 0.842 436 D CB -0.149 40.660 40.800 0.015 0.000 0.948 436 D HN 0.519 nan 8.370 nan 0.000 0.472 437 L N 0.346 121.522 121.223 -0.079 0.000 2.044 437 L HA -0.063 4.277 4.340 0.000 0.000 0.205 437 L C 2.616 179.414 176.870 -0.119 0.000 1.075 437 L CA 1.402 56.190 54.840 -0.086 0.000 0.747 437 L CB -0.389 41.630 42.059 -0.068 0.000 0.903 437 L HN -0.017 nan 8.230 nan 0.000 0.435 438 A N 0.007 122.746 122.820 -0.135 0.000 1.958 438 A HA -0.246 4.074 4.320 0.000 0.000 0.221 438 A C 2.175 179.695 177.584 -0.106 0.000 1.178 438 A CA 1.893 53.845 52.037 -0.142 0.000 0.642 438 A CB -0.444 18.511 19.000 -0.075 0.000 0.816 438 A HN 0.358 nan 8.150 nan 0.000 0.453 439 K N -0.723 119.574 120.400 -0.172 0.000 2.228 439 K HA -0.012 4.308 4.320 0.000 0.000 0.202 439 K C 2.015 178.560 176.600 -0.092 0.000 1.051 439 K CA 1.500 57.694 56.287 -0.154 0.000 0.960 439 K CB -0.888 31.460 32.500 -0.253 0.000 0.743 439 K HN 0.541 nan 8.250 nan 0.000 0.458 440 T N 1.699 116.196 114.554 -0.095 0.000 2.732 440 T HA -0.064 4.287 4.350 0.000 0.000 0.261 440 T C 1.591 176.246 174.700 -0.074 0.000 1.040 440 T CA 1.066 63.119 62.100 -0.079 0.000 1.145 440 T CB 0.052 68.871 68.868 -0.081 0.000 0.866 440 T HN 0.203 nan 8.240 nan 0.000 0.427 441 E N 0.925 121.076 120.200 -0.082 0.000 2.107 441 E HA -0.038 4.312 4.350 0.000 0.000 0.191 441 E C 0.599 177.232 176.600 0.055 0.000 0.982 441 E CA 0.944 57.295 56.400 -0.081 0.000 0.809 441 E CB -0.011 29.614 29.700 -0.125 0.000 0.756 441 E HN 0.358 nan 8.360 nan 0.000 0.459 442 D N -0.569 119.891 120.400 0.100 0.000 2.735 442 D HA 0.095 4.735 4.640 0.000 0.000 0.291 442 D C -2.079 174.292 176.300 0.118 0.000 1.205 442 D CA -1.719 52.426 54.000 0.243 0.000 0.777 442 D CB 0.785 41.802 40.800 0.362 0.000 1.234 442 D HN -0.181 nan 8.370 nan 0.000 0.520 443 P HA -0.043 nan 4.420 nan 0.000 0.228 443 P C 0.370 177.649 177.300 -0.036 0.000 1.151 443 P CA 0.663 63.758 63.100 -0.008 0.000 0.770 443 P CB 0.512 32.203 31.700 -0.016 0.000 0.786 444 D N -0.697 119.687 120.400 -0.027 0.000 2.340 444 D HA 0.072 4.712 4.640 0.000 0.000 0.220 444 D C 0.811 177.020 176.300 -0.152 0.000 1.039 444 D CA 0.436 54.383 54.000 -0.088 0.000 0.866 444 D CB 0.261 41.019 40.800 -0.069 0.000 0.913 444 D HN 0.241 nan 8.370 nan 0.000 0.523 445 R N -0.294 120.135 120.500 -0.118 0.000 2.740 445 R HA 0.323 4.663 4.340 0.000 0.000 0.282 445 R C -0.688 175.515 176.300 -0.163 0.000 0.969 445 R CA -0.778 55.212 56.100 -0.182 0.000 0.918 445 R CB 1.444 31.634 30.300 -0.185 0.000 1.175 445 R HN -0.127 nan 8.270 nan 0.000 0.464 446 Y N 0.507 120.736 120.300 -0.120 0.000 2.426 446 Y HA 0.059 4.609 4.550 0.000 0.000 0.344 446 Y C 1.178 176.979 175.900 -0.165 0.000 1.256 446 Y CA 0.277 58.311 58.100 -0.109 0.000 1.451 446 Y CB 0.836 39.233 38.460 -0.105 0.000 1.342 446 Y HN 0.517 nan 8.280 nan 0.000 0.600 447 T N -0.740 113.879 114.554 0.109 0.000 2.908 447 T HA 0.777 5.127 4.350 0.000 0.000 0.290 447 T C -1.042 173.584 174.700 -0.123 0.000 1.034 447 T CA -0.859 61.239 62.100 -0.002 0.000 1.010 447 T CB 1.697 70.658 68.868 0.155 0.000 1.068 447 T HN 0.544 nan 8.240 nan 0.000 0.481 448 V N 0.891 120.635 119.914 -0.283 0.000 3.147 448 V HA 0.888 5.008 4.120 0.000 0.000 0.306 448 V C -1.221 174.688 176.094 -0.309 0.000 1.209 448 V CA -0.210 61.889 62.300 -0.335 0.000 1.023 448 V CB 2.471 33.944 31.823 -0.584 0.000 1.059 448 V HN 1.544 nan 8.190 nan 0.000 0.435 449 S N 3.011 118.565 115.700 -0.243 0.000 2.564 449 S HA 0.841 5.312 4.470 0.000 0.000 0.274 449 S C -1.579 172.970 174.600 -0.085 0.000 1.124 449 S CA -0.657 57.349 58.200 -0.323 0.000 0.869 449 S CB 1.856 64.596 63.200 -0.767 0.000 1.105 449 S HN 0.864 nan 8.310 nan 0.000 0.472 450 V N 3.172 123.124 119.914 0.063 0.000 2.409 450 V HA 0.546 4.666 4.120 0.000 0.000 0.291 450 V C -0.294 175.916 176.094 0.193 0.000 1.020 450 V CA -0.735 61.670 62.300 0.175 0.000 0.848 450 V CB 1.432 33.381 31.823 0.211 0.000 0.990 450 V HN 0.960 nan 8.190 nan 0.000 0.430 451 N N 3.083 121.867 118.700 0.141 0.000 2.430 451 N HA 0.410 5.150 4.740 0.000 0.000 0.298 451 N C 0.903 176.466 175.510 0.089 0.000 1.130 451 N CA 0.205 53.328 53.050 0.121 0.000 0.894 451 N CB 2.495 41.027 38.487 0.074 0.000 1.209 451 N HN 0.685 nan 8.380 nan 0.000 0.503 452 G N 0.638 109.506 108.800 0.114 0.000 2.838 452 G HA2 0.033 3.994 3.960 0.000 0.000 0.210 452 G HA3 0.033 3.994 3.960 0.000 0.000 0.210 452 G C 0.047 174.823 174.900 -0.207 0.000 1.153 452 G CA 0.297 45.362 45.100 -0.058 0.000 0.778 452 G HN 0.505 nan 8.290 nan 0.000 0.539 453 Y N -0.733 119.541 120.300 -0.043 0.000 2.340 453 Y HA 0.457 5.008 4.550 0.000 0.000 0.327 453 Y C 1.779 177.681 175.900 0.003 0.000 1.321 453 Y CA 0.189 58.265 58.100 -0.040 0.000 1.433 453 Y CB 1.346 39.771 38.460 -0.058 0.000 1.373 453 Y HN -0.071 nan 8.280 nan 0.000 0.538 454 G N -1.262 107.752 108.800 0.356 0.000 2.662 454 G HA2 -0.023 3.937 3.960 0.000 0.000 0.212 454 G HA3 -0.023 3.937 3.960 0.000 0.000 0.212 454 G C -0.250 175.032 174.900 0.636 0.000 1.141 454 G CA -0.053 45.304 45.100 0.429 0.000 0.797 454 G HN 0.783 nan 8.290 nan 0.000 0.531 455 H N -2.053 117.244 119.070 0.379 0.000 2.525 455 H HA 0.603 5.159 4.556 0.000 0.000 0.339 455 H C 1.449 176.888 175.328 0.184 0.000 1.109 455 H CA -0.823 55.391 56.048 0.277 0.000 1.352 455 H CB 1.729 31.608 29.762 0.195 0.000 1.461 455 H HN -0.085 nan 8.280 nan 0.000 0.533 456 M N 1.471 121.123 119.600 0.087 0.000 2.067 456 M HA -0.151 4.330 4.480 0.000 0.000 0.260 456 M C 0.848 177.091 176.300 -0.094 0.000 1.069 456 M CA 1.567 56.772 55.300 -0.159 0.000 1.117 456 M CB -0.108 32.057 32.600 -0.724 0.000 1.334 456 M HN 0.904 nan 8.290 nan 0.000 0.407 457 D N -0.722 119.681 120.400 0.004 0.000 2.870 457 D HA -0.075 4.565 4.640 0.000 0.000 0.241 457 D C -0.032 176.341 176.300 0.122 0.000 1.234 457 D CA -0.087 53.948 54.000 0.059 0.000 0.844 457 D CB -1.348 39.511 40.800 0.099 0.000 1.051 457 D HN 0.424 nan 8.370 nan 0.000 0.469 458 H N 1.348 120.386 119.070 -0.053 0.000 2.815 458 H HA 0.057 4.613 4.556 0.000 0.000 0.350 458 H C -1.554 173.707 175.328 -0.111 0.000 1.080 458 H CA -1.168 54.803 56.048 -0.128 0.000 1.433 458 H CB 1.457 31.016 29.762 -0.339 0.000 1.432 458 H HN -0.131 nan 8.280 nan 0.000 0.592 459 P HA -0.185 nan 4.420 nan 0.000 0.219 459 P C 1.201 178.539 177.300 0.064 0.000 1.144 459 P CA 1.731 64.729 63.100 -0.169 0.000 0.806 459 P CB 0.120 31.524 31.700 -0.494 0.000 0.771 460 V N -5.883 114.218 119.914 0.313 0.000 3.542 460 V HA 0.284 4.404 4.120 0.000 0.000 0.296 460 V C 0.459 176.663 176.094 0.184 0.000 1.364 460 V CA -0.252 62.183 62.300 0.225 0.000 1.118 460 V CB -0.906 31.056 31.823 0.233 0.000 0.972 460 V HN -0.107 nan 8.190 nan 0.000 0.430 461 N N 0.915 119.700 118.700 0.142 0.000 2.379 461 N HA 0.626 5.366 4.740 0.000 0.000 0.260 461 N C 0.538 176.060 175.510 0.021 0.000 1.254 461 N CA -0.170 52.922 53.050 0.070 0.000 0.958 461 N CB 0.695 39.205 38.487 0.039 0.000 1.208 461 N HN 0.259 nan 8.380 nan 0.000 0.532 462 L N -1.190 120.021 121.223 -0.020 0.000 4.496 462 L HA -0.268 4.073 4.340 0.000 0.000 0.419 462 L C 0.168 176.986 176.870 -0.088 0.000 1.139 462 L CA 0.196 55.007 54.840 -0.049 0.000 0.975 462 L CB -1.389 40.650 42.059 -0.033 0.000 2.099 462 L HN 0.578 nan 8.230 nan 0.000 0.818 463 N N -0.090 118.549 118.700 -0.102 0.000 2.336 463 N HA 0.350 5.090 4.740 0.000 0.000 0.189 463 N C 0.693 176.009 175.510 -0.322 0.000 1.113 463 N CA 0.919 53.865 53.050 -0.172 0.000 0.858 463 N CB 0.751 39.188 38.487 -0.084 0.000 0.970 463 N HN 0.545 nan 8.380 nan 0.000 0.471 464 A N -0.081 122.593 122.820 -0.244 0.000 2.389 464 A HA 0.422 4.742 4.320 0.000 0.000 0.293 464 A C 0.385 177.894 177.584 -0.125 0.000 1.186 464 A CA -0.499 51.419 52.037 -0.198 0.000 0.828 464 A CB 1.039 19.974 19.000 -0.109 0.000 1.369 464 A HN -0.146 nan 8.150 nan 0.000 0.446 465 D N -0.426 119.988 120.400 0.023 0.000 2.178 465 D HA 0.056 4.696 4.640 0.000 0.000 0.202 465 D C 0.185 176.474 176.300 -0.018 0.000 0.974 465 D CA 1.609 55.653 54.000 0.074 0.000 0.841 465 D CB 0.063 41.003 40.800 0.234 0.000 0.953 465 D HN 0.444 nan 8.370 nan 0.000 0.478 466 I N 0.171 120.700 120.570 -0.068 0.000 2.647 466 I HA 0.178 4.348 4.170 0.000 0.000 0.295 466 I C -0.454 175.625 176.117 -0.063 0.000 1.078 466 I CA -1.030 60.218 61.300 -0.086 0.000 1.048 466 I CB 2.402 40.330 38.000 -0.120 0.000 1.239 466 I HN -0.366 nan 8.210 nan 0.000 0.421 467 Q N 3.356 123.140 119.800 -0.027 0.000 2.314 467 Q HA 0.636 4.976 4.340 0.000 0.000 0.259 467 Q C -0.606 175.435 176.000 0.069 0.000 0.951 467 Q CA -0.347 55.458 55.803 0.004 0.000 0.909 467 Q CB 1.869 30.609 28.738 0.002 0.000 1.236 467 Q HN 0.795 nan 8.270 nan 0.000 0.444 468 G N 3.588 112.451 108.800 0.105 0.000 2.416 468 G HA2 0.687 4.647 3.960 0.000 0.000 0.329 468 G HA3 0.687 4.647 3.960 0.000 0.000 0.329 468 G C -0.995 174.013 174.900 0.179 0.000 1.173 468 G CA -0.696 44.520 45.100 0.192 0.000 0.929 468 G HN 0.609 nan 8.290 nan 0.000 0.475 469 M N 2.108 121.829 119.600 0.202 0.000 2.197 469 M HA 0.254 4.734 4.480 0.000 0.000 0.301 469 M C -0.878 175.452 176.300 0.050 0.000 0.987 469 M CA -0.928 54.465 55.300 0.156 0.000 0.921 469 M CB 2.145 34.910 32.600 0.276 0.000 1.569 469 M HN 0.312 nan 8.290 nan 0.000 0.431 470 N N 4.427 123.111 118.700 -0.028 0.000 2.399 470 N HA 0.210 4.950 4.740 0.000 0.000 0.259 470 N C -0.917 174.438 175.510 -0.259 0.000 1.160 470 N CA 0.049 53.008 53.050 -0.152 0.000 0.946 470 N CB 0.476 38.899 38.487 -0.106 0.000 1.156 470 N HN 0.401 nan 8.380 nan 0.000 0.489 471 R N 2.176 122.429 120.500 -0.413 0.000 2.534 471 R HA 0.306 4.646 4.340 0.000 0.000 0.301 471 R C -0.594 175.387 176.300 -0.531 0.000 0.961 471 R CA -0.520 55.247 56.100 -0.555 0.000 0.871 471 R CB 0.804 30.621 30.300 -0.805 0.000 1.170 471 R HN 0.503 nan 8.270 nan 0.000 0.446 472 Y N 1.401 121.522 120.300 -0.298 0.000 2.578 472 Y HA 0.317 4.867 4.550 0.000 0.000 0.317 472 Y C -0.352 175.526 175.900 -0.037 0.000 0.940 472 Y CA -0.748 57.310 58.100 -0.069 0.000 1.174 472 Y CB 0.173 38.679 38.460 0.077 0.000 1.198 472 Y HN 0.432 nan 8.280 nan 0.000 0.597 473 F N 0.892 120.910 119.950 0.113 0.000 2.608 473 F HA 0.335 4.862 4.527 0.000 0.000 0.380 473 F C 1.542 177.450 175.800 0.180 0.000 1.083 473 F CA 1.483 59.546 58.000 0.105 0.000 1.266 473 F CB 0.467 39.486 39.000 0.032 0.000 1.076 473 F HN 0.500 nan 8.300 nan 0.000 0.574 474 G N 2.407 111.435 108.800 0.380 0.000 2.217 474 G HA2 -0.303 3.657 3.960 0.000 0.000 0.246 474 G HA3 -0.303 3.657 3.960 0.000 0.000 0.246 474 G C 0.831 175.976 174.900 0.409 0.000 0.990 474 G CA 0.280 45.606 45.100 0.378 0.000 0.627 474 G HN 0.717 nan 8.290 nan 0.000 0.522 475 W N -0.166 121.198 121.300 0.107 0.000 3.330 475 W HA 0.301 4.961 4.660 0.000 0.000 0.243 475 W C 1.843 178.168 176.519 -0.323 0.000 0.954 475 W CA 1.266 58.529 57.345 -0.138 0.000 2.074 475 W CB 0.015 29.296 29.460 -0.297 0.000 1.096 475 W HN 0.189 nan 8.180 nan 0.000 0.643 476 Y N 0.884 121.202 120.300 0.031 0.000 2.523 476 Y HA 0.118 4.669 4.550 0.000 0.000 0.279 476 Y C 0.234 176.124 175.900 -0.017 0.000 1.139 476 Y CA 0.863 58.848 58.100 -0.191 0.000 1.296 476 Y CB 0.521 38.813 38.460 -0.279 0.000 1.045 476 Y HN -0.145 nan 8.280 nan 0.000 0.538 477 E N 0.313 120.601 120.200 0.146 0.000 2.388 477 E HA 0.215 4.565 4.350 0.000 0.000 0.289 477 E C -0.824 175.888 176.600 0.186 0.000 0.944 477 E CA -0.594 55.879 56.400 0.121 0.000 0.792 477 E CB 0.943 30.642 29.700 -0.002 0.000 1.239 477 E HN -0.010 nan 8.360 nan 0.000 0.412 478 K N 1.207 121.723 120.400 0.194 0.000 2.009 478 K HA -0.256 4.065 4.320 0.000 0.000 0.262 478 K C -0.490 176.247 176.600 0.228 0.000 1.647 478 K CA 1.328 57.752 56.287 0.228 0.000 0.655 478 K CB -0.715 31.992 32.500 0.344 0.000 0.797 478 K HN 0.550 nan 8.250 nan 0.000 0.855 479 K N 0.108 120.640 120.400 0.221 0.000 2.258 479 K HA 0.377 4.698 4.320 0.000 0.000 0.236 479 K C 1.548 178.242 176.600 0.158 0.000 1.008 479 K CA -0.561 55.825 56.287 0.164 0.000 0.869 479 K CB 0.857 33.401 32.500 0.073 0.000 1.171 479 K HN 0.369 nan 8.250 nan 0.000 0.447 480 I N 1.262 121.890 120.570 0.097 0.000 2.423 480 I HA -0.301 3.869 4.170 0.000 0.000 0.254 480 I C 1.548 177.600 176.117 -0.107 0.000 1.151 480 I CA 1.466 62.781 61.300 0.026 0.000 1.421 480 I CB -0.067 37.865 38.000 -0.114 0.000 1.079 480 I HN 0.514 nan 8.210 nan 0.000 0.431 481 Q N -0.151 119.496 119.800 -0.255 0.000 2.398 481 Q HA -0.072 4.268 4.340 0.000 0.000 0.204 481 Q C 1.436 177.334 176.000 -0.170 0.000 0.932 481 Q CA 0.612 56.174 55.803 -0.401 0.000 0.916 481 Q CB -0.014 28.429 28.738 -0.492 0.000 1.024 481 Q HN 0.333 nan 8.270 nan 0.000 0.504 482 D N 0.354 120.610 120.400 -0.239 0.000 2.350 482 D HA -0.103 4.537 4.640 0.000 0.000 0.216 482 D C 1.433 177.149 176.300 -0.973 0.000 0.968 482 D CA 0.372 54.105 54.000 -0.445 0.000 0.894 482 D CB 0.023 40.653 40.800 -0.284 0.000 0.909 482 D HN 0.295 nan 8.370 nan 0.000 0.520 483 I N 0.538 120.568 120.570 -0.901 0.000 2.530 483 I HA -0.287 3.883 4.170 0.000 0.000 0.257 483 I C 2.027 178.067 176.117 -0.128 0.000 1.179 483 I CA 1.102 62.064 61.300 -0.563 0.000 1.440 483 I CB 0.130 38.099 38.000 -0.052 0.000 1.087 483 I HN -0.076 nan 8.210 nan 0.000 0.440 484 K N 1.397 121.727 120.400 -0.115 0.000 1.975 484 K HA -0.071 4.250 4.320 0.000 0.000 0.210 484 K C -0.614 175.948 176.600 -0.063 0.000 1.041 484 K CA 1.436 57.676 56.287 -0.079 0.000 0.942 484 K CB -0.945 31.564 32.500 0.014 0.000 0.729 484 K HN 0.157 nan 8.250 nan 0.000 0.439 485 P HA -0.215 nan 4.420 nan 0.000 0.216 485 P C 1.034 178.350 177.300 0.027 0.000 1.154 485 P CA 1.334 64.428 63.100 -0.010 0.000 0.865 485 P CB -0.330 31.369 31.700 -0.001 0.000 0.789 486 W N 0.972 122.185 121.300 -0.144 0.000 2.317 486 W HA -0.214 4.446 4.660 0.000 0.000 0.318 486 W C 2.271 178.797 176.519 0.012 0.000 1.227 486 W CA 1.830 59.164 57.345 -0.019 0.000 1.269 486 W CB -1.168 28.309 29.460 0.029 0.000 1.155 486 W HN -0.189 nan 8.180 nan 0.000 0.484 487 V N 1.348 121.107 119.914 -0.258 0.000 2.379 487 V HA -0.226 3.894 4.120 0.000 0.000 0.245 487 V C 2.118 177.992 176.094 -0.367 0.000 1.044 487 V CA 2.597 64.562 62.300 -0.559 0.000 1.036 487 V CB -0.556 31.050 31.823 -0.361 0.000 0.664 487 V HN 0.300 nan 8.190 nan 0.000 0.453 488 E N -0.513 119.573 120.200 -0.189 0.000 2.118 488 E HA -0.320 4.031 4.350 0.000 0.000 0.195 488 E C 2.168 178.664 176.600 -0.172 0.000 0.992 488 E CA 1.604 57.941 56.400 -0.105 0.000 0.804 488 E CB -0.113 29.572 29.700 -0.025 0.000 0.741 488 E HN 0.570 nan 8.360 nan 0.000 0.458 489 Q N 0.626 120.322 119.800 -0.172 0.000 2.137 489 Q HA -0.086 4.254 4.340 0.000 0.000 0.198 489 Q C 1.957 177.845 176.000 -0.186 0.000 0.960 489 Q CA 0.721 56.442 55.803 -0.136 0.000 0.847 489 Q CB -0.110 28.598 28.738 -0.051 0.000 0.915 489 Q HN 0.151 nan 8.270 nan 0.000 0.448 490 L N 1.349 122.392 121.223 -0.299 0.000 1.989 490 L HA -0.193 4.148 4.340 0.000 0.000 0.211 490 L C 2.180 178.826 176.870 -0.373 0.000 1.071 490 L CA 2.505 57.193 54.840 -0.254 0.000 0.749 490 L CB -1.029 40.745 42.059 -0.474 0.000 0.890 490 L HN 0.544 nan 8.230 nan 0.000 0.431 491 E N -1.202 118.532 120.200 -0.776 0.000 2.204 491 E HA -0.268 4.082 4.350 0.000 0.000 0.195 491 E C 2.053 178.380 176.600 -0.454 0.000 0.990 491 E CA 1.231 57.018 56.400 -1.022 0.000 0.821 491 E CB -0.283 28.812 29.700 -1.009 0.000 0.750 491 E HN 0.429 nan 8.360 nan 0.000 0.477 492 K N 0.789 120.997 120.400 -0.320 0.000 1.984 492 K HA -0.112 4.208 4.320 0.000 0.000 0.209 492 K C 1.899 178.349 176.600 -0.251 0.000 1.046 492 K CA 1.802 57.951 56.287 -0.230 0.000 0.934 492 K CB 0.039 32.434 32.500 -0.174 0.000 0.717 492 K HN 0.099 nan 8.250 nan 0.000 0.438 493 D N -0.817 119.396 120.400 -0.311 0.000 2.224 493 D HA -0.099 4.541 4.640 0.000 0.000 0.205 493 D C 0.002 175.754 176.300 -0.913 0.000 0.965 493 D CA 1.212 54.854 54.000 -0.596 0.000 0.852 493 D CB 0.257 40.635 40.800 -0.703 0.000 0.947 493 D HN 0.266 nan 8.370 nan 0.000 0.494 494 Y N -0.745 119.546 120.300 -0.014 0.000 2.558 494 Y HA 0.221 4.772 4.550 0.000 0.000 0.316 494 Y C -1.788 174.196 175.900 0.140 0.000 0.967 494 Y CA -1.680 56.477 58.100 0.095 0.000 1.126 494 Y CB 1.160 39.704 38.460 0.139 0.000 1.155 494 Y HN -0.111 nan 8.280 nan 0.000 0.628 495 P HA -0.188 nan 4.420 nan 0.000 0.221 495 P C 0.616 177.896 177.300 -0.033 0.000 1.145 495 P CA 1.679 64.751 63.100 -0.045 0.000 0.795 495 P CB 0.241 31.752 31.700 -0.314 0.000 0.775 496 Y N -0.550 119.868 120.300 0.196 0.000 2.497 496 Y HA 0.102 4.652 4.550 0.000 0.000 0.265 496 Y C 1.579 177.553 175.900 0.123 0.000 1.111 496 Y CA 0.097 58.280 58.100 0.139 0.000 1.288 496 Y CB -0.312 38.210 38.460 0.104 0.000 1.082 496 Y HN -0.039 nan 8.280 nan 0.000 0.536 497 Q N 1.658 121.634 119.800 0.294 0.000 2.286 497 Q HA 0.133 4.473 4.340 0.000 0.000 0.257 497 Q C -0.413 175.583 176.000 -0.007 0.000 0.941 497 Q CA -0.165 55.730 55.803 0.153 0.000 0.912 497 Q CB 0.967 29.803 28.738 0.163 0.000 1.192 497 Q HN 0.266 nan 8.270 nan 0.000 0.410 498 K N 2.238 122.612 120.400 -0.044 0.000 2.378 498 K HA 0.199 4.519 4.320 0.000 0.000 0.288 498 K C -0.320 176.196 176.600 -0.139 0.000 1.057 498 K CA -0.164 56.045 56.287 -0.130 0.000 0.971 498 K CB 0.237 32.664 32.500 -0.120 0.000 0.975 498 K HN 0.313 nan 8.250 nan 0.000 0.475 499 L N 3.726 124.799 121.223 -0.250 0.000 2.346 499 L HA 0.536 4.876 4.340 0.000 0.000 0.274 499 L C -1.049 175.804 176.870 -0.029 0.000 1.007 499 L CA -0.411 54.348 54.840 -0.135 0.000 0.818 499 L CB 1.628 43.562 42.059 -0.209 0.000 1.284 499 L HN 0.617 nan 8.230 nan 0.000 0.424 500 M N 4.395 124.065 119.600 0.117 0.000 2.393 500 M HA 0.386 4.866 4.480 0.000 0.000 0.299 500 M C -1.560 174.905 176.300 0.275 0.000 1.103 500 M CA -0.776 54.654 55.300 0.217 0.000 0.910 500 M CB 2.181 34.984 32.600 0.337 0.000 1.659 500 M HN 0.476 nan 8.290 nan 0.000 0.445 501 L N 3.516 124.908 121.223 0.281 0.000 2.295 501 L HA 0.368 4.708 4.340 0.000 0.000 0.288 501 L C 0.896 177.945 176.870 0.298 0.000 1.079 501 L CA 0.575 55.582 54.840 0.279 0.000 0.830 501 L CB 0.596 42.793 42.059 0.230 0.000 1.200 501 L HN 0.884 nan 8.230 nan 0.000 0.438 502 T N 0.453 115.139 114.554 0.220 0.000 3.069 502 T HA 0.376 4.726 4.350 0.000 0.000 0.252 502 T C 0.240 174.974 174.700 0.058 0.000 1.053 502 T CA -0.035 62.158 62.100 0.156 0.000 0.964 502 T CB -0.101 68.818 68.868 0.086 0.000 1.005 502 T HN 0.624 nan 8.240 nan 0.000 0.532 503 E N 0.025 120.252 120.200 0.044 0.000 2.431 503 E HA 0.483 4.833 4.350 0.000 0.000 0.287 503 E C -1.934 174.539 176.600 -0.211 0.000 1.032 503 E CA -1.153 55.217 56.400 -0.050 0.000 0.839 503 E CB 1.859 31.388 29.700 -0.285 0.000 1.218 503 E HN 0.505 nan 8.360 nan 0.000 0.424 504 Y N -0.285 119.806 120.300 -0.348 0.000 2.677 504 Y HA 0.798 5.348 4.550 0.000 0.000 0.334 504 Y C -0.151 175.671 175.900 -0.130 0.000 1.196 504 Y CA -0.188 57.612 58.100 -0.501 0.000 1.059 504 Y CB 1.461 39.797 38.460 -0.207 0.000 1.315 504 Y HN 0.832 nan 8.280 nan 0.000 0.455 505 G N 0.353 109.076 108.800 -0.129 0.000 2.320 505 G HA2 0.592 4.552 3.960 0.000 0.000 0.274 505 G HA3 0.592 4.552 3.960 0.000 0.000 0.274 505 G C -1.832 172.982 174.900 -0.143 0.000 1.324 505 G CA -0.069 44.904 45.100 -0.212 0.000 0.957 505 G HN 2.018 nan 8.290 nan 0.000 0.481 506 A N -0.753 121.873 122.820 -0.324 0.000 2.594 506 A HA 0.671 4.991 4.320 0.000 0.000 0.296 506 A C -1.056 176.022 177.584 -0.844 0.000 1.061 506 A CA -0.344 51.157 52.037 -0.892 0.000 0.689 506 A CB 1.308 20.133 19.000 -0.292 0.000 1.280 506 A HN 0.704 nan 8.150 nan 0.000 0.406 507 D N 0.588 120.115 120.400 -1.454 0.000 2.400 507 D HA 0.452 5.092 4.640 0.000 0.000 0.238 507 D C 0.139 176.325 176.300 -0.190 0.000 1.157 507 D CA 1.232 54.861 54.000 -0.619 0.000 0.889 507 D CB 1.354 41.808 40.800 -0.576 0.000 1.199 507 D HN 0.922 nan 8.370 nan 0.000 0.436 508 A N 2.216 125.026 122.820 -0.017 0.000 2.530 508 A HA 0.179 4.499 4.320 0.000 0.000 0.279 508 A C -0.669 176.952 177.584 0.062 0.000 1.109 508 A CA -0.811 51.269 52.037 0.072 0.000 0.763 508 A CB 0.872 19.906 19.000 0.057 0.000 1.257 508 A HN 0.426 nan 8.150 nan 0.000 0.424 509 N N 3.403 122.140 118.700 0.063 0.000 2.437 509 N HA 0.284 5.024 4.740 0.000 0.000 0.259 509 N C 0.680 176.126 175.510 -0.106 0.000 0.983 509 N CA -0.580 52.419 53.050 -0.084 0.000 0.937 509 N CB 0.967 39.275 38.487 -0.298 0.000 1.122 509 N HN 0.623 nan 8.380 nan 0.000 0.499 510 L N 2.288 123.475 121.223 -0.059 0.000 2.353 510 L HA -0.083 4.257 4.340 0.000 0.000 0.220 510 L C 1.830 178.709 176.870 0.013 0.000 1.133 510 L CA 0.923 55.763 54.840 0.000 0.000 0.798 510 L CB -0.324 41.744 42.059 0.015 0.000 0.922 510 L HN 0.564 nan 8.230 nan 0.000 0.445 511 A N -1.601 121.190 122.820 -0.048 0.000 2.238 511 A HA 0.008 4.328 4.320 0.000 0.000 0.208 511 A C 0.374 178.108 177.584 0.250 0.000 1.177 511 A CA 0.022 52.090 52.037 0.053 0.000 0.804 511 A CB -0.559 18.458 19.000 0.029 0.000 0.823 511 A HN 0.441 nan 8.150 nan 0.000 0.482 512 H N 0.557 119.684 119.070 0.095 0.000 2.541 512 H HA 0.440 4.996 4.556 0.000 0.000 0.316 512 H C -0.831 174.518 175.328 0.035 0.000 1.043 512 H CA -0.711 55.387 56.048 0.083 0.000 1.232 512 H CB 0.792 30.445 29.762 -0.181 0.000 1.406 512 H HN 0.216 nan 8.280 nan 0.000 0.469 513 Q N 2.897 122.858 119.800 0.268 0.000 2.295 513 Q HA 0.271 4.611 4.340 0.000 0.000 0.259 513 Q C -0.745 175.392 176.000 0.228 0.000 0.966 513 Q CA -0.343 55.571 55.803 0.185 0.000 0.763 513 Q CB 2.715 31.538 28.738 0.142 0.000 1.283 513 Q HN 0.630 nan 8.270 nan 0.000 0.445 514 T N 0.088 114.770 114.554 0.212 0.000 2.883 514 T HA 0.411 4.761 4.350 0.000 0.000 0.296 514 T C -0.211 174.577 174.700 0.147 0.000 1.117 514 T CA -0.381 61.863 62.100 0.241 0.000 1.006 514 T CB 1.291 70.400 68.868 0.402 0.000 1.191 514 T HN 0.660 nan 8.240 nan 0.000 0.508 515 E N 1.228 121.481 120.200 0.088 0.000 2.603 515 E HA 0.120 4.470 4.350 0.000 0.000 0.211 515 E C -0.910 175.620 176.600 -0.117 0.000 0.995 515 E CA -0.369 56.008 56.400 -0.038 0.000 0.990 515 E CB 0.098 29.706 29.700 -0.153 0.000 1.036 515 E HN 0.581 nan 8.360 nan 0.000 0.475 516 Y N 1.820 122.179 120.300 0.098 0.000 2.714 516 Y HA 0.334 4.884 4.550 0.000 0.000 0.333 516 Y C -0.380 175.599 175.900 0.133 0.000 1.220 516 Y CA -0.290 57.868 58.100 0.096 0.000 1.513 516 Y CB 0.415 38.922 38.460 0.079 0.000 1.435 516 Y HN 0.054 nan 8.280 nan 0.000 0.489 517 L N 2.000 123.353 121.223 0.218 0.000 2.376 517 L HA 0.577 4.917 4.340 0.000 0.000 0.275 517 L C 0.888 177.898 176.870 0.233 0.000 0.987 517 L CA -0.759 54.241 54.840 0.266 0.000 0.828 517 L CB 1.694 43.934 42.059 0.301 0.000 1.249 517 L HN 0.599 nan 8.230 nan 0.000 0.409 518 G N 0.990 109.931 108.800 0.234 0.000 2.481 518 G HA2 0.062 4.022 3.960 0.000 0.000 0.251 518 G HA3 0.062 4.022 3.960 0.000 0.000 0.251 518 G C 0.079 175.125 174.900 0.244 0.000 1.492 518 G CA -0.142 45.070 45.100 0.186 0.000 1.060 518 G HN 0.653 nan 8.290 nan 0.000 0.553 519 D N 0.173 120.687 120.400 0.190 0.000 2.402 519 D HA 0.443 5.083 4.640 0.000 0.000 0.216 519 D C 0.469 176.944 176.300 0.291 0.000 1.128 519 D CA 0.313 54.425 54.000 0.186 0.000 0.833 519 D CB 0.822 41.654 40.800 0.053 0.000 0.971 519 D HN 0.459 nan 8.370 nan 0.000 0.503 520 A N 0.677 123.676 122.820 0.299 0.000 2.488 520 A HA 0.563 4.883 4.320 0.000 0.000 0.298 520 A C -1.197 176.310 177.584 -0.127 0.000 1.044 520 A CA -0.680 51.478 52.037 0.201 0.000 0.693 520 A CB 1.524 20.581 19.000 0.095 0.000 1.272 520 A HN 0.128 nan 8.150 nan 0.000 0.402 521 L N 1.697 122.569 121.223 -0.584 0.000 2.357 521 L HA 0.438 4.778 4.340 0.000 0.000 0.273 521 L C 0.509 177.074 176.870 -0.509 0.000 1.080 521 L CA -0.325 54.016 54.840 -0.832 0.000 0.803 521 L CB 1.184 42.405 42.059 -1.395 0.000 1.174 521 L HN 0.786 nan 8.230 nan 0.000 0.443 522 N N 4.640 123.129 118.700 -0.351 0.000 2.508 522 N HA 0.005 4.745 4.740 0.000 0.000 0.253 522 N C 0.470 175.789 175.510 -0.318 0.000 1.145 522 N CA -0.400 52.478 53.050 -0.287 0.000 0.973 522 N CB 0.346 38.719 38.487 -0.189 0.000 1.305 522 N HN 0.789 nan 8.380 nan 0.000 0.506 523 W N 3.719 124.696 121.300 -0.539 0.000 3.204 523 W HA 0.232 4.892 4.660 0.000 0.000 0.249 523 W C 0.426 176.919 176.519 -0.043 0.000 1.322 523 W CA -0.049 56.992 57.345 -0.506 0.000 1.593 523 W CB -0.474 28.335 29.460 -1.086 0.000 1.122 523 W HN 0.372 nan 8.180 nan 0.000 0.710 524 G N 1.277 109.708 108.800 -0.615 0.000 2.576 524 G HA2 -0.078 3.882 3.960 0.000 0.000 0.210 524 G HA3 -0.078 3.882 3.960 0.000 0.000 0.210 524 G C 0.482 175.230 174.900 -0.252 0.000 1.143 524 G CA -0.271 44.468 45.100 -0.602 0.000 0.819 524 G HN 0.043 nan 8.290 nan 0.000 0.534 525 K N 1.530 121.824 120.400 -0.177 0.000 2.276 525 K HA 0.253 4.573 4.320 0.000 0.000 0.283 525 K C -2.238 174.320 176.600 -0.069 0.000 1.044 525 K CA -1.949 54.273 56.287 -0.108 0.000 0.944 525 K CB 1.489 33.932 32.500 -0.096 0.000 1.012 525 K HN -0.091 nan 8.250 nan 0.000 0.472 526 P HA 0.008 nan 4.420 nan 0.000 0.246 526 P C -1.119 176.138 177.300 -0.071 0.000 1.675 526 P CA 0.173 63.180 63.100 -0.155 0.000 0.908 526 P CB -0.496 31.161 31.700 -0.071 0.000 1.890 527 F N 1.819 121.621 119.950 -0.247 0.000 2.513 527 F HA 0.363 4.890 4.527 0.000 0.000 0.358 527 F C -1.109 174.850 175.800 0.265 0.000 1.118 527 F CA -1.539 56.359 58.000 -0.169 0.000 1.037 527 F CB 0.948 39.822 39.000 -0.210 0.000 1.276 527 F HN -0.100 nan 8.300 nan 0.000 0.446 528 Y N 6.023 126.403 120.300 0.133 0.000 2.837 528 Y HA 0.397 4.947 4.550 0.000 0.000 0.356 528 Y C -2.494 173.413 175.900 0.011 0.000 1.035 528 Y CA -3.672 54.507 58.100 0.131 0.000 1.165 528 Y CB -0.070 38.568 38.460 0.297 0.000 1.147 528 Y HN 0.348 nan 8.280 nan 0.000 0.628 529 P HA 0.074 nan 4.420 nan 0.000 0.271 529 P C 1.129 178.508 177.300 0.131 0.000 1.220 529 P CA 0.083 63.146 63.100 -0.062 0.000 0.768 529 P CB 1.225 32.820 31.700 -0.176 0.000 0.848 530 E N 2.591 122.862 120.200 0.119 0.000 2.108 530 E HA -0.304 4.047 4.350 0.000 0.000 0.203 530 E C 1.337 178.028 176.600 0.151 0.000 1.022 530 E CA 2.623 59.102 56.400 0.131 0.000 0.823 530 E CB -0.377 29.395 29.700 0.120 0.000 0.744 530 E HN 0.584 nan 8.360 nan 0.000 0.456 531 T N -1.466 113.175 114.554 0.145 0.000 2.822 531 T HA -0.223 4.127 4.350 0.000 0.000 0.270 531 T C 1.669 176.466 174.700 0.162 0.000 1.064 531 T CA 1.345 63.526 62.100 0.136 0.000 1.131 531 T CB -0.557 68.385 68.868 0.124 0.000 0.858 531 T HN 0.270 nan 8.240 nan 0.000 0.483 532 F N 1.599 121.601 119.950 0.087 0.000 2.234 532 F HA 0.136 4.663 4.527 0.000 0.000 0.296 532 F C 2.784 178.650 175.800 0.110 0.000 1.089 532 F CA 1.031 59.100 58.000 0.116 0.000 1.343 532 F CB -0.321 38.783 39.000 0.173 0.000 1.040 532 F HN 0.137 nan 8.300 nan 0.000 0.498 533 Q N -0.455 119.479 119.800 0.223 0.000 2.170 533 Q HA -0.179 4.162 4.340 0.000 0.000 0.203 533 Q C 1.713 177.767 176.000 0.089 0.000 0.976 533 Q CA 2.060 57.943 55.803 0.133 0.000 0.858 533 Q CB -0.135 28.683 28.738 0.132 0.000 0.907 533 Q HN 0.369 nan 8.270 nan 0.000 0.433 534 T N 0.477 115.055 114.554 0.040 0.000 2.812 534 T HA -0.086 4.264 4.350 0.000 0.000 0.264 534 T C 1.635 176.237 174.700 -0.163 0.000 1.042 534 T CA 1.210 63.295 62.100 -0.025 0.000 1.140 534 T CB -0.077 68.811 68.868 0.035 0.000 0.870 534 T HN 0.269 nan 8.240 nan 0.000 0.445 535 K N 0.650 120.941 120.400 -0.181 0.000 2.097 535 K HA -0.116 4.204 4.320 0.000 0.000 0.206 535 K C 2.285 178.719 176.600 -0.277 0.000 1.049 535 K CA 1.388 57.539 56.287 -0.227 0.000 0.933 535 K CB -0.181 32.154 32.500 -0.276 0.000 0.717 535 K HN 0.235 nan 8.250 nan 0.000 0.442 536 T N 0.265 114.604 114.554 -0.357 0.000 2.674 536 T HA -0.129 4.221 4.350 0.000 0.000 0.265 536 T C 1.593 176.203 174.700 -0.150 0.000 1.039 536 T CA 1.149 63.084 62.100 -0.275 0.000 1.150 536 T CB -0.380 68.316 68.868 -0.286 0.000 0.864 536 T HN 0.340 nan 8.240 nan 0.000 0.427 537 H N 0.937 119.959 119.070 -0.080 0.000 2.457 537 H HA 0.057 4.613 4.556 0.000 0.000 0.294 537 H C 2.316 177.483 175.328 -0.269 0.000 1.064 537 H CA 1.047 57.092 56.048 -0.005 0.000 1.330 537 H CB 0.071 29.804 29.762 -0.048 0.000 1.395 537 H HN 0.540 nan 8.280 nan 0.000 0.541 538 E N 0.026 119.892 120.200 -0.556 0.000 2.028 538 E HA -0.178 4.173 4.350 0.000 0.000 0.191 538 E C 1.993 178.470 176.600 -0.206 0.000 0.988 538 E CA 0.828 56.678 56.400 -0.916 0.000 0.799 538 E CB -0.146 29.043 29.700 -0.851 0.000 0.755 538 E HN 0.388 nan 8.360 nan 0.000 0.447 539 Y N 1.654 121.759 120.300 -0.325 0.000 2.114 539 Y HA -0.250 4.301 4.550 0.000 0.000 0.284 539 Y C 2.332 178.103 175.900 -0.215 0.000 1.143 539 Y CA 1.770 59.563 58.100 -0.512 0.000 1.135 539 Y CB 0.096 38.246 38.460 -0.516 0.000 0.980 539 Y HN 0.011 nan 8.280 nan 0.000 0.499 540 Q N -0.577 119.235 119.800 0.020 0.000 2.084 540 Q HA -0.266 4.074 4.340 0.000 0.000 0.202 540 Q C 2.205 178.220 176.000 0.026 0.000 0.978 540 Q CA 1.657 57.472 55.803 0.021 0.000 0.844 540 Q CB -0.714 28.107 28.738 0.138 0.000 0.898 540 Q HN 0.759 nan 8.270 nan 0.000 0.426 541 W N 1.594 122.973 121.300 0.132 0.000 2.358 541 W HA -0.224 4.436 4.660 0.000 0.000 0.303 541 W C 2.189 178.736 176.519 0.047 0.000 1.208 541 W CA 1.815 59.276 57.345 0.192 0.000 1.274 541 W CB -0.180 29.497 29.460 0.361 0.000 1.138 541 W HN 0.231 nan 8.180 nan 0.000 0.515 542 S N 0.710 116.322 115.700 -0.146 0.000 2.400 542 S HA -0.243 4.227 4.470 0.000 0.000 0.232 542 S C 1.712 176.066 174.600 -0.410 0.000 1.025 542 S CA 1.536 59.564 58.200 -0.286 0.000 0.993 542 S CB -0.886 62.242 63.200 -0.120 0.000 0.808 542 S HN 0.223 nan 8.310 nan 0.000 0.478 543 I N 1.470 121.768 120.570 -0.453 0.000 2.400 543 I HA 0.066 4.236 4.170 0.000 0.000 0.248 543 I C 2.474 178.392 176.117 -0.332 0.000 1.109 543 I CA 0.589 61.664 61.300 -0.376 0.000 1.425 543 I CB -1.113 36.635 38.000 -0.421 0.000 1.094 543 I HN 0.309 nan 8.210 nan 0.000 0.425 544 I N 1.341 121.672 120.570 -0.398 0.000 2.118 544 I HA -0.374 3.797 4.170 0.000 0.000 0.241 544 I C 2.643 178.497 176.117 -0.437 0.000 1.070 544 I CA 1.747 62.830 61.300 -0.363 0.000 1.327 544 I CB -0.378 37.424 38.000 -0.330 0.000 1.034 544 I HN 0.205 nan 8.210 nan 0.000 0.405 545 K N 0.652 120.545 120.400 -0.844 0.000 2.211 545 K HA -0.223 4.097 4.320 0.000 0.000 0.204 545 K C 1.359 177.802 176.600 -0.261 0.000 1.047 545 K CA 1.784 57.665 56.287 -0.676 0.000 0.935 545 K CB -0.037 31.934 32.500 -0.881 0.000 0.728 545 K HN 0.247 nan 8.250 nan 0.000 0.452 546 D N -0.176 120.134 120.400 -0.150 0.000 2.355 546 D HA -0.022 4.619 4.640 0.000 0.000 0.218 546 D C -0.338 175.941 176.300 -0.036 0.000 1.004 546 D CA 0.655 54.631 54.000 -0.040 0.000 0.880 546 D CB 0.128 40.929 40.800 0.002 0.000 0.911 546 D HN 0.299 nan 8.370 nan 0.000 0.528 547 H N -0.272 118.723 119.070 -0.125 0.000 2.736 547 H HA 0.197 4.753 4.556 0.000 0.000 0.271 547 H C -1.529 173.791 175.328 -0.013 0.000 1.184 547 H CA -1.907 54.110 56.048 -0.052 0.000 1.378 547 H CB 1.365 31.108 29.762 -0.032 0.000 1.428 547 H HN -0.119 nan 8.280 nan 0.000 0.500 548 P HA -0.250 nan 4.420 nan 0.000 0.221 548 P C 1.454 178.802 177.300 0.079 0.000 1.145 548 P CA 0.989 64.108 63.100 0.031 0.000 0.795 548 P CB 0.292 31.993 31.700 0.003 0.000 0.775 549 Y N 1.054 121.356 120.300 0.004 0.000 2.228 549 Y HA -0.137 4.414 4.550 0.000 0.000 0.285 549 Y C 1.237 177.152 175.900 0.024 0.000 1.178 549 Y CA 1.020 59.125 58.100 0.008 0.000 1.202 549 Y CB -0.815 37.646 38.460 0.001 0.000 0.974 549 Y HN -0.179 nan 8.280 nan 0.000 0.527 550 I N 1.531 122.157 120.570 0.093 0.000 2.357 550 I HA -0.081 4.090 4.170 0.000 0.000 0.300 550 I C 0.852 176.963 176.117 -0.010 0.000 1.159 550 I CA -0.134 61.181 61.300 0.026 0.000 1.339 550 I CB 0.211 38.271 38.000 0.101 0.000 1.458 550 I HN 0.226 nan 8.210 nan 0.000 0.577 551 I N 5.177 125.712 120.570 -0.059 0.000 2.194 551 I HA -0.216 3.955 4.170 0.000 0.000 0.246 551 I C 1.226 177.344 176.117 0.002 0.000 1.093 551 I CA 1.402 62.691 61.300 -0.019 0.000 1.355 551 I CB -0.212 37.784 38.000 -0.006 0.000 1.046 551 I HN 0.660 nan 8.210 nan 0.000 0.413 552 A N -1.275 121.567 122.820 0.036 0.000 2.609 552 A HA 0.781 5.101 4.320 0.000 0.000 0.291 552 A C -0.733 176.867 177.584 0.027 0.000 1.096 552 A CA -0.101 51.915 52.037 -0.035 0.000 0.684 552 A CB 1.172 20.120 19.000 -0.087 0.000 1.282 552 A HN 0.077 nan 8.150 nan 0.000 0.412 553 S N -0.386 115.263 115.700 -0.086 0.000 2.549 553 S HA 0.795 5.265 4.470 0.000 0.000 0.280 553 S C -1.578 172.917 174.600 -0.174 0.000 1.109 553 S CA -0.508 57.731 58.200 0.066 0.000 0.905 553 S CB 1.091 64.421 63.200 0.218 0.000 1.081 553 S HN 0.649 nan 8.310 nan 0.000 0.477 554 Y N 2.175 122.593 120.300 0.196 0.000 2.332 554 Y HA 0.472 5.022 4.550 0.000 0.000 0.326 554 Y C -0.059 175.910 175.900 0.115 0.000 0.978 554 Y CA -1.186 56.951 58.100 0.062 0.000 1.205 554 Y CB 1.220 39.604 38.460 -0.126 0.000 1.131 554 Y HN 0.814 nan 8.280 nan 0.000 0.462 555 L N 0.411 121.671 121.223 0.061 0.000 2.453 555 L HA 0.401 4.741 4.340 0.000 0.000 0.261 555 L C -0.561 176.280 176.870 -0.049 0.000 1.179 555 L CA -0.940 53.695 54.840 -0.342 0.000 0.813 555 L CB 0.919 42.623 42.059 -0.592 0.000 1.110 555 L HN 0.706 nan 8.230 nan 0.000 0.466 556 W N 3.797 124.935 121.300 -0.270 0.000 2.362 556 W HA 0.457 5.117 4.660 0.000 0.000 0.316 556 W C -0.963 175.526 176.519 -0.050 0.000 1.024 556 W CA -0.422 56.871 57.345 -0.087 0.000 1.270 556 W CB 1.489 30.988 29.460 0.064 0.000 1.273 556 W HN 0.829 nan 8.180 nan 0.000 0.424 557 N N 4.420 122.965 118.700 -0.259 0.000 2.610 557 N HA 0.156 4.896 4.740 0.000 0.000 0.264 557 N C 0.387 175.662 175.510 -0.391 0.000 1.348 557 N CA -0.402 52.331 53.050 -0.528 0.000 0.819 557 N CB 1.757 39.700 38.487 -0.907 0.000 1.521 557 N HN 0.391 nan 8.380 nan 0.000 0.497 558 M N 0.918 120.257 119.600 -0.436 0.000 2.080 558 M HA 0.169 4.649 4.480 0.000 0.000 0.260 558 M C -0.536 175.325 176.300 -0.731 0.000 1.068 558 M CA 1.890 56.831 55.300 -0.600 0.000 1.109 558 M CB -0.160 32.036 32.600 -0.673 0.000 1.342 558 M HN 0.479 nan 8.290 nan 0.000 0.405 559 F N -0.530 119.372 119.950 -0.080 0.000 2.579 559 F HA 0.385 4.912 4.527 0.000 0.000 0.324 559 F C 0.139 175.947 175.800 0.013 0.000 1.058 559 F CA -1.737 56.257 58.000 -0.010 0.000 0.944 559 F CB 0.521 39.547 39.000 0.043 0.000 1.245 559 F HN -0.219 nan 8.300 nan 0.000 0.477 560 D N 1.090 121.600 120.400 0.183 0.000 2.362 560 D HA 0.393 5.033 4.640 0.000 0.000 0.242 560 D C -0.570 175.590 176.300 -0.234 0.000 1.132 560 D CA 0.469 54.445 54.000 -0.040 0.000 0.907 560 D CB 0.604 41.370 40.800 -0.057 0.000 1.195 560 D HN 0.354 nan 8.370 nan 0.000 0.429 561 F N -1.408 118.171 119.950 -0.619 0.000 2.685 561 F HA 0.743 5.270 4.527 0.000 0.000 0.315 561 F C -0.825 174.524 175.800 -0.751 0.000 1.126 561 F CA -1.650 55.752 58.000 -0.996 0.000 0.950 561 F CB 0.625 39.397 39.000 -0.380 0.000 1.360 561 F HN 0.271 nan 8.300 nan 0.000 0.469 562 A N 0.805 123.439 122.820 -0.310 0.000 2.425 562 A HA 0.615 4.935 4.320 0.000 0.000 0.249 562 A C -0.734 176.907 177.584 0.095 0.000 1.084 562 A CA -0.378 51.676 52.037 0.029 0.000 0.781 562 A CB 0.363 19.546 19.000 0.305 0.000 1.019 562 A HN 1.036 nan 8.150 nan 0.000 0.490 563 V N 4.654 124.604 119.914 0.061 0.000 2.558 563 V HA 0.198 4.319 4.120 0.000 0.000 0.261 563 V C -2.099 174.056 176.094 0.102 0.000 0.958 563 V CA -0.657 61.727 62.300 0.141 0.000 0.852 563 V CB 1.229 33.176 31.823 0.207 0.000 1.067 563 V HN 0.778 nan 8.190 nan 0.000 0.468 564 P HA -0.110 nan 4.420 nan 0.000 0.220 564 P C 1.770 179.084 177.300 0.022 0.000 1.148 564 P CA 0.890 63.979 63.100 -0.018 0.000 0.803 564 P CB 0.306 31.797 31.700 -0.348 0.000 0.782 565 M N -2.191 117.311 119.600 -0.164 0.000 2.149 565 M HA -0.060 4.420 4.480 0.000 0.000 0.261 565 M C 0.151 175.980 176.300 -0.784 0.000 1.064 565 M CA 1.766 56.684 55.300 -0.637 0.000 1.102 565 M CB -0.440 31.504 32.600 -1.094 0.000 1.369 565 M HN -0.120 nan 8.290 nan 0.000 0.408 566 W N -2.713 118.673 121.300 0.144 0.000 3.021 566 W HA 0.582 5.242 4.660 0.000 0.000 0.337 566 W C -0.684 175.914 176.519 0.132 0.000 1.171 566 W CA -0.906 56.522 57.345 0.137 0.000 1.060 566 W CB 0.438 29.989 29.460 0.151 0.000 1.472 566 W HN -0.412 nan 8.180 nan 0.000 0.594 567 T N 1.725 116.530 114.554 0.418 0.000 2.881 567 T HA 0.602 4.952 4.350 0.000 0.000 0.291 567 T C -0.681 174.173 174.700 0.256 0.000 0.990 567 T CA -0.807 61.457 62.100 0.273 0.000 0.976 567 T CB 1.035 70.019 68.868 0.194 0.000 0.970 567 T HN 0.244 nan 8.240 nan 0.000 0.438 568 R N 0.612 121.255 120.500 0.238 0.000 2.837 568 R HA 0.649 4.990 4.340 0.000 0.000 0.271 568 R C 0.886 177.207 176.300 0.036 0.000 0.993 568 R CA -0.596 55.639 56.100 0.224 0.000 0.931 568 R CB 1.634 32.212 30.300 0.464 0.000 1.206 568 R HN 0.831 nan 8.270 nan 0.000 0.474 569 G N 0.388 108.956 108.800 -0.387 0.000 2.296 569 G HA2 -0.228 3.732 3.960 0.000 0.000 0.282 569 G HA3 -0.228 3.732 3.960 0.000 0.000 0.282 569 G C 0.848 175.663 174.900 -0.141 0.000 1.014 569 G CA 1.122 45.745 45.100 -0.795 0.000 0.812 569 G HN 1.230 nan 8.290 nan 0.000 0.508 570 G N -2.558 106.225 108.800 -0.027 0.000 2.527 570 G HA2 0.004 3.965 3.960 0.000 0.000 0.218 570 G HA3 0.004 3.965 3.960 0.000 0.000 0.218 570 G C 1.189 176.122 174.900 0.055 0.000 1.177 570 G CA 1.313 46.448 45.100 0.058 0.000 0.695 570 G HN 2.265 nan 8.290 nan 0.000 0.517 571 V N 1.763 121.702 119.914 0.042 0.000 2.607 571 V HA 0.752 4.872 4.120 0.000 0.000 0.289 571 V C -2.045 174.111 176.094 0.104 0.000 1.053 571 V CA -1.389 60.946 62.300 0.060 0.000 0.996 571 V CB 1.485 33.324 31.823 0.027 0.000 0.995 571 V HN 0.401 nan 8.190 nan 0.000 0.476 572 P HA 0.444 nan 4.420 nan 0.000 0.282 572 P C 0.213 177.622 177.300 0.181 0.000 1.249 572 P CA 0.670 63.864 63.100 0.157 0.000 0.806 572 P CB 1.576 33.366 31.700 0.151 0.000 0.984 573 A N 0.759 123.692 122.820 0.188 0.000 2.861 573 A HA -0.239 4.081 4.320 0.000 0.000 0.261 573 A C 0.449 178.116 177.584 0.139 0.000 1.351 573 A CA 1.351 53.496 52.037 0.180 0.000 0.904 573 A CB -2.345 16.775 19.000 0.200 0.000 1.076 573 A HN 0.654 nan 8.150 nan 0.000 0.729 574 R N 0.593 121.153 120.500 0.101 0.000 2.480 574 R HA 0.537 4.877 4.340 0.000 0.000 0.306 574 R C -0.483 175.753 176.300 -0.107 0.000 0.958 574 R CA -0.352 55.733 56.100 -0.025 0.000 0.861 574 R CB 0.688 31.001 30.300 0.021 0.000 1.171 574 R HN 0.409 nan 8.270 nan 0.000 0.445 575 N N 5.040 123.496 118.700 -0.407 0.000 2.426 575 N HA 0.143 4.884 4.740 0.000 0.000 0.257 575 N C -0.636 174.626 175.510 -0.412 0.000 1.002 575 N CA -0.078 52.691 53.050 -0.467 0.000 0.942 575 N CB 0.906 38.787 38.487 -1.010 0.000 1.112 575 N HN 0.704 nan 8.380 nan 0.000 0.499 576 M N 3.536 123.039 119.600 -0.162 0.000 3.007 576 M HA 0.187 4.667 4.480 0.000 0.000 0.288 576 M C 0.742 176.977 176.300 -0.108 0.000 1.246 576 M CA -0.063 55.179 55.300 -0.096 0.000 1.040 576 M CB 0.410 33.024 32.600 0.024 0.000 1.254 576 M HN 0.315 nan 8.290 nan 0.000 0.517 577 K N -0.050 120.271 120.400 -0.132 0.000 2.374 577 K HA 0.193 4.513 4.320 0.000 0.000 0.196 577 K C 0.921 177.467 176.600 -0.090 0.000 1.023 577 K CA -0.249 55.975 56.287 -0.104 0.000 1.103 577 K CB 0.544 33.037 32.500 -0.012 0.000 0.848 577 K HN 0.439 nan 8.250 nan 0.000 0.528 578 G N 0.952 109.698 108.800 -0.090 0.000 2.491 578 G HA2 0.039 3.999 3.960 0.000 0.000 0.242 578 G HA3 0.039 3.999 3.960 0.000 0.000 0.242 578 G C 0.858 175.689 174.900 -0.114 0.000 1.266 578 G CA -0.449 44.587 45.100 -0.108 0.000 0.844 578 G HN 0.096 nan 8.290 nan 0.000 0.571 579 L N 0.978 122.091 121.223 -0.183 0.000 2.217 579 L HA 0.149 4.489 4.340 0.000 0.000 0.211 579 L C 0.852 177.681 176.870 -0.068 0.000 1.107 579 L CA 0.824 55.586 54.840 -0.130 0.000 0.783 579 L CB -0.513 41.444 42.059 -0.170 0.000 0.919 579 L HN 0.363 nan 8.230 nan 0.000 0.442 580 I N -0.922 119.587 120.570 -0.102 0.000 2.740 580 I HA 0.216 4.386 4.170 0.000 0.000 0.303 580 I C 0.558 176.726 176.117 0.084 0.000 1.044 580 I CA -0.750 60.545 61.300 -0.009 0.000 1.064 580 I CB 2.094 40.108 38.000 0.023 0.000 1.249 580 I HN -0.036 nan 8.210 nan 0.000 0.433 581 T N 0.196 114.795 114.554 0.075 0.000 2.766 581 T HA 0.072 4.422 4.350 0.000 0.000 0.295 581 T C 0.852 175.640 174.700 0.146 0.000 1.024 581 T CA -0.155 61.988 62.100 0.071 0.000 1.018 581 T CB 0.673 69.543 68.868 0.003 0.000 1.002 581 T HN 0.445 nan 8.240 nan 0.000 0.532 582 F N 1.838 121.744 119.950 -0.072 0.000 2.293 582 F HA 0.015 4.543 4.527 0.000 0.000 0.300 582 F C 1.638 177.346 175.800 -0.154 0.000 1.086 582 F CA 1.041 59.008 58.000 -0.055 0.000 1.375 582 F CB -0.884 38.127 39.000 0.018 0.000 1.045 582 F HN 0.767 nan 8.300 nan 0.000 0.516 583 D N -1.627 118.681 120.400 -0.153 0.000 2.339 583 D HA 0.004 4.644 4.640 0.000 0.000 0.217 583 D C 1.025 177.079 176.300 -0.411 0.000 1.050 583 D CA 0.203 54.048 54.000 -0.257 0.000 0.856 583 D CB -0.058 40.647 40.800 -0.157 0.000 0.922 583 D HN 0.022 nan 8.370 nan 0.000 0.518 584 R N -1.294 119.009 120.500 -0.329 0.000 3.804 584 R HA -0.139 4.201 4.340 0.000 0.000 0.459 584 R C 0.862 177.133 176.300 -0.048 0.000 1.009 584 R CA 1.224 57.157 56.100 -0.278 0.000 1.210 584 R CB -2.337 27.438 30.300 -0.875 0.000 1.860 584 R HN 0.370 nan 8.270 nan 0.000 0.526 585 K N -1.158 119.215 120.400 -0.045 0.000 2.168 585 K HA 0.194 4.514 4.320 0.000 0.000 0.201 585 K C 0.074 176.696 176.600 0.037 0.000 1.049 585 K CA 1.263 57.556 56.287 0.011 0.000 0.974 585 K CB 0.516 33.010 32.500 -0.011 0.000 0.792 585 K HN 0.071 nan 8.250 nan 0.000 0.463 586 T N 2.617 117.183 114.554 0.021 0.000 2.771 586 T HA 0.268 4.618 4.350 0.000 0.000 0.281 586 T C -0.716 173.994 174.700 0.016 0.000 0.982 586 T CA -0.723 61.398 62.100 0.035 0.000 0.978 586 T CB 1.507 70.397 68.868 0.038 0.000 0.930 586 T HN -0.026 nan 8.240 nan 0.000 0.447 587 K N 3.349 123.749 120.400 -0.001 0.000 2.211 587 K HA 0.382 4.702 4.320 0.000 0.000 0.275 587 K C 0.091 176.757 176.600 0.110 0.000 1.024 587 K CA -0.851 55.383 56.287 -0.087 0.000 0.887 587 K CB 1.609 33.843 32.500 -0.444 0.000 1.084 587 K HN 0.468 nan 8.250 nan 0.000 0.463 588 K N 1.520 121.982 120.400 0.102 0.000 2.120 588 K HA 0.026 4.347 4.320 0.000 0.000 0.245 588 K C 0.301 177.076 176.600 0.292 0.000 1.024 588 K CA -0.684 55.709 56.287 0.177 0.000 0.906 588 K CB 0.406 32.969 32.500 0.104 0.000 1.051 588 K HN 0.407 nan 8.250 nan 0.000 0.491 589 D N 0.559 121.160 120.400 0.335 0.000 2.158 589 D HA -0.142 4.498 4.640 0.000 0.000 0.197 589 D C 1.600 178.095 176.300 0.324 0.000 0.995 589 D CA 1.477 55.744 54.000 0.446 0.000 0.846 589 D CB -0.117 40.937 40.800 0.423 0.000 0.941 589 D HN 0.355 nan 8.370 nan 0.000 0.456 590 S N -0.712 115.078 115.700 0.150 0.000 2.402 590 S HA -0.156 4.314 4.470 0.000 0.000 0.229 590 S C 1.677 176.231 174.600 -0.076 0.000 1.021 590 S CA 0.275 58.469 58.200 -0.011 0.000 0.974 590 S CB -0.333 62.769 63.200 -0.162 0.000 0.800 590 S HN 0.378 nan 8.310 nan 0.000 0.484 591 Y N 1.373 121.548 120.300 -0.208 0.000 2.151 591 Y HA -0.254 4.297 4.550 0.000 0.000 0.284 591 Y C 1.559 177.134 175.900 -0.541 0.000 1.166 591 Y CA 1.691 59.533 58.100 -0.429 0.000 1.163 591 Y CB -0.392 37.706 38.460 -0.604 0.000 0.974 591 Y HN 0.254 nan 8.280 nan 0.000 0.511 592 F N -1.564 118.299 119.950 -0.145 0.000 2.512 592 F HA -0.097 4.430 4.527 0.000 0.000 0.296 592 F C 2.388 177.989 175.800 -0.333 0.000 1.110 592 F CA 0.815 58.642 58.000 -0.288 0.000 1.446 592 F CB -0.867 37.677 39.000 -0.760 0.000 1.092 592 F HN 0.299 nan 8.300 nan 0.000 0.554 593 W N -0.014 120.958 121.300 -0.547 0.000 2.354 593 W HA -0.307 4.353 4.660 0.000 0.000 0.315 593 W C 1.701 177.567 176.519 -1.089 0.000 1.206 593 W CA 1.765 58.428 57.345 -1.136 0.000 1.290 593 W CB -0.731 28.056 29.460 -1.121 0.000 1.152 593 W HN 0.064 nan 8.180 nan 0.000 0.489 594 Y N 1.116 120.797 120.300 -1.031 0.000 2.163 594 Y HA -0.210 4.340 4.550 0.000 0.000 0.288 594 Y C 2.664 177.806 175.900 -1.265 0.000 1.136 594 Y CA 2.370 59.489 58.100 -1.634 0.000 1.147 594 Y CB -1.221 36.217 38.460 -1.703 0.000 0.987 594 Y HN -0.058 nan 8.280 nan 0.000 0.509 595 K N 0.401 120.339 120.400 -0.771 0.000 2.074 595 K HA -0.225 4.095 4.320 0.000 0.000 0.209 595 K C 2.175 178.543 176.600 -0.387 0.000 1.048 595 K CA 1.525 57.494 56.287 -0.531 0.000 0.926 595 K CB -0.349 31.848 32.500 -0.505 0.000 0.713 595 K HN 0.239 nan 8.250 nan 0.000 0.444 596 A N 0.982 123.545 122.820 -0.428 0.000 1.969 596 A HA -0.095 4.225 4.320 0.000 0.000 0.218 596 A C 1.743 179.054 177.584 -0.454 0.000 1.169 596 A CA 1.453 53.292 52.037 -0.330 0.000 0.635 596 A CB -0.411 18.448 19.000 -0.235 0.000 0.810 596 A HN 0.410 nan 8.150 nan 0.000 0.445 597 N N -1.893 116.322 118.700 -0.808 0.000 2.463 597 N HA -0.060 4.681 4.740 0.000 0.000 0.181 597 N C 0.857 176.114 175.510 -0.422 0.000 1.078 597 N CA 0.756 53.342 53.050 -0.773 0.000 0.902 597 N CB 0.031 37.692 38.487 -1.377 0.000 0.970 597 N HN 0.696 nan 8.380 nan 0.000 0.451 598 W N 0.183 121.136 121.300 -0.579 0.000 3.471 598 W HA 0.342 5.002 4.660 0.000 0.000 0.230 598 W C 1.616 177.999 176.519 -0.227 0.000 1.105 598 W CA -0.487 56.555 57.345 -0.505 0.000 1.631 598 W CB -1.026 28.071 29.460 -0.606 0.000 0.848 598 W HN -0.279 nan 8.180 nan 0.000 0.766 599 S N 0.376 116.084 115.700 0.013 0.000 2.602 599 S HA 0.082 4.552 4.470 0.000 0.000 0.257 599 S C 1.060 175.653 174.600 -0.012 0.000 1.250 599 S CA 0.453 58.649 58.200 -0.007 0.000 0.986 599 S CB 0.596 63.768 63.200 -0.047 0.000 1.040 599 S HN 0.065 nan 8.310 nan 0.000 0.562 600 E N -0.693 119.499 120.200 -0.012 0.000 2.603 600 E HA 0.125 4.475 4.350 0.000 0.000 0.218 600 E C -0.591 176.005 176.600 -0.006 0.000 0.878 600 E CA -0.014 56.380 56.400 -0.010 0.000 1.348 600 E CB 0.224 29.919 29.700 -0.008 0.000 1.318 600 E HN 0.618 nan 8.360 nan 0.000 0.673 601 E N 3.674 123.875 120.200 0.001 0.000 2.392 601 E HA 0.132 4.482 4.350 0.000 0.000 0.264 601 E C -2.252 174.346 176.600 -0.003 0.000 1.024 601 E CA -1.792 54.620 56.400 0.019 0.000 0.903 601 E CB 0.103 29.829 29.700 0.042 0.000 0.963 601 E HN -0.020 nan 8.360 nan 0.000 0.432 602 P HA -0.015 nan 4.420 nan 0.000 0.264 602 P C -0.449 176.823 177.300 -0.046 0.000 1.193 602 P CA 0.216 63.227 63.100 -0.148 0.000 0.763 602 P CB 0.507 31.971 31.700 -0.394 0.000 0.810 603 V N 5.264 125.158 119.914 -0.033 0.000 2.525 603 V HA 0.393 4.513 4.120 0.000 0.000 0.299 603 V C -0.211 175.949 176.094 0.110 0.000 1.034 603 V CA -0.582 61.773 62.300 0.091 0.000 0.863 603 V CB 1.812 33.704 31.823 0.114 0.000 0.999 603 V HN 0.400 nan 8.190 nan 0.000 0.423 604 L N 6.179 127.501 121.223 0.165 0.000 2.446 604 L HA 0.708 5.049 4.340 0.000 0.000 0.268 604 L C -1.748 175.251 176.870 0.214 0.000 0.975 604 L CA -0.278 54.665 54.840 0.171 0.000 0.848 604 L CB 1.539 43.665 42.059 0.113 0.000 1.225 604 L HN 0.655 nan 8.230 nan 0.000 0.410 605 Y N 5.015 125.354 120.300 0.065 0.000 2.362 605 Y HA 0.615 5.165 4.550 0.000 0.000 0.326 605 Y C -1.743 174.098 175.900 -0.099 0.000 1.083 605 Y CA -0.771 57.304 58.100 -0.043 0.000 1.073 605 Y CB 1.505 39.956 38.460 -0.015 0.000 1.211 605 Y HN 0.595 nan 8.280 nan 0.000 0.433 606 L N 5.864 126.726 121.223 -0.601 0.000 2.305 606 L HA 0.450 4.790 4.340 0.000 0.000 0.281 606 L C 0.573 176.987 176.870 -0.760 0.000 1.085 606 L CA -0.448 54.080 54.840 -0.519 0.000 0.813 606 L CB 1.388 43.202 42.059 -0.408 0.000 1.157 606 L HN 0.790 nan 8.230 nan 0.000 0.436 607 T N -0.356 113.962 114.554 -0.393 0.000 2.899 607 T HA 0.277 4.627 4.350 0.000 0.000 0.284 607 T C 0.252 174.973 174.700 0.035 0.000 1.004 607 T CA -0.555 61.448 62.100 -0.161 0.000 1.043 607 T CB 1.330 70.149 68.868 -0.083 0.000 1.013 607 T HN 0.698 nan 8.240 nan 0.000 0.518 608 Q N -0.551 119.329 119.800 0.134 0.000 2.506 608 Q HA -0.217 4.123 4.340 0.000 0.000 0.268 608 Q C 1.468 177.678 176.000 0.349 0.000 1.002 608 Q CA 0.827 56.778 55.803 0.247 0.000 1.052 608 Q CB -1.117 27.803 28.738 0.303 0.000 1.383 608 Q HN 0.946 nan 8.270 nan 0.000 0.537 609 R N 0.477 121.072 120.500 0.159 0.000 2.152 609 R HA -0.104 4.236 4.340 0.000 0.000 0.232 609 R C 1.445 177.853 176.300 0.181 0.000 1.117 609 R CA 1.572 57.750 56.100 0.130 0.000 0.981 609 R CB -0.071 30.218 30.300 -0.018 0.000 0.870 609 R HN 0.257 nan 8.270 nan 0.000 0.451 610 R N 0.262 120.861 120.500 0.166 0.000 2.317 610 R HA 0.077 4.418 4.340 0.000 0.000 0.208 610 R C 0.157 176.536 176.300 0.132 0.000 0.914 610 R CA 0.082 56.266 56.100 0.140 0.000 1.060 610 R CB 0.071 30.447 30.300 0.126 0.000 1.015 610 R HN 0.115 nan 8.270 nan 0.000 0.498 611 N N 0.579 119.362 118.700 0.139 0.000 3.301 611 N HA 0.143 4.883 4.740 0.000 0.000 0.289 611 N C 0.094 175.574 175.510 -0.051 0.000 1.343 611 N CA -0.198 52.873 53.050 0.036 0.000 1.136 611 N CB 1.005 39.470 38.487 -0.036 0.000 1.402 611 N HN 0.104 nan 8.380 nan 0.000 0.516 612 A N 0.636 123.496 122.820 0.067 0.000 1.984 612 A HA 0.016 4.336 4.320 0.000 0.000 0.214 612 A C 0.902 178.507 177.584 0.036 0.000 1.173 612 A CA 0.354 52.469 52.037 0.130 0.000 0.673 612 A CB -0.088 19.017 19.000 0.175 0.000 0.830 612 A HN 0.438 nan 8.150 nan 0.000 0.453 613 D N 1.507 121.916 120.400 0.015 0.000 2.498 613 D HA 0.087 4.728 4.640 0.000 0.000 0.229 613 D C 0.044 176.331 176.300 -0.022 0.000 1.188 613 D CA -0.117 53.890 54.000 0.011 0.000 1.028 613 D CB -0.190 40.626 40.800 0.026 0.000 1.087 613 D HN 0.042 nan 8.370 nan 0.000 0.510 614 R N 2.004 122.488 120.500 -0.027 0.000 2.623 614 R HA 0.023 4.363 4.340 0.000 0.000 0.271 614 R C 1.036 177.387 176.300 0.084 0.000 1.043 614 R CA 0.273 56.349 56.100 -0.039 0.000 1.083 614 R CB 0.510 30.829 30.300 0.033 0.000 0.974 614 R HN 0.513 nan 8.270 nan 0.000 0.436 615 E N 1.369 121.611 120.200 0.070 0.000 2.307 615 E HA 0.033 4.383 4.350 0.000 0.000 0.195 615 E C -0.282 176.458 176.600 0.233 0.000 0.975 615 E CA 0.745 57.241 56.400 0.160 0.000 0.878 615 E CB 0.488 30.315 29.700 0.210 0.000 0.845 615 E HN 0.347 nan 8.360 nan 0.000 0.488 616 K N 0.105 120.588 120.400 0.139 0.000 2.422 616 K HA 0.364 4.684 4.320 0.000 0.000 0.251 616 K C 0.137 176.631 176.600 -0.177 0.000 0.933 616 K CA -0.575 55.753 56.287 0.068 0.000 0.798 616 K CB 2.410 34.884 32.500 -0.043 0.000 1.238 616 K HN -0.164 nan 8.250 nan 0.000 0.428 617 R N 0.650 120.940 120.500 -0.351 0.000 2.115 617 R HA -0.006 4.334 4.340 0.000 0.000 0.230 617 R C -0.120 175.978 176.300 -0.337 0.000 1.111 617 R CA 1.208 56.880 56.100 -0.712 0.000 0.976 617 R CB 0.256 30.260 30.300 -0.492 0.000 0.870 617 R HN 0.480 nan 8.270 nan 0.000 0.445 618 T N 0.571 115.017 114.554 -0.180 0.000 2.770 618 T HA 0.232 4.583 4.350 0.000 0.000 0.297 618 T C -0.600 174.048 174.700 -0.088 0.000 0.997 618 T CA -0.307 61.730 62.100 -0.104 0.000 0.949 618 T CB 1.704 70.534 68.868 -0.063 0.000 0.941 618 T HN 0.102 nan 8.240 nan 0.000 0.457 619 T N 1.612 116.128 114.554 -0.063 0.000 2.724 619 T HA 0.829 5.179 4.350 0.000 0.000 0.274 619 T C -1.291 173.419 174.700 0.018 0.000 0.984 619 T CA -0.545 61.522 62.100 -0.055 0.000 1.024 619 T CB 1.247 70.051 68.868 -0.106 0.000 1.320 619 T HN 0.634 nan 8.240 nan 0.000 0.555 620 A N 0.771 123.618 122.820 0.045 0.000 2.374 620 A HA 0.764 5.084 4.320 0.000 0.000 0.317 620 A C -1.294 176.418 177.584 0.214 0.000 1.094 620 A CA -0.512 51.591 52.037 0.109 0.000 0.765 620 A CB 1.541 20.579 19.000 0.064 0.000 1.268 620 A HN 0.620 nan 8.150 nan 0.000 0.438 621 V N 2.096 122.166 119.914 0.261 0.000 2.378 621 V HA 0.469 4.589 4.120 0.000 0.000 0.288 621 V C 0.015 176.283 176.094 0.289 0.000 1.016 621 V CA -0.300 62.174 62.300 0.291 0.000 0.840 621 V CB 1.546 33.465 31.823 0.159 0.000 0.994 621 V HN 0.954 nan 8.190 nan 0.000 0.431 622 T N 4.446 119.114 114.554 0.190 0.000 2.875 622 T HA 0.596 4.946 4.350 0.000 0.000 0.284 622 T C -0.545 174.198 174.700 0.071 0.000 0.995 622 T CA -0.329 61.856 62.100 0.142 0.000 1.060 622 T CB 1.892 70.824 68.868 0.107 0.000 0.967 622 T HN 0.448 nan 8.240 nan 0.000 0.476 623 V N 4.141 124.149 119.914 0.157 0.000 2.709 623 V HA 0.520 4.640 4.120 0.000 0.000 0.308 623 V C -1.651 174.641 176.094 0.330 0.000 1.062 623 V CA -0.954 61.421 62.300 0.124 0.000 0.901 623 V CB 1.364 33.285 31.823 0.163 0.000 1.003 623 V HN 0.927 nan 8.190 nan 0.000 0.425 624 Y N 4.635 125.150 120.300 0.358 0.000 2.327 624 Y HA 0.652 5.203 4.550 0.000 0.000 0.336 624 Y C 0.629 176.710 175.900 0.301 0.000 1.035 624 Y CA -0.228 58.096 58.100 0.374 0.000 1.165 624 Y CB 1.891 40.569 38.460 0.364 0.000 1.181 624 Y HN 0.642 nan 8.280 nan 0.000 0.494 625 S N 1.806 117.801 115.700 0.490 0.000 2.541 625 S HA 0.284 4.754 4.470 0.000 0.000 0.271 625 S C -0.336 174.404 174.600 0.233 0.000 1.133 625 S CA -0.696 57.691 58.200 0.311 0.000 0.876 625 S CB 1.498 64.831 63.200 0.221 0.000 1.105 625 S HN 0.771 nan 8.310 nan 0.000 0.470 626 N N 2.013 120.771 118.700 0.097 0.000 2.317 626 N HA 0.268 5.008 4.740 0.000 0.000 0.199 626 N C 0.653 176.164 175.510 0.001 0.000 1.145 626 N CA 0.616 53.679 53.050 0.021 0.000 0.882 626 N CB 0.283 38.753 38.487 -0.028 0.000 1.113 626 N HN 0.812 nan 8.380 nan 0.000 0.486 627 I N -2.945 117.617 120.570 -0.013 0.000 3.376 627 I HA 0.586 4.756 4.170 0.000 0.000 0.326 627 I C 0.166 176.271 176.117 -0.019 0.000 1.538 627 I CA -0.619 60.647 61.300 -0.057 0.000 0.989 627 I CB 0.770 38.654 38.000 -0.194 0.000 1.413 627 I HN -0.051 nan 8.210 nan 0.000 0.547 628 G N 1.353 110.175 108.800 0.038 0.000 2.440 628 G HA2 -0.051 3.909 3.960 0.000 0.000 0.684 628 G HA3 -0.051 3.909 3.960 0.000 0.000 0.684 628 G C -0.476 174.398 174.900 -0.044 0.000 1.309 628 G CA -0.373 44.747 45.100 0.033 0.000 0.931 628 G HN 0.397 nan 8.290 nan 0.000 0.612 629 T N 2.023 116.521 114.554 -0.092 0.000 2.834 629 T HA 0.603 4.953 4.350 0.000 0.000 0.298 629 T C -1.505 173.002 174.700 -0.321 0.000 0.966 629 T CA -0.093 61.775 62.100 -0.388 0.000 1.141 629 T CB 0.702 69.478 68.868 -0.154 0.000 0.905 629 T HN 0.603 nan 8.240 nan 0.000 0.535 630 P HA 0.532 nan 4.420 nan 0.000 0.285 630 P C -1.228 176.017 177.300 -0.092 0.000 1.280 630 P CA -0.989 61.997 63.100 -0.190 0.000 0.862 630 P CB 1.167 32.769 31.700 -0.163 0.000 1.153 631 K N 0.234 120.609 120.400 -0.042 0.000 2.244 631 K HA 0.549 4.870 4.320 0.000 0.000 0.260 631 K C -0.957 175.522 176.600 -0.202 0.000 0.951 631 K CA -0.873 55.346 56.287 -0.113 0.000 0.826 631 K CB 1.700 34.127 32.500 -0.122 0.000 1.108 631 K HN 0.150 nan 8.250 nan 0.000 0.433 632 V N 3.774 123.443 119.914 -0.409 0.000 2.495 632 V HA 0.339 4.459 4.120 0.000 0.000 0.298 632 V C -1.217 174.467 176.094 -0.683 0.000 1.031 632 V CA -0.915 61.097 62.300 -0.480 0.000 0.871 632 V CB 0.873 32.357 31.823 -0.565 0.000 0.988 632 V HN 0.604 nan 8.190 nan 0.000 0.432 633 Y N 4.439 124.598 120.300 -0.235 0.000 2.334 633 Y HA 0.597 5.147 4.550 0.000 0.000 0.336 633 Y C -0.198 175.580 175.900 -0.203 0.000 0.960 633 Y CA -0.673 57.312 58.100 -0.192 0.000 1.164 633 Y CB 1.787 40.167 38.460 -0.133 0.000 1.155 633 Y HN 0.531 nan 8.280 nan 0.000 0.478 634 L N 5.403 126.575 121.223 -0.086 0.000 2.257 634 L HA 0.431 4.771 4.340 0.000 0.000 0.290 634 L C -0.034 176.816 176.870 -0.034 0.000 1.044 634 L CA -0.226 54.557 54.840 -0.095 0.000 0.810 634 L CB 0.140 42.125 42.059 -0.123 0.000 1.193 634 L HN 0.701 nan 8.230 nan 0.000 0.425 635 N N 4.485 123.165 118.700 -0.033 0.000 2.727 635 N HA -0.225 4.515 4.740 0.000 0.000 0.249 635 N C 0.982 176.489 175.510 -0.006 0.000 1.048 635 N CA 1.243 54.281 53.050 -0.019 0.000 0.714 635 N CB -1.262 37.219 38.487 -0.010 0.000 0.959 635 N HN 1.163 nan 8.380 nan 0.000 0.544 636 G N -1.403 107.402 108.800 0.008 0.000 2.241 636 G HA2 -0.331 3.630 3.960 0.000 0.000 0.244 636 G HA3 -0.331 3.630 3.960 0.000 0.000 0.244 636 G C -0.149 174.807 174.900 0.094 0.000 0.998 636 G CA 0.386 45.487 45.100 0.002 0.000 0.621 636 G HN 0.487 nan 8.290 nan 0.000 0.519 637 Q N 1.021 120.880 119.800 0.098 0.000 2.303 637 Q HA 0.397 4.737 4.340 0.000 0.000 0.257 637 Q C 0.160 176.205 176.000 0.075 0.000 0.941 637 Q CA -0.400 55.463 55.803 0.100 0.000 0.931 637 Q CB 1.492 30.241 28.738 0.020 0.000 1.215 637 Q HN 0.601 nan 8.270 nan 0.000 0.437 638 E N 3.499 123.745 120.200 0.077 0.000 2.415 638 E HA 0.031 4.381 4.350 0.000 0.000 0.263 638 E C -0.860 175.572 176.600 -0.279 0.000 0.995 638 E CA -0.071 56.114 56.400 -0.359 0.000 0.915 638 E CB 0.549 30.046 29.700 -0.340 0.000 0.951 638 E HN 0.447 nan 8.360 nan 0.000 0.449 639 L N 3.302 124.276 121.223 -0.416 0.000 2.439 639 L HA 0.341 4.681 4.340 0.000 0.000 0.259 639 L C 0.354 177.134 176.870 -0.151 0.000 1.129 639 L CA -0.404 54.236 54.840 -0.333 0.000 0.803 639 L CB 1.314 42.974 42.059 -0.667 0.000 1.161 639 L HN 0.692 nan 8.230 nan 0.000 0.462 640 S N -1.202 114.504 115.700 0.010 0.000 2.627 640 S HA 0.797 5.267 4.470 0.000 0.000 0.283 640 S C 0.183 174.903 174.600 0.201 0.000 1.127 640 S CA -0.055 58.213 58.200 0.113 0.000 0.863 640 S CB 1.979 65.200 63.200 0.035 0.000 1.121 640 S HN 1.071 nan 8.310 nan 0.000 0.479 641 G N -0.141 108.736 108.800 0.129 0.000 2.179 641 G HA2 -0.189 3.771 3.960 0.000 0.000 0.220 641 G HA3 -0.189 3.771 3.960 0.000 0.000 0.220 641 G C 0.020 174.879 174.900 -0.068 0.000 0.990 641 G CA -0.222 44.912 45.100 0.056 0.000 0.646 641 G HN 1.190 nan 8.290 nan 0.000 0.517 642 I N 1.716 122.193 120.570 -0.155 0.000 3.076 642 I HA 0.302 4.472 4.170 0.000 0.000 0.321 642 I C 0.779 176.721 176.117 -0.291 0.000 1.216 642 I CA 0.829 61.771 61.300 -0.596 0.000 1.460 642 I CB 0.207 37.946 38.000 -0.435 0.000 1.313 642 I HN 0.671 nan 8.210 nan 0.000 0.546 643 R N 4.377 124.690 120.500 -0.312 0.000 2.836 643 R HA 0.582 4.922 4.340 0.000 0.000 0.269 643 R C -0.994 175.185 176.300 -0.202 0.000 1.010 643 R CA -0.919 55.071 56.100 -0.184 0.000 0.930 643 R CB 0.399 30.602 30.300 -0.161 0.000 1.218 643 R HN 0.552 nan 8.270 nan 0.000 0.473 644 N N -0.695 117.887 118.700 -0.197 0.000 2.530 644 N HA 0.355 5.095 4.740 0.000 0.000 0.273 644 N C -0.010 175.265 175.510 -0.391 0.000 1.173 644 N CA 0.112 52.990 53.050 -0.287 0.000 0.967 644 N CB 1.309 39.670 38.487 -0.210 0.000 1.109 644 N HN 0.727 nan 8.380 nan 0.000 0.453 645 G N 0.250 108.723 108.800 -0.544 0.000 2.829 645 G HA2 0.054 4.014 3.960 0.000 0.000 0.173 645 G HA3 0.054 4.014 3.960 0.000 0.000 0.173 645 G C 0.006 174.713 174.900 -0.321 0.000 1.476 645 G CA -0.126 44.503 45.100 -0.786 0.000 1.072 645 G HN 0.666 nan 8.290 nan 0.000 0.577 646 Y N 0.311 120.802 120.300 0.318 0.000 2.475 646 Y HA 0.168 4.718 4.550 0.000 0.000 0.289 646 Y C 1.881 177.881 175.900 0.166 0.000 1.121 646 Y CA 0.834 59.064 58.100 0.216 0.000 1.257 646 Y CB 0.195 38.788 38.460 0.221 0.000 1.026 646 Y HN 0.442 nan 8.280 nan 0.000 0.555 647 T N -3.554 111.218 114.554 0.363 0.000 2.887 647 T HA 0.173 4.523 4.350 0.000 0.000 0.292 647 T C 0.233 174.956 174.700 0.038 0.000 1.087 647 T CA -0.546 61.656 62.100 0.170 0.000 1.009 647 T CB 1.748 70.698 68.868 0.137 0.000 1.203 647 T HN 0.110 nan 8.240 nan 0.000 0.518 648 D N 0.016 120.398 120.400 -0.029 0.000 2.392 648 D HA -0.022 4.618 4.640 0.000 0.000 0.228 648 D C 1.128 177.340 176.300 -0.147 0.000 1.003 648 D CA 0.169 54.112 54.000 -0.095 0.000 0.917 648 D CB -0.257 40.519 40.800 -0.040 0.000 0.890 648 D HN 0.287 nan 8.370 nan 0.000 0.532 649 V N -0.783 119.068 119.914 -0.105 0.000 3.528 649 V HA 0.064 4.185 4.120 0.000 0.000 0.294 649 V C -0.060 176.081 176.094 0.077 0.000 1.404 649 V CA -0.353 61.925 62.300 -0.036 0.000 1.065 649 V CB -0.540 31.217 31.823 -0.111 0.000 0.904 649 V HN 0.392 nan 8.190 nan 0.000 0.435 650 H N -0.067 118.916 119.070 -0.146 0.000 2.541 650 H HA 0.460 5.016 4.556 0.000 0.000 0.316 650 H C -1.469 173.679 175.328 -0.301 0.000 1.043 650 H CA -0.507 55.591 56.048 0.083 0.000 1.232 650 H CB 0.806 30.746 29.762 0.296 0.000 1.406 650 H HN 0.292 nan 8.280 nan 0.000 0.469 651 Y N 3.479 123.890 120.300 0.185 0.000 2.409 651 Y HA 0.407 4.957 4.550 0.000 0.000 0.343 651 Y C -0.598 175.182 175.900 -0.200 0.000 0.973 651 Y CA -0.843 57.193 58.100 -0.108 0.000 1.064 651 Y CB 2.097 40.509 38.460 -0.080 0.000 1.207 651 Y HN 0.286 nan 8.280 nan 0.000 0.452 652 V N 3.483 123.255 119.914 -0.237 0.000 2.789 652 V HA 0.445 4.565 4.120 0.000 0.000 0.311 652 V C -1.106 174.749 176.094 -0.399 0.000 1.073 652 V CA -1.277 60.889 62.300 -0.223 0.000 0.921 652 V CB 1.923 33.611 31.823 -0.226 0.000 1.009 652 V HN 0.494 nan 8.190 nan 0.000 0.426 653 F N 2.032 121.976 119.950 -0.010 0.000 2.411 653 F HA 0.502 5.029 4.527 0.000 0.000 0.352 653 F C 0.465 176.256 175.800 -0.016 0.000 1.123 653 F CA -0.554 57.434 58.000 -0.019 0.000 1.044 653 F CB 1.152 40.137 39.000 -0.025 0.000 1.135 653 F HN 0.426 nan 8.300 nan 0.000 0.461 654 D N 2.357 122.823 120.400 0.110 0.000 2.225 654 D HA 0.166 4.806 4.640 0.000 0.000 0.249 654 D C -0.153 176.185 176.300 0.064 0.000 1.052 654 D CA -0.311 53.724 54.000 0.058 0.000 0.909 654 D CB 0.948 41.752 40.800 0.008 0.000 1.186 654 D HN 0.597 nan 8.370 nan 0.000 0.431 655 N N -0.414 118.307 118.700 0.036 0.000 2.708 655 N HA -0.151 4.589 4.740 0.000 0.000 0.255 655 N C -0.920 174.603 175.510 0.021 0.000 1.046 655 N CA -0.022 53.038 53.050 0.017 0.000 0.715 655 N CB -0.803 37.690 38.487 0.010 0.000 0.895 655 N HN 0.103 nan 8.380 nan 0.000 0.545 656 V N 0.118 120.050 119.914 0.029 0.000 2.509 656 V HA 0.397 4.517 4.120 0.000 0.000 0.284 656 V C 0.758 176.843 176.094 -0.015 0.000 1.047 656 V CA -0.376 61.933 62.300 0.014 0.000 0.952 656 V CB 1.882 33.730 31.823 0.041 0.000 0.988 656 V HN 0.281 nan 8.190 nan 0.000 0.469 657 S N 5.138 120.818 115.700 -0.034 0.000 2.442 657 S HA 0.642 5.112 4.470 0.000 0.000 0.297 657 S C -0.331 174.230 174.600 -0.065 0.000 1.131 657 S CA -0.500 57.660 58.200 -0.067 0.000 1.092 657 S CB 0.646 63.812 63.200 -0.055 0.000 0.998 657 S HN 0.497 nan 8.310 nan 0.000 0.478 658 L N 2.767 123.916 121.223 -0.122 0.000 2.334 658 L HA 0.602 4.942 4.340 0.000 0.000 0.277 658 L C 0.683 177.522 176.870 -0.051 0.000 1.075 658 L CA -0.875 53.923 54.840 -0.069 0.000 0.804 658 L CB 0.815 42.829 42.059 -0.075 0.000 1.174 658 L HN 0.625 nan 8.230 nan 0.000 0.438 659 A N 1.623 124.459 122.820 0.027 0.000 2.386 659 A HA 0.167 4.487 4.320 0.000 0.000 0.248 659 A C -0.191 177.478 177.584 0.142 0.000 1.082 659 A CA -0.567 51.506 52.037 0.059 0.000 0.789 659 A CB 0.076 19.106 19.000 0.050 0.000 1.025 659 A HN 0.723 nan 8.150 nan 0.000 0.490 660 D N 0.575 121.070 120.400 0.160 0.000 2.488 660 D HA 0.380 5.020 4.640 0.000 0.000 0.238 660 D C 1.251 177.635 176.300 0.139 0.000 1.138 660 D CA 2.113 56.232 54.000 0.198 0.000 0.873 660 D CB 0.685 41.561 40.800 0.126 0.000 1.183 660 D HN 1.086 nan 8.370 nan 0.000 0.458 661 G N 2.712 111.591 108.800 0.131 0.000 2.596 661 G HA2 -0.284 3.676 3.960 0.000 0.000 0.258 661 G HA3 -0.284 3.676 3.960 0.000 0.000 0.258 661 G C -0.036 174.932 174.900 0.113 0.000 1.207 661 G CA 0.191 45.344 45.100 0.090 0.000 0.954 661 G HN 0.614 nan 8.290 nan 0.000 0.551 662 K N 1.340 121.793 120.400 0.088 0.000 2.213 662 K HA 0.600 4.920 4.320 0.000 0.000 0.270 662 K C -0.938 175.711 176.600 0.081 0.000 1.002 662 K CA -0.321 56.017 56.287 0.085 0.000 0.868 662 K CB 0.481 33.012 32.500 0.052 0.000 1.093 662 K HN 0.477 nan 8.250 nan 0.000 0.454 663 N N 3.915 122.677 118.700 0.102 0.000 2.483 663 N HA 0.299 5.039 4.740 0.000 0.000 0.267 663 N C -1.452 174.048 175.510 -0.015 0.000 0.998 663 N CA -0.566 52.526 53.050 0.069 0.000 0.918 663 N CB 0.957 39.536 38.487 0.152 0.000 1.215 663 N HN 0.330 nan 8.380 nan 0.000 0.500 664 I N 2.517 123.051 120.570 -0.059 0.000 2.325 664 I HA 0.268 4.438 4.170 0.000 0.000 0.291 664 I C -0.312 175.696 176.117 -0.182 0.000 1.019 664 I CA -0.572 60.656 61.300 -0.120 0.000 1.302 664 I CB 0.597 38.547 38.000 -0.082 0.000 1.401 664 I HN 0.392 nan 8.210 nan 0.000 0.485 665 L N 7.045 128.084 121.223 -0.307 0.000 2.272 665 L HA 0.489 4.830 4.340 0.000 0.000 0.289 665 L C -0.014 176.711 176.870 -0.241 0.000 1.032 665 L CA -0.556 54.081 54.840 -0.337 0.000 0.810 665 L CB 1.072 42.780 42.059 -0.585 0.000 1.205 665 L HN 0.526 nan 8.230 nan 0.000 0.422 666 K N 3.020 123.340 120.400 -0.132 0.000 2.371 666 K HA 0.845 5.165 4.320 0.000 0.000 0.251 666 K C -1.376 175.230 176.600 0.011 0.000 0.934 666 K CA -0.471 55.781 56.287 -0.058 0.000 0.798 666 K CB 2.126 34.613 32.500 -0.023 0.000 1.204 666 K HN 0.598 nan 8.250 nan 0.000 0.427 667 A N 2.963 125.782 122.820 -0.002 0.000 2.371 667 A HA 0.710 5.030 4.320 0.000 0.000 0.311 667 A C -1.420 176.205 177.584 0.068 0.000 1.068 667 A CA -0.669 51.381 52.037 0.021 0.000 0.744 667 A CB 1.515 20.501 19.000 -0.023 0.000 1.239 667 A HN 0.410 nan 8.150 nan 0.000 0.435 668 V N 1.782 121.755 119.914 0.098 0.000 2.841 668 V HA 0.760 4.880 4.120 0.000 0.000 0.310 668 V C -0.773 175.378 176.094 0.095 0.000 1.090 668 V CA -0.525 61.843 62.300 0.113 0.000 0.930 668 V CB 1.929 33.842 31.823 0.149 0.000 1.014 668 V HN 0.899 nan 8.190 nan 0.000 0.425 669 V N 1.653 121.641 119.914 0.124 0.000 2.924 669 V HA 0.551 4.671 4.120 0.000 0.000 0.300 669 V C -0.453 175.760 176.094 0.198 0.000 1.227 669 V CA -0.566 61.799 62.300 0.108 0.000 0.954 669 V CB 2.234 34.088 31.823 0.051 0.000 1.055 669 V HN 0.880 nan 8.190 nan 0.000 0.429 670 S N 1.341 117.130 115.700 0.148 0.000 2.638 670 S HA 0.766 5.236 4.470 0.000 0.000 0.298 670 S C 0.361 175.057 174.600 0.159 0.000 1.111 670 S CA -0.106 58.204 58.200 0.183 0.000 1.027 670 S CB 2.387 65.650 63.200 0.105 0.000 1.064 670 S HN 0.923 nan 8.310 nan 0.000 0.525 671 T N 0.046 114.720 114.554 0.200 0.000 3.449 671 T HA 0.274 4.624 4.350 0.000 0.000 0.268 671 T C 0.557 175.318 174.700 0.101 0.000 0.996 671 T CA 0.605 62.780 62.100 0.124 0.000 1.125 671 T CB -0.274 68.646 68.868 0.086 0.000 1.172 671 T HN 0.621 nan 8.240 nan 0.000 0.430 672 K N 0.936 121.411 120.400 0.125 0.000 3.045 672 K HA 0.626 4.946 4.320 0.000 0.000 0.214 672 K C 0.856 177.497 176.600 0.069 0.000 1.213 672 K CA 0.099 56.435 56.287 0.082 0.000 1.111 672 K CB -0.628 31.919 32.500 0.078 0.000 1.454 672 K HN 0.932 nan 8.250 nan 0.000 0.498 673 G N -0.362 108.477 108.800 0.065 0.000 2.341 673 G HA2 0.059 4.019 3.960 0.000 0.000 0.292 673 G HA3 0.059 4.019 3.960 0.000 0.000 0.292 673 G C 0.270 175.193 174.900 0.039 0.000 1.021 673 G CA 0.919 46.047 45.100 0.047 0.000 0.905 673 G HN 1.471 nan 8.290 nan 0.000 0.508 674 K N -0.214 120.225 120.400 0.065 0.000 2.378 674 K HA 0.865 5.186 4.320 0.000 0.000 0.252 674 K C -0.188 176.411 176.600 -0.001 0.000 0.931 674 K CA -0.063 56.220 56.287 -0.007 0.000 0.794 674 K CB 1.597 34.072 32.500 -0.042 0.000 1.181 674 K HN 0.789 nan 8.250 nan 0.000 0.425 675 E N 1.419 121.547 120.200 -0.120 0.000 2.204 675 E HA 0.600 4.950 4.350 0.000 0.000 0.276 675 E C -1.243 175.226 176.600 -0.220 0.000 0.974 675 E CA -0.526 55.850 56.400 -0.040 0.000 0.815 675 E CB 0.839 30.528 29.700 -0.018 0.000 1.119 675 E HN 0.583 nan 8.360 nan 0.000 0.393 676 Y N 1.353 121.666 120.300 0.022 0.000 2.509 676 Y HA 0.475 5.026 4.550 0.000 0.000 0.341 676 Y C 0.094 176.006 175.900 0.020 0.000 1.038 676 Y CA -0.816 57.300 58.100 0.026 0.000 1.089 676 Y CB 2.709 41.193 38.460 0.040 0.000 1.241 676 Y HN 0.405 nan 8.280 nan 0.000 0.468 677 T N 1.377 116.024 114.554 0.154 0.000 2.916 677 T HA 0.396 4.746 4.350 0.000 0.000 0.305 677 T C -2.011 172.720 174.700 0.051 0.000 1.119 677 T CA -0.727 61.414 62.100 0.069 0.000 1.008 677 T CB 1.936 70.814 68.868 0.016 0.000 1.129 677 T HN 0.594 nan 8.240 nan 0.000 0.480 678 D N 1.079 121.481 120.400 0.003 0.000 2.837 678 D HA 0.469 5.109 4.640 0.000 0.000 0.220 678 D C -1.414 174.827 176.300 -0.097 0.000 1.236 678 D CA -0.398 53.572 54.000 -0.051 0.000 0.838 678 D CB 1.871 42.625 40.800 -0.076 0.000 1.647 678 D HN 0.520 nan 8.370 nan 0.000 0.486 679 E N 3.050 123.177 120.200 -0.122 0.000 2.292 679 E HA 0.646 4.996 4.350 0.000 0.000 0.272 679 E C -1.000 175.490 176.600 -0.184 0.000 0.881 679 E CA -0.756 55.557 56.400 -0.146 0.000 0.754 679 E CB 1.277 30.916 29.700 -0.103 0.000 1.201 679 E HN 0.524 nan 8.360 nan 0.000 0.425 680 I N -0.029 120.388 120.570 -0.255 0.000 3.264 680 I HA 0.684 4.854 4.170 0.000 0.000 0.315 680 I C -1.274 174.659 176.117 -0.306 0.000 1.154 680 I CA -0.989 60.147 61.300 -0.274 0.000 0.962 680 I CB 2.281 40.064 38.000 -0.361 0.000 1.265 680 I HN 0.595 nan 8.210 nan 0.000 0.463 681 E N 2.310 122.377 120.200 -0.221 0.000 2.281 681 E HA 0.373 4.723 4.350 0.000 0.000 0.266 681 E C -2.330 174.330 176.600 0.100 0.000 0.893 681 E CA -0.571 55.765 56.400 -0.107 0.000 0.798 681 E CB 1.297 30.981 29.700 -0.027 0.000 1.245 681 E HN 0.565 nan 8.360 nan 0.000 0.410 682 W N 2.418 123.720 121.300 0.003 0.000 2.639 682 W HA 0.499 5.159 4.660 0.000 0.000 0.347 682 W C -0.232 176.314 176.519 0.045 0.000 1.067 682 W CA -1.035 56.325 57.345 0.024 0.000 1.218 682 W CB 1.478 30.952 29.460 0.024 0.000 1.393 682 W HN 0.442 nan 8.180 nan 0.000 0.557 683 N N 1.951 120.825 118.700 0.290 0.000 2.354 683 N HA 0.203 4.943 4.740 0.000 0.000 0.287 683 N C -1.929 173.697 175.510 0.194 0.000 1.016 683 N CA -0.577 52.589 53.050 0.192 0.000 0.871 683 N CB 2.729 41.286 38.487 0.116 0.000 1.299 683 N HN 0.372 nan 8.380 nan 0.000 0.482 684 Y N 1.443 121.783 120.300 0.067 0.000 2.331 684 Y HA 0.334 4.884 4.550 0.000 0.000 0.334 684 Y C -0.298 175.621 175.900 0.032 0.000 0.960 684 Y CA -0.769 57.354 58.100 0.039 0.000 1.130 684 Y CB 1.099 39.585 38.460 0.044 0.000 1.164 684 Y HN 0.530 nan 8.280 nan 0.000 0.458 685 S N 3.824 119.093 115.700 -0.719 0.000 2.569 685 S HA 0.681 5.151 4.470 0.000 0.000 0.215 685 S C -0.115 174.103 174.600 -0.637 0.000 1.096 685 S CA -0.103 57.780 58.200 -0.528 0.000 1.183 685 S CB -0.139 62.932 63.200 -0.215 0.000 1.324 685 S HN 1.753 nan 8.310 nan 0.000 0.421 686 G N 1.039 109.107 108.800 -1.220 0.000 2.515 686 G HA2 0.067 4.027 3.960 0.000 0.000 0.686 686 G HA3 0.067 4.027 3.960 0.000 0.000 0.686 686 G C -1.251 173.476 174.900 -0.288 0.000 1.274 686 G CA -1.099 43.689 45.100 -0.520 0.000 0.874 686 G HN 0.311 nan 8.290 nan 0.000 0.631 687 E N 1.163 121.376 120.200 0.022 0.000 2.384 687 E HA 0.360 4.710 4.350 0.000 0.000 0.266 687 E C 0.659 177.283 176.600 0.041 0.000 1.012 687 E CA 0.320 56.790 56.400 0.117 0.000 0.901 687 E CB 1.229 31.003 29.700 0.124 0.000 0.967 687 E HN 0.717 nan 8.360 nan 0.000 0.435 688 K N 1.667 122.113 120.400 0.077 0.000 2.499 688 K HA 0.469 4.789 4.320 0.000 0.000 0.277 688 K C -0.663 175.973 176.600 0.060 0.000 1.025 688 K CA -0.962 55.343 56.287 0.030 0.000 0.900 688 K CB 1.451 33.949 32.500 -0.004 0.000 1.494 688 K HN 0.222 nan 8.250 nan 0.000 0.442 689 N N 0.856 119.526 118.700 -0.050 0.000 2.621 689 N HA 0.214 4.954 4.740 0.000 0.000 0.271 689 N C -0.397 175.033 175.510 -0.133 0.000 1.181 689 N CA -0.209 52.746 53.050 -0.159 0.000 0.805 689 N CB 1.256 39.432 38.487 -0.519 0.000 1.351 689 N HN 0.641 nan 8.380 nan 0.000 0.539 690 R N 0.568 121.052 120.500 -0.026 0.000 2.328 690 R HA 0.009 4.349 4.340 0.000 0.000 0.207 690 R C 1.189 177.332 176.300 -0.263 0.000 1.056 690 R CA 0.638 56.676 56.100 -0.105 0.000 1.016 690 R CB 0.432 30.749 30.300 0.027 0.000 0.872 690 R HN 0.555 nan 8.270 nan 0.000 0.471 691 E N 0.820 120.935 120.200 -0.142 0.000 2.102 691 E HA -0.011 4.339 4.350 0.000 0.000 0.190 691 E C 1.668 178.136 176.600 -0.221 0.000 0.971 691 E CA 0.526 56.846 56.400 -0.134 0.000 0.821 691 E CB 0.224 29.978 29.700 0.089 0.000 0.777 691 E HN 0.277 nan 8.360 nan 0.000 0.460 692 I N 1.801 122.223 120.570 -0.247 0.000 3.083 692 I HA -0.185 3.985 4.170 0.000 0.000 0.273 692 I C 0.745 176.736 176.117 -0.209 0.000 1.297 692 I CA 0.668 61.838 61.300 -0.217 0.000 1.452 692 I CB -0.061 37.803 38.000 -0.227 0.000 1.078 692 I HN -0.121 nan 8.210 nan 0.000 0.484 693 D N 0.383 120.628 120.400 -0.257 0.000 2.328 693 D HA 0.077 4.717 4.640 0.000 0.000 0.226 693 D C 0.616 176.743 176.300 -0.288 0.000 1.066 693 D CA 0.310 54.157 54.000 -0.254 0.000 0.861 693 D CB 0.273 40.917 40.800 -0.261 0.000 0.912 693 D HN 0.202 nan 8.370 nan 0.000 0.521 694 S N 0.000 115.521 115.700 -0.298 0.000 2.498 694 S HA 0.000 4.470 4.470 0.000 0.000 0.327 694 S CA 0.000 58.041 58.200 -0.265 0.000 1.107 694 S CB 0.000 63.003 63.200 -0.328 0.000 0.593 694 S HN 0.000 nan 8.310 nan 0.000 0.517