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 1b4n_1_D DATA FIRST_RESID 1 DATA SEQUENCE MYGWWGRILR VNLTTGEVKV QEYPEEVAKK FIGGRGLAAW ILWNEARGVE DATA SEQUENCE PLSPENKLIF AAGPFNGLPT PSGGKLVVAA KSPLTGGYGD GNLGTMASVH DATA SEQUENCE LRRAGYDALV VEGKAKKPVY IYIEDDNVSI LSAEGLWGKT TFETERELKE DATA SEQUENCE IHGKNVGVLT IGPAGENLVK YAVVISQEGR AAGRPGMGAV MGSKKLKAVV DATA SEQUENCE IRGTKEIPVA DKEELKKLSQ EAYNEILNSP GYPFWKRQGT MAAVEWCNTN DATA SEQUENCE YALPTRNFSD GYFEFARSID GYTMEGMKVQ QRGCPYCNMP CGNVVLDAEG DATA SEQUENCE QESELDYENV ALLGSNLGIG KLNEVSVLNR IADEMGMDTI SLGVSIAHVM DATA SEQUENCE EAVERGILKE GPTFGDFKGA KQLALDIAYR KGELGNLAAE GVKAMAEKLG DATA SEQUENCE THDFAMHVKG LEVSGYNCYI YPAMALAYGT SAIGAHHKEA WVIAWEIGTA DATA SEQUENCE PIEXXXXXXX XYKISYDPIK AQKVVELQRL RGGLFEMLTA CRLPWVEVGL DATA SEQUENCE SLDYYPKLLK AITGVTYTWD DLYKAADRVY SLIRAYWVRE FNGKWDRKMD DATA SEQUENCE YPPKRWFTEG LKSGPHKGEH LDEKKYDELL SEYYRIRGWD ERGIPKKETL DATA SEQUENCE KELDLDFVIP ELEKVTNLE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.135 176.300 -0.276 0.000 1.140 1 M CA 0.000 55.195 55.300 -0.175 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.029 0.000 1.302 2 Y N 2.471 122.793 120.300 0.036 0.000 2.534 2 Y HA 0.824 5.373 4.550 -0.000 0.000 0.329 2 Y C 1.197 177.000 175.900 -0.161 0.000 1.154 2 Y CA 0.901 58.946 58.100 -0.093 0.000 1.192 2 Y CB 1.711 40.109 38.460 -0.104 0.000 1.275 2 Y HN 0.967 nan 8.280 nan 0.000 0.491 3 G N -0.137 108.585 108.800 -0.131 0.000 5.306 3 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.318 3 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.318 3 G C 0.084 174.780 174.900 -0.340 0.000 1.413 3 G CA 0.069 44.956 45.100 -0.354 0.000 0.981 3 G HN 0.584 nan 8.290 nan 0.000 0.788 4 W N 0.417 121.646 121.300 -0.119 0.000 2.112 4 W HA 0.488 5.148 4.660 -0.000 0.000 0.349 4 W C 1.107 177.509 176.519 -0.194 0.000 1.289 4 W CA -0.015 57.282 57.345 -0.080 0.000 1.256 4 W CB -0.048 29.423 29.460 0.019 0.000 1.148 4 W HN 0.489 nan 8.180 nan 0.000 0.590 5 W N -0.609 120.857 121.300 0.277 0.000 2.762 5 W HA 0.186 4.845 4.660 -0.000 0.000 0.265 5 W C 1.804 178.342 176.519 0.032 0.000 1.263 5 W CA 0.680 58.101 57.345 0.126 0.000 1.411 5 W CB 0.038 29.568 29.460 0.117 0.000 1.065 5 W HN 0.673 nan 8.180 nan 0.000 0.609 6 G N 1.518 110.424 108.800 0.176 0.000 2.160 6 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.251 6 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.251 6 G C -0.027 174.798 174.900 -0.124 0.000 1.008 6 G CA -0.267 44.583 45.100 -0.417 0.000 0.724 6 G HN 0.228 nan 8.290 nan 0.000 0.514 7 R N -0.770 119.929 120.500 0.333 0.000 2.561 7 R HA 0.672 5.012 4.340 -0.000 0.000 0.297 7 R C -0.560 176.060 176.300 0.534 0.000 0.969 7 R CA -0.852 55.484 56.100 0.394 0.000 0.879 7 R CB 1.776 32.235 30.300 0.265 0.000 1.178 7 R HN 0.214 nan 8.270 nan 0.000 0.445 8 I N 3.776 124.619 120.570 0.455 0.000 2.410 8 I HA 0.192 4.361 4.170 -0.000 0.000 0.286 8 I C -0.532 175.699 176.117 0.190 0.000 1.009 8 I CA -1.066 60.433 61.300 0.331 0.000 1.111 8 I CB 1.888 40.041 38.000 0.256 0.000 1.262 8 I HN 0.306 nan 8.210 nan 0.000 0.443 9 L N 7.920 129.171 121.223 0.047 0.000 2.367 9 L HA 0.402 4.742 4.340 -0.000 0.000 0.275 9 L C -0.307 176.510 176.870 -0.088 0.000 1.129 9 L CA 0.358 55.079 54.840 -0.199 0.000 0.839 9 L CB 0.053 41.644 42.059 -0.779 0.000 1.133 9 L HN 0.460 nan 8.230 nan 0.000 0.453 10 R N 4.877 125.341 120.500 -0.060 0.000 2.514 10 R HA 0.673 5.013 4.340 -0.000 0.000 0.301 10 R C -1.444 174.833 176.300 -0.038 0.000 0.962 10 R CA -0.792 55.292 56.100 -0.027 0.000 0.882 10 R CB 1.702 32.001 30.300 -0.003 0.000 1.143 10 R HN 0.484 nan 8.270 nan 0.000 0.452 11 V N 2.869 122.771 119.914 -0.021 0.000 2.482 11 V HA 0.259 4.379 4.120 -0.000 0.000 0.295 11 V C -0.259 175.831 176.094 -0.007 0.000 1.026 11 V CA -1.023 61.265 62.300 -0.019 0.000 0.856 11 V CB 1.924 33.736 31.823 -0.018 0.000 1.001 11 V HN 0.605 nan 8.190 nan 0.000 0.424 12 N N 4.265 122.956 118.700 -0.013 0.000 2.457 12 N HA 0.395 5.134 4.740 -0.000 0.000 0.250 12 N C 0.579 176.081 175.510 -0.014 0.000 0.982 12 N CA -0.358 52.685 53.050 -0.013 0.000 0.941 12 N CB 1.729 40.206 38.487 -0.017 0.000 1.120 12 N HN 0.680 nan 8.380 nan 0.000 0.505 13 L N 2.009 123.227 121.223 -0.009 0.000 2.395 13 L HA -0.011 4.328 4.340 -0.000 0.000 0.218 13 L C 1.677 178.535 176.870 -0.020 0.000 1.130 13 L CA 0.699 55.532 54.840 -0.012 0.000 0.826 13 L CB -0.051 42.008 42.059 -0.000 0.000 0.941 13 L HN 0.472 nan 8.230 nan 0.000 0.451 14 T N -1.484 113.057 114.554 -0.020 0.000 2.894 14 T HA -0.109 4.240 4.350 -0.000 0.000 0.258 14 T C 1.919 176.604 174.700 -0.025 0.000 1.043 14 T CA 1.804 63.890 62.100 -0.024 0.000 1.141 14 T CB -0.078 68.776 68.868 -0.024 0.000 0.873 14 T HN 0.465 nan 8.240 nan 0.000 0.449 15 T N -1.451 113.089 114.554 -0.023 0.000 3.044 15 T HA 0.404 4.753 4.350 -0.000 0.000 0.250 15 T C 1.862 176.548 174.700 -0.023 0.000 1.081 15 T CA 0.902 62.989 62.100 -0.022 0.000 1.040 15 T CB 0.018 68.874 68.868 -0.020 0.000 0.962 15 T HN 0.490 nan 8.240 nan 0.000 0.506 16 G N 1.305 110.090 108.800 -0.025 0.000 2.179 16 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 16 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 16 G C -0.156 174.728 174.900 -0.025 0.000 0.977 16 G CA 0.283 45.367 45.100 -0.028 0.000 0.641 16 G HN 0.818 nan 8.290 nan 0.000 0.533 17 E N 0.371 120.558 120.200 -0.022 0.000 2.324 17 E HA 0.439 4.789 4.350 -0.000 0.000 0.271 17 E C -0.344 176.244 176.600 -0.021 0.000 1.028 17 E CA -0.303 56.086 56.400 -0.019 0.000 0.890 17 E CB 0.778 30.469 29.700 -0.015 0.000 1.004 17 E HN 0.154 nan 8.360 nan 0.000 0.431 18 V N 5.856 125.757 119.914 -0.021 0.000 2.531 18 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 18 V C -0.357 175.726 176.094 -0.018 0.000 1.034 18 V CA -0.609 61.674 62.300 -0.028 0.000 0.865 18 V CB 1.523 33.324 31.823 -0.037 0.000 0.995 18 V HN 0.743 nan 8.190 nan 0.000 0.424 19 K N 3.109 123.499 120.400 -0.016 0.000 2.367 19 K HA 0.890 5.210 4.320 -0.000 0.000 0.272 19 K C -1.823 174.787 176.600 0.016 0.000 1.046 19 K CA -1.021 55.270 56.287 0.006 0.000 0.895 19 K CB 2.400 34.909 32.500 0.014 0.000 1.512 19 K HN 0.160 nan 8.250 nan 0.000 0.433 20 V N 1.699 121.646 119.914 0.054 0.000 2.376 20 V HA 0.241 4.361 4.120 -0.000 0.000 0.287 20 V C -0.755 175.407 176.094 0.113 0.000 1.015 20 V CA -0.626 61.734 62.300 0.100 0.000 0.834 20 V CB 1.132 33.047 31.823 0.152 0.000 1.001 20 V HN 0.738 nan 8.190 nan 0.000 0.428 21 Q N 4.592 124.473 119.800 0.135 0.000 2.267 21 Q HA 0.342 4.682 4.340 -0.000 0.000 0.255 21 Q C -0.599 175.536 176.000 0.225 0.000 0.923 21 Q CA -0.376 55.522 55.803 0.157 0.000 0.925 21 Q CB 1.163 29.992 28.738 0.152 0.000 1.195 21 Q HN 0.748 nan 8.270 nan 0.000 0.417 22 E N 4.382 124.693 120.200 0.185 0.000 2.146 22 E HA 0.185 4.535 4.350 -0.000 0.000 0.282 22 E C -1.135 175.598 176.600 0.222 0.000 0.989 22 E CA -0.525 55.972 56.400 0.162 0.000 0.799 22 E CB 0.655 30.402 29.700 0.078 0.000 1.088 22 E HN 0.520 nan 8.360 nan 0.000 0.397 23 Y N 0.397 120.775 120.300 0.131 0.000 2.496 23 Y HA 0.599 5.149 4.550 -0.000 0.000 0.331 23 Y C -2.591 173.316 175.900 0.012 0.000 1.140 23 Y CA -3.733 54.448 58.100 0.134 0.000 1.166 23 Y CB -0.335 38.252 38.460 0.212 0.000 1.249 23 Y HN 0.264 nan 8.280 nan 0.000 0.479 24 P HA -0.006 nan 4.420 nan 0.000 0.266 24 P C 0.407 177.553 177.300 -0.257 0.000 1.195 24 P CA 0.124 63.164 63.100 -0.100 0.000 0.768 24 P CB 0.825 32.497 31.700 -0.047 0.000 0.838 25 E N 2.567 122.608 120.200 -0.264 0.000 2.204 25 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 25 E C 1.189 177.567 176.600 -0.369 0.000 0.990 25 E CA 0.988 57.185 56.400 -0.337 0.000 0.821 25 E CB 0.094 29.659 29.700 -0.225 0.000 0.750 25 E HN 0.463 nan 8.360 nan 0.000 0.477 26 E N 0.149 120.192 120.200 -0.262 0.000 2.478 26 E HA -0.041 4.309 4.350 -0.000 0.000 0.194 26 E C 1.888 178.333 176.600 -0.258 0.000 1.045 26 E CA 0.257 56.509 56.400 -0.246 0.000 0.868 26 E CB 0.229 29.830 29.700 -0.166 0.000 0.885 26 E HN 0.210 nan 8.360 nan 0.000 0.505 27 V N 1.266 121.022 119.914 -0.263 0.000 2.951 27 V HA -0.014 4.105 4.120 -0.000 0.000 0.255 27 V C 2.318 178.287 176.094 -0.209 0.000 1.088 27 V CA 1.384 63.511 62.300 -0.287 0.000 1.109 27 V CB -0.151 31.340 31.823 -0.554 0.000 0.724 27 V HN 0.401 nan 8.190 nan 0.000 0.471 28 A N -0.540 122.081 122.820 -0.332 0.000 1.930 28 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 28 A C 2.259 179.464 177.584 -0.631 0.000 1.176 28 A CA 1.196 52.874 52.037 -0.597 0.000 0.632 28 A CB -0.237 17.960 19.000 -1.338 0.000 0.819 28 A HN 0.457 nan 8.150 nan 0.000 0.445 29 K N -0.335 119.727 120.400 -0.564 0.000 2.155 29 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 29 K C 2.042 178.637 176.600 -0.007 0.000 1.052 29 K CA 1.042 57.239 56.287 -0.150 0.000 0.948 29 K CB -0.071 32.318 32.500 -0.186 0.000 0.728 29 K HN 0.308 nan 8.250 nan 0.000 0.448 30 K N -0.170 120.116 120.400 -0.190 0.000 2.062 30 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 30 K C 1.339 177.626 176.600 -0.523 0.000 1.051 30 K CA 1.200 57.264 56.287 -0.372 0.000 0.941 30 K CB 0.153 32.333 32.500 -0.532 0.000 0.719 30 K HN 0.039 nan 8.250 nan 0.000 0.440 31 F N -0.047 119.868 119.950 -0.058 0.000 2.704 31 F HA 0.251 4.778 4.527 -0.000 0.000 0.304 31 F C 1.288 177.124 175.800 0.060 0.000 1.094 31 F CA -0.121 57.872 58.000 -0.012 0.000 1.275 31 F CB 0.205 39.158 39.000 -0.079 0.000 1.073 31 F HN -0.074 nan 8.300 nan 0.000 0.586 32 I N -0.875 119.845 120.570 0.250 0.000 4.352 32 I HA -0.417 3.752 4.170 -0.000 0.000 0.074 32 I C 1.092 177.481 176.117 0.453 0.000 0.580 32 I CA 1.522 63.044 61.300 0.371 0.000 1.060 32 I CB -1.536 36.542 38.000 0.130 0.000 0.947 32 I HN 0.334 nan 8.210 nan 0.000 0.174 33 G N -1.408 107.569 108.800 0.295 0.000 2.345 33 G HA2 0.517 4.477 3.960 -0.000 0.000 0.285 33 G HA3 0.517 4.477 3.960 -0.000 0.000 0.285 33 G C 0.139 175.155 174.900 0.193 0.000 1.297 33 G CA 0.183 45.448 45.100 0.275 0.000 0.875 33 G HN 1.516 nan 8.290 nan 0.000 0.506 34 G N 0.109 109.020 108.800 0.186 0.000 2.661 34 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.327 34 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.327 34 G C 1.552 176.543 174.900 0.151 0.000 1.320 34 G CA 2.155 47.351 45.100 0.160 0.000 0.997 34 G HN 1.644 nan 8.290 nan 0.000 0.543 35 R N 1.275 121.865 120.500 0.151 0.000 2.159 35 R HA -0.036 4.304 4.340 -0.000 0.000 0.237 35 R C 2.742 179.122 176.300 0.132 0.000 1.131 35 R CA 2.411 58.612 56.100 0.168 0.000 0.982 35 R CB -1.042 29.360 30.300 0.170 0.000 0.868 35 R HN 0.731 nan 8.270 nan 0.000 0.453 36 G N 1.427 110.323 108.800 0.159 0.000 2.433 36 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 36 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 36 G C 1.263 176.243 174.900 0.133 0.000 1.186 36 G CA 0.632 45.874 45.100 0.237 0.000 0.779 36 G HN 0.292 nan 8.290 nan 0.000 0.543 37 L N 1.351 122.648 121.223 0.123 0.000 2.083 37 L HA 0.150 4.489 4.340 -0.000 0.000 0.209 37 L C 3.155 180.069 176.870 0.073 0.000 1.083 37 L CA 1.931 56.808 54.840 0.062 0.000 0.752 37 L CB -0.708 41.384 42.059 0.056 0.000 0.899 37 L HN 0.266 nan 8.230 nan 0.000 0.433 38 A N -0.770 122.102 122.820 0.086 0.000 1.902 38 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 38 A C 2.451 180.089 177.584 0.090 0.000 1.181 38 A CA 1.849 53.943 52.037 0.094 0.000 0.623 38 A CB -1.083 18.011 19.000 0.156 0.000 0.818 38 A HN 0.513 nan 8.150 nan 0.000 0.443 39 A N -1.491 121.349 122.820 0.032 0.000 1.902 39 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 39 A C 1.994 179.541 177.584 -0.063 0.000 1.181 39 A CA 1.659 53.623 52.037 -0.121 0.000 0.623 39 A CB -0.914 17.932 19.000 -0.257 0.000 0.818 39 A HN 0.891 nan 8.150 nan 0.000 0.443 40 W N 0.499 121.561 121.300 -0.396 0.000 2.355 40 W HA -0.144 4.515 4.660 -0.000 0.000 0.309 40 W C 1.703 178.125 176.519 -0.163 0.000 1.206 40 W CA 1.809 58.877 57.345 -0.462 0.000 1.284 40 W CB -0.460 28.440 29.460 -0.933 0.000 1.145 40 W HN 0.280 nan 8.180 nan 0.000 0.502 41 I N 0.406 120.813 120.570 -0.272 0.000 2.127 41 I HA -0.360 3.810 4.170 -0.000 0.000 0.241 41 I C 2.656 178.620 176.117 -0.255 0.000 1.075 41 I CA 1.551 62.599 61.300 -0.421 0.000 1.334 41 I CB -0.845 37.035 38.000 -0.201 0.000 1.040 41 I HN -0.009 nan 8.210 nan 0.000 0.405 42 L N -0.350 120.800 121.223 -0.122 0.000 2.079 42 L HA -0.280 4.059 4.340 -0.000 0.000 0.210 42 L C 2.446 179.355 176.870 0.065 0.000 1.081 42 L CA 1.512 56.301 54.840 -0.084 0.000 0.752 42 L CB -0.624 41.323 42.059 -0.187 0.000 0.896 42 L HN 0.605 nan 8.230 nan 0.000 0.433 43 W N 1.256 122.520 121.300 -0.061 0.000 2.363 43 W HA -0.215 4.445 4.660 -0.000 0.000 0.296 43 W C 2.074 178.612 176.519 0.031 0.000 1.212 43 W CA 1.524 58.953 57.345 0.139 0.000 1.260 43 W CB -0.210 29.342 29.460 0.153 0.000 1.131 43 W HN 0.298 nan 8.180 nan 0.000 0.530 44 N N 0.283 118.933 118.700 -0.084 0.000 2.251 44 N HA -0.110 4.630 4.740 -0.000 0.000 0.181 44 N C 1.073 176.452 175.510 -0.219 0.000 1.019 44 N CA 1.333 54.249 53.050 -0.224 0.000 0.862 44 N CB -0.382 37.898 38.487 -0.344 0.000 0.992 44 N HN 0.374 nan 8.380 nan 0.000 0.429 45 E N 0.062 120.145 120.200 -0.195 0.000 2.463 45 E HA 0.255 4.604 4.350 -0.000 0.000 0.193 45 E C -0.022 176.519 176.600 -0.099 0.000 1.041 45 E CA -0.194 56.117 56.400 -0.149 0.000 0.879 45 E CB 0.699 30.305 29.700 -0.155 0.000 0.997 45 E HN 0.170 nan 8.360 nan 0.000 0.478 46 A N 1.816 124.598 122.820 -0.062 0.000 2.959 46 A HA 0.239 4.559 4.320 -0.000 0.000 0.280 46 A C -0.008 177.555 177.584 -0.035 0.000 0.953 46 A CA -0.549 51.485 52.037 -0.005 0.000 1.047 46 A CB -0.080 18.969 19.000 0.081 0.000 1.147 46 A HN 0.009 nan 8.150 nan 0.000 0.489 47 R N 0.669 121.083 120.500 -0.143 0.000 2.345 47 R HA 0.387 4.727 4.340 -0.000 0.000 0.331 47 R C 1.242 177.429 176.300 -0.189 0.000 1.067 47 R CA 1.287 57.246 56.100 -0.235 0.000 0.962 47 R CB -0.188 29.958 30.300 -0.256 0.000 0.987 47 R HN 1.075 nan 8.270 nan 0.000 0.451 48 G N 3.157 111.828 108.800 -0.216 0.000 2.258 48 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.274 48 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.274 48 G C 0.145 174.974 174.900 -0.118 0.000 1.021 48 G CA 0.492 45.492 45.100 -0.166 0.000 0.798 48 G HN 0.668 nan 8.290 nan 0.000 0.507 49 V N -3.785 116.071 119.914 -0.098 0.000 3.036 49 V HA 0.766 4.886 4.120 -0.000 0.000 0.308 49 V C 0.437 176.492 176.094 -0.065 0.000 1.070 49 V CA -1.352 60.905 62.300 -0.072 0.000 1.056 49 V CB 1.743 33.532 31.823 -0.056 0.000 1.084 49 V HN 0.179 nan 8.190 nan 0.000 0.471 50 E N 2.993 123.159 120.200 -0.057 0.000 2.194 50 E HA 0.283 4.633 4.350 -0.000 0.000 0.284 50 E C -1.862 174.712 176.600 -0.044 0.000 1.035 50 E CA -1.960 54.408 56.400 -0.053 0.000 0.836 50 E CB 1.633 31.304 29.700 -0.048 0.000 1.070 50 E HN 0.552 nan 8.360 nan 0.000 0.401 51 P HA -0.178 nan 4.420 nan 0.000 0.218 51 P C 0.749 178.030 177.300 -0.033 0.000 1.152 51 P CA 1.346 64.423 63.100 -0.038 0.000 0.857 51 P CB 0.228 31.905 31.700 -0.039 0.000 0.787 52 L N -2.066 119.139 121.223 -0.030 0.000 2.700 52 L HA 0.167 4.507 4.340 -0.000 0.000 0.234 52 L C 1.042 177.901 176.870 -0.018 0.000 1.156 52 L CA -0.275 54.553 54.840 -0.020 0.000 0.946 52 L CB -0.301 41.747 42.059 -0.018 0.000 1.216 52 L HN -0.055 nan 8.230 nan 0.000 0.493 53 S N -1.168 114.517 115.700 -0.025 0.000 2.652 53 S HA 0.383 4.853 4.470 -0.000 0.000 0.270 53 S C -1.856 172.730 174.600 -0.023 0.000 1.243 53 S CA -1.154 57.030 58.200 -0.026 0.000 0.999 53 S CB 1.099 64.279 63.200 -0.033 0.000 0.973 53 S HN -0.141 nan 8.310 nan 0.000 0.544 54 P HA 0.063 nan 4.420 nan 0.000 0.226 54 P C 0.515 177.799 177.300 -0.026 0.000 1.153 54 P CA 0.785 63.872 63.100 -0.021 0.000 0.777 54 P CB -0.011 31.675 31.700 -0.022 0.000 0.794 55 E N -1.215 118.966 120.200 -0.032 0.000 2.371 55 E HA -0.021 4.329 4.350 -0.000 0.000 0.194 55 E C 0.810 177.385 176.600 -0.041 0.000 1.012 55 E CA 0.052 56.428 56.400 -0.039 0.000 0.860 55 E CB -0.632 29.041 29.700 -0.045 0.000 0.811 55 E HN 0.171 nan 8.360 nan 0.000 0.502 56 N N 1.892 120.570 118.700 -0.037 0.000 2.479 56 N HA -0.034 4.706 4.740 -0.000 0.000 0.257 56 N C -0.709 174.774 175.510 -0.044 0.000 1.232 56 N CA 0.239 53.265 53.050 -0.039 0.000 0.920 56 N CB 0.499 38.963 38.487 -0.038 0.000 1.105 56 N HN -0.226 nan 8.380 nan 0.000 0.444 57 K N 2.745 123.111 120.400 -0.057 0.000 2.235 57 K HA 0.279 4.599 4.320 -0.000 0.000 0.266 57 K C -0.838 175.706 176.600 -0.093 0.000 0.980 57 K CA -0.923 55.325 56.287 -0.064 0.000 0.849 57 K CB 1.741 34.198 32.500 -0.072 0.000 1.098 57 K HN 0.401 nan 8.250 nan 0.000 0.445 58 L N 5.232 126.404 121.223 -0.084 0.000 2.259 58 L HA 0.372 4.712 4.340 -0.000 0.000 0.288 58 L C -0.706 176.024 176.870 -0.233 0.000 1.051 58 L CA -0.252 54.487 54.840 -0.168 0.000 0.824 58 L CB 0.113 42.119 42.059 -0.088 0.000 1.206 58 L HN 0.483 nan 8.230 nan 0.000 0.429 59 I N 5.077 125.453 120.570 -0.323 0.000 2.392 59 I HA 0.296 4.465 4.170 -0.000 0.000 0.295 59 I C -0.815 175.025 176.117 -0.462 0.000 0.985 59 I CA -0.176 60.974 61.300 -0.250 0.000 1.221 59 I CB 0.983 38.909 38.000 -0.124 0.000 1.366 59 I HN 0.400 nan 8.210 nan 0.000 0.467 60 F N 5.142 125.123 119.950 0.052 0.000 2.443 60 F HA 0.563 5.090 4.527 -0.000 0.000 0.369 60 F C 0.346 176.207 175.800 0.102 0.000 1.090 60 F CA -0.517 57.528 58.000 0.076 0.000 1.129 60 F CB 1.232 40.277 39.000 0.075 0.000 1.367 60 F HN 0.413 nan 8.300 nan 0.000 0.465 61 A N 2.115 125.052 122.820 0.195 0.000 2.276 61 A HA 0.901 5.221 4.320 -0.000 0.000 0.316 61 A C -0.259 177.455 177.584 0.217 0.000 1.229 61 A CA -0.244 51.910 52.037 0.196 0.000 0.851 61 A CB 0.582 19.668 19.000 0.144 0.000 1.165 61 A HN 0.722 nan 8.150 nan 0.000 0.513 62 A N 1.778 124.745 122.820 0.245 0.000 2.352 62 A HA 0.977 5.296 4.320 -0.000 0.000 0.299 62 A C 0.422 178.155 177.584 0.248 0.000 1.160 62 A CA -0.146 52.039 52.037 0.246 0.000 0.933 62 A CB 1.087 20.251 19.000 0.273 0.000 1.387 62 A HN 1.844 nan 8.150 nan 0.000 0.487 63 G N -2.321 106.617 108.800 0.230 0.000 2.733 63 G HA2 0.579 4.539 3.960 -0.000 0.000 0.288 63 G HA3 0.579 4.539 3.960 -0.000 0.000 0.288 63 G C -2.408 172.594 174.900 0.170 0.000 1.373 63 G CA -0.969 44.257 45.100 0.211 0.000 0.895 63 G HN 0.333 nan 8.290 nan 0.000 0.479 64 P HA -0.094 nan 4.420 nan 0.000 0.223 64 P C 1.238 178.574 177.300 0.060 0.000 1.144 64 P CA 0.761 63.788 63.100 -0.122 0.000 0.783 64 P CB 0.143 31.523 31.700 -0.533 0.000 0.771 65 F N 0.550 120.440 119.950 -0.099 0.000 2.206 65 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 65 F C 1.116 176.903 175.800 -0.023 0.000 1.090 65 F CA 0.173 58.133 58.000 -0.067 0.000 1.323 65 F CB -1.524 37.477 39.000 -0.000 0.000 1.028 65 F HN -0.074 nan 8.300 nan 0.000 0.492 66 N N -0.496 118.343 118.700 0.232 0.000 2.492 66 N HA 0.359 5.099 4.740 -0.000 0.000 0.260 66 N C 1.155 176.760 175.510 0.158 0.000 1.215 66 N CA 0.791 53.963 53.050 0.203 0.000 0.923 66 N CB 0.471 39.096 38.487 0.230 0.000 1.092 66 N HN 0.252 nan 8.380 nan 0.000 0.448 67 G N 0.250 109.161 108.800 0.185 0.000 2.268 67 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.240 67 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.240 67 G C -0.091 174.868 174.900 0.099 0.000 1.010 67 G CA -0.177 45.028 45.100 0.176 0.000 0.618 67 G HN 0.392 nan 8.290 nan 0.000 0.516 68 L N 1.976 123.173 121.223 -0.043 0.000 2.334 68 L HA 0.496 4.836 4.340 -0.000 0.000 0.272 68 L C -1.891 174.598 176.870 -0.635 0.000 1.020 68 L CA -2.400 52.298 54.840 -0.236 0.000 0.812 68 L CB 1.847 43.756 42.059 -0.251 0.000 1.264 68 L HN -0.105 nan 8.230 nan 0.000 0.439 69 P HA 0.072 nan 4.420 nan 0.000 0.256 69 P C -0.771 176.145 177.300 -0.639 0.000 1.688 69 P CA -0.077 62.329 63.100 -1.156 0.000 1.162 69 P CB -0.328 31.095 31.700 -0.462 0.000 1.870 70 T N 0.535 114.719 114.554 -0.617 0.000 2.908 70 T HA 0.504 4.854 4.350 -0.000 0.000 0.290 70 T C -3.039 171.525 174.700 -0.227 0.000 1.034 70 T CA -3.240 58.586 62.100 -0.458 0.000 1.010 70 T CB 0.982 69.471 68.868 -0.631 0.000 1.068 70 T HN -0.108 nan 8.240 nan 0.000 0.481 71 P HA 0.106 nan 4.420 nan 0.000 0.253 71 P C 0.231 177.610 177.300 0.131 0.000 1.170 71 P CA 0.632 63.562 63.100 -0.283 0.000 0.806 71 P CB -0.402 31.034 31.700 -0.440 0.000 0.775 72 S N 2.192 118.055 115.700 0.271 0.000 3.549 72 S HA -0.178 4.292 4.470 -0.000 0.000 0.366 72 S C 1.096 175.875 174.600 0.298 0.000 1.012 72 S CA 0.956 59.324 58.200 0.281 0.000 1.141 72 S CB -1.691 61.640 63.200 0.219 0.000 0.910 72 S HN 0.807 nan 8.310 nan 0.000 0.471 73 G N 0.170 109.164 108.800 0.324 0.000 4.084 73 G HA2 0.490 4.450 3.960 -0.000 0.000 0.293 73 G HA3 0.490 4.450 3.960 -0.000 0.000 0.293 73 G C 0.449 175.555 174.900 0.343 0.000 1.303 73 G CA 0.132 45.444 45.100 0.354 0.000 1.289 73 G HN 0.665 nan 8.290 nan 0.000 0.609 74 G N 0.516 109.500 108.800 0.307 0.000 4.222 74 G HA2 0.339 4.299 3.960 -0.000 0.000 0.301 74 G HA3 0.339 4.299 3.960 -0.000 0.000 0.301 74 G C 0.346 175.366 174.900 0.200 0.000 1.171 74 G CA -0.390 44.865 45.100 0.258 0.000 0.937 74 G HN 0.121 nan 8.290 nan 0.000 0.557 75 K N 0.039 120.565 120.400 0.210 0.000 2.106 75 K HA 0.756 5.076 4.320 -0.000 0.000 0.246 75 K C -0.953 175.759 176.600 0.187 0.000 0.987 75 K CA -0.961 55.435 56.287 0.183 0.000 0.904 75 K CB 2.371 34.976 32.500 0.175 0.000 1.071 75 K HN 0.188 nan 8.250 nan 0.000 0.453 76 L N -0.173 121.158 121.223 0.179 0.000 2.513 76 L HA 0.346 4.686 4.340 -0.000 0.000 0.261 76 L C -1.497 175.480 176.870 0.178 0.000 0.945 76 L CA -0.683 54.274 54.840 0.195 0.000 0.848 76 L CB 2.135 44.327 42.059 0.220 0.000 1.334 76 L HN 0.292 nan 8.230 nan 0.000 0.407 77 V N 4.599 124.613 119.914 0.167 0.000 2.567 77 V HA 0.630 4.750 4.120 -0.000 0.000 0.289 77 V C -0.391 175.753 176.094 0.084 0.000 1.049 77 V CA -0.594 61.782 62.300 0.125 0.000 0.969 77 V CB 1.654 33.552 31.823 0.124 0.000 0.995 77 V HN 0.531 nan 8.190 nan 0.000 0.471 78 V N 3.456 123.377 119.914 0.012 0.000 2.487 78 V HA 0.914 5.033 4.120 -0.000 0.000 0.298 78 V C 0.130 176.114 176.094 -0.184 0.000 1.028 78 V CA -0.185 62.023 62.300 -0.153 0.000 0.860 78 V CB 1.448 33.207 31.823 -0.108 0.000 0.991 78 V HN 1.114 nan 8.190 nan 0.000 0.427 79 A N 3.646 126.302 122.820 -0.273 0.000 2.593 79 A HA 1.105 5.425 4.320 -0.000 0.000 0.290 79 A C -0.602 176.807 177.584 -0.292 0.000 1.126 79 A CA -0.101 51.764 52.037 -0.285 0.000 0.695 79 A CB 2.178 21.033 19.000 -0.243 0.000 1.290 79 A HN 2.164 nan 8.150 nan 0.000 0.414 80 A N 0.120 122.746 122.820 -0.324 0.000 2.481 80 A HA 0.575 4.894 4.320 -0.000 0.000 0.295 80 A C -0.933 176.498 177.584 -0.256 0.000 0.986 80 A CA -0.399 51.495 52.037 -0.238 0.000 0.617 80 A CB 0.213 19.107 19.000 -0.177 0.000 1.364 80 A HN 1.049 nan 8.150 nan 0.000 0.452 81 K N 0.983 121.295 120.400 -0.147 0.000 2.416 81 K HA 0.342 4.662 4.320 -0.000 0.000 0.283 81 K C 0.494 177.035 176.600 -0.098 0.000 1.037 81 K CA 0.560 56.799 56.287 -0.081 0.000 0.995 81 K CB 0.410 32.930 32.500 0.035 0.000 0.938 81 K HN 0.904 nan 8.250 nan 0.000 0.475 82 S N 5.040 120.672 115.700 -0.113 0.000 2.533 82 S HA 0.152 4.622 4.470 -0.000 0.000 0.282 82 S C -1.839 172.745 174.600 -0.026 0.000 1.304 82 S CA -1.272 56.891 58.200 -0.062 0.000 1.063 82 S CB 0.759 63.947 63.200 -0.021 0.000 0.881 82 S HN 0.497 nan 8.310 nan 0.000 0.493 83 P HA 0.111 nan 4.420 nan 0.000 0.245 83 P C 0.944 178.248 177.300 0.007 0.000 1.206 83 P CA 0.042 63.133 63.100 -0.015 0.000 0.781 83 P CB 0.155 31.841 31.700 -0.024 0.000 0.994 84 L N -0.413 120.834 121.223 0.039 0.000 2.316 84 L HA 0.119 4.459 4.340 -0.000 0.000 0.207 84 L C 1.824 178.759 176.870 0.108 0.000 1.070 84 L CA 1.909 56.792 54.840 0.071 0.000 0.820 84 L CB -1.040 41.086 42.059 0.112 0.000 0.992 84 L HN -0.067 nan 8.230 nan 0.000 0.466 85 T N -4.812 109.834 114.554 0.155 0.000 2.990 85 T HA 0.345 4.695 4.350 -0.000 0.000 0.249 85 T C 1.473 176.339 174.700 0.277 0.000 1.039 85 T CA 0.352 62.628 62.100 0.293 0.000 1.036 85 T CB 0.165 69.319 68.868 0.476 0.000 0.994 85 T HN 0.541 nan 8.240 nan 0.000 0.489 86 G N 0.670 109.523 108.800 0.089 0.000 2.136 86 G HA2 0.057 4.017 3.960 -0.000 0.000 0.242 86 G HA3 0.057 4.017 3.960 -0.000 0.000 0.242 86 G C 0.395 175.285 174.900 -0.017 0.000 0.989 86 G CA 0.034 45.151 45.100 0.027 0.000 0.682 86 G HN 1.081 nan 8.290 nan 0.000 0.522 87 G N -1.387 107.190 108.800 -0.372 0.000 3.262 87 G HA2 0.616 4.576 3.960 -0.000 0.000 0.229 87 G HA3 0.616 4.576 3.960 -0.000 0.000 0.229 87 G C -0.478 174.096 174.900 -0.544 0.000 1.280 87 G CA -0.496 43.980 45.100 -1.039 0.000 0.951 87 G HN 0.932 nan 8.290 nan 0.000 0.589 88 Y N 0.961 120.830 120.300 -0.718 0.000 2.436 88 Y HA 0.501 5.051 4.550 -0.000 0.000 0.336 88 Y C 0.416 176.293 175.900 -0.037 0.000 1.049 88 Y CA -0.040 57.883 58.100 -0.294 0.000 1.294 88 Y CB 0.464 38.803 38.460 -0.202 0.000 1.179 88 Y HN 0.507 nan 8.280 nan 0.000 0.520 89 G N 5.003 113.393 108.800 -0.684 0.000 2.482 89 G HA2 0.555 4.514 3.960 -0.000 0.000 0.317 89 G HA3 0.555 4.514 3.960 -0.000 0.000 0.317 89 G C -1.842 172.653 174.900 -0.675 0.000 1.241 89 G CA -0.602 44.248 45.100 -0.418 0.000 0.967 89 G HN 0.787 nan 8.290 nan 0.000 0.482 90 D N -0.862 119.353 120.400 -0.308 0.000 2.671 90 D HA 0.687 5.327 4.640 -0.000 0.000 0.273 90 D C -0.195 176.102 176.300 -0.005 0.000 1.264 90 D CA -0.241 53.642 54.000 -0.195 0.000 0.788 90 D CB 1.150 41.852 40.800 -0.164 0.000 1.324 90 D HN 1.045 nan 8.370 nan 0.000 0.424 91 G N -0.490 108.323 108.800 0.022 0.000 2.660 91 G HA2 0.493 4.453 3.960 -0.000 0.000 0.290 91 G HA3 0.493 4.453 3.960 -0.000 0.000 0.290 91 G C -1.679 173.272 174.900 0.085 0.000 1.432 91 G CA -0.803 44.342 45.100 0.075 0.000 0.807 91 G HN 0.569 nan 8.290 nan 0.000 0.485 92 N N -0.918 117.844 118.700 0.104 0.000 2.265 92 N HA 0.783 5.522 4.740 -0.000 0.000 0.300 92 N C -1.247 174.340 175.510 0.128 0.000 1.148 92 N CA -0.481 52.638 53.050 0.115 0.000 0.772 92 N CB 2.465 41.014 38.487 0.104 0.000 1.434 92 N HN 0.958 nan 8.380 nan 0.000 0.481 93 L N -1.051 120.254 121.223 0.137 0.000 2.612 93 L HA 0.705 5.045 4.340 -0.000 0.000 0.256 93 L C -0.698 176.254 176.870 0.136 0.000 0.949 93 L CA -0.812 54.109 54.840 0.136 0.000 0.867 93 L CB 1.590 43.734 42.059 0.142 0.000 1.417 93 L HN 0.491 nan 8.230 nan 0.000 0.414 94 G N 0.576 109.450 108.800 0.122 0.000 2.372 94 G HA2 0.572 4.532 3.960 -0.000 0.000 0.283 94 G HA3 0.572 4.532 3.960 -0.000 0.000 0.283 94 G C -0.581 174.380 174.900 0.101 0.000 1.177 94 G CA 0.233 45.403 45.100 0.116 0.000 0.842 94 G HN 0.983 nan 8.290 nan 0.000 0.503 95 T N 1.307 115.919 114.554 0.096 0.000 2.907 95 T HA 0.205 4.555 4.350 -0.000 0.000 0.344 95 T C 0.850 175.589 174.700 0.066 0.000 1.675 95 T CA -0.680 61.468 62.100 0.080 0.000 1.076 95 T CB 1.153 70.080 68.868 0.099 0.000 1.483 95 T HN 0.187 nan 8.240 nan 0.000 0.487 96 M N 2.182 121.812 119.600 0.049 0.000 2.557 96 M HA 0.148 4.628 4.480 -0.000 0.000 0.259 96 M C 2.355 178.707 176.300 0.087 0.000 1.086 96 M CA 1.350 56.660 55.300 0.018 0.000 1.096 96 M CB -1.479 31.145 32.600 0.041 0.000 1.424 96 M HN 0.824 nan 8.290 nan 0.000 0.488 97 A N -0.620 122.275 122.820 0.125 0.000 2.019 97 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 97 A C 2.459 180.130 177.584 0.145 0.000 1.164 97 A CA 2.025 54.144 52.037 0.138 0.000 0.644 97 A CB -0.656 18.386 19.000 0.070 0.000 0.805 97 A HN 0.475 nan 8.150 nan 0.000 0.449 98 S N -0.563 115.218 115.700 0.135 0.000 2.356 98 S HA -0.125 4.345 4.470 -0.000 0.000 0.223 98 S C 1.908 176.605 174.600 0.161 0.000 1.032 98 S CA 1.713 60.012 58.200 0.165 0.000 1.005 98 S CB -0.469 62.834 63.200 0.171 0.000 0.867 98 S HN 0.301 nan 8.310 nan 0.000 0.449 99 V N 2.030 122.000 119.914 0.092 0.000 2.307 99 V HA -0.112 4.008 4.120 -0.000 0.000 0.245 99 V C 2.510 178.628 176.094 0.040 0.000 1.045 99 V CA 1.962 64.296 62.300 0.056 0.000 1.024 99 V CB -0.885 30.883 31.823 -0.092 0.000 0.651 99 V HN 0.578 nan 8.190 nan 0.000 0.449 100 H N -0.730 118.408 119.070 0.112 0.000 2.326 100 H HA -0.091 4.465 4.556 -0.000 0.000 0.301 100 H C 2.177 177.570 175.328 0.109 0.000 1.081 100 H CA 1.880 57.980 56.048 0.085 0.000 1.334 100 H CB -0.384 29.399 29.762 0.036 0.000 1.385 100 H HN 0.320 nan 8.280 nan 0.000 0.504 101 L N 1.189 122.563 121.223 0.252 0.000 2.013 101 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 101 L C 2.435 179.474 176.870 0.282 0.000 1.073 101 L CA 1.711 56.703 54.840 0.254 0.000 0.753 101 L CB -0.255 41.944 42.059 0.233 0.000 0.890 101 L HN 0.020 nan 8.230 nan 0.000 0.432 102 R N -0.552 120.119 120.500 0.285 0.000 2.090 102 R HA -0.009 4.331 4.340 -0.000 0.000 0.228 102 R C 2.263 178.793 176.300 0.384 0.000 1.110 102 R CA 1.047 57.368 56.100 0.368 0.000 0.973 102 R CB -0.412 30.096 30.300 0.347 0.000 0.869 102 R HN 0.459 nan 8.270 nan 0.000 0.440 103 R N 0.276 120.936 120.500 0.268 0.000 2.280 103 R HA 0.045 4.385 4.340 -0.000 0.000 0.207 103 R C 1.760 178.117 176.300 0.095 0.000 1.043 103 R CA 0.803 57.046 56.100 0.238 0.000 1.006 103 R CB 0.010 30.429 30.300 0.198 0.000 0.885 103 R HN 0.119 nan 8.270 nan 0.000 0.467 104 A N -0.071 122.754 122.820 0.008 0.000 2.169 104 A HA 0.192 4.512 4.320 -0.000 0.000 0.212 104 A C 1.406 178.553 177.584 -0.727 0.000 1.153 104 A CA 0.974 52.908 52.037 -0.172 0.000 0.756 104 A CB 0.200 19.236 19.000 0.060 0.000 0.813 104 A HN 0.406 nan 8.150 nan 0.000 0.471 105 G N -2.723 105.512 108.800 -0.940 0.000 2.168 105 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.197 105 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.197 105 G C -0.227 173.638 174.900 -1.725 0.000 0.997 105 G CA 0.072 44.002 45.100 -1.949 0.000 0.658 105 G HN 0.452 nan 8.290 nan 0.000 0.513 106 Y N 0.413 120.523 120.300 -0.316 0.000 2.429 106 Y HA 0.645 5.195 4.550 -0.000 0.000 0.342 106 Y C 0.685 176.784 175.900 0.332 0.000 1.004 106 Y CA -1.354 56.773 58.100 0.045 0.000 1.075 106 Y CB 1.467 39.959 38.460 0.055 0.000 1.214 106 Y HN -0.072 nan 8.280 nan 0.000 0.455 107 D N 1.138 121.883 120.400 0.576 0.000 2.333 107 D HA 0.339 4.979 4.640 -0.000 0.000 0.208 107 D C 0.294 176.839 176.300 0.407 0.000 0.984 107 D CA 0.838 55.166 54.000 0.547 0.000 0.873 107 D CB 0.519 41.708 40.800 0.649 0.000 0.935 107 D HN 0.597 nan 8.370 nan 0.000 0.521 108 A N -0.262 122.780 122.820 0.370 0.000 2.540 108 A HA 0.576 4.895 4.320 -0.000 0.000 0.291 108 A C -2.242 175.477 177.584 0.225 0.000 1.083 108 A CA -0.682 51.521 52.037 0.276 0.000 0.650 108 A CB 0.996 20.117 19.000 0.203 0.000 1.292 108 A HN 0.023 nan 8.150 nan 0.000 0.435 109 L N 0.451 121.802 121.223 0.213 0.000 2.439 109 L HA 0.750 5.090 4.340 -0.000 0.000 0.270 109 L C -1.604 175.384 176.870 0.196 0.000 0.972 109 L CA -0.382 54.552 54.840 0.157 0.000 0.836 109 L CB 1.818 43.964 42.059 0.144 0.000 1.255 109 L HN 0.577 nan 8.230 nan 0.000 0.404 110 V N 5.685 125.660 119.914 0.102 0.000 2.384 110 V HA 0.597 4.717 4.120 -0.000 0.000 0.287 110 V C -0.237 175.894 176.094 0.062 0.000 1.020 110 V CA -0.683 61.657 62.300 0.066 0.000 0.850 110 V CB 1.716 33.546 31.823 0.012 0.000 0.987 110 V HN 0.546 nan 8.190 nan 0.000 0.436 111 V N 5.435 125.398 119.914 0.082 0.000 2.483 111 V HA 0.611 4.731 4.120 -0.000 0.000 0.295 111 V C -0.036 176.075 176.094 0.029 0.000 1.035 111 V CA -0.405 61.939 62.300 0.074 0.000 0.896 111 V CB 1.701 33.612 31.823 0.146 0.000 0.986 111 V HN 1.096 nan 8.190 nan 0.000 0.447 112 E N 3.200 123.408 120.200 0.013 0.000 2.393 112 E HA 0.826 5.176 4.350 -0.000 0.000 0.273 112 E C 0.022 176.619 176.600 -0.004 0.000 0.918 112 E CA -0.256 56.141 56.400 -0.004 0.000 0.773 112 E CB 2.374 32.063 29.700 -0.018 0.000 1.275 112 E HN 1.118 nan 8.360 nan 0.000 0.451 113 G N 1.031 109.825 108.800 -0.010 0.000 2.482 113 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.214 113 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.214 113 G C -1.025 173.870 174.900 -0.007 0.000 1.271 113 G CA -0.120 44.972 45.100 -0.013 0.000 0.944 113 G HN 0.851 nan 8.290 nan 0.000 0.568 114 K N -0.844 119.548 120.400 -0.012 0.000 2.582 114 K HA 0.649 4.969 4.320 -0.000 0.000 0.259 114 K C 0.056 176.639 176.600 -0.030 0.000 0.973 114 K CA 0.164 56.443 56.287 -0.015 0.000 0.880 114 K CB 0.945 33.435 32.500 -0.018 0.000 1.310 114 K HN 1.991 nan 8.250 nan 0.000 0.443 115 A N 3.359 126.157 122.820 -0.036 0.000 2.386 115 A HA 0.208 4.527 4.320 -0.000 0.000 0.246 115 A C 0.549 178.086 177.584 -0.079 0.000 1.089 115 A CA -0.085 51.919 52.037 -0.056 0.000 0.790 115 A CB 0.374 19.337 19.000 -0.061 0.000 1.042 115 A HN 0.921 nan 8.150 nan 0.000 0.497 116 K N 0.254 120.606 120.400 -0.079 0.000 2.116 116 K HA -0.022 4.298 4.320 -0.000 0.000 0.203 116 K C 0.160 176.683 176.600 -0.128 0.000 1.052 116 K CA 1.100 57.335 56.287 -0.086 0.000 0.952 116 K CB -0.109 32.350 32.500 -0.068 0.000 0.729 116 K HN 0.685 nan 8.250 nan 0.000 0.446 117 K N 0.665 120.977 120.400 -0.147 0.000 2.395 117 K HA 0.379 4.699 4.320 -0.000 0.000 0.245 117 K C -2.943 173.492 176.600 -0.275 0.000 1.017 117 K CA -2.442 53.715 56.287 -0.216 0.000 0.852 117 K CB 0.925 33.333 32.500 -0.153 0.000 1.311 117 K HN -0.299 nan 8.250 nan 0.000 0.452 118 P HA -0.023 nan 4.420 nan 0.000 0.264 118 P C -0.658 176.595 177.300 -0.079 0.000 1.193 118 P CA -0.203 62.632 63.100 -0.440 0.000 0.763 118 P CB 0.542 31.893 31.700 -0.582 0.000 0.810 119 V N 1.578 121.515 119.914 0.038 0.000 3.181 119 V HA 0.843 4.963 4.120 -0.000 0.000 0.308 119 V C -1.528 174.724 176.094 0.262 0.000 1.214 119 V CA -1.194 61.178 62.300 0.119 0.000 1.053 119 V CB 2.056 33.892 31.823 0.022 0.000 1.069 119 V HN 0.539 nan 8.190 nan 0.000 0.441 120 Y N -0.332 120.021 120.300 0.087 0.000 2.524 120 Y HA 0.850 5.400 4.550 -0.000 0.000 0.347 120 Y C -1.031 174.918 175.900 0.083 0.000 1.005 120 Y CA -1.570 56.590 58.100 0.099 0.000 1.025 120 Y CB 1.578 40.112 38.460 0.124 0.000 1.275 120 Y HN 0.708 nan 8.280 nan 0.000 0.460 121 I N 4.200 124.849 120.570 0.131 0.000 2.365 121 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 121 I C -1.082 175.075 176.117 0.068 0.000 1.004 121 I CA -0.711 60.596 61.300 0.012 0.000 1.311 121 I CB 0.963 38.962 38.000 -0.001 0.000 1.401 121 I HN 0.740 nan 8.210 nan 0.000 0.491 122 Y N 7.457 127.663 120.300 -0.157 0.000 2.364 122 Y HA 0.693 5.242 4.550 -0.000 0.000 0.340 122 Y C -0.902 174.931 175.900 -0.112 0.000 0.975 122 Y CA -0.670 57.352 58.100 -0.130 0.000 1.089 122 Y CB 1.127 39.444 38.460 -0.238 0.000 1.192 122 Y HN 0.352 nan 8.280 nan 0.000 0.454 123 I N 5.456 125.716 120.570 -0.516 0.000 2.582 123 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 123 I C -1.206 174.628 176.117 -0.472 0.000 1.066 123 I CA -0.735 60.372 61.300 -0.322 0.000 1.053 123 I CB 2.351 40.255 38.000 -0.161 0.000 1.241 123 I HN 0.653 nan 8.210 nan 0.000 0.421 124 E N 5.883 125.953 120.200 -0.218 0.000 2.759 124 E HA 0.218 4.568 4.350 -0.000 0.000 0.318 124 E C -1.024 175.567 176.600 -0.015 0.000 1.093 124 E CA -0.275 56.034 56.400 -0.153 0.000 0.762 124 E CB 0.524 30.157 29.700 -0.112 0.000 1.543 124 E HN 0.689 nan 8.360 nan 0.000 0.381 125 D N 1.848 122.252 120.400 0.008 0.000 3.798 125 D HA -0.251 4.388 4.640 -0.000 0.000 0.150 125 D C 0.405 176.754 176.300 0.081 0.000 0.953 125 D CA 1.653 55.647 54.000 -0.010 0.000 1.089 125 D CB -0.595 40.183 40.800 -0.037 0.000 0.535 125 D HN 0.574 nan 8.370 nan 0.000 0.563 126 D N 0.482 120.903 120.400 0.035 0.000 2.312 126 D HA -0.037 4.603 4.640 -0.000 0.000 0.211 126 D C 0.742 177.096 176.300 0.090 0.000 0.964 126 D CA 0.489 54.539 54.000 0.082 0.000 0.877 126 D CB -0.441 40.373 40.800 0.023 0.000 0.924 126 D HN 0.163 nan 8.370 nan 0.000 0.515 127 N N 0.771 119.517 118.700 0.077 0.000 2.402 127 N HA 0.108 4.848 4.740 -0.000 0.000 0.252 127 N C -1.373 174.198 175.510 0.102 0.000 1.118 127 N CA 0.001 53.102 53.050 0.086 0.000 0.945 127 N CB 0.467 39.018 38.487 0.107 0.000 1.147 127 N HN -0.303 nan 8.380 nan 0.000 0.495 128 V N 2.167 122.121 119.914 0.067 0.000 2.588 128 V HA 0.634 4.754 4.120 -0.000 0.000 0.304 128 V C -0.477 175.632 176.094 0.025 0.000 1.042 128 V CA -0.686 61.637 62.300 0.038 0.000 0.877 128 V CB 1.715 33.513 31.823 -0.041 0.000 0.996 128 V HN 0.723 nan 8.190 nan 0.000 0.425 129 S N 4.018 119.735 115.700 0.030 0.000 2.607 129 S HA 0.746 5.215 4.470 -0.000 0.000 0.273 129 S C -0.954 173.597 174.600 -0.081 0.000 1.148 129 S CA -0.735 57.443 58.200 -0.037 0.000 0.833 129 S CB 2.088 65.242 63.200 -0.077 0.000 1.130 129 S HN 0.500 nan 8.310 nan 0.000 0.470 130 I N 1.859 122.365 120.570 -0.107 0.000 2.354 130 I HA 0.400 4.570 4.170 -0.000 0.000 0.286 130 I C -0.994 175.013 176.117 -0.183 0.000 1.007 130 I CA -0.350 60.873 61.300 -0.127 0.000 1.167 130 I CB 0.732 38.688 38.000 -0.074 0.000 1.320 130 I HN 0.345 nan 8.210 nan 0.000 0.458 131 L N 4.110 125.137 121.223 -0.326 0.000 2.322 131 L HA 0.499 4.839 4.340 -0.000 0.000 0.269 131 L C 0.482 177.269 176.870 -0.139 0.000 1.012 131 L CA -0.785 53.863 54.840 -0.320 0.000 0.815 131 L CB 1.751 43.453 42.059 -0.595 0.000 1.295 131 L HN 0.451 nan 8.230 nan 0.000 0.438 132 S N 0.297 115.985 115.700 -0.020 0.000 2.564 132 S HA 0.459 4.929 4.470 -0.000 0.000 0.278 132 S C 0.388 175.122 174.600 0.224 0.000 1.333 132 S CA 0.142 58.382 58.200 0.066 0.000 1.048 132 S CB 0.890 64.114 63.200 0.040 0.000 0.900 132 S HN 0.712 nan 8.310 nan 0.000 0.505 133 A N 3.879 126.831 122.820 0.220 0.000 2.592 133 A HA 0.357 4.677 4.320 -0.000 0.000 0.290 133 A C 1.088 178.795 177.584 0.205 0.000 0.998 133 A CA -0.300 51.908 52.037 0.286 0.000 0.983 133 A CB -0.094 19.134 19.000 0.380 0.000 1.240 133 A HN 0.878 nan 8.150 nan 0.000 0.535 134 E N 0.171 120.442 120.200 0.119 0.000 2.130 134 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 134 E C 1.904 178.585 176.600 0.134 0.000 0.998 134 E CA 1.350 57.798 56.400 0.081 0.000 0.806 134 E CB -0.063 29.651 29.700 0.024 0.000 0.738 134 E HN 0.612 nan 8.360 nan 0.000 0.459 135 G N 0.134 109.003 108.800 0.116 0.000 2.650 135 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.214 135 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.214 135 G C 1.399 176.366 174.900 0.111 0.000 1.136 135 G CA 0.089 45.248 45.100 0.099 0.000 0.789 135 G HN 0.084 nan 8.290 nan 0.000 0.536 136 L N -1.298 120.014 121.223 0.149 0.000 2.253 136 L HA 0.252 4.592 4.340 -0.000 0.000 0.205 136 L C 1.414 178.392 176.870 0.180 0.000 1.078 136 L CA -0.527 54.388 54.840 0.125 0.000 0.805 136 L CB -0.051 42.067 42.059 0.098 0.000 0.963 136 L HN 0.242 nan 8.230 nan 0.000 0.459 137 W N 1.687 123.003 121.300 0.026 0.000 2.484 137 W HA -0.031 4.629 4.660 -0.000 0.000 0.337 137 W C 1.127 177.664 176.519 0.030 0.000 1.214 137 W CA 1.657 59.019 57.345 0.029 0.000 1.296 137 W CB 0.407 29.887 29.460 0.033 0.000 1.174 137 W HN 0.415 nan 8.180 nan 0.000 0.564 138 G N 3.179 111.810 108.800 -0.280 0.000 2.213 138 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.236 138 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.236 138 G C 0.216 175.068 174.900 -0.080 0.000 0.991 138 G CA 0.024 45.042 45.100 -0.138 0.000 0.629 138 G HN 0.447 nan 8.290 nan 0.000 0.517 139 K N 1.591 121.941 120.400 -0.084 0.000 2.098 139 K HA 0.525 4.845 4.320 -0.000 0.000 0.257 139 K C 1.113 177.653 176.600 -0.099 0.000 0.999 139 K CA 0.115 56.369 56.287 -0.056 0.000 0.924 139 K CB 0.899 33.385 32.500 -0.023 0.000 1.028 139 K HN 0.388 nan 8.250 nan 0.000 0.466 140 T N -2.053 112.449 114.554 -0.087 0.000 2.748 140 T HA -0.058 4.292 4.350 -0.000 0.000 0.304 140 T C 1.634 176.271 174.700 -0.105 0.000 1.041 140 T CA 0.106 62.116 62.100 -0.150 0.000 1.033 140 T CB 0.540 69.282 68.868 -0.210 0.000 0.995 140 T HN 0.736 nan 8.240 nan 0.000 0.536 141 T N -1.121 113.352 114.554 -0.134 0.000 2.857 141 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 141 T C 1.617 176.445 174.700 0.213 0.000 1.048 141 T CA 0.606 62.717 62.100 0.018 0.000 1.139 141 T CB -0.536 68.358 68.868 0.043 0.000 0.874 141 T HN 0.480 nan 8.240 nan 0.000 0.455 142 F N 2.267 122.206 119.950 -0.018 0.000 2.075 142 F HA 0.162 4.689 4.527 -0.000 0.000 0.297 142 F C 2.673 178.464 175.800 -0.014 0.000 1.113 142 F CA 0.871 58.864 58.000 -0.011 0.000 1.218 142 F CB -1.455 37.541 39.000 -0.006 0.000 0.984 142 F HN 0.240 nan 8.300 nan 0.000 0.472 143 E N 0.288 120.594 120.200 0.177 0.000 2.077 143 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 143 E C 2.093 178.719 176.600 0.044 0.000 0.989 143 E CA 1.964 58.414 56.400 0.084 0.000 0.800 143 E CB -0.561 29.166 29.700 0.045 0.000 0.746 143 E HN 0.241 nan 8.360 nan 0.000 0.452 144 T N 0.355 114.927 114.554 0.030 0.000 2.684 144 T HA -0.196 4.153 4.350 -0.000 0.000 0.267 144 T C 1.725 176.421 174.700 -0.007 0.000 1.036 144 T CA 1.622 63.720 62.100 -0.004 0.000 1.148 144 T CB -0.342 68.516 68.868 -0.016 0.000 0.863 144 T HN 0.388 nan 8.240 nan 0.000 0.436 145 E N 0.691 120.909 120.200 0.030 0.000 2.106 145 E HA -0.138 4.211 4.350 -0.000 0.000 0.192 145 E C 2.411 179.020 176.600 0.014 0.000 0.984 145 E CA 0.752 57.166 56.400 0.023 0.000 0.806 145 E CB -0.023 29.705 29.700 0.047 0.000 0.750 145 E HN 0.305 nan 8.360 nan 0.000 0.458 146 R N 0.473 120.987 120.500 0.024 0.000 2.073 146 R HA -0.156 4.183 4.340 -0.000 0.000 0.234 146 R C 2.058 178.356 176.300 -0.003 0.000 1.134 146 R CA 1.822 57.931 56.100 0.014 0.000 0.952 146 R CB -0.053 30.264 30.300 0.028 0.000 0.850 146 R HN 0.261 nan 8.270 nan 0.000 0.433 147 E N 0.311 120.503 120.200 -0.013 0.000 2.106 147 E HA -0.181 4.168 4.350 -0.000 0.000 0.192 147 E C 2.111 178.671 176.600 -0.067 0.000 0.984 147 E CA 1.082 57.460 56.400 -0.036 0.000 0.806 147 E CB -0.048 29.630 29.700 -0.036 0.000 0.750 147 E HN 0.352 nan 8.360 nan 0.000 0.458 148 L N 0.840 122.019 121.223 -0.072 0.000 2.141 148 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 148 L C 2.245 179.110 176.870 -0.007 0.000 1.094 148 L CA 1.151 55.944 54.840 -0.077 0.000 0.763 148 L CB -0.136 41.876 42.059 -0.079 0.000 0.908 148 L HN 0.025 nan 8.230 nan 0.000 0.437 149 K N -0.815 119.590 120.400 0.009 0.000 2.228 149 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 149 K C 1.854 178.459 176.600 0.009 0.000 1.051 149 K CA 0.393 56.701 56.287 0.034 0.000 0.960 149 K CB 0.103 32.620 32.500 0.028 0.000 0.743 149 K HN 0.067 nan 8.250 nan 0.000 0.458 150 E N 0.798 120.986 120.200 -0.020 0.000 2.268 150 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 150 E C 1.725 178.293 176.600 -0.053 0.000 0.995 150 E CA 0.741 57.125 56.400 -0.027 0.000 0.836 150 E CB 0.144 29.827 29.700 -0.029 0.000 0.763 150 E HN 0.178 nan 8.360 nan 0.000 0.491 151 I N -0.044 120.456 120.570 -0.117 0.000 2.594 151 I HA -0.118 4.051 4.170 -0.000 0.000 0.237 151 I C 2.007 178.024 176.117 -0.166 0.000 1.071 151 I CA 1.002 62.171 61.300 -0.219 0.000 1.427 151 I CB -1.326 36.396 38.000 -0.463 0.000 1.218 151 I HN 0.144 nan 8.210 nan 0.000 0.444 152 H N 0.998 120.118 119.070 0.084 0.000 2.535 152 H HA 0.346 4.902 4.556 -0.000 0.000 0.273 152 H C 1.092 176.463 175.328 0.072 0.000 0.983 152 H CA 0.900 57.017 56.048 0.115 0.000 1.238 152 H CB 0.037 29.923 29.762 0.206 0.000 1.412 152 H HN 0.415 nan 8.280 nan 0.000 0.562 153 G N 0.392 109.271 108.800 0.133 0.000 2.423 153 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.684 153 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.684 153 G C 0.384 175.323 174.900 0.065 0.000 1.309 153 G CA -0.343 44.807 45.100 0.084 0.000 0.950 153 G HN 0.043 nan 8.290 nan 0.000 0.587 154 K N -0.120 120.308 120.400 0.047 0.000 2.186 154 K HA 0.026 4.346 4.320 -0.000 0.000 0.202 154 K C 0.898 177.528 176.600 0.049 0.000 1.052 154 K CA 0.579 56.890 56.287 0.040 0.000 0.965 154 K CB -0.129 32.390 32.500 0.031 0.000 0.746 154 K HN 0.476 nan 8.250 nan 0.000 0.457 155 N N 2.421 121.151 118.700 0.050 0.000 3.050 155 N HA 0.052 4.792 4.740 -0.000 0.000 0.289 155 N C -0.081 175.413 175.510 -0.026 0.000 1.209 155 N CA 0.101 53.196 53.050 0.075 0.000 1.154 155 N CB 0.237 38.771 38.487 0.077 0.000 1.444 155 N HN -0.007 nan 8.380 nan 0.000 0.529 156 V N -3.094 116.816 119.914 -0.007 0.000 3.147 156 V HA 0.843 4.963 4.120 -0.000 0.000 0.299 156 V C -0.011 176.126 176.094 0.072 0.000 1.302 156 V CA -1.194 60.986 62.300 -0.201 0.000 1.015 156 V CB 1.553 33.293 31.823 -0.138 0.000 1.086 156 V HN 0.236 nan 8.190 nan 0.000 0.437 157 G N 1.193 110.079 108.800 0.142 0.000 2.335 157 G HA2 0.646 4.606 3.960 -0.000 0.000 0.316 157 G HA3 0.646 4.606 3.960 -0.000 0.000 0.316 157 G C -1.016 173.918 174.900 0.056 0.000 1.129 157 G CA -0.695 44.514 45.100 0.183 0.000 0.899 157 G HN 1.165 nan 8.290 nan 0.000 0.448 158 V N 3.301 123.243 119.914 0.046 0.000 2.540 158 V HA 0.525 4.645 4.120 -0.000 0.000 0.302 158 V C -0.141 175.968 176.094 0.025 0.000 1.035 158 V CA -0.668 61.646 62.300 0.023 0.000 0.873 158 V CB 1.643 33.483 31.823 0.028 0.000 0.992 158 V HN 0.614 nan 8.190 nan 0.000 0.428 159 L N 4.644 125.867 121.223 -0.001 0.000 2.346 159 L HA 0.872 5.212 4.340 -0.000 0.000 0.276 159 L C 0.159 177.054 176.870 0.042 0.000 1.006 159 L CA -0.209 54.644 54.840 0.022 0.000 0.817 159 L CB 2.264 44.296 42.059 -0.046 0.000 1.272 159 L HN 0.888 nan 8.230 nan 0.000 0.421 160 T N 0.260 114.857 114.554 0.072 0.000 2.778 160 T HA 0.829 5.179 4.350 -0.000 0.000 0.293 160 T C -0.710 174.023 174.700 0.055 0.000 1.144 160 T CA -0.743 61.394 62.100 0.060 0.000 1.010 160 T CB 2.086 70.977 68.868 0.039 0.000 1.325 160 T HN 0.546 nan 8.240 nan 0.000 0.515 161 I N -2.041 118.533 120.570 0.006 0.000 2.865 161 I HA 0.908 5.078 4.170 -0.000 0.000 0.302 161 I C 0.030 176.062 176.117 -0.141 0.000 1.140 161 I CA -1.207 60.064 61.300 -0.047 0.000 1.021 161 I CB 1.893 39.868 38.000 -0.043 0.000 1.233 161 I HN 0.965 nan 8.210 nan 0.000 0.427 162 G N 2.347 111.040 108.800 -0.178 0.000 2.887 162 G HA2 0.608 4.568 3.960 -0.000 0.000 0.277 162 G HA3 0.608 4.568 3.960 -0.000 0.000 0.277 162 G C -2.350 172.355 174.900 -0.326 0.000 1.346 162 G CA -1.684 43.268 45.100 -0.246 0.000 1.058 162 G HN 0.453 nan 8.290 nan 0.000 0.535 163 P HA -0.161 nan 4.420 nan 0.000 0.216 163 P C 2.063 179.140 177.300 -0.373 0.000 1.154 163 P CA 2.392 65.246 63.100 -0.411 0.000 0.865 163 P CB 0.114 31.462 31.700 -0.588 0.000 0.789 164 A N -0.547 122.057 122.820 -0.359 0.000 1.978 164 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 164 A C 2.442 179.899 177.584 -0.212 0.000 1.170 164 A CA 2.082 53.951 52.037 -0.279 0.000 0.636 164 A CB -1.749 17.111 19.000 -0.234 0.000 0.810 164 A HN 0.309 nan 8.150 nan 0.000 0.448 165 G N -0.463 108.220 108.800 -0.195 0.000 2.404 165 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.213 165 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.213 165 G C 1.369 176.198 174.900 -0.119 0.000 1.189 165 G CA 0.797 45.816 45.100 -0.134 0.000 0.796 165 G HN 0.624 nan 8.290 nan 0.000 0.532 166 E N 0.904 120.967 120.200 -0.228 0.000 2.160 166 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 166 E C 1.629 178.234 176.600 0.007 0.000 0.991 166 E CA 0.865 57.158 56.400 -0.178 0.000 0.810 166 E CB -0.023 29.275 29.700 -0.670 0.000 0.742 166 E HN 0.276 nan 8.360 nan 0.000 0.466 167 N N 0.539 119.194 118.700 -0.075 0.000 2.383 167 N HA 0.060 4.800 4.740 -0.000 0.000 0.192 167 N C -0.023 175.458 175.510 -0.047 0.000 1.141 167 N CA 0.267 53.297 53.050 -0.034 0.000 0.851 167 N CB 0.395 38.841 38.487 -0.068 0.000 0.976 167 N HN 0.133 nan 8.380 nan 0.000 0.465 168 L N -0.263 120.928 121.223 -0.053 0.000 3.608 168 L HA -0.187 4.152 4.340 -0.000 0.000 0.422 168 L C -0.616 176.178 176.870 -0.128 0.000 1.260 168 L CA -0.023 54.779 54.840 -0.064 0.000 0.889 168 L CB -2.311 39.732 42.059 -0.028 0.000 1.821 168 L HN -0.128 nan 8.230 nan 0.000 0.884 169 V N 1.409 121.204 119.914 -0.198 0.000 2.479 169 V HA 0.010 4.130 4.120 -0.000 0.000 0.281 169 V C 1.870 177.738 176.094 -0.376 0.000 1.031 169 V CA -0.097 61.995 62.300 -0.348 0.000 1.038 169 V CB 1.309 32.868 31.823 -0.440 0.000 0.981 169 V HN 0.308 nan 8.190 nan 0.000 0.478 170 K N 4.521 124.703 120.400 -0.364 0.000 2.173 170 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 170 K C 1.110 177.651 176.600 -0.097 0.000 1.046 170 K CA 1.855 58.030 56.287 -0.187 0.000 0.929 170 K CB -0.344 32.114 32.500 -0.072 0.000 0.720 170 K HN 0.954 nan 8.250 nan 0.000 0.453 171 Y N -1.079 119.217 120.300 -0.007 0.000 2.756 171 Y HA 0.609 5.159 4.550 -0.000 0.000 0.300 171 Y C 0.366 176.266 175.900 -0.000 0.000 1.113 171 Y CA -1.076 57.026 58.100 0.005 0.000 1.291 171 Y CB -0.533 37.932 38.460 0.009 0.000 1.175 171 Y HN -0.148 nan 8.280 nan 0.000 0.534 172 A N 1.444 124.232 122.820 -0.054 0.000 2.445 172 A HA 0.557 4.877 4.320 -0.000 0.000 0.242 172 A C 0.383 177.986 177.584 0.031 0.000 1.075 172 A CA 0.163 52.177 52.037 -0.039 0.000 0.777 172 A CB 0.168 19.112 19.000 -0.093 0.000 1.013 172 A HN 0.701 nan 8.150 nan 0.000 0.493 173 V N -0.244 119.695 119.914 0.042 0.000 3.164 173 V HA 0.826 4.946 4.120 -0.000 0.000 0.313 173 V C -0.326 175.808 176.094 0.067 0.000 1.188 173 V CA -0.832 61.507 62.300 0.066 0.000 1.058 173 V CB 1.489 33.368 31.823 0.092 0.000 1.110 173 V HN 0.698 nan 8.190 nan 0.000 0.453 174 V N 2.809 122.781 119.914 0.097 0.000 2.394 174 V HA 0.517 4.637 4.120 -0.000 0.000 0.282 174 V C -0.185 175.985 176.094 0.126 0.000 1.031 174 V CA -0.368 62.009 62.300 0.129 0.000 0.881 174 V CB 0.994 32.937 31.823 0.200 0.000 0.982 174 V HN 0.644 nan 8.190 nan 0.000 0.451 175 I N 3.474 124.113 120.570 0.115 0.000 2.525 175 I HA 0.653 4.823 4.170 -0.000 0.000 0.301 175 I C 0.145 176.336 176.117 0.123 0.000 0.992 175 I CA 0.047 61.422 61.300 0.126 0.000 1.162 175 I CB 1.916 39.997 38.000 0.136 0.000 1.332 175 I HN 0.718 nan 8.210 nan 0.000 0.458 176 S N 3.746 119.517 115.700 0.118 0.000 2.533 176 S HA 0.367 4.837 4.470 -0.000 0.000 0.271 176 S C -0.994 173.642 174.600 0.060 0.000 1.143 176 S CA -0.361 57.893 58.200 0.090 0.000 0.891 176 S CB 0.987 64.240 63.200 0.088 0.000 1.105 176 S HN 0.629 nan 8.310 nan 0.000 0.468 177 Q N 2.198 122.015 119.800 0.028 0.000 2.439 177 Q HA -0.166 4.174 4.340 -0.000 0.000 0.325 177 Q C -0.703 175.235 176.000 -0.103 0.000 1.372 177 Q CA 1.229 57.015 55.803 -0.028 0.000 0.909 177 Q CB -1.652 27.078 28.738 -0.013 0.000 1.167 177 Q HN 0.837 nan 8.270 nan 0.000 0.418 178 E N -1.860 118.238 120.200 -0.171 0.000 2.272 178 E HA -0.289 4.061 4.350 -0.000 0.000 0.160 178 E C 0.951 177.394 176.600 -0.262 0.000 1.627 178 E CA 0.628 56.709 56.400 -0.532 0.000 0.641 178 E CB -1.332 27.743 29.700 -1.042 0.000 1.060 178 E HN 0.871 nan 8.360 nan 0.000 0.324 179 G N 0.734 109.555 108.800 0.035 0.000 3.211 179 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.202 179 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.202 179 G C -0.186 174.764 174.900 0.083 0.000 1.035 179 G CA -0.691 44.449 45.100 0.066 0.000 0.846 179 G HN 0.134 nan 8.290 nan 0.000 0.464 180 R N 1.650 122.194 120.500 0.073 0.000 2.316 180 R HA 0.792 5.131 4.340 -0.000 0.000 0.314 180 R C 0.308 176.674 176.300 0.111 0.000 1.069 180 R CA 0.371 56.524 56.100 0.087 0.000 0.959 180 R CB 0.556 30.904 30.300 0.079 0.000 0.987 180 R HN 0.772 nan 8.270 nan 0.000 0.446 181 A N 1.188 124.078 122.820 0.116 0.000 2.386 181 A HA 0.924 5.244 4.320 -0.000 0.000 0.308 181 A C -1.120 176.542 177.584 0.130 0.000 1.128 181 A CA -0.350 51.761 52.037 0.123 0.000 0.789 181 A CB 1.900 20.971 19.000 0.118 0.000 1.325 181 A HN 0.712 nan 8.150 nan 0.000 0.437 182 A N -0.775 122.123 122.820 0.130 0.000 2.555 182 A HA 0.713 5.033 4.320 -0.000 0.000 0.297 182 A C 0.169 177.818 177.584 0.109 0.000 1.060 182 A CA 0.246 52.360 52.037 0.128 0.000 0.710 182 A CB 0.614 19.695 19.000 0.135 0.000 1.282 182 A HN 2.759 nan 8.150 nan 0.000 0.399 183 G N 1.633 110.496 108.800 0.105 0.000 2.392 183 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.215 183 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.215 183 G C 0.634 175.595 174.900 0.102 0.000 1.097 183 G CA 0.316 45.461 45.100 0.075 0.000 0.840 183 G HN 0.933 nan 8.290 nan 0.000 0.492 184 R N -0.139 120.451 120.500 0.149 0.000 2.134 184 R HA -0.155 4.185 4.340 -0.000 0.000 0.248 184 R C -1.027 175.368 176.300 0.159 0.000 1.143 184 R CA 1.892 58.089 56.100 0.161 0.000 0.957 184 R CB -0.802 29.608 30.300 0.184 0.000 0.867 184 R HN 0.439 nan 8.270 nan 0.000 0.441 185 P HA 0.115 nan 4.420 nan 0.000 0.261 185 P C -0.132 177.212 177.300 0.073 0.000 1.650 185 P CA 0.564 63.740 63.100 0.126 0.000 0.846 185 P CB -0.013 31.763 31.700 0.127 0.000 1.758 186 G N 0.165 109.012 108.800 0.078 0.000 2.225 186 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.264 186 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.264 186 G C 0.683 175.581 174.900 -0.004 0.000 1.060 186 G CA 0.070 45.186 45.100 0.027 0.000 0.833 186 G HN 0.194 nan 8.290 nan 0.000 0.498 187 M N 0.256 119.854 119.600 -0.003 0.000 2.394 187 M HA 0.193 4.673 4.480 -0.000 0.000 0.264 187 M C 2.440 178.738 176.300 -0.004 0.000 1.073 187 M CA 1.957 57.235 55.300 -0.036 0.000 1.111 187 M CB -0.395 32.172 32.600 -0.055 0.000 1.401 187 M HN 0.380 nan 8.290 nan 0.000 0.448 188 G N -1.188 107.621 108.800 0.016 0.000 2.430 188 G HA2 0.032 3.992 3.960 -0.000 0.000 0.216 188 G HA3 0.032 3.992 3.960 -0.000 0.000 0.216 188 G C 1.541 176.444 174.900 0.005 0.000 1.146 188 G CA 0.666 45.779 45.100 0.023 0.000 0.793 188 G HN 0.529 nan 8.290 nan 0.000 0.537 189 A N 0.095 122.906 122.820 -0.015 0.000 2.066 189 A HA 0.266 4.586 4.320 -0.000 0.000 0.218 189 A C 2.450 180.035 177.584 0.002 0.000 1.157 189 A CA 1.284 53.307 52.037 -0.022 0.000 0.670 189 A CB -0.190 18.779 19.000 -0.051 0.000 0.804 189 A HN 0.206 nan 8.150 nan 0.000 0.453 190 V N -0.553 119.359 119.914 -0.002 0.000 2.407 190 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 190 V C 2.510 178.625 176.094 0.035 0.000 1.041 190 V CA 2.029 64.328 62.300 -0.002 0.000 1.040 190 V CB -0.612 31.189 31.823 -0.036 0.000 0.671 190 V HN 0.696 nan 8.190 nan 0.000 0.455 191 M N 0.769 120.403 119.600 0.056 0.000 2.108 191 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 191 M C 1.949 178.340 176.300 0.151 0.000 1.066 191 M CA 2.302 57.674 55.300 0.120 0.000 1.107 191 M CB -0.542 32.151 32.600 0.156 0.000 1.356 191 M HN 0.378 nan 8.290 nan 0.000 0.406 192 G N -1.073 107.804 108.800 0.130 0.000 2.448 192 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 192 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 192 G C 1.452 176.479 174.900 0.212 0.000 1.135 192 G CA 0.867 46.089 45.100 0.204 0.000 0.784 192 G HN 0.626 nan 8.290 nan 0.000 0.543 193 S N -0.095 115.674 115.700 0.114 0.000 2.522 193 S HA 0.115 4.585 4.470 -0.000 0.000 0.227 193 S C 1.729 176.365 174.600 0.060 0.000 0.986 193 S CA 0.617 58.863 58.200 0.076 0.000 0.929 193 S CB 0.032 63.253 63.200 0.034 0.000 0.769 193 S HN 0.359 nan 8.310 nan 0.000 0.529 194 K N 0.422 120.868 120.400 0.078 0.000 2.387 194 K HA 0.258 4.578 4.320 -0.000 0.000 0.198 194 K C -0.239 176.393 176.600 0.054 0.000 1.022 194 K CA -0.238 56.081 56.287 0.054 0.000 1.128 194 K CB 0.148 32.686 32.500 0.063 0.000 0.853 194 K HN 0.043 nan 8.250 nan 0.000 0.523 195 K N 0.740 121.193 120.400 0.088 0.000 3.069 195 K HA -0.170 4.150 4.320 -0.000 0.000 0.267 195 K C -0.818 175.838 176.600 0.093 0.000 1.082 195 K CA 0.268 56.550 56.287 -0.009 0.000 0.782 195 K CB -1.389 30.987 32.500 -0.207 0.000 1.230 195 K HN 0.138 nan 8.250 nan 0.000 0.488 196 L N 0.099 121.466 121.223 0.239 0.000 2.259 196 L HA 0.340 4.679 4.340 -0.000 0.000 0.288 196 L C 1.070 178.158 176.870 0.364 0.000 1.051 196 L CA -0.031 54.961 54.840 0.254 0.000 0.824 196 L CB 1.266 43.444 42.059 0.199 0.000 1.206 196 L HN 0.067 nan 8.230 nan 0.000 0.429 197 K N 4.179 124.840 120.400 0.435 0.000 2.186 197 K HA 0.492 4.812 4.320 -0.000 0.000 0.202 197 K C 0.040 176.759 176.600 0.199 0.000 1.052 197 K CA 1.055 57.568 56.287 0.377 0.000 0.965 197 K CB 0.321 33.103 32.500 0.470 0.000 0.746 197 K HN 0.727 nan 8.250 nan 0.000 0.457 198 A N -1.212 121.737 122.820 0.215 0.000 2.564 198 A HA 0.605 4.925 4.320 -0.000 0.000 0.291 198 A C -1.730 175.951 177.584 0.162 0.000 1.102 198 A CA -0.705 51.414 52.037 0.136 0.000 0.660 198 A CB 1.435 20.460 19.000 0.043 0.000 1.283 198 A HN -0.132 nan 8.150 nan 0.000 0.430 199 V N 0.494 120.445 119.914 0.062 0.000 2.569 199 V HA 0.546 4.665 4.120 -0.000 0.000 0.301 199 V C -0.815 175.285 176.094 0.009 0.000 1.044 199 V CA -0.555 61.748 62.300 0.005 0.000 0.874 199 V CB 1.536 33.212 31.823 -0.245 0.000 1.002 199 V HN 0.796 nan 8.190 nan 0.000 0.424 200 V N 6.477 126.428 119.914 0.063 0.000 2.417 200 V HA 0.597 4.717 4.120 -0.000 0.000 0.291 200 V C -0.251 175.725 176.094 -0.197 0.000 1.024 200 V CA -0.306 61.982 62.300 -0.019 0.000 0.861 200 V CB 1.576 33.462 31.823 0.106 0.000 0.985 200 V HN 0.715 nan 8.190 nan 0.000 0.436 201 I N 4.820 125.278 120.570 -0.187 0.000 2.689 201 I HA 0.722 4.891 4.170 -0.000 0.000 0.299 201 I C -0.206 175.703 176.117 -0.347 0.000 1.059 201 I CA -0.783 60.391 61.300 -0.210 0.000 1.055 201 I CB 2.232 40.209 38.000 -0.039 0.000 1.243 201 I HN 0.407 nan 8.210 nan 0.000 0.425 202 R N 2.597 122.896 120.500 -0.333 0.000 2.523 202 R HA 0.559 4.898 4.340 -0.000 0.000 0.278 202 R C -1.366 174.873 176.300 -0.101 0.000 1.150 202 R CA -0.440 55.375 56.100 -0.474 0.000 0.987 202 R CB 2.217 32.253 30.300 -0.440 0.000 1.232 202 R HN 0.941 nan 8.270 nan 0.000 0.424 203 G N 0.082 108.982 108.800 0.166 0.000 2.481 203 G HA2 0.447 4.407 3.960 -0.000 0.000 0.315 203 G HA3 0.447 4.407 3.960 -0.000 0.000 0.315 203 G C 0.433 175.431 174.900 0.165 0.000 1.231 203 G CA -0.200 44.992 45.100 0.154 0.000 0.968 203 G HN 0.520 nan 8.290 nan 0.000 0.482 204 T N -2.294 112.316 114.554 0.093 0.000 3.046 204 T HA 0.264 4.613 4.350 -0.000 0.000 0.270 204 T C 0.553 175.306 174.700 0.088 0.000 0.920 204 T CA -0.159 61.996 62.100 0.091 0.000 0.874 204 T CB 0.044 68.949 68.868 0.061 0.000 1.214 204 T HN 0.405 nan 8.240 nan 0.000 0.536 205 K N 2.970 123.417 120.400 0.079 0.000 2.382 205 K HA 0.281 4.601 4.320 -0.000 0.000 0.275 205 K C 0.302 177.023 176.600 0.202 0.000 1.009 205 K CA -0.299 56.056 56.287 0.114 0.000 0.970 205 K CB 0.747 33.277 32.500 0.050 0.000 0.934 205 K HN 0.539 nan 8.250 nan 0.000 0.479 206 E N 3.847 124.164 120.200 0.196 0.000 2.200 206 E HA 0.111 4.461 4.350 -0.000 0.000 0.283 206 E C -0.764 175.959 176.600 0.205 0.000 1.015 206 E CA -0.602 55.897 56.400 0.166 0.000 0.819 206 E CB 0.641 30.399 29.700 0.096 0.000 1.081 206 E HN 0.382 nan 8.360 nan 0.000 0.397 207 I N 6.016 126.658 120.570 0.120 0.000 2.533 207 I HA 0.079 4.249 4.170 -0.000 0.000 0.284 207 I C -1.733 174.251 176.117 -0.222 0.000 1.109 207 I CA -1.729 59.478 61.300 -0.154 0.000 1.412 207 I CB 0.487 38.383 38.000 -0.173 0.000 1.396 207 I HN 0.458 nan 8.210 nan 0.000 0.543 208 P HA 0.088 nan 4.420 nan 0.000 0.267 208 P C -0.745 176.520 177.300 -0.058 0.000 1.209 208 P CA 0.052 63.088 63.100 -0.107 0.000 0.763 208 P CB 0.968 32.611 31.700 -0.095 0.000 0.816 209 V N 3.313 123.201 119.914 -0.044 0.000 2.540 209 V HA 0.348 4.468 4.120 -0.000 0.000 0.302 209 V C 1.404 177.258 176.094 -0.400 0.000 1.035 209 V CA -0.211 61.988 62.300 -0.167 0.000 0.873 209 V CB 1.490 33.200 31.823 -0.188 0.000 0.992 209 V HN 0.643 nan 8.190 nan 0.000 0.428 210 A N 3.095 125.588 122.820 -0.545 0.000 1.883 210 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 210 A C 0.989 178.258 177.584 -0.524 0.000 1.186 210 A CA 1.924 53.442 52.037 -0.865 0.000 0.624 210 A CB -0.105 18.605 19.000 -0.483 0.000 0.822 210 A HN 0.769 nan 8.150 nan 0.000 0.444 211 D N -1.612 118.590 120.400 -0.329 0.000 2.346 211 D HA 0.272 4.912 4.640 -0.000 0.000 0.255 211 D C 0.603 176.788 176.300 -0.192 0.000 1.276 211 D CA -0.371 53.490 54.000 -0.231 0.000 0.941 211 D CB 0.627 41.315 40.800 -0.187 0.000 1.199 211 D HN 0.084 nan 8.370 nan 0.000 0.537 212 K N 1.154 121.450 120.400 -0.173 0.000 2.097 212 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 212 K C 1.387 177.917 176.600 -0.118 0.000 1.050 212 K CA 0.635 56.838 56.287 -0.141 0.000 0.938 212 K CB 0.407 32.839 32.500 -0.113 0.000 0.718 212 K HN 0.434 nan 8.250 nan 0.000 0.442 213 E N 0.843 120.980 120.200 -0.106 0.000 2.058 213 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 213 E C 1.875 178.421 176.600 -0.090 0.000 0.997 213 E CA 1.157 57.506 56.400 -0.085 0.000 0.801 213 E CB 0.135 29.790 29.700 -0.076 0.000 0.746 213 E HN 0.224 nan 8.360 nan 0.000 0.450 214 E N 0.472 120.609 120.200 -0.105 0.000 2.208 214 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 214 E C 2.124 178.649 176.600 -0.125 0.000 0.988 214 E CA 0.095 56.432 56.400 -0.105 0.000 0.828 214 E CB -0.197 29.436 29.700 -0.111 0.000 0.763 214 E HN 0.123 nan 8.360 nan 0.000 0.478 215 L N 1.670 122.801 121.223 -0.152 0.000 2.046 215 L HA -0.154 4.185 4.340 -0.000 0.000 0.208 215 L C 2.103 178.870 176.870 -0.171 0.000 1.077 215 L CA 1.889 56.614 54.840 -0.193 0.000 0.747 215 L CB -0.433 41.497 42.059 -0.215 0.000 0.896 215 L HN -0.089 nan 8.230 nan 0.000 0.432 216 K N -0.231 120.093 120.400 -0.127 0.000 1.973 216 K HA -0.248 4.071 4.320 -0.000 0.000 0.212 216 K C 2.259 178.815 176.600 -0.073 0.000 1.047 216 K CA 1.862 58.094 56.287 -0.091 0.000 0.937 216 K CB -0.232 32.230 32.500 -0.063 0.000 0.721 216 K HN 0.286 nan 8.250 nan 0.000 0.440 217 K N 0.868 121.232 120.400 -0.060 0.000 2.015 217 K HA -0.214 4.106 4.320 -0.000 0.000 0.220 217 K C 2.283 178.864 176.600 -0.031 0.000 1.055 217 K CA 1.968 58.232 56.287 -0.037 0.000 0.951 217 K CB -0.332 32.145 32.500 -0.037 0.000 0.725 217 K HN 0.097 nan 8.250 nan 0.000 0.449 218 L N 0.315 121.509 121.223 -0.047 0.000 2.013 218 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 218 L C 2.607 179.406 176.870 -0.119 0.000 1.073 218 L CA 1.533 56.367 54.840 -0.009 0.000 0.753 218 L CB -0.405 41.625 42.059 -0.048 0.000 0.890 218 L HN 0.245 nan 8.230 nan 0.000 0.432 219 S N -1.262 114.307 115.700 -0.217 0.000 2.368 219 S HA -0.179 4.290 4.470 -0.000 0.000 0.224 219 S C 1.966 176.388 174.600 -0.295 0.000 1.029 219 S CA 0.940 58.911 58.200 -0.383 0.000 0.988 219 S CB -0.089 62.921 63.200 -0.317 0.000 0.838 219 S HN 0.375 nan 8.310 nan 0.000 0.462 220 Q N 1.287 121.057 119.800 -0.049 0.000 2.046 220 Q HA -0.045 4.295 4.340 -0.000 0.000 0.200 220 Q C 2.058 178.078 176.000 0.032 0.000 0.975 220 Q CA 1.282 57.135 55.803 0.084 0.000 0.836 220 Q CB -0.549 28.223 28.738 0.056 0.000 0.896 220 Q HN 0.632 nan 8.270 nan 0.000 0.428 221 E N 0.332 120.530 120.200 -0.004 0.000 2.085 221 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 221 E C 1.833 178.389 176.600 -0.072 0.000 0.994 221 E CA 1.101 57.526 56.400 0.042 0.000 0.801 221 E CB -0.104 29.698 29.700 0.171 0.000 0.743 221 E HN 0.331 nan 8.360 nan 0.000 0.453 222 A N 0.481 123.069 122.820 -0.386 0.000 1.969 222 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 222 A C 1.783 179.153 177.584 -0.356 0.000 1.169 222 A CA 1.012 52.579 52.037 -0.784 0.000 0.635 222 A CB -0.538 17.754 19.000 -1.179 0.000 0.810 222 A HN 0.210 nan 8.150 nan 0.000 0.445 223 Y N 0.978 121.163 120.300 -0.192 0.000 2.163 223 Y HA -0.154 4.396 4.550 -0.000 0.000 0.288 223 Y C 2.431 178.271 175.900 -0.101 0.000 1.136 223 Y CA 1.318 59.350 58.100 -0.112 0.000 1.147 223 Y CB -0.483 37.932 38.460 -0.075 0.000 0.987 223 Y HN 0.332 nan 8.280 nan 0.000 0.509 224 N N 0.137 118.885 118.700 0.079 0.000 2.120 224 N HA -0.189 4.551 4.740 -0.000 0.000 0.188 224 N C 1.851 177.354 175.510 -0.012 0.000 1.024 224 N CA 1.299 54.356 53.050 0.012 0.000 0.852 224 N CB -0.502 37.997 38.487 0.019 0.000 1.003 224 N HN 0.488 nan 8.380 nan 0.000 0.424 225 E N 0.633 120.834 120.200 0.001 0.000 2.209 225 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 225 E C 1.828 178.435 176.600 0.012 0.000 0.993 225 E CA 0.562 56.977 56.400 0.025 0.000 0.819 225 E CB 0.042 29.780 29.700 0.063 0.000 0.745 225 E HN 0.339 nan 8.360 nan 0.000 0.477 226 I N 0.227 120.794 120.570 -0.006 0.000 2.277 226 I HA -0.238 3.931 4.170 -0.000 0.000 0.243 226 I C 2.258 178.306 176.117 -0.114 0.000 1.094 226 I CA 0.605 61.917 61.300 0.021 0.000 1.393 226 I CB -0.160 37.891 38.000 0.085 0.000 1.078 226 I HN 0.193 nan 8.210 nan 0.000 0.417 227 L N 0.736 121.801 121.223 -0.263 0.000 2.017 227 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 227 L C 1.991 178.648 176.870 -0.356 0.000 1.073 227 L CA 1.403 55.895 54.840 -0.581 0.000 0.745 227 L CB -0.595 41.253 42.059 -0.352 0.000 0.894 227 L HN 0.327 nan 8.230 nan 0.000 0.432 228 N N -0.255 118.362 118.700 -0.138 0.000 2.515 228 N HA -0.035 4.705 4.740 -0.000 0.000 0.185 228 N C 0.682 176.202 175.510 0.017 0.000 1.109 228 N CA 0.434 53.457 53.050 -0.045 0.000 0.903 228 N CB -0.146 38.332 38.487 -0.014 0.000 0.969 228 N HN 0.301 nan 8.380 nan 0.000 0.450 229 S N 1.419 117.141 115.700 0.037 0.000 2.562 229 S HA 0.155 4.625 4.470 -0.000 0.000 0.281 229 S C -1.200 173.482 174.600 0.137 0.000 1.333 229 S CA -1.028 57.227 58.200 0.092 0.000 1.052 229 S CB 1.651 64.914 63.200 0.106 0.000 0.884 229 S HN -0.007 nan 8.310 nan 0.000 0.506 230 P HA -0.063 nan 4.420 nan 0.000 0.216 230 P C 1.576 178.978 177.300 0.169 0.000 1.153 230 P CA 1.869 65.044 63.100 0.125 0.000 0.858 230 P CB -0.586 31.167 31.700 0.088 0.000 0.789 231 G N -1.595 107.307 108.800 0.171 0.000 2.534 231 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 231 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 231 G C 1.522 176.598 174.900 0.292 0.000 1.128 231 G CA 0.156 45.385 45.100 0.215 0.000 0.784 231 G HN 0.179 nan 8.290 nan 0.000 0.542 232 Y N 2.765 123.160 120.300 0.158 0.000 2.040 232 Y HA -0.207 4.343 4.550 -0.000 0.000 0.275 232 Y C 0.259 176.300 175.900 0.235 0.000 1.171 232 Y CA 2.530 60.745 58.100 0.192 0.000 1.123 232 Y CB -0.922 37.614 38.460 0.127 0.000 0.963 232 Y HN 0.236 nan 8.280 nan 0.000 0.493 233 P HA -0.237 nan 4.420 nan 0.000 0.215 233 P C 1.572 178.942 177.300 0.117 0.000 1.157 233 P CA 1.924 65.119 63.100 0.159 0.000 0.874 233 P CB -0.409 31.424 31.700 0.220 0.000 0.790 234 F N -0.892 119.078 119.950 0.034 0.000 2.206 234 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 234 F C 2.268 178.041 175.800 -0.045 0.000 1.090 234 F CA 0.756 58.753 58.000 -0.005 0.000 1.323 234 F CB -0.939 38.079 39.000 0.031 0.000 1.028 234 F HN -0.014 nan 8.300 nan 0.000 0.492 235 W N 2.050 123.242 121.300 -0.180 0.000 2.335 235 W HA -0.274 4.386 4.660 -0.000 0.000 0.311 235 W C 2.235 178.534 176.519 -0.367 0.000 1.213 235 W CA 2.082 59.247 57.345 -0.300 0.000 1.274 235 W CB -0.623 28.714 29.460 -0.205 0.000 1.148 235 W HN 0.077 nan 8.180 nan 0.000 0.498 236 K N 0.746 120.897 120.400 -0.415 0.000 2.281 236 K HA -0.206 4.114 4.320 -0.000 0.000 0.203 236 K C 2.141 178.487 176.600 -0.423 0.000 1.046 236 K CA 1.393 57.403 56.287 -0.463 0.000 0.938 236 K CB -0.111 32.133 32.500 -0.428 0.000 0.737 236 K HN 0.181 nan 8.250 nan 0.000 0.458 237 R N -0.272 119.976 120.500 -0.421 0.000 2.055 237 R HA 0.017 4.356 4.340 -0.000 0.000 0.221 237 R C 2.096 178.087 176.300 -0.516 0.000 1.154 237 R CA 1.281 57.152 56.100 -0.381 0.000 0.975 237 R CB 0.012 30.150 30.300 -0.269 0.000 0.869 237 R HN 0.277 nan 8.270 nan 0.000 0.437 238 Q N -0.153 119.185 119.800 -0.769 0.000 2.317 238 Q HA 0.200 4.540 4.340 -0.000 0.000 0.220 238 Q C 0.833 176.381 176.000 -0.753 0.000 0.873 238 Q CA 0.300 55.663 55.803 -0.734 0.000 0.936 238 Q CB 1.371 29.584 28.738 -0.876 0.000 1.105 238 Q HN 0.397 nan 8.270 nan 0.000 0.520 239 G N 2.115 110.259 108.800 -1.094 0.000 2.594 239 G HA2 -0.454 3.506 3.960 -0.000 0.000 0.297 239 G HA3 -0.454 3.506 3.960 -0.000 0.000 0.297 239 G C 0.880 175.235 174.900 -0.908 0.000 1.273 239 G CA 1.177 45.355 45.100 -1.536 0.000 0.974 239 G HN 0.396 nan 8.290 nan 0.000 0.552 240 T N -1.639 112.613 114.554 -0.504 0.000 3.051 240 T HA 0.093 4.442 4.350 -0.000 0.000 0.269 240 T C 2.255 176.894 174.700 -0.102 0.000 1.127 240 T CA 1.892 63.910 62.100 -0.137 0.000 1.107 240 T CB -0.077 68.800 68.868 0.016 0.000 0.898 240 T HN 0.372 nan 8.240 nan 0.000 0.517 241 M N 1.323 120.815 119.600 -0.180 0.000 2.446 241 M HA 0.221 4.700 4.480 -0.000 0.000 0.263 241 M C 2.534 178.776 176.300 -0.096 0.000 1.066 241 M CA 0.696 55.941 55.300 -0.091 0.000 1.087 241 M CB -1.404 31.097 32.600 -0.165 0.000 1.406 241 M HN 0.542 nan 8.290 nan 0.000 0.459 242 A N -0.311 122.404 122.820 -0.175 0.000 2.172 242 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 242 A C 2.275 179.879 177.584 0.033 0.000 1.154 242 A CA 1.386 53.382 52.037 -0.067 0.000 0.701 242 A CB -0.537 18.444 19.000 -0.033 0.000 0.789 242 A HN 0.456 nan 8.150 nan 0.000 0.465 243 A N -0.605 122.159 122.820 -0.093 0.000 2.067 243 A HA 0.189 4.509 4.320 -0.000 0.000 0.217 243 A C 2.040 179.554 177.584 -0.117 0.000 1.156 243 A CA 1.138 53.071 52.037 -0.172 0.000 0.683 243 A CB -0.517 18.051 19.000 -0.720 0.000 0.808 243 A HN 0.286 nan 8.150 nan 0.000 0.455 244 V N 0.051 119.991 119.914 0.043 0.000 2.255 244 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 244 V C 2.609 178.801 176.094 0.162 0.000 1.051 244 V CA 2.488 64.925 62.300 0.228 0.000 1.018 244 V CB -0.665 31.293 31.823 0.226 0.000 0.641 244 V HN 0.590 nan 8.190 nan 0.000 0.445 245 E N -0.955 119.347 120.200 0.170 0.000 2.047 245 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 245 E C 1.768 178.467 176.600 0.165 0.000 0.987 245 E CA 1.485 57.987 56.400 0.169 0.000 0.799 245 E CB -0.434 29.405 29.700 0.233 0.000 0.752 245 E HN 0.669 nan 8.360 nan 0.000 0.449 246 W N -0.083 121.231 121.300 0.023 0.000 2.342 246 W HA -0.255 4.405 4.660 -0.000 0.000 0.297 246 W C 2.129 178.633 176.519 -0.025 0.000 1.213 246 W CA 1.635 58.984 57.345 0.007 0.000 1.251 246 W CB -0.502 28.974 29.460 0.028 0.000 1.136 246 W HN 0.109 nan 8.180 nan 0.000 0.526 247 C N 0.215 119.543 119.300 0.047 0.000 2.450 247 C HA -0.087 4.373 4.460 -0.000 0.000 0.279 247 C C 2.470 177.347 174.990 -0.188 0.000 1.335 247 C CA 1.413 60.341 59.018 -0.150 0.000 1.749 247 C CB -1.660 26.107 27.740 0.045 0.000 1.963 247 C HN 0.465 nan 8.230 nan 0.000 0.501 248 N N 0.621 119.260 118.700 -0.101 0.000 2.270 248 N HA -0.090 4.650 4.740 -0.000 0.000 0.181 248 N C 1.618 176.980 175.510 -0.247 0.000 1.016 248 N CA 1.415 54.398 53.050 -0.112 0.000 0.870 248 N CB -0.253 38.205 38.487 -0.049 0.000 0.979 248 N HN 0.373 nan 8.380 nan 0.000 0.431 249 T N -0.020 114.383 114.554 -0.251 0.000 3.007 249 T HA 0.040 4.390 4.350 -0.000 0.000 0.270 249 T C 0.738 175.158 174.700 -0.467 0.000 1.107 249 T CA 0.763 62.681 62.100 -0.302 0.000 1.118 249 T CB -0.081 68.675 68.868 -0.186 0.000 0.889 249 T HN 0.307 nan 8.240 nan 0.000 0.506 250 N N 0.283 118.665 118.700 -0.529 0.000 2.282 250 N HA 0.116 4.856 4.740 -0.000 0.000 0.240 250 N C -0.647 174.756 175.510 -0.178 0.000 1.182 250 N CA -0.117 52.685 53.050 -0.414 0.000 0.874 250 N CB 0.547 38.651 38.487 -0.637 0.000 1.126 250 N HN 0.293 nan 8.380 nan 0.000 0.516 251 Y N -0.123 120.170 120.300 -0.012 0.000 3.721 251 Y HA -0.322 4.228 4.550 -0.000 0.000 0.218 251 Y C 1.156 177.111 175.900 0.091 0.000 1.188 251 Y CA 0.511 58.651 58.100 0.066 0.000 1.607 251 Y CB -2.278 36.212 38.460 0.050 0.000 1.496 251 Y HN 0.246 nan 8.280 nan 0.000 0.626 252 A N -0.706 122.142 122.820 0.046 0.000 2.508 252 A HA 0.479 4.799 4.320 -0.000 0.000 0.257 252 A C 0.250 177.858 177.584 0.041 0.000 1.226 252 A CA -0.268 51.801 52.037 0.052 0.000 0.947 252 A CB 0.376 19.291 19.000 -0.141 0.000 1.079 252 A HN 0.235 nan 8.150 nan 0.000 0.531 253 L N 1.787 123.013 121.223 0.006 0.000 2.283 253 L HA 0.435 4.774 4.340 -0.000 0.000 0.287 253 L C -2.721 174.062 176.870 -0.144 0.000 1.073 253 L CA -2.198 52.620 54.840 -0.037 0.000 0.822 253 L CB 0.506 42.558 42.059 -0.013 0.000 1.186 253 L HN -0.116 nan 8.230 nan 0.000 0.436 254 P HA 0.054 nan 4.420 nan 0.000 0.257 254 P C -1.181 175.818 177.300 -0.501 0.000 1.189 254 P CA 0.441 63.124 63.100 -0.694 0.000 0.780 254 P CB 0.130 31.059 31.700 -1.285 0.000 0.772 255 T N 5.057 119.399 114.554 -0.353 0.000 2.815 255 T HA 0.355 4.705 4.350 -0.000 0.000 0.289 255 T C -0.087 174.411 174.700 -0.337 0.000 1.000 255 T CA -0.813 61.075 62.100 -0.353 0.000 0.958 255 T CB 0.601 69.350 68.868 -0.199 0.000 0.944 255 T HN 0.274 nan 8.240 nan 0.000 0.442 256 R N 2.723 122.940 120.500 -0.472 0.000 3.084 256 R HA -0.181 4.159 4.340 -0.000 0.000 0.258 256 R C -0.131 175.937 176.300 -0.387 0.000 0.914 256 R CA 0.136 55.730 56.100 -0.842 0.000 0.646 256 R CB -1.576 28.014 30.300 -1.185 0.000 1.330 256 R HN 0.866 nan 8.270 nan 0.000 0.465 257 N N 0.762 119.469 118.700 0.012 0.000 2.696 257 N HA -0.237 4.503 4.740 -0.000 0.000 0.256 257 N C -0.378 175.372 175.510 0.400 0.000 1.031 257 N CA 1.523 54.761 53.050 0.314 0.000 0.730 257 N CB -0.846 37.886 38.487 0.408 0.000 0.894 257 N HN 0.534 nan 8.380 nan 0.000 0.544 258 F N -2.174 117.807 119.950 0.051 0.000 3.079 258 F HA -0.322 4.205 4.527 -0.000 0.000 0.285 258 F C 1.911 177.856 175.800 0.241 0.000 0.819 258 F CA 1.173 59.258 58.000 0.143 0.000 1.067 258 F CB -2.134 36.959 39.000 0.154 0.000 1.263 258 F HN 0.388 nan 8.300 nan 0.000 0.458 259 S N -1.268 114.572 115.700 0.233 0.000 2.399 259 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 259 S C 0.837 175.577 174.600 0.233 0.000 1.022 259 S CA 1.709 60.031 58.200 0.203 0.000 0.983 259 S CB 0.046 63.244 63.200 -0.004 0.000 0.803 259 S HN 0.537 nan 8.310 nan 0.000 0.480 260 D N -2.867 117.651 120.400 0.197 0.000 2.610 260 D HA 0.581 5.220 4.640 -0.000 0.000 0.271 260 D C 0.250 176.689 176.300 0.232 0.000 1.174 260 D CA 0.034 54.148 54.000 0.191 0.000 0.949 260 D CB 1.313 42.191 40.800 0.131 0.000 1.430 260 D HN 0.075 nan 8.370 nan 0.000 0.467 261 G N -0.571 108.392 108.800 0.271 0.000 3.192 261 G HA2 0.161 4.121 3.960 -0.000 0.000 0.239 261 G HA3 0.161 4.121 3.960 -0.000 0.000 0.239 261 G C -0.628 174.420 174.900 0.246 0.000 1.084 261 G CA 0.078 45.332 45.100 0.258 0.000 0.784 261 G HN 0.302 nan 8.290 nan 0.000 0.540 262 Y N 0.246 120.630 120.300 0.140 0.000 2.425 262 Y HA 0.712 5.262 4.550 -0.000 0.000 0.344 262 Y C -2.086 173.904 175.900 0.150 0.000 0.969 262 Y CA -2.278 55.882 58.100 0.099 0.000 1.052 262 Y CB 1.891 40.449 38.460 0.162 0.000 1.215 262 Y HN -0.101 nan 8.280 nan 0.000 0.451 263 F N 7.108 126.574 119.950 -0.805 0.000 2.449 263 F HA 0.321 4.848 4.527 -0.000 0.000 0.342 263 F C 1.096 176.288 175.800 -1.014 0.000 1.127 263 F CA -1.740 55.863 58.000 -0.661 0.000 0.975 263 F CB 1.276 40.078 39.000 -0.331 0.000 1.146 263 F HN 0.743 nan 8.300 nan 0.000 0.444 264 E N 4.175 123.744 120.200 -1.051 0.000 2.160 264 E HA -0.230 4.119 4.350 -0.000 0.000 0.195 264 E C 0.357 176.221 176.600 -1.227 0.000 0.991 264 E CA 1.714 57.484 56.400 -1.051 0.000 0.810 264 E CB -0.486 28.616 29.700 -0.995 0.000 0.742 264 E HN 0.502 nan 8.360 nan 0.000 0.466 265 F N 0.673 119.881 119.950 -1.237 0.000 2.837 265 F HA 0.521 5.048 4.527 -0.000 0.000 0.298 265 F C 1.819 177.286 175.800 -0.555 0.000 1.161 265 F CA -0.309 57.180 58.000 -0.852 0.000 1.353 265 F CB 0.198 38.729 39.000 -0.781 0.000 0.951 265 F HN 0.029 nan 8.300 nan 0.000 0.508 266 A N 0.494 123.135 122.820 -0.298 0.000 1.940 266 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 266 A C 2.554 180.178 177.584 0.067 0.000 1.176 266 A CA 1.319 53.384 52.037 0.046 0.000 0.631 266 A CB -0.296 18.691 19.000 -0.022 0.000 0.814 266 A HN 0.249 nan 8.150 nan 0.000 0.446 267 R N 0.487 120.999 120.500 0.019 0.000 2.103 267 R HA -0.122 4.218 4.340 -0.000 0.000 0.242 267 R C 2.083 178.427 176.300 0.074 0.000 1.142 267 R CA 1.747 57.882 56.100 0.058 0.000 0.960 267 R CB -0.773 29.545 30.300 0.031 0.000 0.858 267 R HN 0.692 nan 8.270 nan 0.000 0.439 268 S N 0.564 116.302 115.700 0.063 0.000 2.701 268 S HA 0.059 4.528 4.470 -0.000 0.000 0.220 268 S C 1.512 176.147 174.600 0.058 0.000 0.954 268 S CA 0.203 58.432 58.200 0.048 0.000 0.936 268 S CB -0.431 62.778 63.200 0.015 0.000 0.777 268 S HN 0.537 nan 8.310 nan 0.000 0.518 269 I N -1.608 119.016 120.570 0.090 0.000 3.820 269 I HA 0.368 4.538 4.170 -0.000 0.000 0.323 269 I C -0.674 175.494 176.117 0.085 0.000 1.482 269 I CA -0.799 60.551 61.300 0.082 0.000 1.048 269 I CB 0.299 38.370 38.000 0.119 0.000 1.436 269 I HN 0.008 nan 8.210 nan 0.000 0.575 270 D N 1.118 121.576 120.400 0.095 0.000 2.478 270 D HA 0.316 4.955 4.640 -0.000 0.000 0.263 270 D C 1.433 177.766 176.300 0.055 0.000 1.153 270 D CA -0.004 54.060 54.000 0.107 0.000 1.038 270 D CB 1.255 42.153 40.800 0.164 0.000 1.120 270 D HN 0.017 nan 8.370 nan 0.000 0.564 271 G N -1.207 107.589 108.800 -0.006 0.000 2.471 271 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 271 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 271 G C 0.959 175.737 174.900 -0.202 0.000 1.125 271 G CA 0.516 45.521 45.100 -0.158 0.000 0.775 271 G HN 0.466 nan 8.290 nan 0.000 0.548 272 Y N 0.807 121.120 120.300 0.023 0.000 2.337 272 Y HA 0.024 4.574 4.550 -0.000 0.000 0.293 272 Y C 3.142 179.045 175.900 0.004 0.000 1.123 272 Y CA 1.422 59.538 58.100 0.027 0.000 1.201 272 Y CB -0.253 38.237 38.460 0.051 0.000 1.011 272 Y HN 0.111 nan 8.280 nan 0.000 0.545 273 T N 0.324 114.962 114.554 0.140 0.000 2.812 273 T HA -0.179 4.171 4.350 -0.000 0.000 0.264 273 T C 2.102 176.814 174.700 0.020 0.000 1.042 273 T CA 1.248 63.391 62.100 0.071 0.000 1.140 273 T CB -0.271 68.631 68.868 0.056 0.000 0.870 273 T HN 0.236 nan 8.240 nan 0.000 0.445 274 M N 1.458 121.052 119.600 -0.011 0.000 2.108 274 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 274 M C 2.024 178.287 176.300 -0.061 0.000 1.066 274 M CA 1.715 56.985 55.300 -0.049 0.000 1.107 274 M CB -0.622 31.927 32.600 -0.085 0.000 1.356 274 M HN 0.292 nan 8.290 nan 0.000 0.406 275 E N -0.543 119.618 120.200 -0.065 0.000 2.085 275 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 275 E C 1.712 178.298 176.600 -0.023 0.000 0.994 275 E CA 1.332 57.695 56.400 -0.062 0.000 0.801 275 E CB -0.393 29.283 29.700 -0.039 0.000 0.743 275 E HN 0.708 nan 8.360 nan 0.000 0.453 276 G N -0.349 108.455 108.800 0.007 0.000 2.776 276 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.209 276 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.209 276 G C 1.172 176.068 174.900 -0.006 0.000 1.145 276 G CA 0.061 45.166 45.100 0.009 0.000 0.791 276 G HN 0.122 nan 8.290 nan 0.000 0.530 277 M N -0.795 118.794 119.600 -0.019 0.000 2.306 277 M HA 0.265 4.744 4.480 -0.000 0.000 0.292 277 M C 0.733 177.013 176.300 -0.033 0.000 1.018 277 M CA -0.138 55.148 55.300 -0.024 0.000 1.007 277 M CB 0.881 33.465 32.600 -0.025 0.000 1.510 277 M HN -0.116 nan 8.290 nan 0.000 0.537 278 K N 1.508 121.882 120.400 -0.043 0.000 2.401 278 K HA 0.122 4.442 4.320 -0.000 0.000 0.278 278 K C 0.764 177.338 176.600 -0.042 0.000 1.018 278 K CA -0.010 56.245 56.287 -0.053 0.000 0.981 278 K CB 1.096 33.552 32.500 -0.073 0.000 0.933 278 K HN 0.117 nan 8.250 nan 0.000 0.477 279 V N -0.019 119.869 119.914 -0.042 0.000 3.480 279 V HA 0.239 4.359 4.120 -0.000 0.000 0.263 279 V C 0.139 176.210 176.094 -0.038 0.000 1.442 279 V CA -0.163 62.116 62.300 -0.034 0.000 1.053 279 V CB 0.420 32.227 31.823 -0.027 0.000 0.846 279 V HN 0.758 nan 8.190 nan 0.000 0.440 280 Q N 0.339 120.110 119.800 -0.048 0.000 2.482 280 Q HA 0.500 4.840 4.340 -0.000 0.000 0.286 280 Q C -1.990 173.972 176.000 -0.064 0.000 1.007 280 Q CA -0.497 55.275 55.803 -0.051 0.000 0.801 280 Q CB 2.877 31.585 28.738 -0.049 0.000 1.455 280 Q HN 0.533 nan 8.270 nan 0.000 0.398 281 Q N 2.300 122.063 119.800 -0.061 0.000 2.275 281 Q HA 0.488 4.828 4.340 -0.000 0.000 0.266 281 Q C -1.467 174.501 176.000 -0.053 0.000 1.002 281 Q CA -0.293 55.467 55.803 -0.071 0.000 0.761 281 Q CB 1.662 30.350 28.738 -0.084 0.000 1.255 281 Q HN 0.582 nan 8.270 nan 0.000 0.446 282 R N 1.260 121.729 120.500 -0.052 0.000 2.944 282 R HA 0.912 5.252 4.340 -0.000 0.000 0.233 282 R C -0.313 175.979 176.300 -0.014 0.000 1.346 282 R CA -0.580 55.499 56.100 -0.035 0.000 1.082 282 R CB 1.804 32.079 30.300 -0.043 0.000 1.434 282 R HN 0.703 nan 8.270 nan 0.000 0.510 283 G N -0.593 108.208 108.800 0.003 0.000 2.619 283 G HA2 0.430 4.390 3.960 -0.000 0.000 0.305 283 G HA3 0.430 4.390 3.960 -0.000 0.000 0.305 283 G C -1.170 173.752 174.900 0.036 0.000 1.330 283 G CA -0.601 44.520 45.100 0.035 0.000 0.789 283 G HN 0.612 nan 8.290 nan 0.000 0.487 284 C N -0.022 119.317 119.300 0.065 0.000 2.328 284 C HA 0.748 5.207 4.460 -0.000 0.000 0.378 284 C C -2.033 172.984 174.990 0.045 0.000 1.249 284 C CA -1.054 58.002 59.018 0.064 0.000 2.204 284 C CB 1.023 28.824 27.740 0.101 0.000 2.218 284 C HN 0.551 nan 8.230 nan 0.000 0.564 285 P HA 0.166 nan 4.420 nan 0.000 0.268 285 P C -0.789 176.543 177.300 0.053 0.000 1.205 285 P CA 0.340 63.378 63.100 -0.103 0.000 0.771 285 P CB -0.095 31.491 31.700 -0.190 0.000 0.858 286 Y N -1.981 118.370 120.300 0.084 0.000 4.177 286 Y HA -0.231 4.319 4.550 -0.000 0.000 0.227 286 Y C 0.577 176.607 175.900 0.216 0.000 1.154 286 Y CA 0.138 58.321 58.100 0.139 0.000 1.887 286 Y CB -2.162 36.400 38.460 0.170 0.000 1.594 286 Y HN 0.413 nan 8.280 nan 0.000 0.668 287 C N 2.067 121.514 119.300 0.245 0.000 2.298 287 C HA 0.482 4.942 4.460 -0.000 0.000 0.323 287 C C 1.357 176.446 174.990 0.165 0.000 1.284 287 C CA 0.032 59.197 59.018 0.245 0.000 1.577 287 C CB -0.491 27.367 27.740 0.197 0.000 2.249 287 C HN 0.656 nan 8.230 nan 0.000 0.497 288 N N 3.675 122.488 118.700 0.189 0.000 2.322 288 N HA 0.071 4.811 4.740 -0.000 0.000 0.194 288 N C 0.222 175.899 175.510 0.278 0.000 1.126 288 N CA -0.151 52.974 53.050 0.126 0.000 0.845 288 N CB 0.091 38.581 38.487 0.005 0.000 0.976 288 N HN 0.806 nan 8.380 nan 0.000 0.475 289 M N -1.129 118.652 119.600 0.301 0.000 3.124 289 M HA 0.531 5.011 4.480 -0.000 0.000 0.298 289 M C -2.996 173.508 176.300 0.339 0.000 1.403 289 M CA -1.806 53.717 55.300 0.372 0.000 0.651 289 M CB 0.840 33.663 32.600 0.373 0.000 1.412 289 M HN -0.261 nan 8.290 nan 0.000 0.477 290 P HA -0.018 nan 4.420 nan 0.000 0.266 290 P C 0.406 177.754 177.300 0.080 0.000 1.193 290 P CA 0.120 63.298 63.100 0.129 0.000 0.770 290 P CB 0.788 32.518 31.700 0.050 0.000 0.836 291 C N -0.333 118.994 119.300 0.045 0.000 3.626 291 C HA 0.470 4.930 4.460 -0.000 0.000 0.276 291 C C 0.978 175.880 174.990 -0.145 0.000 1.694 291 C CA -0.065 58.865 59.018 -0.147 0.000 1.785 291 C CB -0.471 27.271 27.740 0.003 0.000 3.152 291 C HN 0.566 nan 8.230 nan 0.000 0.571 292 G N 2.821 111.577 108.800 -0.073 0.000 2.770 292 G HA2 0.317 4.277 3.960 -0.000 0.000 0.307 292 G HA3 0.317 4.277 3.960 -0.000 0.000 0.307 292 G C -0.419 174.423 174.900 -0.097 0.000 0.863 292 G CA -0.095 44.965 45.100 -0.066 0.000 1.595 292 G HN 0.544 nan 8.290 nan 0.000 0.496 293 N N 1.399 120.021 118.700 -0.132 0.000 2.411 293 N HA 0.167 4.907 4.740 -0.000 0.000 0.259 293 N C -0.291 175.163 175.510 -0.094 0.000 1.103 293 N CA -0.070 52.899 53.050 -0.134 0.000 0.954 293 N CB 2.396 40.772 38.487 -0.185 0.000 1.085 293 N HN 0.072 nan 8.380 nan 0.000 0.485 294 V N 3.052 122.919 119.914 -0.080 0.000 2.394 294 V HA 0.351 4.471 4.120 -0.000 0.000 0.282 294 V C 0.785 176.848 176.094 -0.051 0.000 1.031 294 V CA -0.707 61.557 62.300 -0.060 0.000 0.881 294 V CB 1.290 33.078 31.823 -0.060 0.000 0.982 294 V HN 0.427 nan 8.190 nan 0.000 0.451 295 V N 3.517 123.408 119.914 -0.039 0.000 3.229 295 V HA 0.693 4.813 4.120 -0.000 0.000 0.310 295 V C -0.552 175.532 176.094 -0.017 0.000 1.206 295 V CA -1.080 61.201 62.300 -0.032 0.000 1.051 295 V CB 2.128 33.931 31.823 -0.033 0.000 1.183 295 V HN 0.579 nan 8.190 nan 0.000 0.466 296 L N 1.808 123.023 121.223 -0.014 0.000 2.322 296 L HA 0.543 4.883 4.340 -0.000 0.000 0.281 296 L C -0.548 176.319 176.870 -0.006 0.000 1.014 296 L CA -0.667 54.170 54.840 -0.005 0.000 0.815 296 L CB 1.699 43.754 42.059 -0.007 0.000 1.247 296 L HN 0.993 nan 8.230 nan 0.000 0.421 297 D N 2.015 122.419 120.400 0.007 0.000 2.440 297 D HA 0.204 4.844 4.640 -0.000 0.000 0.269 297 D C 1.095 177.388 176.300 -0.012 0.000 1.249 297 D CA -0.312 53.687 54.000 -0.001 0.000 1.055 297 D CB 0.697 41.513 40.800 0.026 0.000 1.104 297 D HN 0.471 nan 8.370 nan 0.000 0.561 298 A N -0.843 121.956 122.820 -0.035 0.000 2.076 298 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 298 A C 1.602 179.187 177.584 0.002 0.000 1.160 298 A CA 1.440 53.449 52.037 -0.046 0.000 0.653 298 A CB -0.787 18.145 19.000 -0.113 0.000 0.801 298 A HN 0.637 nan 8.150 nan 0.000 0.455 299 E N -1.940 118.277 120.200 0.029 0.000 2.476 299 E HA 0.335 4.684 4.350 -0.000 0.000 0.196 299 E C 0.986 177.604 176.600 0.030 0.000 1.029 299 E CA 0.247 56.671 56.400 0.040 0.000 0.896 299 E CB 0.151 29.889 29.700 0.063 0.000 1.012 299 E HN 0.671 nan 8.360 nan 0.000 0.475 300 G N 1.380 110.192 108.800 0.020 0.000 2.143 300 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.249 300 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.249 300 G C 0.122 175.036 174.900 0.023 0.000 0.981 300 G CA -0.084 45.026 45.100 0.016 0.000 0.665 300 G HN 0.114 nan 8.290 nan 0.000 0.528 301 Q N 0.506 120.327 119.800 0.035 0.000 2.222 301 Q HA 0.442 4.782 4.340 -0.000 0.000 0.252 301 Q C 0.460 176.487 176.000 0.044 0.000 0.926 301 Q CA -0.421 55.411 55.803 0.049 0.000 0.899 301 Q CB 1.143 29.924 28.738 0.073 0.000 1.250 301 Q HN 0.636 nan 8.270 nan 0.000 0.441 302 E N 0.628 120.852 120.200 0.040 0.000 2.398 302 E HA 0.224 4.574 4.350 -0.000 0.000 0.263 302 E C -0.614 176.014 176.600 0.046 0.000 1.046 302 E CA 0.199 56.611 56.400 0.018 0.000 0.908 302 E CB 0.797 30.488 29.700 -0.014 0.000 0.963 302 E HN 0.272 nan 8.360 nan 0.000 0.431 303 S N 1.690 117.405 115.700 0.024 0.000 2.603 303 S HA 0.097 4.567 4.470 -0.000 0.000 0.274 303 S C -1.276 173.328 174.600 0.008 0.000 1.168 303 S CA -0.685 57.542 58.200 0.045 0.000 0.963 303 S CB 1.218 64.446 63.200 0.047 0.000 1.078 303 S HN 0.455 nan 8.310 nan 0.000 0.477 304 E N 4.013 124.220 120.200 0.012 0.000 2.152 304 E HA 0.382 4.732 4.350 -0.000 0.000 0.285 304 E C -0.908 175.688 176.600 -0.007 0.000 1.043 304 E CA -0.245 56.147 56.400 -0.014 0.000 0.839 304 E CB 0.622 30.313 29.700 -0.015 0.000 1.069 304 E HN 0.535 nan 8.360 nan 0.000 0.399 305 L N 3.952 125.155 121.223 -0.034 0.000 2.322 305 L HA 0.481 4.821 4.340 -0.000 0.000 0.279 305 L C -0.019 176.822 176.870 -0.048 0.000 1.036 305 L CA -0.628 54.189 54.840 -0.038 0.000 0.807 305 L CB 1.359 43.389 42.059 -0.050 0.000 1.226 305 L HN 0.418 nan 8.230 nan 0.000 0.433 306 D N -0.258 120.121 120.400 -0.035 0.000 2.645 306 D HA 0.072 4.712 4.640 -0.000 0.000 0.228 306 D C 0.048 176.336 176.300 -0.020 0.000 1.148 306 D CA -0.480 53.509 54.000 -0.017 0.000 0.860 306 D CB 2.425 43.235 40.800 0.017 0.000 1.548 306 D HN 0.427 nan 8.370 nan 0.000 0.460 307 Y N 2.142 122.394 120.300 -0.080 0.000 2.069 307 Y HA -0.302 4.248 4.550 -0.000 0.000 0.278 307 Y C 2.032 177.877 175.900 -0.092 0.000 1.175 307 Y CA 2.268 60.315 58.100 -0.089 0.000 1.134 307 Y CB 0.072 38.475 38.460 -0.095 0.000 0.965 307 Y HN 0.437 nan 8.280 nan 0.000 0.498 308 E N 0.426 120.411 120.200 -0.358 0.000 2.130 308 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 308 E C 1.787 178.195 176.600 -0.320 0.000 0.998 308 E CA 1.803 57.962 56.400 -0.402 0.000 0.806 308 E CB -0.337 29.331 29.700 -0.054 0.000 0.738 308 E HN 0.592 nan 8.360 nan 0.000 0.459 309 N N -0.693 117.893 118.700 -0.190 0.000 2.142 309 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 309 N C 1.797 177.212 175.510 -0.160 0.000 1.023 309 N CA 1.258 54.234 53.050 -0.124 0.000 0.852 309 N CB -0.475 37.979 38.487 -0.055 0.000 0.998 309 N HN 0.067 nan 8.380 nan 0.000 0.424 310 V N 1.185 120.978 119.914 -0.201 0.000 2.427 310 V HA -0.090 4.029 4.120 -0.000 0.000 0.248 310 V C 2.325 178.274 176.094 -0.243 0.000 1.051 310 V CA 1.623 63.820 62.300 -0.173 0.000 1.048 310 V CB -0.932 30.820 31.823 -0.119 0.000 0.666 310 V HN 0.305 nan 8.190 nan 0.000 0.456 311 A N -0.216 122.339 122.820 -0.443 0.000 1.872 311 A HA -0.058 4.261 4.320 -0.000 0.000 0.214 311 A C 2.073 179.452 177.584 -0.341 0.000 1.187 311 A CA 1.290 53.052 52.037 -0.458 0.000 0.614 311 A CB -0.389 18.137 19.000 -0.788 0.000 0.826 311 A HN 0.377 nan 8.150 nan 0.000 0.442 312 L N -0.751 120.300 121.223 -0.287 0.000 2.313 312 L HA 0.111 4.450 4.340 -0.000 0.000 0.214 312 L C 1.981 178.785 176.870 -0.110 0.000 1.119 312 L CA 1.202 55.939 54.840 -0.171 0.000 0.809 312 L CB -0.972 41.019 42.059 -0.112 0.000 0.933 312 L HN 0.372 nan 8.230 nan 0.000 0.449 313 L N -2.039 119.119 121.223 -0.109 0.000 2.616 313 L HA 0.171 4.511 4.340 -0.000 0.000 0.229 313 L C 1.756 178.601 176.870 -0.042 0.000 1.110 313 L CA 0.284 55.096 54.840 -0.046 0.000 0.884 313 L CB 0.256 42.300 42.059 -0.024 0.000 1.115 313 L HN 0.222 nan 8.230 nan 0.000 0.481 314 G N -0.447 108.287 108.800 -0.110 0.000 2.508 314 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.217 314 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.217 314 G C 1.418 176.146 174.900 -0.287 0.000 2.004 314 G CA 0.723 45.754 45.100 -0.115 0.000 0.750 314 G HN 0.211 nan 8.290 nan 0.000 0.730 315 S N 0.973 116.395 115.700 -0.463 0.000 2.419 315 S HA -0.186 4.283 4.470 -0.000 0.000 0.235 315 S C 1.929 176.084 174.600 -0.742 0.000 1.019 315 S CA 1.942 59.511 58.200 -1.052 0.000 0.982 315 S CB -0.471 62.267 63.200 -0.770 0.000 0.789 315 S HN 0.396 nan 8.310 nan 0.000 0.490 316 N N 1.231 119.673 118.700 -0.430 0.000 2.381 316 N HA 0.085 4.825 4.740 -0.000 0.000 0.182 316 N C 1.309 176.748 175.510 -0.119 0.000 1.025 316 N CA 0.988 53.860 53.050 -0.296 0.000 0.888 316 N CB -0.363 37.991 38.487 -0.221 0.000 0.965 316 N HN 0.537 nan 8.380 nan 0.000 0.438 317 L N -1.533 119.643 121.223 -0.079 0.000 2.640 317 L HA 0.352 4.692 4.340 -0.000 0.000 0.230 317 L C 0.987 177.968 176.870 0.184 0.000 1.123 317 L CA 0.268 55.193 54.840 0.141 0.000 0.900 317 L CB -0.123 41.997 42.059 0.101 0.000 1.146 317 L HN 0.251 nan 8.230 nan 0.000 0.484 318 G N 1.731 110.474 108.800 -0.095 0.000 2.198 318 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 318 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 318 G C -0.031 175.024 174.900 0.259 0.000 1.042 318 G CA -0.051 45.067 45.100 0.029 0.000 0.791 318 G HN 0.318 nan 8.290 nan 0.000 0.502 319 I N 0.925 121.585 120.570 0.150 0.000 2.328 319 I HA 0.472 4.642 4.170 -0.000 0.000 0.287 319 I C 1.456 177.753 176.117 0.301 0.000 1.012 319 I CA 0.117 61.541 61.300 0.206 0.000 1.195 319 I CB 1.535 39.616 38.000 0.135 0.000 1.350 319 I HN 0.083 nan 8.210 nan 0.000 0.464 320 G N 5.752 114.735 108.800 0.305 0.000 3.042 320 G HA2 0.095 4.055 3.960 -0.000 0.000 0.212 320 G HA3 0.095 4.055 3.960 -0.000 0.000 0.212 320 G C 0.522 175.452 174.900 0.050 0.000 1.166 320 G CA -0.132 45.122 45.100 0.257 0.000 0.767 320 G HN 0.423 nan 8.290 nan 0.000 0.546 321 K N 0.558 120.943 120.400 -0.026 0.000 2.293 321 K HA 0.336 4.656 4.320 -0.000 0.000 0.267 321 K C 0.483 177.039 176.600 -0.074 0.000 1.010 321 K CA -0.747 55.490 56.287 -0.082 0.000 0.875 321 K CB 2.271 34.674 32.500 -0.161 0.000 1.106 321 K HN -0.038 nan 8.250 nan 0.000 0.450 322 L N 3.886 125.085 121.223 -0.040 0.000 2.127 322 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 322 L C 1.747 178.577 176.870 -0.066 0.000 1.089 322 L CA 1.932 56.751 54.840 -0.035 0.000 0.757 322 L CB -0.427 41.622 42.059 -0.015 0.000 0.899 322 L HN 0.742 nan 8.230 nan 0.000 0.434 323 N N -0.968 117.676 118.700 -0.093 0.000 2.331 323 N HA -0.195 4.545 4.740 -0.000 0.000 0.180 323 N C 1.447 176.857 175.510 -0.167 0.000 1.019 323 N CA 1.595 54.584 53.050 -0.103 0.000 0.881 323 N CB -0.539 37.890 38.487 -0.096 0.000 0.972 323 N HN 0.543 nan 8.380 nan 0.000 0.435 324 E N -0.084 119.937 120.200 -0.299 0.000 2.250 324 E HA 0.068 4.418 4.350 -0.000 0.000 0.192 324 E C 1.574 178.029 176.600 -0.241 0.000 0.986 324 E CA 0.300 56.328 56.400 -0.620 0.000 0.849 324 E CB 0.263 29.285 29.700 -1.130 0.000 0.797 324 E HN 0.131 nan 8.360 nan 0.000 0.482 325 V N 0.871 120.723 119.914 -0.104 0.000 2.719 325 V HA -0.148 3.972 4.120 -0.000 0.000 0.252 325 V C 2.149 178.260 176.094 0.028 0.000 1.065 325 V CA 1.320 63.625 62.300 0.009 0.000 1.086 325 V CB -0.016 31.801 31.823 -0.010 0.000 0.700 325 V HN 0.171 nan 8.190 nan 0.000 0.467 326 S N -0.329 115.372 115.700 0.000 0.000 2.402 326 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 326 S C 1.960 176.596 174.600 0.060 0.000 1.021 326 S CA 1.162 59.373 58.200 0.019 0.000 0.974 326 S CB 0.045 63.243 63.200 -0.002 0.000 0.800 326 S HN 0.386 nan 8.310 nan 0.000 0.484 327 V N 2.302 122.273 119.914 0.095 0.000 2.229 327 V HA -0.167 3.953 4.120 -0.000 0.000 0.243 327 V C 2.188 178.364 176.094 0.136 0.000 1.042 327 V CA 1.655 64.046 62.300 0.151 0.000 1.000 327 V CB -0.806 31.194 31.823 0.295 0.000 0.637 327 V HN 0.431 nan 8.190 nan 0.000 0.446 328 L N 0.385 121.716 121.223 0.179 0.000 2.034 328 L HA -0.317 4.023 4.340 -0.000 0.000 0.217 328 L C 2.402 179.311 176.870 0.066 0.000 1.077 328 L CA 2.458 57.366 54.840 0.114 0.000 0.769 328 L CB -0.985 41.150 42.059 0.127 0.000 0.890 328 L HN 0.491 nan 8.230 nan 0.000 0.435 329 N N 0.253 118.992 118.700 0.064 0.000 2.069 329 N HA -0.248 4.492 4.740 -0.000 0.000 0.191 329 N C 1.999 177.548 175.510 0.065 0.000 1.031 329 N CA 1.502 54.582 53.050 0.050 0.000 0.852 329 N CB -0.113 38.398 38.487 0.040 0.000 1.018 329 N HN 0.146 nan 8.380 nan 0.000 0.423 330 R N 0.250 120.798 120.500 0.080 0.000 2.091 330 R HA -0.061 4.279 4.340 -0.000 0.000 0.238 330 R C 2.055 178.350 176.300 -0.008 0.000 1.136 330 R CA 1.456 57.616 56.100 0.100 0.000 0.959 330 R CB -0.343 30.027 30.300 0.117 0.000 0.856 330 R HN 0.350 nan 8.270 nan 0.000 0.437 331 I N 0.785 121.348 120.570 -0.012 0.000 2.286 331 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 331 I C 2.524 178.589 176.117 -0.087 0.000 1.115 331 I CA 1.255 62.517 61.300 -0.063 0.000 1.392 331 I CB -0.368 37.617 38.000 -0.024 0.000 1.065 331 I HN 0.319 nan 8.210 nan 0.000 0.418 332 A N 0.234 123.035 122.820 -0.033 0.000 1.969 332 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 332 A C 1.903 179.466 177.584 -0.034 0.000 1.169 332 A CA 1.825 53.850 52.037 -0.019 0.000 0.635 332 A CB -0.419 18.595 19.000 0.023 0.000 0.810 332 A HN 0.309 nan 8.150 nan 0.000 0.445 333 D N -0.083 120.302 120.400 -0.025 0.000 2.103 333 D HA -0.112 4.527 4.640 -0.000 0.000 0.199 333 D C 2.140 178.287 176.300 -0.255 0.000 0.978 333 D CA 1.547 55.557 54.000 0.016 0.000 0.829 333 D CB -0.327 40.641 40.800 0.279 0.000 0.981 333 D HN 0.815 nan 8.370 nan 0.000 0.464 334 E N -0.142 119.694 120.200 -0.607 0.000 2.216 334 E HA -0.080 4.269 4.350 -0.000 0.000 0.192 334 E C 1.546 177.908 176.600 -0.397 0.000 0.988 334 E CA 0.562 56.474 56.400 -0.814 0.000 0.834 334 E CB -0.113 29.034 29.700 -0.923 0.000 0.772 334 E HN 0.111 nan 8.360 nan 0.000 0.479 335 M N 0.504 119.930 119.600 -0.290 0.000 2.558 335 M HA 0.135 4.615 4.480 -0.000 0.000 0.255 335 M C 1.086 177.261 176.300 -0.208 0.000 1.113 335 M CA 0.950 56.089 55.300 -0.268 0.000 1.097 335 M CB -0.418 32.024 32.600 -0.264 0.000 1.426 335 M HN 0.346 nan 8.290 nan 0.000 0.488 336 G N 3.158 111.871 108.800 -0.145 0.000 2.324 336 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.292 336 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.292 336 G C -0.090 174.785 174.900 -0.043 0.000 1.079 336 G CA 0.574 45.631 45.100 -0.073 0.000 1.026 336 G HN 0.555 nan 8.290 nan 0.000 0.506 337 M N -1.150 118.446 119.600 -0.007 0.000 2.446 337 M HA 0.639 5.118 4.480 -0.000 0.000 0.294 337 M C -0.549 175.825 176.300 0.122 0.000 1.158 337 M CA -1.258 54.081 55.300 0.065 0.000 0.899 337 M CB 1.810 34.446 32.600 0.061 0.000 1.687 337 M HN 0.006 nan 8.290 nan 0.000 0.455 338 D N 2.306 122.822 120.400 0.193 0.000 2.531 338 D HA 0.037 4.677 4.640 -0.000 0.000 0.239 338 D C 1.189 177.527 176.300 0.063 0.000 1.144 338 D CA 0.862 54.940 54.000 0.129 0.000 0.869 338 D CB 1.330 42.210 40.800 0.133 0.000 1.160 338 D HN 0.789 nan 8.370 nan 0.000 0.484 339 T N 1.655 116.230 114.554 0.035 0.000 2.821 339 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 339 T C 2.160 176.834 174.700 -0.043 0.000 1.046 339 T CA 0.767 62.868 62.100 0.001 0.000 1.139 339 T CB -0.294 68.575 68.868 0.001 0.000 0.871 339 T HN 0.493 nan 8.240 nan 0.000 0.454 340 I N 1.391 121.934 120.570 -0.045 0.000 2.163 340 I HA -0.123 4.047 4.170 -0.000 0.000 0.240 340 I C 2.951 178.993 176.117 -0.126 0.000 1.081 340 I CA 1.226 62.488 61.300 -0.063 0.000 1.353 340 I CB -0.456 37.523 38.000 -0.035 0.000 1.054 340 I HN 0.214 nan 8.210 nan 0.000 0.407 341 S N 0.647 116.215 115.700 -0.219 0.000 2.423 341 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 341 S C 1.816 175.970 174.600 -0.744 0.000 1.014 341 S CA 0.953 58.870 58.200 -0.472 0.000 0.965 341 S CB -0.281 62.578 63.200 -0.568 0.000 0.785 341 S HN 0.292 nan 8.310 nan 0.000 0.495 342 L N 2.000 122.899 121.223 -0.540 0.000 2.005 342 L HA 0.101 4.441 4.340 -0.000 0.000 0.207 342 L C 2.269 179.060 176.870 -0.131 0.000 1.072 342 L CA 2.152 56.821 54.840 -0.285 0.000 0.744 342 L CB -1.341 40.714 42.059 -0.008 0.000 0.895 342 L HN 0.267 nan 8.230 nan 0.000 0.433 343 G N -0.929 107.819 108.800 -0.087 0.000 2.422 343 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 343 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 343 G C 1.470 176.375 174.900 0.010 0.000 1.146 343 G CA 1.119 46.203 45.100 -0.027 0.000 0.769 343 G HN 0.358 nan 8.290 nan 0.000 0.547 344 V N 1.121 121.024 119.914 -0.018 0.000 2.358 344 V HA -0.158 3.961 4.120 -0.000 0.000 0.246 344 V C 3.088 179.217 176.094 0.059 0.000 1.047 344 V CA 2.160 64.494 62.300 0.057 0.000 1.035 344 V CB -0.503 31.329 31.823 0.015 0.000 0.658 344 V HN 0.367 nan 8.190 nan 0.000 0.452 345 S N 0.190 115.863 115.700 -0.046 0.000 2.368 345 S HA -0.075 4.394 4.470 -0.000 0.000 0.225 345 S C 1.916 176.579 174.600 0.105 0.000 1.030 345 S CA 1.537 59.745 58.200 0.012 0.000 0.999 345 S CB -0.320 62.859 63.200 -0.034 0.000 0.844 345 S HN 0.505 nan 8.310 nan 0.000 0.459 346 I N 1.900 122.512 120.570 0.070 0.000 2.226 346 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 346 I C 2.745 178.920 176.117 0.096 0.000 1.100 346 I CA 1.134 62.478 61.300 0.074 0.000 1.374 346 I CB -0.624 37.404 38.000 0.047 0.000 1.057 346 I HN 0.273 nan 8.210 nan 0.000 0.413 347 A N 0.058 122.971 122.820 0.155 0.000 2.019 347 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 347 A C 2.144 179.900 177.584 0.286 0.000 1.164 347 A CA 1.864 54.057 52.037 0.260 0.000 0.644 347 A CB -0.930 18.265 19.000 0.325 0.000 0.805 347 A HN 0.507 nan 8.150 nan 0.000 0.449 348 H N -0.725 118.463 119.070 0.197 0.000 2.357 348 H HA -0.041 4.515 4.556 -0.000 0.000 0.301 348 H C 1.880 177.350 175.328 0.238 0.000 1.082 348 H CA 1.878 58.093 56.048 0.278 0.000 1.342 348 H CB -0.091 29.765 29.762 0.156 0.000 1.389 348 H HN 0.119 nan 8.280 nan 0.000 0.511 349 V N 0.464 120.497 119.914 0.199 0.000 2.332 349 V HA -0.322 3.797 4.120 -0.000 0.000 0.248 349 V C 2.474 178.531 176.094 -0.061 0.000 1.055 349 V CA 2.144 64.494 62.300 0.083 0.000 1.038 349 V CB -0.511 31.350 31.823 0.063 0.000 0.651 349 V HN 0.505 nan 8.190 nan 0.000 0.450 350 M N -0.610 118.878 119.600 -0.187 0.000 2.067 350 M HA -0.233 4.247 4.480 -0.000 0.000 0.260 350 M C 2.283 178.242 176.300 -0.569 0.000 1.069 350 M CA 2.374 57.360 55.300 -0.523 0.000 1.117 350 M CB -0.469 31.520 32.600 -1.017 0.000 1.334 350 M HN 0.367 nan 8.290 nan 0.000 0.407 351 E N 0.354 120.313 120.200 -0.402 0.000 2.058 351 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 351 E C 1.873 178.304 176.600 -0.283 0.000 0.997 351 E CA 1.604 57.844 56.400 -0.266 0.000 0.801 351 E CB -0.063 29.439 29.700 -0.329 0.000 0.746 351 E HN 0.465 nan 8.360 nan 0.000 0.450 352 A N 0.318 123.082 122.820 -0.093 0.000 1.908 352 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 352 A C 2.446 180.019 177.584 -0.019 0.000 1.181 352 A CA 1.654 53.727 52.037 0.060 0.000 0.627 352 A CB -0.780 18.304 19.000 0.140 0.000 0.818 352 A HN 0.253 nan 8.150 nan 0.000 0.445 353 V N 0.327 120.197 119.914 -0.072 0.000 2.343 353 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 353 V C 2.343 178.392 176.094 -0.075 0.000 1.051 353 V CA 2.160 64.418 62.300 -0.071 0.000 1.036 353 V CB -0.715 31.047 31.823 -0.103 0.000 0.654 353 V HN 0.633 nan 8.190 nan 0.000 0.451 354 E N -0.272 119.859 120.200 -0.114 0.000 2.274 354 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 354 E C 2.040 178.613 176.600 -0.046 0.000 0.996 354 E CA 0.414 56.773 56.400 -0.067 0.000 0.840 354 E CB -0.066 29.607 29.700 -0.045 0.000 0.772 354 E HN 0.514 nan 8.360 nan 0.000 0.491 355 R N -0.188 120.272 120.500 -0.066 0.000 2.317 355 R HA 0.062 4.402 4.340 -0.000 0.000 0.208 355 R C 1.117 177.416 176.300 -0.002 0.000 0.914 355 R CA 0.589 56.664 56.100 -0.042 0.000 1.060 355 R CB 0.617 30.873 30.300 -0.073 0.000 1.015 355 R HN 0.243 nan 8.270 nan 0.000 0.498 356 G N 1.399 110.197 108.800 -0.003 0.000 2.184 356 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.264 356 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.264 356 G C 0.848 175.764 174.900 0.026 0.000 0.975 356 G CA 0.371 45.477 45.100 0.010 0.000 0.642 356 G HN 0.358 nan 8.290 nan 0.000 0.536 357 I N -0.311 120.284 120.570 0.042 0.000 2.439 357 I HA 0.134 4.303 4.170 -0.000 0.000 0.251 357 I C 1.267 177.416 176.117 0.054 0.000 1.139 357 I CA 0.941 62.281 61.300 0.067 0.000 1.438 357 I CB 0.009 38.083 38.000 0.123 0.000 1.085 357 I HN 0.130 nan 8.210 nan 0.000 0.427 358 L N 1.332 122.578 121.223 0.039 0.000 2.319 358 L HA 0.250 4.590 4.340 -0.000 0.000 0.281 358 L C 0.949 177.827 176.870 0.013 0.000 1.005 358 L CA -0.541 54.316 54.840 0.029 0.000 0.828 358 L CB 1.600 43.676 42.059 0.028 0.000 1.227 358 L HN -0.044 nan 8.230 nan 0.000 0.415 359 K N 1.950 122.358 120.400 0.013 0.000 2.283 359 K HA 0.015 4.335 4.320 -0.000 0.000 0.202 359 K C -0.106 176.494 176.600 0.000 0.000 1.048 359 K CA 0.888 57.180 56.287 0.007 0.000 0.948 359 K CB 0.183 32.689 32.500 0.009 0.000 0.742 359 K HN 0.597 nan 8.250 nan 0.000 0.458 360 E N -0.494 119.706 120.200 -0.000 0.000 2.331 360 E HA 0.590 4.939 4.350 -0.000 0.000 0.275 360 E C -0.196 176.397 176.600 -0.011 0.000 0.895 360 E CA -0.781 55.616 56.400 -0.006 0.000 0.753 360 E CB 2.436 32.134 29.700 -0.003 0.000 1.216 360 E HN 0.119 nan 8.360 nan 0.000 0.434 361 G N 1.908 110.695 108.800 -0.022 0.000 2.368 361 G HA2 0.130 4.090 3.960 -0.000 0.000 0.302 361 G HA3 0.130 4.090 3.960 -0.000 0.000 0.302 361 G C -3.113 171.756 174.900 -0.051 0.000 1.329 361 G CA -0.951 44.131 45.100 -0.030 0.000 0.935 361 G HN 0.371 nan 8.290 nan 0.000 0.590 362 P HA 0.544 nan 4.420 nan 0.000 0.277 362 P C 0.027 177.238 177.300 -0.150 0.000 1.271 362 P CA 0.083 63.132 63.100 -0.086 0.000 0.795 362 P CB 1.238 32.892 31.700 -0.076 0.000 1.101 363 T N -3.372 111.090 114.554 -0.154 0.000 2.887 363 T HA 0.568 4.918 4.350 -0.000 0.000 0.292 363 T C -0.145 174.425 174.700 -0.217 0.000 1.087 363 T CA -0.720 61.229 62.100 -0.251 0.000 1.009 363 T CB 0.252 69.053 68.868 -0.110 0.000 1.203 363 T HN 0.034 nan 8.240 nan 0.000 0.518 364 F N 1.439 121.409 119.950 0.034 0.000 2.608 364 F HA 0.402 4.929 4.527 -0.000 0.000 0.380 364 F C 1.958 177.805 175.800 0.077 0.000 1.083 364 F CA 1.393 59.423 58.000 0.049 0.000 1.266 364 F CB -0.373 38.657 39.000 0.050 0.000 1.076 364 F HN 1.156 nan 8.300 nan 0.000 0.574 365 G N 1.700 110.669 108.800 0.282 0.000 2.268 365 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.240 365 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.240 365 G C 0.188 175.189 174.900 0.169 0.000 1.010 365 G CA 0.012 45.244 45.100 0.219 0.000 0.618 365 G HN 0.709 nan 8.290 nan 0.000 0.516 366 D N 0.515 120.986 120.400 0.119 0.000 2.357 366 D HA 0.310 4.950 4.640 -0.000 0.000 0.265 366 D C 1.108 177.472 176.300 0.106 0.000 1.334 366 D CA -0.463 53.588 54.000 0.085 0.000 0.984 366 D CB -0.325 40.485 40.800 0.017 0.000 1.077 366 D HN 0.173 nan 8.370 nan 0.000 0.514 367 F N 4.264 124.226 119.950 0.020 0.000 2.234 367 F HA 0.072 4.599 4.527 -0.000 0.000 0.296 367 F C 1.843 177.650 175.800 0.010 0.000 1.089 367 F CA 0.968 58.978 58.000 0.016 0.000 1.343 367 F CB 0.189 39.197 39.000 0.013 0.000 1.040 367 F HN 0.214 nan 8.300 nan 0.000 0.498 368 K N 0.045 120.234 120.400 -0.353 0.000 2.103 368 K HA 0.037 4.357 4.320 -0.000 0.000 0.204 368 K C 2.320 178.744 176.600 -0.294 0.000 1.052 368 K CA 1.167 57.200 56.287 -0.424 0.000 0.945 368 K CB -0.806 31.604 32.500 -0.149 0.000 0.722 368 K HN 0.379 nan 8.250 nan 0.000 0.443 369 G N -0.121 108.578 108.800 -0.168 0.000 2.484 369 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 369 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 369 G C 1.430 176.260 174.900 -0.117 0.000 1.130 369 G CA 0.760 45.792 45.100 -0.114 0.000 0.784 369 G HN 0.344 nan 8.290 nan 0.000 0.543 370 A N 0.783 123.516 122.820 -0.144 0.000 1.874 370 A HA 0.113 4.433 4.320 -0.000 0.000 0.214 370 A C 2.166 179.673 177.584 -0.129 0.000 1.189 370 A CA 1.858 53.838 52.037 -0.096 0.000 0.615 370 A CB -0.370 18.612 19.000 -0.031 0.000 0.830 370 A HN 0.324 nan 8.150 nan 0.000 0.443 371 K N -0.858 119.378 120.400 -0.274 0.000 2.063 371 K HA -0.257 4.063 4.320 -0.000 0.000 0.208 371 K C 2.280 178.798 176.600 -0.138 0.000 1.048 371 K CA 1.851 57.992 56.287 -0.243 0.000 0.928 371 K CB -0.121 32.099 32.500 -0.465 0.000 0.713 371 K HN 0.386 nan 8.250 nan 0.000 0.442 372 Q N 0.948 120.662 119.800 -0.142 0.000 2.084 372 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 372 Q C 1.890 177.869 176.000 -0.035 0.000 0.978 372 Q CA 1.369 57.125 55.803 -0.077 0.000 0.844 372 Q CB -0.359 28.332 28.738 -0.078 0.000 0.898 372 Q HN 0.347 nan 8.270 nan 0.000 0.426 373 L N -0.079 121.121 121.223 -0.038 0.000 2.217 373 L HA 0.119 4.459 4.340 -0.000 0.000 0.211 373 L C 1.897 178.773 176.870 0.010 0.000 1.107 373 L CA 1.945 56.780 54.840 -0.007 0.000 0.783 373 L CB -0.970 41.085 42.059 -0.007 0.000 0.919 373 L HN 0.213 nan 8.230 nan 0.000 0.442 374 A N -0.782 122.037 122.820 -0.002 0.000 1.968 374 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 374 A C 2.200 179.784 177.584 0.001 0.000 1.169 374 A CA 1.613 53.656 52.037 0.010 0.000 0.638 374 A CB -0.597 18.404 19.000 0.002 0.000 0.812 374 A HN 0.478 nan 8.150 nan 0.000 0.446 375 L N -0.894 120.339 121.223 0.017 0.000 2.209 375 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 375 L C 1.632 178.590 176.870 0.146 0.000 1.094 375 L CA 0.851 55.738 54.840 0.079 0.000 0.790 375 L CB -0.386 41.737 42.059 0.107 0.000 0.932 375 L HN 0.208 nan 8.230 nan 0.000 0.447 376 D N 0.124 120.573 120.400 0.083 0.000 2.269 376 D HA -0.074 4.566 4.640 -0.000 0.000 0.208 376 D C 2.199 178.533 176.300 0.057 0.000 0.963 376 D CA 1.025 55.074 54.000 0.081 0.000 0.864 376 D CB 0.218 41.041 40.800 0.039 0.000 0.936 376 D HN 0.289 nan 8.370 nan 0.000 0.505 377 I N 0.582 121.166 120.570 0.023 0.000 2.339 377 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 377 I C 2.360 178.425 176.117 -0.086 0.000 1.096 377 I CA 0.617 61.911 61.300 -0.010 0.000 1.408 377 I CB -0.081 37.936 38.000 0.028 0.000 1.092 377 I HN -0.101 nan 8.210 nan 0.000 0.423 378 A N 0.127 122.858 122.820 -0.149 0.000 1.986 378 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 378 A C 1.679 178.994 177.584 -0.449 0.000 1.171 378 A CA 1.811 53.638 52.037 -0.350 0.000 0.640 378 A CB -0.762 17.939 19.000 -0.498 0.000 0.811 378 A HN 0.540 nan 8.150 nan 0.000 0.451 379 Y N -1.659 118.604 120.300 -0.061 0.000 2.507 379 Y HA 0.310 4.860 4.550 -0.000 0.000 0.254 379 Y C 0.561 176.436 175.900 -0.042 0.000 1.171 379 Y CA -0.398 57.670 58.100 -0.054 0.000 1.238 379 Y CB 0.121 38.552 38.460 -0.048 0.000 1.148 379 Y HN 0.261 nan 8.280 nan 0.000 0.525 380 R N 0.952 121.485 120.500 0.056 0.000 3.251 380 R HA -0.227 4.113 4.340 -0.000 0.000 0.249 380 R C -0.589 175.741 176.300 0.050 0.000 0.949 380 R CA 0.568 56.687 56.100 0.031 0.000 0.645 380 R CB -1.546 28.760 30.300 0.010 0.000 1.065 380 R HN 0.335 nan 8.270 nan 0.000 0.452 381 K N 0.966 121.404 120.400 0.063 0.000 2.227 381 K HA 0.390 4.709 4.320 -0.000 0.000 0.280 381 K C 0.861 177.476 176.600 0.025 0.000 1.041 381 K CA 0.594 56.906 56.287 0.043 0.000 0.905 381 K CB 1.502 34.028 32.500 0.045 0.000 1.068 381 K HN 0.448 nan 8.250 nan 0.000 0.470 382 G N 2.294 111.103 108.800 0.015 0.000 2.880 382 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.617 382 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.617 382 G C 0.512 175.420 174.900 0.012 0.000 1.493 382 G CA -0.217 44.889 45.100 0.011 0.000 0.916 382 G HN 0.790 nan 8.290 nan 0.000 0.553 383 E N -0.716 119.490 120.200 0.011 0.000 2.051 383 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 383 E C 2.705 179.315 176.600 0.017 0.000 0.991 383 E CA 1.477 57.884 56.400 0.012 0.000 0.799 383 E CB -0.070 29.637 29.700 0.012 0.000 0.748 383 E HN 0.448 nan 8.360 nan 0.000 0.449 384 L N 0.276 121.511 121.223 0.019 0.000 1.994 384 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 384 L C 2.218 179.106 176.870 0.030 0.000 1.071 384 L CA 2.273 57.128 54.840 0.026 0.000 0.745 384 L CB -0.937 41.135 42.059 0.022 0.000 0.892 384 L HN 0.137 nan 8.230 nan 0.000 0.431 385 G N -0.875 107.940 108.800 0.025 0.000 2.462 385 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 385 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 385 G C 1.541 176.453 174.900 0.020 0.000 1.121 385 G CA 0.801 45.917 45.100 0.028 0.000 0.758 385 G HN 0.468 nan 8.290 nan 0.000 0.559 386 N N -0.230 118.479 118.700 0.015 0.000 2.300 386 N HA -0.007 4.733 4.740 -0.000 0.000 0.179 386 N C 2.069 177.583 175.510 0.006 0.000 1.016 386 N CA 0.526 53.578 53.050 0.004 0.000 0.876 386 N CB 0.049 38.538 38.487 0.004 0.000 0.979 386 N HN 0.263 nan 8.380 nan 0.000 0.432 387 L N 1.506 122.741 121.223 0.019 0.000 2.044 387 L HA 0.058 4.398 4.340 -0.000 0.000 0.205 387 L C 2.202 179.096 176.870 0.040 0.000 1.075 387 L CA 1.493 56.348 54.840 0.025 0.000 0.747 387 L CB -0.908 41.171 42.059 0.033 0.000 0.903 387 L HN 0.026 nan 8.230 nan 0.000 0.435 388 A N -0.428 122.429 122.820 0.061 0.000 2.024 388 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 388 A C 2.240 179.917 177.584 0.155 0.000 1.164 388 A CA 1.431 53.532 52.037 0.107 0.000 0.643 388 A CB -1.079 17.987 19.000 0.109 0.000 0.806 388 A HN 0.541 nan 8.150 nan 0.000 0.451 389 A N -0.729 122.120 122.820 0.048 0.000 2.239 389 A HA 0.066 4.386 4.320 -0.000 0.000 0.209 389 A C 1.349 178.854 177.584 -0.132 0.000 1.171 389 A CA 0.910 52.890 52.037 -0.095 0.000 0.768 389 A CB -0.164 18.759 19.000 -0.129 0.000 0.790 389 A HN 0.426 nan 8.150 nan 0.000 0.478 390 E N -0.523 119.686 120.200 0.015 0.000 2.498 390 E HA 0.322 4.672 4.350 -0.000 0.000 0.203 390 E C 0.880 177.536 176.600 0.093 0.000 1.013 390 E CA 0.591 57.000 56.400 0.015 0.000 0.927 390 E CB 0.103 29.801 29.700 -0.005 0.000 1.012 390 E HN 0.686 nan 8.360 nan 0.000 0.482 391 G N 0.916 109.866 108.800 0.250 0.000 2.746 391 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.685 391 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.685 391 G C 0.849 175.725 174.900 -0.040 0.000 1.350 391 G CA -0.282 44.914 45.100 0.160 0.000 0.837 391 G HN 0.169 nan 8.290 nan 0.000 0.564 392 V N -1.283 118.539 119.914 -0.153 0.000 2.548 392 V HA 0.046 4.166 4.120 -0.000 0.000 0.249 392 V C 2.653 178.559 176.094 -0.314 0.000 1.055 392 V CA 2.631 64.734 62.300 -0.328 0.000 1.065 392 V CB -0.716 30.895 31.823 -0.355 0.000 0.681 392 V HN 0.962 nan 8.190 nan 0.000 0.462 393 K N 1.297 121.491 120.400 -0.342 0.000 2.009 393 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 393 K C 2.257 178.759 176.600 -0.162 0.000 1.049 393 K CA 1.983 58.045 56.287 -0.375 0.000 0.929 393 K CB -0.580 31.544 32.500 -0.626 0.000 0.714 393 K HN 0.525 nan 8.250 nan 0.000 0.440 394 A N 1.196 123.939 122.820 -0.128 0.000 1.930 394 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 394 A C 2.147 179.697 177.584 -0.057 0.000 1.175 394 A CA 1.723 53.720 52.037 -0.066 0.000 0.627 394 A CB -0.509 18.465 19.000 -0.043 0.000 0.815 394 A HN 0.563 nan 8.150 nan 0.000 0.443 395 M N -0.396 119.155 119.600 -0.082 0.000 2.132 395 M HA -0.060 4.419 4.480 -0.000 0.000 0.263 395 M C 2.176 178.444 176.300 -0.054 0.000 1.065 395 M CA 1.580 56.845 55.300 -0.059 0.000 1.122 395 M CB -0.178 32.379 32.600 -0.072 0.000 1.365 395 M HN 0.387 nan 8.290 nan 0.000 0.411 396 A N -0.181 122.558 122.820 -0.134 0.000 1.969 396 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 396 A C 1.837 179.421 177.584 0.001 0.000 1.169 396 A CA 1.877 53.875 52.037 -0.066 0.000 0.635 396 A CB -0.695 18.235 19.000 -0.117 0.000 0.810 396 A HN 0.663 nan 8.150 nan 0.000 0.445 397 E N -0.651 119.546 120.200 -0.004 0.000 2.072 397 E HA -0.177 4.172 4.350 -0.000 0.000 0.191 397 E C 2.040 178.645 176.600 0.008 0.000 0.985 397 E CA 1.419 57.823 56.400 0.008 0.000 0.801 397 E CB -0.026 29.672 29.700 -0.003 0.000 0.750 397 E HN 0.530 nan 8.360 nan 0.000 0.452 398 K N 0.431 120.835 120.400 0.006 0.000 2.097 398 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 398 K C 1.518 178.133 176.600 0.025 0.000 1.050 398 K CA 1.020 57.314 56.287 0.013 0.000 0.938 398 K CB 0.119 32.626 32.500 0.012 0.000 0.718 398 K HN 0.088 nan 8.250 nan 0.000 0.442 399 L N -1.133 120.112 121.223 0.036 0.000 2.585 399 L HA 0.315 4.655 4.340 -0.000 0.000 0.226 399 L C 0.777 177.674 176.870 0.044 0.000 1.113 399 L CA 0.147 55.017 54.840 0.050 0.000 0.876 399 L CB 0.091 42.197 42.059 0.078 0.000 1.072 399 L HN 0.401 nan 8.230 nan 0.000 0.468 400 G N 1.759 110.579 108.800 0.033 0.000 2.298 400 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.287 400 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.287 400 G C 0.402 175.318 174.900 0.026 0.000 1.075 400 G CA 0.498 45.618 45.100 0.035 0.000 0.960 400 G HN 0.394 nan 8.290 nan 0.000 0.502 401 T N -3.414 111.124 114.554 -0.027 0.000 3.374 401 T HA 0.386 4.736 4.350 -0.000 0.000 0.267 401 T C 0.997 175.538 174.700 -0.265 0.000 0.996 401 T CA 0.525 62.485 62.100 -0.234 0.000 0.977 401 T CB 0.387 68.948 68.868 -0.511 0.000 1.149 401 T HN 0.503 nan 8.240 nan 0.000 0.517 402 H N 1.901 120.894 119.070 -0.128 0.000 2.456 402 H HA -0.071 4.485 4.556 -0.000 0.000 0.296 402 H C 1.413 176.698 175.328 -0.072 0.000 1.079 402 H CA 1.961 57.959 56.048 -0.083 0.000 1.322 402 H CB 0.016 29.758 29.762 -0.033 0.000 1.388 402 H HN 0.320 nan 8.280 nan 0.000 0.538 403 D N 0.340 120.739 120.400 -0.002 0.000 2.116 403 D HA -0.219 4.421 4.640 -0.000 0.000 0.193 403 D C 0.901 177.258 176.300 0.095 0.000 0.998 403 D CA 1.573 55.629 54.000 0.093 0.000 0.836 403 D CB -0.445 40.515 40.800 0.266 0.000 0.951 403 D HN 0.662 nan 8.370 nan 0.000 0.449 404 F N -1.122 118.832 119.950 0.007 0.000 2.928 404 F HA 0.688 5.215 4.527 -0.000 0.000 0.337 404 F C -0.098 175.779 175.800 0.127 0.000 1.259 404 F CA -1.519 56.493 58.000 0.019 0.000 1.267 404 F CB -0.205 38.814 39.000 0.032 0.000 0.986 404 F HN -0.191 nan 8.300 nan 0.000 0.507 405 A N 2.457 125.193 122.820 -0.140 0.000 2.444 405 A HA 0.602 4.922 4.320 -0.000 0.000 0.332 405 A C 0.060 177.466 177.584 -0.296 0.000 1.430 405 A CA -0.554 51.380 52.037 -0.172 0.000 0.975 405 A CB -0.007 18.855 19.000 -0.230 0.000 1.147 405 A HN 0.344 nan 8.150 nan 0.000 0.524 406 M N 4.473 123.919 119.600 -0.256 0.000 2.557 406 M HA 0.275 4.755 4.480 -0.000 0.000 0.328 406 M C -0.144 175.922 176.300 -0.391 0.000 1.423 406 M CA 0.371 55.359 55.300 -0.519 0.000 1.418 406 M CB -1.451 30.728 32.600 -0.702 0.000 1.381 406 M HN 0.905 nan 8.290 nan 0.000 0.467 407 H N -0.046 118.783 119.070 -0.401 0.000 2.967 407 H HA 0.829 5.385 4.556 -0.000 0.000 0.318 407 H C -1.915 173.304 175.328 -0.182 0.000 1.375 407 H CA -1.140 54.758 56.048 -0.249 0.000 1.132 407 H CB 1.187 30.859 29.762 -0.151 0.000 1.848 407 H HN 0.137 nan 8.280 nan 0.000 0.524 408 V N 1.760 121.748 119.914 0.123 0.000 2.612 408 V HA 0.311 4.431 4.120 -0.000 0.000 0.301 408 V C -0.143 176.115 176.094 0.273 0.000 1.059 408 V CA -0.959 61.413 62.300 0.121 0.000 0.886 408 V CB 1.378 33.244 31.823 0.072 0.000 1.007 408 V HN 0.979 nan 8.190 nan 0.000 0.426 409 K N 3.147 123.713 120.400 0.277 0.000 3.274 409 K HA -0.256 4.063 4.320 -0.000 0.000 0.300 409 K C 1.126 177.960 176.600 0.391 0.000 1.230 409 K CA 0.945 57.403 56.287 0.286 0.000 0.884 409 K CB -1.418 31.151 32.500 0.115 0.000 1.242 409 K HN 1.697 nan 8.250 nan 0.000 0.467 410 G N -0.185 108.787 108.800 0.287 0.000 2.234 410 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.235 410 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.235 410 G C -0.150 174.786 174.900 0.060 0.000 0.997 410 G CA 0.106 45.214 45.100 0.013 0.000 0.623 410 G HN 0.185 nan 8.290 nan 0.000 0.514 411 L N 2.013 123.357 121.223 0.202 0.000 2.276 411 L HA 0.762 5.102 4.340 -0.000 0.000 0.286 411 L C 0.230 177.179 176.870 0.131 0.000 1.061 411 L CA -1.027 53.919 54.840 0.177 0.000 0.807 411 L CB 0.893 43.101 42.059 0.248 0.000 1.177 411 L HN 0.198 nan 8.230 nan 0.000 0.429 412 E N 3.012 123.241 120.200 0.050 0.000 2.415 412 E HA 0.126 4.475 4.350 -0.000 0.000 0.263 412 E C -0.328 176.248 176.600 -0.041 0.000 0.995 412 E CA 0.081 56.470 56.400 -0.019 0.000 0.915 412 E CB 0.513 30.162 29.700 -0.085 0.000 0.951 412 E HN 0.421 nan 8.360 nan 0.000 0.449 413 V N 3.158 122.962 119.914 -0.183 0.000 2.814 413 V HA -0.090 4.030 4.120 -0.000 0.000 0.307 413 V C 1.025 177.108 176.094 -0.019 0.000 1.089 413 V CA 0.477 62.585 62.300 -0.320 0.000 1.212 413 V CB 1.297 32.632 31.823 -0.814 0.000 0.912 413 V HN 0.696 nan 8.190 nan 0.000 0.497 414 S N 2.809 118.606 115.700 0.161 0.000 2.625 414 S HA 0.340 4.809 4.470 -0.000 0.000 0.262 414 S C 1.170 176.039 174.600 0.448 0.000 1.223 414 S CA 0.084 58.540 58.200 0.427 0.000 0.993 414 S CB 0.764 64.491 63.200 0.877 0.000 1.051 414 S HN 1.079 nan 8.310 nan 0.000 0.562 415 G N 0.431 109.360 108.800 0.215 0.000 3.414 415 G HA2 0.289 4.248 3.960 -0.000 0.000 0.258 415 G HA3 0.289 4.248 3.960 -0.000 0.000 0.258 415 G C -0.999 173.733 174.900 -0.279 0.000 1.348 415 G CA 0.247 45.283 45.100 -0.108 0.000 1.319 415 G HN 0.479 nan 8.290 nan 0.000 0.555 416 Y N -0.368 120.227 120.300 0.491 0.000 2.331 416 Y HA 0.320 4.870 4.550 -0.000 0.000 0.326 416 Y C -0.193 175.977 175.900 0.449 0.000 1.020 416 Y CA -1.542 56.809 58.100 0.418 0.000 1.136 416 Y CB 1.431 40.162 38.460 0.451 0.000 1.157 416 Y HN -0.039 nan 8.280 nan 0.000 0.444 417 N N 2.138 121.051 118.700 0.355 0.000 2.430 417 N HA 0.195 4.934 4.740 -0.000 0.000 0.265 417 N C -0.853 174.584 175.510 -0.121 0.000 1.100 417 N CA -0.087 53.123 53.050 0.267 0.000 0.961 417 N CB 0.922 39.571 38.487 0.269 0.000 1.075 417 N HN 0.693 nan 8.380 nan 0.000 0.478 418 C N 4.392 123.087 119.300 -1.010 0.000 2.422 418 C HA 0.237 4.696 4.460 -0.000 0.000 0.301 418 C C 1.439 175.819 174.990 -1.015 0.000 1.444 418 C CA -0.690 57.783 59.018 -0.909 0.000 1.771 418 C CB -2.162 25.021 27.740 -0.929 0.000 2.834 418 C HN 0.717 nan 8.230 nan 0.000 0.545 419 Y N 1.572 121.444 120.300 -0.713 0.000 2.274 419 Y HA -0.063 4.487 4.550 -0.000 0.000 0.290 419 Y C 2.077 177.795 175.900 -0.304 0.000 1.145 419 Y CA 1.591 59.454 58.100 -0.395 0.000 1.203 419 Y CB -0.009 38.365 38.460 -0.143 0.000 0.984 419 Y HN 0.535 nan 8.280 nan 0.000 0.533 420 I N -4.322 116.099 120.570 -0.248 0.000 3.947 420 I HA 0.235 4.405 4.170 -0.000 0.000 0.327 420 I C -1.215 174.520 176.117 -0.637 0.000 1.519 420 I CA -0.222 60.821 61.300 -0.428 0.000 1.122 420 I CB 0.029 37.702 38.000 -0.545 0.000 1.146 420 I HN -0.187 nan 8.210 nan 0.000 0.442 421 Y N 1.827 122.012 120.300 -0.192 0.000 2.686 421 Y HA 0.488 5.038 4.550 -0.000 0.000 0.331 421 Y C -2.040 173.776 175.900 -0.139 0.000 0.996 421 Y CA -2.309 55.699 58.100 -0.154 0.000 1.293 421 Y CB 0.911 39.249 38.460 -0.203 0.000 1.092 421 Y HN -0.031 nan 8.280 nan 0.000 0.524 422 P HA -0.189 nan 4.420 nan 0.000 0.218 422 P C 1.322 178.694 177.300 0.120 0.000 1.149 422 P CA 1.782 64.872 63.100 -0.016 0.000 0.817 422 P CB 0.470 31.934 31.700 -0.393 0.000 0.785 423 A N -1.345 121.542 122.820 0.111 0.000 1.970 423 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 423 A C 2.160 179.806 177.584 0.103 0.000 1.170 423 A CA 1.428 53.545 52.037 0.134 0.000 0.645 423 A CB -1.182 17.946 19.000 0.214 0.000 0.816 423 A HN 0.094 nan 8.150 nan 0.000 0.447 424 M N -0.147 119.507 119.600 0.090 0.000 2.288 424 M HA 0.184 4.663 4.480 -0.000 0.000 0.266 424 M C 2.054 178.448 176.300 0.157 0.000 1.072 424 M CA 1.292 56.615 55.300 0.038 0.000 1.132 424 M CB -0.431 32.163 32.600 -0.008 0.000 1.386 424 M HN 0.348 nan 8.290 nan 0.000 0.432 425 A N -0.234 122.714 122.820 0.214 0.000 1.930 425 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 425 A C 2.082 179.894 177.584 0.379 0.000 1.175 425 A CA 1.594 53.852 52.037 0.369 0.000 0.627 425 A CB -1.043 18.070 19.000 0.188 0.000 0.815 425 A HN 0.534 nan 8.150 nan 0.000 0.443 426 L N -0.343 121.083 121.223 0.340 0.000 2.093 426 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 426 L C 2.654 179.570 176.870 0.077 0.000 1.085 426 L CA 1.982 56.979 54.840 0.262 0.000 0.755 426 L CB -0.615 41.503 42.059 0.100 0.000 0.904 426 L HN 0.336 nan 8.230 nan 0.000 0.435 427 A N -1.163 121.689 122.820 0.053 0.000 1.883 427 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 427 A C 2.143 179.755 177.584 0.046 0.000 1.186 427 A CA 1.994 54.024 52.037 -0.013 0.000 0.624 427 A CB -1.152 17.798 19.000 -0.083 0.000 0.822 427 A HN 0.518 nan 8.150 nan 0.000 0.444 428 Y N 0.161 120.590 120.300 0.216 0.000 2.181 428 Y HA -0.085 4.465 4.550 -0.000 0.000 0.288 428 Y C 2.825 178.819 175.900 0.158 0.000 1.146 428 Y CA 0.886 59.123 58.100 0.229 0.000 1.164 428 Y CB -1.081 37.553 38.460 0.291 0.000 0.982 428 Y HN 0.312 nan 8.280 nan 0.000 0.515 429 G N -1.324 107.656 108.800 0.301 0.000 2.422 429 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.218 429 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.218 429 G C 1.646 176.630 174.900 0.139 0.000 1.146 429 G CA 1.695 46.921 45.100 0.210 0.000 0.769 429 G HN 0.464 nan 8.290 nan 0.000 0.547 430 T N -2.067 112.516 114.554 0.048 0.000 3.060 430 T HA 0.269 4.619 4.350 -0.000 0.000 0.249 430 T C 1.330 176.129 174.700 0.166 0.000 1.079 430 T CA 0.631 62.737 62.100 0.010 0.000 1.013 430 T CB -0.050 68.535 68.868 -0.472 0.000 0.975 430 T HN 0.181 nan 8.240 nan 0.000 0.518 431 S N 0.957 116.768 115.700 0.186 0.000 2.593 431 S HA 0.308 4.778 4.470 -0.000 0.000 0.300 431 S C 1.799 176.539 174.600 0.233 0.000 1.267 431 S CA 0.139 58.487 58.200 0.247 0.000 1.065 431 S CB 0.094 63.456 63.200 0.269 0.000 0.807 431 S HN 0.620 nan 8.310 nan 0.000 0.499 432 A N 5.007 127.978 122.820 0.251 0.000 1.948 432 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 432 A C 1.765 179.547 177.584 0.331 0.000 1.177 432 A CA 1.938 54.080 52.037 0.175 0.000 0.636 432 A CB -0.797 18.159 19.000 -0.074 0.000 0.815 432 A HN 1.157 nan 8.150 nan 0.000 0.449 433 I N -4.812 115.990 120.570 0.388 0.000 3.956 433 I HA 0.567 4.736 4.170 -0.000 0.000 0.333 433 I C 0.857 177.278 176.117 0.508 0.000 1.302 433 I CA 0.276 61.905 61.300 0.548 0.000 1.122 433 I CB -0.160 38.081 38.000 0.401 0.000 1.013 433 I HN 0.447 nan 8.210 nan 0.000 0.405 434 G N 1.265 110.266 108.800 0.335 0.000 2.462 434 G HA2 0.216 4.175 3.960 -0.000 0.000 0.685 434 G HA3 0.216 4.175 3.960 -0.000 0.000 0.685 434 G C -0.337 174.759 174.900 0.328 0.000 1.295 434 G CA -0.636 44.642 45.100 0.298 0.000 0.941 434 G HN 0.704 nan 8.290 nan 0.000 0.554 435 A N 0.735 123.741 122.820 0.309 0.000 2.573 435 A HA 0.502 4.821 4.320 -0.000 0.000 0.250 435 A C 0.440 178.339 177.584 0.525 0.000 1.049 435 A CA 1.721 54.007 52.037 0.414 0.000 0.767 435 A CB -0.241 18.867 19.000 0.180 0.000 0.965 435 A HN 2.094 nan 8.150 nan 0.000 0.514 436 H N 1.540 120.952 119.070 0.571 0.000 3.114 436 H HA 0.131 4.687 4.556 -0.000 0.000 0.325 436 H C 0.290 175.773 175.328 0.258 0.000 1.206 436 H CA -0.269 56.036 56.048 0.430 0.000 1.316 436 H CB 0.787 30.683 29.762 0.222 0.000 1.981 436 H HN 0.862 nan 8.280 nan 0.000 0.527 437 H N 2.777 122.234 119.070 0.645 0.000 2.548 437 H HA 0.091 4.647 4.556 -0.000 0.000 0.265 437 H C 1.534 177.025 175.328 0.272 0.000 0.969 437 H CA 0.416 56.638 56.048 0.290 0.000 1.155 437 H CB 0.596 30.607 29.762 0.414 0.000 1.394 437 H HN 0.454 nan 8.280 nan 0.000 0.570 438 K N 1.819 122.057 120.400 -0.270 0.000 2.015 438 K HA -0.235 4.085 4.320 -0.000 0.000 0.216 438 K C 1.490 178.054 176.600 -0.060 0.000 1.052 438 K CA 2.332 58.394 56.287 -0.375 0.000 0.937 438 K CB 0.011 32.006 32.500 -0.841 0.000 0.719 438 K HN 0.412 nan 8.250 nan 0.000 0.446 439 E N -0.680 119.533 120.200 0.023 0.000 2.274 439 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 439 E C -0.176 176.515 176.600 0.152 0.000 0.996 439 E CA 0.585 57.073 56.400 0.148 0.000 0.840 439 E CB 0.335 30.187 29.700 0.254 0.000 0.772 439 E HN 0.379 nan 8.360 nan 0.000 0.491 440 A N 0.693 123.587 122.820 0.124 0.000 2.667 440 A HA 0.199 4.518 4.320 -0.000 0.000 0.291 440 A C -1.819 175.844 177.584 0.130 0.000 1.123 440 A CA -0.618 51.484 52.037 0.107 0.000 0.832 440 A CB -0.135 18.892 19.000 0.046 0.000 1.396 440 A HN 0.304 nan 8.150 nan 0.000 0.401 441 W N 4.288 125.558 121.300 -0.051 0.000 1.611 441 W HA 0.393 5.052 4.660 -0.000 0.000 0.395 441 W C 0.449 176.892 176.519 -0.126 0.000 0.698 441 W CA -0.378 56.894 57.345 -0.123 0.000 1.845 441 W CB 0.780 30.172 29.460 -0.114 0.000 1.818 441 W HN 0.470 nan 8.180 nan 0.000 0.270 442 V N 4.994 124.822 119.914 -0.144 0.000 3.380 442 V HA -0.157 3.963 4.120 -0.000 0.000 0.268 442 V C 1.779 177.770 176.094 -0.172 0.000 1.168 442 V CA 1.561 63.785 62.300 -0.126 0.000 1.156 442 V CB -0.468 31.340 31.823 -0.026 0.000 0.785 442 V HN 0.533 nan 8.190 nan 0.000 0.487 443 I N 0.229 120.536 120.570 -0.438 0.000 2.286 443 I HA -0.149 4.020 4.170 -0.000 0.000 0.248 443 I C 2.405 178.303 176.117 -0.366 0.000 1.115 443 I CA 1.686 62.729 61.300 -0.428 0.000 1.392 443 I CB -0.231 37.450 38.000 -0.532 0.000 1.065 443 I HN 0.354 nan 8.210 nan 0.000 0.418 444 A N 0.234 122.645 122.820 -0.681 0.000 1.858 444 A HA -0.294 4.026 4.320 -0.000 0.000 0.216 444 A C 2.122 179.603 177.584 -0.172 0.000 1.190 444 A CA 1.829 53.575 52.037 -0.485 0.000 0.617 444 A CB -1.508 16.801 19.000 -1.150 0.000 0.827 444 A HN 0.762 nan 8.150 nan 0.000 0.443 445 W N 0.698 121.796 121.300 -0.336 0.000 2.335 445 W HA -0.176 4.484 4.660 -0.000 0.000 0.311 445 W C 1.991 178.461 176.519 -0.083 0.000 1.213 445 W CA 1.910 59.151 57.345 -0.174 0.000 1.274 445 W CB -0.203 29.162 29.460 -0.159 0.000 1.148 445 W HN 0.480 nan 8.180 nan 0.000 0.498 446 E N -0.143 120.048 120.200 -0.015 0.000 2.204 446 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 446 E C 2.041 178.613 176.600 -0.047 0.000 0.990 446 E CA 1.690 58.014 56.400 -0.127 0.000 0.821 446 E CB -0.308 29.468 29.700 0.128 0.000 0.750 446 E HN 0.410 nan 8.360 nan 0.000 0.477 447 I N -1.679 118.858 120.570 -0.055 0.000 2.556 447 I HA 0.047 4.216 4.170 -0.000 0.000 0.251 447 I C 1.797 177.917 176.117 0.004 0.000 1.105 447 I CA 0.933 62.233 61.300 -0.001 0.000 1.436 447 I CB 0.349 38.295 38.000 -0.090 0.000 1.139 447 I HN 0.331 nan 8.210 nan 0.000 0.438 448 G N 1.001 109.779 108.800 -0.037 0.000 2.255 448 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.196 448 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.196 448 G C 0.430 175.348 174.900 0.031 0.000 0.998 448 G CA 0.131 45.208 45.100 -0.038 0.000 0.656 448 G HN 0.411 nan 8.290 nan 0.000 0.490 449 T N -1.561 113.068 114.554 0.125 0.000 2.907 449 T HA 0.934 5.284 4.350 -0.000 0.000 0.290 449 T C -0.319 174.504 174.700 0.204 0.000 1.066 449 T CA 0.130 62.354 62.100 0.207 0.000 1.012 449 T CB 2.417 71.479 68.868 0.324 0.000 1.184 449 T HN 1.782 nan 8.240 nan 0.000 0.522 450 A N 0.859 123.668 122.820 -0.020 0.000 2.475 450 A HA 0.780 5.099 4.320 -0.000 0.000 0.301 450 A C -2.397 174.819 177.584 -0.614 0.000 1.059 450 A CA -2.032 49.715 52.037 -0.482 0.000 0.710 450 A CB 1.267 20.124 19.000 -0.237 0.000 1.288 450 A HN 0.557 nan 8.150 nan 0.000 0.408 451 P HA -0.150 nan 4.420 nan 0.000 0.218 451 P C 1.189 178.509 177.300 0.033 0.000 1.146 451 P CA 0.878 63.737 63.100 -0.401 0.000 0.813 451 P CB 0.107 31.619 31.700 -0.313 0.000 0.778 452 I N -1.128 119.470 120.570 0.046 0.000 3.083 452 I HA -0.112 4.057 4.170 -0.000 0.000 0.273 452 I C 0.892 177.113 176.117 0.173 0.000 1.297 452 I CA 0.844 62.288 61.300 0.240 0.000 1.452 452 I CB -0.411 37.684 38.000 0.159 0.000 1.078 452 I HN -0.055 nan 8.210 nan 0.000 0.484 463 K N 6.301 126.127 120.400 -0.956 0.000 2.482 463 K HA 0.573 4.893 4.320 -0.000 0.000 0.251 463 K C -1.197 174.781 176.600 -1.038 0.000 0.936 463 K CA -0.765 55.096 56.287 -0.709 0.000 0.791 463 K CB 1.766 34.050 32.500 -0.360 0.000 1.213 463 K HN 0.619 nan 8.250 nan 0.000 0.428 464 I N 2.303 122.469 120.570 -0.673 0.000 2.683 464 I HA -0.014 4.156 4.170 -0.000 0.000 0.286 464 I C 0.428 176.332 176.117 -0.356 0.000 1.175 464 I CA 0.541 61.550 61.300 -0.485 0.000 1.429 464 I CB 0.763 38.607 38.000 -0.261 0.000 1.371 464 I HN 0.465 nan 8.210 nan 0.000 0.569 465 S N 5.609 121.081 115.700 -0.380 0.000 2.540 465 S HA 0.474 4.944 4.470 -0.000 0.000 0.275 465 S C -0.620 173.796 174.600 -0.307 0.000 1.123 465 S CA -0.646 57.416 58.200 -0.230 0.000 0.907 465 S CB 1.056 64.148 63.200 -0.179 0.000 1.081 465 S HN 0.450 nan 8.310 nan 0.000 0.476 466 Y N 1.306 121.608 120.300 0.004 0.000 2.708 466 Y HA 0.349 4.898 4.550 -0.000 0.000 0.287 466 Y C 0.831 176.748 175.900 0.028 0.000 1.145 466 Y CA -0.766 57.354 58.100 0.033 0.000 1.249 466 Y CB 0.151 38.636 38.460 0.042 0.000 1.152 466 Y HN 0.660 nan 8.280 nan 0.000 0.532 467 D N 3.099 123.562 120.400 0.105 0.000 2.586 467 D HA -0.078 4.562 4.640 -0.000 0.000 0.234 467 D C -1.384 174.973 176.300 0.096 0.000 1.132 467 D CA -0.625 53.426 54.000 0.087 0.000 0.860 467 D CB 1.310 42.148 40.800 0.063 0.000 1.159 467 D HN 0.149 nan 8.370 nan 0.000 0.490 468 P HA -0.158 nan 4.420 nan 0.000 0.223 468 P C 1.593 178.920 177.300 0.044 0.000 1.144 468 P CA 0.387 63.516 63.100 0.049 0.000 0.783 468 P CB 0.285 32.002 31.700 0.029 0.000 0.771 469 I N -0.126 120.487 120.570 0.071 0.000 2.756 469 I HA -0.140 4.030 4.170 -0.000 0.000 0.262 469 I C 2.124 178.299 176.117 0.096 0.000 1.225 469 I CA 1.261 62.607 61.300 0.077 0.000 1.472 469 I CB -0.409 37.668 38.000 0.128 0.000 1.094 469 I HN -0.200 nan 8.210 nan 0.000 0.454 470 K N 0.220 120.714 120.400 0.157 0.000 2.057 470 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 470 K C 2.112 178.726 176.600 0.024 0.000 1.050 470 K CA 1.338 57.734 56.287 0.181 0.000 0.935 470 K CB -0.308 32.323 32.500 0.218 0.000 0.715 470 K HN 0.383 nan 8.250 nan 0.000 0.439 471 A N 1.183 124.019 122.820 0.026 0.000 2.015 471 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 471 A C 2.092 179.659 177.584 -0.028 0.000 1.163 471 A CA 1.352 53.410 52.037 0.035 0.000 0.646 471 A CB -0.297 18.730 19.000 0.046 0.000 0.806 471 A HN 0.224 nan 8.150 nan 0.000 0.448 472 Q N 0.068 119.816 119.800 -0.088 0.000 2.123 472 Q HA -0.074 4.266 4.340 -0.000 0.000 0.199 472 Q C 2.031 177.891 176.000 -0.234 0.000 0.966 472 Q CA 1.676 57.384 55.803 -0.157 0.000 0.845 472 Q CB -0.173 28.485 28.738 -0.133 0.000 0.907 472 Q HN 0.417 nan 8.270 nan 0.000 0.439 473 K N -0.393 119.819 120.400 -0.312 0.000 2.097 473 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 473 K C 1.907 178.304 176.600 -0.338 0.000 1.050 473 K CA 1.035 57.017 56.287 -0.509 0.000 0.938 473 K CB -0.262 31.590 32.500 -1.080 0.000 0.718 473 K HN 0.189 nan 8.250 nan 0.000 0.442 474 V N 0.755 120.551 119.914 -0.196 0.000 2.407 474 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 474 V C 2.398 178.455 176.094 -0.061 0.000 1.055 474 V CA 1.215 63.467 62.300 -0.081 0.000 1.049 474 V CB -0.126 31.702 31.823 0.007 0.000 0.662 474 V HN 0.013 nan 8.190 nan 0.000 0.455 475 V N -0.266 119.585 119.914 -0.105 0.000 2.453 475 V HA -0.202 3.917 4.120 -0.000 0.000 0.247 475 V C 2.346 178.278 176.094 -0.270 0.000 1.048 475 V CA 1.829 63.996 62.300 -0.221 0.000 1.049 475 V CB -0.485 31.134 31.823 -0.341 0.000 0.672 475 V HN 0.628 nan 8.190 nan 0.000 0.457 476 E N -0.093 119.943 120.200 -0.273 0.000 2.150 476 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 476 E C 2.204 178.688 176.600 -0.194 0.000 0.985 476 E CA 1.032 57.249 56.400 -0.305 0.000 0.814 476 E CB -0.104 29.395 29.700 -0.335 0.000 0.752 476 E HN 0.495 nan 8.360 nan 0.000 0.466 477 L N 0.700 121.847 121.223 -0.126 0.000 2.072 477 L HA -0.171 4.169 4.340 -0.000 0.000 0.205 477 L C 2.535 179.435 176.870 0.050 0.000 1.079 477 L CA 1.026 55.878 54.840 0.020 0.000 0.752 477 L CB -0.256 41.814 42.059 0.019 0.000 0.906 477 L HN 0.107 nan 8.230 nan 0.000 0.436 478 Q N -0.192 119.588 119.800 -0.032 0.000 2.135 478 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 478 Q C 2.325 178.285 176.000 -0.067 0.000 0.981 478 Q CA 1.406 57.185 55.803 -0.038 0.000 0.856 478 Q CB -0.071 28.526 28.738 -0.234 0.000 0.902 478 Q HN 0.431 nan 8.270 nan 0.000 0.425 479 R N -0.054 120.361 120.500 -0.142 0.000 2.096 479 R HA -0.120 4.219 4.340 -0.000 0.000 0.235 479 R C 1.988 178.318 176.300 0.050 0.000 1.127 479 R CA 1.109 57.175 56.100 -0.058 0.000 0.968 479 R CB -0.064 30.181 30.300 -0.090 0.000 0.861 479 R HN 0.223 nan 8.270 nan 0.000 0.440 480 L N -1.255 119.993 121.223 0.043 0.000 2.357 480 L HA 0.135 4.475 4.340 -0.000 0.000 0.211 480 L C 2.146 179.143 176.870 0.210 0.000 1.075 480 L CA 0.613 55.456 54.840 0.004 0.000 0.830 480 L CB -0.080 41.892 42.059 -0.145 0.000 0.996 480 L HN -0.088 nan 8.230 nan 0.000 0.467 481 R N 0.262 120.944 120.500 0.303 0.000 2.112 481 R HA 0.121 4.461 4.340 -0.000 0.000 0.216 481 R C 2.100 178.567 176.300 0.277 0.000 1.080 481 R CA 0.979 57.303 56.100 0.373 0.000 0.996 481 R CB -0.350 30.153 30.300 0.339 0.000 0.902 481 R HN 0.329 nan 8.270 nan 0.000 0.449 482 G N -0.808 108.164 108.800 0.287 0.000 2.986 482 G HA2 0.096 4.056 3.960 -0.000 0.000 0.213 482 G HA3 0.096 4.056 3.960 -0.000 0.000 0.213 482 G C 0.738 175.864 174.900 0.377 0.000 1.156 482 G CA 0.441 45.755 45.100 0.357 0.000 0.763 482 G HN 0.390 nan 8.290 nan 0.000 0.547 483 G N 0.478 109.455 108.800 0.295 0.000 2.446 483 G HA2 0.237 4.196 3.960 -0.000 0.000 0.202 483 G HA3 0.237 4.196 3.960 -0.000 0.000 0.202 483 G C 1.319 176.257 174.900 0.064 0.000 1.842 483 G CA 0.495 45.726 45.100 0.218 0.000 0.703 483 G HN 0.159 nan 8.290 nan 0.000 0.731 484 L N 0.376 121.568 121.223 -0.050 0.000 1.997 484 L HA -0.122 4.218 4.340 -0.000 0.000 0.227 484 L C 2.597 179.236 176.870 -0.385 0.000 1.087 484 L CA 2.244 56.906 54.840 -0.296 0.000 0.797 484 L CB -0.823 40.939 42.059 -0.495 0.000 0.902 484 L HN 0.227 nan 8.230 nan 0.000 0.441 485 F N -0.444 119.422 119.950 -0.140 0.000 2.451 485 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 485 F C 2.357 178.119 175.800 -0.063 0.000 1.101 485 F CA 0.841 58.749 58.000 -0.153 0.000 1.436 485 F CB -0.399 38.535 39.000 -0.110 0.000 1.074 485 F HN 0.211 nan 8.300 nan 0.000 0.553 486 E N -0.794 119.483 120.200 0.128 0.000 2.442 486 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 486 E C 1.907 178.559 176.600 0.088 0.000 1.030 486 E CA 0.540 57.013 56.400 0.122 0.000 0.869 486 E CB -0.059 29.724 29.700 0.138 0.000 0.857 486 E HN 0.450 nan 8.360 nan 0.000 0.505 487 M N -0.551 119.063 119.600 0.023 0.000 2.567 487 M HA 0.124 4.604 4.480 -0.000 0.000 0.261 487 M C 1.961 178.239 176.300 -0.036 0.000 1.180 487 M CA 0.223 55.535 55.300 0.021 0.000 1.143 487 M CB 0.353 32.954 32.600 0.002 0.000 1.319 487 M HN 0.002 nan 8.290 nan 0.000 0.490 488 L N -0.578 120.539 121.223 -0.176 0.000 2.005 488 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 488 L C 1.424 178.250 176.870 -0.072 0.000 1.072 488 L CA 0.944 55.579 54.840 -0.342 0.000 0.744 488 L CB -0.536 41.019 42.059 -0.840 0.000 0.895 488 L HN 0.219 nan 8.230 nan 0.000 0.433 489 T N -0.879 113.707 114.554 0.054 0.000 2.829 489 T HA 0.699 5.049 4.350 -0.000 0.000 0.280 489 T C -0.681 174.100 174.700 0.135 0.000 0.999 489 T CA -0.336 61.795 62.100 0.052 0.000 0.983 489 T CB 1.658 70.597 68.868 0.119 0.000 0.968 489 T HN 0.228 nan 8.240 nan 0.000 0.446 490 A N 2.663 125.589 122.820 0.177 0.000 2.530 490 A HA 0.696 5.016 4.320 -0.000 0.000 0.288 490 A C -0.036 177.689 177.584 0.235 0.000 1.172 490 A CA -0.812 51.398 52.037 0.288 0.000 0.733 490 A CB 0.918 20.187 19.000 0.448 0.000 1.320 490 A HN 1.044 nan 8.150 nan 0.000 0.419 491 C N 0.475 119.874 119.300 0.165 0.000 2.637 491 C HA 0.387 4.847 4.460 -0.000 0.000 0.418 491 C C 2.026 176.840 174.990 -0.294 0.000 1.319 491 C CA 0.116 59.138 59.018 0.005 0.000 1.949 491 C CB -0.477 27.296 27.740 0.055 0.000 2.639 491 C HN 0.895 nan 8.230 nan 0.000 0.594 492 R N 4.276 124.477 120.500 -0.498 0.000 2.246 492 R HA 0.077 4.417 4.340 -0.000 0.000 0.199 492 R C 1.457 177.540 176.300 -0.362 0.000 0.984 492 R CA 0.726 56.295 56.100 -0.885 0.000 1.015 492 R CB -0.220 29.741 30.300 -0.564 0.000 0.930 492 R HN 0.748 nan 8.270 nan 0.000 0.475 493 L N 1.118 122.179 121.223 -0.270 0.000 2.042 493 L HA -0.059 4.280 4.340 -0.000 0.000 0.210 493 L C -0.516 176.151 176.870 -0.338 0.000 1.076 493 L CA 1.368 56.013 54.840 -0.325 0.000 0.749 493 L CB -1.434 40.441 42.059 -0.306 0.000 0.893 493 L HN 0.169 nan 8.230 nan 0.000 0.432 494 P HA -0.234 nan 4.420 nan 0.000 0.216 494 P C 1.161 178.466 177.300 0.008 0.000 1.150 494 P CA 1.534 64.575 63.100 -0.098 0.000 0.843 494 P CB -0.123 31.613 31.700 0.061 0.000 0.787 495 W N 0.037 121.280 121.300 -0.094 0.000 2.444 495 W HA -0.085 4.575 4.660 -0.000 0.000 0.308 495 W C 1.867 178.358 176.519 -0.047 0.000 1.183 495 W CA 0.867 58.213 57.345 0.003 0.000 1.340 495 W CB -1.213 28.293 29.460 0.077 0.000 1.138 495 W HN -0.340 nan 8.180 nan 0.000 0.510 496 V N 1.957 121.478 119.914 -0.656 0.000 2.287 496 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 496 V C 2.517 178.336 176.094 -0.458 0.000 1.053 496 V CA 2.546 64.337 62.300 -0.847 0.000 1.027 496 V CB -0.769 30.680 31.823 -0.624 0.000 0.646 496 V HN 0.215 nan 8.190 nan 0.000 0.447 497 E N 0.058 120.007 120.200 -0.419 0.000 2.057 497 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 497 E C 2.076 178.533 176.600 -0.239 0.000 0.969 497 E CA 1.638 57.816 56.400 -0.371 0.000 0.812 497 E CB -0.356 28.900 29.700 -0.741 0.000 0.777 497 E HN 0.622 nan 8.360 nan 0.000 0.455 498 V N -2.423 117.348 119.914 -0.238 0.000 3.647 498 V HA 0.457 4.577 4.120 -0.000 0.000 0.279 498 V C 1.171 177.267 176.094 0.004 0.000 1.314 498 V CA 0.571 62.824 62.300 -0.079 0.000 1.125 498 V CB -0.089 31.703 31.823 -0.050 0.000 0.907 498 V HN 0.294 nan 8.190 nan 0.000 0.434 499 G N 0.792 109.591 108.800 -0.000 0.000 2.160 499 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 499 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 499 G C -0.267 174.767 174.900 0.222 0.000 1.022 499 G CA 0.267 45.430 45.100 0.106 0.000 0.741 499 G HN 0.827 nan 8.290 nan 0.000 0.508 500 L N 1.327 122.697 121.223 0.246 0.000 2.514 500 L HA 0.582 4.922 4.340 -0.000 0.000 0.280 500 L C 1.080 178.219 176.870 0.449 0.000 1.223 500 L CA 0.707 55.723 54.840 0.292 0.000 0.864 500 L CB 0.979 43.181 42.059 0.237 0.000 1.118 500 L HN 0.452 nan 8.230 nan 0.000 0.494 501 S N 3.967 119.943 115.700 0.460 0.000 2.537 501 S HA 0.087 4.556 4.470 -0.000 0.000 0.286 501 S C 1.344 176.246 174.600 0.503 0.000 1.299 501 S CA -0.304 58.149 58.200 0.420 0.000 1.067 501 S CB 0.077 63.443 63.200 0.275 0.000 0.864 501 S HN 0.714 nan 8.310 nan 0.000 0.494 502 L N 3.509 124.958 121.223 0.377 0.000 2.275 502 L HA -0.041 4.299 4.340 -0.000 0.000 0.215 502 L C 1.583 178.824 176.870 0.617 0.000 1.119 502 L CA 0.761 55.872 54.840 0.453 0.000 0.790 502 L CB -0.334 41.756 42.059 0.052 0.000 0.919 502 L HN 0.608 nan 8.230 nan 0.000 0.443 503 D N -0.935 119.695 120.400 0.383 0.000 2.351 503 D HA -0.179 4.461 4.640 -0.000 0.000 0.216 503 D C 1.765 178.071 176.300 0.009 0.000 0.968 503 D CA 0.985 55.135 54.000 0.250 0.000 0.899 503 D CB 0.028 40.870 40.800 0.069 0.000 0.907 503 D HN 0.309 nan 8.370 nan 0.000 0.514 504 Y N -0.841 119.439 120.300 -0.032 0.000 2.263 504 Y HA -0.148 4.401 4.550 -0.000 0.000 0.292 504 Y C 1.785 177.485 175.900 -0.332 0.000 1.130 504 Y CA 0.807 58.755 58.100 -0.254 0.000 1.179 504 Y CB -0.423 37.777 38.460 -0.434 0.000 0.998 504 Y HN 0.063 nan 8.280 nan 0.000 0.532 505 Y N -0.431 119.975 120.300 0.177 0.000 2.145 505 Y HA -0.164 4.386 4.550 -0.000 0.000 0.286 505 Y C -0.429 175.377 175.900 -0.157 0.000 1.145 505 Y CA 1.213 59.337 58.100 0.040 0.000 1.148 505 Y CB -2.170 36.205 38.460 -0.142 0.000 0.981 505 Y HN 0.134 nan 8.280 nan 0.000 0.507 506 P HA -0.124 nan 4.420 nan 0.000 0.217 506 P C 1.033 178.215 177.300 -0.197 0.000 1.151 506 P CA 1.796 64.664 63.100 -0.387 0.000 0.828 506 P CB 0.014 31.293 31.700 -0.702 0.000 0.788 507 K N -0.630 119.679 120.400 -0.152 0.000 2.148 507 K HA -0.029 4.291 4.320 -0.000 0.000 0.204 507 K C 2.097 178.637 176.600 -0.100 0.000 1.050 507 K CA 0.985 57.201 56.287 -0.119 0.000 0.942 507 K CB -0.643 31.784 32.500 -0.122 0.000 0.724 507 K HN 0.207 nan 8.250 nan 0.000 0.446 508 L N 0.539 121.719 121.223 -0.073 0.000 2.072 508 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 508 L C 2.331 179.164 176.870 -0.062 0.000 1.079 508 L CA 0.346 55.115 54.840 -0.118 0.000 0.752 508 L CB -0.262 41.697 42.059 -0.165 0.000 0.906 508 L HN 0.096 nan 8.230 nan 0.000 0.436 509 L N 0.355 121.619 121.223 0.069 0.000 2.043 509 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 509 L C 2.546 179.372 176.870 -0.073 0.000 1.075 509 L CA 1.870 56.708 54.840 -0.003 0.000 0.752 509 L CB -0.664 41.286 42.059 -0.182 0.000 0.891 509 L HN 0.176 nan 8.230 nan 0.000 0.432 510 K N -1.063 119.306 120.400 -0.051 0.000 2.062 510 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 510 K C 1.924 178.465 176.600 -0.099 0.000 1.051 510 K CA 1.142 57.405 56.287 -0.040 0.000 0.941 510 K CB -0.107 32.367 32.500 -0.043 0.000 0.719 510 K HN 0.377 nan 8.250 nan 0.000 0.440 511 A N 1.099 123.841 122.820 -0.130 0.000 2.019 511 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 511 A C 1.993 179.454 177.584 -0.205 0.000 1.164 511 A CA 1.117 53.056 52.037 -0.164 0.000 0.644 511 A CB -0.307 18.592 19.000 -0.168 0.000 0.805 511 A HN 0.313 nan 8.150 nan 0.000 0.449 512 I N -0.777 119.664 120.570 -0.214 0.000 2.364 512 I HA -0.124 4.046 4.170 -0.000 0.000 0.241 512 I C 2.731 178.704 176.117 -0.240 0.000 1.082 512 I CA 1.700 62.851 61.300 -0.249 0.000 1.401 512 I CB -0.242 37.591 38.000 -0.278 0.000 1.126 512 I HN 0.467 nan 8.210 nan 0.000 0.429 513 T N -2.179 112.216 114.554 -0.265 0.000 3.081 513 T HA 0.217 4.567 4.350 -0.000 0.000 0.255 513 T C 1.624 176.332 174.700 0.013 0.000 1.113 513 T CA 0.658 62.608 62.100 -0.250 0.000 1.082 513 T CB 0.487 68.960 68.868 -0.657 0.000 0.939 513 T HN 0.563 nan 8.240 nan 0.000 0.506 514 G N 0.639 109.420 108.800 -0.031 0.000 2.253 514 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.251 514 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.251 514 G C 0.117 175.046 174.900 0.049 0.000 0.998 514 G CA 0.076 45.183 45.100 0.012 0.000 0.621 514 G HN 0.732 nan 8.290 nan 0.000 0.524 515 V N 2.189 122.164 119.914 0.102 0.000 2.498 515 V HA 0.519 4.638 4.120 -0.000 0.000 0.279 515 V C 0.860 176.982 176.094 0.046 0.000 1.048 515 V CA 0.229 62.578 62.300 0.081 0.000 0.967 515 V CB 1.513 33.446 31.823 0.184 0.000 0.988 515 V HN 0.286 nan 8.190 nan 0.000 0.473 516 T N 5.494 120.010 114.554 -0.064 0.000 2.794 516 T HA 0.416 4.766 4.350 -0.000 0.000 0.296 516 T C -0.771 173.829 174.700 -0.166 0.000 0.949 516 T CA 0.275 62.333 62.100 -0.071 0.000 1.101 516 T CB -0.001 68.813 68.868 -0.091 0.000 0.905 516 T HN 0.455 nan 8.240 nan 0.000 0.516 517 Y N 2.237 122.441 120.300 -0.160 0.000 2.326 517 Y HA 0.363 4.913 4.550 -0.000 0.000 0.331 517 Y C 1.236 176.957 175.900 -0.298 0.000 0.962 517 Y CA -0.943 57.032 58.100 -0.208 0.000 1.167 517 Y CB 1.241 39.559 38.460 -0.236 0.000 1.148 517 Y HN 0.710 nan 8.280 nan 0.000 0.463 518 T N -2.323 112.144 114.554 -0.145 0.000 2.788 518 T HA 0.061 4.411 4.350 -0.000 0.000 0.280 518 T C 0.814 175.339 174.700 -0.291 0.000 0.984 518 T CA -0.499 61.487 62.100 -0.189 0.000 0.972 518 T CB 0.688 69.494 68.868 -0.103 0.000 1.039 518 T HN 0.756 nan 8.240 nan 0.000 0.530 519 W N -0.175 120.958 121.300 -0.278 0.000 2.467 519 W HA 0.074 4.734 4.660 -0.000 0.000 0.275 519 W C 2.224 178.185 176.519 -0.930 0.000 1.239 519 W CA 0.806 57.778 57.345 -0.621 0.000 1.266 519 W CB -0.212 28.925 29.460 -0.538 0.000 1.112 519 W HN 0.915 nan 8.180 nan 0.000 0.576 520 D N 0.041 120.305 120.400 -0.227 0.000 2.117 520 D HA -0.204 4.436 4.640 -0.000 0.000 0.198 520 D C 1.633 177.873 176.300 -0.101 0.000 0.982 520 D CA 1.688 55.626 54.000 -0.104 0.000 0.828 520 D CB -0.010 40.792 40.800 0.005 0.000 0.967 520 D HN -0.109 nan 8.370 nan 0.000 0.464 521 D N -0.149 120.184 120.400 -0.111 0.000 2.104 521 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 521 D C 2.208 178.501 176.300 -0.013 0.000 0.994 521 D CA 0.700 54.667 54.000 -0.054 0.000 0.830 521 D CB -0.291 40.473 40.800 -0.059 0.000 0.959 521 D HN 0.315 nan 8.370 nan 0.000 0.452 522 L N -0.163 120.998 121.223 -0.104 0.000 2.093 522 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 522 L C 2.420 179.316 176.870 0.043 0.000 1.085 522 L CA 0.827 55.612 54.840 -0.091 0.000 0.755 522 L CB -0.440 41.471 42.059 -0.247 0.000 0.904 522 L HN 0.069 nan 8.230 nan 0.000 0.435 523 Y N 0.131 120.479 120.300 0.080 0.000 2.242 523 Y HA -0.223 4.327 4.550 -0.000 0.000 0.291 523 Y C 2.598 178.502 175.900 0.006 0.000 1.137 523 Y CA 0.844 58.964 58.100 0.034 0.000 1.181 523 Y CB -0.772 37.702 38.460 0.024 0.000 0.989 523 Y HN 0.150 nan 8.280 nan 0.000 0.527 524 K N 0.315 120.802 120.400 0.145 0.000 2.057 524 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 524 K C 2.285 178.915 176.600 0.050 0.000 1.050 524 K CA 1.083 57.414 56.287 0.073 0.000 0.935 524 K CB -0.218 32.300 32.500 0.030 0.000 0.715 524 K HN 0.167 nan 8.250 nan 0.000 0.439 525 A N 0.952 123.798 122.820 0.043 0.000 1.930 525 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 525 A C 2.310 179.943 177.584 0.081 0.000 1.175 525 A CA 1.722 53.769 52.037 0.018 0.000 0.627 525 A CB -0.763 18.253 19.000 0.025 0.000 0.815 525 A HN 0.472 nan 8.150 nan 0.000 0.443 526 A N -0.202 122.691 122.820 0.121 0.000 1.930 526 A HA -0.126 4.193 4.320 -0.000 0.000 0.217 526 A C 1.739 179.482 177.584 0.265 0.000 1.175 526 A CA 1.737 53.893 52.037 0.198 0.000 0.627 526 A CB -0.445 18.649 19.000 0.157 0.000 0.815 526 A HN 0.432 nan 8.150 nan 0.000 0.443 527 D N -0.757 119.734 120.400 0.152 0.000 2.178 527 D HA -0.111 4.529 4.640 -0.000 0.000 0.202 527 D C 2.056 178.488 176.300 0.220 0.000 0.974 527 D CA 1.026 55.114 54.000 0.146 0.000 0.841 527 D CB -0.270 40.561 40.800 0.052 0.000 0.953 527 D HN 0.533 nan 8.370 nan 0.000 0.478 528 R N 0.788 121.378 120.500 0.150 0.000 2.070 528 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 528 R C 2.155 178.575 176.300 0.201 0.000 1.138 528 R CA 1.240 57.411 56.100 0.119 0.000 0.936 528 R CB -0.438 29.858 30.300 -0.008 0.000 0.839 528 R HN -0.043 nan 8.270 nan 0.000 0.429 529 V N 0.468 120.523 119.914 0.236 0.000 2.380 529 V HA -0.281 3.839 4.120 -0.000 0.000 0.251 529 V C 2.038 178.212 176.094 0.135 0.000 1.063 529 V CA 1.866 64.306 62.300 0.233 0.000 1.055 529 V CB -0.699 31.251 31.823 0.212 0.000 0.657 529 V HN 0.389 nan 8.190 nan 0.000 0.455 530 Y N 0.182 120.576 120.300 0.156 0.000 2.200 530 Y HA -0.180 4.369 4.550 -0.000 0.000 0.290 530 Y C 2.859 178.949 175.900 0.316 0.000 1.137 530 Y CA 1.947 60.186 58.100 0.231 0.000 1.163 530 Y CB -0.242 38.362 38.460 0.239 0.000 0.988 530 Y HN 0.159 nan 8.280 nan 0.000 0.518 531 S N -0.444 115.504 115.700 0.413 0.000 2.406 531 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 531 S C 1.914 176.504 174.600 -0.017 0.000 1.020 531 S CA 0.714 59.067 58.200 0.255 0.000 0.965 531 S CB -0.454 62.889 63.200 0.238 0.000 0.798 531 S HN 0.299 nan 8.310 nan 0.000 0.488 532 L N 1.857 123.074 121.223 -0.011 0.000 1.994 532 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 532 L C 1.854 178.688 176.870 -0.061 0.000 1.071 532 L CA 1.659 56.421 54.840 -0.131 0.000 0.745 532 L CB -0.608 41.442 42.059 -0.015 0.000 0.892 532 L HN 0.263 nan 8.230 nan 0.000 0.431 533 I N -0.844 119.693 120.570 -0.055 0.000 2.163 533 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 533 I C 2.655 178.922 176.117 0.249 0.000 1.085 533 I CA 1.346 62.637 61.300 -0.016 0.000 1.347 533 I CB -0.345 37.528 38.000 -0.211 0.000 1.044 533 I HN 0.266 nan 8.210 nan 0.000 0.408 534 R N 1.534 122.076 120.500 0.070 0.000 2.073 534 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 534 R C 2.195 178.391 176.300 -0.173 0.000 1.134 534 R CA 1.945 57.969 56.100 -0.126 0.000 0.952 534 R CB -0.971 29.017 30.300 -0.519 0.000 0.850 534 R HN 0.355 nan 8.270 nan 0.000 0.433 535 A N -0.575 122.154 122.820 -0.153 0.000 1.917 535 A HA -0.235 4.084 4.320 -0.000 0.000 0.219 535 A C 2.232 179.951 177.584 0.225 0.000 1.182 535 A CA 1.697 53.684 52.037 -0.082 0.000 0.633 535 A CB -1.062 17.797 19.000 -0.235 0.000 0.819 535 A HN 0.596 nan 8.150 nan 0.000 0.448 536 Y N -1.373 119.079 120.300 0.254 0.000 2.181 536 Y HA -0.249 4.301 4.550 -0.000 0.000 0.288 536 Y C 2.081 178.036 175.900 0.092 0.000 1.146 536 Y CA 1.931 60.223 58.100 0.320 0.000 1.164 536 Y CB -0.363 38.270 38.460 0.288 0.000 0.982 536 Y HN 0.459 nan 8.280 nan 0.000 0.515 537 W N -0.734 120.537 121.300 -0.048 0.000 2.355 537 W HA -0.189 4.470 4.660 -0.000 0.000 0.309 537 W C 2.493 178.689 176.519 -0.539 0.000 1.206 537 W CA 2.107 59.248 57.345 -0.339 0.000 1.284 537 W CB -0.932 28.100 29.460 -0.714 0.000 1.145 537 W HN -0.175 nan 8.180 nan 0.000 0.502 538 V N 0.580 120.222 119.914 -0.454 0.000 2.295 538 V HA -0.303 3.816 4.120 -0.000 0.000 0.246 538 V C 2.551 178.595 176.094 -0.084 0.000 1.049 538 V CA 2.108 64.187 62.300 -0.368 0.000 1.024 538 V CB -0.905 30.678 31.823 -0.399 0.000 0.648 538 V HN 0.160 nan 8.190 nan 0.000 0.447 539 R N 0.183 120.628 120.500 -0.093 0.000 2.080 539 R HA -0.181 4.159 4.340 -0.000 0.000 0.236 539 R C 2.235 178.445 176.300 -0.150 0.000 1.137 539 R CA 1.842 57.870 56.100 -0.119 0.000 0.943 539 R CB -0.297 29.886 30.300 -0.195 0.000 0.846 539 R HN 0.485 nan 8.270 nan 0.000 0.431 540 E N -0.275 119.784 120.200 -0.234 0.000 2.268 540 E HA -0.140 4.209 4.350 -0.000 0.000 0.195 540 E C 1.467 178.106 176.600 0.065 0.000 0.995 540 E CA 0.719 57.005 56.400 -0.189 0.000 0.836 540 E CB -0.147 29.335 29.700 -0.364 0.000 0.763 540 E HN 0.297 nan 8.360 nan 0.000 0.491 541 F N 0.701 120.628 119.950 -0.038 0.000 2.773 541 F HA 0.097 4.623 4.527 -0.000 0.000 0.304 541 F C 0.789 176.630 175.800 0.068 0.000 1.129 541 F CA -0.144 57.919 58.000 0.105 0.000 1.378 541 F CB -0.508 38.700 39.000 0.346 0.000 1.095 541 F HN -0.055 nan 8.300 nan 0.000 0.565 542 N N 0.502 119.276 118.700 0.124 0.000 2.735 542 N HA -0.217 4.523 4.740 -0.000 0.000 0.248 542 N C 1.114 176.679 175.510 0.092 0.000 1.083 542 N CA 1.085 54.167 53.050 0.054 0.000 0.703 542 N CB -1.037 37.457 38.487 0.012 0.000 1.005 542 N HN 0.596 nan 8.380 nan 0.000 0.550 543 G N -1.400 107.480 108.800 0.133 0.000 2.241 543 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.244 543 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.244 543 G C 0.047 175.081 174.900 0.225 0.000 0.998 543 G CA 0.426 45.608 45.100 0.136 0.000 0.621 543 G HN 0.450 nan 8.290 nan 0.000 0.519 544 K N 0.671 121.241 120.400 0.284 0.000 2.294 544 K HA 0.325 4.645 4.320 -0.000 0.000 0.288 544 K C -0.832 176.079 176.600 0.518 0.000 1.072 544 K CA -0.130 56.347 56.287 0.316 0.000 0.960 544 K CB -0.004 32.658 32.500 0.271 0.000 1.043 544 K HN 0.422 nan 8.250 nan 0.000 0.455 545 W N 3.688 125.058 121.300 0.118 0.000 3.901 545 W HA 0.055 4.715 4.660 -0.000 0.000 0.274 545 W C -1.616 174.929 176.519 0.044 0.000 1.278 545 W CA -0.735 56.658 57.345 0.081 0.000 1.235 545 W CB 1.303 30.790 29.460 0.045 0.000 1.261 545 W HN 0.670 nan 8.180 nan 0.000 0.546 546 D N 1.915 122.188 120.400 -0.211 0.000 2.825 546 D HA 0.296 4.936 4.640 -0.000 0.000 0.327 546 D C 1.110 177.330 176.300 -0.134 0.000 1.277 546 D CA -0.514 53.443 54.000 -0.073 0.000 0.950 546 D CB 0.410 41.186 40.800 -0.041 0.000 1.438 546 D HN 0.386 nan 8.370 nan 0.000 0.526 547 R N -0.363 120.164 120.500 0.045 0.000 2.152 547 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 547 R C 0.832 177.220 176.300 0.147 0.000 1.117 547 R CA 0.598 56.838 56.100 0.233 0.000 0.981 547 R CB -0.381 30.139 30.300 0.366 0.000 0.870 547 R HN 0.075 nan 8.270 nan 0.000 0.451 548 K N 0.497 120.834 120.400 -0.105 0.000 2.519 548 K HA 0.003 4.322 4.320 -0.000 0.000 0.196 548 K C 1.714 178.242 176.600 -0.120 0.000 1.041 548 K CA 0.746 56.894 56.287 -0.232 0.000 0.954 548 K CB -0.105 32.200 32.500 -0.326 0.000 0.774 548 K HN 0.302 nan 8.250 nan 0.000 0.480 549 M N 0.515 119.956 119.600 -0.264 0.000 2.319 549 M HA -0.067 4.413 4.480 -0.000 0.000 0.265 549 M C 0.274 176.510 176.300 -0.108 0.000 1.068 549 M CA 1.141 56.188 55.300 -0.422 0.000 1.118 549 M CB -0.334 31.505 32.600 -1.268 0.000 1.395 549 M HN -0.037 nan 8.290 nan 0.000 0.435 550 D N -0.795 119.670 120.400 0.108 0.000 2.460 550 D HA 0.089 4.729 4.640 -0.000 0.000 0.229 550 D C -0.596 175.922 176.300 0.363 0.000 1.170 550 D CA 0.102 54.243 54.000 0.236 0.000 0.827 550 D CB -0.013 40.972 40.800 0.308 0.000 0.973 550 D HN 0.144 nan 8.370 nan 0.000 0.496 551 Y N 1.659 122.032 120.300 0.121 0.000 2.361 551 Y HA 0.281 4.831 4.550 -0.000 0.000 0.332 551 Y C -1.815 174.101 175.900 0.027 0.000 1.101 551 Y CA -2.474 55.703 58.100 0.129 0.000 1.137 551 Y CB 1.203 39.701 38.460 0.062 0.000 1.207 551 Y HN -0.087 nan 8.280 nan 0.000 0.463 552 P HA 0.169 nan 4.420 nan 0.000 0.276 552 P C -2.723 174.474 177.300 -0.171 0.000 1.261 552 P CA -1.740 61.323 63.100 -0.062 0.000 0.800 552 P CB 0.049 31.781 31.700 0.054 0.000 1.066 553 P HA -0.076 nan 4.420 nan 0.000 0.261 553 P C 1.027 178.115 177.300 -0.353 0.000 1.173 553 P CA 0.368 63.060 63.100 -0.680 0.000 0.760 553 P CB 0.169 31.160 31.700 -1.182 0.000 0.783 554 K N 4.482 124.797 120.400 -0.142 0.000 2.442 554 K HA -0.195 4.125 4.320 -0.000 0.000 0.199 554 K C 1.707 178.375 176.600 0.114 0.000 1.044 554 K CA 1.259 57.623 56.287 0.129 0.000 0.941 554 K CB -0.030 32.540 32.500 0.116 0.000 0.759 554 K HN 0.365 nan 8.250 nan 0.000 0.472 555 R N -0.717 119.723 120.500 -0.101 0.000 2.148 555 R HA -0.091 4.248 4.340 -0.000 0.000 0.223 555 R C 1.238 177.627 176.300 0.150 0.000 1.088 555 R CA 0.896 57.006 56.100 0.017 0.000 0.985 555 R CB -0.248 30.025 30.300 -0.044 0.000 0.880 555 R HN 0.146 nan 8.270 nan 0.000 0.451 556 W N -0.081 121.091 121.300 -0.213 0.000 2.961 556 W HA 0.082 4.742 4.660 -0.000 0.000 0.240 556 W C 0.653 176.992 176.519 -0.300 0.000 1.305 556 W CA 0.168 57.286 57.345 -0.378 0.000 1.465 556 W CB -0.312 28.778 29.460 -0.617 0.000 1.135 556 W HN 0.154 nan 8.180 nan 0.000 0.688 557 F N -0.744 119.350 119.950 0.240 0.000 2.557 557 F HA -0.008 4.519 4.527 -0.000 0.000 0.278 557 F C 2.506 178.243 175.800 -0.104 0.000 1.051 557 F CA 1.593 59.659 58.000 0.108 0.000 1.357 557 F CB -0.907 38.150 39.000 0.095 0.000 1.104 557 F HN -0.244 nan 8.300 nan 0.000 0.654 558 T N -2.351 112.307 114.554 0.174 0.000 3.107 558 T HA 0.226 4.576 4.350 -0.000 0.000 0.249 558 T C 0.313 175.048 174.700 0.058 0.000 1.096 558 T CA 0.213 62.349 62.100 0.059 0.000 1.012 558 T CB -0.197 68.737 68.868 0.109 0.000 0.977 558 T HN 0.130 nan 8.240 nan 0.000 0.527 559 E N -0.514 119.784 120.200 0.163 0.000 2.416 559 E HA 0.634 4.984 4.350 -0.000 0.000 0.273 559 E C -0.590 176.161 176.600 0.251 0.000 0.935 559 E CA -1.398 55.128 56.400 0.210 0.000 0.784 559 E CB 2.170 32.056 29.700 0.310 0.000 1.301 559 E HN 0.286 nan 8.360 nan 0.000 0.454 560 G N 0.326 109.107 108.800 -0.030 0.000 3.015 560 G HA2 0.566 4.526 3.960 -0.000 0.000 0.281 560 G HA3 0.566 4.526 3.960 -0.000 0.000 0.281 560 G C -0.751 173.695 174.900 -0.756 0.000 1.386 560 G CA -0.898 44.024 45.100 -0.297 0.000 0.959 560 G HN 0.311 nan 8.290 nan 0.000 0.522 561 L N 0.491 121.307 121.223 -0.677 0.000 2.499 561 L HA 0.123 4.463 4.340 -0.000 0.000 0.281 561 L C 1.238 177.948 176.870 -0.266 0.000 1.234 561 L CA -0.312 54.240 54.840 -0.480 0.000 0.839 561 L CB 0.673 42.571 42.059 -0.268 0.000 1.104 561 L HN 0.415 nan 8.230 nan 0.000 0.500 562 K N 0.737 121.045 120.400 -0.155 0.000 2.374 562 K HA 0.170 4.489 4.320 -0.000 0.000 0.196 562 K C 0.048 176.601 176.600 -0.077 0.000 1.023 562 K CA 0.212 56.447 56.287 -0.087 0.000 1.103 562 K CB 0.264 32.745 32.500 -0.032 0.000 0.848 562 K HN 0.691 nan 8.250 nan 0.000 0.528 563 S N -1.555 114.081 115.700 -0.107 0.000 2.587 563 S HA 0.691 5.160 4.470 -0.000 0.000 0.269 563 S C -0.063 174.350 174.600 -0.313 0.000 1.154 563 S CA -0.213 57.898 58.200 -0.148 0.000 0.824 563 S CB 1.978 65.130 63.200 -0.079 0.000 1.118 563 S HN 0.399 nan 8.310 nan 0.000 0.462 564 G N 1.279 109.875 108.800 -0.340 0.000 2.710 564 G HA2 0.027 3.987 3.960 -0.000 0.000 0.668 564 G HA3 0.027 3.987 3.960 -0.000 0.000 0.668 564 G C -2.083 172.544 174.900 -0.454 0.000 1.320 564 G CA -0.197 44.591 45.100 -0.521 0.000 0.860 564 G HN 0.786 nan 8.290 nan 0.000 0.538 565 P HA -0.079 nan 4.420 nan 0.000 0.221 565 P C 0.757 177.765 177.300 -0.488 0.000 1.145 565 P CA 1.426 64.287 63.100 -0.399 0.000 0.795 565 P CB -0.037 31.437 31.700 -0.377 0.000 0.775 566 H N -0.700 118.125 119.070 -0.409 0.000 2.507 566 H HA 0.187 4.743 4.556 -0.000 0.000 0.294 566 H C 0.714 175.856 175.328 -0.309 0.000 1.064 566 H CA -0.414 55.441 56.048 -0.321 0.000 1.138 566 H CB 0.067 29.639 29.762 -0.317 0.000 1.515 566 H HN 0.210 nan 8.280 nan 0.000 0.547 567 K N 0.256 120.519 120.400 -0.228 0.000 2.484 567 K HA 0.094 4.414 4.320 -0.000 0.000 0.280 567 K C 1.171 177.691 176.600 -0.132 0.000 1.013 567 K CA 1.138 57.310 56.287 -0.190 0.000 1.029 567 K CB 0.245 32.639 32.500 -0.176 0.000 0.902 567 K HN 0.376 nan 8.250 nan 0.000 0.481 568 G N 2.535 111.260 108.800 -0.125 0.000 2.253 568 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.251 568 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.251 568 G C -0.316 174.559 174.900 -0.041 0.000 0.998 568 G CA 0.272 45.333 45.100 -0.065 0.000 0.621 568 G HN 0.682 nan 8.290 nan 0.000 0.524 569 E N 1.035 121.174 120.200 -0.101 0.000 2.373 569 E HA 0.515 4.865 4.350 -0.000 0.000 0.267 569 E C 0.587 177.140 176.600 -0.079 0.000 1.032 569 E CA 0.430 56.743 56.400 -0.144 0.000 0.889 569 E CB 0.442 30.080 29.700 -0.103 0.000 0.984 569 E HN 0.848 nan 8.360 nan 0.000 0.425 570 H N 0.132 119.230 119.070 0.046 0.000 3.161 570 H HA 0.493 5.049 4.556 -0.000 0.000 0.285 570 H C -1.071 174.325 175.328 0.114 0.000 1.588 570 H CA -0.961 55.163 56.048 0.126 0.000 1.218 570 H CB 0.296 30.175 29.762 0.195 0.000 1.841 570 H HN 0.259 nan 8.280 nan 0.000 0.623 571 L N 0.480 121.912 121.223 0.348 0.000 2.379 571 L HA 0.285 4.625 4.340 -0.000 0.000 0.269 571 L C -0.191 177.045 176.870 0.610 0.000 1.084 571 L CA -0.660 54.360 54.840 0.300 0.000 0.802 571 L CB 0.902 42.846 42.059 -0.193 0.000 1.175 571 L HN 0.642 nan 8.230 nan 0.000 0.448 572 D N 1.047 121.784 120.400 0.562 0.000 2.317 572 D HA 0.043 4.683 4.640 -0.000 0.000 0.234 572 D C 0.696 177.256 176.300 0.433 0.000 1.112 572 D CA -0.214 54.014 54.000 0.380 0.000 0.840 572 D CB 1.726 42.533 40.800 0.011 0.000 1.078 572 D HN 0.627 nan 8.370 nan 0.000 0.486 573 E N 3.836 124.258 120.200 0.371 0.000 2.049 573 E HA -0.272 4.078 4.350 -0.000 0.000 0.198 573 E C 1.112 177.791 176.600 0.132 0.000 1.007 573 E CA 1.733 58.177 56.400 0.073 0.000 0.809 573 E CB 0.251 29.896 29.700 -0.092 0.000 0.749 573 E HN 0.292 nan 8.360 nan 0.000 0.450 574 K N 0.389 120.835 120.400 0.076 0.000 2.002 574 K HA -0.077 4.243 4.320 -0.000 0.000 0.209 574 K C 2.231 178.817 176.600 -0.024 0.000 1.048 574 K CA 1.759 58.068 56.287 0.036 0.000 0.930 574 K CB -0.023 32.483 32.500 0.010 0.000 0.714 574 K HN 0.046 nan 8.250 nan 0.000 0.438 575 K N -0.318 119.984 120.400 -0.163 0.000 2.147 575 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 575 K C 2.179 178.645 176.600 -0.224 0.000 1.049 575 K CA 1.340 57.389 56.287 -0.397 0.000 0.936 575 K CB -0.257 31.585 32.500 -1.097 0.000 0.722 575 K HN 0.240 nan 8.250 nan 0.000 0.446 576 Y N 2.428 122.670 120.300 -0.096 0.000 2.184 576 Y HA -0.212 4.338 4.550 -0.000 0.000 0.290 576 Y C 2.011 177.917 175.900 0.010 0.000 1.129 576 Y CA 1.619 59.790 58.100 0.119 0.000 1.144 576 Y CB -0.424 38.184 38.460 0.246 0.000 0.995 576 Y HN 0.062 nan 8.280 nan 0.000 0.513 577 D N 0.025 120.433 120.400 0.013 0.000 2.172 577 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 577 D C 1.786 178.041 176.300 -0.074 0.000 0.999 577 D CA 1.955 55.966 54.000 0.018 0.000 0.856 577 D CB -0.063 40.848 40.800 0.185 0.000 0.934 577 D HN 0.610 nan 8.370 nan 0.000 0.453 578 E N -0.990 119.170 120.200 -0.066 0.000 2.216 578 E HA -0.081 4.268 4.350 -0.000 0.000 0.192 578 E C 1.811 178.362 176.600 -0.082 0.000 0.988 578 E CA 0.135 56.507 56.400 -0.047 0.000 0.834 578 E CB 0.035 29.720 29.700 -0.025 0.000 0.772 578 E HN 0.226 nan 8.360 nan 0.000 0.479 579 L N 0.727 121.865 121.223 -0.142 0.000 2.217 579 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 579 L C 1.899 178.611 176.870 -0.262 0.000 1.107 579 L CA 1.033 55.789 54.840 -0.140 0.000 0.783 579 L CB -0.173 41.832 42.059 -0.089 0.000 0.919 579 L HN 0.133 nan 8.230 nan 0.000 0.442 580 L N -1.152 119.809 121.223 -0.436 0.000 2.044 580 L HA -0.098 4.241 4.340 -0.000 0.000 0.205 580 L C 2.483 179.108 176.870 -0.407 0.000 1.075 580 L CA 1.852 56.394 54.840 -0.498 0.000 0.747 580 L CB -0.942 40.816 42.059 -0.501 0.000 0.903 580 L HN 0.228 nan 8.230 nan 0.000 0.435 581 S N -0.517 115.093 115.700 -0.150 0.000 2.419 581 S HA -0.223 4.247 4.470 -0.000 0.000 0.235 581 S C 1.812 176.436 174.600 0.040 0.000 1.019 581 S CA 1.356 59.592 58.200 0.060 0.000 0.982 581 S CB -0.277 62.985 63.200 0.104 0.000 0.789 581 S HN 0.535 nan 8.310 nan 0.000 0.490 582 E N 0.561 120.742 120.200 -0.031 0.000 2.152 582 E HA -0.102 4.247 4.350 -0.000 0.000 0.192 582 E C 1.671 178.244 176.600 -0.045 0.000 0.983 582 E CA 0.873 57.261 56.400 -0.021 0.000 0.818 582 E CB -0.404 29.283 29.700 -0.022 0.000 0.758 582 E HN 0.639 nan 8.360 nan 0.000 0.467 583 Y N -0.359 119.807 120.300 -0.222 0.000 2.200 583 Y HA -0.251 4.299 4.550 -0.000 0.000 0.290 583 Y C 1.521 177.301 175.900 -0.201 0.000 1.137 583 Y CA 1.876 59.820 58.100 -0.261 0.000 1.163 583 Y CB -0.373 37.876 38.460 -0.351 0.000 0.988 583 Y HN 0.071 nan 8.280 nan 0.000 0.518 584 Y N 0.507 120.804 120.300 -0.005 0.000 2.145 584 Y HA -0.216 4.334 4.550 -0.000 0.000 0.286 584 Y C 2.820 178.648 175.900 -0.120 0.000 1.145 584 Y CA 1.542 59.622 58.100 -0.033 0.000 1.148 584 Y CB -1.184 37.383 38.460 0.178 0.000 0.981 584 Y HN 0.122 nan 8.280 nan 0.000 0.507 585 R N 0.588 121.146 120.500 0.097 0.000 2.097 585 R HA -0.206 4.134 4.340 -0.000 0.000 0.236 585 R C 2.159 178.410 176.300 -0.082 0.000 1.135 585 R CA 2.298 58.411 56.100 0.022 0.000 0.934 585 R CB -0.717 29.592 30.300 0.016 0.000 0.846 585 R HN 0.330 nan 8.270 nan 0.000 0.431 586 I N 0.526 120.995 120.570 -0.169 0.000 2.335 586 I HA -0.275 3.895 4.170 -0.000 0.000 0.251 586 I C 2.546 178.465 176.117 -0.331 0.000 1.129 586 I CA 1.257 62.413 61.300 -0.241 0.000 1.402 586 I CB -0.162 37.661 38.000 -0.296 0.000 1.069 586 I HN 0.192 nan 8.210 nan 0.000 0.424 587 R N 0.314 120.527 120.500 -0.478 0.000 2.140 587 R HA 0.115 4.455 4.340 -0.000 0.000 0.213 587 R C 1.411 177.526 176.300 -0.309 0.000 1.059 587 R CA 0.958 56.672 56.100 -0.644 0.000 1.000 587 R CB 0.070 29.520 30.300 -1.417 0.000 0.910 587 R HN 0.472 nan 8.270 nan 0.000 0.455 588 G N 0.262 109.005 108.800 -0.095 0.000 2.131 588 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.201 588 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.201 588 G C -0.565 174.548 174.900 0.355 0.000 1.000 588 G CA -0.268 44.899 45.100 0.111 0.000 0.680 588 G HN 0.077 nan 8.290 nan 0.000 0.514 589 W N 1.122 122.433 121.300 0.019 0.000 2.497 589 W HA 0.642 5.302 4.660 -0.000 0.000 0.359 589 W C 0.483 176.951 176.519 -0.085 0.000 1.131 589 W CA -0.879 56.446 57.345 -0.034 0.000 1.280 589 W CB 0.581 30.031 29.460 -0.016 0.000 1.319 589 W HN 0.323 nan 8.180 nan 0.000 0.626 590 D N -0.442 119.989 120.400 0.052 0.000 2.437 590 D HA 0.108 4.747 4.640 -0.000 0.000 0.259 590 D C 0.543 176.739 176.300 -0.174 0.000 1.118 590 D CA -0.404 53.586 54.000 -0.017 0.000 1.017 590 D CB 0.643 41.438 40.800 -0.008 0.000 1.120 590 D HN 0.135 nan 8.370 nan 0.000 0.541 591 E N -0.657 119.531 120.200 -0.020 0.000 2.526 591 E HA -0.121 4.228 4.350 -0.000 0.000 0.205 591 E C 0.939 177.545 176.600 0.010 0.000 1.104 591 E CA 0.390 56.825 56.400 0.058 0.000 0.899 591 E CB -0.227 29.549 29.700 0.127 0.000 0.838 591 E HN 0.453 nan 8.360 nan 0.000 0.564 592 R N -1.502 118.935 120.500 -0.104 0.000 2.404 592 R HA 0.128 4.468 4.340 -0.000 0.000 0.237 592 R C 1.011 177.320 176.300 0.015 0.000 0.907 592 R CA 0.606 56.710 56.100 0.008 0.000 1.063 592 R CB 0.790 31.128 30.300 0.064 0.000 1.134 592 R HN 0.213 nan 8.270 nan 0.000 0.529 593 G N 1.083 109.662 108.800 -0.370 0.000 2.175 593 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.244 593 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.244 593 G C 0.094 174.957 174.900 -0.062 0.000 0.982 593 G CA -0.138 44.870 45.100 -0.152 0.000 0.641 593 G HN 0.180 nan 8.290 nan 0.000 0.527 594 I N 1.503 121.971 120.570 -0.169 0.000 2.385 594 I HA 0.342 4.511 4.170 -0.000 0.000 0.294 594 I C -1.999 173.880 176.117 -0.396 0.000 0.988 594 I CA -2.521 58.575 61.300 -0.340 0.000 1.265 594 I CB 1.529 39.423 38.000 -0.178 0.000 1.388 594 I HN -0.164 nan 8.210 nan 0.000 0.480 595 P HA 0.086 nan 4.420 nan 0.000 0.269 595 P C -0.872 176.353 177.300 -0.126 0.000 1.215 595 P CA -0.181 62.671 63.100 -0.413 0.000 0.780 595 P CB 0.494 31.925 31.700 -0.448 0.000 0.898 596 K N 1.610 122.017 120.400 0.011 0.000 2.090 596 K HA 0.229 4.549 4.320 -0.000 0.000 0.249 596 K C 1.289 177.884 176.600 -0.007 0.000 0.995 596 K CA -0.629 55.665 56.287 0.011 0.000 0.914 596 K CB 0.867 33.398 32.500 0.051 0.000 1.057 596 K HN 0.294 nan 8.250 nan 0.000 0.462 597 K N 1.094 121.488 120.400 -0.011 0.000 2.057 597 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 597 K C 1.638 178.234 176.600 -0.007 0.000 1.049 597 K CA 1.257 57.533 56.287 -0.018 0.000 0.931 597 K CB 0.078 32.572 32.500 -0.010 0.000 0.714 597 K HN 0.403 nan 8.250 nan 0.000 0.440 598 E N 0.428 120.632 120.200 0.008 0.000 2.153 598 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 598 E C 1.962 178.572 176.600 0.018 0.000 0.988 598 E CA 1.225 57.633 56.400 0.012 0.000 0.811 598 E CB -0.330 29.380 29.700 0.018 0.000 0.746 598 E HN 0.263 nan 8.360 nan 0.000 0.466 599 T N 1.055 115.629 114.554 0.033 0.000 2.770 599 T HA -0.023 4.327 4.350 -0.000 0.000 0.263 599 T C 2.119 176.836 174.700 0.029 0.000 1.039 599 T CA 0.676 62.810 62.100 0.056 0.000 1.142 599 T CB -0.202 68.745 68.868 0.132 0.000 0.868 599 T HN 0.082 nan 8.240 nan 0.000 0.435 600 L N 0.576 121.794 121.223 -0.008 0.000 1.989 600 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 600 L C 2.752 179.589 176.870 -0.054 0.000 1.071 600 L CA 1.521 56.321 54.840 -0.067 0.000 0.749 600 L CB -0.464 41.520 42.059 -0.126 0.000 0.890 600 L HN 0.194 nan 8.230 nan 0.000 0.431 601 K N -0.538 119.843 120.400 -0.031 0.000 2.032 601 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 601 K C 2.146 178.744 176.600 -0.004 0.000 1.048 601 K CA 1.272 57.552 56.287 -0.013 0.000 0.927 601 K CB -0.150 32.348 32.500 -0.003 0.000 0.712 601 K HN 0.111 nan 8.250 nan 0.000 0.441 602 E N 1.138 121.338 120.200 0.001 0.000 2.086 602 E HA -0.182 4.168 4.350 -0.000 0.000 0.200 602 E C 1.664 178.264 176.600 0.000 0.000 1.012 602 E CA 1.418 57.820 56.400 0.004 0.000 0.812 602 E CB -0.170 29.538 29.700 0.013 0.000 0.743 602 E HN 0.272 nan 8.360 nan 0.000 0.453 603 L N 0.613 121.837 121.223 0.002 0.000 2.612 603 L HA 0.046 4.386 4.340 -0.000 0.000 0.230 603 L C -0.108 176.754 176.870 -0.015 0.000 1.140 603 L CA 0.145 54.983 54.840 -0.003 0.000 0.896 603 L CB -0.133 41.937 42.059 0.018 0.000 1.065 603 L HN 0.013 nan 8.230 nan 0.000 0.447 604 D N 0.574 120.972 120.400 -0.003 0.000 2.809 604 D HA -0.164 4.476 4.640 -0.000 0.000 0.234 604 D C 0.305 176.659 176.300 0.090 0.000 1.111 604 D CA 0.587 54.606 54.000 0.031 0.000 0.726 604 D CB -1.132 39.670 40.800 0.004 0.000 1.089 604 D HN 0.354 nan 8.370 nan 0.000 0.436 605 L N 0.022 121.228 121.223 -0.027 0.000 3.288 605 L HA 0.112 4.452 4.340 -0.000 0.000 0.293 605 L C 1.172 177.802 176.870 -0.400 0.000 1.294 605 L CA -0.410 54.257 54.840 -0.289 0.000 1.006 605 L CB 0.496 42.314 42.059 -0.402 0.000 1.407 605 L HN -0.180 nan 8.230 nan 0.000 0.592 606 D N 1.141 121.496 120.400 -0.075 0.000 2.149 606 D HA -0.308 4.332 4.640 -0.000 0.000 0.194 606 D C 1.854 178.143 176.300 -0.018 0.000 1.001 606 D CA 1.795 55.781 54.000 -0.023 0.000 0.849 606 D CB -0.307 40.537 40.800 0.074 0.000 0.939 606 D HN 0.530 nan 8.370 nan 0.000 0.449 607 F N -0.050 119.936 119.950 0.060 0.000 2.411 607 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 607 F C 1.674 177.572 175.800 0.164 0.000 1.077 607 F CA 0.432 58.504 58.000 0.120 0.000 1.439 607 F CB -0.733 38.365 39.000 0.162 0.000 1.085 607 F HN -0.103 nan 8.300 nan 0.000 0.564 608 V N 0.909 120.471 119.914 -0.587 0.000 2.649 608 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 608 V C 2.485 178.553 176.094 -0.044 0.000 1.054 608 V CA 1.104 63.174 62.300 -0.384 0.000 1.073 608 V CB -0.347 30.977 31.823 -0.831 0.000 0.699 608 V HN 0.414 nan 8.190 nan 0.000 0.463 609 I N 1.047 121.571 120.570 -0.078 0.000 2.069 609 I HA -0.187 3.983 4.170 -0.000 0.000 0.237 609 I C 0.067 176.209 176.117 0.043 0.000 1.053 609 I CA 1.896 63.186 61.300 -0.017 0.000 1.311 609 I CB -1.772 36.217 38.000 -0.017 0.000 1.030 609 I HN 0.327 nan 8.210 nan 0.000 0.398 610 P HA -0.220 nan 4.420 nan 0.000 0.218 610 P C 1.254 178.604 177.300 0.083 0.000 1.154 610 P CA 1.781 64.928 63.100 0.078 0.000 0.872 610 P CB -0.207 31.554 31.700 0.101 0.000 0.790 611 E N -0.726 119.557 120.200 0.139 0.000 2.152 611 E HA -0.046 4.303 4.350 -0.000 0.000 0.192 611 E C 2.218 178.872 176.600 0.089 0.000 0.983 611 E CA 0.676 57.149 56.400 0.123 0.000 0.818 611 E CB -0.369 29.468 29.700 0.228 0.000 0.758 611 E HN 0.308 nan 8.360 nan 0.000 0.467 612 L N 0.558 121.844 121.223 0.104 0.000 2.240 612 L HA -0.078 4.261 4.340 -0.000 0.000 0.211 612 L C 2.079 178.960 176.870 0.019 0.000 1.106 612 L CA 0.675 55.544 54.840 0.050 0.000 0.793 612 L CB -0.058 42.010 42.059 0.016 0.000 0.927 612 L HN 0.067 nan 8.230 nan 0.000 0.446 613 E N 0.159 120.373 120.200 0.022 0.000 2.338 613 E HA -0.174 4.176 4.350 -0.000 0.000 0.197 613 E C 1.773 178.380 176.600 0.013 0.000 1.007 613 E CA 0.675 57.083 56.400 0.015 0.000 0.849 613 E CB 0.249 29.959 29.700 0.017 0.000 0.774 613 E HN 0.385 nan 8.360 nan 0.000 0.506 614 K N -0.333 120.074 120.400 0.011 0.000 2.305 614 K HA -0.041 4.279 4.320 -0.000 0.000 0.199 614 K C 1.819 178.418 176.600 -0.001 0.000 1.047 614 K CA 1.020 57.308 56.287 0.002 0.000 0.976 614 K CB 0.555 33.050 32.500 -0.008 0.000 0.765 614 K HN 0.102 nan 8.250 nan 0.000 0.474 615 V N -2.263 117.652 119.914 0.002 0.000 3.379 615 V HA 0.113 4.233 4.120 -0.000 0.000 0.249 615 V C 0.833 176.941 176.094 0.023 0.000 1.184 615 V CA 0.446 62.752 62.300 0.009 0.000 1.106 615 V CB 0.066 31.892 31.823 0.006 0.000 0.826 615 V HN 0.247 nan 8.190 nan 0.000 0.465 616 T N -0.945 113.620 114.554 0.019 0.000 2.637 616 T HA 0.380 4.729 4.350 -0.000 0.000 0.303 616 T C -1.250 173.459 174.700 0.015 0.000 1.288 616 T CA -0.472 61.643 62.100 0.025 0.000 1.040 616 T CB 1.384 70.275 68.868 0.037 0.000 1.644 616 T HN 0.525 nan 8.240 nan 0.000 0.480 617 N N 0.565 119.274 118.700 0.016 0.000 2.443 617 N HA 0.527 5.266 4.740 -0.000 0.000 0.295 617 N C -1.177 174.335 175.510 0.003 0.000 1.076 617 N CA -0.604 52.453 53.050 0.011 0.000 0.919 617 N CB 1.722 40.218 38.487 0.015 0.000 1.176 617 N HN 0.379 nan 8.380 nan 0.000 0.487 618 L N 0.625 121.847 121.223 -0.002 0.000 2.544 618 L HA 0.517 4.857 4.340 -0.000 0.000 0.256 618 L C 0.707 177.575 176.870 -0.004 0.000 1.097 618 L CA -0.375 54.458 54.840 -0.013 0.000 0.812 618 L CB 0.361 42.408 42.059 -0.020 0.000 1.440 618 L HN 0.699 nan 8.230 nan 0.000 0.496 619 E N 0.000 120.197 120.200 -0.005 0.000 2.725 619 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 619 E CA 0.000 56.404 56.400 0.007 0.000 0.976 619 E CB 0.000 29.708 29.700 0.014 0.000 0.812 619 E HN 0.000 nan 8.360 nan 0.000 0.440