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_B 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 0.000 176.220 176.300 -0.133 0.000 1.140 1 M CA 0.000 55.275 55.300 -0.042 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 Y N 2.655 122.975 120.300 0.033 0.000 2.534 2 Y HA 0.802 5.352 4.550 -0.000 0.000 0.329 2 Y C 1.272 177.060 175.900 -0.186 0.000 1.154 2 Y CA 0.966 59.007 58.100 -0.099 0.000 1.192 2 Y CB 1.944 40.334 38.460 -0.117 0.000 1.275 2 Y HN 1.001 nan 8.280 nan 0.000 0.491 3 G N -0.056 108.652 108.800 -0.153 0.000 4.825 3 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.224 3 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.224 3 G C 0.069 174.748 174.900 -0.367 0.000 1.356 3 G CA 0.169 45.038 45.100 -0.385 0.000 0.966 3 G HN 0.568 nan 8.290 nan 0.000 0.690 4 W N 0.214 121.449 121.300 -0.108 0.000 2.161 4 W HA 0.573 5.233 4.660 -0.000 0.000 0.344 4 W C 0.913 177.343 176.519 -0.149 0.000 1.262 4 W CA -0.367 56.948 57.345 -0.051 0.000 1.270 4 W CB 0.128 29.610 29.460 0.036 0.000 1.126 4 W HN 0.416 nan 8.180 nan 0.000 0.598 5 W N -0.499 120.970 121.300 0.283 0.000 2.762 5 W HA 0.191 4.851 4.660 -0.000 0.000 0.265 5 W C 1.861 178.409 176.519 0.049 0.000 1.263 5 W CA 0.730 58.154 57.345 0.131 0.000 1.411 5 W CB 0.014 29.542 29.460 0.114 0.000 1.065 5 W HN 0.700 nan 8.180 nan 0.000 0.609 6 G N 1.104 110.023 108.800 0.198 0.000 2.155 6 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.257 6 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.257 6 G C 0.172 175.070 174.900 -0.003 0.000 0.983 6 G CA -0.258 44.593 45.100 -0.415 0.000 0.676 6 G HN 0.218 nan 8.290 nan 0.000 0.528 7 R N -0.526 120.233 120.500 0.432 0.000 2.562 7 R HA 0.723 5.063 4.340 -0.000 0.000 0.298 7 R C -0.397 176.222 176.300 0.533 0.000 0.961 7 R CA -0.750 55.612 56.100 0.437 0.000 0.881 7 R CB 1.671 32.119 30.300 0.246 0.000 1.159 7 R HN 0.242 nan 8.270 nan 0.000 0.450 8 I N 3.385 124.217 120.570 0.436 0.000 2.466 8 I HA 0.194 4.364 4.170 -0.000 0.000 0.289 8 I C -0.699 175.547 176.117 0.215 0.000 1.026 8 I CA -1.171 60.316 61.300 0.312 0.000 1.078 8 I CB 2.064 40.186 38.000 0.205 0.000 1.249 8 I HN 0.260 nan 8.210 nan 0.000 0.429 9 L N 7.799 129.086 121.223 0.106 0.000 2.319 9 L HA 0.410 4.749 4.340 -0.000 0.000 0.280 9 L C -0.342 176.498 176.870 -0.050 0.000 1.099 9 L CA 0.216 54.997 54.840 -0.098 0.000 0.828 9 L CB 0.026 41.762 42.059 -0.538 0.000 1.150 9 L HN 0.457 nan 8.230 nan 0.000 0.442 10 R N 4.878 125.358 120.500 -0.033 0.000 2.494 10 R HA 0.665 5.005 4.340 -0.000 0.000 0.305 10 R C -1.406 174.874 176.300 -0.033 0.000 0.959 10 R CA -0.790 55.299 56.100 -0.019 0.000 0.864 10 R CB 1.678 31.978 30.300 -0.001 0.000 1.159 10 R HN 0.430 nan 8.270 nan 0.000 0.446 11 V N 2.874 122.772 119.914 -0.026 0.000 2.588 11 V HA 0.297 4.417 4.120 -0.000 0.000 0.304 11 V C -0.327 175.758 176.094 -0.015 0.000 1.042 11 V CA -0.930 61.353 62.300 -0.028 0.000 0.877 11 V CB 2.227 34.030 31.823 -0.034 0.000 0.996 11 V HN 0.629 nan 8.190 nan 0.000 0.425 12 N N 4.558 123.247 118.700 -0.018 0.000 2.558 12 N HA 0.360 5.100 4.740 -0.000 0.000 0.242 12 N C 0.760 176.260 175.510 -0.018 0.000 0.979 12 N CA -0.367 52.673 53.050 -0.016 0.000 0.931 12 N CB 1.454 39.930 38.487 -0.019 0.000 1.122 12 N HN 0.653 nan 8.380 nan 0.000 0.508 13 L N 1.535 122.751 121.223 -0.012 0.000 2.079 13 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 13 L C 1.869 178.726 176.870 -0.022 0.000 1.081 13 L CA 1.165 55.997 54.840 -0.014 0.000 0.752 13 L CB -0.472 41.586 42.059 -0.002 0.000 0.896 13 L HN 0.459 nan 8.230 nan 0.000 0.433 14 T N -1.120 113.422 114.554 -0.021 0.000 2.643 14 T HA -0.187 4.163 4.350 -0.000 0.000 0.264 14 T C 1.828 176.512 174.700 -0.026 0.000 1.045 14 T CA 2.170 64.255 62.100 -0.025 0.000 1.155 14 T CB -0.346 68.508 68.868 -0.023 0.000 0.863 14 T HN 0.536 nan 8.240 nan 0.000 0.420 15 T N -1.613 112.926 114.554 -0.024 0.000 3.044 15 T HA 0.410 4.760 4.350 -0.000 0.000 0.250 15 T C 1.815 176.499 174.700 -0.026 0.000 1.081 15 T CA 0.921 63.006 62.100 -0.024 0.000 1.040 15 T CB 0.015 68.870 68.868 -0.022 0.000 0.962 15 T HN 0.579 nan 8.240 nan 0.000 0.506 16 G N 1.341 110.125 108.800 -0.027 0.000 2.184 16 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.264 16 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.264 16 G C -0.125 174.758 174.900 -0.029 0.000 0.975 16 G CA 0.356 45.438 45.100 -0.031 0.000 0.642 16 G HN 0.864 nan 8.290 nan 0.000 0.536 17 E N 0.204 120.390 120.200 -0.024 0.000 2.384 17 E HA 0.410 4.760 4.350 -0.000 0.000 0.266 17 E C -0.398 176.190 176.600 -0.021 0.000 1.012 17 E CA -0.120 56.269 56.400 -0.020 0.000 0.901 17 E CB 0.737 30.428 29.700 -0.016 0.000 0.967 17 E HN 0.205 nan 8.360 nan 0.000 0.435 18 V N 5.710 125.613 119.914 -0.019 0.000 2.577 18 V HA 0.388 4.508 4.120 -0.000 0.000 0.303 18 V C -0.317 175.773 176.094 -0.008 0.000 1.042 18 V CA -0.651 61.636 62.300 -0.022 0.000 0.872 18 V CB 1.606 33.410 31.823 -0.031 0.000 0.998 18 V HN 0.738 nan 8.190 nan 0.000 0.423 19 K N 3.179 123.579 120.400 -0.002 0.000 2.318 19 K HA 0.887 5.207 4.320 -0.000 0.000 0.265 19 K C -1.847 174.779 176.600 0.044 0.000 1.055 19 K CA -0.981 55.319 56.287 0.023 0.000 0.896 19 K CB 2.612 35.126 32.500 0.024 0.000 1.479 19 K HN 0.188 nan 8.250 nan 0.000 0.449 20 V N 1.757 121.718 119.914 0.079 0.000 2.443 20 V HA 0.192 4.311 4.120 -0.000 0.000 0.293 20 V C -0.692 175.480 176.094 0.130 0.000 1.021 20 V CA -0.643 61.736 62.300 0.132 0.000 0.848 20 V CB 1.392 33.322 31.823 0.179 0.000 0.998 20 V HN 0.767 nan 8.190 nan 0.000 0.424 21 Q N 4.649 124.540 119.800 0.151 0.000 2.243 21 Q HA 0.459 4.799 4.340 -0.000 0.000 0.252 21 Q C -0.652 175.492 176.000 0.240 0.000 0.909 21 Q CA -0.492 55.409 55.803 0.164 0.000 0.922 21 Q CB 1.595 30.420 28.738 0.146 0.000 1.215 21 Q HN 0.712 nan 8.270 nan 0.000 0.427 22 E N 3.535 123.857 120.200 0.204 0.000 2.174 22 E HA 0.195 4.544 4.350 -0.000 0.000 0.282 22 E C -1.295 175.462 176.600 0.261 0.000 0.992 22 E CA -0.568 55.952 56.400 0.199 0.000 0.803 22 E CB 0.794 30.558 29.700 0.105 0.000 1.090 22 E HN 0.558 nan 8.360 nan 0.000 0.396 23 Y N 0.922 121.302 120.300 0.133 0.000 2.429 23 Y HA 0.578 5.127 4.550 -0.000 0.000 0.342 23 Y C -2.675 173.228 175.900 0.006 0.000 1.004 23 Y CA -3.653 54.520 58.100 0.121 0.000 1.075 23 Y CB -0.019 38.565 38.460 0.206 0.000 1.214 23 Y HN 0.307 nan 8.280 nan 0.000 0.455 24 P HA -0.095 nan 4.420 nan 0.000 0.272 24 P C 0.285 177.396 177.300 -0.314 0.000 1.225 24 P CA 0.248 63.258 63.100 -0.148 0.000 0.800 24 P CB 0.712 32.364 31.700 -0.080 0.000 0.894 25 E N 0.102 120.143 120.200 -0.265 0.000 2.447 25 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 25 E C 1.294 177.681 176.600 -0.355 0.000 1.028 25 E CA 0.119 56.309 56.400 -0.349 0.000 0.876 25 E CB 0.224 29.791 29.700 -0.222 0.000 0.885 25 E HN 0.432 nan 8.360 nan 0.000 0.500 26 E N 0.139 120.194 120.200 -0.242 0.000 2.230 26 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 26 E C 2.053 178.521 176.600 -0.221 0.000 0.987 26 E CA 0.403 56.679 56.400 -0.206 0.000 0.841 26 E CB -0.258 29.363 29.700 -0.132 0.000 0.783 26 E HN 0.098 nan 8.360 nan 0.000 0.481 27 V N 2.121 121.897 119.914 -0.231 0.000 2.358 27 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 27 V C 2.611 178.616 176.094 -0.149 0.000 1.047 27 V CA 1.962 64.114 62.300 -0.247 0.000 1.035 27 V CB -0.738 30.780 31.823 -0.508 0.000 0.658 27 V HN 0.406 nan 8.190 nan 0.000 0.452 28 A N -0.753 121.898 122.820 -0.283 0.000 1.855 28 A HA -0.224 4.096 4.320 -0.000 0.000 0.215 28 A C 2.322 179.543 177.584 -0.606 0.000 1.191 28 A CA 1.885 53.601 52.037 -0.534 0.000 0.613 28 A CB -0.495 17.699 19.000 -1.343 0.000 0.829 28 A HN 0.453 nan 8.150 nan 0.000 0.442 29 K N -0.445 119.549 120.400 -0.678 0.000 2.063 29 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 29 K C 2.222 178.831 176.600 0.015 0.000 1.048 29 K CA 1.617 57.775 56.287 -0.217 0.000 0.928 29 K CB -0.167 32.214 32.500 -0.198 0.000 0.713 29 K HN 0.372 nan 8.250 nan 0.000 0.442 30 K N -0.344 119.971 120.400 -0.143 0.000 2.025 30 K HA -0.103 4.216 4.320 -0.000 0.000 0.207 30 K C 1.688 178.055 176.600 -0.389 0.000 1.049 30 K CA 1.440 57.552 56.287 -0.292 0.000 0.933 30 K CB 0.022 32.252 32.500 -0.450 0.000 0.714 30 K HN 0.070 nan 8.250 nan 0.000 0.438 31 F N -0.057 119.865 119.950 -0.048 0.000 2.695 31 F HA 0.226 4.752 4.527 -0.000 0.000 0.303 31 F C 1.262 177.106 175.800 0.073 0.000 1.091 31 F CA -0.135 57.870 58.000 0.008 0.000 1.300 31 F CB 0.017 39.001 39.000 -0.028 0.000 1.071 31 F HN -0.034 nan 8.300 nan 0.000 0.578 32 I N -0.575 120.148 120.570 0.255 0.000 4.154 32 I HA -0.443 3.727 4.170 -0.000 0.000 0.103 32 I C 1.194 177.595 176.117 0.473 0.000 0.534 32 I CA 1.642 63.177 61.300 0.391 0.000 1.134 32 I CB -1.410 36.687 38.000 0.162 0.000 1.004 32 I HN 0.383 nan 8.210 nan 0.000 0.192 33 G N -2.238 106.756 108.800 0.324 0.000 2.350 33 G HA2 0.503 4.463 3.960 -0.000 0.000 0.276 33 G HA3 0.503 4.463 3.960 -0.000 0.000 0.276 33 G C 0.264 175.297 174.900 0.221 0.000 1.313 33 G CA 0.073 45.353 45.100 0.301 0.000 0.903 33 G HN 1.404 nan 8.290 nan 0.000 0.490 34 G N 0.234 109.160 108.800 0.209 0.000 2.699 34 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.347 34 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.347 34 G C 1.621 176.621 174.900 0.167 0.000 1.225 34 G CA 2.564 47.770 45.100 0.177 0.000 0.973 34 G HN 1.569 nan 8.290 nan 0.000 0.551 35 R N 1.457 122.057 120.500 0.166 0.000 2.115 35 R HA 0.082 4.422 4.340 -0.000 0.000 0.226 35 R C 2.827 179.219 176.300 0.153 0.000 1.100 35 R CA 2.058 58.265 56.100 0.180 0.000 0.980 35 R CB -0.993 29.412 30.300 0.175 0.000 0.875 35 R HN 0.667 nan 8.270 nan 0.000 0.445 36 G N 1.803 110.715 108.800 0.186 0.000 2.480 36 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.216 36 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.216 36 G C 1.292 176.318 174.900 0.211 0.000 1.200 36 G CA 0.819 46.083 45.100 0.275 0.000 0.782 36 G HN 0.310 nan 8.290 nan 0.000 0.554 37 L N 1.403 122.736 121.223 0.184 0.000 2.079 37 L HA 0.063 4.403 4.340 -0.000 0.000 0.210 37 L C 3.110 180.039 176.870 0.099 0.000 1.081 37 L CA 2.154 57.063 54.840 0.115 0.000 0.752 37 L CB -0.620 41.505 42.059 0.110 0.000 0.896 37 L HN 0.267 nan 8.230 nan 0.000 0.433 38 A N -0.862 122.020 122.820 0.103 0.000 1.933 38 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 38 A C 2.427 180.060 177.584 0.082 0.000 1.175 38 A CA 1.659 53.753 52.037 0.094 0.000 0.628 38 A CB -1.005 18.088 19.000 0.156 0.000 0.814 38 A HN 0.540 nan 8.150 nan 0.000 0.444 39 A N -1.428 121.413 122.820 0.035 0.000 1.898 39 A HA -0.097 4.222 4.320 -0.000 0.000 0.216 39 A C 1.955 179.527 177.584 -0.021 0.000 1.181 39 A CA 1.513 53.501 52.037 -0.082 0.000 0.620 39 A CB -0.876 17.996 19.000 -0.213 0.000 0.819 39 A HN 0.881 nan 8.150 nan 0.000 0.442 40 W N 0.967 122.050 121.300 -0.363 0.000 2.335 40 W HA -0.196 4.463 4.660 -0.000 0.000 0.311 40 W C 1.681 178.093 176.519 -0.178 0.000 1.213 40 W CA 1.949 59.000 57.345 -0.490 0.000 1.274 40 W CB -0.454 28.356 29.460 -1.083 0.000 1.148 40 W HN 0.297 nan 8.180 nan 0.000 0.498 41 I N 0.268 120.617 120.570 -0.368 0.000 2.179 41 I HA -0.350 3.820 4.170 -0.000 0.000 0.242 41 I C 2.607 178.560 176.117 -0.273 0.000 1.088 41 I CA 1.499 62.510 61.300 -0.481 0.000 1.357 41 I CB -0.874 36.962 38.000 -0.274 0.000 1.051 41 I HN -0.003 nan 8.210 nan 0.000 0.409 42 L N -0.137 121.000 121.223 -0.142 0.000 2.083 42 L HA -0.249 4.091 4.340 -0.000 0.000 0.209 42 L C 2.509 179.389 176.870 0.017 0.000 1.083 42 L CA 1.380 56.146 54.840 -0.124 0.000 0.752 42 L CB -0.578 41.334 42.059 -0.245 0.000 0.899 42 L HN 0.582 nan 8.230 nan 0.000 0.433 43 W N 1.305 122.562 121.300 -0.071 0.000 2.335 43 W HA -0.244 4.416 4.660 -0.000 0.000 0.311 43 W C 2.157 178.692 176.519 0.027 0.000 1.213 43 W CA 1.642 59.066 57.345 0.132 0.000 1.274 43 W CB -0.285 29.255 29.460 0.134 0.000 1.148 43 W HN 0.255 nan 8.180 nan 0.000 0.498 44 N N 0.233 118.887 118.700 -0.077 0.000 2.250 44 N HA -0.128 4.612 4.740 -0.000 0.000 0.181 44 N C 1.448 176.819 175.510 -0.231 0.000 1.017 44 N CA 1.570 54.488 53.050 -0.220 0.000 0.866 44 N CB -0.307 37.985 38.487 -0.325 0.000 0.985 44 N HN 0.429 nan 8.380 nan 0.000 0.429 45 E N -0.305 119.770 120.200 -0.208 0.000 2.431 45 E HA 0.191 4.541 4.350 -0.000 0.000 0.200 45 E C 0.085 176.618 176.600 -0.111 0.000 0.995 45 E CA -0.059 56.242 56.400 -0.164 0.000 0.915 45 E CB 0.666 30.261 29.700 -0.175 0.000 0.930 45 E HN 0.122 nan 8.360 nan 0.000 0.496 46 A N 2.177 124.958 122.820 -0.065 0.000 3.219 46 A HA 0.253 4.573 4.320 -0.000 0.000 0.314 46 A C -0.004 177.582 177.584 0.002 0.000 1.081 46 A CA -0.412 51.621 52.037 -0.007 0.000 0.995 46 A CB -0.347 18.679 19.000 0.044 0.000 1.067 46 A HN -0.039 nan 8.150 nan 0.000 0.533 47 R N 0.607 121.037 120.500 -0.117 0.000 2.205 47 R HA 0.438 4.778 4.340 -0.000 0.000 0.342 47 R C 1.149 177.346 176.300 -0.171 0.000 1.058 47 R CA 1.027 57.001 56.100 -0.210 0.000 0.904 47 R CB 0.021 30.157 30.300 -0.274 0.000 1.089 47 R HN 1.034 nan 8.270 nan 0.000 0.471 48 G N 2.789 111.477 108.800 -0.186 0.000 2.168 48 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.263 48 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.263 48 G C 0.197 175.034 174.900 -0.105 0.000 0.977 48 G CA 0.379 45.391 45.100 -0.146 0.000 0.659 48 G HN 0.715 nan 8.290 nan 0.000 0.533 49 V N -2.452 117.411 119.914 -0.085 0.000 3.051 49 V HA 0.668 4.788 4.120 -0.000 0.000 0.306 49 V C 0.510 176.570 176.094 -0.056 0.000 1.083 49 V CA -1.043 61.220 62.300 -0.062 0.000 1.104 49 V CB 1.487 33.282 31.823 -0.047 0.000 1.027 49 V HN 0.196 nan 8.190 nan 0.000 0.483 50 E N 3.933 124.103 120.200 -0.050 0.000 2.223 50 E HA 0.259 4.609 4.350 -0.000 0.000 0.282 50 E C -1.811 174.767 176.600 -0.037 0.000 1.046 50 E CA -1.974 54.398 56.400 -0.046 0.000 0.857 50 E CB 1.613 31.288 29.700 -0.041 0.000 1.055 50 E HN 0.585 nan 8.360 nan 0.000 0.409 51 P HA -0.137 nan 4.420 nan 0.000 0.218 51 P C 0.849 178.132 177.300 -0.027 0.000 1.146 51 P CA 1.140 64.221 63.100 -0.032 0.000 0.813 51 P CB 0.299 31.980 31.700 -0.032 0.000 0.778 52 L N -1.915 119.294 121.223 -0.024 0.000 2.728 52 L HA 0.166 4.506 4.340 -0.000 0.000 0.238 52 L C 1.001 177.863 176.870 -0.013 0.000 1.143 52 L CA -0.105 54.726 54.840 -0.015 0.000 0.937 52 L CB -0.107 41.944 42.059 -0.013 0.000 1.225 52 L HN 0.001 nan 8.230 nan 0.000 0.507 53 S N -1.067 114.621 115.700 -0.020 0.000 2.652 53 S HA 0.339 4.809 4.470 -0.000 0.000 0.270 53 S C -1.795 172.793 174.600 -0.019 0.000 1.243 53 S CA -1.138 57.049 58.200 -0.021 0.000 0.999 53 S CB 1.231 64.413 63.200 -0.029 0.000 0.973 53 S HN -0.150 nan 8.310 nan 0.000 0.544 54 P HA -0.016 nan 4.420 nan 0.000 0.222 54 P C 0.725 178.011 177.300 -0.023 0.000 1.147 54 P CA 0.955 64.044 63.100 -0.017 0.000 0.790 54 P CB -0.031 31.657 31.700 -0.020 0.000 0.780 55 E N -1.021 119.161 120.200 -0.029 0.000 2.338 55 E HA -0.079 4.271 4.350 -0.000 0.000 0.197 55 E C 0.865 177.443 176.600 -0.038 0.000 1.007 55 E CA 0.333 56.712 56.400 -0.037 0.000 0.849 55 E CB -0.948 28.727 29.700 -0.043 0.000 0.774 55 E HN 0.214 nan 8.360 nan 0.000 0.506 56 N N 1.852 120.532 118.700 -0.033 0.000 2.479 56 N HA -0.038 4.702 4.740 -0.000 0.000 0.257 56 N C -0.695 174.792 175.510 -0.039 0.000 1.232 56 N CA 0.138 53.166 53.050 -0.036 0.000 0.920 56 N CB 0.471 38.938 38.487 -0.034 0.000 1.105 56 N HN -0.251 nan 8.380 nan 0.000 0.444 57 K N 2.816 123.184 120.400 -0.054 0.000 2.213 57 K HA 0.296 4.616 4.320 -0.000 0.000 0.270 57 K C -0.717 175.839 176.600 -0.073 0.000 1.002 57 K CA -0.818 55.434 56.287 -0.057 0.000 0.868 57 K CB 1.401 33.856 32.500 -0.075 0.000 1.093 57 K HN 0.423 nan 8.250 nan 0.000 0.454 58 L N 5.000 126.196 121.223 -0.045 0.000 2.262 58 L HA 0.433 4.773 4.340 -0.000 0.000 0.288 58 L C -0.840 175.969 176.870 -0.103 0.000 1.035 58 L CA -0.309 54.477 54.840 -0.090 0.000 0.820 58 L CB 0.336 42.402 42.059 0.012 0.000 1.204 58 L HN 0.502 nan 8.230 nan 0.000 0.424 59 I N 5.226 125.653 120.570 -0.238 0.000 2.412 59 I HA 0.349 4.519 4.170 -0.000 0.000 0.296 59 I C -0.954 174.947 176.117 -0.360 0.000 0.987 59 I CA -0.225 60.978 61.300 -0.162 0.000 1.180 59 I CB 1.289 39.236 38.000 -0.089 0.000 1.340 59 I HN 0.403 nan 8.210 nan 0.000 0.455 60 F N 5.166 125.138 119.950 0.038 0.000 2.359 60 F HA 0.602 5.128 4.527 -0.000 0.000 0.369 60 F C 0.352 176.205 175.800 0.088 0.000 1.084 60 F CA -0.541 57.497 58.000 0.062 0.000 1.096 60 F CB 1.314 40.348 39.000 0.056 0.000 1.335 60 F HN 0.414 nan 8.300 nan 0.000 0.457 61 A N 2.263 125.196 122.820 0.188 0.000 2.288 61 A HA 0.899 5.219 4.320 -0.000 0.000 0.320 61 A C -0.250 177.465 177.584 0.217 0.000 1.217 61 A CA -0.202 51.950 52.037 0.192 0.000 0.840 61 A CB 0.588 19.674 19.000 0.145 0.000 1.179 61 A HN 0.758 nan 8.150 nan 0.000 0.504 62 A N 1.943 124.914 122.820 0.252 0.000 2.624 62 A HA 1.010 5.329 4.320 -0.000 0.000 0.267 62 A C 0.465 178.213 177.584 0.273 0.000 1.282 62 A CA -0.199 51.994 52.037 0.259 0.000 0.934 62 A CB 0.874 20.045 19.000 0.284 0.000 1.510 62 A HN 2.032 nan 8.150 nan 0.000 0.477 63 G N -2.922 106.041 108.800 0.272 0.000 2.645 63 G HA2 0.539 4.498 3.960 -0.000 0.000 0.292 63 G HA3 0.539 4.498 3.960 -0.000 0.000 0.292 63 G C -2.573 172.462 174.900 0.225 0.000 1.415 63 G CA -0.378 44.887 45.100 0.275 0.000 0.785 63 G HN 0.308 nan 8.290 nan 0.000 0.483 64 P HA -0.127 nan 4.420 nan 0.000 0.218 64 P C 1.152 178.486 177.300 0.056 0.000 1.146 64 P CA 1.080 64.129 63.100 -0.085 0.000 0.820 64 P CB 0.122 31.593 31.700 -0.381 0.000 0.778 65 F N -0.044 119.872 119.950 -0.056 0.000 2.512 65 F HA 0.043 4.570 4.527 -0.000 0.000 0.296 65 F C 1.093 176.911 175.800 0.030 0.000 1.110 65 F CA 0.105 58.091 58.000 -0.025 0.000 1.446 65 F CB -1.011 38.008 39.000 0.031 0.000 1.092 65 F HN -0.107 nan 8.300 nan 0.000 0.554 66 N N -0.550 118.303 118.700 0.255 0.000 2.514 66 N HA 0.405 5.145 4.740 -0.000 0.000 0.277 66 N C 1.033 176.664 175.510 0.202 0.000 1.126 66 N CA 0.653 53.846 53.050 0.238 0.000 0.978 66 N CB 0.845 39.484 38.487 0.253 0.000 1.106 66 N HN 0.203 nan 8.380 nan 0.000 0.461 67 G N 0.602 109.540 108.800 0.231 0.000 2.213 67 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.236 67 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.236 67 G C -0.182 174.817 174.900 0.165 0.000 0.991 67 G CA -0.265 44.970 45.100 0.224 0.000 0.629 67 G HN 0.389 nan 8.290 nan 0.000 0.517 68 L N 0.783 122.032 121.223 0.043 0.000 2.319 68 L HA 0.600 4.939 4.340 -0.000 0.000 0.267 68 L C -2.369 174.198 176.870 -0.504 0.000 1.011 68 L CA -2.649 52.098 54.840 -0.154 0.000 0.818 68 L CB 2.092 44.026 42.059 -0.209 0.000 1.316 68 L HN -0.187 nan 8.230 nan 0.000 0.432 69 P HA 0.136 nan 4.420 nan 0.000 0.268 69 P C -0.975 175.992 177.300 -0.555 0.000 1.541 69 P CA -0.224 62.237 63.100 -1.066 0.000 1.093 69 P CB 0.048 31.420 31.700 -0.547 0.000 1.551 70 T N 0.838 115.118 114.554 -0.457 0.000 2.876 70 T HA 0.539 4.889 4.350 -0.000 0.000 0.289 70 T C -3.016 171.622 174.700 -0.103 0.000 1.014 70 T CA -3.295 58.637 62.100 -0.281 0.000 0.986 70 T CB 1.206 69.939 68.868 -0.225 0.000 1.021 70 T HN -0.118 nan 8.240 nan 0.000 0.458 71 P HA 0.104 nan 4.420 nan 0.000 0.255 71 P C 0.255 177.660 177.300 0.174 0.000 1.173 71 P CA 0.594 63.541 63.100 -0.255 0.000 0.780 71 P CB -0.242 31.175 31.700 -0.471 0.000 0.758 72 S N 1.873 117.771 115.700 0.331 0.000 3.559 72 S HA -0.176 4.294 4.470 -0.000 0.000 0.369 72 S C 1.064 175.848 174.600 0.306 0.000 0.987 72 S CA 0.865 59.251 58.200 0.309 0.000 1.187 72 S CB -1.956 61.390 63.200 0.243 0.000 0.914 72 S HN 0.826 nan 8.310 nan 0.000 0.480 73 G N 0.161 109.170 108.800 0.349 0.000 4.125 73 G HA2 0.494 4.454 3.960 -0.000 0.000 0.301 73 G HA3 0.494 4.454 3.960 -0.000 0.000 0.301 73 G C 0.411 175.525 174.900 0.357 0.000 1.273 73 G CA 0.097 45.414 45.100 0.362 0.000 1.095 73 G HN 0.736 nan 8.290 nan 0.000 0.582 74 G N 0.617 109.601 108.800 0.308 0.000 4.486 74 G HA2 0.356 4.315 3.960 -0.000 0.000 0.306 74 G HA3 0.356 4.315 3.960 -0.000 0.000 0.306 74 G C 0.409 175.421 174.900 0.186 0.000 1.331 74 G CA -0.392 44.853 45.100 0.242 0.000 1.113 74 G HN 0.146 nan 8.290 nan 0.000 0.594 75 K N -0.154 120.367 120.400 0.201 0.000 2.210 75 K HA 0.777 5.096 4.320 -0.000 0.000 0.236 75 K C -1.228 175.480 176.600 0.180 0.000 1.016 75 K CA -0.903 55.488 56.287 0.174 0.000 0.913 75 K CB 2.502 35.102 32.500 0.167 0.000 1.141 75 K HN 0.185 nan 8.250 nan 0.000 0.462 76 L N -0.353 120.971 121.223 0.170 0.000 2.591 76 L HA 0.315 4.655 4.340 -0.000 0.000 0.257 76 L C -1.661 175.306 176.870 0.161 0.000 0.935 76 L CA -0.658 54.292 54.840 0.184 0.000 0.873 76 L CB 2.072 44.256 42.059 0.209 0.000 1.397 76 L HN 0.314 nan 8.230 nan 0.000 0.414 77 V N 3.844 123.848 119.914 0.150 0.000 2.630 77 V HA 0.748 4.867 4.120 -0.000 0.000 0.305 77 V C -0.700 175.412 176.094 0.030 0.000 1.046 77 V CA -0.628 61.733 62.300 0.101 0.000 0.934 77 V CB 1.980 33.871 31.823 0.113 0.000 1.003 77 V HN 0.526 nan 8.190 nan 0.000 0.451 78 V N 3.013 122.895 119.914 -0.052 0.000 2.531 78 V HA 0.902 5.021 4.120 -0.000 0.000 0.301 78 V C 0.030 175.996 176.094 -0.215 0.000 1.034 78 V CA -0.300 61.849 62.300 -0.251 0.000 0.865 78 V CB 1.422 33.096 31.823 -0.248 0.000 0.995 78 V HN 1.074 nan 8.190 nan 0.000 0.424 79 A N 3.576 126.231 122.820 -0.275 0.000 2.527 79 A HA 1.114 5.433 4.320 -0.000 0.000 0.293 79 A C -0.500 176.908 177.584 -0.294 0.000 1.117 79 A CA -0.171 51.697 52.037 -0.281 0.000 0.723 79 A CB 2.214 21.104 19.000 -0.184 0.000 1.313 79 A HN 2.233 nan 8.150 nan 0.000 0.411 80 A N 0.226 122.839 122.820 -0.344 0.000 2.549 80 A HA 0.540 4.860 4.320 -0.000 0.000 0.297 80 A C -0.754 176.662 177.584 -0.281 0.000 0.983 80 A CA -0.243 51.641 52.037 -0.255 0.000 0.654 80 A CB 0.170 19.060 19.000 -0.184 0.000 1.319 80 A HN 1.329 nan 8.150 nan 0.000 0.428 81 K N 1.033 121.330 120.400 -0.172 0.000 2.447 81 K HA 0.342 4.662 4.320 -0.000 0.000 0.281 81 K C 0.388 176.927 176.600 -0.103 0.000 1.031 81 K CA 0.637 56.870 56.287 -0.089 0.000 1.019 81 K CB 0.416 32.951 32.500 0.058 0.000 0.918 81 K HN 0.894 nan 8.250 nan 0.000 0.476 82 S N 5.021 120.649 115.700 -0.121 0.000 2.531 82 S HA 0.180 4.650 4.470 -0.000 0.000 0.279 82 S C -1.744 172.841 174.600 -0.024 0.000 1.305 82 S CA -1.549 56.609 58.200 -0.071 0.000 1.058 82 S CB 0.805 63.981 63.200 -0.039 0.000 0.899 82 S HN 0.573 nan 8.310 nan 0.000 0.493 83 P HA 0.032 nan 4.420 nan 0.000 0.225 83 P C 1.181 178.490 177.300 0.017 0.000 1.156 83 P CA 0.247 63.343 63.100 -0.007 0.000 0.787 83 P CB 0.142 31.833 31.700 -0.015 0.000 0.802 84 L N -0.377 120.876 121.223 0.048 0.000 2.221 84 L HA 0.067 4.407 4.340 -0.000 0.000 0.202 84 L C 2.025 178.966 176.870 0.118 0.000 1.074 84 L CA 2.145 57.033 54.840 0.081 0.000 0.795 84 L CB -1.266 40.865 42.059 0.120 0.000 0.960 84 L HN -0.010 nan 8.230 nan 0.000 0.458 85 T N -4.748 109.907 114.554 0.167 0.000 3.034 85 T HA 0.304 4.654 4.350 -0.000 0.000 0.248 85 T C 1.542 176.417 174.700 0.292 0.000 1.040 85 T CA 0.450 62.740 62.100 0.317 0.000 1.107 85 T CB 0.035 69.212 68.868 0.514 0.000 0.932 85 T HN 0.549 nan 8.240 nan 0.000 0.474 86 G N 0.664 109.519 108.800 0.092 0.000 2.159 86 G HA2 0.034 3.994 3.960 -0.000 0.000 0.256 86 G HA3 0.034 3.994 3.960 -0.000 0.000 0.256 86 G C 0.424 175.317 174.900 -0.010 0.000 0.977 86 G CA 0.075 45.194 45.100 0.031 0.000 0.652 86 G HN 1.097 nan 8.290 nan 0.000 0.531 87 G N -1.392 107.177 108.800 -0.384 0.000 3.217 87 G HA2 0.611 4.570 3.960 -0.000 0.000 0.213 87 G HA3 0.611 4.570 3.960 -0.000 0.000 0.213 87 G C -0.502 174.024 174.900 -0.624 0.000 1.294 87 G CA -0.512 43.944 45.100 -1.073 0.000 0.987 87 G HN 0.850 nan 8.290 nan 0.000 0.584 88 Y N 0.729 120.526 120.300 -0.838 0.000 2.465 88 Y HA 0.490 5.040 4.550 -0.000 0.000 0.331 88 Y C 0.424 176.269 175.900 -0.091 0.000 1.102 88 Y CA 0.225 58.106 58.100 -0.365 0.000 1.358 88 Y CB 0.639 38.965 38.460 -0.225 0.000 1.213 88 Y HN 0.539 nan 8.280 nan 0.000 0.525 89 G N 4.786 113.093 108.800 -0.822 0.000 2.563 89 G HA2 0.549 4.509 3.960 -0.000 0.000 0.302 89 G HA3 0.549 4.509 3.960 -0.000 0.000 0.302 89 G C -2.000 172.512 174.900 -0.647 0.000 1.301 89 G CA -0.624 44.212 45.100 -0.441 0.000 0.965 89 G HN 0.785 nan 8.290 nan 0.000 0.480 90 D N -0.897 119.353 120.400 -0.249 0.000 2.671 90 D HA 0.681 5.321 4.640 -0.000 0.000 0.273 90 D C -0.141 176.166 176.300 0.012 0.000 1.264 90 D CA -0.117 53.793 54.000 -0.150 0.000 0.788 90 D CB 1.130 41.880 40.800 -0.084 0.000 1.324 90 D HN 1.055 nan 8.370 nan 0.000 0.424 91 G N -0.514 108.299 108.800 0.021 0.000 2.687 91 G HA2 0.545 4.505 3.960 -0.000 0.000 0.291 91 G HA3 0.545 4.505 3.960 -0.000 0.000 0.291 91 G C -1.652 173.290 174.900 0.071 0.000 1.420 91 G CA -0.770 44.371 45.100 0.069 0.000 0.796 91 G HN 0.607 nan 8.290 nan 0.000 0.485 92 N N -0.949 117.806 118.700 0.091 0.000 2.308 92 N HA 0.651 5.390 4.740 -0.000 0.000 0.283 92 N C -1.301 174.276 175.510 0.111 0.000 1.105 92 N CA -0.472 52.638 53.050 0.100 0.000 0.840 92 N CB 2.355 40.897 38.487 0.091 0.000 1.633 92 N HN 0.968 nan 8.380 nan 0.000 0.476 93 L N -0.603 120.693 121.223 0.120 0.000 2.518 93 L HA 0.858 5.198 4.340 -0.000 0.000 0.257 93 L C -0.445 176.498 176.870 0.121 0.000 0.980 93 L CA -0.865 54.047 54.840 0.119 0.000 0.837 93 L CB 1.867 44.000 42.059 0.122 0.000 1.410 93 L HN 0.473 nan 8.230 nan 0.000 0.410 94 G N 0.148 109.013 108.800 0.108 0.000 2.338 94 G HA2 0.565 4.525 3.960 -0.000 0.000 0.298 94 G HA3 0.565 4.525 3.960 -0.000 0.000 0.298 94 G C -0.690 174.262 174.900 0.087 0.000 1.140 94 G CA -0.017 45.146 45.100 0.105 0.000 0.860 94 G HN 0.904 nan 8.290 nan 0.000 0.470 95 T N 1.821 116.425 114.554 0.084 0.000 3.087 95 T HA 0.209 4.559 4.350 -0.000 0.000 0.351 95 T C 1.070 175.795 174.700 0.041 0.000 1.520 95 T CA -0.678 61.459 62.100 0.062 0.000 1.111 95 T CB 1.216 70.134 68.868 0.084 0.000 1.353 95 T HN 0.193 nan 8.240 nan 0.000 0.481 96 M N 2.588 122.192 119.600 0.006 0.000 2.435 96 M HA 0.039 4.519 4.480 -0.000 0.000 0.262 96 M C 2.340 178.644 176.300 0.007 0.000 1.065 96 M CA 1.595 56.864 55.300 -0.051 0.000 1.076 96 M CB -1.529 31.042 32.600 -0.047 0.000 1.403 96 M HN 0.841 nan 8.290 nan 0.000 0.454 97 A N -0.936 121.929 122.820 0.074 0.000 2.125 97 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 97 A C 2.420 180.076 177.584 0.120 0.000 1.156 97 A CA 1.856 53.955 52.037 0.104 0.000 0.671 97 A CB -0.579 18.464 19.000 0.071 0.000 0.794 97 A HN 0.519 nan 8.150 nan 0.000 0.459 98 S N -0.927 114.841 115.700 0.115 0.000 2.388 98 S HA -0.064 4.406 4.470 -0.000 0.000 0.223 98 S C 1.851 176.545 174.600 0.157 0.000 1.034 98 S CA 1.328 59.621 58.200 0.156 0.000 0.963 98 S CB -0.393 62.905 63.200 0.163 0.000 0.827 98 S HN 0.238 nan 8.310 nan 0.000 0.481 99 V N 2.230 122.193 119.914 0.082 0.000 2.244 99 V HA -0.094 4.026 4.120 -0.000 0.000 0.244 99 V C 2.553 178.693 176.094 0.077 0.000 1.042 99 V CA 1.990 64.327 62.300 0.061 0.000 1.006 99 V CB -0.934 30.820 31.823 -0.116 0.000 0.641 99 V HN 0.581 nan 8.190 nan 0.000 0.446 100 H N -0.593 118.538 119.070 0.101 0.000 2.422 100 H HA -0.135 4.420 4.556 -0.000 0.000 0.298 100 H C 2.098 177.490 175.328 0.107 0.000 1.098 100 H CA 1.855 57.950 56.048 0.080 0.000 1.315 100 H CB -0.328 29.448 29.762 0.024 0.000 1.382 100 H HN 0.323 nan 8.280 nan 0.000 0.523 101 L N 0.981 122.348 121.223 0.239 0.000 2.046 101 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 101 L C 2.339 179.387 176.870 0.295 0.000 1.077 101 L CA 1.612 56.594 54.840 0.236 0.000 0.747 101 L CB -0.237 41.947 42.059 0.209 0.000 0.896 101 L HN -0.028 nan 8.230 nan 0.000 0.432 102 R N -0.372 120.311 120.500 0.306 0.000 2.093 102 R HA 0.041 4.381 4.340 -0.000 0.000 0.224 102 R C 2.074 178.619 176.300 0.409 0.000 1.101 102 R CA 0.718 57.062 56.100 0.408 0.000 0.979 102 R CB -0.356 30.182 30.300 0.397 0.000 0.877 102 R HN 0.427 nan 8.270 nan 0.000 0.441 103 R N 0.433 121.113 120.500 0.300 0.000 2.328 103 R HA 0.043 4.383 4.340 -0.000 0.000 0.207 103 R C 1.598 177.969 176.300 0.118 0.000 1.056 103 R CA 0.826 57.083 56.100 0.261 0.000 1.016 103 R CB -0.194 30.250 30.300 0.240 0.000 0.872 103 R HN 0.116 nan 8.270 nan 0.000 0.471 104 A N 0.291 123.143 122.820 0.053 0.000 2.238 104 A HA 0.322 4.641 4.320 -0.000 0.000 0.210 104 A C 1.316 178.539 177.584 -0.602 0.000 1.179 104 A CA 0.691 52.684 52.037 -0.074 0.000 0.827 104 A CB 0.198 19.308 19.000 0.184 0.000 0.856 104 A HN 0.378 nan 8.150 nan 0.000 0.488 105 G N -2.139 106.119 108.800 -0.903 0.000 2.131 105 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.201 105 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.201 105 G C -0.321 173.467 174.900 -1.853 0.000 1.000 105 G CA 0.127 44.029 45.100 -1.996 0.000 0.680 105 G HN 0.468 nan 8.290 nan 0.000 0.514 106 Y N -0.410 119.608 120.300 -0.469 0.000 2.499 106 Y HA 0.630 5.180 4.550 -0.000 0.000 0.347 106 Y C 0.687 176.769 175.900 0.302 0.000 0.987 106 Y CA -1.196 56.883 58.100 -0.036 0.000 1.044 106 Y CB 1.552 40.018 38.460 0.010 0.000 1.245 106 Y HN -0.047 nan 8.280 nan 0.000 0.461 107 D N 0.909 121.647 120.400 0.563 0.000 2.262 107 D HA 0.316 4.956 4.640 -0.000 0.000 0.212 107 D C 0.278 176.815 176.300 0.394 0.000 0.964 107 D CA 0.950 55.277 54.000 0.545 0.000 0.875 107 D CB 0.530 41.708 40.800 0.631 0.000 0.996 107 D HN 0.560 nan 8.370 nan 0.000 0.497 108 A N -0.225 122.798 122.820 0.338 0.000 2.593 108 A HA 0.643 4.963 4.320 -0.000 0.000 0.290 108 A C -2.009 175.688 177.584 0.188 0.000 1.126 108 A CA -0.597 51.588 52.037 0.247 0.000 0.695 108 A CB 1.416 20.523 19.000 0.179 0.000 1.290 108 A HN 0.049 nan 8.150 nan 0.000 0.414 109 L N 0.319 121.649 121.223 0.179 0.000 2.410 109 L HA 0.808 5.148 4.340 -0.000 0.000 0.270 109 L C -1.604 175.370 176.870 0.173 0.000 0.983 109 L CA -0.406 54.498 54.840 0.107 0.000 0.822 109 L CB 2.110 44.195 42.059 0.043 0.000 1.285 109 L HN 0.476 nan 8.230 nan 0.000 0.409 110 V N 5.723 125.691 119.914 0.090 0.000 2.380 110 V HA 0.468 4.588 4.120 -0.000 0.000 0.286 110 V C -0.325 175.806 176.094 0.060 0.000 1.015 110 V CA -0.655 61.690 62.300 0.075 0.000 0.834 110 V CB 1.583 33.413 31.823 0.013 0.000 1.009 110 V HN 0.578 nan 8.190 nan 0.000 0.428 111 V N 5.507 125.483 119.914 0.104 0.000 2.509 111 V HA 0.563 4.683 4.120 -0.000 0.000 0.284 111 V C 0.220 176.337 176.094 0.038 0.000 1.047 111 V CA -0.285 62.061 62.300 0.077 0.000 0.952 111 V CB 1.429 33.333 31.823 0.135 0.000 0.988 111 V HN 1.057 nan 8.190 nan 0.000 0.469 112 E N 3.107 123.316 120.200 0.015 0.000 2.445 112 E HA 0.767 5.117 4.350 -0.000 0.000 0.273 112 E C 0.212 176.810 176.600 -0.003 0.000 0.961 112 E CA -0.317 56.081 56.400 -0.003 0.000 0.807 112 E CB 2.130 31.818 29.700 -0.019 0.000 1.362 112 E HN 1.082 nan 8.360 nan 0.000 0.453 113 G N 0.888 109.682 108.800 -0.011 0.000 2.562 113 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.250 113 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.250 113 G C -0.750 174.146 174.900 -0.006 0.000 1.269 113 G CA 0.275 45.367 45.100 -0.013 0.000 0.919 113 G HN 0.760 nan 8.290 nan 0.000 0.574 114 K N -0.601 119.793 120.400 -0.011 0.000 2.589 114 K HA 0.626 4.946 4.320 -0.000 0.000 0.253 114 K C 0.191 176.776 176.600 -0.025 0.000 0.974 114 K CA -0.035 56.246 56.287 -0.011 0.000 0.835 114 K CB 1.206 33.698 32.500 -0.014 0.000 1.272 114 K HN 1.778 nan 8.250 nan 0.000 0.444 115 A N 3.158 125.961 122.820 -0.027 0.000 2.448 115 A HA 0.152 4.472 4.320 -0.000 0.000 0.239 115 A C 0.546 178.089 177.584 -0.068 0.000 1.080 115 A CA -0.011 51.998 52.037 -0.045 0.000 0.779 115 A CB 0.309 19.282 19.000 -0.045 0.000 1.026 115 A HN 0.827 nan 8.150 nan 0.000 0.499 116 K N 0.166 120.524 120.400 -0.071 0.000 2.459 116 K HA 0.036 4.356 4.320 -0.000 0.000 0.193 116 K C -0.086 176.446 176.600 -0.113 0.000 1.030 116 K CA 0.913 57.152 56.287 -0.079 0.000 1.026 116 K CB -0.277 32.186 32.500 -0.062 0.000 0.809 116 K HN 0.773 nan 8.250 nan 0.000 0.504 117 K N -0.815 119.503 120.400 -0.137 0.000 2.607 117 K HA 0.338 4.658 4.320 -0.000 0.000 0.287 117 K C -3.305 173.156 176.600 -0.232 0.000 0.996 117 K CA -1.878 54.292 56.287 -0.195 0.000 0.876 117 K CB 0.755 33.174 32.500 -0.134 0.000 1.496 117 K HN -0.362 nan 8.250 nan 0.000 0.415 118 P HA -0.035 nan 4.420 nan 0.000 0.258 118 P C -0.761 176.527 177.300 -0.019 0.000 1.172 118 P CA -0.188 62.736 63.100 -0.293 0.000 0.762 118 P CB 0.377 31.899 31.700 -0.296 0.000 0.764 119 V N 2.016 121.973 119.914 0.072 0.000 3.159 119 V HA 0.813 4.932 4.120 -0.000 0.000 0.308 119 V C -1.245 175.000 176.094 0.252 0.000 1.190 119 V CA -1.270 61.104 62.300 0.124 0.000 1.037 119 V CB 2.054 33.891 31.823 0.022 0.000 1.060 119 V HN 0.493 nan 8.190 nan 0.000 0.437 120 Y N 0.028 120.375 120.300 0.078 0.000 2.512 120 Y HA 0.867 5.417 4.550 -0.000 0.000 0.348 120 Y C -0.951 174.985 175.900 0.060 0.000 0.990 120 Y CA -1.622 56.527 58.100 0.082 0.000 1.033 120 Y CB 1.700 40.225 38.460 0.108 0.000 1.259 120 Y HN 0.661 nan 8.280 nan 0.000 0.461 121 I N 4.114 124.759 120.570 0.126 0.000 2.342 121 I HA 0.198 4.368 4.170 -0.000 0.000 0.291 121 I C -1.088 175.066 176.117 0.061 0.000 1.010 121 I CA -0.665 60.635 61.300 0.000 0.000 1.308 121 I CB 0.828 38.803 38.000 -0.041 0.000 1.400 121 I HN 0.710 nan 8.210 nan 0.000 0.488 122 Y N 7.710 127.914 120.300 -0.160 0.000 2.352 122 Y HA 0.690 5.240 4.550 -0.000 0.000 0.339 122 Y C -0.819 175.003 175.900 -0.131 0.000 0.992 122 Y CA -0.703 57.316 58.100 -0.135 0.000 1.100 122 Y CB 1.048 39.369 38.460 -0.230 0.000 1.192 122 Y HN 0.348 nan 8.280 nan 0.000 0.458 123 I N 5.794 126.107 120.570 -0.428 0.000 2.534 123 I HA 0.320 4.489 4.170 -0.000 0.000 0.288 123 I C -1.176 174.719 176.117 -0.371 0.000 1.077 123 I CA -0.635 60.507 61.300 -0.263 0.000 1.051 123 I CB 2.195 40.081 38.000 -0.190 0.000 1.234 123 I HN 0.615 nan 8.210 nan 0.000 0.425 124 E N 6.300 126.412 120.200 -0.146 0.000 2.621 124 E HA 0.238 4.588 4.350 -0.000 0.000 0.263 124 E C -0.864 175.743 176.600 0.012 0.000 1.033 124 E CA -0.268 56.071 56.400 -0.102 0.000 0.778 124 E CB 0.613 30.296 29.700 -0.028 0.000 1.426 124 E HN 0.672 nan 8.360 nan 0.000 0.394 125 D N 1.971 122.388 120.400 0.028 0.000 3.996 125 D HA -0.263 4.377 4.640 -0.000 0.000 0.140 125 D C 0.271 176.625 176.300 0.090 0.000 0.829 125 D CA 1.707 55.719 54.000 0.019 0.000 1.111 125 D CB -0.505 40.285 40.800 -0.017 0.000 0.516 125 D HN 0.613 nan 8.370 nan 0.000 0.517 126 D N 0.737 121.162 120.400 0.041 0.000 2.349 126 D HA -0.010 4.630 4.640 -0.000 0.000 0.215 126 D C 0.515 176.867 176.300 0.087 0.000 1.016 126 D CA 0.141 54.188 54.000 0.078 0.000 0.870 126 D CB -0.292 40.516 40.800 0.014 0.000 0.917 126 D HN 0.118 nan 8.370 nan 0.000 0.524 127 N N 0.998 119.746 118.700 0.079 0.000 2.406 127 N HA 0.099 4.838 4.740 -0.000 0.000 0.251 127 N C -1.307 174.265 175.510 0.102 0.000 1.069 127 N CA -0.045 53.054 53.050 0.081 0.000 0.947 127 N CB 0.756 39.301 38.487 0.098 0.000 1.111 127 N HN -0.325 nan 8.380 nan 0.000 0.497 128 V N 2.401 122.351 119.914 0.061 0.000 2.483 128 V HA 0.516 4.636 4.120 -0.000 0.000 0.297 128 V C -0.435 175.665 176.094 0.009 0.000 1.027 128 V CA -0.678 61.641 62.300 0.031 0.000 0.855 128 V CB 1.425 33.221 31.823 -0.044 0.000 0.995 128 V HN 0.667 nan 8.190 nan 0.000 0.424 129 S N 4.658 120.367 115.700 0.015 0.000 2.570 129 S HA 0.688 5.158 4.470 -0.000 0.000 0.286 129 S C -0.574 173.960 174.600 -0.110 0.000 1.099 129 S CA -0.592 57.569 58.200 -0.065 0.000 0.913 129 S CB 2.088 65.212 63.200 -0.127 0.000 1.085 129 S HN 0.556 nan 8.310 nan 0.000 0.480 130 I N 3.086 123.583 120.570 -0.122 0.000 2.307 130 I HA 0.290 4.460 4.170 -0.000 0.000 0.287 130 I C -0.763 175.238 176.117 -0.193 0.000 1.054 130 I CA -0.234 60.983 61.300 -0.138 0.000 1.218 130 I CB 0.177 38.126 38.000 -0.085 0.000 1.398 130 I HN 0.303 nan 8.210 nan 0.000 0.475 131 L N 4.234 125.249 121.223 -0.347 0.000 2.352 131 L HA 0.443 4.783 4.340 -0.000 0.000 0.269 131 L C 0.659 177.410 176.870 -0.197 0.000 1.034 131 L CA -0.648 53.968 54.840 -0.372 0.000 0.806 131 L CB 1.443 43.079 42.059 -0.705 0.000 1.244 131 L HN 0.451 nan 8.230 nan 0.000 0.447 132 S N 0.366 116.034 115.700 -0.053 0.000 2.548 132 S HA 0.458 4.928 4.470 -0.000 0.000 0.277 132 S C 0.426 175.160 174.600 0.224 0.000 1.315 132 S CA -0.005 58.229 58.200 0.057 0.000 1.050 132 S CB 1.028 64.249 63.200 0.036 0.000 0.918 132 S HN 0.715 nan 8.310 nan 0.000 0.497 133 A N 3.910 126.870 122.820 0.234 0.000 2.589 133 A HA 0.369 4.689 4.320 -0.000 0.000 0.283 133 A C 1.213 178.918 177.584 0.202 0.000 1.187 133 A CA -0.285 51.932 52.037 0.300 0.000 0.957 133 A CB -0.186 19.041 19.000 0.378 0.000 1.175 133 A HN 0.912 nan 8.150 nan 0.000 0.532 134 E N 0.036 120.309 120.200 0.122 0.000 2.219 134 E HA -0.182 4.167 4.350 -0.000 0.000 0.198 134 E C 1.825 178.498 176.600 0.121 0.000 0.998 134 E CA 1.205 57.655 56.400 0.084 0.000 0.818 134 E CB -0.015 29.703 29.700 0.029 0.000 0.741 134 E HN 0.634 nan 8.360 nan 0.000 0.477 135 G N -0.330 108.539 108.800 0.115 0.000 2.777 135 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.211 135 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.211 135 G C 1.334 176.299 174.900 0.109 0.000 1.149 135 G CA -0.104 45.054 45.100 0.097 0.000 0.785 135 G HN 0.089 nan 8.290 nan 0.000 0.536 136 L N -1.140 120.169 121.223 0.144 0.000 2.253 136 L HA 0.264 4.604 4.340 -0.000 0.000 0.205 136 L C 1.335 178.314 176.870 0.182 0.000 1.078 136 L CA -0.481 54.434 54.840 0.125 0.000 0.805 136 L CB -0.018 42.096 42.059 0.092 0.000 0.963 136 L HN 0.240 nan 8.230 nan 0.000 0.459 137 W N 1.878 123.197 121.300 0.032 0.000 2.476 137 W HA 0.028 4.688 4.660 -0.000 0.000 0.338 137 W C 1.012 177.552 176.519 0.036 0.000 1.328 137 W CA 1.720 59.086 57.345 0.034 0.000 1.300 137 W CB 0.368 29.850 29.460 0.037 0.000 1.252 137 W HN 0.402 nan 8.180 nan 0.000 0.568 138 G N 3.629 112.283 108.800 -0.243 0.000 2.284 138 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 138 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 138 G C 0.257 175.121 174.900 -0.059 0.000 1.009 138 G CA -0.153 44.880 45.100 -0.112 0.000 0.625 138 G HN 0.447 nan 8.290 nan 0.000 0.501 139 K N 1.928 122.300 120.400 -0.047 0.000 2.202 139 K HA 0.501 4.821 4.320 -0.000 0.000 0.264 139 K C 1.074 177.639 176.600 -0.058 0.000 1.010 139 K CA 0.273 56.546 56.287 -0.024 0.000 0.940 139 K CB 0.769 33.271 32.500 0.003 0.000 0.983 139 K HN 0.399 nan 8.250 nan 0.000 0.475 140 T N -1.716 112.814 114.554 -0.040 0.000 2.856 140 T HA -0.059 4.291 4.350 -0.000 0.000 0.306 140 T C 1.663 176.361 174.700 -0.002 0.000 1.062 140 T CA -0.032 62.027 62.100 -0.070 0.000 1.083 140 T CB 0.861 69.659 68.868 -0.117 0.000 0.984 140 T HN 0.766 nan 8.240 nan 0.000 0.542 141 T N 0.137 114.701 114.554 0.018 0.000 2.699 141 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 141 T C 1.574 176.435 174.700 0.269 0.000 1.036 141 T CA 1.133 63.309 62.100 0.127 0.000 1.147 141 T CB -0.797 68.176 68.868 0.174 0.000 0.862 141 T HN 0.504 nan 8.240 nan 0.000 0.446 142 F N 2.344 122.282 119.950 -0.021 0.000 2.065 142 F HA 0.057 4.584 4.527 -0.000 0.000 0.298 142 F C 2.723 178.514 175.800 -0.016 0.000 1.112 142 F CA 1.251 59.243 58.000 -0.013 0.000 1.212 142 F CB -1.432 37.564 39.000 -0.008 0.000 0.975 142 F HN 0.240 nan 8.300 nan 0.000 0.476 143 E N 0.054 120.372 120.200 0.197 0.000 2.110 143 E HA -0.137 4.212 4.350 -0.000 0.000 0.193 143 E C 2.086 178.714 176.600 0.047 0.000 0.988 143 E CA 1.935 58.391 56.400 0.092 0.000 0.804 143 E CB -0.556 29.179 29.700 0.059 0.000 0.745 143 E HN 0.291 nan 8.360 nan 0.000 0.458 144 T N 0.289 114.867 114.554 0.040 0.000 2.684 144 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 144 T C 1.756 176.447 174.700 -0.015 0.000 1.036 144 T CA 1.612 63.712 62.100 0.000 0.000 1.148 144 T CB -0.318 68.547 68.868 -0.004 0.000 0.863 144 T HN 0.363 nan 8.240 nan 0.000 0.436 145 E N 0.790 120.996 120.200 0.009 0.000 2.106 145 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 145 E C 2.446 179.039 176.600 -0.011 0.000 0.984 145 E CA 0.669 57.065 56.400 -0.006 0.000 0.806 145 E CB -0.024 29.674 29.700 -0.002 0.000 0.750 145 E HN 0.282 nan 8.360 nan 0.000 0.458 146 R N 0.506 121.005 120.500 -0.002 0.000 2.081 146 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 146 R C 2.072 178.363 176.300 -0.016 0.000 1.131 146 R CA 1.816 57.913 56.100 -0.006 0.000 0.960 146 R CB -0.070 30.235 30.300 0.009 0.000 0.856 146 R HN 0.266 nan 8.270 nan 0.000 0.436 147 E N 0.184 120.371 120.200 -0.021 0.000 2.072 147 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 147 E C 2.087 178.643 176.600 -0.074 0.000 0.985 147 E CA 1.109 57.486 56.400 -0.040 0.000 0.801 147 E CB -0.013 29.667 29.700 -0.035 0.000 0.750 147 E HN 0.333 nan 8.360 nan 0.000 0.452 148 L N 0.801 121.976 121.223 -0.081 0.000 2.141 148 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 148 L C 2.339 179.183 176.870 -0.043 0.000 1.094 148 L CA 1.003 55.787 54.840 -0.094 0.000 0.763 148 L CB -0.188 41.825 42.059 -0.077 0.000 0.908 148 L HN 0.004 nan 8.230 nan 0.000 0.437 149 K N -0.398 119.994 120.400 -0.013 0.000 2.217 149 K HA -0.108 4.212 4.320 -0.000 0.000 0.202 149 K C 1.830 178.423 176.600 -0.012 0.000 1.051 149 K CA 0.643 56.937 56.287 0.011 0.000 0.952 149 K CB 0.066 32.571 32.500 0.009 0.000 0.736 149 K HN 0.219 nan 8.250 nan 0.000 0.453 150 E N 0.649 120.826 120.200 -0.038 0.000 2.274 150 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 150 E C 1.859 178.419 176.600 -0.068 0.000 0.996 150 E CA 0.624 57.000 56.400 -0.039 0.000 0.840 150 E CB 0.168 29.846 29.700 -0.036 0.000 0.772 150 E HN 0.222 nan 8.360 nan 0.000 0.491 151 I N 0.175 120.659 120.570 -0.143 0.000 2.522 151 I HA -0.120 4.050 4.170 -0.000 0.000 0.240 151 I C 1.835 177.830 176.117 -0.204 0.000 1.078 151 I CA 1.002 62.153 61.300 -0.248 0.000 1.422 151 I CB -1.153 36.549 38.000 -0.497 0.000 1.188 151 I HN 0.125 nan 8.210 nan 0.000 0.442 152 H N 1.212 120.332 119.070 0.083 0.000 2.539 152 H HA 0.402 4.957 4.556 -0.000 0.000 0.267 152 H C 1.019 176.383 175.328 0.060 0.000 0.982 152 H CA 0.760 56.873 56.048 0.108 0.000 1.146 152 H CB -0.028 29.849 29.762 0.191 0.000 1.382 152 H HN 0.399 nan 8.280 nan 0.000 0.577 153 G N 1.439 110.304 108.800 0.108 0.000 2.663 153 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.686 153 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.686 153 G C 0.679 175.615 174.900 0.059 0.000 1.288 153 G CA -0.181 44.961 45.100 0.070 0.000 0.836 153 G HN 0.300 nan 8.290 nan 0.000 0.584 154 K N -0.276 120.149 120.400 0.041 0.000 2.167 154 K HA -0.006 4.314 4.320 -0.000 0.000 0.203 154 K C 0.849 177.480 176.600 0.052 0.000 1.052 154 K CA 0.946 57.255 56.287 0.037 0.000 0.956 154 K CB 0.000 32.516 32.500 0.026 0.000 0.735 154 K HN 0.274 nan 8.250 nan 0.000 0.451 155 N N 2.144 120.876 118.700 0.054 0.000 3.127 155 N HA 0.025 4.765 4.740 -0.000 0.000 0.317 155 N C -0.764 174.750 175.510 0.007 0.000 1.242 155 N CA 0.119 53.218 53.050 0.083 0.000 1.203 155 N CB 0.034 38.560 38.487 0.066 0.000 1.462 155 N HN 0.179 nan 8.380 nan 0.000 0.546 156 V N -3.597 116.348 119.914 0.051 0.000 3.216 156 V HA 0.873 4.993 4.120 -0.000 0.000 0.302 156 V C 0.166 176.349 176.094 0.148 0.000 1.286 156 V CA -1.329 60.932 62.300 -0.066 0.000 1.048 156 V CB 1.571 33.336 31.823 -0.096 0.000 1.081 156 V HN 0.106 nan 8.190 nan 0.000 0.442 157 G N 0.542 109.448 108.800 0.177 0.000 2.417 157 G HA2 0.659 4.619 3.960 -0.000 0.000 0.320 157 G HA3 0.659 4.619 3.960 -0.000 0.000 0.320 157 G C -1.044 173.882 174.900 0.043 0.000 1.204 157 G CA -0.702 44.483 45.100 0.143 0.000 0.923 157 G HN 1.109 nan 8.290 nan 0.000 0.466 158 V N 3.092 123.025 119.914 0.032 0.000 2.555 158 V HA 0.574 4.694 4.120 -0.000 0.000 0.302 158 V C -0.123 175.983 176.094 0.020 0.000 1.038 158 V CA -0.752 61.555 62.300 0.012 0.000 0.887 158 V CB 1.692 33.521 31.823 0.010 0.000 0.991 158 V HN 0.609 nan 8.190 nan 0.000 0.434 159 L N 4.282 125.511 121.223 0.009 0.000 2.385 159 L HA 0.872 5.212 4.340 -0.000 0.000 0.273 159 L C -0.011 176.891 176.870 0.054 0.000 0.990 159 L CA -0.239 54.629 54.840 0.047 0.000 0.821 159 L CB 2.361 44.439 42.059 0.032 0.000 1.279 159 L HN 0.917 nan 8.230 nan 0.000 0.412 160 T N 0.163 114.764 114.554 0.078 0.000 2.787 160 T HA 0.762 5.112 4.350 -0.000 0.000 0.297 160 T C -0.673 174.063 174.700 0.061 0.000 1.221 160 T CA -0.749 61.390 62.100 0.064 0.000 1.006 160 T CB 2.030 70.922 68.868 0.039 0.000 1.328 160 T HN 0.513 nan 8.240 nan 0.000 0.509 161 I N -1.400 119.180 120.570 0.015 0.000 2.846 161 I HA 0.930 5.100 4.170 -0.000 0.000 0.307 161 I C 0.282 176.332 176.117 -0.111 0.000 1.053 161 I CA -1.334 59.945 61.300 -0.035 0.000 1.050 161 I CB 1.834 39.801 38.000 -0.056 0.000 1.239 161 I HN 0.936 nan 8.210 nan 0.000 0.439 162 G N 1.818 110.530 108.800 -0.147 0.000 2.820 162 G HA2 0.570 4.530 3.960 -0.000 0.000 0.291 162 G HA3 0.570 4.530 3.960 -0.000 0.000 0.291 162 G C -2.352 172.366 174.900 -0.305 0.000 1.323 162 G CA -1.627 43.351 45.100 -0.203 0.000 1.055 162 G HN 0.460 nan 8.290 nan 0.000 0.520 163 P HA -0.072 nan 4.420 nan 0.000 0.221 163 P C 1.799 178.874 177.300 -0.374 0.000 1.145 163 P CA 1.750 64.607 63.100 -0.404 0.000 0.795 163 P CB 0.210 31.631 31.700 -0.464 0.000 0.775 164 A N -0.298 122.315 122.820 -0.345 0.000 1.930 164 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 164 A C 2.427 179.880 177.584 -0.218 0.000 1.175 164 A CA 1.892 53.758 52.037 -0.285 0.000 0.627 164 A CB -1.696 17.155 19.000 -0.250 0.000 0.815 164 A HN 0.285 nan 8.150 nan 0.000 0.443 165 G N -0.421 108.261 108.800 -0.196 0.000 2.404 165 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.214 165 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.214 165 G C 1.360 176.180 174.900 -0.133 0.000 1.189 165 G CA 0.829 45.847 45.100 -0.137 0.000 0.789 165 G HN 0.605 nan 8.290 nan 0.000 0.533 166 E N 0.706 120.751 120.200 -0.258 0.000 2.147 166 E HA -0.145 4.205 4.350 -0.000 0.000 0.199 166 E C 1.808 178.394 176.600 -0.024 0.000 1.005 166 E CA 1.026 57.264 56.400 -0.271 0.000 0.810 166 E CB -0.044 29.220 29.700 -0.727 0.000 0.736 166 E HN 0.307 nan 8.360 nan 0.000 0.460 167 N N 0.044 118.691 118.700 -0.089 0.000 2.398 167 N HA 0.058 4.798 4.740 -0.000 0.000 0.188 167 N C -0.029 175.454 175.510 -0.045 0.000 1.122 167 N CA 0.263 53.291 53.050 -0.036 0.000 0.866 167 N CB 0.475 38.921 38.487 -0.069 0.000 0.970 167 N HN 0.113 nan 8.380 nan 0.000 0.462 168 L N -0.275 120.913 121.223 -0.058 0.000 3.512 168 L HA -0.175 4.164 4.340 -0.000 0.000 0.446 168 L C -0.545 176.254 176.870 -0.118 0.000 1.290 168 L CA -0.188 54.615 54.840 -0.062 0.000 0.871 168 L CB -2.298 39.749 42.059 -0.020 0.000 1.767 168 L HN -0.182 nan 8.230 nan 0.000 0.855 169 V N 1.470 121.270 119.914 -0.190 0.000 2.529 169 V HA 0.022 4.142 4.120 -0.000 0.000 0.292 169 V C 1.853 177.752 176.094 -0.325 0.000 1.028 169 V CA -0.099 62.008 62.300 -0.322 0.000 1.074 169 V CB 1.333 32.897 31.823 -0.433 0.000 0.958 169 V HN 0.324 nan 8.190 nan 0.000 0.481 170 K N 4.544 124.765 120.400 -0.298 0.000 2.218 170 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 170 K C 0.995 177.562 176.600 -0.056 0.000 1.046 170 K CA 1.610 57.818 56.287 -0.132 0.000 0.933 170 K CB -0.372 32.116 32.500 -0.019 0.000 0.728 170 K HN 0.944 nan 8.250 nan 0.000 0.454 171 Y N -1.152 119.144 120.300 -0.007 0.000 2.756 171 Y HA 0.625 5.174 4.550 -0.000 0.000 0.300 171 Y C 0.255 176.154 175.900 -0.002 0.000 1.113 171 Y CA -1.304 56.799 58.100 0.005 0.000 1.291 171 Y CB -0.508 37.958 38.460 0.010 0.000 1.175 171 Y HN -0.151 nan 8.280 nan 0.000 0.534 172 A N 1.486 124.259 122.820 -0.078 0.000 2.440 172 A HA 0.582 4.902 4.320 -0.000 0.000 0.251 172 A C 0.393 177.983 177.584 0.010 0.000 1.089 172 A CA 0.037 52.035 52.037 -0.065 0.000 0.779 172 A CB 0.082 19.014 19.000 -0.114 0.000 1.022 172 A HN 0.631 nan 8.150 nan 0.000 0.492 173 V N 0.430 120.360 119.914 0.027 0.000 3.181 173 V HA 0.836 4.956 4.120 -0.000 0.000 0.314 173 V C -0.151 175.975 176.094 0.053 0.000 1.173 173 V CA -0.841 61.490 62.300 0.052 0.000 1.052 173 V CB 1.393 33.265 31.823 0.083 0.000 1.123 173 V HN 0.616 nan 8.190 nan 0.000 0.454 174 V N 2.347 122.310 119.914 0.081 0.000 2.435 174 V HA 0.530 4.650 4.120 -0.000 0.000 0.290 174 V C -0.203 175.959 176.094 0.114 0.000 1.030 174 V CA -0.365 62.002 62.300 0.111 0.000 0.881 174 V CB 1.256 33.184 31.823 0.173 0.000 0.983 174 V HN 0.647 nan 8.190 nan 0.000 0.445 175 I N 3.016 123.651 120.570 0.109 0.000 2.750 175 I HA 0.652 4.822 4.170 -0.000 0.000 0.308 175 I C 0.067 176.244 176.117 0.101 0.000 1.016 175 I CA -0.183 61.186 61.300 0.116 0.000 1.098 175 I CB 1.992 40.081 38.000 0.148 0.000 1.279 175 I HN 0.665 nan 8.210 nan 0.000 0.454 176 S N 2.262 118.010 115.700 0.079 0.000 2.533 176 S HA 0.331 4.801 4.470 -0.000 0.000 0.271 176 S C -1.077 173.518 174.600 -0.008 0.000 1.143 176 S CA -0.378 57.849 58.200 0.044 0.000 0.891 176 S CB 1.111 64.347 63.200 0.060 0.000 1.105 176 S HN 0.629 nan 8.310 nan 0.000 0.468 177 Q N 2.204 121.976 119.800 -0.048 0.000 2.423 177 Q HA -0.182 4.158 4.340 -0.000 0.000 0.332 177 Q C -0.722 175.154 176.000 -0.207 0.000 1.355 177 Q CA 1.365 57.104 55.803 -0.107 0.000 0.947 177 Q CB -1.591 27.110 28.738 -0.061 0.000 1.189 177 Q HN 0.778 nan 8.270 nan 0.000 0.418 178 E N -2.105 117.872 120.200 -0.372 0.000 2.055 178 E HA -0.264 4.086 4.350 -0.000 0.000 0.251 178 E C 1.029 177.448 176.600 -0.302 0.000 1.718 178 E CA 0.583 56.514 56.400 -0.780 0.000 0.881 178 E CB -1.315 27.567 29.700 -1.364 0.000 0.890 178 E HN 0.839 nan 8.360 nan 0.000 0.319 179 G N 2.165 110.949 108.800 -0.027 0.000 3.180 179 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.197 179 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.197 179 G C -0.150 174.788 174.900 0.062 0.000 1.149 179 G CA -0.416 44.710 45.100 0.043 0.000 0.847 179 G HN 0.271 nan 8.290 nan 0.000 0.469 180 R N 1.684 122.209 120.500 0.043 0.000 2.442 180 R HA 0.785 5.125 4.340 -0.000 0.000 0.291 180 R C 0.272 176.627 176.300 0.091 0.000 1.069 180 R CA 0.469 56.609 56.100 0.067 0.000 1.022 180 R CB 0.540 30.875 30.300 0.058 0.000 0.976 180 R HN 1.117 nan 8.270 nan 0.000 0.443 181 A N 0.803 123.685 122.820 0.103 0.000 2.515 181 A HA 0.886 5.206 4.320 -0.000 0.000 0.296 181 A C -1.311 176.343 177.584 0.117 0.000 1.094 181 A CA -0.287 51.817 52.037 0.112 0.000 0.718 181 A CB 2.068 21.135 19.000 0.112 0.000 1.307 181 A HN 0.746 nan 8.150 nan 0.000 0.408 182 A N -0.545 122.343 122.820 0.114 0.000 2.574 182 A HA 0.791 5.111 4.320 -0.000 0.000 0.297 182 A C 0.286 177.922 177.584 0.087 0.000 1.062 182 A CA 0.127 52.229 52.037 0.108 0.000 0.686 182 A CB 0.899 19.962 19.000 0.104 0.000 1.285 182 A HN 2.782 nan 8.150 nan 0.000 0.403 183 G N 1.219 110.070 108.800 0.085 0.000 2.288 183 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.205 183 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.205 183 G C 0.645 175.600 174.900 0.091 0.000 1.071 183 G CA 0.375 45.510 45.100 0.058 0.000 0.788 183 G HN 0.937 nan 8.290 nan 0.000 0.491 184 R N -0.065 120.519 120.500 0.141 0.000 2.134 184 R HA -0.170 4.170 4.340 -0.000 0.000 0.248 184 R C -0.684 175.707 176.300 0.152 0.000 1.143 184 R CA 2.003 58.197 56.100 0.156 0.000 0.957 184 R CB -0.845 29.558 30.300 0.172 0.000 0.867 184 R HN 0.423 nan 8.270 nan 0.000 0.441 185 P HA 0.017 nan 4.420 nan 0.000 0.250 185 P C 0.015 177.359 177.300 0.073 0.000 1.239 185 P CA 1.191 64.363 63.100 0.120 0.000 0.756 185 P CB -0.010 31.752 31.700 0.103 0.000 1.013 186 G N -1.453 107.388 108.800 0.067 0.000 2.207 186 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 186 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 186 G C 0.607 175.502 174.900 -0.009 0.000 1.053 186 G CA -0.050 45.065 45.100 0.026 0.000 0.764 186 G HN 0.054 nan 8.290 nan 0.000 0.495 187 M N 0.512 120.104 119.600 -0.014 0.000 2.229 187 M HA 0.160 4.639 4.480 -0.000 0.000 0.264 187 M C 2.502 178.792 176.300 -0.016 0.000 1.063 187 M CA 2.250 57.521 55.300 -0.048 0.000 1.114 187 M CB -0.653 31.902 32.600 -0.074 0.000 1.387 187 M HN 0.468 nan 8.290 nan 0.000 0.420 188 G N -1.181 107.622 108.800 0.004 0.000 2.421 188 G HA2 0.003 3.963 3.960 -0.000 0.000 0.217 188 G HA3 0.003 3.963 3.960 -0.000 0.000 0.217 188 G C 1.530 176.428 174.900 -0.003 0.000 1.143 188 G CA 0.749 45.856 45.100 0.011 0.000 0.784 188 G HN 0.553 nan 8.290 nan 0.000 0.541 189 A N -0.068 122.740 122.820 -0.019 0.000 2.119 189 A HA 0.305 4.625 4.320 -0.000 0.000 0.216 189 A C 2.382 179.968 177.584 0.004 0.000 1.152 189 A CA 1.208 53.232 52.037 -0.023 0.000 0.708 189 A CB -0.083 18.890 19.000 -0.045 0.000 0.805 189 A HN 0.217 nan 8.150 nan 0.000 0.460 190 V N -0.738 119.178 119.914 0.003 0.000 2.599 190 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 190 V C 2.460 178.582 176.094 0.046 0.000 1.046 190 V CA 1.822 64.126 62.300 0.007 0.000 1.065 190 V CB -0.496 31.311 31.823 -0.026 0.000 0.703 190 V HN 0.708 nan 8.190 nan 0.000 0.464 191 M N 1.009 120.648 119.600 0.065 0.000 2.108 191 M HA -0.094 4.386 4.480 -0.000 0.000 0.261 191 M C 1.963 178.355 176.300 0.153 0.000 1.066 191 M CA 2.432 57.808 55.300 0.127 0.000 1.107 191 M CB -0.641 32.051 32.600 0.153 0.000 1.356 191 M HN 0.318 nan 8.290 nan 0.000 0.406 192 G N -0.778 108.100 108.800 0.131 0.000 2.408 192 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.217 192 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.217 192 G C 1.498 176.534 174.900 0.227 0.000 1.150 192 G CA 0.963 46.190 45.100 0.212 0.000 0.776 192 G HN 0.641 nan 8.290 nan 0.000 0.542 193 S N 0.444 116.217 115.700 0.122 0.000 2.442 193 S HA 0.007 4.477 4.470 -0.000 0.000 0.236 193 S C 1.826 176.468 174.600 0.070 0.000 1.007 193 S CA 1.046 59.296 58.200 0.083 0.000 0.965 193 S CB -0.098 63.126 63.200 0.041 0.000 0.773 193 S HN 0.398 nan 8.310 nan 0.000 0.504 194 K N 0.704 121.156 120.400 0.088 0.000 2.404 194 K HA 0.224 4.544 4.320 -0.000 0.000 0.194 194 K C 0.085 176.723 176.600 0.063 0.000 1.023 194 K CA -0.047 56.278 56.287 0.064 0.000 1.094 194 K CB -0.001 32.544 32.500 0.076 0.000 0.841 194 K HN 0.254 nan 8.250 nan 0.000 0.523 195 K N 0.787 121.250 120.400 0.104 0.000 3.160 195 K HA -0.168 4.152 4.320 -0.000 0.000 0.280 195 K C -0.696 175.978 176.600 0.123 0.000 1.154 195 K CA 0.192 56.476 56.287 -0.005 0.000 0.822 195 K CB -1.123 31.259 32.500 -0.196 0.000 1.239 195 K HN 0.091 nan 8.250 nan 0.000 0.489 196 L N 0.344 121.722 121.223 0.258 0.000 2.264 196 L HA 0.307 4.646 4.340 -0.000 0.000 0.289 196 L C 0.918 178.011 176.870 0.372 0.000 1.044 196 L CA 0.083 55.079 54.840 0.261 0.000 0.807 196 L CB 1.393 43.567 42.059 0.191 0.000 1.192 196 L HN 0.047 nan 8.230 nan 0.000 0.425 197 K N 3.987 124.623 120.400 0.393 0.000 2.323 197 K HA 0.609 4.929 4.320 -0.000 0.000 0.197 197 K C -0.168 176.536 176.600 0.173 0.000 1.043 197 K CA 0.823 57.303 56.287 0.322 0.000 0.997 197 K CB 0.460 33.208 32.500 0.413 0.000 0.807 197 K HN 0.736 nan 8.250 nan 0.000 0.497 198 A N -1.243 121.690 122.820 0.188 0.000 2.483 198 A HA 0.597 4.917 4.320 -0.000 0.000 0.294 198 A C -1.749 175.908 177.584 0.122 0.000 1.077 198 A CA -0.606 51.499 52.037 0.114 0.000 0.633 198 A CB 1.187 20.207 19.000 0.033 0.000 1.318 198 A HN -0.130 nan 8.150 nan 0.000 0.455 199 V N 0.404 120.338 119.914 0.034 0.000 2.655 199 V HA 0.524 4.644 4.120 -0.000 0.000 0.301 199 V C -0.939 175.141 176.094 -0.024 0.000 1.082 199 V CA -0.510 61.772 62.300 -0.030 0.000 0.899 199 V CB 1.576 33.231 31.823 -0.281 0.000 1.014 199 V HN 0.896 nan 8.190 nan 0.000 0.429 200 V N 6.281 126.207 119.914 0.020 0.000 2.417 200 V HA 0.606 4.726 4.120 -0.000 0.000 0.291 200 V C -0.212 175.745 176.094 -0.230 0.000 1.024 200 V CA -0.372 61.889 62.300 -0.064 0.000 0.861 200 V CB 1.645 33.475 31.823 0.012 0.000 0.985 200 V HN 0.697 nan 8.190 nan 0.000 0.436 201 I N 4.490 124.944 120.570 -0.193 0.000 2.689 201 I HA 0.717 4.887 4.170 -0.000 0.000 0.299 201 I C -0.321 175.630 176.117 -0.276 0.000 1.059 201 I CA -0.858 60.321 61.300 -0.203 0.000 1.055 201 I CB 2.386 40.357 38.000 -0.048 0.000 1.243 201 I HN 0.562 nan 8.210 nan 0.000 0.425 202 R N 2.689 122.995 120.500 -0.324 0.000 2.548 202 R HA 0.682 5.022 4.340 -0.000 0.000 0.280 202 R C -1.372 174.826 176.300 -0.170 0.000 1.061 202 R CA -0.456 55.331 56.100 -0.523 0.000 0.915 202 R CB 2.345 32.363 30.300 -0.470 0.000 1.210 202 R HN 0.931 nan 8.270 nan 0.000 0.442 203 G N 0.284 109.107 108.800 0.038 0.000 2.571 203 G HA2 0.426 4.386 3.960 -0.000 0.000 0.304 203 G HA3 0.426 4.386 3.960 -0.000 0.000 0.304 203 G C 0.226 175.226 174.900 0.167 0.000 1.314 203 G CA -0.283 44.909 45.100 0.153 0.000 0.975 203 G HN 0.610 nan 8.290 nan 0.000 0.485 204 T N -2.014 112.601 114.554 0.102 0.000 3.046 204 T HA 0.289 4.639 4.350 -0.000 0.000 0.270 204 T C 0.726 175.486 174.700 0.100 0.000 0.920 204 T CA -0.144 62.015 62.100 0.099 0.000 0.874 204 T CB 0.113 69.017 68.868 0.061 0.000 1.214 204 T HN 0.389 nan 8.240 nan 0.000 0.536 205 K N 1.867 122.323 120.400 0.092 0.000 2.336 205 K HA 0.207 4.527 4.320 -0.000 0.000 0.262 205 K C 0.051 176.778 176.600 0.211 0.000 0.992 205 K CA 0.046 56.408 56.287 0.125 0.000 0.927 205 K CB 0.537 33.072 32.500 0.059 0.000 0.956 205 K HN 0.352 nan 8.250 nan 0.000 0.495 206 E N 2.938 123.273 120.200 0.226 0.000 2.133 206 E HA 0.149 4.499 4.350 -0.000 0.000 0.274 206 E C -0.767 175.961 176.600 0.212 0.000 0.930 206 E CA -0.537 55.973 56.400 0.183 0.000 0.770 206 E CB 0.718 30.486 29.700 0.113 0.000 1.104 206 E HN 0.369 nan 8.360 nan 0.000 0.403 207 I N 6.572 127.209 120.570 0.112 0.000 2.496 207 I HA 0.126 4.296 4.170 -0.000 0.000 0.285 207 I C -1.749 174.226 176.117 -0.237 0.000 1.080 207 I CA -1.830 59.354 61.300 -0.193 0.000 1.404 207 I CB 0.557 38.443 38.000 -0.191 0.000 1.403 207 I HN 0.367 nan 8.210 nan 0.000 0.539 208 P HA 0.086 nan 4.420 nan 0.000 0.271 208 P C -0.674 176.621 177.300 -0.009 0.000 1.233 208 P CA 0.056 63.070 63.100 -0.143 0.000 0.764 208 P CB 0.979 32.521 31.700 -0.263 0.000 0.825 209 V N 3.932 123.887 119.914 0.068 0.000 2.409 209 V HA 0.310 4.430 4.120 -0.000 0.000 0.291 209 V C 1.425 177.388 176.094 -0.219 0.000 1.020 209 V CA -0.136 62.122 62.300 -0.070 0.000 0.848 209 V CB 1.344 33.088 31.823 -0.132 0.000 0.990 209 V HN 0.653 nan 8.190 nan 0.000 0.430 210 A N 3.769 126.266 122.820 -0.537 0.000 1.865 210 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 210 A C 1.088 178.369 177.584 -0.505 0.000 1.191 210 A CA 1.808 53.260 52.037 -0.975 0.000 0.623 210 A CB -0.076 18.477 19.000 -0.746 0.000 0.826 210 A HN 0.739 nan 8.150 nan 0.000 0.444 211 D N -1.424 118.780 120.400 -0.327 0.000 2.408 211 D HA 0.289 4.929 4.640 -0.000 0.000 0.261 211 D C 0.530 176.723 176.300 -0.179 0.000 1.190 211 D CA -0.323 53.543 54.000 -0.223 0.000 0.910 211 D CB 0.723 41.405 40.800 -0.196 0.000 1.097 211 D HN 0.192 nan 8.370 nan 0.000 0.522 212 K N 1.183 121.496 120.400 -0.144 0.000 2.097 212 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 212 K C 1.238 177.776 176.600 -0.104 0.000 1.049 212 K CA 0.808 57.026 56.287 -0.116 0.000 0.933 212 K CB 0.456 32.908 32.500 -0.080 0.000 0.717 212 K HN 0.278 nan 8.250 nan 0.000 0.442 213 E N 0.913 121.058 120.200 -0.092 0.000 2.072 213 E HA -0.136 4.213 4.350 -0.000 0.000 0.191 213 E C 1.943 178.492 176.600 -0.085 0.000 0.985 213 E CA 0.958 57.312 56.400 -0.077 0.000 0.801 213 E CB 0.013 29.674 29.700 -0.065 0.000 0.750 213 E HN 0.166 nan 8.360 nan 0.000 0.452 214 E N 0.502 120.641 120.200 -0.103 0.000 2.031 214 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 214 E C 2.198 178.725 176.600 -0.121 0.000 0.994 214 E CA 0.446 56.782 56.400 -0.106 0.000 0.800 214 E CB -0.465 29.163 29.700 -0.122 0.000 0.752 214 E HN 0.163 nan 8.360 nan 0.000 0.447 215 L N 1.794 122.924 121.223 -0.155 0.000 2.013 215 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 215 L C 2.128 178.902 176.870 -0.160 0.000 1.073 215 L CA 2.004 56.729 54.840 -0.192 0.000 0.753 215 L CB -0.474 41.452 42.059 -0.223 0.000 0.890 215 L HN -0.035 nan 8.230 nan 0.000 0.432 216 K N -0.158 120.169 120.400 -0.121 0.000 1.987 216 K HA -0.286 4.034 4.320 -0.000 0.000 0.216 216 K C 2.284 178.844 176.600 -0.067 0.000 1.051 216 K CA 2.244 58.480 56.287 -0.085 0.000 0.942 216 K CB -0.378 32.086 32.500 -0.060 0.000 0.722 216 K HN 0.370 nan 8.250 nan 0.000 0.444 217 K N 1.017 121.384 120.400 -0.055 0.000 2.044 217 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 217 K C 2.301 178.888 176.600 -0.021 0.000 1.049 217 K CA 1.303 57.571 56.287 -0.032 0.000 0.927 217 K CB -0.165 32.315 32.500 -0.033 0.000 0.713 217 K HN 0.086 nan 8.250 nan 0.000 0.443 218 L N 0.282 121.482 121.223 -0.039 0.000 2.046 218 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 218 L C 2.530 179.361 176.870 -0.066 0.000 1.077 218 L CA 1.293 56.139 54.840 0.010 0.000 0.747 218 L CB -0.326 41.714 42.059 -0.031 0.000 0.896 218 L HN 0.231 nan 8.230 nan 0.000 0.432 219 S N -0.758 114.841 115.700 -0.169 0.000 2.355 219 S HA -0.272 4.198 4.470 -0.000 0.000 0.222 219 S C 1.827 176.300 174.600 -0.213 0.000 1.031 219 S CA 1.536 59.552 58.200 -0.307 0.000 0.993 219 S CB -0.172 62.869 63.200 -0.266 0.000 0.859 219 S HN 0.416 nan 8.310 nan 0.000 0.453 220 Q N 1.263 121.042 119.800 -0.035 0.000 2.152 220 Q HA -0.181 4.159 4.340 -0.000 0.000 0.206 220 Q C 1.764 177.784 176.000 0.033 0.000 0.985 220 Q CA 1.820 57.661 55.803 0.063 0.000 0.863 220 Q CB -0.191 28.573 28.738 0.042 0.000 0.904 220 Q HN 0.579 nan 8.270 nan 0.000 0.422 221 E N -0.440 119.763 120.200 0.005 0.000 2.106 221 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 221 E C 1.946 178.512 176.600 -0.057 0.000 0.984 221 E CA 0.791 57.226 56.400 0.059 0.000 0.806 221 E CB -0.158 29.660 29.700 0.197 0.000 0.750 221 E HN 0.543 nan 8.360 nan 0.000 0.458 222 A N 0.613 123.204 122.820 -0.381 0.000 1.873 222 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 222 A C 1.822 179.191 177.584 -0.358 0.000 1.186 222 A CA 1.189 52.747 52.037 -0.800 0.000 0.616 222 A CB -0.721 17.620 19.000 -1.097 0.000 0.823 222 A HN 0.220 nan 8.150 nan 0.000 0.442 223 Y N 0.956 121.148 120.300 -0.180 0.000 2.097 223 Y HA -0.212 4.338 4.550 -0.000 0.000 0.282 223 Y C 2.492 178.334 175.900 -0.097 0.000 1.152 223 Y CA 1.501 59.541 58.100 -0.102 0.000 1.136 223 Y CB -0.743 37.678 38.460 -0.064 0.000 0.975 223 Y HN 0.321 nan 8.280 nan 0.000 0.498 224 N N 0.225 118.977 118.700 0.087 0.000 2.104 224 N HA -0.214 4.526 4.740 -0.000 0.000 0.190 224 N C 1.894 177.403 175.510 -0.002 0.000 1.024 224 N CA 1.534 54.597 53.050 0.022 0.000 0.853 224 N CB -0.561 37.944 38.487 0.029 0.000 1.008 224 N HN 0.522 nan 8.380 nan 0.000 0.424 225 E N 0.464 120.669 120.200 0.009 0.000 2.118 225 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 225 E C 1.921 178.531 176.600 0.016 0.000 0.992 225 E CA 0.864 57.284 56.400 0.032 0.000 0.804 225 E CB -0.094 29.645 29.700 0.066 0.000 0.741 225 E HN 0.315 nan 8.360 nan 0.000 0.458 226 I N 0.462 121.032 120.570 -0.000 0.000 2.163 226 I HA -0.281 3.888 4.170 -0.000 0.000 0.240 226 I C 2.384 178.439 176.117 -0.104 0.000 1.081 226 I CA 0.902 62.215 61.300 0.021 0.000 1.353 226 I CB -0.177 37.874 38.000 0.085 0.000 1.054 226 I HN 0.206 nan 8.210 nan 0.000 0.407 227 L N 0.554 121.629 121.223 -0.247 0.000 2.129 227 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 227 L C 1.795 178.438 176.870 -0.378 0.000 1.087 227 L CA 1.333 55.828 54.840 -0.575 0.000 0.757 227 L CB -0.477 41.383 42.059 -0.332 0.000 0.896 227 L HN 0.412 nan 8.230 nan 0.000 0.434 228 N N -0.842 117.775 118.700 -0.137 0.000 2.299 228 N HA 0.004 4.743 4.740 -0.000 0.000 0.187 228 N C 0.677 176.205 175.510 0.030 0.000 1.099 228 N CA 0.314 53.340 53.050 -0.040 0.000 0.867 228 N CB 0.272 38.753 38.487 -0.010 0.000 0.974 228 N HN 0.241 nan 8.380 nan 0.000 0.477 229 S N 1.965 117.697 115.700 0.053 0.000 2.568 229 S HA 0.109 4.579 4.470 -0.000 0.000 0.282 229 S C -1.164 173.518 174.600 0.136 0.000 1.338 229 S CA -0.866 57.391 58.200 0.096 0.000 1.045 229 S CB 1.349 64.612 63.200 0.106 0.000 0.873 229 S HN 0.022 nan 8.310 nan 0.000 0.516 230 P HA -0.018 nan 4.420 nan 0.000 0.218 230 P C 1.419 178.818 177.300 0.165 0.000 1.148 230 P CA 1.671 64.845 63.100 0.124 0.000 0.822 230 P CB -0.565 31.187 31.700 0.087 0.000 0.784 231 G N -1.741 107.160 108.800 0.169 0.000 2.848 231 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.208 231 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.208 231 G C 1.380 176.455 174.900 0.293 0.000 1.152 231 G CA -0.127 45.099 45.100 0.210 0.000 0.789 231 G HN 0.179 nan 8.290 nan 0.000 0.531 232 Y N 2.502 122.904 120.300 0.169 0.000 2.114 232 Y HA -0.083 4.466 4.550 -0.000 0.000 0.284 232 Y C 0.182 176.217 175.900 0.226 0.000 1.143 232 Y CA 1.788 60.008 58.100 0.201 0.000 1.135 232 Y CB -0.724 37.819 38.460 0.138 0.000 0.980 232 Y HN 0.196 nan 8.280 nan 0.000 0.499 233 P HA -0.236 nan 4.420 nan 0.000 0.215 233 P C 1.525 178.874 177.300 0.083 0.000 1.157 233 P CA 1.857 65.027 63.100 0.116 0.000 0.874 233 P CB -0.377 31.439 31.700 0.194 0.000 0.790 234 F N -1.066 118.894 119.950 0.017 0.000 2.259 234 F HA -0.066 4.461 4.527 -0.000 0.000 0.298 234 F C 2.217 177.992 175.800 -0.042 0.000 1.088 234 F CA 0.811 58.805 58.000 -0.009 0.000 1.358 234 F CB -0.755 38.265 39.000 0.033 0.000 1.040 234 F HN -0.013 nan 8.300 nan 0.000 0.505 235 W N 1.873 123.074 121.300 -0.164 0.000 2.363 235 W HA -0.228 4.432 4.660 -0.000 0.000 0.296 235 W C 2.105 178.405 176.519 -0.364 0.000 1.212 235 W CA 1.755 58.933 57.345 -0.278 0.000 1.260 235 W CB -0.438 28.920 29.460 -0.170 0.000 1.131 235 W HN 0.066 nan 8.180 nan 0.000 0.530 236 K N 0.717 120.846 120.400 -0.453 0.000 2.211 236 K HA -0.176 4.144 4.320 -0.000 0.000 0.203 236 K C 2.230 178.556 176.600 -0.456 0.000 1.050 236 K CA 1.198 57.188 56.287 -0.495 0.000 0.945 236 K CB -0.079 32.153 32.500 -0.447 0.000 0.732 236 K HN 0.125 nan 8.250 nan 0.000 0.451 237 R N -0.173 120.055 120.500 -0.453 0.000 2.055 237 R HA -0.018 4.322 4.340 -0.000 0.000 0.226 237 R C 1.975 177.931 176.300 -0.572 0.000 1.135 237 R CA 1.443 57.285 56.100 -0.429 0.000 0.959 237 R CB 0.069 30.170 30.300 -0.331 0.000 0.854 237 R HN 0.271 nan 8.270 nan 0.000 0.431 238 Q N -0.445 118.847 119.800 -0.846 0.000 2.246 238 Q HA 0.211 4.551 4.340 -0.000 0.000 0.222 238 Q C 0.801 176.355 176.000 -0.742 0.000 0.851 238 Q CA 0.257 55.600 55.803 -0.767 0.000 0.945 238 Q CB 1.546 29.744 28.738 -0.899 0.000 1.122 238 Q HN 0.388 nan 8.270 nan 0.000 0.508 239 G N 2.182 110.341 108.800 -1.069 0.000 2.614 239 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.303 239 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.303 239 G C 0.844 175.211 174.900 -0.889 0.000 1.270 239 G CA 1.161 45.365 45.100 -1.493 0.000 0.988 239 G HN 0.411 nan 8.290 nan 0.000 0.551 240 T N -2.106 112.174 114.554 -0.457 0.000 3.160 240 T HA 0.215 4.564 4.350 -0.000 0.000 0.257 240 T C 2.213 176.880 174.700 -0.055 0.000 1.147 240 T CA 1.706 63.754 62.100 -0.087 0.000 1.064 240 T CB -0.024 68.879 68.868 0.059 0.000 0.949 240 T HN 0.336 nan 8.240 nan 0.000 0.526 241 M N 1.485 121.003 119.600 -0.137 0.000 2.460 241 M HA 0.293 4.772 4.480 -0.000 0.000 0.263 241 M C 2.419 178.688 176.300 -0.051 0.000 1.071 241 M CA 0.325 55.592 55.300 -0.054 0.000 1.096 241 M CB -1.423 31.087 32.600 -0.149 0.000 1.408 241 M HN 0.552 nan 8.290 nan 0.000 0.463 242 A N -0.631 122.119 122.820 -0.117 0.000 2.168 242 A HA 0.183 4.502 4.320 -0.000 0.000 0.215 242 A C 2.208 179.838 177.584 0.076 0.000 1.152 242 A CA 1.274 53.310 52.037 -0.002 0.000 0.716 242 A CB -0.617 18.436 19.000 0.090 0.000 0.794 242 A HN 0.443 nan 8.150 nan 0.000 0.465 243 A N -0.629 122.162 122.820 -0.049 0.000 2.167 243 A HA 0.201 4.521 4.320 -0.000 0.000 0.214 243 A C 1.991 179.559 177.584 -0.026 0.000 1.151 243 A CA 1.189 53.125 52.037 -0.168 0.000 0.735 243 A CB -0.426 18.076 19.000 -0.830 0.000 0.802 243 A HN 0.282 nan 8.150 nan 0.000 0.467 244 V N -0.274 119.742 119.914 0.171 0.000 2.244 244 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 244 V C 2.582 178.806 176.094 0.216 0.000 1.042 244 V CA 2.254 64.729 62.300 0.292 0.000 1.006 244 V CB -0.649 31.331 31.823 0.261 0.000 0.641 244 V HN 0.513 nan 8.190 nan 0.000 0.446 245 E N -0.618 119.714 120.200 0.220 0.000 2.023 245 E HA -0.276 4.073 4.350 -0.000 0.000 0.196 245 E C 1.771 178.489 176.600 0.197 0.000 1.003 245 E CA 1.905 58.428 56.400 0.205 0.000 0.809 245 E CB -0.556 29.308 29.700 0.273 0.000 0.755 245 E HN 0.663 nan 8.360 nan 0.000 0.449 246 W N -0.081 121.259 121.300 0.066 0.000 2.331 246 W HA -0.276 4.383 4.660 -0.000 0.000 0.291 246 W C 2.182 178.710 176.519 0.014 0.000 1.214 246 W CA 1.635 59.005 57.345 0.042 0.000 1.228 246 W CB -0.383 29.111 29.460 0.058 0.000 1.135 246 W HN 0.123 nan 8.180 nan 0.000 0.537 247 C N -0.077 119.297 119.300 0.122 0.000 2.485 247 C HA -0.033 4.427 4.460 -0.000 0.000 0.278 247 C C 2.484 177.398 174.990 -0.127 0.000 1.356 247 C CA 1.286 60.270 59.018 -0.058 0.000 1.747 247 C CB -1.539 26.299 27.740 0.163 0.000 2.001 247 C HN 0.460 nan 8.230 nan 0.000 0.501 248 N N 0.664 119.329 118.700 -0.059 0.000 2.216 248 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 248 N C 1.618 176.982 175.510 -0.243 0.000 1.017 248 N CA 1.441 54.438 53.050 -0.089 0.000 0.861 248 N CB -0.266 38.204 38.487 -0.028 0.000 0.986 248 N HN 0.351 nan 8.380 nan 0.000 0.428 249 T N 0.045 114.461 114.554 -0.230 0.000 2.962 249 T HA 0.049 4.399 4.350 -0.000 0.000 0.270 249 T C 0.864 175.313 174.700 -0.418 0.000 1.088 249 T CA 0.758 62.690 62.100 -0.280 0.000 1.127 249 T CB -0.080 68.695 68.868 -0.156 0.000 0.883 249 T HN 0.316 nan 8.240 nan 0.000 0.493 250 N N 0.176 118.590 118.700 -0.478 0.000 2.204 250 N HA 0.109 4.849 4.740 -0.000 0.000 0.219 250 N C -0.657 174.824 175.510 -0.049 0.000 1.151 250 N CA -0.068 52.780 53.050 -0.337 0.000 0.867 250 N CB 0.577 38.656 38.487 -0.681 0.000 1.043 250 N HN 0.343 nan 8.380 nan 0.000 0.516 251 Y N -0.214 120.075 120.300 -0.019 0.000 3.589 251 Y HA -0.314 4.236 4.550 -0.000 0.000 0.218 251 Y C 1.143 177.110 175.900 0.112 0.000 1.234 251 Y CA 0.472 58.618 58.100 0.076 0.000 1.576 251 Y CB -2.234 36.257 38.460 0.053 0.000 1.487 251 Y HN 0.213 nan 8.280 nan 0.000 0.616 252 A N -0.799 122.072 122.820 0.086 0.000 2.382 252 A HA 0.411 4.731 4.320 -0.000 0.000 0.228 252 A C 0.439 178.112 177.584 0.148 0.000 1.217 252 A CA -0.231 51.875 52.037 0.114 0.000 0.923 252 A CB 0.392 19.352 19.000 -0.067 0.000 0.979 252 A HN 0.232 nan 8.150 nan 0.000 0.515 253 L N 2.284 123.563 121.223 0.093 0.000 2.456 253 L HA 0.345 4.684 4.340 -0.000 0.000 0.277 253 L C -2.689 174.170 176.870 -0.019 0.000 1.124 253 L CA -2.183 52.690 54.840 0.054 0.000 0.880 253 L CB 0.221 42.302 42.059 0.037 0.000 1.192 253 L HN -0.081 nan 8.230 nan 0.000 0.463 254 P HA 0.095 nan 4.420 nan 0.000 0.261 254 P C -1.185 175.860 177.300 -0.425 0.000 1.203 254 P CA 0.304 63.150 63.100 -0.422 0.000 0.767 254 P CB 0.341 31.450 31.700 -0.986 0.000 0.785 255 T N 4.804 119.169 114.554 -0.315 0.000 2.840 255 T HA 0.367 4.717 4.350 -0.000 0.000 0.287 255 T C -0.322 174.145 174.700 -0.388 0.000 0.991 255 T CA -0.826 61.052 62.100 -0.369 0.000 0.964 255 T CB 0.688 69.432 68.868 -0.207 0.000 0.954 255 T HN 0.272 nan 8.240 nan 0.000 0.438 256 R N 2.811 122.983 120.500 -0.548 0.000 2.730 256 R HA -0.196 4.144 4.340 -0.000 0.000 0.290 256 R C -0.059 175.940 176.300 -0.503 0.000 0.964 256 R CA 0.153 55.682 56.100 -0.952 0.000 0.782 256 R CB -1.350 28.194 30.300 -1.260 0.000 2.060 256 R HN 0.866 nan 8.270 nan 0.000 0.503 257 N N 1.562 120.199 118.700 -0.105 0.000 2.699 257 N HA -0.251 4.488 4.740 -0.000 0.000 0.256 257 N C -0.345 175.304 175.510 0.230 0.000 0.993 257 N CA 1.671 54.819 53.050 0.164 0.000 0.759 257 N CB -0.794 37.916 38.487 0.371 0.000 0.906 257 N HN 0.588 nan 8.380 nan 0.000 0.541 258 F N -2.728 117.250 119.950 0.047 0.000 3.048 258 F HA -0.337 4.190 4.527 -0.000 0.000 0.287 258 F C 1.888 177.834 175.800 0.243 0.000 0.796 258 F CA 1.155 59.239 58.000 0.141 0.000 1.111 258 F CB -2.091 36.983 39.000 0.125 0.000 1.320 258 F HN 0.371 nan 8.300 nan 0.000 0.430 259 S N -1.136 114.691 115.700 0.210 0.000 2.382 259 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 259 S C 0.789 175.529 174.600 0.233 0.000 1.027 259 S CA 1.781 60.097 58.200 0.193 0.000 0.991 259 S CB 0.049 63.231 63.200 -0.031 0.000 0.823 259 S HN 0.499 nan 8.310 nan 0.000 0.469 260 D N -2.750 117.765 120.400 0.192 0.000 2.592 260 D HA 0.611 5.251 4.640 -0.000 0.000 0.263 260 D C 0.231 176.687 176.300 0.260 0.000 1.132 260 D CA -0.001 54.114 54.000 0.191 0.000 0.996 260 D CB 1.492 42.363 40.800 0.119 0.000 1.442 260 D HN 0.080 nan 8.370 nan 0.000 0.486 261 G N -0.426 108.551 108.800 0.296 0.000 3.324 261 G HA2 0.171 4.130 3.960 -0.000 0.000 0.251 261 G HA3 0.171 4.130 3.960 -0.000 0.000 0.251 261 G C -0.666 174.388 174.900 0.258 0.000 1.072 261 G CA 0.082 45.358 45.100 0.294 0.000 0.787 261 G HN 0.299 nan 8.290 nan 0.000 0.537 262 Y N 0.158 120.531 120.300 0.120 0.000 2.477 262 Y HA 0.721 5.271 4.550 -0.000 0.000 0.347 262 Y C -2.191 173.787 175.900 0.131 0.000 0.981 262 Y CA -2.365 55.774 58.100 0.064 0.000 1.033 262 Y CB 2.017 40.523 38.460 0.076 0.000 1.245 262 Y HN -0.095 nan 8.280 nan 0.000 0.455 263 F N 6.739 126.154 119.950 -0.892 0.000 2.507 263 F HA 0.335 4.862 4.527 -0.000 0.000 0.328 263 F C 0.849 176.001 175.800 -1.079 0.000 1.136 263 F CA -1.699 55.874 58.000 -0.711 0.000 0.930 263 F CB 1.469 40.252 39.000 -0.361 0.000 1.166 263 F HN 0.712 nan 8.300 nan 0.000 0.436 264 E N 4.026 123.553 120.200 -1.122 0.000 2.268 264 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 264 E C 0.378 176.295 176.600 -1.139 0.000 0.995 264 E CA 1.451 57.221 56.400 -1.051 0.000 0.836 264 E CB -0.424 28.738 29.700 -0.897 0.000 0.763 264 E HN 0.485 nan 8.360 nan 0.000 0.491 265 F N 0.617 119.848 119.950 -1.198 0.000 2.647 265 F HA 0.515 5.042 4.527 -0.000 0.000 0.300 265 F C 1.969 177.431 175.800 -0.563 0.000 1.106 265 F CA -0.482 57.013 58.000 -0.841 0.000 1.313 265 F CB 0.041 38.552 39.000 -0.816 0.000 1.007 265 F HN 0.032 nan 8.300 nan 0.000 0.536 266 A N 0.493 123.113 122.820 -0.334 0.000 1.986 266 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 266 A C 2.536 180.153 177.584 0.056 0.000 1.171 266 A CA 1.463 53.518 52.037 0.030 0.000 0.640 266 A CB -0.372 18.620 19.000 -0.012 0.000 0.811 266 A HN 0.252 nan 8.150 nan 0.000 0.451 267 R N 0.290 120.799 120.500 0.014 0.000 2.081 267 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 267 R C 2.095 178.436 176.300 0.068 0.000 1.131 267 R CA 1.658 57.792 56.100 0.056 0.000 0.960 267 R CB -0.661 29.659 30.300 0.033 0.000 0.856 267 R HN 0.685 nan 8.270 nan 0.000 0.436 268 S N 0.836 116.565 115.700 0.048 0.000 2.720 268 S HA 0.020 4.489 4.470 -0.000 0.000 0.222 268 S C 1.461 176.087 174.600 0.044 0.000 0.958 268 S CA 0.337 58.556 58.200 0.032 0.000 0.943 268 S CB -0.523 62.672 63.200 -0.008 0.000 0.779 268 S HN 0.526 nan 8.310 nan 0.000 0.526 269 I N -1.436 119.182 120.570 0.079 0.000 3.336 269 I HA 0.418 4.588 4.170 -0.000 0.000 0.323 269 I C -0.815 175.352 176.117 0.083 0.000 1.520 269 I CA -0.834 60.511 61.300 0.075 0.000 0.959 269 I CB 0.390 38.457 38.000 0.111 0.000 1.463 269 I HN -0.013 nan 8.210 nan 0.000 0.571 270 D N 0.591 121.047 120.400 0.093 0.000 2.494 270 D HA 0.382 5.022 4.640 -0.000 0.000 0.259 270 D C 1.414 177.745 176.300 0.052 0.000 1.109 270 D CA -0.142 53.924 54.000 0.110 0.000 1.040 270 D CB 1.219 42.127 40.800 0.180 0.000 1.175 270 D HN -0.004 nan 8.370 nan 0.000 0.584 271 G N -1.007 107.784 108.800 -0.015 0.000 2.462 271 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.220 271 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.220 271 G C 1.002 175.745 174.900 -0.262 0.000 1.121 271 G CA 0.816 45.798 45.100 -0.198 0.000 0.758 271 G HN 0.505 nan 8.290 nan 0.000 0.559 272 Y N 0.679 120.994 120.300 0.026 0.000 2.337 272 Y HA 0.034 4.583 4.550 -0.000 0.000 0.293 272 Y C 3.197 179.100 175.900 0.004 0.000 1.123 272 Y CA 1.348 59.464 58.100 0.026 0.000 1.201 272 Y CB -0.472 38.019 38.460 0.052 0.000 1.011 272 Y HN 0.093 nan 8.280 nan 0.000 0.545 273 T N 0.796 115.437 114.554 0.144 0.000 2.701 273 T HA -0.217 4.133 4.350 -0.000 0.000 0.263 273 T C 2.103 176.813 174.700 0.017 0.000 1.040 273 T CA 1.462 63.605 62.100 0.072 0.000 1.147 273 T CB -0.374 68.529 68.868 0.058 0.000 0.865 273 T HN 0.234 nan 8.240 nan 0.000 0.426 274 M N 1.622 121.214 119.600 -0.014 0.000 2.089 274 M HA -0.170 4.310 4.480 -0.000 0.000 0.257 274 M C 2.096 178.356 176.300 -0.067 0.000 1.071 274 M CA 1.826 57.094 55.300 -0.053 0.000 1.096 274 M CB -0.850 31.698 32.600 -0.087 0.000 1.330 274 M HN 0.300 nan 8.290 nan 0.000 0.403 275 E N -0.907 119.242 120.200 -0.085 0.000 2.147 275 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 275 E C 1.571 178.149 176.600 -0.038 0.000 1.005 275 E CA 1.313 57.661 56.400 -0.086 0.000 0.810 275 E CB -0.356 29.294 29.700 -0.084 0.000 0.736 275 E HN 0.737 nan 8.360 nan 0.000 0.460 276 G N -0.781 108.014 108.800 -0.007 0.000 3.141 276 G HA2 0.021 3.981 3.960 -0.000 0.000 0.218 276 G HA3 0.021 3.981 3.960 -0.000 0.000 0.218 276 G C 1.007 175.900 174.900 -0.011 0.000 1.170 276 G CA -0.245 44.856 45.100 0.001 0.000 0.769 276 G HN 0.098 nan 8.290 nan 0.000 0.546 277 M N -0.348 119.238 119.600 -0.023 0.000 2.347 277 M HA 0.271 4.751 4.480 -0.000 0.000 0.324 277 M C 0.580 176.859 176.300 -0.034 0.000 1.028 277 M CA -0.073 55.211 55.300 -0.026 0.000 0.988 277 M CB 0.928 33.511 32.600 -0.028 0.000 1.528 277 M HN -0.117 nan 8.290 nan 0.000 0.550 278 K N 1.930 122.303 120.400 -0.044 0.000 2.297 278 K HA 0.195 4.515 4.320 -0.000 0.000 0.286 278 K C 0.755 177.330 176.600 -0.041 0.000 1.053 278 K CA -0.103 56.152 56.287 -0.053 0.000 0.940 278 K CB 1.234 33.688 32.500 -0.077 0.000 1.019 278 K HN 0.123 nan 8.250 nan 0.000 0.475 279 V N 0.497 120.389 119.914 -0.038 0.000 3.612 279 V HA 0.263 4.383 4.120 -0.000 0.000 0.268 279 V C 0.174 176.248 176.094 -0.032 0.000 1.365 279 V CA -0.059 62.224 62.300 -0.029 0.000 1.044 279 V CB 0.340 32.151 31.823 -0.020 0.000 0.820 279 V HN 0.712 nan 8.190 nan 0.000 0.444 280 Q N -0.050 119.725 119.800 -0.042 0.000 2.482 280 Q HA 0.572 4.912 4.340 -0.000 0.000 0.286 280 Q C -1.541 174.423 176.000 -0.059 0.000 1.007 280 Q CA -0.355 55.422 55.803 -0.044 0.000 0.801 280 Q CB 2.776 31.490 28.738 -0.039 0.000 1.455 280 Q HN 0.489 nan 8.270 nan 0.000 0.398 281 Q N 1.513 121.277 119.800 -0.059 0.000 2.274 281 Q HA 0.546 4.886 4.340 -0.000 0.000 0.268 281 Q C -1.479 174.489 176.000 -0.053 0.000 1.015 281 Q CA -0.390 55.370 55.803 -0.071 0.000 0.775 281 Q CB 1.482 30.169 28.738 -0.085 0.000 1.256 281 Q HN 0.525 nan 8.270 nan 0.000 0.442 282 R N 1.219 121.687 120.500 -0.052 0.000 2.919 282 R HA 0.892 5.232 4.340 -0.000 0.000 0.260 282 R C -0.504 175.786 176.300 -0.017 0.000 1.067 282 R CA -0.844 55.234 56.100 -0.035 0.000 1.003 282 R CB 2.103 32.377 30.300 -0.042 0.000 1.192 282 R HN 0.692 nan 8.270 nan 0.000 0.488 283 G N -0.194 108.607 108.800 0.001 0.000 2.682 283 G HA2 0.449 4.408 3.960 -0.000 0.000 0.290 283 G HA3 0.449 4.408 3.960 -0.000 0.000 0.290 283 G C -0.948 173.974 174.900 0.036 0.000 1.425 283 G CA -0.603 44.517 45.100 0.034 0.000 0.807 283 G HN 0.628 nan 8.290 nan 0.000 0.482 284 C N 0.876 120.216 119.300 0.067 0.000 2.422 284 C HA 0.622 5.082 4.460 -0.000 0.000 0.364 284 C C -1.743 173.279 174.990 0.053 0.000 1.251 284 C CA -1.097 57.959 59.018 0.064 0.000 2.441 284 C CB 0.827 28.627 27.740 0.099 0.000 2.393 284 C HN 0.584 nan 8.230 nan 0.000 0.606 285 P HA 0.023 nan 4.420 nan 0.000 0.265 285 P C -0.812 176.519 177.300 0.053 0.000 1.193 285 P CA 0.619 63.655 63.100 -0.108 0.000 0.765 285 P CB -0.066 31.493 31.700 -0.235 0.000 0.823 286 Y N -1.745 118.612 120.300 0.094 0.000 4.032 286 Y HA -0.196 4.354 4.550 -0.000 0.000 0.230 286 Y C 0.553 176.598 175.900 0.242 0.000 1.202 286 Y CA 0.043 58.238 58.100 0.157 0.000 1.878 286 Y CB -2.170 36.402 38.460 0.187 0.000 1.586 286 Y HN 0.573 nan 8.280 nan 0.000 0.673 287 C N 1.657 121.128 119.300 0.286 0.000 2.396 287 C HA 0.596 5.055 4.460 -0.000 0.000 0.321 287 C C 1.113 176.213 174.990 0.183 0.000 1.233 287 C CA 0.028 59.218 59.018 0.287 0.000 1.440 287 C CB 0.003 27.883 27.740 0.233 0.000 2.110 287 C HN 0.649 nan 8.230 nan 0.000 0.473 288 N N 3.538 122.354 118.700 0.194 0.000 2.268 288 N HA 0.122 4.862 4.740 -0.000 0.000 0.204 288 N C 0.163 175.847 175.510 0.290 0.000 1.124 288 N CA -0.205 52.914 53.050 0.115 0.000 0.838 288 N CB 0.096 38.553 38.487 -0.050 0.000 0.994 288 N HN 0.804 nan 8.380 nan 0.000 0.489 289 M N -1.240 118.559 119.600 0.332 0.000 2.952 289 M HA 0.513 4.993 4.480 -0.000 0.000 0.259 289 M C -2.981 173.540 176.300 0.369 0.000 1.306 289 M CA -1.830 53.730 55.300 0.433 0.000 0.626 289 M CB 0.842 33.729 32.600 0.478 0.000 1.423 289 M HN -0.251 nan 8.290 nan 0.000 0.459 290 P HA -0.026 nan 4.420 nan 0.000 0.265 290 P C 0.432 177.751 177.300 0.032 0.000 1.187 290 P CA 0.185 63.354 63.100 0.116 0.000 0.766 290 P CB 0.833 32.560 31.700 0.046 0.000 0.820 291 C N 0.493 119.802 119.300 0.015 0.000 3.657 291 C HA 0.455 4.915 4.460 -0.000 0.000 0.291 291 C C 1.025 175.922 174.990 -0.155 0.000 1.572 291 C CA -0.066 58.845 59.018 -0.178 0.000 1.818 291 C CB -0.489 27.190 27.740 -0.102 0.000 2.903 291 C HN 0.560 nan 8.230 nan 0.000 0.632 292 G N 2.911 111.665 108.800 -0.076 0.000 2.621 292 G HA2 0.320 4.280 3.960 -0.000 0.000 0.306 292 G HA3 0.320 4.280 3.960 -0.000 0.000 0.306 292 G C -0.423 174.420 174.900 -0.095 0.000 0.893 292 G CA -0.072 44.989 45.100 -0.065 0.000 1.486 292 G HN 0.565 nan 8.290 nan 0.000 0.477 293 N N 1.497 120.121 118.700 -0.126 0.000 2.422 293 N HA 0.197 4.937 4.740 -0.000 0.000 0.264 293 N C -0.315 175.144 175.510 -0.086 0.000 1.063 293 N CA -0.162 52.810 53.050 -0.130 0.000 0.959 293 N CB 2.460 40.837 38.487 -0.182 0.000 1.087 293 N HN 0.090 nan 8.380 nan 0.000 0.483 294 V N 2.924 122.796 119.914 -0.071 0.000 2.370 294 V HA 0.332 4.452 4.120 -0.000 0.000 0.279 294 V C 0.722 176.791 176.094 -0.041 0.000 1.029 294 V CA -0.763 61.510 62.300 -0.045 0.000 0.870 294 V CB 1.171 32.971 31.823 -0.038 0.000 0.984 294 V HN 0.414 nan 8.190 nan 0.000 0.451 295 V N 3.359 123.256 119.914 -0.029 0.000 3.177 295 V HA 0.665 4.785 4.120 -0.000 0.000 0.319 295 V C -0.412 175.676 176.094 -0.011 0.000 1.125 295 V CA -1.082 61.202 62.300 -0.026 0.000 1.029 295 V CB 2.141 33.945 31.823 -0.031 0.000 1.119 295 V HN 0.604 nan 8.190 nan 0.000 0.452 296 L N 2.313 123.529 121.223 -0.012 0.000 2.295 296 L HA 0.491 4.831 4.340 -0.000 0.000 0.285 296 L C -0.225 176.641 176.870 -0.008 0.000 1.035 296 L CA -0.540 54.298 54.840 -0.003 0.000 0.806 296 L CB 1.646 43.702 42.059 -0.006 0.000 1.214 296 L HN 1.037 nan 8.230 nan 0.000 0.426 297 D N 2.281 122.682 120.400 0.001 0.000 2.478 297 D HA 0.173 4.812 4.640 -0.000 0.000 0.269 297 D C 0.971 177.259 176.300 -0.020 0.000 1.232 297 D CA -0.269 53.725 54.000 -0.009 0.000 1.059 297 D CB 0.846 41.653 40.800 0.012 0.000 1.104 297 D HN 0.465 nan 8.370 nan 0.000 0.566 298 A N -0.519 122.275 122.820 -0.043 0.000 2.024 298 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 298 A C 1.653 179.235 177.584 -0.003 0.000 1.164 298 A CA 1.484 53.491 52.037 -0.050 0.000 0.643 298 A CB -0.799 18.134 19.000 -0.111 0.000 0.806 298 A HN 0.671 nan 8.150 nan 0.000 0.451 299 E N -1.530 118.684 120.200 0.023 0.000 2.437 299 E HA 0.330 4.680 4.350 -0.000 0.000 0.189 299 E C 1.039 177.653 176.600 0.024 0.000 1.054 299 E CA 0.206 56.626 56.400 0.033 0.000 0.874 299 E CB -0.071 29.661 29.700 0.052 0.000 1.011 299 E HN 0.694 nan 8.360 nan 0.000 0.474 300 G N 1.249 110.058 108.800 0.015 0.000 2.184 300 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 300 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 300 G C 0.233 175.146 174.900 0.021 0.000 0.975 300 G CA -0.005 45.103 45.100 0.013 0.000 0.642 300 G HN 0.141 nan 8.290 nan 0.000 0.536 301 Q N 1.014 120.832 119.800 0.030 0.000 2.259 301 Q HA 0.403 4.742 4.340 -0.000 0.000 0.249 301 Q C 0.624 176.654 176.000 0.050 0.000 0.914 301 Q CA -0.182 55.648 55.803 0.046 0.000 0.904 301 Q CB 0.774 29.544 28.738 0.054 0.000 1.213 301 Q HN 0.672 nan 8.270 nan 0.000 0.428 302 E N 0.692 120.930 120.200 0.063 0.000 2.384 302 E HA 0.227 4.577 4.350 -0.000 0.000 0.266 302 E C -0.530 176.124 176.600 0.091 0.000 1.012 302 E CA 0.111 56.545 56.400 0.057 0.000 0.901 302 E CB 0.854 30.581 29.700 0.044 0.000 0.967 302 E HN 0.258 nan 8.360 nan 0.000 0.435 303 S N 1.773 117.510 115.700 0.062 0.000 2.548 303 S HA 0.120 4.590 4.470 -0.000 0.000 0.276 303 S C -1.122 173.502 174.600 0.041 0.000 1.129 303 S CA -0.716 57.530 58.200 0.076 0.000 0.931 303 S CB 1.387 64.616 63.200 0.050 0.000 1.068 303 S HN 0.452 nan 8.310 nan 0.000 0.480 304 E N 4.079 124.311 120.200 0.055 0.000 2.081 304 E HA 0.357 4.707 4.350 -0.000 0.000 0.281 304 E C -0.937 175.668 176.600 0.009 0.000 0.986 304 E CA -0.300 56.109 56.400 0.016 0.000 0.796 304 E CB 0.620 30.332 29.700 0.019 0.000 1.085 304 E HN 0.554 nan 8.360 nan 0.000 0.398 305 L N 3.856 125.066 121.223 -0.022 0.000 2.325 305 L HA 0.456 4.795 4.340 -0.000 0.000 0.279 305 L C 0.099 176.946 176.870 -0.039 0.000 1.054 305 L CA -0.511 54.311 54.840 -0.030 0.000 0.804 305 L CB 1.126 43.158 42.059 -0.044 0.000 1.200 305 L HN 0.370 nan 8.230 nan 0.000 0.436 306 D N 0.088 120.474 120.400 -0.023 0.000 2.732 306 D HA 0.069 4.709 4.640 -0.000 0.000 0.229 306 D C 0.156 176.457 176.300 0.002 0.000 1.152 306 D CA -0.488 53.513 54.000 0.001 0.000 0.854 306 D CB 2.434 43.255 40.800 0.036 0.000 1.590 306 D HN 0.439 nan 8.370 nan 0.000 0.468 307 Y N 2.386 122.652 120.300 -0.057 0.000 2.030 307 Y HA -0.333 4.217 4.550 -0.000 0.000 0.272 307 Y C 2.020 177.879 175.900 -0.069 0.000 1.185 307 Y CA 2.355 60.417 58.100 -0.063 0.000 1.120 307 Y CB 0.055 38.478 38.460 -0.062 0.000 0.955 307 Y HN 0.461 nan 8.280 nan 0.000 0.495 308 E N 0.376 120.384 120.200 -0.318 0.000 2.130 308 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 308 E C 1.830 178.244 176.600 -0.311 0.000 0.998 308 E CA 1.737 57.899 56.400 -0.397 0.000 0.806 308 E CB -0.308 29.363 29.700 -0.049 0.000 0.738 308 E HN 0.593 nan 8.360 nan 0.000 0.459 309 N N -0.526 118.068 118.700 -0.177 0.000 2.084 309 N HA -0.127 4.613 4.740 -0.000 0.000 0.190 309 N C 1.825 177.240 175.510 -0.159 0.000 1.030 309 N CA 1.375 54.354 53.050 -0.118 0.000 0.849 309 N CB -0.474 37.983 38.487 -0.050 0.000 1.012 309 N HN 0.088 nan 8.380 nan 0.000 0.423 310 V N 1.393 121.188 119.914 -0.198 0.000 2.548 310 V HA -0.075 4.045 4.120 -0.000 0.000 0.249 310 V C 2.391 178.335 176.094 -0.250 0.000 1.055 310 V CA 1.526 63.722 62.300 -0.174 0.000 1.065 310 V CB -0.884 30.866 31.823 -0.121 0.000 0.681 310 V HN 0.289 nan 8.190 nan 0.000 0.462 311 A N -0.177 122.370 122.820 -0.455 0.000 1.872 311 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 311 A C 2.048 179.416 177.584 -0.360 0.000 1.187 311 A CA 1.299 53.048 52.037 -0.478 0.000 0.614 311 A CB -0.339 18.154 19.000 -0.846 0.000 0.826 311 A HN 0.384 nan 8.150 nan 0.000 0.442 312 L N -0.810 120.230 121.223 -0.305 0.000 2.341 312 L HA 0.169 4.509 4.340 -0.000 0.000 0.214 312 L C 1.866 178.647 176.870 -0.148 0.000 1.115 312 L CA 1.023 55.733 54.840 -0.216 0.000 0.820 312 L CB -0.855 41.121 42.059 -0.139 0.000 0.944 312 L HN 0.369 nan 8.230 nan 0.000 0.452 313 L N -1.840 119.306 121.223 -0.130 0.000 2.616 313 L HA 0.185 4.525 4.340 -0.000 0.000 0.229 313 L C 1.689 178.526 176.870 -0.054 0.000 1.110 313 L CA 0.272 55.074 54.840 -0.063 0.000 0.884 313 L CB 0.360 42.398 42.059 -0.034 0.000 1.115 313 L HN 0.222 nan 8.230 nan 0.000 0.481 314 G N -0.478 108.253 108.800 -0.115 0.000 2.508 314 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.217 314 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.217 314 G C 1.406 176.155 174.900 -0.252 0.000 2.004 314 G CA 0.739 45.780 45.100 -0.099 0.000 0.750 314 G HN 0.196 nan 8.290 nan 0.000 0.730 315 S N 0.972 116.422 115.700 -0.417 0.000 2.402 315 S HA -0.219 4.251 4.470 -0.000 0.000 0.233 315 S C 1.985 176.091 174.600 -0.824 0.000 1.030 315 S CA 2.194 59.770 58.200 -1.041 0.000 1.003 315 S CB -0.554 62.236 63.200 -0.682 0.000 0.813 315 S HN 0.403 nan 8.310 nan 0.000 0.477 316 N N 1.004 119.414 118.700 -0.485 0.000 2.309 316 N HA 0.098 4.838 4.740 -0.000 0.000 0.182 316 N C 1.457 176.862 175.510 -0.176 0.000 1.018 316 N CA 1.159 53.975 53.050 -0.390 0.000 0.876 316 N CB -0.354 37.913 38.487 -0.367 0.000 0.972 316 N HN 0.534 nan 8.380 nan 0.000 0.434 317 L N -1.533 119.630 121.223 -0.100 0.000 2.567 317 L HA 0.311 4.650 4.340 -0.000 0.000 0.225 317 L C 1.101 178.097 176.870 0.211 0.000 1.119 317 L CA 0.396 55.320 54.840 0.141 0.000 0.871 317 L CB -0.126 41.978 42.059 0.075 0.000 1.036 317 L HN 0.328 nan 8.230 nan 0.000 0.459 318 G N 1.395 110.132 108.800 -0.104 0.000 2.137 318 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.237 318 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.237 318 G C 0.046 175.089 174.900 0.238 0.000 1.002 318 G CA -0.177 44.913 45.100 -0.017 0.000 0.702 318 G HN 0.285 nan 8.290 nan 0.000 0.515 319 I N 1.161 121.812 120.570 0.136 0.000 2.304 319 I HA 0.490 4.660 4.170 -0.000 0.000 0.291 319 I C 1.468 177.765 176.117 0.300 0.000 1.018 319 I CA 0.348 61.769 61.300 0.202 0.000 1.260 319 I CB 1.562 39.642 38.000 0.133 0.000 1.390 319 I HN 0.077 nan 8.210 nan 0.000 0.475 320 G N 5.945 114.935 108.800 0.317 0.000 3.284 320 G HA2 0.151 4.111 3.960 -0.000 0.000 0.236 320 G HA3 0.151 4.111 3.960 -0.000 0.000 0.236 320 G C 0.461 175.392 174.900 0.052 0.000 1.158 320 G CA -0.183 45.084 45.100 0.278 0.000 0.774 320 G HN 0.433 nan 8.290 nan 0.000 0.545 321 K N 0.223 120.610 120.400 -0.022 0.000 2.244 321 K HA 0.386 4.706 4.320 -0.000 0.000 0.260 321 K C 0.364 176.916 176.600 -0.081 0.000 0.951 321 K CA -0.798 55.438 56.287 -0.085 0.000 0.826 321 K CB 2.460 34.864 32.500 -0.158 0.000 1.108 321 K HN -0.027 nan 8.250 nan 0.000 0.433 322 L N 3.630 124.819 121.223 -0.056 0.000 2.156 322 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 322 L C 1.627 178.448 176.870 -0.081 0.000 1.095 322 L CA 1.826 56.636 54.840 -0.049 0.000 0.770 322 L CB -0.366 41.679 42.059 -0.024 0.000 0.914 322 L HN 0.736 nan 8.230 nan 0.000 0.439 323 N N -0.963 117.674 118.700 -0.105 0.000 2.309 323 N HA -0.210 4.530 4.740 -0.000 0.000 0.182 323 N C 1.536 176.934 175.510 -0.187 0.000 1.018 323 N CA 1.577 54.558 53.050 -0.114 0.000 0.876 323 N CB -0.508 37.917 38.487 -0.103 0.000 0.972 323 N HN 0.509 nan 8.380 nan 0.000 0.434 324 E N -0.157 119.850 120.200 -0.322 0.000 2.170 324 E HA 0.052 4.402 4.350 -0.000 0.000 0.191 324 E C 1.721 178.140 176.600 -0.303 0.000 0.981 324 E CA 0.382 56.387 56.400 -0.658 0.000 0.830 324 E CB 0.236 29.270 29.700 -1.110 0.000 0.775 324 E HN 0.129 nan 8.360 nan 0.000 0.470 325 V N 0.792 120.621 119.914 -0.142 0.000 2.427 325 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 325 V C 2.159 178.255 176.094 0.005 0.000 1.051 325 V CA 1.595 63.882 62.300 -0.021 0.000 1.048 325 V CB -0.295 31.512 31.823 -0.026 0.000 0.666 325 V HN 0.183 nan 8.190 nan 0.000 0.456 326 S N -0.011 115.676 115.700 -0.021 0.000 2.383 326 S HA -0.177 4.293 4.470 -0.000 0.000 0.229 326 S C 2.026 176.647 174.600 0.034 0.000 1.030 326 S CA 1.466 59.666 58.200 0.001 0.000 1.002 326 S CB -0.238 62.954 63.200 -0.013 0.000 0.829 326 S HN 0.394 nan 8.310 nan 0.000 0.467 327 V N 1.935 121.881 119.914 0.054 0.000 2.295 327 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 327 V C 2.117 178.285 176.094 0.124 0.000 1.049 327 V CA 1.518 63.887 62.300 0.116 0.000 1.024 327 V CB -0.610 31.357 31.823 0.240 0.000 0.648 327 V HN 0.445 nan 8.190 nan 0.000 0.447 328 L N 0.056 121.376 121.223 0.160 0.000 2.141 328 L HA -0.159 4.180 4.340 -0.000 0.000 0.209 328 L C 2.353 179.254 176.870 0.052 0.000 1.094 328 L CA 1.692 56.599 54.840 0.112 0.000 0.763 328 L CB -0.675 41.465 42.059 0.134 0.000 0.908 328 L HN 0.441 nan 8.230 nan 0.000 0.437 329 N N 0.649 119.377 118.700 0.046 0.000 2.058 329 N HA -0.238 4.502 4.740 -0.000 0.000 0.191 329 N C 2.007 177.535 175.510 0.030 0.000 1.037 329 N CA 1.378 54.447 53.050 0.031 0.000 0.848 329 N CB -0.061 38.443 38.487 0.027 0.000 1.021 329 N HN 0.093 nan 8.380 nan 0.000 0.422 330 R N 0.323 120.841 120.500 0.031 0.000 2.083 330 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 330 R C 2.139 178.374 176.300 -0.109 0.000 1.137 330 R CA 1.596 57.694 56.100 -0.002 0.000 0.951 330 R CB -0.467 29.841 30.300 0.013 0.000 0.851 330 R HN 0.334 nan 8.270 nan 0.000 0.434 331 I N 1.021 121.551 120.570 -0.068 0.000 2.194 331 I HA -0.306 3.864 4.170 -0.000 0.000 0.246 331 I C 2.643 178.697 176.117 -0.105 0.000 1.093 331 I CA 1.434 62.676 61.300 -0.095 0.000 1.355 331 I CB -0.464 37.512 38.000 -0.039 0.000 1.046 331 I HN 0.378 nan 8.210 nan 0.000 0.413 332 A N 0.554 123.346 122.820 -0.047 0.000 1.865 332 A HA -0.276 4.043 4.320 -0.000 0.000 0.217 332 A C 1.999 179.560 177.584 -0.038 0.000 1.191 332 A CA 2.310 54.334 52.037 -0.022 0.000 0.623 332 A CB -0.729 18.284 19.000 0.021 0.000 0.826 332 A HN 0.347 nan 8.150 nan 0.000 0.444 333 D N -0.241 120.145 120.400 -0.023 0.000 2.092 333 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 333 D C 2.093 178.313 176.300 -0.133 0.000 0.994 333 D CA 1.743 55.766 54.000 0.039 0.000 0.828 333 D CB -0.480 40.462 40.800 0.237 0.000 0.963 333 D HN 0.841 nan 8.370 nan 0.000 0.450 334 E N -0.327 119.554 120.200 -0.532 0.000 2.347 334 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 334 E C 1.536 177.952 176.600 -0.307 0.000 1.008 334 E CA 0.614 56.613 56.400 -0.668 0.000 0.852 334 E CB -0.071 29.083 29.700 -0.910 0.000 0.783 334 E HN 0.160 nan 8.360 nan 0.000 0.505 335 M N 0.210 119.667 119.600 -0.239 0.000 2.510 335 M HA 0.169 4.649 4.480 -0.000 0.000 0.256 335 M C 1.153 177.341 176.300 -0.186 0.000 1.132 335 M CA 0.990 56.146 55.300 -0.239 0.000 1.105 335 M CB 0.134 32.579 32.600 -0.259 0.000 1.375 335 M HN 0.354 nan 8.290 nan 0.000 0.477 336 G N 3.045 111.779 108.800 -0.110 0.000 2.303 336 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.260 336 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.260 336 G C -0.053 174.823 174.900 -0.040 0.000 1.106 336 G CA 0.456 45.523 45.100 -0.055 0.000 0.900 336 G HN 0.521 nan 8.290 nan 0.000 0.495 337 M N -1.094 118.501 119.600 -0.009 0.000 2.457 337 M HA 0.646 5.126 4.480 -0.000 0.000 0.300 337 M C -0.592 175.782 176.300 0.123 0.000 1.141 337 M CA -1.149 54.182 55.300 0.052 0.000 0.901 337 M CB 1.906 34.525 32.600 0.032 0.000 1.687 337 M HN 0.014 nan 8.290 nan 0.000 0.449 338 D N 2.927 123.441 120.400 0.190 0.000 2.502 338 D HA 0.014 4.653 4.640 -0.000 0.000 0.249 338 D C 1.308 177.669 176.300 0.101 0.000 1.188 338 D CA 0.906 54.995 54.000 0.149 0.000 0.890 338 D CB 1.295 42.193 40.800 0.162 0.000 1.140 338 D HN 0.792 nan 8.370 nan 0.000 0.505 339 T N 2.084 116.673 114.554 0.059 0.000 2.720 339 T HA -0.227 4.122 4.350 -0.000 0.000 0.268 339 T C 2.178 176.862 174.700 -0.026 0.000 1.037 339 T CA 1.111 63.222 62.100 0.019 0.000 1.144 339 T CB -0.418 68.456 68.868 0.008 0.000 0.864 339 T HN 0.523 nan 8.240 nan 0.000 0.444 340 I N 1.476 122.029 120.570 -0.028 0.000 2.076 340 I HA -0.186 3.984 4.170 -0.000 0.000 0.237 340 I C 3.025 179.069 176.117 -0.122 0.000 1.059 340 I CA 1.659 62.927 61.300 -0.053 0.000 1.317 340 I CB -0.551 37.435 38.000 -0.024 0.000 1.037 340 I HN 0.256 nan 8.210 nan 0.000 0.398 341 S N 0.649 116.223 115.700 -0.210 0.000 2.419 341 S HA -0.148 4.322 4.470 -0.000 0.000 0.233 341 S C 1.819 175.928 174.600 -0.817 0.000 1.016 341 S CA 1.126 59.021 58.200 -0.509 0.000 0.974 341 S CB -0.372 62.458 63.200 -0.618 0.000 0.786 341 S HN 0.329 nan 8.310 nan 0.000 0.492 342 L N 2.100 123.008 121.223 -0.526 0.000 2.027 342 L HA 0.098 4.438 4.340 -0.000 0.000 0.206 342 L C 2.230 179.029 176.870 -0.118 0.000 1.074 342 L CA 2.106 56.817 54.840 -0.216 0.000 0.745 342 L CB -1.291 40.823 42.059 0.092 0.000 0.898 342 L HN 0.254 nan 8.230 nan 0.000 0.433 343 G N -0.880 107.866 108.800 -0.089 0.000 2.422 343 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.218 343 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.218 343 G C 1.470 176.361 174.900 -0.015 0.000 1.146 343 G CA 1.038 46.111 45.100 -0.043 0.000 0.769 343 G HN 0.342 nan 8.290 nan 0.000 0.547 344 V N 1.101 120.997 119.914 -0.030 0.000 2.453 344 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 344 V C 3.043 179.171 176.094 0.057 0.000 1.048 344 V CA 2.067 64.403 62.300 0.060 0.000 1.049 344 V CB -0.251 31.610 31.823 0.064 0.000 0.672 344 V HN 0.352 nan 8.190 nan 0.000 0.457 345 S N -0.157 115.508 115.700 -0.059 0.000 2.402 345 S HA -0.001 4.469 4.470 -0.000 0.000 0.229 345 S C 1.864 176.517 174.600 0.089 0.000 1.021 345 S CA 1.209 59.404 58.200 -0.008 0.000 0.974 345 S CB -0.163 63.000 63.200 -0.061 0.000 0.800 345 S HN 0.481 nan 8.310 nan 0.000 0.484 346 I N 1.567 122.172 120.570 0.058 0.000 2.277 346 I HA -0.110 4.060 4.170 -0.000 0.000 0.243 346 I C 2.816 178.966 176.117 0.056 0.000 1.094 346 I CA 1.002 62.333 61.300 0.051 0.000 1.393 346 I CB -0.744 37.271 38.000 0.025 0.000 1.078 346 I HN 0.267 nan 8.210 nan 0.000 0.417 347 A N 0.356 123.242 122.820 0.110 0.000 1.917 347 A HA -0.332 3.988 4.320 -0.000 0.000 0.219 347 A C 2.159 179.877 177.584 0.223 0.000 1.182 347 A CA 2.275 54.434 52.037 0.203 0.000 0.633 347 A CB -1.180 17.997 19.000 0.296 0.000 0.819 347 A HN 0.537 nan 8.150 nan 0.000 0.448 348 H N -0.830 118.347 119.070 0.178 0.000 2.387 348 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 348 H C 1.859 177.315 175.328 0.213 0.000 1.099 348 H CA 1.934 58.138 56.048 0.261 0.000 1.315 348 H CB -0.061 29.802 29.762 0.168 0.000 1.380 348 H HN 0.161 nan 8.280 nan 0.000 0.513 349 V N 0.351 120.370 119.914 0.175 0.000 2.307 349 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 349 V C 2.445 178.489 176.094 -0.083 0.000 1.045 349 V CA 2.008 64.349 62.300 0.069 0.000 1.024 349 V CB -0.465 31.387 31.823 0.048 0.000 0.651 349 V HN 0.513 nan 8.190 nan 0.000 0.449 350 M N -0.298 119.161 119.600 -0.235 0.000 2.082 350 M HA -0.277 4.203 4.480 -0.000 0.000 0.258 350 M C 2.262 178.206 176.300 -0.593 0.000 1.069 350 M CA 2.486 57.437 55.300 -0.583 0.000 1.102 350 M CB -0.597 31.313 32.600 -1.150 0.000 1.336 350 M HN 0.440 nan 8.290 nan 0.000 0.404 351 E N 0.516 120.493 120.200 -0.370 0.000 2.150 351 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 351 E C 1.886 178.332 176.600 -0.258 0.000 0.985 351 E CA 1.204 57.505 56.400 -0.164 0.000 0.814 351 E CB 0.028 29.644 29.700 -0.140 0.000 0.752 351 E HN 0.462 nan 8.360 nan 0.000 0.466 352 A N 0.339 123.101 122.820 -0.097 0.000 1.930 352 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 352 A C 2.328 179.903 177.584 -0.015 0.000 1.175 352 A CA 1.219 53.282 52.037 0.043 0.000 0.627 352 A CB -0.409 18.678 19.000 0.145 0.000 0.815 352 A HN 0.218 nan 8.150 nan 0.000 0.443 353 V N 0.308 120.182 119.914 -0.066 0.000 2.270 353 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 353 V C 2.372 178.432 176.094 -0.058 0.000 1.043 353 V CA 2.040 64.304 62.300 -0.059 0.000 1.014 353 V CB -0.913 30.856 31.823 -0.090 0.000 0.645 353 V HN 0.594 nan 8.190 nan 0.000 0.447 354 E N 0.336 120.485 120.200 -0.085 0.000 2.130 354 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 354 E C 2.173 178.753 176.600 -0.033 0.000 0.998 354 E CA 1.131 57.506 56.400 -0.041 0.000 0.806 354 E CB -0.227 29.474 29.700 0.002 0.000 0.738 354 E HN 0.533 nan 8.360 nan 0.000 0.459 355 R N -0.452 120.011 120.500 -0.061 0.000 2.313 355 R HA 0.041 4.381 4.340 -0.000 0.000 0.199 355 R C 1.358 177.654 176.300 -0.007 0.000 0.958 355 R CA 0.643 56.715 56.100 -0.046 0.000 1.047 355 R CB 0.397 30.642 30.300 -0.092 0.000 0.955 355 R HN 0.301 nan 8.270 nan 0.000 0.481 356 G N 1.364 110.162 108.800 -0.004 0.000 2.184 356 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.264 356 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.264 356 G C 0.858 175.775 174.900 0.027 0.000 0.975 356 G CA 0.436 45.542 45.100 0.010 0.000 0.642 356 G HN 0.328 nan 8.290 nan 0.000 0.536 357 I N -0.001 120.596 120.570 0.045 0.000 2.252 357 I HA 0.108 4.278 4.170 -0.000 0.000 0.245 357 I C 1.601 177.751 176.117 0.055 0.000 1.102 357 I CA 1.061 62.402 61.300 0.069 0.000 1.385 357 I CB -0.041 38.034 38.000 0.126 0.000 1.064 357 I HN 0.188 nan 8.210 nan 0.000 0.414 358 L N 1.329 122.579 121.223 0.045 0.000 2.295 358 L HA 0.239 4.579 4.340 -0.000 0.000 0.285 358 L C 0.967 177.846 176.870 0.015 0.000 1.035 358 L CA -0.465 54.394 54.840 0.032 0.000 0.806 358 L CB 1.443 43.522 42.059 0.032 0.000 1.214 358 L HN 0.066 nan 8.230 nan 0.000 0.426 359 K N 1.839 122.247 120.400 0.013 0.000 2.365 359 K HA 0.152 4.472 4.320 -0.000 0.000 0.197 359 K C -0.094 176.506 176.600 -0.000 0.000 1.042 359 K CA 0.506 56.797 56.287 0.007 0.000 0.987 359 K CB 0.492 32.997 32.500 0.008 0.000 0.779 359 K HN 0.563 nan 8.250 nan 0.000 0.484 360 E N -0.152 120.047 120.200 -0.002 0.000 2.356 360 E HA 0.570 4.920 4.350 -0.000 0.000 0.275 360 E C -0.308 176.283 176.600 -0.014 0.000 0.904 360 E CA -0.695 55.700 56.400 -0.009 0.000 0.757 360 E CB 2.553 32.249 29.700 -0.005 0.000 1.232 360 E HN 0.148 nan 8.360 nan 0.000 0.442 361 G N 1.791 110.576 108.800 -0.026 0.000 2.359 361 G HA2 0.098 4.058 3.960 -0.000 0.000 0.314 361 G HA3 0.098 4.058 3.960 -0.000 0.000 0.314 361 G C -3.085 171.780 174.900 -0.058 0.000 1.364 361 G CA -0.956 44.122 45.100 -0.037 0.000 0.978 361 G HN 0.346 nan 8.290 nan 0.000 0.615 362 P HA 0.593 nan 4.420 nan 0.000 0.277 362 P C 0.051 177.258 177.300 -0.155 0.000 1.271 362 P CA 0.011 63.054 63.100 -0.094 0.000 0.795 362 P CB 1.166 32.812 31.700 -0.090 0.000 1.101 363 T N -3.497 110.963 114.554 -0.156 0.000 2.864 363 T HA 0.567 4.917 4.350 -0.000 0.000 0.289 363 T C -0.089 174.480 174.700 -0.218 0.000 1.082 363 T CA -0.663 61.292 62.100 -0.241 0.000 1.009 363 T CB 0.220 69.031 68.868 -0.095 0.000 1.234 363 T HN 0.059 nan 8.240 nan 0.000 0.526 364 F N 1.485 121.447 119.950 0.020 0.000 2.578 364 F HA 0.432 4.958 4.527 -0.000 0.000 0.376 364 F C 1.853 177.694 175.800 0.067 0.000 1.085 364 F CA 1.300 59.319 58.000 0.032 0.000 1.260 364 F CB -0.179 38.836 39.000 0.025 0.000 1.095 364 F HN 1.114 nan 8.300 nan 0.000 0.573 365 G N 1.920 110.874 108.800 0.257 0.000 2.258 365 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.233 365 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.233 365 G C 0.240 175.235 174.900 0.158 0.000 1.006 365 G CA -0.024 45.202 45.100 0.209 0.000 0.620 365 G HN 0.670 nan 8.290 nan 0.000 0.511 366 D N 0.807 121.273 120.400 0.111 0.000 2.489 366 D HA 0.324 4.964 4.640 -0.000 0.000 0.237 366 D C 1.289 177.645 176.300 0.093 0.000 1.212 366 D CA -0.575 53.471 54.000 0.076 0.000 1.058 366 D CB -0.583 40.223 40.800 0.009 0.000 1.098 366 D HN 0.181 nan 8.370 nan 0.000 0.509 367 F N 3.813 123.770 119.950 0.012 0.000 2.069 367 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 367 F C 1.807 177.606 175.800 -0.001 0.000 1.113 367 F CA 1.516 59.520 58.000 0.007 0.000 1.214 367 F CB -0.029 38.975 39.000 0.006 0.000 0.978 367 F HN 0.159 nan 8.300 nan 0.000 0.474 368 K N 0.083 120.260 120.400 -0.372 0.000 2.074 368 K HA -0.125 4.195 4.320 -0.000 0.000 0.209 368 K C 2.382 178.793 176.600 -0.316 0.000 1.048 368 K CA 1.535 57.549 56.287 -0.456 0.000 0.926 368 K CB -1.047 31.353 32.500 -0.166 0.000 0.713 368 K HN 0.485 nan 8.250 nan 0.000 0.444 369 G N 0.136 108.829 108.800 -0.177 0.000 2.421 369 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 369 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 369 G C 1.517 176.342 174.900 -0.125 0.000 1.143 369 G CA 0.776 45.801 45.100 -0.124 0.000 0.784 369 G HN 0.360 nan 8.290 nan 0.000 0.541 370 A N 0.695 123.434 122.820 -0.134 0.000 1.929 370 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 370 A C 2.164 179.674 177.584 -0.123 0.000 1.176 370 A CA 1.913 53.896 52.037 -0.090 0.000 0.628 370 A CB -0.335 18.651 19.000 -0.023 0.000 0.816 370 A HN 0.380 nan 8.150 nan 0.000 0.444 371 K N -0.725 119.516 120.400 -0.264 0.000 2.057 371 K HA -0.250 4.070 4.320 -0.000 0.000 0.207 371 K C 2.237 178.748 176.600 -0.150 0.000 1.049 371 K CA 1.822 57.958 56.287 -0.251 0.000 0.931 371 K CB -0.158 32.038 32.500 -0.507 0.000 0.714 371 K HN 0.357 nan 8.250 nan 0.000 0.440 372 Q N 0.914 120.621 119.800 -0.155 0.000 2.084 372 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 372 Q C 1.939 177.912 176.000 -0.045 0.000 0.978 372 Q CA 1.412 57.162 55.803 -0.088 0.000 0.844 372 Q CB -0.303 28.382 28.738 -0.088 0.000 0.898 372 Q HN 0.390 nan 8.270 nan 0.000 0.426 373 L N -0.152 121.043 121.223 -0.046 0.000 2.141 373 L HA 0.043 4.383 4.340 -0.000 0.000 0.209 373 L C 1.966 178.838 176.870 0.004 0.000 1.094 373 L CA 1.923 56.754 54.840 -0.014 0.000 0.763 373 L CB -0.852 41.198 42.059 -0.015 0.000 0.908 373 L HN 0.220 nan 8.230 nan 0.000 0.437 374 A N -0.532 122.284 122.820 -0.006 0.000 1.902 374 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 374 A C 2.227 179.812 177.584 0.001 0.000 1.181 374 A CA 1.930 53.971 52.037 0.007 0.000 0.623 374 A CB -0.802 18.198 19.000 -0.001 0.000 0.818 374 A HN 0.480 nan 8.150 nan 0.000 0.443 375 L N -0.778 120.454 121.223 0.015 0.000 2.156 375 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 375 L C 1.776 178.731 176.870 0.142 0.000 1.095 375 L CA 1.065 55.955 54.840 0.082 0.000 0.770 375 L CB -0.464 41.655 42.059 0.100 0.000 0.914 375 L HN 0.250 nan 8.230 nan 0.000 0.439 376 D N 0.051 120.496 120.400 0.076 0.000 2.224 376 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 376 D C 2.231 178.560 176.300 0.049 0.000 0.965 376 D CA 0.998 55.042 54.000 0.074 0.000 0.852 376 D CB 0.139 40.958 40.800 0.033 0.000 0.947 376 D HN 0.276 nan 8.370 nan 0.000 0.494 377 I N 0.665 121.245 120.570 0.016 0.000 2.193 377 I HA -0.182 3.988 4.170 -0.000 0.000 0.240 377 I C 2.377 178.436 176.117 -0.097 0.000 1.084 377 I CA 0.801 62.090 61.300 -0.019 0.000 1.365 377 I CB -0.176 37.835 38.000 0.018 0.000 1.064 377 I HN -0.078 nan 8.210 nan 0.000 0.410 378 A N 0.121 122.845 122.820 -0.160 0.000 1.978 378 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 378 A C 1.792 179.117 177.584 -0.432 0.000 1.170 378 A CA 1.791 53.618 52.037 -0.349 0.000 0.636 378 A CB -0.804 17.898 19.000 -0.497 0.000 0.810 378 A HN 0.528 nan 8.150 nan 0.000 0.448 379 Y N -1.851 118.409 120.300 -0.066 0.000 2.458 379 Y HA 0.310 4.860 4.550 -0.000 0.000 0.256 379 Y C 0.605 176.479 175.900 -0.043 0.000 1.159 379 Y CA -0.220 57.846 58.100 -0.056 0.000 1.261 379 Y CB 0.141 38.572 38.460 -0.048 0.000 1.119 379 Y HN 0.249 nan 8.280 nan 0.000 0.524 380 R N 1.210 121.742 120.500 0.053 0.000 3.205 380 R HA -0.209 4.131 4.340 -0.000 0.000 0.249 380 R C -0.790 175.541 176.300 0.050 0.000 0.937 380 R CA 0.499 56.616 56.100 0.029 0.000 0.641 380 R CB -1.452 28.853 30.300 0.009 0.000 1.114 380 R HN 0.307 nan 8.270 nan 0.000 0.451 381 K N 1.275 121.711 120.400 0.060 0.000 2.268 381 K HA 0.395 4.715 4.320 -0.000 0.000 0.276 381 K C 0.668 177.281 176.600 0.022 0.000 1.080 381 K CA 0.556 56.867 56.287 0.041 0.000 0.910 381 K CB 1.655 34.181 32.500 0.042 0.000 1.163 381 K HN 0.544 nan 8.250 nan 0.000 0.465 382 G N 2.328 111.137 108.800 0.015 0.000 2.730 382 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.686 382 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.686 382 G C 0.431 175.338 174.900 0.012 0.000 1.343 382 G CA -0.617 44.489 45.100 0.010 0.000 0.826 382 G HN 0.701 nan 8.290 nan 0.000 0.582 383 E N -0.658 119.548 120.200 0.010 0.000 2.085 383 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 383 E C 2.656 179.266 176.600 0.017 0.000 0.994 383 E CA 1.661 58.068 56.400 0.012 0.000 0.801 383 E CB -0.049 29.658 29.700 0.012 0.000 0.743 383 E HN 0.448 nan 8.360 nan 0.000 0.453 384 L N 0.053 121.287 121.223 0.017 0.000 1.988 384 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 384 L C 2.279 179.165 176.870 0.027 0.000 1.071 384 L CA 2.295 57.149 54.840 0.023 0.000 0.744 384 L CB -1.104 40.965 42.059 0.017 0.000 0.893 384 L HN 0.160 nan 8.230 nan 0.000 0.433 385 G N -0.790 108.023 108.800 0.023 0.000 2.475 385 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.220 385 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.220 385 G C 1.553 176.463 174.900 0.017 0.000 1.125 385 G CA 0.924 46.038 45.100 0.024 0.000 0.755 385 G HN 0.472 nan 8.290 nan 0.000 0.565 386 N N -0.198 118.510 118.700 0.014 0.000 2.171 386 N HA -0.037 4.703 4.740 -0.000 0.000 0.184 386 N C 2.133 177.648 175.510 0.008 0.000 1.021 386 N CA 0.871 53.924 53.050 0.004 0.000 0.854 386 N CB -0.058 38.433 38.487 0.006 0.000 0.994 386 N HN 0.274 nan 8.380 nan 0.000 0.426 387 L N 1.510 122.746 121.223 0.021 0.000 2.027 387 L HA 0.025 4.365 4.340 -0.000 0.000 0.206 387 L C 2.229 179.126 176.870 0.044 0.000 1.074 387 L CA 1.520 56.376 54.840 0.027 0.000 0.745 387 L CB -0.867 41.213 42.059 0.034 0.000 0.898 387 L HN 0.043 nan 8.230 nan 0.000 0.433 388 A N -0.465 122.393 122.820 0.064 0.000 2.024 388 A HA -0.099 4.220 4.320 -0.000 0.000 0.220 388 A C 2.301 179.987 177.584 0.170 0.000 1.164 388 A CA 1.507 53.611 52.037 0.111 0.000 0.643 388 A CB -1.081 17.984 19.000 0.109 0.000 0.806 388 A HN 0.548 nan 8.150 nan 0.000 0.451 389 A N -0.676 122.179 122.820 0.060 0.000 2.239 389 A HA 0.016 4.336 4.320 -0.000 0.000 0.209 389 A C 1.567 179.109 177.584 -0.071 0.000 1.171 389 A CA 1.152 53.141 52.037 -0.080 0.000 0.768 389 A CB -0.188 18.737 19.000 -0.125 0.000 0.790 389 A HN 0.439 nan 8.150 nan 0.000 0.478 390 E N -0.642 119.585 120.200 0.046 0.000 2.452 390 E HA 0.301 4.650 4.350 -0.000 0.000 0.197 390 E C 0.991 177.655 176.600 0.108 0.000 1.022 390 E CA 0.736 57.160 56.400 0.039 0.000 0.890 390 E CB -0.052 29.654 29.700 0.010 0.000 0.918 390 E HN 0.718 nan 8.360 nan 0.000 0.496 391 G N 0.754 109.689 108.800 0.226 0.000 2.690 391 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.686 391 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.686 391 G C 0.811 175.676 174.900 -0.059 0.000 1.277 391 G CA -0.269 44.910 45.100 0.132 0.000 0.799 391 G HN 0.196 nan 8.290 nan 0.000 0.613 392 V N -0.723 119.090 119.914 -0.169 0.000 2.490 392 V HA -0.056 4.064 4.120 -0.000 0.000 0.250 392 V C 2.649 178.536 176.094 -0.345 0.000 1.061 392 V CA 2.810 64.901 62.300 -0.349 0.000 1.064 392 V CB -0.664 30.946 31.823 -0.355 0.000 0.670 392 V HN 1.033 nan 8.190 nan 0.000 0.461 393 K N 1.297 121.474 120.400 -0.372 0.000 2.057 393 K HA -0.043 4.277 4.320 -0.000 0.000 0.206 393 K C 2.181 178.665 176.600 -0.194 0.000 1.050 393 K CA 1.695 57.717 56.287 -0.442 0.000 0.935 393 K CB -0.490 31.538 32.500 -0.787 0.000 0.715 393 K HN 0.533 nan 8.250 nan 0.000 0.439 394 A N 1.346 124.078 122.820 -0.146 0.000 1.898 394 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 394 A C 2.168 179.715 177.584 -0.060 0.000 1.183 394 A CA 1.373 53.365 52.037 -0.075 0.000 0.622 394 A CB -0.530 18.443 19.000 -0.046 0.000 0.824 394 A HN 0.546 nan 8.150 nan 0.000 0.444 395 M N 0.015 119.568 119.600 -0.077 0.000 2.080 395 M HA -0.147 4.333 4.480 -0.000 0.000 0.260 395 M C 2.199 178.475 176.300 -0.039 0.000 1.068 395 M CA 1.944 57.215 55.300 -0.048 0.000 1.109 395 M CB -0.242 32.321 32.600 -0.062 0.000 1.342 395 M HN 0.376 nan 8.290 nan 0.000 0.405 396 A N -0.024 122.731 122.820 -0.109 0.000 1.902 396 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 396 A C 1.862 179.446 177.584 0.001 0.000 1.181 396 A CA 2.140 54.152 52.037 -0.043 0.000 0.623 396 A CB -0.927 18.027 19.000 -0.077 0.000 0.818 396 A HN 0.694 nan 8.150 nan 0.000 0.443 397 E N -0.687 119.506 120.200 -0.012 0.000 2.118 397 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 397 E C 2.073 178.674 176.600 0.001 0.000 0.992 397 E CA 1.720 58.117 56.400 -0.005 0.000 0.804 397 E CB -0.047 29.642 29.700 -0.018 0.000 0.741 397 E HN 0.558 nan 8.360 nan 0.000 0.458 398 K N 0.542 120.943 120.400 0.002 0.000 2.007 398 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 398 K C 1.682 178.297 176.600 0.024 0.000 1.047 398 K CA 1.139 57.432 56.287 0.011 0.000 0.937 398 K CB -0.082 32.425 32.500 0.012 0.000 0.718 398 K HN 0.082 nan 8.250 nan 0.000 0.438 399 L N -0.636 120.609 121.223 0.037 0.000 2.492 399 L HA 0.221 4.561 4.340 -0.000 0.000 0.223 399 L C 1.029 177.925 176.870 0.042 0.000 1.132 399 L CA 0.396 55.266 54.840 0.050 0.000 0.850 399 L CB -0.322 41.785 42.059 0.080 0.000 0.966 399 L HN 0.561 nan 8.230 nan 0.000 0.454 400 G N 0.957 109.776 108.800 0.031 0.000 2.176 400 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.252 400 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.252 400 G C 0.563 175.475 174.900 0.020 0.000 1.024 400 G CA 0.548 45.668 45.100 0.032 0.000 0.755 400 G HN 0.416 nan 8.290 nan 0.000 0.507 401 T N -3.043 111.486 114.554 -0.042 0.000 3.260 401 T HA 0.365 4.715 4.350 -0.000 0.000 0.254 401 T C 1.268 175.797 174.700 -0.286 0.000 0.951 401 T CA 0.609 62.542 62.100 -0.277 0.000 0.918 401 T CB 0.254 68.763 68.868 -0.600 0.000 1.098 401 T HN 0.513 nan 8.240 nan 0.000 0.563 402 H N 1.843 120.833 119.070 -0.134 0.000 2.460 402 H HA -0.102 4.454 4.556 -0.000 0.000 0.297 402 H C 1.455 176.740 175.328 -0.071 0.000 1.103 402 H CA 1.734 57.736 56.048 -0.077 0.000 1.292 402 H CB -0.205 29.542 29.762 -0.024 0.000 1.376 402 H HN 0.304 nan 8.280 nan 0.000 0.531 403 D N -0.191 120.120 120.400 -0.149 0.000 2.182 403 D HA -0.161 4.478 4.640 -0.000 0.000 0.201 403 D C 0.673 176.992 176.300 0.031 0.000 0.986 403 D CA 1.322 55.291 54.000 -0.051 0.000 0.847 403 D CB -0.216 40.683 40.800 0.165 0.000 0.942 403 D HN 0.647 nan 8.370 nan 0.000 0.467 404 F N -1.514 118.428 119.950 -0.013 0.000 2.881 404 F HA 0.638 5.165 4.527 -0.000 0.000 0.343 404 F C -0.040 175.865 175.800 0.173 0.000 1.233 404 F CA -1.425 56.588 58.000 0.022 0.000 1.262 404 F CB -0.343 38.667 39.000 0.017 0.000 0.980 404 F HN -0.234 nan 8.300 nan 0.000 0.506 405 A N 2.186 124.992 122.820 -0.023 0.000 2.366 405 A HA 0.582 4.902 4.320 -0.000 0.000 0.322 405 A C 0.194 177.698 177.584 -0.134 0.000 1.397 405 A CA -0.481 51.544 52.037 -0.020 0.000 0.984 405 A CB -0.023 18.955 19.000 -0.036 0.000 1.149 405 A HN 0.329 nan 8.150 nan 0.000 0.540 406 M N 4.449 123.979 119.600 -0.116 0.000 3.237 406 M HA 0.213 4.693 4.480 -0.000 0.000 0.266 406 M C -0.092 176.023 176.300 -0.310 0.000 1.456 406 M CA 0.313 55.382 55.300 -0.386 0.000 1.593 406 M CB -1.764 30.552 32.600 -0.473 0.000 1.129 406 M HN 0.867 nan 8.290 nan 0.000 0.547 407 H N -0.956 117.916 119.070 -0.330 0.000 3.008 407 H HA 0.858 5.414 4.556 -0.000 0.000 0.354 407 H C -1.718 173.509 175.328 -0.167 0.000 1.252 407 H CA -1.154 54.766 56.048 -0.213 0.000 1.117 407 H CB 1.432 31.126 29.762 -0.113 0.000 1.857 407 H HN 0.038 nan 8.280 nan 0.000 0.547 408 V N 2.062 121.967 119.914 -0.015 0.000 2.567 408 V HA 0.288 4.408 4.120 -0.000 0.000 0.298 408 V C -0.109 176.105 176.094 0.200 0.000 1.047 408 V CA -0.957 61.345 62.300 0.003 0.000 0.880 408 V CB 1.195 33.035 31.823 0.030 0.000 1.009 408 V HN 0.998 nan 8.190 nan 0.000 0.429 409 K N 3.337 123.869 120.400 0.220 0.000 3.341 409 K HA -0.238 4.082 4.320 -0.000 0.000 0.305 409 K C 1.122 177.947 176.600 0.375 0.000 1.270 409 K CA 0.908 57.327 56.287 0.219 0.000 0.897 409 K CB -1.350 31.150 32.500 -0.001 0.000 1.264 409 K HN 1.635 nan 8.250 nan 0.000 0.468 410 G N -0.242 108.783 108.800 0.375 0.000 2.234 410 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.235 410 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.235 410 G C -0.181 174.777 174.900 0.095 0.000 0.997 410 G CA 0.144 45.283 45.100 0.066 0.000 0.623 410 G HN 0.198 nan 8.290 nan 0.000 0.514 411 L N 1.907 123.266 121.223 0.226 0.000 2.292 411 L HA 0.805 5.145 4.340 -0.000 0.000 0.284 411 L C 0.217 177.170 176.870 0.139 0.000 1.065 411 L CA -1.061 53.891 54.840 0.186 0.000 0.806 411 L CB 1.032 43.242 42.059 0.251 0.000 1.175 411 L HN 0.204 nan 8.230 nan 0.000 0.431 412 E N 2.655 122.889 120.200 0.057 0.000 2.392 412 E HA 0.206 4.556 4.350 -0.000 0.000 0.264 412 E C -0.491 176.083 176.600 -0.044 0.000 1.024 412 E CA -0.100 56.296 56.400 -0.007 0.000 0.903 412 E CB 0.706 30.368 29.700 -0.063 0.000 0.963 412 E HN 0.432 nan 8.360 nan 0.000 0.432 413 V N 2.980 122.779 119.914 -0.192 0.000 2.763 413 V HA -0.031 4.089 4.120 -0.000 0.000 0.306 413 V C 0.833 176.895 176.094 -0.054 0.000 1.059 413 V CA 0.169 62.248 62.300 -0.368 0.000 1.138 413 V CB 1.222 32.517 31.823 -0.879 0.000 0.940 413 V HN 0.663 nan 8.190 nan 0.000 0.489 414 S N 2.929 118.681 115.700 0.086 0.000 2.625 414 S HA 0.252 4.722 4.470 -0.000 0.000 0.258 414 S C 1.297 176.123 174.600 0.377 0.000 1.256 414 S CA 0.159 58.570 58.200 0.352 0.000 0.983 414 S CB 0.590 64.243 63.200 0.755 0.000 1.032 414 S HN 1.081 nan 8.310 nan 0.000 0.572 415 G N 0.070 108.953 108.800 0.139 0.000 3.340 415 G HA2 0.207 4.167 3.960 -0.000 0.000 0.240 415 G HA3 0.207 4.167 3.960 -0.000 0.000 0.240 415 G C -0.875 173.923 174.900 -0.169 0.000 1.327 415 G CA 0.335 45.386 45.100 -0.083 0.000 1.170 415 G HN 0.463 nan 8.290 nan 0.000 0.520 416 Y N -0.208 120.419 120.300 0.546 0.000 2.327 416 Y HA 0.324 4.874 4.550 -0.000 0.000 0.325 416 Y C -0.121 176.063 175.900 0.474 0.000 0.999 416 Y CA -1.735 56.647 58.100 0.470 0.000 1.195 416 Y CB 1.216 39.953 38.460 0.461 0.000 1.132 416 Y HN -0.042 nan 8.280 nan 0.000 0.455 417 N N 2.152 121.133 118.700 0.469 0.000 2.430 417 N HA 0.166 4.906 4.740 -0.000 0.000 0.265 417 N C -0.756 174.715 175.510 -0.065 0.000 1.100 417 N CA -0.057 53.210 53.050 0.362 0.000 0.961 417 N CB 0.849 39.589 38.487 0.421 0.000 1.075 417 N HN 0.674 nan 8.380 nan 0.000 0.478 418 C N 4.426 123.162 119.300 -0.941 0.000 2.469 418 C HA 0.228 4.688 4.460 -0.000 0.000 0.298 418 C C 1.470 175.833 174.990 -1.044 0.000 1.436 418 C CA -0.678 57.784 59.018 -0.928 0.000 1.783 418 C CB -2.154 24.961 27.740 -1.041 0.000 2.726 418 C HN 0.731 nan 8.230 nan 0.000 0.541 419 Y N 1.784 121.664 120.300 -0.700 0.000 2.207 419 Y HA -0.130 4.419 4.550 -0.000 0.000 0.287 419 Y C 2.049 177.744 175.900 -0.342 0.000 1.156 419 Y CA 1.870 59.732 58.100 -0.396 0.000 1.182 419 Y CB -0.066 38.318 38.460 -0.126 0.000 0.979 419 Y HN 0.524 nan 8.280 nan 0.000 0.521 420 I N -4.286 116.107 120.570 -0.295 0.000 3.856 420 I HA 0.232 4.402 4.170 -0.000 0.000 0.330 420 I C -1.223 174.434 176.117 -0.767 0.000 1.546 420 I CA -0.251 60.757 61.300 -0.486 0.000 1.132 420 I CB -0.054 37.615 38.000 -0.553 0.000 1.157 420 I HN -0.178 nan 8.210 nan 0.000 0.440 421 Y N 1.545 121.699 120.300 -0.244 0.000 2.805 421 Y HA 0.478 5.028 4.550 -0.000 0.000 0.339 421 Y C -2.016 173.756 175.900 -0.213 0.000 1.012 421 Y CA -2.379 55.599 58.100 -0.203 0.000 1.262 421 Y CB 0.869 39.191 38.460 -0.231 0.000 1.100 421 Y HN -0.013 nan 8.280 nan 0.000 0.559 422 P HA -0.215 nan 4.420 nan 0.000 0.218 422 P C 1.337 178.648 177.300 0.018 0.000 1.148 422 P CA 1.936 64.940 63.100 -0.160 0.000 0.822 422 P CB 0.486 31.826 31.700 -0.599 0.000 0.784 423 A N -0.900 121.947 122.820 0.044 0.000 1.840 423 A HA -0.161 4.158 4.320 -0.000 0.000 0.214 423 A C 2.256 179.868 177.584 0.047 0.000 1.198 423 A CA 1.913 53.997 52.037 0.079 0.000 0.608 423 A CB -1.513 17.591 19.000 0.174 0.000 0.839 423 A HN 0.073 nan 8.150 nan 0.000 0.443 424 M N 0.369 119.984 119.600 0.023 0.000 2.106 424 M HA -0.123 4.357 4.480 -0.000 0.000 0.259 424 M C 2.135 178.482 176.300 0.077 0.000 1.068 424 M CA 1.728 57.006 55.300 -0.036 0.000 1.100 424 M CB -0.588 31.964 32.600 -0.079 0.000 1.351 424 M HN 0.419 nan 8.290 nan 0.000 0.404 425 A N -0.503 122.392 122.820 0.126 0.000 1.908 425 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 425 A C 2.139 179.934 177.584 0.352 0.000 1.181 425 A CA 1.867 54.061 52.037 0.262 0.000 0.627 425 A CB -1.156 17.892 19.000 0.081 0.000 0.818 425 A HN 0.561 nan 8.150 nan 0.000 0.445 426 L N -0.467 120.939 121.223 0.306 0.000 2.131 426 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 426 L C 2.655 179.559 176.870 0.057 0.000 1.092 426 L CA 1.907 56.871 54.840 0.207 0.000 0.759 426 L CB -0.534 41.524 42.059 -0.001 0.000 0.903 426 L HN 0.350 nan 8.230 nan 0.000 0.435 427 A N -1.208 121.634 122.820 0.036 0.000 1.877 427 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 427 A C 2.090 179.716 177.584 0.069 0.000 1.186 427 A CA 1.936 53.964 52.037 -0.016 0.000 0.620 427 A CB -1.042 17.893 19.000 -0.109 0.000 0.822 427 A HN 0.517 nan 8.150 nan 0.000 0.443 428 Y N 0.050 120.471 120.300 0.202 0.000 2.242 428 Y HA -0.001 4.549 4.550 -0.000 0.000 0.291 428 Y C 2.776 178.778 175.900 0.170 0.000 1.137 428 Y CA 0.709 58.943 58.100 0.224 0.000 1.181 428 Y CB -0.982 37.641 38.460 0.272 0.000 0.989 428 Y HN 0.316 nan 8.280 nan 0.000 0.527 429 G N -1.349 107.647 108.800 0.328 0.000 2.443 429 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 429 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 429 G C 1.526 176.531 174.900 0.174 0.000 1.131 429 G CA 1.634 46.883 45.100 0.249 0.000 0.775 429 G HN 0.463 nan 8.290 nan 0.000 0.547 430 T N -3.083 111.535 114.554 0.107 0.000 3.044 430 T HA 0.346 4.696 4.350 -0.000 0.000 0.260 430 T C 1.100 175.925 174.700 0.209 0.000 1.019 430 T CA 0.303 62.455 62.100 0.086 0.000 0.921 430 T CB 0.204 68.891 68.868 -0.301 0.000 1.053 430 T HN 0.019 nan 8.240 nan 0.000 0.533 431 S N 1.297 117.131 115.700 0.223 0.000 2.702 431 S HA 0.346 4.816 4.470 -0.000 0.000 0.314 431 S C 1.757 176.513 174.600 0.261 0.000 1.244 431 S CA 0.237 58.603 58.200 0.276 0.000 1.058 431 S CB 0.071 63.460 63.200 0.315 0.000 0.783 431 S HN 0.655 nan 8.310 nan 0.000 0.503 432 A N 5.010 127.989 122.820 0.266 0.000 1.892 432 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 432 A C 1.736 179.578 177.584 0.429 0.000 1.188 432 A CA 2.033 54.199 52.037 0.216 0.000 0.631 432 A CB -0.770 18.190 19.000 -0.067 0.000 0.822 432 A HN 1.046 nan 8.150 nan 0.000 0.447 433 I N -4.057 116.793 120.570 0.467 0.000 3.735 433 I HA 0.522 4.692 4.170 -0.000 0.000 0.310 433 I C 0.845 177.311 176.117 0.580 0.000 1.270 433 I CA 0.342 62.015 61.300 0.622 0.000 1.207 433 I CB -0.560 37.698 38.000 0.431 0.000 1.013 433 I HN 0.537 nan 8.210 nan 0.000 0.452 434 G N 1.040 110.072 108.800 0.385 0.000 2.541 434 G HA2 0.178 4.138 3.960 -0.000 0.000 0.686 434 G HA3 0.178 4.138 3.960 -0.000 0.000 0.686 434 G C -0.221 174.880 174.900 0.334 0.000 1.286 434 G CA -0.655 44.629 45.100 0.306 0.000 0.894 434 G HN 0.837 nan 8.290 nan 0.000 0.575 435 A N 0.981 123.980 122.820 0.298 0.000 2.572 435 A HA 0.475 4.795 4.320 -0.000 0.000 0.256 435 A C 0.546 178.428 177.584 0.498 0.000 1.041 435 A CA 1.923 54.187 52.037 0.379 0.000 0.790 435 A CB -0.310 18.784 19.000 0.156 0.000 0.947 435 A HN 2.068 nan 8.150 nan 0.000 0.518 436 H N 1.116 120.543 119.070 0.594 0.000 2.969 436 H HA 0.231 4.787 4.556 -0.000 0.000 0.304 436 H C 0.007 175.571 175.328 0.394 0.000 1.400 436 H CA -0.109 56.240 56.048 0.502 0.000 1.182 436 H CB 0.971 30.892 29.762 0.265 0.000 1.865 436 H HN 0.829 nan 8.280 nan 0.000 0.512 437 H N 1.100 120.601 119.070 0.719 0.000 2.755 437 H HA 0.172 4.728 4.556 -0.000 0.000 0.273 437 H C 1.456 176.950 175.328 0.276 0.000 1.055 437 H CA 0.089 56.328 56.048 0.319 0.000 1.191 437 H CB 0.716 30.748 29.762 0.449 0.000 1.536 437 H HN 0.439 nan 8.280 nan 0.000 0.529 438 K N 2.085 122.303 120.400 -0.304 0.000 2.015 438 K HA -0.217 4.103 4.320 -0.000 0.000 0.216 438 K C 1.361 177.912 176.600 -0.082 0.000 1.052 438 K CA 2.325 58.363 56.287 -0.414 0.000 0.937 438 K CB 0.050 32.056 32.500 -0.822 0.000 0.719 438 K HN 0.420 nan 8.250 nan 0.000 0.446 439 E N -0.485 119.722 120.200 0.012 0.000 2.208 439 E HA -0.041 4.308 4.350 -0.000 0.000 0.193 439 E C 0.078 176.764 176.600 0.143 0.000 0.988 439 E CA 0.697 57.184 56.400 0.144 0.000 0.828 439 E CB 0.199 30.054 29.700 0.258 0.000 0.763 439 E HN 0.378 nan 8.360 nan 0.000 0.478 440 A N 0.963 123.852 122.820 0.115 0.000 2.872 440 A HA 0.215 4.535 4.320 -0.000 0.000 0.305 440 A C -1.801 175.837 177.584 0.091 0.000 1.171 440 A CA -0.591 51.495 52.037 0.082 0.000 0.782 440 A CB -0.255 18.761 19.000 0.027 0.000 1.329 440 A HN 0.324 nan 8.150 nan 0.000 0.432 441 W N 4.186 125.439 121.300 -0.079 0.000 1.738 441 W HA 0.415 5.075 4.660 -0.000 0.000 0.399 441 W C 0.401 176.824 176.519 -0.161 0.000 0.744 441 W CA -0.332 56.926 57.345 -0.144 0.000 1.695 441 W CB 0.926 30.324 29.460 -0.103 0.000 1.820 441 W HN 0.437 nan 8.180 nan 0.000 0.262 442 V N 5.911 125.668 119.914 -0.263 0.000 3.129 442 V HA -0.145 3.975 4.120 -0.000 0.000 0.259 442 V C 1.906 177.831 176.094 -0.282 0.000 1.116 442 V CA 1.686 63.837 62.300 -0.248 0.000 1.127 442 V CB -0.335 31.408 31.823 -0.133 0.000 0.742 442 V HN 0.546 nan 8.190 nan 0.000 0.474 443 I N 0.738 121.008 120.570 -0.500 0.000 2.300 443 I HA -0.274 3.896 4.170 -0.000 0.000 0.252 443 I C 2.370 178.260 176.117 -0.379 0.000 1.119 443 I CA 1.993 63.010 61.300 -0.471 0.000 1.384 443 I CB -0.241 37.389 38.000 -0.617 0.000 1.062 443 I HN 0.381 nan 8.210 nan 0.000 0.426 444 A N -0.289 122.106 122.820 -0.708 0.000 1.897 444 A HA -0.261 4.059 4.320 -0.000 0.000 0.215 444 A C 2.095 179.595 177.584 -0.139 0.000 1.181 444 A CA 1.502 53.249 52.037 -0.484 0.000 0.620 444 A CB -1.337 16.966 19.000 -1.161 0.000 0.821 444 A HN 0.775 nan 8.150 nan 0.000 0.443 445 W N 0.730 121.826 121.300 -0.339 0.000 2.388 445 W HA -0.106 4.554 4.660 -0.000 0.000 0.294 445 W C 1.816 178.287 176.519 -0.080 0.000 1.212 445 W CA 1.554 58.795 57.345 -0.173 0.000 1.271 445 W CB -0.024 29.336 29.460 -0.165 0.000 1.126 445 W HN 0.447 nan 8.180 nan 0.000 0.535 446 E N 0.093 120.336 120.200 0.072 0.000 2.204 446 E HA -0.201 4.148 4.350 -0.000 0.000 0.194 446 E C 1.923 178.540 176.600 0.027 0.000 0.989 446 E CA 1.512 57.869 56.400 -0.071 0.000 0.824 446 E CB -0.245 29.557 29.700 0.169 0.000 0.756 446 E HN 0.428 nan 8.360 nan 0.000 0.477 447 I N -1.531 119.057 120.570 0.030 0.000 3.081 447 I HA 0.104 4.273 4.170 -0.000 0.000 0.274 447 I C 1.562 177.716 176.117 0.062 0.000 1.178 447 I CA 0.718 62.073 61.300 0.090 0.000 1.460 447 I CB 0.690 38.682 38.000 -0.014 0.000 1.137 447 I HN 0.304 nan 8.210 nan 0.000 0.443 448 G N 1.234 110.036 108.800 0.004 0.000 2.176 448 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.232 448 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.232 448 G C 0.442 175.379 174.900 0.061 0.000 0.986 448 G CA 0.247 45.340 45.100 -0.010 0.000 0.643 448 G HN 0.445 nan 8.290 nan 0.000 0.522 449 T N -2.451 112.197 114.554 0.155 0.000 2.865 449 T HA 0.973 5.323 4.350 -0.000 0.000 0.294 449 T C -0.385 174.429 174.700 0.189 0.000 1.119 449 T CA 0.274 62.503 62.100 0.215 0.000 1.007 449 T CB 2.275 71.341 68.868 0.330 0.000 1.225 449 T HN 1.900 nan 8.240 nan 0.000 0.515 450 A N 0.753 123.541 122.820 -0.054 0.000 2.515 450 A HA 0.836 5.156 4.320 -0.000 0.000 0.296 450 A C -2.423 174.770 177.584 -0.651 0.000 1.094 450 A CA -1.981 49.741 52.037 -0.525 0.000 0.718 450 A CB 1.110 19.969 19.000 -0.235 0.000 1.307 450 A HN 0.562 nan 8.150 nan 0.000 0.408 451 P HA -0.134 nan 4.420 nan 0.000 0.218 451 P C 1.230 178.545 177.300 0.026 0.000 1.148 451 P CA 0.824 63.709 63.100 -0.358 0.000 0.822 451 P CB 0.061 31.599 31.700 -0.269 0.000 0.784 452 I N -0.921 119.677 120.570 0.047 0.000 3.102 452 I HA -0.160 4.009 4.170 -0.000 0.000 0.278 452 I C 0.735 176.907 176.117 0.092 0.000 1.316 452 I CA 0.942 62.371 61.300 0.215 0.000 1.425 452 I CB -0.694 37.391 38.000 0.141 0.000 1.073 452 I HN -0.004 nan 8.210 nan 0.000 0.503 463 K N 6.776 126.685 120.400 -0.819 0.000 2.345 463 K HA 0.605 4.925 4.320 -0.000 0.000 0.255 463 K C -0.934 175.166 176.600 -0.834 0.000 0.934 463 K CA -0.765 55.173 56.287 -0.583 0.000 0.801 463 K CB 2.004 34.315 32.500 -0.315 0.000 1.137 463 K HN 0.576 nan 8.250 nan 0.000 0.424 464 I N 2.797 123.065 120.570 -0.504 0.000 2.618 464 I HA -0.015 4.155 4.170 -0.000 0.000 0.284 464 I C 0.257 176.226 176.117 -0.248 0.000 1.146 464 I CA 0.513 61.588 61.300 -0.374 0.000 1.425 464 I CB 0.462 38.357 38.000 -0.175 0.000 1.383 464 I HN 0.627 nan 8.210 nan 0.000 0.562 465 S N 5.160 120.693 115.700 -0.279 0.000 2.546 465 S HA 0.501 4.970 4.470 -0.000 0.000 0.274 465 S C -0.780 173.729 174.600 -0.152 0.000 1.121 465 S CA -0.762 57.370 58.200 -0.112 0.000 0.887 465 S CB 1.344 64.462 63.200 -0.137 0.000 1.094 465 S HN 0.446 nan 8.310 nan 0.000 0.474 466 Y N 0.340 120.621 120.300 -0.031 0.000 2.734 466 Y HA 0.362 4.911 4.550 -0.000 0.000 0.278 466 Y C 0.548 176.448 175.900 0.001 0.000 1.108 466 Y CA -1.135 56.966 58.100 0.000 0.000 1.211 466 Y CB -0.020 38.445 38.460 0.008 0.000 1.182 466 Y HN 0.747 nan 8.280 nan 0.000 0.547 467 D N 3.018 123.481 120.400 0.106 0.000 2.586 467 D HA -0.062 4.578 4.640 -0.000 0.000 0.234 467 D C -1.414 174.936 176.300 0.082 0.000 1.132 467 D CA -1.179 52.866 54.000 0.075 0.000 0.860 467 D CB 1.287 42.115 40.800 0.047 0.000 1.159 467 D HN 0.125 nan 8.370 nan 0.000 0.490 468 P HA -0.160 nan 4.420 nan 0.000 0.226 468 P C 1.457 178.781 177.300 0.039 0.000 1.146 468 P CA 0.333 63.458 63.100 0.041 0.000 0.773 468 P CB 0.201 31.915 31.700 0.022 0.000 0.772 469 I N -0.202 120.407 120.570 0.066 0.000 2.830 469 I HA -0.106 4.064 4.170 -0.000 0.000 0.263 469 I C 1.949 178.133 176.117 0.112 0.000 1.230 469 I CA 1.081 62.428 61.300 0.079 0.000 1.480 469 I CB -0.476 37.597 38.000 0.122 0.000 1.095 469 I HN -0.206 nan 8.210 nan 0.000 0.455 470 K N 0.360 120.853 120.400 0.154 0.000 2.097 470 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 470 K C 2.082 178.695 176.600 0.021 0.000 1.050 470 K CA 1.235 57.626 56.287 0.173 0.000 0.938 470 K CB -0.272 32.340 32.500 0.186 0.000 0.718 470 K HN 0.386 nan 8.250 nan 0.000 0.442 471 A N 1.332 124.163 122.820 0.017 0.000 2.015 471 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 471 A C 2.125 179.696 177.584 -0.021 0.000 1.163 471 A CA 1.416 53.470 52.037 0.029 0.000 0.646 471 A CB -0.293 18.724 19.000 0.029 0.000 0.806 471 A HN 0.255 nan 8.150 nan 0.000 0.448 472 Q N -0.108 119.643 119.800 -0.082 0.000 2.096 472 Q HA -0.070 4.270 4.340 -0.000 0.000 0.197 472 Q C 2.048 177.915 176.000 -0.222 0.000 0.964 472 Q CA 1.636 57.349 55.803 -0.149 0.000 0.838 472 Q CB -0.163 28.502 28.738 -0.122 0.000 0.906 472 Q HN 0.330 nan 8.270 nan 0.000 0.444 473 K N -0.195 120.027 120.400 -0.297 0.000 2.147 473 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 473 K C 1.907 178.283 176.600 -0.374 0.000 1.049 473 K CA 0.948 56.930 56.287 -0.508 0.000 0.936 473 K CB -0.317 31.520 32.500 -1.105 0.000 0.722 473 K HN 0.205 nan 8.250 nan 0.000 0.446 474 V N 0.480 120.258 119.914 -0.226 0.000 2.270 474 V HA -0.211 3.908 4.120 -0.000 0.000 0.245 474 V C 2.475 178.519 176.094 -0.084 0.000 1.043 474 V CA 1.407 63.641 62.300 -0.111 0.000 1.014 474 V CB -0.373 31.442 31.823 -0.014 0.000 0.645 474 V HN -0.018 nan 8.190 nan 0.000 0.447 475 V N -0.079 119.785 119.914 -0.083 0.000 2.332 475 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 475 V C 2.429 178.359 176.094 -0.274 0.000 1.055 475 V CA 2.224 64.397 62.300 -0.210 0.000 1.038 475 V CB -0.687 30.931 31.823 -0.341 0.000 0.651 475 V HN 0.634 nan 8.190 nan 0.000 0.450 476 E N -0.240 119.792 120.200 -0.281 0.000 2.051 476 E HA -0.187 4.162 4.350 -0.000 0.000 0.192 476 E C 2.269 178.735 176.600 -0.223 0.000 0.991 476 E CA 1.247 57.453 56.400 -0.323 0.000 0.799 476 E CB -0.189 29.308 29.700 -0.339 0.000 0.748 476 E HN 0.500 nan 8.360 nan 0.000 0.449 477 L N 0.859 121.987 121.223 -0.157 0.000 2.046 477 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 477 L C 2.580 179.466 176.870 0.028 0.000 1.077 477 L CA 1.236 56.063 54.840 -0.022 0.000 0.747 477 L CB -0.337 41.701 42.059 -0.036 0.000 0.896 477 L HN 0.185 nan 8.230 nan 0.000 0.432 478 Q N -0.394 119.379 119.800 -0.044 0.000 2.084 478 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 478 Q C 2.322 178.287 176.000 -0.058 0.000 0.978 478 Q CA 1.344 57.128 55.803 -0.033 0.000 0.844 478 Q CB -0.138 28.471 28.738 -0.215 0.000 0.898 478 Q HN 0.411 nan 8.270 nan 0.000 0.426 479 R N 0.198 120.602 120.500 -0.160 0.000 2.117 479 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 479 R C 2.143 178.478 176.300 0.057 0.000 1.143 479 R CA 1.219 57.279 56.100 -0.067 0.000 0.968 479 R CB -0.184 30.058 30.300 -0.097 0.000 0.863 479 R HN 0.260 nan 8.270 nan 0.000 0.444 480 L N -1.008 120.249 121.223 0.057 0.000 2.145 480 L HA -0.006 4.333 4.340 -0.000 0.000 0.201 480 L C 2.427 179.474 176.870 0.294 0.000 1.075 480 L CA 0.933 55.825 54.840 0.086 0.000 0.773 480 L CB -0.232 41.819 42.059 -0.014 0.000 0.936 480 L HN 0.033 nan 8.230 nan 0.000 0.451 481 R N -0.006 120.687 120.500 0.322 0.000 2.062 481 R HA 0.012 4.352 4.340 -0.000 0.000 0.226 481 R C 1.997 178.451 176.300 0.257 0.000 1.125 481 R CA 1.184 57.481 56.100 0.329 0.000 0.966 481 R CB -0.485 29.970 30.300 0.258 0.000 0.861 481 R HN 0.324 nan 8.270 nan 0.000 0.433 482 G N -0.964 108.000 108.800 0.273 0.000 3.141 482 G HA2 0.155 4.115 3.960 -0.000 0.000 0.218 482 G HA3 0.155 4.115 3.960 -0.000 0.000 0.218 482 G C 0.539 175.664 174.900 0.375 0.000 1.170 482 G CA 0.375 45.674 45.100 0.332 0.000 0.769 482 G HN 0.404 nan 8.290 nan 0.000 0.546 483 G N 0.314 109.286 108.800 0.286 0.000 2.543 483 G HA2 0.251 4.211 3.960 -0.000 0.000 0.202 483 G HA3 0.251 4.211 3.960 -0.000 0.000 0.202 483 G C 1.238 176.189 174.900 0.084 0.000 1.897 483 G CA 0.437 45.671 45.100 0.222 0.000 0.726 483 G HN 0.181 nan 8.290 nan 0.000 0.804 484 L N 0.220 121.428 121.223 -0.024 0.000 2.011 484 L HA -0.126 4.214 4.340 -0.000 0.000 0.225 484 L C 2.561 179.236 176.870 -0.326 0.000 1.084 484 L CA 2.305 56.995 54.840 -0.250 0.000 0.791 484 L CB -0.712 41.086 42.059 -0.436 0.000 0.898 484 L HN 0.239 nan 8.230 nan 0.000 0.440 485 F N -0.442 119.437 119.950 -0.118 0.000 2.365 485 F HA -0.068 4.459 4.527 -0.000 0.000 0.300 485 F C 2.302 178.072 175.800 -0.050 0.000 1.090 485 F CA 0.892 58.811 58.000 -0.135 0.000 1.408 485 F CB -0.315 38.627 39.000 -0.097 0.000 1.060 485 F HN 0.189 nan 8.300 nan 0.000 0.534 486 E N -0.879 119.413 120.200 0.154 0.000 2.479 486 E HA 0.098 4.448 4.350 -0.000 0.000 0.193 486 E C 1.725 178.393 176.600 0.113 0.000 1.049 486 E CA 0.412 56.896 56.400 0.139 0.000 0.870 486 E CB 0.039 29.830 29.700 0.152 0.000 0.944 486 E HN 0.448 nan 8.360 nan 0.000 0.492 487 M N -0.899 118.736 119.600 0.058 0.000 2.538 487 M HA 0.155 4.634 4.480 -0.000 0.000 0.259 487 M C 1.867 178.186 176.300 0.031 0.000 1.217 487 M CA 0.138 55.477 55.300 0.064 0.000 1.131 487 M CB 0.462 33.086 32.600 0.041 0.000 1.382 487 M HN -0.003 nan 8.290 nan 0.000 0.520 488 L N -0.289 120.878 121.223 -0.094 0.000 1.976 488 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 488 L C 1.438 178.338 176.870 0.050 0.000 1.071 488 L CA 1.106 55.838 54.840 -0.180 0.000 0.746 488 L CB -0.703 40.970 42.059 -0.643 0.000 0.890 488 L HN 0.237 nan 8.230 nan 0.000 0.432 489 T N -0.828 113.789 114.554 0.105 0.000 2.823 489 T HA 0.683 5.033 4.350 -0.000 0.000 0.279 489 T C -0.694 174.081 174.700 0.124 0.000 0.998 489 T CA -0.386 61.758 62.100 0.074 0.000 0.994 489 T CB 1.616 70.564 68.868 0.132 0.000 0.960 489 T HN 0.255 nan 8.240 nan 0.000 0.448 490 A N 2.787 125.687 122.820 0.134 0.000 2.485 490 A HA 0.699 5.019 4.320 -0.000 0.000 0.292 490 A C 0.040 177.776 177.584 0.253 0.000 1.147 490 A CA -0.812 51.371 52.037 0.242 0.000 0.750 490 A CB 0.970 20.146 19.000 0.293 0.000 1.331 490 A HN 1.043 nan 8.150 nan 0.000 0.419 491 C N 0.383 119.789 119.300 0.178 0.000 2.637 491 C HA 0.416 4.876 4.460 -0.000 0.000 0.418 491 C C 2.020 176.852 174.990 -0.263 0.000 1.319 491 C CA 0.085 59.112 59.018 0.015 0.000 1.949 491 C CB -0.293 27.485 27.740 0.063 0.000 2.639 491 C HN 0.943 nan 8.230 nan 0.000 0.594 492 R N 4.112 124.285 120.500 -0.545 0.000 2.210 492 R HA 0.090 4.430 4.340 -0.000 0.000 0.203 492 R C 1.559 177.597 176.300 -0.436 0.000 1.010 492 R CA 0.745 56.251 56.100 -0.990 0.000 1.008 492 R CB -0.259 29.556 30.300 -0.808 0.000 0.923 492 R HN 0.741 nan 8.270 nan 0.000 0.469 493 L N 1.118 122.149 121.223 -0.321 0.000 2.043 493 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 493 L C -0.499 176.143 176.870 -0.381 0.000 1.075 493 L CA 1.566 56.180 54.840 -0.376 0.000 0.752 493 L CB -1.512 40.353 42.059 -0.324 0.000 0.891 493 L HN 0.189 nan 8.230 nan 0.000 0.432 494 P HA -0.211 nan 4.420 nan 0.000 0.219 494 P C 1.124 178.432 177.300 0.014 0.000 1.146 494 P CA 1.317 64.356 63.100 -0.101 0.000 0.808 494 P CB -0.082 31.655 31.700 0.062 0.000 0.779 495 W N -0.152 121.089 121.300 -0.097 0.000 2.480 495 W HA -0.042 4.617 4.660 -0.000 0.000 0.299 495 W C 1.763 178.243 176.519 -0.065 0.000 1.187 495 W CA 0.749 58.094 57.345 -0.000 0.000 1.347 495 W CB -1.108 28.407 29.460 0.091 0.000 1.121 495 W HN -0.350 nan 8.180 nan 0.000 0.533 496 V N 1.946 121.398 119.914 -0.769 0.000 2.295 496 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 496 V C 2.477 178.252 176.094 -0.532 0.000 1.049 496 V CA 2.508 64.249 62.300 -0.932 0.000 1.024 496 V CB -0.752 30.632 31.823 -0.732 0.000 0.648 496 V HN 0.184 nan 8.190 nan 0.000 0.447 497 E N 0.151 120.046 120.200 -0.510 0.000 2.075 497 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 497 E C 2.120 178.543 176.600 -0.295 0.000 0.969 497 E CA 1.640 57.764 56.400 -0.460 0.000 0.815 497 E CB -0.245 28.920 29.700 -0.892 0.000 0.776 497 E HN 0.627 nan 8.360 nan 0.000 0.457 498 V N -2.531 117.210 119.914 -0.289 0.000 3.590 498 V HA 0.430 4.550 4.120 -0.000 0.000 0.265 498 V C 1.196 177.280 176.094 -0.017 0.000 1.239 498 V CA 0.535 62.773 62.300 -0.103 0.000 1.117 498 V CB -0.061 31.723 31.823 -0.064 0.000 0.818 498 V HN 0.266 nan 8.190 nan 0.000 0.451 499 G N 1.099 109.881 108.800 -0.031 0.000 2.248 499 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.263 499 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.263 499 G C -0.350 174.680 174.900 0.215 0.000 1.082 499 G CA 0.293 45.446 45.100 0.089 0.000 0.863 499 G HN 0.850 nan 8.290 nan 0.000 0.495 500 L N 1.062 122.438 121.223 0.254 0.000 2.453 500 L HA 0.632 4.972 4.340 -0.000 0.000 0.272 500 L C 1.084 178.215 176.870 0.434 0.000 1.182 500 L CA 0.581 55.593 54.840 0.287 0.000 0.858 500 L CB 1.131 43.321 42.059 0.217 0.000 1.120 500 L HN 0.446 nan 8.230 nan 0.000 0.474 501 S N 4.122 120.081 115.700 0.432 0.000 2.544 501 S HA 0.057 4.527 4.470 -0.000 0.000 0.290 501 S C 1.276 176.148 174.600 0.453 0.000 1.276 501 S CA -0.266 58.165 58.200 0.384 0.000 1.075 501 S CB -0.031 63.321 63.200 0.254 0.000 0.849 501 S HN 0.722 nan 8.310 nan 0.000 0.494 502 L N 3.790 125.198 121.223 0.308 0.000 2.633 502 L HA -0.032 4.308 4.340 -0.000 0.000 0.235 502 L C 1.378 178.594 176.870 0.575 0.000 1.163 502 L CA 0.520 55.581 54.840 0.368 0.000 0.859 502 L CB -0.240 41.736 42.059 -0.138 0.000 0.973 502 L HN 0.641 nan 8.230 nan 0.000 0.451 503 D N -1.019 119.587 120.400 0.344 0.000 2.347 503 D HA -0.132 4.508 4.640 -0.000 0.000 0.215 503 D C 1.747 178.065 176.300 0.030 0.000 0.976 503 D CA 0.921 55.061 54.000 0.233 0.000 0.884 503 D CB 0.165 40.989 40.800 0.040 0.000 0.915 503 D HN 0.360 nan 8.370 nan 0.000 0.526 504 Y N -0.487 119.791 120.300 -0.036 0.000 2.314 504 Y HA -0.149 4.401 4.550 -0.000 0.000 0.293 504 Y C 1.874 177.595 175.900 -0.299 0.000 1.129 504 Y CA 0.688 58.647 58.100 -0.235 0.000 1.201 504 Y CB -0.382 37.843 38.460 -0.391 0.000 0.999 504 Y HN 0.021 nan 8.280 nan 0.000 0.541 505 Y N -0.352 120.061 120.300 0.188 0.000 2.224 505 Y HA -0.138 4.412 4.550 -0.000 0.000 0.289 505 Y C -0.541 175.288 175.900 -0.117 0.000 1.146 505 Y CA 0.985 59.110 58.100 0.042 0.000 1.182 505 Y CB -1.999 36.365 38.460 -0.160 0.000 0.983 505 Y HN 0.154 nan 8.280 nan 0.000 0.524 506 P HA -0.076 nan 4.420 nan 0.000 0.221 506 P C 1.003 178.204 177.300 -0.164 0.000 1.155 506 P CA 1.491 64.391 63.100 -0.332 0.000 0.812 506 P CB 0.117 31.423 31.700 -0.658 0.000 0.801 507 K N -0.132 120.191 120.400 -0.128 0.000 2.062 507 K HA 0.020 4.340 4.320 -0.000 0.000 0.205 507 K C 2.178 178.714 176.600 -0.106 0.000 1.051 507 K CA 0.979 57.198 56.287 -0.113 0.000 0.941 507 K CB -1.082 31.348 32.500 -0.117 0.000 0.719 507 K HN 0.221 nan 8.250 nan 0.000 0.440 508 L N 0.943 122.116 121.223 -0.083 0.000 2.017 508 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 508 L C 2.557 179.318 176.870 -0.181 0.000 1.073 508 L CA 0.577 55.312 54.840 -0.174 0.000 0.745 508 L CB -0.458 41.480 42.059 -0.203 0.000 0.894 508 L HN 0.079 nan 8.230 nan 0.000 0.432 509 L N 0.755 121.996 121.223 0.032 0.000 2.013 509 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 509 L C 2.646 179.461 176.870 -0.091 0.000 1.073 509 L CA 2.260 57.119 54.840 0.032 0.000 0.753 509 L CB -0.671 41.395 42.059 0.013 0.000 0.890 509 L HN 0.264 nan 8.230 nan 0.000 0.432 510 K N -0.437 119.923 120.400 -0.067 0.000 2.063 510 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 510 K C 1.863 178.371 176.600 -0.152 0.000 1.048 510 K CA 1.748 57.985 56.287 -0.083 0.000 0.928 510 K CB -0.523 31.927 32.500 -0.083 0.000 0.713 510 K HN 0.316 nan 8.250 nan 0.000 0.442 511 A N 0.480 123.194 122.820 -0.178 0.000 2.067 511 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 511 A C 1.985 179.413 177.584 -0.260 0.000 1.158 511 A CA 1.150 53.060 52.037 -0.211 0.000 0.661 511 A CB -0.396 18.483 19.000 -0.202 0.000 0.801 511 A HN 0.416 nan 8.150 nan 0.000 0.452 512 I N -0.950 119.451 120.570 -0.282 0.000 2.499 512 I HA -0.097 4.072 4.170 -0.000 0.000 0.243 512 I C 2.612 178.541 176.117 -0.314 0.000 1.085 512 I CA 1.552 62.661 61.300 -0.319 0.000 1.422 512 I CB -0.164 37.604 38.000 -0.386 0.000 1.165 512 I HN 0.406 nan 8.210 nan 0.000 0.440 513 T N -2.013 112.331 114.554 -0.351 0.000 3.043 513 T HA 0.215 4.565 4.350 -0.000 0.000 0.263 513 T C 1.636 176.267 174.700 -0.114 0.000 1.094 513 T CA 0.670 62.549 62.100 -0.368 0.000 1.127 513 T CB 0.406 68.816 68.868 -0.764 0.000 0.905 513 T HN 0.533 nan 8.240 nan 0.000 0.490 514 G N 0.674 109.382 108.800 -0.154 0.000 2.217 514 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.246 514 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.246 514 G C 0.115 174.983 174.900 -0.053 0.000 0.990 514 G CA -0.032 44.989 45.100 -0.132 0.000 0.627 514 G HN 0.682 nan 8.290 nan 0.000 0.522 515 V N 1.458 121.378 119.914 0.010 0.000 2.607 515 V HA 0.571 4.691 4.120 -0.000 0.000 0.289 515 V C 0.820 176.886 176.094 -0.045 0.000 1.053 515 V CA 0.330 62.626 62.300 -0.007 0.000 0.996 515 V CB 1.669 33.531 31.823 0.066 0.000 0.995 515 V HN 0.224 nan 8.190 nan 0.000 0.476 516 T N 4.712 119.183 114.554 -0.138 0.000 2.762 516 T HA 0.423 4.772 4.350 -0.000 0.000 0.303 516 T C -0.792 173.779 174.700 -0.216 0.000 0.977 516 T CA 0.166 62.187 62.100 -0.132 0.000 0.961 516 T CB -0.308 68.482 68.868 -0.129 0.000 0.944 516 T HN 0.431 nan 8.240 nan 0.000 0.481 517 Y N 2.641 122.839 120.300 -0.171 0.000 2.328 517 Y HA 0.416 4.966 4.550 -0.000 0.000 0.337 517 Y C 1.318 177.025 175.900 -0.321 0.000 1.008 517 Y CA -0.725 57.245 58.100 -0.217 0.000 1.129 517 Y CB 1.245 39.565 38.460 -0.233 0.000 1.185 517 Y HN 0.571 nan 8.280 nan 0.000 0.476 518 T N -1.766 112.688 114.554 -0.168 0.000 2.927 518 T HA 0.129 4.479 4.350 -0.000 0.000 0.281 518 T C 0.678 175.176 174.700 -0.336 0.000 0.998 518 T CA -0.718 61.237 62.100 -0.240 0.000 1.019 518 T CB 0.713 69.501 68.868 -0.135 0.000 1.061 518 T HN 0.776 nan 8.240 nan 0.000 0.518 519 W N 0.444 121.567 121.300 -0.296 0.000 2.364 519 W HA -0.037 4.623 4.660 -0.000 0.000 0.281 519 W C 2.050 177.949 176.519 -1.033 0.000 1.219 519 W CA 0.745 57.691 57.345 -0.664 0.000 1.220 519 W CB -0.136 28.985 29.460 -0.565 0.000 1.127 519 W HN 0.783 nan 8.180 nan 0.000 0.556 520 D N -0.140 120.080 120.400 -0.300 0.000 2.224 520 D HA -0.144 4.496 4.640 -0.000 0.000 0.205 520 D C 1.284 177.524 176.300 -0.099 0.000 0.965 520 D CA 1.184 55.097 54.000 -0.145 0.000 0.852 520 D CB -0.173 40.629 40.800 0.003 0.000 0.947 520 D HN 0.185 nan 8.370 nan 0.000 0.494 521 D N 0.859 121.191 120.400 -0.115 0.000 2.097 521 D HA -0.073 4.567 4.640 -0.000 0.000 0.197 521 D C 2.452 178.764 176.300 0.019 0.000 0.984 521 D CA 0.465 54.451 54.000 -0.025 0.000 0.826 521 D CB -0.222 40.580 40.800 0.004 0.000 0.973 521 D HN 0.239 nan 8.370 nan 0.000 0.460 522 L N -0.053 121.121 121.223 -0.082 0.000 2.017 522 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 522 L C 2.531 179.440 176.870 0.065 0.000 1.073 522 L CA 0.947 55.738 54.840 -0.081 0.000 0.745 522 L CB -0.705 41.227 42.059 -0.211 0.000 0.894 522 L HN 0.052 nan 8.230 nan 0.000 0.432 523 Y N 0.418 120.760 120.300 0.069 0.000 2.256 523 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 523 Y C 2.628 178.527 175.900 -0.001 0.000 1.155 523 Y CA 0.909 59.024 58.100 0.024 0.000 1.203 523 Y CB -0.812 37.660 38.460 0.019 0.000 0.980 523 Y HN 0.170 nan 8.280 nan 0.000 0.530 524 K N -0.060 120.424 120.400 0.140 0.000 2.062 524 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 524 K C 2.330 178.956 176.600 0.044 0.000 1.051 524 K CA 0.878 57.206 56.287 0.069 0.000 0.941 524 K CB -0.143 32.375 32.500 0.031 0.000 0.719 524 K HN 0.173 nan 8.250 nan 0.000 0.440 525 A N 1.172 124.017 122.820 0.042 0.000 1.858 525 A HA -0.119 4.200 4.320 -0.000 0.000 0.216 525 A C 2.343 179.968 177.584 0.067 0.000 1.190 525 A CA 1.921 53.965 52.037 0.013 0.000 0.617 525 A CB -0.985 18.025 19.000 0.016 0.000 0.827 525 A HN 0.434 nan 8.150 nan 0.000 0.443 526 A N -0.032 122.853 122.820 0.107 0.000 1.940 526 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 526 A C 1.723 179.448 177.584 0.235 0.000 1.176 526 A CA 2.049 54.193 52.037 0.178 0.000 0.631 526 A CB -0.652 18.433 19.000 0.141 0.000 0.814 526 A HN 0.473 nan 8.150 nan 0.000 0.446 527 D N -1.062 119.416 120.400 0.130 0.000 2.178 527 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 527 D C 2.036 178.453 176.300 0.195 0.000 0.974 527 D CA 0.975 55.050 54.000 0.124 0.000 0.841 527 D CB -0.288 40.535 40.800 0.039 0.000 0.953 527 D HN 0.532 nan 8.370 nan 0.000 0.478 528 R N 0.592 121.169 120.500 0.130 0.000 2.066 528 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 528 R C 2.068 178.473 176.300 0.174 0.000 1.131 528 R CA 0.910 57.064 56.100 0.091 0.000 0.955 528 R CB -0.154 30.122 30.300 -0.040 0.000 0.851 528 R HN 0.000 nan 8.270 nan 0.000 0.432 529 V N 0.291 120.336 119.914 0.218 0.000 2.392 529 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 529 V C 1.931 178.117 176.094 0.153 0.000 1.059 529 V CA 1.686 64.114 62.300 0.213 0.000 1.051 529 V CB -0.716 31.233 31.823 0.210 0.000 0.658 529 V HN 0.338 nan 8.190 nan 0.000 0.455 530 Y N 0.516 120.916 120.300 0.166 0.000 2.220 530 Y HA -0.136 4.414 4.550 -0.000 0.000 0.291 530 Y C 2.862 178.965 175.900 0.338 0.000 1.129 530 Y CA 1.735 59.993 58.100 0.264 0.000 1.161 530 Y CB -0.394 38.232 38.460 0.277 0.000 0.997 530 Y HN 0.152 nan 8.280 nan 0.000 0.522 531 S N -0.347 115.604 115.700 0.419 0.000 2.406 531 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 531 S C 1.919 176.526 174.600 0.011 0.000 1.020 531 S CA 0.740 59.084 58.200 0.239 0.000 0.965 531 S CB -0.437 62.885 63.200 0.203 0.000 0.798 531 S HN 0.275 nan 8.310 nan 0.000 0.488 532 L N 1.934 123.175 121.223 0.030 0.000 2.005 532 L HA 0.078 4.418 4.340 -0.000 0.000 0.207 532 L C 1.852 178.737 176.870 0.024 0.000 1.072 532 L CA 1.603 56.409 54.840 -0.056 0.000 0.744 532 L CB -0.643 41.447 42.059 0.050 0.000 0.895 532 L HN 0.250 nan 8.230 nan 0.000 0.433 533 I N -0.769 119.818 120.570 0.027 0.000 2.208 533 I HA -0.302 3.867 4.170 -0.000 0.000 0.245 533 I C 2.626 178.934 176.117 0.318 0.000 1.097 533 I CA 1.209 62.564 61.300 0.092 0.000 1.363 533 I CB -0.366 37.582 38.000 -0.087 0.000 1.051 533 I HN 0.266 nan 8.210 nan 0.000 0.413 534 R N 1.623 122.211 120.500 0.145 0.000 2.091 534 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 534 R C 2.143 178.350 176.300 -0.155 0.000 1.136 534 R CA 1.900 57.959 56.100 -0.069 0.000 0.959 534 R CB -0.958 29.060 30.300 -0.470 0.000 0.856 534 R HN 0.378 nan 8.270 nan 0.000 0.437 535 A N -0.566 122.195 122.820 -0.099 0.000 1.883 535 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 535 A C 2.210 179.948 177.584 0.256 0.000 1.186 535 A CA 1.622 53.634 52.037 -0.042 0.000 0.624 535 A CB -1.094 17.792 19.000 -0.191 0.000 0.822 535 A HN 0.538 nan 8.150 nan 0.000 0.444 536 Y N -1.177 119.301 120.300 0.297 0.000 2.128 536 Y HA -0.289 4.261 4.550 -0.000 0.000 0.284 536 Y C 2.172 178.151 175.900 0.131 0.000 1.154 536 Y CA 2.038 60.337 58.100 0.331 0.000 1.149 536 Y CB -0.534 38.084 38.460 0.264 0.000 0.976 536 Y HN 0.468 nan 8.280 nan 0.000 0.505 537 W N -0.613 120.704 121.300 0.029 0.000 2.332 537 W HA -0.252 4.408 4.660 -0.000 0.000 0.321 537 W C 2.547 178.776 176.519 -0.482 0.000 1.219 537 W CA 2.365 59.581 57.345 -0.215 0.000 1.277 537 W CB -0.990 28.204 29.460 -0.443 0.000 1.161 537 W HN -0.161 nan 8.180 nan 0.000 0.476 538 V N 0.538 120.147 119.914 -0.507 0.000 2.287 538 V HA -0.329 3.790 4.120 -0.000 0.000 0.248 538 V C 2.524 178.558 176.094 -0.100 0.000 1.053 538 V CA 2.141 64.150 62.300 -0.485 0.000 1.027 538 V CB -0.987 30.497 31.823 -0.565 0.000 0.646 538 V HN 0.180 nan 8.190 nan 0.000 0.447 539 R N 0.082 120.535 120.500 -0.078 0.000 2.080 539 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 539 R C 2.273 178.504 176.300 -0.115 0.000 1.137 539 R CA 1.849 57.902 56.100 -0.078 0.000 0.943 539 R CB -0.351 29.883 30.300 -0.109 0.000 0.846 539 R HN 0.500 nan 8.270 nan 0.000 0.431 540 E N -0.297 119.780 120.200 -0.204 0.000 2.268 540 E HA -0.148 4.201 4.350 -0.000 0.000 0.195 540 E C 1.382 178.022 176.600 0.066 0.000 0.995 540 E CA 0.735 57.025 56.400 -0.183 0.000 0.836 540 E CB -0.160 29.302 29.700 -0.398 0.000 0.763 540 E HN 0.276 nan 8.360 nan 0.000 0.491 541 F N 0.948 120.887 119.950 -0.017 0.000 2.693 541 F HA 0.091 4.618 4.527 -0.000 0.000 0.303 541 F C 0.698 176.545 175.800 0.079 0.000 1.143 541 F CA -0.304 57.769 58.000 0.121 0.000 1.389 541 F CB -0.645 38.569 39.000 0.358 0.000 1.060 541 F HN -0.097 nan 8.300 nan 0.000 0.535 542 N N 0.957 119.735 118.700 0.130 0.000 2.714 542 N HA -0.233 4.507 4.740 -0.000 0.000 0.252 542 N C 1.262 176.834 175.510 0.104 0.000 1.014 542 N CA 0.941 54.031 53.050 0.066 0.000 0.735 542 N CB -1.022 37.480 38.487 0.025 0.000 0.924 542 N HN 0.631 nan 8.380 nan 0.000 0.540 543 G N -0.650 108.222 108.800 0.119 0.000 2.270 543 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.268 543 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.268 543 G C 0.191 175.210 174.900 0.198 0.000 0.982 543 G CA 0.800 45.970 45.100 0.116 0.000 0.628 543 G HN 0.664 nan 8.290 nan 0.000 0.544 544 K N 0.615 121.173 120.400 0.263 0.000 2.237 544 K HA 0.325 4.645 4.320 -0.000 0.000 0.283 544 K C -0.769 176.114 176.600 0.472 0.000 1.080 544 K CA -0.350 56.112 56.287 0.293 0.000 0.965 544 K CB -0.215 32.435 32.500 0.250 0.000 1.098 544 K HN 0.404 nan 8.250 nan 0.000 0.434 545 W N 4.106 125.460 121.300 0.091 0.000 3.571 545 W HA 0.134 4.794 4.660 -0.000 0.000 0.294 545 W C -1.769 174.756 176.519 0.010 0.000 1.257 545 W CA -0.680 56.692 57.345 0.045 0.000 1.206 545 W CB 1.497 30.957 29.460 0.000 0.000 1.325 545 W HN 0.704 nan 8.180 nan 0.000 0.546 546 D N 1.566 121.892 120.400 -0.123 0.000 2.692 546 D HA 0.251 4.891 4.640 -0.000 0.000 0.303 546 D C 1.015 177.223 176.300 -0.155 0.000 1.278 546 D CA -0.576 53.395 54.000 -0.047 0.000 0.852 546 D CB 0.578 41.357 40.800 -0.035 0.000 1.375 546 D HN 0.409 nan 8.370 nan 0.000 0.453 547 R N -0.193 120.319 120.500 0.020 0.000 2.200 547 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 547 R C 0.777 177.088 176.300 0.018 0.000 1.127 547 R CA 0.644 56.849 56.100 0.176 0.000 0.989 547 R CB -0.443 30.058 30.300 0.335 0.000 0.869 547 R HN 0.124 nan 8.270 nan 0.000 0.459 548 K N 0.564 120.821 120.400 -0.238 0.000 2.362 548 K HA 0.028 4.348 4.320 -0.000 0.000 0.200 548 K C 1.831 178.310 176.600 -0.201 0.000 1.046 548 K CA 0.771 56.829 56.287 -0.382 0.000 0.952 548 K CB -0.115 32.154 32.500 -0.384 0.000 0.753 548 K HN 0.296 nan 8.250 nan 0.000 0.466 549 M N 0.571 119.972 119.600 -0.331 0.000 2.394 549 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 549 M C 0.390 176.580 176.300 -0.184 0.000 1.073 549 M CA 1.144 56.158 55.300 -0.477 0.000 1.111 549 M CB -0.295 31.527 32.600 -1.296 0.000 1.401 549 M HN -0.010 nan 8.290 nan 0.000 0.448 550 D N -0.992 119.446 120.400 0.064 0.000 2.368 550 D HA 0.067 4.706 4.640 -0.000 0.000 0.218 550 D C -0.432 176.125 176.300 0.427 0.000 1.112 550 D CA 0.085 54.237 54.000 0.253 0.000 0.834 550 D CB 0.327 41.361 40.800 0.389 0.000 0.953 550 D HN 0.127 nan 8.370 nan 0.000 0.505 551 Y N 1.256 121.631 120.300 0.126 0.000 2.320 551 Y HA 0.280 4.830 4.550 -0.000 0.000 0.324 551 Y C -1.800 174.136 175.900 0.059 0.000 1.190 551 Y CA -2.544 55.643 58.100 0.145 0.000 1.215 551 Y CB 0.645 39.134 38.460 0.048 0.000 1.221 551 Y HN -0.102 nan 8.280 nan 0.000 0.486 552 P HA 0.231 nan 4.420 nan 0.000 0.276 552 P C -2.685 174.576 177.300 -0.066 0.000 1.261 552 P CA -1.662 61.443 63.100 0.008 0.000 0.800 552 P CB 0.035 31.769 31.700 0.056 0.000 1.066 553 P HA 0.004 nan 4.420 nan 0.000 0.266 553 P C 1.011 178.180 177.300 -0.218 0.000 1.195 553 P CA 0.032 62.833 63.100 -0.499 0.000 0.768 553 P CB 0.386 31.548 31.700 -0.896 0.000 0.838 554 K N 3.920 124.272 120.400 -0.080 0.000 2.089 554 K HA -0.260 4.060 4.320 -0.000 0.000 0.210 554 K C 1.927 178.594 176.600 0.112 0.000 1.048 554 K CA 1.844 58.206 56.287 0.125 0.000 0.926 554 K CB -0.174 32.333 32.500 0.012 0.000 0.714 554 K HN 0.318 nan 8.250 nan 0.000 0.448 555 R N -0.282 120.160 120.500 -0.096 0.000 2.119 555 R HA -0.182 4.158 4.340 -0.000 0.000 0.246 555 R C 1.795 178.155 176.300 0.101 0.000 1.146 555 R CA 2.132 58.214 56.100 -0.029 0.000 0.962 555 R CB -0.393 29.822 30.300 -0.142 0.000 0.863 555 R HN 0.303 nan 8.270 nan 0.000 0.442 556 W N -0.473 120.702 121.300 -0.209 0.000 2.699 556 W HA 0.024 4.683 4.660 -0.000 0.000 0.249 556 W C 1.281 177.664 176.519 -0.227 0.000 1.280 556 W CA 0.276 57.394 57.345 -0.378 0.000 1.345 556 W CB -0.424 28.650 29.460 -0.644 0.000 1.128 556 W HN 0.159 nan 8.180 nan 0.000 0.642 557 F N -0.383 119.717 119.950 0.249 0.000 2.500 557 F HA -0.015 4.512 4.527 -0.000 0.000 0.285 557 F C 2.410 178.287 175.800 0.128 0.000 1.088 557 F CA 1.633 59.781 58.000 0.246 0.000 1.432 557 F CB -0.834 38.254 39.000 0.146 0.000 1.131 557 F HN -0.242 nan 8.300 nan 0.000 0.582 558 T N -2.959 111.733 114.554 0.231 0.000 3.105 558 T HA 0.304 4.654 4.350 -0.000 0.000 0.253 558 T C 0.253 174.944 174.700 -0.015 0.000 1.047 558 T CA 0.016 62.148 62.100 0.054 0.000 0.944 558 T CB 0.050 68.976 68.868 0.096 0.000 1.016 558 T HN 0.117 nan 8.240 nan 0.000 0.544 559 E N -1.074 119.162 120.200 0.060 0.000 2.449 559 E HA 0.656 5.006 4.350 -0.000 0.000 0.278 559 E C -0.820 175.886 176.600 0.176 0.000 0.992 559 E CA -1.197 55.266 56.400 0.106 0.000 0.807 559 E CB 2.175 32.024 29.700 0.249 0.000 1.350 559 E HN 0.335 nan 8.360 nan 0.000 0.462 560 G N 0.172 108.926 108.800 -0.076 0.000 2.866 560 G HA2 0.492 4.452 3.960 -0.000 0.000 0.289 560 G HA3 0.492 4.452 3.960 -0.000 0.000 0.289 560 G C -1.096 173.296 174.900 -0.848 0.000 1.396 560 G CA -0.863 44.035 45.100 -0.336 0.000 0.848 560 G HN 0.386 nan 8.290 nan 0.000 0.515 561 L N 0.722 121.498 121.223 -0.745 0.000 2.506 561 L HA 0.098 4.437 4.340 -0.000 0.000 0.281 561 L C 1.232 177.937 176.870 -0.275 0.000 1.228 561 L CA -0.168 54.368 54.840 -0.506 0.000 0.850 561 L CB 0.625 42.541 42.059 -0.239 0.000 1.110 561 L HN 0.462 nan 8.230 nan 0.000 0.496 562 K N 1.029 121.330 120.400 -0.166 0.000 2.374 562 K HA 0.150 4.470 4.320 -0.000 0.000 0.196 562 K C 0.289 176.853 176.600 -0.060 0.000 1.023 562 K CA 0.213 56.445 56.287 -0.092 0.000 1.103 562 K CB 0.472 32.941 32.500 -0.050 0.000 0.848 562 K HN 0.722 nan 8.250 nan 0.000 0.528 563 S N -1.387 114.278 115.700 -0.059 0.000 2.688 563 S HA 0.697 5.166 4.470 -0.000 0.000 0.275 563 S C 0.124 174.628 174.600 -0.160 0.000 1.175 563 S CA -0.112 58.042 58.200 -0.077 0.000 0.818 563 S CB 1.809 64.990 63.200 -0.033 0.000 1.157 563 S HN 0.346 nan 8.310 nan 0.000 0.482 564 G N 1.053 109.743 108.800 -0.184 0.000 2.855 564 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.352 564 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.352 564 G C -1.860 172.823 174.900 -0.361 0.000 1.415 564 G CA -0.163 44.762 45.100 -0.292 0.000 0.871 564 G HN 0.783 nan 8.290 nan 0.000 0.543 565 P HA -0.041 nan 4.420 nan 0.000 0.228 565 P C 0.820 177.791 177.300 -0.548 0.000 1.151 565 P CA 1.425 64.272 63.100 -0.421 0.000 0.770 565 P CB -0.031 31.424 31.700 -0.409 0.000 0.786 566 H N -0.853 117.969 119.070 -0.413 0.000 2.520 566 H HA 0.165 4.721 4.556 -0.000 0.000 0.284 566 H C 0.777 175.947 175.328 -0.264 0.000 1.037 566 H CA -0.370 55.488 56.048 -0.317 0.000 1.168 566 H CB 0.140 29.682 29.762 -0.365 0.000 1.497 566 H HN 0.197 nan 8.280 nan 0.000 0.547 567 K N 0.530 120.813 120.400 -0.196 0.000 2.550 567 K HA -0.037 4.283 4.320 -0.000 0.000 0.280 567 K C 1.253 177.793 176.600 -0.100 0.000 0.987 567 K CA 1.267 57.464 56.287 -0.149 0.000 1.048 567 K CB 0.130 32.548 32.500 -0.138 0.000 0.879 567 K HN 0.402 nan 8.250 nan 0.000 0.491 568 G N 2.497 111.240 108.800 -0.095 0.000 2.304 568 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.252 568 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.252 568 G C -0.077 174.846 174.900 0.038 0.000 1.014 568 G CA 0.430 45.508 45.100 -0.038 0.000 0.619 568 G HN 0.700 nan 8.290 nan 0.000 0.525 569 E N 1.054 121.260 120.200 0.009 0.000 2.384 569 E HA 0.489 4.839 4.350 -0.000 0.000 0.266 569 E C 0.652 177.324 176.600 0.120 0.000 1.012 569 E CA 0.604 57.032 56.400 0.047 0.000 0.901 569 E CB 0.239 29.951 29.700 0.020 0.000 0.967 569 E HN 0.870 nan 8.360 nan 0.000 0.435 570 H N 0.490 119.591 119.070 0.052 0.000 3.015 570 H HA 0.531 5.087 4.556 -0.000 0.000 0.282 570 H C -1.138 174.250 175.328 0.100 0.000 1.508 570 H CA -1.048 55.078 56.048 0.128 0.000 1.209 570 H CB 0.474 30.349 29.762 0.187 0.000 1.869 570 H HN 0.271 nan 8.280 nan 0.000 0.591 571 L N 0.797 122.108 121.223 0.146 0.000 2.334 571 L HA 0.268 4.608 4.340 -0.000 0.000 0.277 571 L C -0.481 176.557 176.870 0.281 0.000 1.075 571 L CA -0.710 54.180 54.840 0.082 0.000 0.804 571 L CB 1.210 43.117 42.059 -0.253 0.000 1.174 571 L HN 0.674 nan 8.230 nan 0.000 0.438 572 D N 1.746 122.333 120.400 0.312 0.000 2.317 572 D HA 0.060 4.700 4.640 -0.000 0.000 0.234 572 D C 0.735 177.260 176.300 0.375 0.000 1.112 572 D CA -0.136 54.003 54.000 0.231 0.000 0.840 572 D CB 1.380 42.139 40.800 -0.068 0.000 1.078 572 D HN 0.573 nan 8.370 nan 0.000 0.486 573 E N 3.259 123.701 120.200 0.404 0.000 2.021 573 E HA -0.282 4.068 4.350 -0.000 0.000 0.200 573 E C 1.283 177.977 176.600 0.157 0.000 1.015 573 E CA 1.507 58.004 56.400 0.162 0.000 0.824 573 E CB 0.266 29.914 29.700 -0.087 0.000 0.762 573 E HN 0.374 nan 8.360 nan 0.000 0.454 574 K N 0.418 120.871 120.400 0.088 0.000 2.052 574 K HA -0.210 4.110 4.320 -0.000 0.000 0.215 574 K C 2.104 178.706 176.600 0.004 0.000 1.053 574 K CA 2.212 58.527 56.287 0.047 0.000 0.934 574 K CB -0.059 32.446 32.500 0.007 0.000 0.717 574 K HN 0.069 nan 8.250 nan 0.000 0.450 575 K N -0.680 119.649 120.400 -0.118 0.000 2.283 575 K HA -0.152 4.168 4.320 -0.000 0.000 0.202 575 K C 2.042 178.611 176.600 -0.052 0.000 1.048 575 K CA 1.064 57.171 56.287 -0.301 0.000 0.948 575 K CB -0.092 31.822 32.500 -0.976 0.000 0.742 575 K HN 0.295 nan 8.250 nan 0.000 0.458 576 Y N 2.166 122.496 120.300 0.050 0.000 2.231 576 Y HA -0.142 4.408 4.550 -0.000 0.000 0.294 576 Y C 1.978 177.908 175.900 0.051 0.000 1.120 576 Y CA 1.300 59.514 58.100 0.189 0.000 1.141 576 Y CB -0.196 38.427 38.460 0.271 0.000 1.022 576 Y HN 0.001 nan 8.280 nan 0.000 0.523 577 D N 0.316 120.782 120.400 0.111 0.000 2.158 577 D HA -0.225 4.415 4.640 -0.000 0.000 0.197 577 D C 1.833 178.118 176.300 -0.025 0.000 0.995 577 D CA 1.986 56.046 54.000 0.100 0.000 0.846 577 D CB -0.075 40.857 40.800 0.221 0.000 0.941 577 D HN 0.595 nan 8.370 nan 0.000 0.456 578 E N -0.933 119.254 120.200 -0.022 0.000 2.150 578 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 578 E C 1.932 178.491 176.600 -0.069 0.000 0.985 578 E CA 0.268 56.653 56.400 -0.026 0.000 0.814 578 E CB -0.029 29.662 29.700 -0.015 0.000 0.752 578 E HN 0.233 nan 8.360 nan 0.000 0.466 579 L N 0.759 121.908 121.223 -0.124 0.000 2.093 579 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 579 L C 2.077 178.786 176.870 -0.268 0.000 1.085 579 L CA 1.143 55.889 54.840 -0.156 0.000 0.755 579 L CB -0.355 41.611 42.059 -0.155 0.000 0.904 579 L HN 0.134 nan 8.230 nan 0.000 0.435 580 L N -1.293 119.665 121.223 -0.443 0.000 2.056 580 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 580 L C 2.483 179.084 176.870 -0.448 0.000 1.078 580 L CA 1.747 56.277 54.840 -0.516 0.000 0.749 580 L CB -0.793 40.974 42.059 -0.486 0.000 0.901 580 L HN 0.218 nan 8.230 nan 0.000 0.433 581 S N -0.629 114.954 115.700 -0.196 0.000 2.399 581 S HA -0.209 4.261 4.470 -0.000 0.000 0.231 581 S C 1.826 176.428 174.600 0.003 0.000 1.022 581 S CA 1.316 59.508 58.200 -0.014 0.000 0.983 581 S CB -0.244 62.987 63.200 0.051 0.000 0.803 581 S HN 0.554 nan 8.310 nan 0.000 0.480 582 E N 0.443 120.620 120.200 -0.039 0.000 2.152 582 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 582 E C 1.646 178.221 176.600 -0.041 0.000 0.983 582 E CA 0.909 57.294 56.400 -0.025 0.000 0.818 582 E CB -0.367 29.319 29.700 -0.025 0.000 0.758 582 E HN 0.631 nan 8.360 nan 0.000 0.467 583 Y N -0.429 119.747 120.300 -0.208 0.000 2.133 583 Y HA -0.234 4.316 4.550 -0.000 0.000 0.287 583 Y C 1.562 177.376 175.900 -0.144 0.000 1.134 583 Y CA 1.920 59.879 58.100 -0.235 0.000 1.133 583 Y CB -0.389 37.872 38.460 -0.332 0.000 0.987 583 Y HN 0.081 nan 8.280 nan 0.000 0.502 584 Y N 0.514 120.840 120.300 0.042 0.000 2.224 584 Y HA -0.194 4.356 4.550 -0.000 0.000 0.289 584 Y C 2.747 178.605 175.900 -0.070 0.000 1.146 584 Y CA 1.414 59.528 58.100 0.023 0.000 1.182 584 Y CB -1.069 37.532 38.460 0.236 0.000 0.983 584 Y HN 0.176 nan 8.280 nan 0.000 0.524 585 R N 0.554 121.115 120.500 0.100 0.000 2.073 585 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 585 R C 2.112 178.368 176.300 -0.073 0.000 1.134 585 R CA 1.743 57.861 56.100 0.030 0.000 0.952 585 R CB -0.487 29.825 30.300 0.021 0.000 0.850 585 R HN 0.308 nan 8.270 nan 0.000 0.433 586 I N 0.396 120.865 120.570 -0.167 0.000 2.226 586 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 586 I C 2.485 178.405 176.117 -0.330 0.000 1.100 586 I CA 1.215 62.371 61.300 -0.240 0.000 1.374 586 I CB -0.274 37.546 38.000 -0.300 0.000 1.057 586 I HN 0.201 nan 8.210 nan 0.000 0.413 587 R N 0.767 120.945 120.500 -0.536 0.000 2.236 587 R HA 0.025 4.365 4.340 -0.000 0.000 0.208 587 R C 1.014 177.095 176.300 -0.366 0.000 1.036 587 R CA 0.794 56.476 56.100 -0.695 0.000 1.001 587 R CB -0.002 29.396 30.300 -1.504 0.000 0.896 587 R HN 0.538 nan 8.270 nan 0.000 0.464 588 G N 0.780 109.496 108.800 -0.140 0.000 2.248 588 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.252 588 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.252 588 G C -0.718 174.412 174.900 0.384 0.000 1.085 588 G CA -0.188 44.970 45.100 0.096 0.000 0.845 588 G HN 0.124 nan 8.290 nan 0.000 0.494 589 W N 0.490 121.800 121.300 0.016 0.000 2.647 589 W HA 0.611 5.271 4.660 -0.000 0.000 0.353 589 W C 0.508 176.998 176.519 -0.048 0.000 1.080 589 W CA -1.153 56.169 57.345 -0.039 0.000 1.208 589 W CB 0.807 30.214 29.460 -0.088 0.000 1.396 589 W HN 0.355 nan 8.180 nan 0.000 0.573 590 D N -0.116 120.343 120.400 0.099 0.000 2.411 590 D HA 0.038 4.678 4.640 -0.000 0.000 0.251 590 D C 0.634 176.948 176.300 0.024 0.000 1.201 590 D CA -0.203 53.833 54.000 0.060 0.000 0.996 590 D CB 0.663 41.477 40.800 0.024 0.000 1.101 590 D HN 0.166 nan 8.370 nan 0.000 0.504 591 E N -0.817 119.448 120.200 0.108 0.000 2.533 591 E HA -0.075 4.275 4.350 -0.000 0.000 0.201 591 E C 1.017 177.699 176.600 0.136 0.000 1.097 591 E CA 0.315 56.832 56.400 0.194 0.000 0.887 591 E CB -0.173 29.631 29.700 0.172 0.000 0.855 591 E HN 0.440 nan 8.360 nan 0.000 0.540 592 R N -1.305 119.204 120.500 0.014 0.000 2.404 592 R HA 0.127 4.467 4.340 -0.000 0.000 0.237 592 R C 0.924 177.241 176.300 0.028 0.000 0.907 592 R CA 0.547 56.682 56.100 0.058 0.000 1.063 592 R CB 0.780 31.133 30.300 0.088 0.000 1.134 592 R HN 0.184 nan 8.270 nan 0.000 0.529 593 G N 1.453 110.032 108.800 -0.369 0.000 2.141 593 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 593 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 593 G C 0.050 174.771 174.900 -0.299 0.000 0.982 593 G CA -0.131 44.716 45.100 -0.421 0.000 0.662 593 G HN 0.191 nan 8.290 nan 0.000 0.527 594 I N 1.602 121.977 120.570 -0.324 0.000 2.392 594 I HA 0.357 4.527 4.170 -0.000 0.000 0.295 594 I C -1.930 173.858 176.117 -0.549 0.000 0.985 594 I CA -2.715 58.294 61.300 -0.484 0.000 1.221 594 I CB 1.757 39.593 38.000 -0.273 0.000 1.366 594 I HN -0.166 nan 8.210 nan 0.000 0.467 595 P HA 0.056 nan 4.420 nan 0.000 0.267 595 P C -1.012 176.176 177.300 -0.186 0.000 1.200 595 P CA -0.188 62.599 63.100 -0.522 0.000 0.772 595 P CB 0.452 31.886 31.700 -0.444 0.000 0.855 596 K N 2.170 122.554 120.400 -0.027 0.000 2.143 596 K HA 0.161 4.481 4.320 -0.000 0.000 0.272 596 K C 1.371 177.957 176.600 -0.024 0.000 1.001 596 K CA -0.474 55.808 56.287 -0.007 0.000 0.915 596 K CB 0.706 33.234 32.500 0.046 0.000 1.047 596 K HN 0.268 nan 8.250 nan 0.000 0.458 597 K N 1.382 121.764 120.400 -0.031 0.000 2.052 597 K HA -0.304 4.015 4.320 -0.000 0.000 0.215 597 K C 1.675 178.258 176.600 -0.029 0.000 1.053 597 K CA 2.084 58.349 56.287 -0.037 0.000 0.934 597 K CB -0.007 32.478 32.500 -0.024 0.000 0.717 597 K HN 0.508 nan 8.250 nan 0.000 0.450 598 E N 0.501 120.695 120.200 -0.010 0.000 2.160 598 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 598 E C 1.660 178.259 176.600 -0.002 0.000 0.991 598 E CA 1.797 58.194 56.400 -0.004 0.000 0.810 598 E CB -0.229 29.475 29.700 0.007 0.000 0.742 598 E HN 0.221 nan 8.360 nan 0.000 0.466 599 T N 0.422 114.982 114.554 0.011 0.000 2.812 599 T HA 0.003 4.353 4.350 -0.000 0.000 0.264 599 T C 1.805 176.503 174.700 -0.004 0.000 1.042 599 T CA 1.079 63.198 62.100 0.032 0.000 1.140 599 T CB -0.182 68.749 68.868 0.105 0.000 0.870 599 T HN 0.119 nan 8.240 nan 0.000 0.445 600 L N 0.733 121.927 121.223 -0.048 0.000 1.989 600 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 600 L C 2.683 179.483 176.870 -0.116 0.000 1.071 600 L CA 1.535 56.304 54.840 -0.119 0.000 0.749 600 L CB -0.527 41.425 42.059 -0.179 0.000 0.890 600 L HN 0.226 nan 8.230 nan 0.000 0.431 601 K N -0.377 119.974 120.400 -0.082 0.000 2.044 601 K HA -0.230 4.089 4.320 -0.000 0.000 0.210 601 K C 2.080 178.654 176.600 -0.044 0.000 1.049 601 K CA 1.306 57.557 56.287 -0.059 0.000 0.927 601 K CB -0.280 32.199 32.500 -0.034 0.000 0.713 601 K HN 0.198 nan 8.250 nan 0.000 0.443 602 E N 1.009 121.190 120.200 -0.031 0.000 2.171 602 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 602 E C 1.594 178.179 176.600 -0.026 0.000 0.997 602 E CA 1.147 57.535 56.400 -0.020 0.000 0.810 602 E CB 0.074 29.770 29.700 -0.007 0.000 0.738 602 E HN 0.322 nan 8.360 nan 0.000 0.467 603 L N 0.184 121.384 121.223 -0.039 0.000 2.693 603 L HA 0.063 4.403 4.340 -0.000 0.000 0.235 603 L C -0.329 176.499 176.870 -0.071 0.000 1.127 603 L CA -0.039 54.774 54.840 -0.046 0.000 0.914 603 L CB 0.322 42.365 42.059 -0.026 0.000 1.193 603 L HN -0.115 nan 8.230 nan 0.000 0.502 604 D N 0.562 120.921 120.400 -0.068 0.000 2.809 604 D HA -0.154 4.486 4.640 -0.000 0.000 0.234 604 D C 0.232 176.483 176.300 -0.080 0.000 1.111 604 D CA 0.658 54.635 54.000 -0.038 0.000 0.726 604 D CB -1.427 39.364 40.800 -0.014 0.000 1.089 604 D HN 0.304 nan 8.370 nan 0.000 0.436 605 L N -0.062 120.992 121.223 -0.283 0.000 3.218 605 L HA 0.151 4.490 4.340 -0.000 0.000 0.279 605 L C 1.115 177.503 176.870 -0.803 0.000 1.287 605 L CA -0.454 53.913 54.840 -0.788 0.000 1.024 605 L CB 0.426 42.133 42.059 -0.587 0.000 1.409 605 L HN -0.212 nan 8.230 nan 0.000 0.580 606 D N 1.090 121.258 120.400 -0.387 0.000 2.158 606 D HA -0.277 4.363 4.640 -0.000 0.000 0.197 606 D C 1.815 178.031 176.300 -0.140 0.000 0.995 606 D CA 1.591 55.484 54.000 -0.179 0.000 0.846 606 D CB -0.282 40.510 40.800 -0.012 0.000 0.941 606 D HN 0.527 nan 8.370 nan 0.000 0.456 607 F N -0.392 119.581 119.950 0.038 0.000 2.583 607 F HA 0.010 4.537 4.527 -0.000 0.000 0.297 607 F C 1.638 177.514 175.800 0.128 0.000 1.131 607 F CA 0.202 58.261 58.000 0.097 0.000 1.467 607 F CB -0.808 38.275 39.000 0.139 0.000 1.097 607 F HN -0.125 nan 8.300 nan 0.000 0.586 608 V N 1.022 120.738 119.914 -0.330 0.000 2.500 608 V HA -0.154 3.966 4.120 -0.000 0.000 0.243 608 V C 2.482 178.584 176.094 0.015 0.000 1.039 608 V CA 1.166 63.339 62.300 -0.211 0.000 1.053 608 V CB -0.370 31.072 31.823 -0.636 0.000 0.695 608 V HN 0.379 nan 8.190 nan 0.000 0.463 609 I N 1.387 121.919 120.570 -0.062 0.000 2.091 609 I HA -0.194 3.975 4.170 -0.000 0.000 0.239 609 I C 0.079 176.226 176.117 0.049 0.000 1.061 609 I CA 1.906 63.198 61.300 -0.014 0.000 1.317 609 I CB -1.888 36.093 38.000 -0.031 0.000 1.031 609 I HN 0.349 nan 8.210 nan 0.000 0.401 610 P HA -0.184 nan 4.420 nan 0.000 0.216 610 P C 1.358 178.720 177.300 0.104 0.000 1.150 610 P CA 1.647 64.801 63.100 0.089 0.000 0.837 610 P CB -0.122 31.642 31.700 0.107 0.000 0.786 611 E N -0.311 119.992 120.200 0.172 0.000 2.047 611 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 611 E C 2.280 178.957 176.600 0.128 0.000 0.987 611 E CA 0.859 57.365 56.400 0.178 0.000 0.799 611 E CB -0.405 29.510 29.700 0.357 0.000 0.752 611 E HN 0.282 nan 8.360 nan 0.000 0.449 612 L N 0.574 121.884 121.223 0.145 0.000 2.109 612 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 612 L C 2.321 179.210 176.870 0.033 0.000 1.086 612 L CA 0.811 55.696 54.840 0.074 0.000 0.760 612 L CB -0.223 41.856 42.059 0.033 0.000 0.910 612 L HN 0.089 nan 8.230 nan 0.000 0.437 613 E N 0.275 120.495 120.200 0.034 0.000 2.331 613 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 613 E C 1.872 178.485 176.600 0.021 0.000 1.008 613 E CA 0.898 57.311 56.400 0.021 0.000 0.843 613 E CB 0.179 29.893 29.700 0.023 0.000 0.761 613 E HN 0.349 nan 8.360 nan 0.000 0.507 614 K N -0.590 119.824 120.400 0.024 0.000 2.296 614 K HA -0.057 4.263 4.320 -0.000 0.000 0.200 614 K C 1.862 178.468 176.600 0.010 0.000 1.048 614 K CA 1.080 57.376 56.287 0.015 0.000 0.966 614 K CB 0.539 33.044 32.500 0.009 0.000 0.754 614 K HN 0.139 nan 8.250 nan 0.000 0.466 615 V N -2.684 117.238 119.914 0.012 0.000 3.379 615 V HA 0.126 4.246 4.120 -0.000 0.000 0.249 615 V C 0.651 176.760 176.094 0.024 0.000 1.184 615 V CA 0.359 62.669 62.300 0.016 0.000 1.106 615 V CB 0.331 32.163 31.823 0.016 0.000 0.826 615 V HN 0.169 nan 8.190 nan 0.000 0.465 616 T N -0.417 114.148 114.554 0.018 0.000 2.754 616 T HA 0.439 4.788 4.350 -0.000 0.000 0.296 616 T C -1.111 173.596 174.700 0.011 0.000 1.205 616 T CA -0.480 61.632 62.100 0.020 0.000 1.009 616 T CB 1.517 70.397 68.868 0.021 0.000 1.368 616 T HN 0.530 nan 8.240 nan 0.000 0.509 617 N N 1.148 119.855 118.700 0.012 0.000 2.434 617 N HA 0.392 5.132 4.740 -0.000 0.000 0.272 617 N C -0.892 174.617 175.510 -0.001 0.000 1.040 617 N CA -0.643 52.412 53.050 0.008 0.000 0.956 617 N CB 1.038 39.533 38.487 0.014 0.000 1.108 617 N HN 0.352 nan 8.380 nan 0.000 0.481 618 L N 1.008 122.227 121.223 -0.007 0.000 2.488 618 L HA 0.477 4.817 4.340 -0.000 0.000 0.249 618 L C 0.854 177.719 176.870 -0.008 0.000 1.151 618 L CA -0.284 54.544 54.840 -0.019 0.000 0.806 618 L CB -0.017 42.027 42.059 -0.026 0.000 1.261 618 L HN 0.694 nan 8.230 nan 0.000 0.484 619 E N 0.000 120.194 120.200 -0.011 0.000 2.725 619 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 619 E CA 0.000 56.402 56.400 0.004 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