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 1ziy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLTEGISIQS YDGHTFGALV GSPAKAPAPV IVIAQEIFGV NAFMRETVSW DATA SEQUENCE LVDQGYAAVC PDLYARQAPG TALDPQDERQ REQAYKLWQA FDMEAGVGDL DATA SEQUENCE EAAIRYARHQ PYSNGKVGLV GYXLGGALAF LVAAKGYVDR AVGYYGVGLE DATA SEQUENCE KQLNKVPEVK HPALFHMGGQ DHFVPAPSRQ LITEGFGANP LLQVHWYEEA DATA SEQUENCE GHSFARTSSS GYVASAAALA NERTLDFLAP LQS 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 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.314 55.300 0.023 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 L N 0.806 122.046 121.223 0.028 0.000 2.327 2 L HA 0.753 5.095 4.340 0.003 0.000 0.258 2 L C 0.103 176.987 176.870 0.024 0.000 1.024 2 L CA -0.935 53.922 54.840 0.029 0.000 0.825 2 L CB 2.477 44.559 42.059 0.039 0.000 1.386 2 L HN 0.841 nan 8.230 nan 0.000 0.417 3 T N 0.791 115.360 114.554 0.025 0.000 2.752 3 T HA 0.071 4.422 4.350 0.003 0.000 0.295 3 T C 0.044 174.758 174.700 0.024 0.000 0.923 3 T CA -0.138 61.979 62.100 0.028 0.000 1.112 3 T CB 0.360 69.253 68.868 0.041 0.000 0.884 3 T HN 0.440 nan 8.240 nan 0.000 0.525 4 E N 1.706 121.919 120.200 0.022 0.000 2.502 4 E HA 0.200 4.552 4.350 0.003 0.000 0.261 4 E C 1.352 177.963 176.600 0.018 0.000 0.974 4 E CA 0.934 57.344 56.400 0.018 0.000 0.936 4 E CB 0.075 29.785 29.700 0.017 0.000 0.926 4 E HN 0.966 nan 8.360 nan 0.000 0.459 5 G N 4.129 112.934 108.800 0.009 0.000 2.234 5 G HA2 -0.240 3.721 3.960 0.003 0.000 0.260 5 G HA3 -0.240 3.721 3.960 0.003 0.000 0.260 5 G C 0.269 175.170 174.900 0.001 0.000 0.987 5 G CA 0.106 45.209 45.100 0.006 0.000 0.625 5 G HN 0.499 nan 8.290 nan 0.000 0.532 6 I N 1.763 122.330 120.570 -0.006 0.000 2.396 6 I HA 0.544 4.716 4.170 0.003 0.000 0.289 6 I C 0.434 176.481 176.117 -0.117 0.000 1.056 6 I CA 0.161 61.438 61.300 -0.038 0.000 1.365 6 I CB 0.989 38.966 38.000 -0.038 0.000 1.407 6 I HN 0.154 nan 8.210 nan 0.000 0.509 7 S N 7.788 123.391 115.700 -0.162 0.000 2.672 7 S HA 0.688 5.159 4.470 0.003 0.000 0.291 7 S C -0.812 173.573 174.600 -0.358 0.000 1.145 7 S CA -0.561 57.491 58.200 -0.246 0.000 1.013 7 S CB 0.933 64.037 63.200 -0.159 0.000 1.017 7 S HN 0.395 nan 8.310 nan 0.000 0.487 8 I N 3.902 124.087 120.570 -0.643 0.000 2.433 8 I HA 0.422 4.594 4.170 0.003 0.000 0.292 8 I C 0.047 175.665 176.117 -0.833 0.000 1.001 8 I CA -0.632 60.212 61.300 -0.761 0.000 1.119 8 I CB 1.982 39.334 38.000 -1.080 0.000 1.289 8 I HN 0.559 nan 8.210 nan 0.000 0.438 9 Q N 4.273 123.819 119.800 -0.424 0.000 2.257 9 Q HA 0.366 4.708 4.340 0.003 0.000 0.255 9 Q C -0.628 175.290 176.000 -0.136 0.000 0.920 9 Q CA -0.172 55.465 55.803 -0.276 0.000 0.927 9 Q CB 1.724 30.380 28.738 -0.138 0.000 1.229 9 Q HN 0.730 nan 8.270 nan 0.000 0.433 10 S N 1.527 117.204 115.700 -0.038 0.000 2.713 10 S HA 0.139 4.611 4.470 0.003 0.000 0.277 10 S C 0.763 175.357 174.600 -0.011 0.000 1.168 10 S CA -0.409 57.860 58.200 0.114 0.000 0.994 10 S CB 0.224 63.569 63.200 0.241 0.000 1.054 10 S HN 0.686 nan 8.310 nan 0.000 0.555 11 Y N 0.924 121.283 120.300 0.099 0.000 2.241 11 Y HA -0.116 4.436 4.550 0.003 0.000 0.286 11 Y C 1.397 177.333 175.900 0.061 0.000 1.166 11 Y CA 1.829 59.966 58.100 0.062 0.000 1.203 11 Y CB -0.680 37.813 38.460 0.055 0.000 0.977 11 Y HN 0.580 nan 8.280 nan 0.000 0.529 12 D N -1.238 118.806 120.400 -0.593 0.000 2.368 12 D HA 0.230 4.872 4.640 0.003 0.000 0.218 12 D C 1.767 177.973 176.300 -0.158 0.000 1.112 12 D CA 0.309 54.128 54.000 -0.302 0.000 0.834 12 D CB 0.124 40.681 40.800 -0.405 0.000 0.953 12 D HN 0.572 nan 8.370 nan 0.000 0.505 13 G N 0.588 109.309 108.800 -0.132 0.000 2.217 13 G HA2 -0.322 3.640 3.960 0.003 0.000 0.246 13 G HA3 -0.322 3.640 3.960 0.003 0.000 0.246 13 G C 0.204 175.072 174.900 -0.053 0.000 0.990 13 G CA 0.301 45.358 45.100 -0.072 0.000 0.627 13 G HN 0.773 nan 8.290 nan 0.000 0.522 14 H N 1.985 120.980 119.070 -0.126 0.000 2.897 14 H HA 0.509 5.066 4.556 0.002 0.000 0.347 14 H C 0.855 176.178 175.328 -0.009 0.000 1.068 14 H CA 1.308 57.326 56.048 -0.050 0.000 1.426 14 H CB 0.603 30.337 29.762 -0.048 0.000 1.410 14 H HN 0.472 nan 8.280 nan 0.000 0.597 15 T N 3.169 117.317 114.554 -0.678 0.000 2.918 15 T HA 0.595 4.947 4.350 0.003 0.000 0.286 15 T C -0.716 173.616 174.700 -0.613 0.000 1.026 15 T CA -0.744 61.012 62.100 -0.574 0.000 1.031 15 T CB 1.254 69.922 68.868 -0.332 0.000 1.046 15 T HN 0.579 nan 8.240 nan 0.000 0.479 16 F N -1.389 118.345 119.950 -0.360 0.000 2.645 16 F HA 0.849 5.378 4.527 0.002 0.000 0.310 16 F C 0.056 175.779 175.800 -0.128 0.000 1.102 16 F CA -1.407 56.480 58.000 -0.188 0.000 0.952 16 F CB 0.848 39.824 39.000 -0.040 0.000 1.326 16 F HN 0.918 nan 8.300 nan 0.000 0.456 17 G N -0.047 108.839 108.800 0.142 0.000 2.557 17 G HA2 0.777 4.739 3.960 0.003 0.000 0.292 17 G HA3 0.777 4.739 3.960 0.003 0.000 0.292 17 G C -1.456 173.517 174.900 0.121 0.000 1.237 17 G CA -0.392 44.737 45.100 0.050 0.000 0.978 17 G HN 1.421 nan 8.290 nan 0.000 0.498 18 A N -1.263 121.579 122.820 0.036 0.000 2.605 18 A HA 0.568 4.889 4.320 0.003 0.000 0.294 18 A C -1.641 175.960 177.584 0.028 0.000 1.062 18 A CA -0.578 51.485 52.037 0.044 0.000 0.682 18 A CB 1.628 20.623 19.000 -0.008 0.000 1.278 18 A HN 1.251 nan 8.150 nan 0.000 0.410 19 L N 1.705 122.948 121.223 0.033 0.000 2.264 19 L HA 0.714 5.056 4.340 0.003 0.000 0.289 19 L C -0.926 175.968 176.870 0.041 0.000 1.044 19 L CA -0.104 54.753 54.840 0.028 0.000 0.807 19 L CB 1.229 43.295 42.059 0.012 0.000 1.192 19 L HN 0.484 nan 8.230 nan 0.000 0.425 20 V N 4.240 124.186 119.914 0.053 0.000 2.604 20 V HA 0.777 4.899 4.120 0.003 0.000 0.305 20 V C 0.353 176.468 176.094 0.035 0.000 1.043 20 V CA -0.421 61.928 62.300 0.082 0.000 0.888 20 V CB 1.698 33.616 31.823 0.160 0.000 0.995 20 V HN 0.887 nan 8.190 nan 0.000 0.429 21 G N 2.211 111.011 108.800 -0.000 0.000 2.605 21 G HA2 0.547 4.509 3.960 0.003 0.000 0.304 21 G HA3 0.547 4.509 3.960 0.003 0.000 0.304 21 G C -0.103 174.689 174.900 -0.181 0.000 1.333 21 G CA -0.301 44.763 45.100 -0.060 0.000 0.973 21 G HN 0.840 nan 8.290 nan 0.000 0.507 22 S N 3.507 119.057 115.700 -0.250 0.000 2.585 22 S HA 0.601 5.073 4.470 0.003 0.000 0.273 22 S C -2.014 172.355 174.600 -0.384 0.000 1.339 22 S CA -0.992 56.878 58.200 -0.549 0.000 1.028 22 S CB 1.701 64.690 63.200 -0.353 0.000 0.906 22 S HN 0.502 nan 8.310 nan 0.000 0.528 23 P HA 0.323 nan 4.420 nan 0.000 0.276 23 P C 0.613 177.827 177.300 -0.143 0.000 1.244 23 P CA -0.514 62.451 63.100 -0.225 0.000 0.801 23 P CB 0.953 32.537 31.700 -0.193 0.000 1.006 24 A N 1.887 124.645 122.820 -0.104 0.000 1.940 24 A HA -0.134 4.188 4.320 0.003 0.000 0.219 24 A C 1.075 178.622 177.584 -0.062 0.000 1.176 24 A CA 1.839 53.833 52.037 -0.073 0.000 0.631 24 A CB -0.662 18.300 19.000 -0.063 0.000 0.814 24 A HN 0.585 nan 8.150 nan 0.000 0.446 25 K N -1.496 118.863 120.400 -0.069 0.000 2.535 25 K HA 0.629 4.951 4.320 0.003 0.000 0.250 25 K C -0.966 175.608 176.600 -0.044 0.000 0.948 25 K CA 0.266 56.523 56.287 -0.050 0.000 0.796 25 K CB 1.626 34.096 32.500 -0.049 0.000 1.216 25 K HN 0.272 nan 8.250 nan 0.000 0.432 26 A N 4.275 127.086 122.820 -0.014 0.000 2.306 26 A HA 0.760 5.081 4.320 0.003 0.000 0.330 26 A C -2.200 175.390 177.584 0.010 0.000 1.146 26 A CA -1.322 50.728 52.037 0.021 0.000 0.827 26 A CB 0.007 19.052 19.000 0.075 0.000 1.178 26 A HN 0.725 nan 8.150 nan 0.000 0.490 27 P HA 0.596 nan 4.420 nan 0.000 0.277 27 P C -0.719 176.588 177.300 0.011 0.000 1.240 27 P CA -0.044 63.075 63.100 0.033 0.000 0.798 27 P CB 1.559 33.268 31.700 0.015 0.000 0.979 28 A N 2.671 125.514 122.820 0.039 0.000 2.572 28 A HA 0.714 5.036 4.320 0.003 0.000 0.295 28 A C -2.944 174.669 177.584 0.048 0.000 1.072 28 A CA -1.596 50.438 52.037 -0.006 0.000 0.691 28 A CB 1.345 20.315 19.000 -0.049 0.000 1.291 28 A HN 0.367 nan 8.150 nan 0.000 0.404 29 P HA 0.376 nan 4.420 nan 0.000 0.272 29 P C -0.598 176.809 177.300 0.178 0.000 1.230 29 P CA -0.039 63.125 63.100 0.106 0.000 0.788 29 P CB 0.787 32.568 31.700 0.136 0.000 0.949 30 V N 3.217 123.223 119.914 0.153 0.000 2.459 30 V HA 0.331 4.452 4.120 0.003 0.000 0.295 30 V C 0.354 176.511 176.094 0.104 0.000 1.029 30 V CA -0.652 61.744 62.300 0.160 0.000 0.874 30 V CB 1.515 33.441 31.823 0.172 0.000 0.985 30 V HN 0.348 nan 8.190 nan 0.000 0.438 31 I N 4.763 125.371 120.570 0.064 0.000 2.339 31 I HA 0.360 4.532 4.170 0.003 0.000 0.290 31 I C -0.011 176.123 176.117 0.028 0.000 0.994 31 I CA -0.558 60.734 61.300 -0.013 0.000 1.191 31 I CB 1.615 39.517 38.000 -0.163 0.000 1.343 31 I HN 0.257 nan 8.210 nan 0.000 0.458 32 V N 7.762 127.703 119.914 0.045 0.000 2.461 32 V HA 0.325 4.447 4.120 0.003 0.000 0.275 32 V C 0.415 176.538 176.094 0.049 0.000 1.047 32 V CA -0.357 61.982 62.300 0.066 0.000 0.955 32 V CB 1.422 33.295 31.823 0.084 0.000 0.988 32 V HN 0.422 nan 8.190 nan 0.000 0.471 33 I N 4.475 125.075 120.570 0.051 0.000 2.321 33 I HA 0.569 4.741 4.170 0.003 0.000 0.291 33 I C 0.508 176.657 176.117 0.053 0.000 0.998 33 I CA -0.290 61.049 61.300 0.064 0.000 1.227 33 I CB 1.541 39.579 38.000 0.063 0.000 1.368 33 I HN 0.639 nan 8.210 nan 0.000 0.466 34 A N 6.873 129.730 122.820 0.062 0.000 2.252 34 A HA 0.436 4.758 4.320 0.003 0.000 0.309 34 A C 0.125 177.732 177.584 0.038 0.000 1.285 34 A CA -0.637 51.414 52.037 0.024 0.000 0.900 34 A CB 0.259 19.273 19.000 0.023 0.000 1.157 34 A HN 0.792 nan 8.150 nan 0.000 0.536 35 Q N 2.497 122.267 119.800 -0.050 0.000 2.540 35 Q HA 0.168 4.510 4.340 0.003 0.000 0.256 35 Q C -0.203 175.719 176.000 -0.131 0.000 1.084 35 Q CA 0.216 55.969 55.803 -0.082 0.000 0.956 35 Q CB 0.675 29.285 28.738 -0.214 0.000 1.303 35 Q HN 0.720 nan 8.270 nan 0.000 0.509 36 E N 0.389 120.538 120.200 -0.086 0.000 4.126 36 E HA 0.088 4.439 4.350 0.003 0.000 0.314 36 E C 0.977 177.281 176.600 -0.493 0.000 1.438 36 E CA -0.046 56.239 56.400 -0.193 0.000 1.682 36 E CB 0.215 29.926 29.700 0.018 0.000 1.454 36 E HN 0.756 nan 8.360 nan 0.000 0.810 37 I N -2.063 118.044 120.570 -0.772 0.000 3.749 37 I HA 0.108 4.280 4.170 0.003 0.000 0.314 37 I C 0.231 175.948 176.117 -0.667 0.000 1.267 37 I CA 0.351 61.156 61.300 -0.825 0.000 1.169 37 I CB -0.074 37.298 38.000 -1.047 0.000 1.009 37 I HN 0.195 nan 8.210 nan 0.000 0.444 38 F N 2.282 122.166 119.950 -0.109 0.000 2.639 38 F HA 0.600 5.128 4.527 0.002 0.000 0.302 38 F C 1.538 177.366 175.800 0.046 0.000 1.097 38 F CA 0.104 58.108 58.000 0.007 0.000 1.294 38 F CB -0.182 38.788 39.000 -0.050 0.000 1.027 38 F HN 0.310 nan 8.300 nan 0.000 0.550 39 G N 0.201 109.018 108.800 0.028 0.000 2.632 39 G HA2 -0.188 3.774 3.960 0.003 0.000 0.224 39 G HA3 -0.188 3.774 3.960 0.003 0.000 0.224 39 G C -0.780 174.119 174.900 -0.001 0.000 1.341 39 G CA -0.634 44.477 45.100 0.019 0.000 0.880 39 G HN 0.009 nan 8.290 nan 0.000 0.566 40 V N 2.936 122.867 119.914 0.028 0.000 2.258 40 V HA 0.445 4.567 4.120 0.003 0.000 0.258 40 V C 0.640 176.753 176.094 0.032 0.000 1.121 40 V CA 0.138 62.447 62.300 0.014 0.000 0.942 40 V CB -0.170 31.661 31.823 0.013 0.000 1.170 40 V HN 1.033 nan 8.190 nan 0.000 0.487 41 N N 4.202 122.924 118.700 0.036 0.000 2.992 41 N HA 0.515 5.257 4.740 0.003 0.000 0.338 41 N C 1.334 176.844 175.510 -0.000 0.000 1.376 41 N CA -0.105 52.965 53.050 0.032 0.000 0.778 41 N CB 0.788 39.311 38.487 0.061 0.000 1.232 41 N HN 0.195 nan 8.380 nan 0.000 0.581 42 A N -0.473 122.343 122.820 -0.006 0.000 1.908 42 A HA -0.091 4.231 4.320 0.003 0.000 0.218 42 A C 1.953 179.517 177.584 -0.034 0.000 1.181 42 A CA 1.426 53.447 52.037 -0.026 0.000 0.627 42 A CB -1.223 17.756 19.000 -0.034 0.000 0.818 42 A HN 0.567 nan 8.150 nan 0.000 0.445 43 F N -0.136 119.723 119.950 -0.153 0.000 2.206 43 F HA -0.099 4.430 4.527 0.002 0.000 0.298 43 F C 2.202 177.884 175.800 -0.196 0.000 1.090 43 F CA 1.478 59.352 58.000 -0.209 0.000 1.323 43 F CB -0.185 38.660 39.000 -0.258 0.000 1.028 43 F HN 0.074 nan 8.300 nan 0.000 0.492 44 M N 0.054 119.505 119.600 -0.249 0.000 2.117 44 M HA -0.182 4.299 4.480 0.003 0.000 0.262 44 M C 2.396 178.556 176.300 -0.233 0.000 1.065 44 M CA 1.439 56.574 55.300 -0.274 0.000 1.114 44 M CB -1.335 31.204 32.600 -0.101 0.000 1.361 44 M HN 0.185 nan 8.290 nan 0.000 0.408 45 R N 0.619 121.027 120.500 -0.154 0.000 2.096 45 R HA -0.161 4.180 4.340 0.003 0.000 0.235 45 R C 1.810 178.029 176.300 -0.134 0.000 1.127 45 R CA 1.579 57.614 56.100 -0.108 0.000 0.968 45 R CB -0.034 30.226 30.300 -0.068 0.000 0.861 45 R HN 0.464 nan 8.270 nan 0.000 0.440 46 E N -0.918 119.158 120.200 -0.206 0.000 2.106 46 E HA -0.108 4.244 4.350 0.003 0.000 0.192 46 E C 1.749 178.220 176.600 -0.214 0.000 0.984 46 E CA 1.708 57.987 56.400 -0.202 0.000 0.806 46 E CB 0.080 29.636 29.700 -0.241 0.000 0.750 46 E HN 0.339 nan 8.360 nan 0.000 0.458 47 T N 0.419 114.737 114.554 -0.394 0.000 2.857 47 T HA -0.079 4.272 4.350 0.003 0.000 0.266 47 T C 2.048 176.755 174.700 0.011 0.000 1.048 47 T CA 0.610 62.578 62.100 -0.221 0.000 1.139 47 T CB -0.042 68.527 68.868 -0.499 0.000 0.874 47 T HN -0.029 nan 8.240 nan 0.000 0.455 48 V N 1.437 121.314 119.914 -0.062 0.000 2.295 48 V HA -0.171 3.950 4.120 0.003 0.000 0.246 48 V C 2.746 178.846 176.094 0.010 0.000 1.049 48 V CA 2.009 64.297 62.300 -0.020 0.000 1.024 48 V CB -0.772 31.031 31.823 -0.034 0.000 0.648 48 V HN 0.523 nan 8.190 nan 0.000 0.447 49 S N -1.189 114.520 115.700 0.014 0.000 2.370 49 S HA -0.289 4.183 4.470 0.003 0.000 0.226 49 S C 1.704 176.371 174.600 0.112 0.000 1.033 49 S CA 2.176 60.399 58.200 0.038 0.000 1.011 49 S CB -0.521 62.691 63.200 0.019 0.000 0.852 49 S HN 0.727 nan 8.310 nan 0.000 0.457 50 W N 1.872 123.134 121.300 -0.063 0.000 2.354 50 W HA -0.013 4.648 4.660 0.002 0.000 0.315 50 W C 1.828 178.361 176.519 0.023 0.000 1.206 50 W CA 1.423 58.751 57.345 -0.027 0.000 1.290 50 W CB -0.831 28.595 29.460 -0.056 0.000 1.152 50 W HN 0.315 nan 8.180 nan 0.000 0.489 51 L N -0.050 121.094 121.223 -0.130 0.000 2.083 51 L HA -0.217 4.125 4.340 0.003 0.000 0.209 51 L C 2.315 179.168 176.870 -0.028 0.000 1.083 51 L CA 1.103 55.779 54.840 -0.274 0.000 0.752 51 L CB -1.134 40.778 42.059 -0.245 0.000 0.899 51 L HN -0.131 nan 8.230 nan 0.000 0.433 52 V N -0.390 119.514 119.914 -0.018 0.000 2.427 52 V HA -0.267 3.855 4.120 0.003 0.000 0.248 52 V C 1.938 178.012 176.094 -0.033 0.000 1.051 52 V CA 1.741 64.026 62.300 -0.024 0.000 1.048 52 V CB -0.451 31.350 31.823 -0.036 0.000 0.666 52 V HN 0.415 nan 8.190 nan 0.000 0.456 53 D N -0.478 119.914 120.400 -0.012 0.000 2.263 53 D HA -0.105 4.537 4.640 0.003 0.000 0.208 53 D C 1.997 178.280 176.300 -0.028 0.000 0.971 53 D CA 0.808 54.809 54.000 0.001 0.000 0.867 53 D CB -0.062 40.777 40.800 0.064 0.000 0.929 53 D HN 0.388 nan 8.370 nan 0.000 0.492 54 Q N -0.768 118.990 119.800 -0.070 0.000 2.220 54 Q HA 0.270 4.612 4.340 0.003 0.000 0.205 54 Q C 1.010 176.902 176.000 -0.180 0.000 0.865 54 Q CA 0.201 55.952 55.803 -0.087 0.000 0.960 54 Q CB 1.030 29.687 28.738 -0.135 0.000 1.097 54 Q HN 0.277 nan 8.270 nan 0.000 0.493 55 G N 0.376 109.063 108.800 -0.187 0.000 2.131 55 G HA2 -0.266 3.696 3.960 0.003 0.000 0.223 55 G HA3 -0.266 3.696 3.960 0.003 0.000 0.223 55 G C -0.349 174.282 174.900 -0.447 0.000 0.990 55 G CA -0.134 44.781 45.100 -0.308 0.000 0.671 55 G HN 0.276 nan 8.290 nan 0.000 0.521 56 Y N -0.060 120.160 120.300 -0.132 0.000 2.631 56 Y HA 0.769 5.321 4.550 0.003 0.000 0.328 56 Y C 0.762 176.586 175.900 -0.127 0.000 1.118 56 Y CA -0.248 57.782 58.100 -0.116 0.000 1.206 56 Y CB 1.383 39.765 38.460 -0.130 0.000 1.337 56 Y HN 0.406 nan 8.280 nan 0.000 0.515 57 A N 0.501 123.367 122.820 0.077 0.000 2.256 57 A HA 0.918 5.240 4.320 0.003 0.000 0.318 57 A C -1.014 176.590 177.584 0.033 0.000 1.103 57 A CA -0.134 51.873 52.037 -0.049 0.000 0.860 57 A CB 0.494 19.436 19.000 -0.096 0.000 1.182 57 A HN 0.874 nan 8.150 nan 0.000 0.501 58 A N -0.317 122.508 122.820 0.009 0.000 2.515 58 A HA 0.668 4.989 4.320 0.003 0.000 0.298 58 A C -1.444 176.187 177.584 0.078 0.000 1.059 58 A CA -0.403 51.657 52.037 0.039 0.000 0.698 58 A CB 1.551 20.552 19.000 0.003 0.000 1.289 58 A HN 1.336 nan 8.150 nan 0.000 0.404 59 V N 0.685 120.656 119.914 0.095 0.000 2.525 59 V HA 0.446 4.567 4.120 0.003 0.000 0.299 59 V C -0.774 175.365 176.094 0.075 0.000 1.034 59 V CA -0.564 61.806 62.300 0.116 0.000 0.863 59 V CB 1.369 33.303 31.823 0.185 0.000 0.999 59 V HN 1.115 nan 8.190 nan 0.000 0.423 60 C N 9.078 128.409 119.300 0.052 0.000 2.294 60 C HA 0.644 5.106 4.460 0.003 0.000 0.319 60 C C -2.375 172.639 174.990 0.040 0.000 1.164 60 C CA -1.937 57.100 59.018 0.032 0.000 1.497 60 C CB 0.842 28.585 27.740 0.005 0.000 2.061 60 C HN 0.726 nan 8.230 nan 0.000 0.438 61 P HA 0.152 nan 4.420 nan 0.000 0.275 61 P C -0.757 176.537 177.300 -0.009 0.000 1.228 61 P CA 0.195 63.340 63.100 0.075 0.000 0.786 61 P CB 0.792 32.511 31.700 0.032 0.000 0.927 62 D N 2.380 122.819 120.400 0.066 0.000 2.470 62 D HA 0.073 4.715 4.640 0.003 0.000 0.226 62 D C 1.173 177.456 176.300 -0.029 0.000 1.196 62 D CA 0.023 54.056 54.000 0.055 0.000 0.979 62 D CB -0.572 40.323 40.800 0.158 0.000 1.059 62 D HN 0.215 nan 8.370 nan 0.000 0.515 63 L N 2.399 123.562 121.223 -0.099 0.000 2.376 63 L HA -0.119 4.223 4.340 0.003 0.000 0.219 63 L C 0.980 178.012 176.870 0.270 0.000 1.133 63 L CA 0.546 55.371 54.840 -0.024 0.000 0.816 63 L CB -0.247 41.792 42.059 -0.033 0.000 0.933 63 L HN 0.426 nan 8.230 nan 0.000 0.449 64 Y N -0.195 120.195 120.300 0.150 0.000 2.471 64 Y HA 0.187 4.739 4.550 0.003 0.000 0.286 64 Y C 2.225 178.207 175.900 0.137 0.000 1.188 64 Y CA -0.408 57.795 58.100 0.172 0.000 1.286 64 Y CB -0.813 37.715 38.460 0.114 0.000 1.072 64 Y HN 0.057 nan 8.280 nan 0.000 0.517 65 A N 0.143 123.149 122.820 0.310 0.000 2.070 65 A HA -0.178 4.144 4.320 0.003 0.000 0.220 65 A C 2.282 180.031 177.584 0.275 0.000 1.159 65 A CA 1.134 53.360 52.037 0.316 0.000 0.656 65 A CB -0.344 18.900 19.000 0.408 0.000 0.800 65 A HN 0.390 nan 8.150 nan 0.000 0.453 66 R N -0.956 119.579 120.500 0.058 0.000 2.235 66 R HA -0.049 4.293 4.340 0.003 0.000 0.213 66 R C 1.894 178.178 176.300 -0.027 0.000 1.059 66 R CA 1.392 57.384 56.100 -0.180 0.000 0.997 66 R CB -0.073 30.006 30.300 -0.368 0.000 0.884 66 R HN 0.700 nan 8.270 nan 0.000 0.462 67 Q N -1.195 118.635 119.800 0.050 0.000 2.511 67 Q HA 0.285 4.627 4.340 0.003 0.000 0.236 67 Q C -0.220 175.802 176.000 0.037 0.000 0.893 67 Q CA 0.383 56.201 55.803 0.025 0.000 0.947 67 Q CB 1.212 29.948 28.738 -0.003 0.000 1.110 67 Q HN 0.156 nan 8.270 nan 0.000 0.591 68 A N 1.708 124.572 122.820 0.073 0.000 2.686 68 A HA 0.436 4.758 4.320 0.003 0.000 0.299 68 A C -2.814 174.844 177.584 0.123 0.000 1.151 68 A CA -1.089 50.991 52.037 0.071 0.000 0.851 68 A CB 0.560 19.575 19.000 0.024 0.000 1.448 68 A HN -0.118 nan 8.150 nan 0.000 0.404 69 P HA 0.334 nan 4.420 nan 0.000 0.265 69 P C 1.175 178.547 177.300 0.120 0.000 1.193 69 P CA 2.061 65.248 63.100 0.145 0.000 0.765 69 P CB 0.787 32.561 31.700 0.124 0.000 0.823 70 G N 1.441 110.318 108.800 0.128 0.000 2.143 70 G HA2 -0.225 3.737 3.960 0.003 0.000 0.248 70 G HA3 -0.225 3.737 3.960 0.003 0.000 0.248 70 G C 0.232 175.198 174.900 0.110 0.000 0.991 70 G CA -0.038 45.124 45.100 0.103 0.000 0.689 70 G HN 0.581 nan 8.290 nan 0.000 0.522 71 T N 0.884 115.527 114.554 0.149 0.000 2.834 71 T HA 0.552 4.904 4.350 0.003 0.000 0.298 71 T C 0.450 175.250 174.700 0.166 0.000 0.966 71 T CA 0.992 63.188 62.100 0.161 0.000 1.141 71 T CB 1.457 70.451 68.868 0.210 0.000 0.905 71 T HN 1.585 nan 8.240 nan 0.000 0.535 72 A N 4.595 127.495 122.820 0.133 0.000 2.599 72 A HA 0.605 4.926 4.320 0.003 0.000 0.281 72 A C -0.659 176.991 177.584 0.111 0.000 1.137 72 A CA -0.696 51.410 52.037 0.116 0.000 0.767 72 A CB 0.514 19.557 19.000 0.073 0.000 1.266 72 A HN 0.778 nan 8.150 nan 0.000 0.420 73 L N 1.559 122.879 121.223 0.160 0.000 2.309 73 L HA 0.440 4.782 4.340 0.003 0.000 0.282 73 L C -0.246 176.650 176.870 0.043 0.000 1.036 73 L CA -0.922 54.009 54.840 0.151 0.000 0.806 73 L CB 1.683 43.913 42.059 0.285 0.000 1.220 73 L HN 0.641 nan 8.230 nan 0.000 0.429 74 D N 4.934 125.322 120.400 -0.020 0.000 2.336 74 D HA 0.114 4.756 4.640 0.003 0.000 0.249 74 D C -1.544 174.611 176.300 -0.241 0.000 1.213 74 D CA -1.988 51.938 54.000 -0.124 0.000 0.870 74 D CB 1.411 42.170 40.800 -0.069 0.000 1.076 74 D HN 0.239 nan 8.370 nan 0.000 0.483 75 P HA -0.098 nan 4.420 nan 0.000 0.239 75 P C 0.586 177.691 177.300 -0.326 0.000 1.184 75 P CA 0.776 63.402 63.100 -0.789 0.000 0.760 75 P CB 0.392 31.294 31.700 -1.330 0.000 0.884 76 Q N -0.834 118.838 119.800 -0.212 0.000 2.319 76 Q HA 0.063 4.405 4.340 0.003 0.000 0.202 76 Q C 0.575 176.542 176.000 -0.055 0.000 0.896 76 Q CA 0.016 55.751 55.803 -0.114 0.000 0.942 76 Q CB 0.366 29.040 28.738 -0.107 0.000 1.083 76 Q HN 0.281 nan 8.270 nan 0.000 0.510 77 D N 0.716 121.089 120.400 -0.044 0.000 2.274 77 D HA 0.036 4.677 4.640 0.003 0.000 0.239 77 D C 0.188 176.513 176.300 0.040 0.000 1.104 77 D CA 0.032 54.032 54.000 0.000 0.000 0.840 77 D CB 1.205 42.008 40.800 0.004 0.000 1.100 77 D HN 0.077 nan 8.370 nan 0.000 0.477 78 E N 2.618 122.849 120.200 0.053 0.000 2.085 78 E HA -0.213 4.138 4.350 0.003 0.000 0.194 78 E C 1.790 178.454 176.600 0.107 0.000 0.994 78 E CA 1.224 57.677 56.400 0.088 0.000 0.801 78 E CB 0.313 30.055 29.700 0.070 0.000 0.743 78 E HN 0.481 nan 8.360 nan 0.000 0.453 79 R N 0.616 121.164 120.500 0.081 0.000 2.096 79 R HA -0.133 4.208 4.340 0.003 0.000 0.235 79 R C 2.384 178.745 176.300 0.103 0.000 1.127 79 R CA 1.256 57.406 56.100 0.083 0.000 0.968 79 R CB -0.194 30.141 30.300 0.058 0.000 0.861 79 R HN 0.218 nan 8.270 nan 0.000 0.440 80 Q N 0.227 120.087 119.800 0.100 0.000 2.123 80 Q HA -0.061 4.280 4.340 0.003 0.000 0.199 80 Q C 2.110 178.223 176.000 0.189 0.000 0.966 80 Q CA 1.095 56.971 55.803 0.122 0.000 0.845 80 Q CB 0.030 28.824 28.738 0.094 0.000 0.907 80 Q HN 0.323 nan 8.270 nan 0.000 0.439 81 R N 0.694 121.323 120.500 0.215 0.000 2.096 81 R HA -0.133 4.209 4.340 0.003 0.000 0.235 81 R C 1.984 178.476 176.300 0.321 0.000 1.127 81 R CA 1.203 57.486 56.100 0.305 0.000 0.968 81 R CB -0.055 30.445 30.300 0.332 0.000 0.861 81 R HN 0.331 nan 8.270 nan 0.000 0.440 82 E N 0.400 120.775 120.200 0.291 0.000 2.077 82 E HA -0.251 4.101 4.350 0.003 0.000 0.193 82 E C 2.026 178.761 176.600 0.225 0.000 0.989 82 E CA 1.138 57.714 56.400 0.293 0.000 0.800 82 E CB 0.034 29.840 29.700 0.177 0.000 0.746 82 E HN 0.151 nan 8.360 nan 0.000 0.452 83 Q N 0.848 120.738 119.800 0.150 0.000 2.119 83 Q HA -0.106 4.236 4.340 0.003 0.000 0.201 83 Q C 1.875 177.910 176.000 0.059 0.000 0.972 83 Q CA 1.685 57.542 55.803 0.090 0.000 0.847 83 Q CB -0.250 28.529 28.738 0.070 0.000 0.903 83 Q HN 0.234 nan 8.270 nan 0.000 0.433 84 A N -0.692 122.168 122.820 0.066 0.000 1.902 84 A HA -0.169 4.153 4.320 0.003 0.000 0.217 84 A C 1.774 179.329 177.584 -0.048 0.000 1.181 84 A CA 1.461 53.457 52.037 -0.070 0.000 0.623 84 A CB -0.941 17.905 19.000 -0.256 0.000 0.818 84 A HN 0.537 nan 8.150 nan 0.000 0.443 85 Y N -0.040 120.333 120.300 0.121 0.000 2.242 85 Y HA -0.136 4.415 4.550 0.002 0.000 0.291 85 Y C 2.404 178.387 175.900 0.138 0.000 1.137 85 Y CA 1.715 59.939 58.100 0.207 0.000 1.181 85 Y CB -0.199 38.368 38.460 0.179 0.000 0.989 85 Y HN 0.342 nan 8.280 nan 0.000 0.527 86 K N 0.373 120.906 120.400 0.222 0.000 2.057 86 K HA -0.155 4.167 4.320 0.003 0.000 0.206 86 K C 1.858 178.490 176.600 0.054 0.000 1.050 86 K CA 1.264 57.615 56.287 0.107 0.000 0.935 86 K CB -0.346 32.195 32.500 0.068 0.000 0.715 86 K HN 0.301 nan 8.250 nan 0.000 0.439 87 L N -0.303 120.904 121.223 -0.027 0.000 2.056 87 L HA -0.172 4.169 4.340 0.003 0.000 0.207 87 L C 2.430 179.357 176.870 0.096 0.000 1.078 87 L CA 0.976 55.697 54.840 -0.198 0.000 0.749 87 L CB -0.547 41.036 42.059 -0.793 0.000 0.901 87 L HN 0.416 nan 8.230 nan 0.000 0.433 88 W N 1.316 122.615 121.300 -0.001 0.000 2.358 88 W HA -0.235 4.426 4.660 0.002 0.000 0.303 88 W C 2.596 179.203 176.519 0.148 0.000 1.208 88 W CA 1.628 59.032 57.345 0.099 0.000 1.274 88 W CB -0.472 28.991 29.460 0.004 0.000 1.138 88 W HN 0.151 nan 8.180 nan 0.000 0.515 89 Q N 0.693 120.550 119.800 0.096 0.000 2.170 89 Q HA -0.071 4.271 4.340 0.003 0.000 0.203 89 Q C 1.972 177.983 176.000 0.019 0.000 0.976 89 Q CA 2.442 58.202 55.803 -0.072 0.000 0.858 89 Q CB -0.794 27.913 28.738 -0.052 0.000 0.907 89 Q HN 0.214 nan 8.270 nan 0.000 0.433 90 A N -1.154 121.719 122.820 0.090 0.000 2.275 90 A HA 0.168 4.490 4.320 0.003 0.000 0.212 90 A C 0.155 177.824 177.584 0.142 0.000 1.201 90 A CA -0.533 51.549 52.037 0.076 0.000 0.843 90 A CB -0.417 18.607 19.000 0.039 0.000 0.873 90 A HN 0.361 nan 8.150 nan 0.000 0.492 91 F N 1.538 121.549 119.950 0.101 0.000 2.538 91 F HA 0.254 4.782 4.527 0.002 0.000 0.371 91 F C 0.207 176.076 175.800 0.115 0.000 1.087 91 F CA -0.800 57.298 58.000 0.163 0.000 1.250 91 F CB 0.523 39.718 39.000 0.325 0.000 1.110 91 F HN 0.118 nan 8.300 nan 0.000 0.570 92 D N 7.198 127.277 120.400 -0.536 0.000 2.365 92 D HA 0.058 4.700 4.640 0.003 0.000 0.237 92 D C 1.037 177.046 176.300 -0.485 0.000 1.190 92 D CA -0.189 53.590 54.000 -0.368 0.000 0.867 92 D CB 0.735 41.361 40.800 -0.289 0.000 1.050 92 D HN 0.517 nan 8.370 nan 0.000 0.491 93 M N 2.820 122.378 119.600 -0.070 0.000 2.117 93 M HA -0.135 4.347 4.480 0.003 0.000 0.262 93 M C 1.427 177.757 176.300 0.050 0.000 1.065 93 M CA 1.402 56.779 55.300 0.128 0.000 1.114 93 M CB -0.631 32.096 32.600 0.211 0.000 1.361 93 M HN 0.385 nan 8.290 nan 0.000 0.408 94 E N 0.810 121.009 120.200 -0.001 0.000 2.072 94 E HA -0.064 4.288 4.350 0.003 0.000 0.191 94 E C 2.098 178.683 176.600 -0.024 0.000 0.985 94 E CA 1.549 57.943 56.400 -0.010 0.000 0.801 94 E CB -0.501 29.185 29.700 -0.024 0.000 0.750 94 E HN 0.518 nan 8.360 nan 0.000 0.452 95 A N 0.904 123.703 122.820 -0.034 0.000 2.015 95 A HA -0.005 4.317 4.320 0.003 0.000 0.219 95 A C 2.395 180.008 177.584 0.047 0.000 1.163 95 A CA 1.482 53.567 52.037 0.079 0.000 0.646 95 A CB -1.086 17.922 19.000 0.013 0.000 0.806 95 A HN 0.340 nan 8.150 nan 0.000 0.448 96 G N -0.574 108.181 108.800 -0.074 0.000 2.408 96 G HA2 -0.075 3.887 3.960 0.003 0.000 0.217 96 G HA3 -0.075 3.887 3.960 0.003 0.000 0.217 96 G C 1.458 176.450 174.900 0.153 0.000 1.150 96 G CA 1.155 46.313 45.100 0.097 0.000 0.776 96 G HN 0.297 nan 8.290 nan 0.000 0.542 97 V N 1.436 121.435 119.914 0.142 0.000 2.427 97 V HA -0.043 4.079 4.120 0.003 0.000 0.248 97 V C 3.088 179.292 176.094 0.183 0.000 1.051 97 V CA 1.929 64.331 62.300 0.170 0.000 1.048 97 V CB -0.824 31.082 31.823 0.139 0.000 0.666 97 V HN 0.430 nan 8.190 nan 0.000 0.456 98 G N -0.587 108.288 108.800 0.125 0.000 2.422 98 G HA2 -0.214 3.748 3.960 0.003 0.000 0.218 98 G HA3 -0.214 3.748 3.960 0.003 0.000 0.218 98 G C 1.227 176.316 174.900 0.314 0.000 1.140 98 G CA 0.868 46.058 45.100 0.150 0.000 0.775 98 G HN 0.486 nan 8.290 nan 0.000 0.545 99 D N 0.406 120.960 120.400 0.257 0.000 2.149 99 D HA -0.016 4.626 4.640 0.003 0.000 0.201 99 D C 2.628 178.998 176.300 0.116 0.000 0.972 99 D CA 0.312 54.395 54.000 0.139 0.000 0.835 99 D CB -0.174 40.459 40.800 -0.278 0.000 0.966 99 D HN 0.267 nan 8.370 nan 0.000 0.476 100 L N 0.777 122.054 121.223 0.090 0.000 2.083 100 L HA -0.142 4.200 4.340 0.003 0.000 0.209 100 L C 2.455 179.393 176.870 0.113 0.000 1.083 100 L CA 1.080 55.986 54.840 0.110 0.000 0.752 100 L CB -0.299 41.840 42.059 0.134 0.000 0.899 100 L HN 0.064 nan 8.230 nan 0.000 0.433 101 E N 0.487 120.711 120.200 0.040 0.000 2.085 101 E HA -0.269 4.083 4.350 0.003 0.000 0.194 101 E C 2.165 178.714 176.600 -0.084 0.000 0.994 101 E CA 1.321 57.565 56.400 -0.260 0.000 0.801 101 E CB 0.007 29.273 29.700 -0.724 0.000 0.743 101 E HN 0.467 nan 8.360 nan 0.000 0.453 102 A N 1.035 123.911 122.820 0.093 0.000 1.930 102 A HA -0.028 4.294 4.320 0.003 0.000 0.217 102 A C 2.351 180.053 177.584 0.196 0.000 1.175 102 A CA 1.642 53.780 52.037 0.168 0.000 0.627 102 A CB -0.594 18.574 19.000 0.279 0.000 0.815 102 A HN 0.420 nan 8.150 nan 0.000 0.443 103 A N -0.352 122.632 122.820 0.273 0.000 1.968 103 A HA 0.046 4.368 4.320 0.003 0.000 0.217 103 A C 2.049 179.738 177.584 0.175 0.000 1.169 103 A CA 1.283 53.460 52.037 0.234 0.000 0.638 103 A CB -0.492 18.661 19.000 0.255 0.000 0.812 103 A HN 0.465 nan 8.150 nan 0.000 0.446 104 I N -0.935 119.705 120.570 0.117 0.000 2.252 104 I HA -0.214 3.958 4.170 0.003 0.000 0.245 104 I C 2.737 178.878 176.117 0.040 0.000 1.102 104 I CA 1.023 62.370 61.300 0.078 0.000 1.385 104 I CB -0.240 37.802 38.000 0.070 0.000 1.064 104 I HN 0.249 nan 8.210 nan 0.000 0.414 105 R N -0.308 120.211 120.500 0.032 0.000 2.081 105 R HA -0.230 4.112 4.340 0.003 0.000 0.235 105 R C 2.421 178.671 176.300 -0.083 0.000 1.131 105 R CA 1.905 58.020 56.100 0.024 0.000 0.960 105 R CB -0.597 29.739 30.300 0.061 0.000 0.856 105 R HN 0.362 nan 8.270 nan 0.000 0.436 106 Y N 1.116 121.276 120.300 -0.234 0.000 2.181 106 Y HA -0.245 4.307 4.550 0.003 0.000 0.288 106 Y C 2.204 177.786 175.900 -0.530 0.000 1.146 106 Y CA 1.425 59.219 58.100 -0.511 0.000 1.164 106 Y CB -0.312 38.019 38.460 -0.216 0.000 0.982 106 Y HN 0.061 nan 8.280 nan 0.000 0.515 107 A N 1.154 123.932 122.820 -0.070 0.000 1.877 107 A HA -0.203 4.118 4.320 0.003 0.000 0.216 107 A C 2.278 179.755 177.584 -0.177 0.000 1.186 107 A CA 1.857 53.858 52.037 -0.060 0.000 0.620 107 A CB -0.637 18.410 19.000 0.079 0.000 0.822 107 A HN 0.578 nan 8.150 nan 0.000 0.443 108 R N -0.514 119.898 120.500 -0.147 0.000 2.127 108 R HA -0.166 4.175 4.340 0.003 0.000 0.238 108 R C 1.445 177.680 176.300 -0.108 0.000 1.134 108 R CA 1.639 57.686 56.100 -0.089 0.000 0.975 108 R CB -0.637 29.648 30.300 -0.025 0.000 0.865 108 R HN 0.972 nan 8.270 nan 0.000 0.447 109 H N -0.674 118.286 119.070 -0.183 0.000 2.507 109 H HA 0.267 4.824 4.556 0.003 0.000 0.294 109 H C -0.057 175.058 175.328 -0.355 0.000 1.064 109 H CA -0.592 55.321 56.048 -0.226 0.000 1.138 109 H CB 0.022 29.679 29.762 -0.176 0.000 1.515 109 H HN -0.154 nan 8.280 nan 0.000 0.547 110 Q N 2.114 121.632 119.800 -0.470 0.000 2.340 110 Q HA 0.108 4.450 4.340 0.003 0.000 0.249 110 Q C -1.253 174.396 176.000 -0.584 0.000 0.957 110 Q CA -2.571 52.815 55.803 -0.694 0.000 0.882 110 Q CB 1.153 29.205 28.738 -1.143 0.000 1.235 110 Q HN 0.301 nan 8.270 nan 0.000 0.439 111 P HA -0.179 nan 4.420 nan 0.000 0.218 111 P C 0.544 177.739 177.300 -0.176 0.000 1.146 111 P CA 1.625 64.564 63.100 -0.269 0.000 0.813 111 P CB -0.021 31.583 31.700 -0.160 0.000 0.778 112 Y N -1.676 118.600 120.300 -0.040 0.000 2.466 112 Y HA 0.449 5.000 4.550 0.003 0.000 0.272 112 Y C 1.076 176.956 175.900 -0.034 0.000 1.169 112 Y CA -1.389 56.691 58.100 -0.033 0.000 1.285 112 Y CB -1.186 37.258 38.460 -0.027 0.000 1.078 112 Y HN -0.188 nan 8.280 nan 0.000 0.523 113 S N 2.380 118.076 115.700 -0.007 0.000 2.565 113 S HA 0.076 4.548 4.470 0.003 0.000 0.276 113 S C 1.094 175.705 174.600 0.018 0.000 1.326 113 S CA -0.301 57.922 58.200 0.039 0.000 1.045 113 S CB 0.268 63.422 63.200 -0.076 0.000 0.918 113 S HN 0.661 nan 8.310 nan 0.000 0.505 114 N N 3.419 122.137 118.700 0.030 0.000 2.322 114 N HA 0.151 4.893 4.740 0.003 0.000 0.194 114 N C 1.146 176.654 175.510 -0.003 0.000 1.126 114 N CA 0.795 53.849 53.050 0.007 0.000 0.845 114 N CB -0.307 38.180 38.487 0.000 0.000 0.976 114 N HN 1.049 nan 8.380 nan 0.000 0.475 115 G N -0.312 108.485 108.800 -0.005 0.000 2.199 115 G HA2 -0.250 3.711 3.960 0.003 0.000 0.254 115 G HA3 -0.250 3.711 3.960 0.003 0.000 0.254 115 G C -0.273 174.621 174.900 -0.009 0.000 0.982 115 G CA 0.204 45.298 45.100 -0.011 0.000 0.632 115 G HN 0.398 nan 8.290 nan 0.000 0.529 116 K N 0.370 120.771 120.400 0.000 0.000 2.164 116 K HA 0.720 5.041 4.320 0.003 0.000 0.258 116 K C -0.383 176.229 176.600 0.019 0.000 0.951 116 K CA -0.575 55.710 56.287 -0.003 0.000 0.844 116 K CB 2.719 35.217 32.500 -0.004 0.000 1.099 116 K HN 0.194 nan 8.250 nan 0.000 0.435 117 V N 0.896 120.815 119.914 0.009 0.000 2.709 117 V HA 0.601 4.723 4.120 0.003 0.000 0.308 117 V C 0.286 176.389 176.094 0.015 0.000 1.062 117 V CA -0.977 61.339 62.300 0.027 0.000 0.901 117 V CB 2.055 33.896 31.823 0.029 0.000 1.003 117 V HN 0.922 nan 8.190 nan 0.000 0.425 118 G N 2.395 111.207 108.800 0.020 0.000 2.600 118 G HA2 0.815 4.776 3.960 0.003 0.000 0.303 118 G HA3 0.815 4.776 3.960 0.003 0.000 0.303 118 G C -1.759 173.150 174.900 0.015 0.000 1.253 118 G CA -0.744 44.359 45.100 0.005 0.000 0.974 118 G HN 0.745 nan 8.290 nan 0.000 0.483 119 L N 0.434 121.671 121.223 0.024 0.000 2.431 119 L HA 0.780 5.122 4.340 0.003 0.000 0.266 119 L C -1.273 175.597 176.870 0.001 0.000 0.978 119 L CA -0.788 54.068 54.840 0.026 0.000 0.822 119 L CB 2.301 44.393 42.059 0.055 0.000 1.310 119 L HN 0.343 nan 8.230 nan 0.000 0.409 120 V N 3.790 123.701 119.914 -0.005 0.000 2.531 120 V HA 0.838 4.959 4.120 0.003 0.000 0.301 120 V C 0.232 176.288 176.094 -0.063 0.000 1.034 120 V CA -0.232 62.044 62.300 -0.041 0.000 0.865 120 V CB 1.538 33.378 31.823 0.028 0.000 0.995 120 V HN 0.891 nan 8.190 nan 0.000 0.424 121 G N 2.778 111.472 108.800 -0.177 0.000 2.533 121 G HA2 0.770 4.731 3.960 0.003 0.000 0.304 121 G HA3 0.770 4.731 3.960 0.003 0.000 0.304 121 G C -1.981 172.688 174.900 -0.385 0.000 1.263 121 G CA -0.422 44.600 45.100 -0.130 0.000 0.964 121 G HN 0.426 nan 8.290 nan 0.000 0.479 125 G N -0.024 108.689 108.800 -0.144 0.000 2.448 125 G HA2 -0.030 3.932 3.960 0.003 0.000 0.219 125 G HA3 -0.030 3.932 3.960 0.003 0.000 0.219 125 G C 1.290 176.198 174.900 0.013 0.000 1.127 125 G CA 0.801 45.874 45.100 -0.044 0.000 0.766 125 G HN 0.599 nan 8.290 nan 0.000 0.552 126 G N 0.865 109.670 108.800 0.008 0.000 2.403 126 G HA2 0.137 4.098 3.960 0.003 0.000 0.216 126 G HA3 0.137 4.098 3.960 0.003 0.000 0.216 126 G C 1.975 176.998 174.900 0.205 0.000 1.154 126 G CA 1.309 46.455 45.100 0.077 0.000 0.784 126 G HN 0.555 nan 8.290 nan 0.000 0.538 127 A N 0.576 123.474 122.820 0.129 0.000 1.930 127 A HA 0.175 4.497 4.320 0.003 0.000 0.217 127 A C 2.388 180.107 177.584 0.224 0.000 1.175 127 A CA 0.989 53.128 52.037 0.170 0.000 0.627 127 A CB -0.354 18.721 19.000 0.125 0.000 0.815 127 A HN 0.331 nan 8.150 nan 0.000 0.443 128 L N -0.703 120.621 121.223 0.168 0.000 2.093 128 L HA -0.171 4.171 4.340 0.003 0.000 0.208 128 L C 3.056 180.033 176.870 0.179 0.000 1.085 128 L CA 0.944 55.885 54.840 0.169 0.000 0.755 128 L CB -0.496 41.642 42.059 0.133 0.000 0.904 128 L HN 0.426 nan 8.230 nan 0.000 0.435 129 A N -0.216 122.725 122.820 0.203 0.000 1.933 129 A HA -0.270 4.052 4.320 0.003 0.000 0.218 129 A C 2.166 179.951 177.584 0.335 0.000 1.175 129 A CA 1.565 53.733 52.037 0.218 0.000 0.628 129 A CB -0.772 18.334 19.000 0.175 0.000 0.814 129 A HN 0.412 nan 8.150 nan 0.000 0.444 130 F N 0.639 120.779 119.950 0.317 0.000 2.146 130 F HA -0.073 4.456 4.527 0.003 0.000 0.298 130 F C 1.852 177.697 175.800 0.076 0.000 1.096 130 F CA 1.536 59.662 58.000 0.210 0.000 1.275 130 F CB -0.260 38.714 39.000 -0.042 0.000 1.008 130 F HN 0.136 nan 8.300 nan 0.000 0.480 131 L N -0.822 120.403 121.223 0.003 0.000 2.131 131 L HA -0.196 4.146 4.340 0.003 0.000 0.210 131 L C 2.322 179.088 176.870 -0.174 0.000 1.092 131 L CA 0.779 55.553 54.840 -0.109 0.000 0.759 131 L CB -0.975 41.114 42.059 0.049 0.000 0.903 131 L HN 0.009 nan 8.230 nan 0.000 0.435 132 V N 0.168 120.040 119.914 -0.071 0.000 2.358 132 V HA -0.238 3.884 4.120 0.003 0.000 0.246 132 V C 2.791 178.775 176.094 -0.182 0.000 1.047 132 V CA 1.713 63.965 62.300 -0.080 0.000 1.035 132 V CB -0.727 31.156 31.823 0.100 0.000 0.658 132 V HN 0.461 nan 8.190 nan 0.000 0.452 133 A N 0.157 122.891 122.820 -0.144 0.000 1.902 133 A HA -0.139 4.182 4.320 0.003 0.000 0.217 133 A C 2.404 179.814 177.584 -0.290 0.000 1.181 133 A CA 2.076 54.024 52.037 -0.148 0.000 0.623 133 A CB -0.799 18.157 19.000 -0.074 0.000 0.818 133 A HN 0.575 nan 8.150 nan 0.000 0.443 134 A N -0.875 121.654 122.820 -0.485 0.000 2.019 134 A HA -0.107 4.215 4.320 0.003 0.000 0.219 134 A C 2.056 179.436 177.584 -0.341 0.000 1.164 134 A CA 1.659 53.425 52.037 -0.451 0.000 0.644 134 A CB -0.250 18.434 19.000 -0.527 0.000 0.805 134 A HN 0.354 nan 8.150 nan 0.000 0.449 135 K N -1.689 118.459 120.400 -0.420 0.000 2.186 135 K HA 0.074 4.395 4.320 0.003 0.000 0.202 135 K C 1.280 177.597 176.600 -0.471 0.000 1.052 135 K CA 0.892 56.837 56.287 -0.570 0.000 0.965 135 K CB -0.325 31.474 32.500 -1.169 0.000 0.746 135 K HN 0.814 nan 8.250 nan 0.000 0.457 136 G N 1.171 109.786 108.800 -0.308 0.000 2.137 136 G HA2 -0.249 3.713 3.960 0.003 0.000 0.237 136 G HA3 -0.249 3.713 3.960 0.003 0.000 0.237 136 G C 0.386 175.333 174.900 0.078 0.000 1.002 136 G CA 0.224 45.326 45.100 0.003 0.000 0.702 136 G HN 0.177 nan 8.290 nan 0.000 0.515 137 Y N -0.369 119.959 120.300 0.046 0.000 2.509 137 Y HA 0.287 4.839 4.550 0.003 0.000 0.293 137 Y C 1.900 177.793 175.900 -0.012 0.000 1.133 137 Y CA 0.541 58.654 58.100 0.021 0.000 1.283 137 Y CB -0.376 38.102 38.460 0.030 0.000 1.001 137 Y HN 0.707 nan 8.280 nan 0.000 0.555 138 V N -4.277 115.705 119.914 0.113 0.000 3.074 138 V HA 0.430 4.552 4.120 0.003 0.000 0.314 138 V C 0.611 176.640 176.094 -0.108 0.000 1.117 138 V CA -1.019 61.295 62.300 0.024 0.000 1.014 138 V CB 2.094 33.953 31.823 0.060 0.000 1.057 138 V HN -0.142 nan 8.190 nan 0.000 0.438 139 D N 0.541 120.871 120.400 -0.117 0.000 2.137 139 D HA 0.080 4.721 4.640 0.003 0.000 0.202 139 D C 0.567 176.815 176.300 -0.086 0.000 0.970 139 D CA 1.336 55.231 54.000 -0.176 0.000 0.837 139 D CB 0.333 41.058 40.800 -0.125 0.000 0.981 139 D HN 0.534 nan 8.370 nan 0.000 0.475 140 R N -0.563 119.917 120.500 -0.033 0.000 2.668 140 R HA 0.688 5.029 4.340 0.003 0.000 0.272 140 R C -1.276 175.105 176.300 0.134 0.000 1.019 140 R CA -0.609 55.508 56.100 0.028 0.000 0.894 140 R CB 2.642 32.823 30.300 -0.198 0.000 1.228 140 R HN -0.068 nan 8.270 nan 0.000 0.460 141 A N 1.738 124.694 122.820 0.227 0.000 2.401 141 A HA 0.783 5.105 4.320 0.003 0.000 0.310 141 A C -1.113 176.426 177.584 -0.074 0.000 1.075 141 A CA -0.655 51.433 52.037 0.085 0.000 0.746 141 A CB 1.941 20.977 19.000 0.061 0.000 1.277 141 A HN 0.322 nan 8.150 nan 0.000 0.425 142 V N 0.731 120.518 119.914 -0.211 0.000 2.638 142 V HA 0.768 4.890 4.120 0.003 0.000 0.306 142 V C 0.396 176.191 176.094 -0.498 0.000 1.052 142 V CA -0.100 61.903 62.300 -0.496 0.000 0.885 142 V CB 2.086 33.760 31.823 -0.249 0.000 0.999 142 V HN 1.347 nan 8.190 nan 0.000 0.424 143 G N 2.484 110.789 108.800 -0.825 0.000 2.530 143 G HA2 0.643 4.604 3.960 0.003 0.000 0.316 143 G HA3 0.643 4.604 3.960 0.003 0.000 0.316 143 G C -1.824 172.872 174.900 -0.339 0.000 1.298 143 G CA -0.396 44.489 45.100 -0.358 0.000 0.948 143 G HN 0.441 nan 8.290 nan 0.000 0.486 144 Y N 1.750 121.703 120.300 -0.578 0.000 2.331 144 Y HA 0.315 4.866 4.550 0.003 0.000 0.338 144 Y C 0.273 175.633 175.900 -0.900 0.000 0.976 144 Y CA -0.796 56.776 58.100 -0.881 0.000 1.137 144 Y CB 1.008 38.602 38.460 -1.445 0.000 1.172 144 Y HN 0.748 nan 8.280 nan 0.000 0.478 145 Y N 0.091 120.466 120.300 0.124 0.000 2.973 145 Y HA -0.249 4.303 4.550 0.003 0.000 0.210 145 Y C 0.682 176.611 175.900 0.049 0.000 1.191 145 Y CA -0.285 57.882 58.100 0.110 0.000 0.991 145 Y CB -2.059 36.496 38.460 0.158 0.000 1.231 145 Y HN 0.695 nan 8.280 nan 0.000 0.504 146 G N 0.109 108.971 108.800 0.102 0.000 2.441 146 G HA2 0.401 4.362 3.960 0.003 0.000 0.243 146 G HA3 0.401 4.362 3.960 0.003 0.000 0.243 146 G C -0.164 174.743 174.900 0.012 0.000 1.281 146 G CA -0.180 44.953 45.100 0.054 0.000 0.854 146 G HN 0.458 nan 8.290 nan 0.000 0.560 147 V N 2.055 121.941 119.914 -0.046 0.000 2.607 147 V HA 0.587 4.709 4.120 0.003 0.000 0.289 147 V C 1.397 177.506 176.094 0.025 0.000 1.053 147 V CA 0.890 63.147 62.300 -0.072 0.000 0.996 147 V CB 0.983 32.684 31.823 -0.204 0.000 0.995 147 V HN 1.673 nan 8.190 nan 0.000 0.476 148 G N 3.458 112.284 108.800 0.044 0.000 2.198 148 G HA2 -0.245 3.717 3.960 0.003 0.000 0.260 148 G HA3 -0.245 3.717 3.960 0.003 0.000 0.260 148 G C 0.554 175.456 174.900 0.003 0.000 1.025 148 G CA 0.543 45.672 45.100 0.049 0.000 0.769 148 G HN 0.670 nan 8.290 nan 0.000 0.507 149 L N 0.380 121.562 121.223 -0.067 0.000 2.191 149 L HA -0.063 4.278 4.340 0.003 0.000 0.212 149 L C 2.897 179.674 176.870 -0.155 0.000 1.103 149 L CA 1.668 56.391 54.840 -0.195 0.000 0.769 149 L CB -0.300 41.527 42.059 -0.386 0.000 0.908 149 L HN 0.583 nan 8.230 nan 0.000 0.438 150 E N 1.330 121.482 120.200 -0.079 0.000 2.265 150 E HA -0.236 4.116 4.350 0.003 0.000 0.196 150 E C 1.294 177.891 176.600 -0.005 0.000 0.996 150 E CA 1.202 57.580 56.400 -0.037 0.000 0.832 150 E CB -0.198 29.497 29.700 -0.007 0.000 0.756 150 E HN 0.489 nan 8.360 nan 0.000 0.491 151 K N -0.069 120.335 120.400 0.006 0.000 2.404 151 K HA 0.099 4.421 4.320 0.003 0.000 0.194 151 K C 0.952 177.581 176.600 0.048 0.000 1.023 151 K CA 0.114 56.419 56.287 0.030 0.000 1.094 151 K CB 0.465 32.989 32.500 0.040 0.000 0.841 151 K HN 0.019 nan 8.250 nan 0.000 0.523 152 Q N 0.105 119.930 119.800 0.042 0.000 2.139 152 Q HA 0.126 4.468 4.340 0.003 0.000 0.219 152 Q C 1.072 177.157 176.000 0.141 0.000 0.805 152 Q CA -0.059 55.818 55.803 0.122 0.000 1.024 152 Q CB 0.615 29.478 28.738 0.208 0.000 1.163 152 Q HN 0.131 nan 8.270 nan 0.000 0.485 153 L N 0.842 122.105 121.223 0.065 0.000 2.261 153 L HA -0.140 4.201 4.340 0.003 0.000 0.216 153 L C 1.370 178.295 176.870 0.091 0.000 1.114 153 L CA 1.481 56.367 54.840 0.076 0.000 0.777 153 L CB -0.912 41.185 42.059 0.063 0.000 0.910 153 L HN 0.228 nan 8.230 nan 0.000 0.440 154 N N -0.669 118.080 118.700 0.083 0.000 2.573 154 N HA -0.119 4.623 4.740 0.003 0.000 0.187 154 N C 1.331 176.878 175.510 0.061 0.000 1.107 154 N CA 0.597 53.682 53.050 0.059 0.000 0.918 154 N CB 0.039 38.551 38.487 0.042 0.000 0.966 154 N HN 0.343 nan 8.380 nan 0.000 0.448 155 K N -0.546 119.926 120.400 0.120 0.000 2.393 155 K HA 0.140 4.461 4.320 0.003 0.000 0.193 155 K C 1.305 177.918 176.600 0.023 0.000 1.026 155 K CA 0.007 56.329 56.287 0.057 0.000 1.064 155 K CB 0.478 33.005 32.500 0.044 0.000 0.833 155 K HN -0.020 nan 8.250 nan 0.000 0.521 156 V N 2.791 122.772 119.914 0.111 0.000 2.278 156 V HA -0.224 3.898 4.120 0.003 0.000 0.251 156 V C -0.829 175.230 176.094 -0.058 0.000 1.062 156 V CA 2.063 64.372 62.300 0.015 0.000 1.038 156 V CB -1.000 30.806 31.823 -0.029 0.000 0.646 156 V HN 0.286 nan 8.190 nan 0.000 0.447 157 P HA -0.077 nan 4.420 nan 0.000 0.237 157 P C 1.172 178.422 177.300 -0.084 0.000 1.178 157 P CA 0.956 64.022 63.100 -0.056 0.000 0.766 157 P CB 0.039 31.718 31.700 -0.035 0.000 0.876 158 E N -0.309 119.827 120.200 -0.107 0.000 2.358 158 E HA 0.025 4.376 4.350 0.003 0.000 0.195 158 E C 0.291 176.785 176.600 -0.177 0.000 1.010 158 E CA 0.051 56.369 56.400 -0.136 0.000 0.856 158 E CB 0.032 29.640 29.700 -0.155 0.000 0.795 158 E HN 0.067 nan 8.360 nan 0.000 0.504 159 V N 2.622 122.423 119.914 -0.189 0.000 2.446 159 V HA -0.021 4.100 4.120 0.003 0.000 0.276 159 V C 0.900 176.889 176.094 -0.174 0.000 1.030 159 V CA 0.568 62.752 62.300 -0.193 0.000 1.033 159 V CB 0.801 32.515 31.823 -0.181 0.000 0.993 159 V HN 0.100 nan 8.190 nan 0.000 0.477 160 K N 3.132 123.383 120.400 -0.248 0.000 2.374 160 K HA 0.292 4.613 4.320 0.003 0.000 0.202 160 K C 0.183 176.407 176.600 -0.628 0.000 1.040 160 K CA 0.081 56.125 56.287 -0.405 0.000 1.085 160 K CB 0.393 32.596 32.500 -0.495 0.000 0.873 160 K HN 0.677 nan 8.250 nan 0.000 0.539 161 H N 0.068 119.126 119.070 -0.021 0.000 2.821 161 H HA 0.355 4.913 4.556 0.003 0.000 0.373 161 H C -2.570 172.785 175.328 0.045 0.000 1.165 161 H CA -2.411 53.638 56.048 0.001 0.000 1.154 161 H CB 1.627 31.386 29.762 -0.006 0.000 1.765 161 H HN -0.273 nan 8.280 nan 0.000 0.549 162 P HA 0.231 nan 4.420 nan 0.000 0.265 162 P C -1.052 176.497 177.300 0.416 0.000 1.193 162 P CA 0.066 63.325 63.100 0.265 0.000 0.765 162 P CB 0.549 32.354 31.700 0.174 0.000 0.823 163 A N 3.354 126.393 122.820 0.366 0.000 2.427 163 A HA 0.636 4.958 4.320 0.003 0.000 0.298 163 A C -1.632 175.851 177.584 -0.169 0.000 1.036 163 A CA -0.574 51.564 52.037 0.169 0.000 0.701 163 A CB 0.943 20.114 19.000 0.286 0.000 1.250 163 A HN 0.505 nan 8.150 nan 0.000 0.412 164 L N 2.228 122.936 121.223 -0.859 0.000 2.341 164 L HA 0.918 5.260 4.340 0.003 0.000 0.278 164 L C -1.821 174.246 176.870 -1.339 0.000 1.005 164 L CA -0.503 53.708 54.840 -1.049 0.000 0.818 164 L CB 0.876 41.939 42.059 -1.661 0.000 1.259 164 L HN 0.517 nan 8.230 nan 0.000 0.418 165 F N 3.610 123.251 119.950 -0.515 0.000 2.507 165 F HA 0.518 5.046 4.527 0.003 0.000 0.325 165 F C -0.147 175.286 175.800 -0.610 0.000 1.116 165 F CA -0.549 57.147 58.000 -0.506 0.000 0.930 165 F CB 1.513 40.357 39.000 -0.260 0.000 1.146 165 F HN 0.396 nan 8.300 nan 0.000 0.447 166 H N 4.939 123.890 119.070 -0.199 0.000 2.551 166 H HA 0.494 5.052 4.556 0.003 0.000 0.321 166 H C -0.556 174.821 175.328 0.083 0.000 1.028 166 H CA -0.537 55.524 56.048 0.022 0.000 1.215 166 H CB 1.482 31.063 29.762 -0.301 0.000 1.414 166 H HN 0.400 nan 8.280 nan 0.000 0.480 167 M N 1.738 121.432 119.600 0.158 0.000 2.393 167 M HA 0.295 4.776 4.480 0.003 0.000 0.316 167 M C 0.779 177.309 176.300 0.384 0.000 1.087 167 M CA -0.792 54.528 55.300 0.032 0.000 0.937 167 M CB 2.077 34.124 32.600 -0.920 0.000 1.668 167 M HN 0.633 nan 8.290 nan 0.000 0.438 168 G N 0.784 109.902 108.800 0.530 0.000 2.370 168 G HA2 0.443 4.404 3.960 0.003 0.000 0.272 168 G HA3 0.443 4.404 3.960 0.003 0.000 0.272 168 G C 0.820 175.967 174.900 0.411 0.000 1.208 168 G CA -0.316 45.070 45.100 0.477 0.000 0.856 168 G HN 0.965 nan 8.290 nan 0.000 0.500 169 G N 0.661 109.665 108.800 0.339 0.000 2.484 169 G HA2 -0.083 3.879 3.960 0.003 0.000 0.218 169 G HA3 -0.083 3.879 3.960 0.003 0.000 0.218 169 G C 1.163 176.111 174.900 0.081 0.000 1.130 169 G CA 0.299 45.540 45.100 0.235 0.000 0.784 169 G HN 0.611 nan 8.290 nan 0.000 0.543 170 Q N 0.125 119.968 119.800 0.072 0.000 2.189 170 Q HA 0.102 4.444 4.340 0.003 0.000 0.221 170 Q C -0.656 175.313 176.000 -0.051 0.000 0.848 170 Q CA -0.398 55.412 55.803 0.011 0.000 1.007 170 Q CB 0.729 29.528 28.738 0.103 0.000 1.116 170 Q HN 0.205 nan 8.270 nan 0.000 0.481 171 D N 0.206 120.602 120.400 -0.007 0.000 2.339 171 D HA -0.006 4.635 4.640 0.003 0.000 0.241 171 D C 0.563 176.827 176.300 -0.059 0.000 1.183 171 D CA 0.006 54.080 54.000 0.122 0.000 0.859 171 D CB 0.562 41.553 40.800 0.318 0.000 1.067 171 D HN 0.221 nan 8.370 nan 0.000 0.484 172 H N 3.621 122.780 119.070 0.149 0.000 2.556 172 H HA -0.035 4.522 4.556 0.003 0.000 0.268 172 H C 0.887 176.255 175.328 0.066 0.000 0.996 172 H CA 0.210 56.298 56.048 0.067 0.000 1.157 172 H CB 0.293 30.055 29.762 -0.001 0.000 1.355 172 H HN 0.463 nan 8.280 nan 0.000 0.597 173 F N 0.387 120.457 119.950 0.200 0.000 2.558 173 F HA -0.031 4.498 4.527 0.002 0.000 0.298 173 F C 1.120 176.999 175.800 0.131 0.000 1.119 173 F CA 0.497 58.602 58.000 0.175 0.000 1.451 173 F CB 0.588 39.702 39.000 0.190 0.000 1.091 173 F HN -0.171 nan 8.300 nan 0.000 0.563 174 V N 2.553 122.638 119.914 0.285 0.000 2.315 174 V HA 0.267 4.389 4.120 0.003 0.000 0.265 174 V C -2.130 174.015 176.094 0.084 0.000 1.019 174 V CA -1.750 60.667 62.300 0.194 0.000 0.824 174 V CB 0.208 32.187 31.823 0.259 0.000 1.072 174 V HN -0.146 nan 8.190 nan 0.000 0.448 175 P HA 0.247 nan 4.420 nan 0.000 0.275 175 P C 1.067 178.360 177.300 -0.012 0.000 1.266 175 P CA 0.019 63.137 63.100 0.030 0.000 0.793 175 P CB 1.271 33.015 31.700 0.073 0.000 1.074 176 A N 1.873 124.675 122.820 -0.030 0.000 1.896 176 A HA -0.170 4.152 4.320 0.003 0.000 0.220 176 A C -0.275 177.260 177.584 -0.081 0.000 1.206 176 A CA 2.420 54.412 52.037 -0.075 0.000 0.647 176 A CB -2.687 16.278 19.000 -0.058 0.000 0.828 176 A HN 0.550 nan 8.150 nan 0.000 0.455 177 P HA -0.068 nan 4.420 nan 0.000 0.218 177 P C 1.478 178.755 177.300 -0.039 0.000 1.149 177 P CA 1.678 64.754 63.100 -0.040 0.000 0.817 177 P CB -0.195 31.494 31.700 -0.017 0.000 0.785 178 S N 0.011 115.700 115.700 -0.019 0.000 2.387 178 S HA -0.107 4.365 4.470 0.003 0.000 0.226 178 S C 2.151 176.737 174.600 -0.023 0.000 1.026 178 S CA 0.931 59.130 58.200 -0.001 0.000 0.972 178 S CB -0.632 62.593 63.200 0.042 0.000 0.814 178 S HN 0.193 nan 8.310 nan 0.000 0.477 179 R N 1.374 121.823 120.500 -0.085 0.000 2.081 179 R HA -0.094 4.247 4.340 0.003 0.000 0.235 179 R C 2.413 178.542 176.300 -0.286 0.000 1.131 179 R CA 1.594 57.535 56.100 -0.264 0.000 0.960 179 R CB -0.283 29.676 30.300 -0.569 0.000 0.856 179 R HN 0.420 nan 8.270 nan 0.000 0.436 180 Q N 0.297 119.970 119.800 -0.213 0.000 2.084 180 Q HA -0.142 4.200 4.340 0.003 0.000 0.202 180 Q C 2.174 178.125 176.000 -0.082 0.000 0.978 180 Q CA 1.607 57.316 55.803 -0.157 0.000 0.844 180 Q CB -0.013 28.654 28.738 -0.118 0.000 0.898 180 Q HN 0.445 nan 8.270 nan 0.000 0.426 181 L N 0.035 121.226 121.223 -0.053 0.000 2.046 181 L HA -0.205 4.137 4.340 0.003 0.000 0.208 181 L C 2.338 179.205 176.870 -0.005 0.000 1.077 181 L CA 0.971 55.800 54.840 -0.018 0.000 0.747 181 L CB -0.332 41.721 42.059 -0.010 0.000 0.896 181 L HN 0.299 nan 8.230 nan 0.000 0.432 182 I N -0.727 119.822 120.570 -0.036 0.000 2.252 182 I HA -0.252 3.920 4.170 0.003 0.000 0.245 182 I C 2.485 178.579 176.117 -0.038 0.000 1.102 182 I CA 1.395 62.623 61.300 -0.120 0.000 1.385 182 I CB -0.420 37.441 38.000 -0.230 0.000 1.064 182 I HN 0.224 nan 8.210 nan 0.000 0.414 183 T N 0.054 114.636 114.554 0.046 0.000 2.746 183 T HA -0.173 4.179 4.350 0.003 0.000 0.267 183 T C 1.753 176.506 174.700 0.089 0.000 1.039 183 T CA 1.422 63.584 62.100 0.102 0.000 1.142 183 T CB -0.230 68.628 68.868 -0.016 0.000 0.866 183 T HN 0.414 nan 8.240 nan 0.000 0.444 184 E N 0.410 120.639 120.200 0.048 0.000 2.072 184 E HA -0.001 4.351 4.350 0.003 0.000 0.190 184 E C 2.597 179.250 176.600 0.089 0.000 0.982 184 E CA 0.817 57.247 56.400 0.051 0.000 0.803 184 E CB -0.323 29.388 29.700 0.019 0.000 0.755 184 E HN 0.511 nan 8.360 nan 0.000 0.453 185 G N 0.606 109.477 108.800 0.120 0.000 2.404 185 G HA2 -0.215 3.746 3.960 0.003 0.000 0.215 185 G HA3 -0.215 3.746 3.960 0.003 0.000 0.215 185 G C 1.198 176.231 174.900 0.222 0.000 1.174 185 G CA 0.283 45.474 45.100 0.153 0.000 0.780 185 G HN 0.096 nan 8.290 nan 0.000 0.537 186 F N 1.853 121.792 119.950 -0.018 0.000 2.234 186 F HA 0.087 4.616 4.527 0.003 0.000 0.299 186 F C 2.819 178.634 175.800 0.024 0.000 1.087 186 F CA 0.481 58.478 58.000 -0.005 0.000 1.340 186 F CB -0.765 38.212 39.000 -0.038 0.000 1.031 186 F HN 0.179 nan 8.300 nan 0.000 0.500 187 G N -0.824 108.102 108.800 0.210 0.000 2.586 187 G HA2 -0.044 3.918 3.960 0.003 0.000 0.215 187 G HA3 -0.044 3.918 3.960 0.003 0.000 0.215 187 G C 1.688 176.634 174.900 0.076 0.000 1.128 187 G CA 0.674 45.847 45.100 0.122 0.000 0.774 187 G HN 0.424 nan 8.290 nan 0.000 0.543 188 A N -0.360 122.499 122.820 0.066 0.000 2.218 188 A HA 0.222 4.543 4.320 0.003 0.000 0.209 188 A C 0.984 178.580 177.584 0.020 0.000 1.168 188 A CA 0.111 52.170 52.037 0.037 0.000 0.804 188 A CB 0.051 19.070 19.000 0.031 0.000 0.834 188 A HN 0.274 nan 8.150 nan 0.000 0.482 189 N N -0.124 118.588 118.700 0.020 0.000 2.540 189 N HA 0.264 5.006 4.740 0.003 0.000 0.275 189 N C -2.465 173.060 175.510 0.025 0.000 1.053 189 N CA -1.960 51.092 53.050 0.003 0.000 0.876 189 N CB 2.020 40.487 38.487 -0.033 0.000 1.284 189 N HN -0.087 nan 8.380 nan 0.000 0.518 190 P HA -0.035 nan 4.420 nan 0.000 0.230 190 P C 1.109 178.445 177.300 0.059 0.000 1.158 190 P CA 0.546 63.673 63.100 0.045 0.000 0.769 190 P CB 0.621 32.343 31.700 0.037 0.000 0.807 191 L N -1.346 119.905 121.223 0.048 0.000 2.478 191 L HA 0.055 4.397 4.340 0.003 0.000 0.223 191 L C 1.365 178.305 176.870 0.116 0.000 1.140 191 L CA 0.301 55.186 54.840 0.075 0.000 0.842 191 L CB -0.313 41.766 42.059 0.035 0.000 0.953 191 L HN -0.052 nan 8.230 nan 0.000 0.452 192 L N 0.388 121.669 121.223 0.097 0.000 2.289 192 L HA 0.310 4.651 4.340 0.003 0.000 0.285 192 L C -0.411 176.552 176.870 0.155 0.000 1.049 192 L CA -0.153 54.779 54.840 0.154 0.000 0.804 192 L CB 1.362 43.459 42.059 0.064 0.000 1.195 192 L HN 0.121 nan 8.230 nan 0.000 0.428 193 Q N 3.246 123.124 119.800 0.130 0.000 2.340 193 Q HA 0.600 4.942 4.340 0.003 0.000 0.268 193 Q C -1.246 174.710 176.000 -0.074 0.000 1.031 193 Q CA -0.562 55.225 55.803 -0.026 0.000 0.804 193 Q CB 3.449 32.123 28.738 -0.106 0.000 1.286 193 Q HN 0.396 nan 8.270 nan 0.000 0.448 194 V N 3.192 122.991 119.914 -0.191 0.000 2.638 194 V HA 0.482 4.603 4.120 0.003 0.000 0.306 194 V C -1.475 174.304 176.094 -0.525 0.000 1.052 194 V CA -0.389 61.742 62.300 -0.281 0.000 0.885 194 V CB 1.745 33.441 31.823 -0.211 0.000 0.999 194 V HN 0.820 nan 8.190 nan 0.000 0.424 195 H N 4.255 123.123 119.070 -0.337 0.000 2.572 195 H HA 0.442 4.999 4.556 0.003 0.000 0.359 195 H C -1.507 173.447 175.328 -0.624 0.000 1.134 195 H CA -0.267 55.573 56.048 -0.347 0.000 1.187 195 H CB 1.730 31.354 29.762 -0.230 0.000 1.597 195 H HN 0.731 nan 8.280 nan 0.000 0.524 196 W N 1.877 123.081 121.300 -0.159 0.000 2.520 196 W HA 0.336 4.997 4.660 0.003 0.000 0.323 196 W C -0.764 175.517 176.519 -0.397 0.000 1.062 196 W CA -0.641 56.629 57.345 -0.125 0.000 1.215 196 W CB 0.804 30.223 29.460 -0.069 0.000 1.340 196 W HN 0.429 nan 8.180 nan 0.000 0.516 197 Y N 2.781 123.170 120.300 0.149 0.000 2.478 197 Y HA 0.175 4.727 4.550 0.003 0.000 0.329 197 Y C 1.392 177.284 175.900 -0.014 0.000 0.967 197 Y CA -0.898 57.172 58.100 -0.050 0.000 1.255 197 Y CB 0.730 38.953 38.460 -0.394 0.000 1.103 197 Y HN 0.423 nan 8.280 nan 0.000 0.497 198 E N 1.357 121.603 120.200 0.076 0.000 2.130 198 E HA -0.185 4.167 4.350 0.003 0.000 0.196 198 E C 0.704 177.325 176.600 0.035 0.000 0.998 198 E CA 1.322 57.757 56.400 0.060 0.000 0.806 198 E CB 0.221 29.934 29.700 0.023 0.000 0.738 198 E HN 0.692 nan 8.360 nan 0.000 0.459 199 E N -0.265 119.935 120.200 0.000 0.000 2.444 199 E HA 0.312 4.664 4.350 0.003 0.000 0.191 199 E C 0.061 176.633 176.600 -0.046 0.000 1.041 199 E CA -0.081 56.307 56.400 -0.020 0.000 0.883 199 E CB 0.600 30.277 29.700 -0.039 0.000 1.024 199 E HN 0.084 nan 8.360 nan 0.000 0.470 200 A N 0.150 122.941 122.820 -0.049 0.000 2.413 200 A HA 0.756 5.078 4.320 0.003 0.000 0.307 200 A C 0.452 178.078 177.584 0.070 0.000 1.087 200 A CA -0.212 51.782 52.037 -0.072 0.000 0.750 200 A CB 1.627 20.376 19.000 -0.419 0.000 1.296 200 A HN 0.124 nan 8.150 nan 0.000 0.423 201 G N -0.493 108.350 108.800 0.072 0.000 2.849 201 G HA2 0.521 4.483 3.960 0.003 0.000 0.174 201 G HA3 0.521 4.483 3.960 0.003 0.000 0.174 201 G C 0.037 174.983 174.900 0.078 0.000 1.370 201 G CA 0.003 45.144 45.100 0.067 0.000 1.040 201 G HN 1.195 nan 8.290 nan 0.000 0.582 202 H N -2.477 116.626 119.070 0.054 0.000 2.534 202 H HA 0.535 5.092 4.556 0.003 0.000 0.364 202 H C 0.681 175.615 175.328 -0.657 0.000 1.328 202 H CA 0.053 55.918 56.048 -0.304 0.000 1.415 202 H CB 0.798 30.554 29.762 -0.010 0.000 1.573 202 H HN 0.442 nan 8.280 nan 0.000 0.601 203 S N -0.555 114.263 115.700 -1.469 0.000 3.445 203 S HA -0.288 4.184 4.470 0.003 0.000 0.319 203 S C 0.718 174.999 174.600 -0.531 0.000 1.209 203 S CA 0.985 58.655 58.200 -0.884 0.000 0.934 203 S CB -2.273 60.778 63.200 -0.247 0.000 0.999 203 S HN 0.742 nan 8.310 nan 0.000 0.582 204 F N 0.172 119.850 119.950 -0.453 0.000 2.451 204 F HA 0.445 4.974 4.527 0.003 0.000 0.299 204 F C 1.782 177.598 175.800 0.027 0.000 1.101 204 F CA 0.437 58.349 58.000 -0.146 0.000 1.436 204 F CB -0.742 38.178 39.000 -0.133 0.000 1.074 204 F HN 0.289 nan 8.300 nan 0.000 0.553 205 A N 0.541 123.353 122.820 -0.014 0.000 2.275 205 A HA 0.176 4.498 4.320 0.003 0.000 0.212 205 A C 1.158 178.779 177.584 0.061 0.000 1.201 205 A CA -0.334 51.774 52.037 0.119 0.000 0.843 205 A CB -0.531 18.462 19.000 -0.013 0.000 0.873 205 A HN 0.384 nan 8.150 nan 0.000 0.492 206 R N 0.679 121.085 120.500 -0.158 0.000 2.229 206 R HA 0.270 4.611 4.340 0.003 0.000 0.332 206 R C 1.272 177.378 176.300 -0.324 0.000 0.989 206 R CA 0.548 56.351 56.100 -0.494 0.000 0.842 206 R CB 0.632 30.305 30.300 -1.045 0.000 1.119 206 R HN 0.309 nan 8.270 nan 0.000 0.456 207 T N -0.197 114.029 114.554 -0.546 0.000 2.803 207 T HA -0.200 4.152 4.350 0.003 0.000 0.269 207 T C 1.664 176.079 174.700 -0.475 0.000 1.052 207 T CA 1.644 63.186 62.100 -0.930 0.000 1.136 207 T CB -0.193 68.225 68.868 -0.750 0.000 0.864 207 T HN 0.581 nan 8.240 nan 0.000 0.467 208 S N 0.602 116.109 115.700 -0.320 0.000 2.522 208 S HA 0.148 4.620 4.470 0.003 0.000 0.227 208 S C 1.091 175.573 174.600 -0.197 0.000 0.986 208 S CA 0.054 58.114 58.200 -0.233 0.000 0.929 208 S CB -0.467 62.599 63.200 -0.222 0.000 0.769 208 S HN 0.538 nan 8.310 nan 0.000 0.529 209 S N 1.525 117.112 115.700 -0.188 0.000 2.580 209 S HA 0.334 4.805 4.470 0.003 0.000 0.274 209 S C 1.292 175.864 174.600 -0.046 0.000 1.329 209 S CA -0.061 58.064 58.200 -0.124 0.000 1.036 209 S CB 1.027 64.147 63.200 -0.133 0.000 0.919 209 S HN 0.560 nan 8.310 nan 0.000 0.515 210 S N 2.861 118.537 115.700 -0.039 0.000 2.522 210 S HA 0.094 4.565 4.470 0.003 0.000 0.227 210 S C 1.449 176.041 174.600 -0.013 0.000 0.986 210 S CA 0.496 58.687 58.200 -0.015 0.000 0.929 210 S CB -0.338 62.855 63.200 -0.012 0.000 0.769 210 S HN 0.875 nan 8.310 nan 0.000 0.529 211 G N -0.136 108.636 108.800 -0.045 0.000 3.189 211 G HA2 0.160 4.121 3.960 0.003 0.000 0.225 211 G HA3 0.160 4.121 3.960 0.003 0.000 0.225 211 G C -0.056 174.847 174.900 0.005 0.000 1.159 211 G CA -0.588 44.468 45.100 -0.074 0.000 0.763 211 G HN 0.524 nan 8.290 nan 0.000 0.549 212 Y N 1.344 121.597 120.300 -0.078 0.000 2.620 212 Y HA 0.359 4.911 4.550 0.003 0.000 0.330 212 Y C -0.481 175.419 175.900 -0.000 0.000 1.186 212 Y CA -0.253 57.824 58.100 -0.037 0.000 1.467 212 Y CB 0.930 39.351 38.460 -0.065 0.000 1.262 212 Y HN -0.120 nan 8.280 nan 0.000 0.550 213 V N 8.175 127.727 119.914 -0.604 0.000 2.409 213 V HA 0.363 4.485 4.120 0.003 0.000 0.290 213 V C 0.704 176.293 176.094 -0.842 0.000 1.017 213 V CA -0.150 61.819 62.300 -0.551 0.000 0.841 213 V CB 0.737 32.379 31.823 -0.302 0.000 1.003 213 V HN 1.045 nan 8.190 nan 0.000 0.426 214 A N 3.961 126.290 122.820 -0.819 0.000 1.908 214 A HA -0.138 4.183 4.320 0.003 0.000 0.218 214 A C 2.361 179.810 177.584 -0.226 0.000 1.181 214 A CA 2.382 54.123 52.037 -0.494 0.000 0.627 214 A CB -0.376 18.553 19.000 -0.119 0.000 0.818 214 A HN 1.056 nan 8.150 nan 0.000 0.445 215 S N 0.092 115.684 115.700 -0.179 0.000 2.368 215 S HA 0.054 4.526 4.470 0.003 0.000 0.224 215 S C 2.110 176.644 174.600 -0.110 0.000 1.029 215 S CA 1.372 59.511 58.200 -0.101 0.000 0.988 215 S CB -0.692 62.463 63.200 -0.076 0.000 0.838 215 S HN 0.907 nan 8.310 nan 0.000 0.462 216 A N 2.105 124.795 122.820 -0.217 0.000 1.898 216 A HA 0.406 4.728 4.320 0.003 0.000 0.216 216 A C 2.549 179.994 177.584 -0.231 0.000 1.181 216 A CA 1.576 53.395 52.037 -0.363 0.000 0.620 216 A CB -1.471 16.995 19.000 -0.891 0.000 0.819 216 A HN 0.863 nan 8.150 nan 0.000 0.442 217 A N -0.000 122.811 122.820 -0.015 0.000 1.902 217 A HA 0.131 4.453 4.320 0.003 0.000 0.217 217 A C 2.493 180.120 177.584 0.072 0.000 1.181 217 A CA 2.175 54.322 52.037 0.183 0.000 0.623 217 A CB -0.985 18.094 19.000 0.132 0.000 0.818 217 A HN 1.025 nan 8.150 nan 0.000 0.443 218 A N -0.781 122.051 122.820 0.020 0.000 1.898 218 A HA 0.039 4.361 4.320 0.003 0.000 0.216 218 A C 2.115 179.734 177.584 0.057 0.000 1.181 218 A CA 1.662 53.725 52.037 0.043 0.000 0.620 218 A CB -0.542 18.480 19.000 0.038 0.000 0.819 218 A HN 0.654 nan 8.150 nan 0.000 0.442 219 L N -0.274 120.976 121.223 0.044 0.000 2.056 219 L HA 0.037 4.379 4.340 0.003 0.000 0.207 219 L C 2.613 179.519 176.870 0.060 0.000 1.078 219 L CA 2.065 56.953 54.840 0.080 0.000 0.749 219 L CB -0.878 41.268 42.059 0.145 0.000 0.901 219 L HN 0.323 nan 8.230 nan 0.000 0.433 220 A N -0.405 122.375 122.820 -0.067 0.000 1.902 220 A HA -0.203 4.119 4.320 0.003 0.000 0.217 220 A C 2.082 179.541 177.584 -0.208 0.000 1.181 220 A CA 1.758 53.539 52.037 -0.426 0.000 0.623 220 A CB -0.759 17.762 19.000 -0.800 0.000 0.818 220 A HN 0.575 nan 8.150 nan 0.000 0.443 221 N N 0.350 119.091 118.700 0.069 0.000 2.120 221 N HA -0.180 4.562 4.740 0.003 0.000 0.188 221 N C 1.787 177.516 175.510 0.365 0.000 1.024 221 N CA 1.731 54.964 53.050 0.305 0.000 0.852 221 N CB -0.462 38.124 38.487 0.165 0.000 1.003 221 N HN 0.857 nan 8.380 nan 0.000 0.424 222 E N 0.910 121.249 120.200 0.231 0.000 2.150 222 E HA -0.106 4.245 4.350 0.003 0.000 0.193 222 E C 1.831 178.551 176.600 0.199 0.000 0.985 222 E CA 0.670 57.201 56.400 0.218 0.000 0.814 222 E CB -0.182 29.611 29.700 0.156 0.000 0.752 222 E HN 0.234 nan 8.360 nan 0.000 0.466 223 R N 0.494 121.096 120.500 0.171 0.000 2.073 223 R HA -0.061 4.280 4.340 0.003 0.000 0.234 223 R C 2.483 178.937 176.300 0.258 0.000 1.134 223 R CA 2.080 58.294 56.100 0.190 0.000 0.952 223 R CB -0.457 29.949 30.300 0.176 0.000 0.850 223 R HN 0.213 nan 8.270 nan 0.000 0.433 224 T N 1.516 116.245 114.554 0.292 0.000 2.720 224 T HA -0.118 4.233 4.350 0.003 0.000 0.268 224 T C 1.816 176.689 174.700 0.287 0.000 1.037 224 T CA 1.154 63.446 62.100 0.321 0.000 1.144 224 T CB -0.128 69.009 68.868 0.448 0.000 0.864 224 T HN 0.136 nan 8.240 nan 0.000 0.444 225 L N 0.595 121.973 121.223 0.259 0.000 2.109 225 L HA -0.061 4.280 4.340 0.003 0.000 0.207 225 L C 2.400 179.387 176.870 0.195 0.000 1.086 225 L CA 0.981 55.926 54.840 0.176 0.000 0.760 225 L CB -0.472 41.688 42.059 0.169 0.000 0.910 225 L HN 0.134 nan 8.230 nan 0.000 0.437 226 D N -0.308 120.216 120.400 0.207 0.000 2.178 226 D HA -0.195 4.446 4.640 0.003 0.000 0.202 226 D C 1.860 178.285 176.300 0.208 0.000 0.974 226 D CA 1.104 55.212 54.000 0.180 0.000 0.841 226 D CB -0.054 40.848 40.800 0.171 0.000 0.953 226 D HN 0.215 nan 8.370 nan 0.000 0.478 227 F N 0.741 120.741 119.950 0.083 0.000 2.206 227 F HA 0.024 4.553 4.527 0.003 0.000 0.298 227 F C 1.918 177.747 175.800 0.049 0.000 1.090 227 F CA 0.859 58.895 58.000 0.059 0.000 1.323 227 F CB 0.013 39.041 39.000 0.047 0.000 1.028 227 F HN -0.131 nan 8.300 nan 0.000 0.492 228 L N -0.380 120.930 121.223 0.145 0.000 2.341 228 L HA 0.032 4.374 4.340 0.003 0.000 0.214 228 L C 2.685 179.632 176.870 0.128 0.000 1.115 228 L CA 0.661 55.535 54.840 0.057 0.000 0.820 228 L CB -1.005 41.060 42.059 0.009 0.000 0.944 228 L HN 0.181 nan 8.230 nan 0.000 0.452 229 A N 1.098 123.998 122.820 0.133 0.000 1.997 229 A HA -0.161 4.161 4.320 0.003 0.000 0.221 229 A C -0.169 177.417 177.584 0.004 0.000 1.172 229 A CA 1.700 53.782 52.037 0.075 0.000 0.645 229 A CB -1.649 17.384 19.000 0.055 0.000 0.813 229 A HN 0.278 nan 8.150 nan 0.000 0.454 230 P HA -0.053 nan 4.420 nan 0.000 0.230 230 P C 1.092 178.364 177.300 -0.047 0.000 1.158 230 P CA 0.582 63.652 63.100 -0.051 0.000 0.769 230 P CB -0.060 31.588 31.700 -0.087 0.000 0.807 231 L N -1.520 119.688 121.223 -0.025 0.000 2.291 231 L HA -0.065 4.276 4.340 0.003 0.000 0.214 231 L C 1.124 177.986 176.870 -0.014 0.000 1.120 231 L CA 0.655 55.492 54.840 -0.005 0.000 0.799 231 L CB -0.684 41.405 42.059 0.050 0.000 0.925 231 L HN 0.075 nan 8.230 nan 0.000 0.446 232 Q N 0.906 120.677 119.800 -0.047 0.000 2.311 232 Q HA 0.107 4.448 4.340 0.003 0.000 0.272 232 Q C 0.487 176.447 176.000 -0.067 0.000 1.012 232 Q CA -0.285 55.457 55.803 -0.101 0.000 0.891 232 Q CB 1.023 29.657 28.738 -0.172 0.000 1.201 232 Q HN 0.297 nan 8.270 nan 0.000 0.391 233 S N 0.000 115.663 115.700 -0.061 0.000 2.498 233 S HA 0.000 4.472 4.470 0.003 0.000 0.327 233 S CA 0.000 58.174 58.200 -0.043 0.000 1.107 233 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 233 S HN 0.000 nan 8.310 nan 0.000 0.517