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 3n25_1_H DATA FIRST_RESID 11 DATA SEQUENCE FIQTQQLHAA MADTFLEHKC RLDIDSAPIT ARNTGIICTI GPASRSVETL DATA SEQUENCE KEMIKSGMNV ARMNFSHGTH EYHAETIKNV RTATESFASD PILYRPVAVA DATA SEQUENCE LDTKGPEIRT GLIKGSGTAE VELKKGATLK ITLDNAYMEK CDENILWLDY DATA SEQUENCE KNICKVVDVG SKVYVDDGLI SLQVKQKGXD FLVTEVENGG FLGSKKGVNL DATA SEQUENCE PGAAVDLPAV SEKDIQDLKF GVEQDVDMVF ASFIRKAADV HEVRKILGEK DATA SEQUENCE GKNIKIISKI ENHEGVRRFD EILEASDGIM VARGDLGIEI PAEKVFLAQK DATA SEQUENCE MIIGRCNRAG KPVICATQML ESMIKKPRPT RAEGSDVANA VLDGADCIML DATA SEQUENCE SGETAKGDYP LEAVRMQHLI AREAEAAMFH RKLFEELARA SSQSTDLMEA DATA SEQUENCE MAMGSVEASY KCLAAALIVL TESGRSAHQV ARYRPRAPII AVTRNHQTAR DATA SEQUENCE QAHLYRGIFP VVCKDPVQEA WAEDVDLRVN LAMNVGKARG FFKKGDVVIV DATA SEQUENCE LTGWRPGSGF TNTMRVVPVP 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.769 175.800 -0.051 0.000 0.967 11 F CA 0.000 57.979 58.000 -0.035 0.000 1.383 11 F CB 0.000 38.983 39.000 -0.029 0.000 1.145 12 I N 5.136 125.431 120.570 -0.459 0.000 2.342 12 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 12 I C 0.377 176.012 176.117 -0.804 0.000 1.010 12 I CA -0.412 60.584 61.300 -0.506 0.000 1.308 12 I CB 1.314 39.151 38.000 -0.272 0.000 1.400 12 I HN 0.522 nan 8.210 nan 0.000 0.488 13 Q N 4.260 123.626 119.800 -0.724 0.000 2.300 13 Q HA 0.072 4.412 4.340 -0.000 0.000 0.280 13 Q C 0.287 176.110 176.000 -0.296 0.000 1.033 13 Q CA 0.063 55.530 55.803 -0.559 0.000 0.903 13 Q CB 0.680 29.278 28.738 -0.233 0.000 1.195 13 Q HN 0.739 nan 8.270 nan 0.000 0.386 14 T N 0.412 114.845 114.554 -0.201 0.000 2.802 14 T HA 0.008 4.358 4.350 -0.000 0.000 0.305 14 T C 0.368 175.038 174.700 -0.051 0.000 1.053 14 T CA -0.570 61.475 62.100 -0.092 0.000 1.058 14 T CB 0.971 69.824 68.868 -0.024 0.000 0.988 14 T HN 0.815 nan 8.240 nan 0.000 0.539 15 Q N 0.500 120.280 119.800 -0.033 0.000 2.475 15 Q HA -0.238 4.102 4.340 -0.000 0.000 0.280 15 Q C -0.315 175.684 176.000 -0.001 0.000 1.234 15 Q CA 0.507 56.305 55.803 -0.009 0.000 0.873 15 Q CB -1.226 27.514 28.738 0.004 0.000 1.256 15 Q HN 0.826 nan 8.270 nan 0.000 0.475 16 Q N -1.897 117.885 119.800 -0.029 0.000 2.411 16 Q HA -0.248 4.092 4.340 -0.000 0.000 0.305 16 Q C 0.551 176.544 176.000 -0.011 0.000 1.273 16 Q CA 1.539 57.316 55.803 -0.043 0.000 0.895 16 Q CB -1.709 26.993 28.738 -0.059 0.000 1.198 16 Q HN 0.713 nan 8.270 nan 0.000 0.470 17 L N -1.380 119.846 121.223 0.004 0.000 2.313 17 L HA -0.094 4.246 4.340 -0.000 0.000 0.214 17 L C 2.382 179.284 176.870 0.054 0.000 1.119 17 L CA 0.814 55.673 54.840 0.032 0.000 0.809 17 L CB -0.325 41.755 42.059 0.033 0.000 0.933 17 L HN 0.501 nan 8.230 nan 0.000 0.449 18 H N 0.207 119.235 119.070 -0.069 0.000 2.333 18 H HA -0.117 4.439 4.556 -0.000 0.000 0.302 18 H C 2.146 177.421 175.328 -0.089 0.000 1.075 18 H CA 1.339 57.344 56.048 -0.072 0.000 1.348 18 H CB 0.487 30.190 29.762 -0.099 0.000 1.393 18 H HN 0.318 nan 8.280 nan 0.000 0.509 19 A N 1.294 123.984 122.820 -0.216 0.000 1.933 19 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 19 A C 2.645 180.144 177.584 -0.142 0.000 1.175 19 A CA 1.490 53.286 52.037 -0.402 0.000 0.628 19 A CB -1.009 17.541 19.000 -0.749 0.000 0.814 19 A HN 0.581 nan 8.150 nan 0.000 0.444 20 A N -0.894 121.940 122.820 0.024 0.000 1.997 20 A HA -0.196 4.123 4.320 -0.000 0.000 0.221 20 A C 1.930 179.616 177.584 0.171 0.000 1.172 20 A CA 2.083 54.230 52.037 0.182 0.000 0.645 20 A CB -0.448 18.628 19.000 0.126 0.000 0.813 20 A HN 0.432 nan 8.150 nan 0.000 0.454 21 M N -0.508 119.119 119.600 0.046 0.000 2.561 21 M HA 0.269 4.749 4.480 -0.000 0.000 0.238 21 M C 1.007 177.330 176.300 0.038 0.000 1.131 21 M CA -0.101 55.223 55.300 0.040 0.000 1.046 21 M CB -1.542 31.053 32.600 -0.008 0.000 1.532 21 M HN 0.395 nan 8.290 nan 0.000 0.497 22 A N 0.822 123.660 122.820 0.030 0.000 2.425 22 A HA 0.105 4.425 4.320 -0.000 0.000 0.242 22 A C 0.865 178.597 177.584 0.247 0.000 1.077 22 A CA -0.027 52.031 52.037 0.035 0.000 0.781 22 A CB 0.337 19.279 19.000 -0.097 0.000 1.020 22 A HN 0.319 nan 8.150 nan 0.000 0.494 23 D N -0.390 120.114 120.400 0.174 0.000 2.305 23 D HA 0.048 4.688 4.640 -0.000 0.000 0.206 23 D C 0.701 177.150 176.300 0.250 0.000 0.974 23 D CA 1.710 55.822 54.000 0.187 0.000 0.871 23 D CB 0.206 41.066 40.800 0.099 0.000 0.947 23 D HN 0.741 nan 8.370 nan 0.000 0.516 24 T N -3.315 111.408 114.554 0.281 0.000 2.906 24 T HA 0.256 4.606 4.350 -0.000 0.000 0.295 24 T C 0.604 175.547 174.700 0.405 0.000 1.061 24 T CA -0.820 61.467 62.100 0.311 0.000 1.000 24 T CB 1.534 70.507 68.868 0.175 0.000 1.103 24 T HN -0.229 nan 8.240 nan 0.000 0.486 25 F N 1.223 121.364 119.950 0.317 0.000 2.126 25 F HA 0.011 4.538 4.527 -0.000 0.000 0.299 25 F C 1.943 177.791 175.800 0.079 0.000 1.096 25 F CA 1.355 59.492 58.000 0.229 0.000 1.255 25 F CB -0.443 38.678 39.000 0.201 0.000 0.997 25 F HN 0.587 nan 8.300 nan 0.000 0.479 26 L N 0.614 121.918 121.223 0.135 0.000 1.989 26 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 26 L C 2.283 179.107 176.870 -0.078 0.000 1.071 26 L CA 2.388 57.230 54.840 0.003 0.000 0.749 26 L CB -1.115 40.975 42.059 0.051 0.000 0.890 26 L HN 0.186 nan 8.230 nan 0.000 0.431 27 E N -1.478 118.697 120.200 -0.041 0.000 2.150 27 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 27 E C 2.176 178.660 176.600 -0.193 0.000 0.985 27 E CA 1.416 57.763 56.400 -0.088 0.000 0.814 27 E CB -0.257 29.417 29.700 -0.044 0.000 0.752 27 E HN 0.730 nan 8.360 nan 0.000 0.466 28 H N 0.255 119.095 119.070 -0.383 0.000 2.319 28 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 28 H C 1.677 176.716 175.328 -0.483 0.000 1.092 28 H CA 2.357 58.041 56.048 -0.607 0.000 1.302 28 H CB 0.185 29.257 29.762 -1.150 0.000 1.373 28 H HN 0.048 nan 8.280 nan 0.000 0.497 29 K N -0.642 119.486 120.400 -0.452 0.000 2.026 29 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 29 K C 2.425 178.855 176.600 -0.284 0.000 1.048 29 K CA 1.376 57.430 56.287 -0.390 0.000 0.929 29 K CB -0.302 31.995 32.500 -0.338 0.000 0.713 29 K HN 0.313 nan 8.250 nan 0.000 0.439 30 C N 0.778 119.946 119.300 -0.220 0.000 2.409 30 C HA -0.042 4.418 4.460 -0.000 0.000 0.288 30 C C 2.145 177.046 174.990 -0.148 0.000 1.395 30 C CA 0.592 59.520 59.018 -0.150 0.000 1.792 30 C CB -1.005 26.671 27.740 -0.106 0.000 1.847 30 C HN 0.350 nan 8.230 nan 0.000 0.534 31 R N -0.497 119.873 120.500 -0.217 0.000 2.334 31 R HA 0.249 4.589 4.340 -0.000 0.000 0.212 31 R C 0.124 176.310 176.300 -0.189 0.000 0.897 31 R CA -0.190 55.807 56.100 -0.171 0.000 1.056 31 R CB 0.068 30.214 30.300 -0.257 0.000 1.046 31 R HN 0.458 nan 8.270 nan 0.000 0.513 32 L N 2.171 123.240 121.223 -0.257 0.000 2.559 32 L HA -0.009 4.331 4.340 -0.000 0.000 0.274 32 L C -0.057 176.729 176.870 -0.140 0.000 1.205 32 L CA 0.435 55.141 54.840 -0.224 0.000 0.907 32 L CB 0.120 42.042 42.059 -0.227 0.000 1.153 32 L HN -0.069 nan 8.230 nan 0.000 0.490 33 D N 3.379 123.708 120.400 -0.119 0.000 2.408 33 D HA 0.236 4.876 4.640 -0.000 0.000 0.243 33 D C 0.822 177.071 176.300 -0.086 0.000 1.075 33 D CA -0.533 53.410 54.000 -0.096 0.000 0.832 33 D CB 1.702 42.444 40.800 -0.097 0.000 1.162 33 D HN 0.450 nan 8.370 nan 0.000 0.515 34 I N -0.073 120.452 120.570 -0.075 0.000 2.830 34 I HA 0.031 4.201 4.170 -0.000 0.000 0.263 34 I C 0.568 176.649 176.117 -0.061 0.000 1.230 34 I CA 0.655 61.917 61.300 -0.063 0.000 1.480 34 I CB 0.169 38.137 38.000 -0.054 0.000 1.095 34 I HN 0.035 nan 8.210 nan 0.000 0.455 35 D N 1.208 121.566 120.400 -0.069 0.000 2.328 35 D HA 0.060 4.700 4.640 -0.000 0.000 0.221 35 D C 0.580 176.828 176.300 -0.086 0.000 1.072 35 D CA 0.388 54.346 54.000 -0.071 0.000 0.850 35 D CB 0.434 41.191 40.800 -0.072 0.000 0.922 35 D HN 0.234 nan 8.370 nan 0.000 0.516 36 S N 0.903 116.550 115.700 -0.088 0.000 2.592 36 S HA 0.462 4.932 4.470 -0.000 0.000 0.305 36 S C 0.168 174.727 174.600 -0.068 0.000 1.118 36 S CA -0.704 57.439 58.200 -0.095 0.000 1.075 36 S CB -0.003 63.138 63.200 -0.098 0.000 1.107 36 S HN 0.207 nan 8.310 nan 0.000 0.503 37 A N 7.313 130.097 122.820 -0.060 0.000 2.565 37 A HA 0.381 4.701 4.320 -0.000 0.000 0.237 37 A C -1.874 175.692 177.584 -0.030 0.000 1.053 37 A CA -0.721 51.293 52.037 -0.037 0.000 0.755 37 A CB -0.235 18.750 19.000 -0.024 0.000 0.980 37 A HN 0.659 nan 8.150 nan 0.000 0.506 38 P HA 0.344 nan 4.420 nan 0.000 0.275 38 P C 0.071 177.362 177.300 -0.015 0.000 1.266 38 P CA -0.296 62.790 63.100 -0.023 0.000 0.793 38 P CB 0.402 32.080 31.700 -0.036 0.000 1.074 39 I N -3.160 117.399 120.570 -0.018 0.000 3.110 39 I HA 0.270 4.440 4.170 -0.000 0.000 0.314 39 I C 1.149 177.260 176.117 -0.011 0.000 1.020 39 I CA -0.612 60.681 61.300 -0.012 0.000 1.169 39 I CB -0.203 37.781 38.000 -0.027 0.000 1.437 39 I HN 0.143 nan 8.210 nan 0.000 0.595 40 T N 1.534 116.102 114.554 0.023 0.000 2.770 40 T HA 0.054 4.404 4.350 -0.000 0.000 0.263 40 T C 1.117 175.855 174.700 0.063 0.000 1.039 40 T CA 1.045 63.199 62.100 0.090 0.000 1.142 40 T CB -0.351 68.628 68.868 0.185 0.000 0.868 40 T HN 0.762 nan 8.240 nan 0.000 0.435 41 A N 2.046 124.761 122.820 -0.175 0.000 2.520 41 A HA 0.403 4.722 4.320 -0.000 0.000 0.235 41 A C 0.602 178.074 177.584 -0.187 0.000 1.065 41 A CA -0.062 51.679 52.037 -0.492 0.000 0.764 41 A CB 0.120 18.448 19.000 -1.121 0.000 1.002 41 A HN 0.299 nan 8.150 nan 0.000 0.502 42 R N 1.949 122.406 120.500 -0.071 0.000 2.502 42 R HA 0.247 4.587 4.340 -0.000 0.000 0.300 42 R C -0.892 175.451 176.300 0.071 0.000 0.984 42 R CA -0.595 55.507 56.100 0.003 0.000 0.882 42 R CB 0.955 31.292 30.300 0.061 0.000 1.180 42 R HN 0.863 nan 8.270 nan 0.000 0.444 43 N N 1.063 119.794 118.700 0.052 0.000 2.388 43 N HA 0.021 4.761 4.740 -0.000 0.000 0.176 43 N C -0.419 175.162 175.510 0.118 0.000 1.062 43 N CA 0.509 53.617 53.050 0.096 0.000 0.895 43 N CB 0.612 39.149 38.487 0.083 0.000 1.018 43 N HN 0.452 nan 8.380 nan 0.000 0.456 44 T N 0.947 115.556 114.554 0.091 0.000 2.737 44 T HA 0.342 4.692 4.350 -0.000 0.000 0.296 44 T C 0.803 175.562 174.700 0.097 0.000 0.922 44 T CA -0.555 61.594 62.100 0.081 0.000 1.079 44 T CB 1.034 69.932 68.868 0.050 0.000 0.892 44 T HN 0.102 nan 8.240 nan 0.000 0.514 45 G N 3.031 111.892 108.800 0.101 0.000 2.380 45 G HA2 0.424 4.384 3.960 -0.000 0.000 0.242 45 G HA3 0.424 4.384 3.960 -0.000 0.000 0.242 45 G C -0.311 174.618 174.900 0.048 0.000 1.298 45 G CA -0.460 44.694 45.100 0.091 0.000 0.878 45 G HN 0.766 nan 8.290 nan 0.000 0.542 46 I N 2.333 122.917 120.570 0.023 0.000 2.362 46 I HA 0.305 4.475 4.170 -0.000 0.000 0.289 46 I C -0.040 176.080 176.117 0.006 0.000 0.994 46 I CA -0.500 60.812 61.300 0.020 0.000 1.158 46 I CB 1.753 39.773 38.000 0.033 0.000 1.315 46 I HN 0.225 nan 8.210 nan 0.000 0.451 47 I N 5.689 126.277 120.570 0.030 0.000 2.339 47 I HA 0.346 4.515 4.170 -0.000 0.000 0.290 47 I C -0.753 175.404 176.117 0.068 0.000 0.994 47 I CA -0.432 60.907 61.300 0.064 0.000 1.191 47 I CB 1.421 39.478 38.000 0.095 0.000 1.343 47 I HN 0.507 nan 8.210 nan 0.000 0.458 48 C N 4.176 123.519 119.300 0.071 0.000 2.301 48 C HA 0.326 4.786 4.460 -0.000 0.000 0.323 48 C C 0.816 175.864 174.990 0.096 0.000 1.265 48 C CA -0.543 58.517 59.018 0.071 0.000 1.503 48 C CB 0.819 28.588 27.740 0.048 0.000 2.195 48 C HN 0.688 nan 8.230 nan 0.000 0.477 49 T N 5.519 120.137 114.554 0.107 0.000 2.769 49 T HA 0.197 4.547 4.350 -0.000 0.000 0.293 49 T C 0.395 175.163 174.700 0.113 0.000 0.931 49 T CA 0.082 62.258 62.100 0.127 0.000 1.139 49 T CB -0.139 68.805 68.868 0.126 0.000 0.881 49 T HN 0.361 nan 8.240 nan 0.000 0.532 50 I N 3.526 124.172 120.570 0.127 0.000 2.365 50 I HA 0.589 4.759 4.170 -0.000 0.000 0.291 50 I C 0.969 177.173 176.117 0.145 0.000 1.004 50 I CA -0.162 61.207 61.300 0.115 0.000 1.311 50 I CB 0.640 38.701 38.000 0.103 0.000 1.401 50 I HN 0.786 nan 8.210 nan 0.000 0.491 51 G N 6.482 115.353 108.800 0.119 0.000 2.976 51 G HA2 0.481 4.441 3.960 -0.000 0.000 0.276 51 G HA3 0.481 4.441 3.960 -0.000 0.000 0.276 51 G C -2.531 172.436 174.900 0.111 0.000 1.207 51 G CA -0.348 44.838 45.100 0.144 0.000 0.803 51 G HN 0.279 nan 8.290 nan 0.000 0.572 52 P HA 0.001 nan 4.420 nan 0.000 0.216 52 P C 1.774 179.094 177.300 0.033 0.000 1.150 52 P CA 2.241 65.386 63.100 0.074 0.000 0.837 52 P CB 0.108 31.840 31.700 0.053 0.000 0.786 53 A N -0.724 122.110 122.820 0.024 0.000 2.235 53 A HA 0.024 4.344 4.320 -0.000 0.000 0.208 53 A C 1.688 179.281 177.584 0.016 0.000 1.172 53 A CA 1.488 53.530 52.037 0.008 0.000 0.786 53 A CB -0.847 18.150 19.000 -0.005 0.000 0.804 53 A HN 0.327 nan 8.150 nan 0.000 0.479 54 S N -2.626 113.090 115.700 0.027 0.000 2.817 54 S HA 0.226 4.695 4.470 -0.000 0.000 0.262 54 S C 1.285 175.899 174.600 0.025 0.000 1.051 54 S CA -0.279 57.939 58.200 0.030 0.000 1.185 54 S CB -0.179 63.047 63.200 0.042 0.000 1.152 54 S HN 0.462 nan 8.310 nan 0.000 0.653 55 R N 2.533 123.040 120.500 0.012 0.000 2.092 55 R HA 0.035 4.374 4.340 -0.000 0.000 0.231 55 R C 1.012 177.298 176.300 -0.024 0.000 1.119 55 R CA 1.215 57.303 56.100 -0.020 0.000 0.970 55 R CB -0.247 30.018 30.300 -0.059 0.000 0.864 55 R HN 0.632 nan 8.270 nan 0.000 0.440 56 S N -0.220 115.473 115.700 -0.013 0.000 2.572 56 S HA 0.024 4.494 4.470 -0.000 0.000 0.279 56 S C 1.527 176.127 174.600 -0.000 0.000 1.341 56 S CA -0.727 57.465 58.200 -0.012 0.000 1.043 56 S CB 1.625 64.821 63.200 -0.008 0.000 0.887 56 S HN -0.078 nan 8.310 nan 0.000 0.516 57 V N 2.250 122.162 119.914 -0.003 0.000 2.407 57 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 57 V C 2.778 178.880 176.094 0.013 0.000 1.055 57 V CA 2.255 64.559 62.300 0.006 0.000 1.049 57 V CB -1.250 30.571 31.823 -0.004 0.000 0.662 57 V HN 1.068 nan 8.190 nan 0.000 0.455 58 E N 0.449 120.653 120.200 0.006 0.000 2.038 58 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 58 E C 2.199 178.816 176.600 0.029 0.000 1.000 58 E CA 2.219 58.626 56.400 0.011 0.000 0.803 58 E CB -0.249 29.454 29.700 0.005 0.000 0.750 58 E HN 0.604 nan 8.360 nan 0.000 0.448 59 T N 1.671 116.240 114.554 0.026 0.000 2.788 59 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 59 T C 1.988 176.715 174.700 0.046 0.000 1.044 59 T CA 1.198 63.318 62.100 0.033 0.000 1.139 59 T CB -0.184 68.698 68.868 0.024 0.000 0.867 59 T HN 0.143 nan 8.240 nan 0.000 0.454 60 L N 0.354 121.606 121.223 0.048 0.000 2.093 60 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 60 L C 2.615 179.548 176.870 0.105 0.000 1.085 60 L CA 1.287 56.165 54.840 0.062 0.000 0.755 60 L CB -0.402 41.690 42.059 0.055 0.000 0.904 60 L HN 0.193 nan 8.230 nan 0.000 0.435 61 K N -0.249 120.231 120.400 0.133 0.000 2.020 61 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 61 K C 2.071 178.803 176.600 0.221 0.000 1.050 61 K CA 1.530 57.971 56.287 0.256 0.000 0.929 61 K CB -0.182 32.411 32.500 0.155 0.000 0.714 61 K HN 0.203 nan 8.250 nan 0.000 0.443 62 E N 0.584 120.860 120.200 0.127 0.000 2.110 62 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 62 E C 2.003 178.629 176.600 0.045 0.000 0.988 62 E CA 1.247 57.697 56.400 0.084 0.000 0.804 62 E CB -0.169 29.568 29.700 0.062 0.000 0.745 62 E HN 0.410 nan 8.360 nan 0.000 0.458 63 M N -0.097 119.528 119.600 0.041 0.000 2.117 63 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 63 M C 2.444 178.730 176.300 -0.023 0.000 1.065 63 M CA 1.251 56.560 55.300 0.014 0.000 1.114 63 M CB -0.504 32.110 32.600 0.024 0.000 1.361 63 M HN 0.044 nan 8.290 nan 0.000 0.408 64 I N 0.527 121.081 120.570 -0.027 0.000 2.163 64 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 64 I C 2.361 178.370 176.117 -0.180 0.000 1.085 64 I CA 1.569 62.799 61.300 -0.116 0.000 1.347 64 I CB -0.416 37.499 38.000 -0.141 0.000 1.044 64 I HN 0.260 nan 8.210 nan 0.000 0.408 65 K N 0.252 120.561 120.400 -0.151 0.000 2.147 65 K HA -0.081 4.238 4.320 -0.000 0.000 0.205 65 K C 2.114 178.637 176.600 -0.128 0.000 1.049 65 K CA 1.487 57.682 56.287 -0.153 0.000 0.936 65 K CB -0.144 32.325 32.500 -0.052 0.000 0.722 65 K HN 0.179 nan 8.250 nan 0.000 0.446 66 S N -0.856 114.788 115.700 -0.093 0.000 2.489 66 S HA 0.041 4.511 4.470 -0.000 0.000 0.228 66 S C 1.281 175.788 174.600 -0.155 0.000 0.995 66 S CA 0.885 59.022 58.200 -0.105 0.000 0.934 66 S CB 0.607 63.784 63.200 -0.038 0.000 0.771 66 S HN 0.630 nan 8.310 nan 0.000 0.522 67 G N 0.543 109.264 108.800 -0.132 0.000 2.935 67 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.213 67 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.213 67 G C 0.113 174.972 174.900 -0.069 0.000 0.984 67 G CA -0.350 44.689 45.100 -0.102 0.000 0.790 67 G HN 0.352 nan 8.290 nan 0.000 0.538 68 M N 1.651 121.206 119.600 -0.074 0.000 2.284 68 M HA 0.229 4.709 4.480 -0.000 0.000 0.351 68 M C 1.031 177.229 176.300 -0.171 0.000 1.443 68 M CA 1.011 56.262 55.300 -0.081 0.000 1.031 68 M CB 0.119 32.690 32.600 -0.048 0.000 1.893 68 M HN 0.316 nan 8.290 nan 0.000 0.456 69 N N 2.487 121.049 118.700 -0.230 0.000 2.482 69 N HA 0.148 4.887 4.740 -0.000 0.000 0.179 69 N C -0.939 174.340 175.510 -0.385 0.000 1.039 69 N CA -0.040 52.681 53.050 -0.548 0.000 0.884 69 N CB 0.809 38.910 38.487 -0.645 0.000 1.113 69 N HN 0.413 nan 8.380 nan 0.000 0.440 70 V N 0.861 120.691 119.914 -0.140 0.000 2.638 70 V HA 0.652 4.772 4.120 -0.000 0.000 0.306 70 V C -0.829 175.282 176.094 0.028 0.000 1.052 70 V CA -1.211 61.081 62.300 -0.014 0.000 0.885 70 V CB 1.556 33.427 31.823 0.081 0.000 0.999 70 V HN 0.085 nan 8.190 nan 0.000 0.424 71 A N 4.678 127.518 122.820 0.034 0.000 2.276 71 A HA 0.710 5.030 4.320 -0.000 0.000 0.300 71 A C 0.072 177.695 177.584 0.066 0.000 1.235 71 A CA -0.467 51.603 52.037 0.055 0.000 0.867 71 A CB 0.340 19.371 19.000 0.052 0.000 1.137 71 A HN 0.853 nan 8.150 nan 0.000 0.527 72 R N 3.220 123.786 120.500 0.110 0.000 2.295 72 R HA 0.549 4.889 4.340 -0.000 0.000 0.324 72 R C -1.407 174.985 176.300 0.154 0.000 0.968 72 R CA -0.542 55.638 56.100 0.134 0.000 0.837 72 R CB 0.606 31.072 30.300 0.277 0.000 1.133 72 R HN 0.638 nan 8.270 nan 0.000 0.450 73 M N 3.825 123.511 119.600 0.143 0.000 2.066 73 M HA 0.228 4.708 4.480 -0.000 0.000 0.340 73 M C -0.466 175.976 176.300 0.236 0.000 1.053 73 M CA -0.600 54.835 55.300 0.225 0.000 0.983 73 M CB 1.275 34.053 32.600 0.296 0.000 1.520 73 M HN 0.365 nan 8.290 nan 0.000 0.428 74 N N 2.539 121.376 118.700 0.229 0.000 2.437 74 N HA 0.173 4.913 4.740 -0.000 0.000 0.243 74 N C -0.612 175.006 175.510 0.181 0.000 1.041 74 N CA -0.010 53.181 53.050 0.236 0.000 0.940 74 N CB 0.186 38.816 38.487 0.239 0.000 1.133 74 N HN 0.464 nan 8.380 nan 0.000 0.506 75 F N 1.365 121.276 119.950 -0.066 0.000 2.725 75 F HA 0.139 4.666 4.527 -0.000 0.000 0.303 75 F C 1.944 177.743 175.800 -0.001 0.000 1.167 75 F CA 0.038 57.990 58.000 -0.081 0.000 1.403 75 F CB -0.024 38.892 39.000 -0.141 0.000 1.077 75 F HN 0.447 nan 8.300 nan 0.000 0.537 76 S N -1.503 114.250 115.700 0.088 0.000 2.453 76 S HA -0.034 4.436 4.470 -0.000 0.000 0.231 76 S C 0.138 174.441 174.600 -0.495 0.000 1.005 76 S CA 0.755 58.849 58.200 -0.177 0.000 0.949 76 S CB -0.272 62.786 63.200 -0.237 0.000 0.774 76 S HN 0.414 nan 8.310 nan 0.000 0.510 77 H N -1.288 117.825 119.070 0.072 0.000 2.949 77 H HA 0.613 5.169 4.556 -0.000 0.000 0.356 77 H C 0.304 175.609 175.328 -0.039 0.000 1.212 77 H CA -0.249 55.796 56.048 -0.005 0.000 1.136 77 H CB 0.942 30.674 29.762 -0.050 0.000 1.869 77 H HN 0.205 nan 8.280 nan 0.000 0.556 78 G N 0.302 109.053 108.800 -0.081 0.000 2.733 78 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.686 78 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.686 78 G C -0.037 174.774 174.900 -0.148 0.000 1.373 78 G CA -0.427 44.454 45.100 -0.365 0.000 0.838 78 G HN 0.909 nan 8.290 nan 0.000 0.588 79 T N -1.758 112.714 114.554 -0.137 0.000 2.897 79 T HA 0.591 4.941 4.350 -0.000 0.000 0.278 79 T C 1.357 176.089 174.700 0.054 0.000 0.981 79 T CA 0.366 62.465 62.100 -0.002 0.000 0.973 79 T CB 1.332 70.195 68.868 -0.009 0.000 1.092 79 T HN 0.677 nan 8.240 nan 0.000 0.543 80 H N -0.324 118.639 119.070 -0.179 0.000 2.352 80 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 80 H C 2.257 177.465 175.328 -0.200 0.000 1.097 80 H CA 1.750 57.529 56.048 -0.448 0.000 1.311 80 H CB 0.201 29.581 29.762 -0.636 0.000 1.377 80 H HN 0.821 nan 8.280 nan 0.000 0.504 81 E N 0.597 120.834 120.200 0.062 0.000 2.085 81 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 81 E C 1.985 178.624 176.600 0.066 0.000 0.994 81 E CA 1.093 57.543 56.400 0.083 0.000 0.801 81 E CB -0.153 29.584 29.700 0.062 0.000 0.743 81 E HN 0.450 nan 8.360 nan 0.000 0.453 82 Y N 1.105 121.333 120.300 -0.121 0.000 2.070 82 Y HA -0.284 4.266 4.550 -0.000 0.000 0.280 82 Y C 2.458 178.233 175.900 -0.207 0.000 1.148 82 Y CA 2.370 60.337 58.100 -0.223 0.000 1.125 82 Y CB -0.376 37.839 38.460 -0.408 0.000 0.975 82 Y HN 0.214 nan 8.280 nan 0.000 0.492 83 H N -0.693 118.444 119.070 0.111 0.000 2.421 83 H HA -0.083 4.473 4.556 -0.000 0.000 0.298 83 H C 2.261 177.716 175.328 0.212 0.000 1.087 83 H CA 1.138 57.244 56.048 0.096 0.000 1.330 83 H CB -0.660 29.065 29.762 -0.063 0.000 1.388 83 H HN 0.520 nan 8.280 nan 0.000 0.526 84 A N 0.900 123.954 122.820 0.389 0.000 1.969 84 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 84 A C 2.357 180.029 177.584 0.146 0.000 1.169 84 A CA 1.392 53.651 52.037 0.370 0.000 0.635 84 A CB -0.243 19.030 19.000 0.455 0.000 0.810 84 A HN 0.420 nan 8.150 nan 0.000 0.445 85 E N -0.764 119.460 120.200 0.039 0.000 2.107 85 E HA -0.111 4.238 4.350 -0.000 0.000 0.191 85 E C 1.889 178.446 176.600 -0.071 0.000 0.982 85 E CA 1.368 57.742 56.400 -0.045 0.000 0.809 85 E CB -0.016 29.609 29.700 -0.125 0.000 0.756 85 E HN 0.568 nan 8.360 nan 0.000 0.459 86 T N 1.306 115.794 114.554 -0.109 0.000 2.708 86 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 86 T C 1.906 176.623 174.700 0.029 0.000 1.037 86 T CA 1.128 63.188 62.100 -0.066 0.000 1.146 86 T CB -0.165 68.678 68.868 -0.042 0.000 0.865 86 T HN 0.152 nan 8.240 nan 0.000 0.435 87 I N 0.884 121.503 120.570 0.083 0.000 2.226 87 I HA -0.190 3.979 4.170 -0.000 0.000 0.245 87 I C 2.653 178.802 176.117 0.053 0.000 1.100 87 I CA 1.312 62.663 61.300 0.085 0.000 1.374 87 I CB -0.306 37.760 38.000 0.110 0.000 1.057 87 I HN 0.185 nan 8.210 nan 0.000 0.413 88 K N 1.066 121.493 120.400 0.044 0.000 2.009 88 K HA -0.248 4.072 4.320 -0.000 0.000 0.210 88 K C 1.931 178.546 176.600 0.025 0.000 1.049 88 K CA 2.108 58.413 56.287 0.030 0.000 0.929 88 K CB -0.145 32.369 32.500 0.023 0.000 0.714 88 K HN 0.243 nan 8.250 nan 0.000 0.440 89 N N 0.694 119.401 118.700 0.011 0.000 2.104 89 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 89 N C 1.848 177.376 175.510 0.030 0.000 1.024 89 N CA 1.221 54.276 53.050 0.008 0.000 0.853 89 N CB -0.565 37.914 38.487 -0.014 0.000 1.008 89 N HN 0.020 nan 8.380 nan 0.000 0.424 90 V N 1.204 121.142 119.914 0.039 0.000 2.233 90 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 90 V C 2.342 178.479 176.094 0.071 0.000 1.050 90 V CA 1.710 64.043 62.300 0.055 0.000 1.010 90 V CB -0.403 31.453 31.823 0.056 0.000 0.637 90 V HN 0.260 nan 8.190 nan 0.000 0.444 91 R N -0.524 120.017 120.500 0.068 0.000 2.096 91 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 91 R C 2.395 178.748 176.300 0.089 0.000 1.127 91 R CA 1.937 58.087 56.100 0.085 0.000 0.968 91 R CB -0.638 29.703 30.300 0.068 0.000 0.861 91 R HN 0.548 nan 8.270 nan 0.000 0.440 92 T N 0.465 115.056 114.554 0.061 0.000 2.708 92 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 92 T C 1.896 176.627 174.700 0.052 0.000 1.037 92 T CA 1.429 63.556 62.100 0.045 0.000 1.146 92 T CB -0.245 68.635 68.868 0.021 0.000 0.865 92 T HN 0.385 nan 8.240 nan 0.000 0.435 93 A N 1.317 124.177 122.820 0.067 0.000 1.898 93 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 93 A C 2.557 180.260 177.584 0.199 0.000 1.181 93 A CA 2.012 54.103 52.037 0.090 0.000 0.620 93 A CB -1.252 17.814 19.000 0.110 0.000 0.819 93 A HN 0.474 nan 8.150 nan 0.000 0.442 94 T N 0.296 114.976 114.554 0.209 0.000 2.652 94 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 94 T C 1.681 176.634 174.700 0.422 0.000 1.039 94 T CA 1.586 63.854 62.100 0.280 0.000 1.153 94 T CB -0.266 68.714 68.868 0.187 0.000 0.863 94 T HN 0.462 nan 8.240 nan 0.000 0.428 95 E N 1.516 121.894 120.200 0.297 0.000 2.347 95 E HA -0.030 4.320 4.350 -0.000 0.000 0.196 95 E C 2.434 179.124 176.600 0.149 0.000 1.008 95 E CA 0.700 57.251 56.400 0.251 0.000 0.852 95 E CB -0.536 29.238 29.700 0.124 0.000 0.783 95 E HN 0.652 nan 8.360 nan 0.000 0.505 96 S N -0.405 115.324 115.700 0.049 0.000 2.500 96 S HA -0.085 4.385 4.470 -0.000 0.000 0.239 96 S C 1.356 175.791 174.600 -0.275 0.000 0.989 96 S CA 0.516 58.614 58.200 -0.169 0.000 0.951 96 S CB -0.335 62.666 63.200 -0.331 0.000 0.759 96 S HN 0.127 nan 8.310 nan 0.000 0.523 97 F N 0.653 120.694 119.950 0.152 0.000 2.704 97 F HA 0.575 5.102 4.527 -0.000 0.000 0.304 97 F C 2.259 178.215 175.800 0.260 0.000 1.094 97 F CA -0.254 57.855 58.000 0.182 0.000 1.275 97 F CB -0.228 38.870 39.000 0.164 0.000 1.073 97 F HN 0.260 nan 8.300 nan 0.000 0.586 98 A N 0.084 123.109 122.820 0.341 0.000 2.172 98 A HA -0.128 4.191 4.320 -0.000 0.000 0.216 98 A C 2.277 179.854 177.584 -0.011 0.000 1.154 98 A CA 1.581 53.617 52.037 -0.003 0.000 0.701 98 A CB -0.932 17.926 19.000 -0.237 0.000 0.789 98 A HN 0.366 nan 8.150 nan 0.000 0.465 99 S N -0.300 115.430 115.700 0.050 0.000 2.370 99 S HA -0.137 4.333 4.470 -0.000 0.000 0.226 99 S C 0.751 175.376 174.600 0.042 0.000 1.033 99 S CA 1.028 59.245 58.200 0.027 0.000 1.011 99 S CB -0.329 62.886 63.200 0.025 0.000 0.852 99 S HN 0.487 nan 8.310 nan 0.000 0.457 100 D N 2.889 123.344 120.400 0.092 0.000 2.428 100 D HA 0.330 4.970 4.640 -0.000 0.000 0.221 100 D C -1.622 174.741 176.300 0.106 0.000 1.123 100 D CA -2.499 51.555 54.000 0.091 0.000 0.869 100 D CB 1.666 42.533 40.800 0.112 0.000 1.032 100 D HN 0.089 nan 8.370 nan 0.000 0.506 101 P HA -0.092 nan 4.420 nan 0.000 0.221 101 P C 1.531 178.881 177.300 0.084 0.000 1.150 101 P CA 0.373 63.506 63.100 0.054 0.000 0.800 101 P CB 0.576 32.284 31.700 0.013 0.000 0.787 102 I N -1.282 119.327 120.570 0.065 0.000 2.676 102 I HA -0.061 4.109 4.170 -0.000 0.000 0.259 102 I C 2.257 178.410 176.117 0.059 0.000 1.194 102 I CA 1.087 62.418 61.300 0.051 0.000 1.473 102 I CB -1.033 36.981 38.000 0.023 0.000 1.096 102 I HN -0.001 nan 8.210 nan 0.000 0.443 103 L N -1.579 119.696 121.223 0.087 0.000 2.609 103 L HA 0.098 4.438 4.340 -0.000 0.000 0.230 103 L C 0.704 177.622 176.870 0.080 0.000 1.064 103 L CA -0.230 54.652 54.840 0.070 0.000 0.873 103 L CB -0.099 41.999 42.059 0.064 0.000 1.139 103 L HN 0.003 nan 8.230 nan 0.000 0.490 104 Y N 3.035 123.349 120.300 0.023 0.000 2.969 104 Y HA -0.098 4.452 4.550 -0.000 0.000 0.339 104 Y C 0.180 176.053 175.900 -0.045 0.000 1.272 104 Y CA 0.012 58.124 58.100 0.019 0.000 1.577 104 Y CB 0.247 38.730 38.460 0.039 0.000 1.234 104 Y HN -0.008 nan 8.280 nan 0.000 0.590 105 R N 7.592 127.641 120.500 -0.752 0.000 2.343 105 R HA 0.380 4.720 4.340 -0.000 0.000 0.320 105 R C -2.697 173.055 176.300 -0.915 0.000 0.956 105 R CA -2.674 53.027 56.100 -0.664 0.000 0.836 105 R CB 0.808 30.848 30.300 -0.433 0.000 1.151 105 R HN 0.503 nan 8.270 nan 0.000 0.450 106 P HA 0.168 nan 4.420 nan 0.000 0.271 106 P C -0.568 176.740 177.300 0.013 0.000 1.218 106 P CA -0.264 62.721 63.100 -0.191 0.000 0.780 106 P CB 0.792 32.478 31.700 -0.023 0.000 0.901 107 V N 1.487 121.425 119.914 0.040 0.000 2.709 107 V HA 0.672 4.792 4.120 -0.000 0.000 0.308 107 V C -0.021 176.131 176.094 0.098 0.000 1.062 107 V CA -0.892 61.429 62.300 0.035 0.000 0.901 107 V CB 1.914 33.724 31.823 -0.022 0.000 1.003 107 V HN 0.655 nan 8.190 nan 0.000 0.425 108 A N 3.626 126.508 122.820 0.103 0.000 2.295 108 A HA 0.875 5.195 4.320 -0.000 0.000 0.318 108 A C -0.687 176.923 177.584 0.043 0.000 1.134 108 A CA -0.520 51.577 52.037 0.100 0.000 0.827 108 A CB 1.378 20.464 19.000 0.144 0.000 1.136 108 A HN 0.704 nan 8.150 nan 0.000 0.493 109 V N 0.884 120.809 119.914 0.018 0.000 2.459 109 V HA 0.699 4.819 4.120 -0.000 0.000 0.295 109 V C 0.286 176.322 176.094 -0.097 0.000 1.029 109 V CA -0.110 62.182 62.300 -0.014 0.000 0.874 109 V CB 1.377 33.201 31.823 0.002 0.000 0.985 109 V HN 1.239 nan 8.190 nan 0.000 0.438 110 A N 5.038 127.760 122.820 -0.164 0.000 2.356 110 A HA 0.818 5.138 4.320 -0.000 0.000 0.310 110 A C -1.106 176.246 177.584 -0.387 0.000 1.075 110 A CA -0.518 51.257 52.037 -0.436 0.000 0.746 110 A CB 1.352 19.854 19.000 -0.831 0.000 1.221 110 A HN 0.871 nan 8.150 nan 0.000 0.443 111 L N 2.615 123.578 121.223 -0.433 0.000 2.262 111 L HA 0.372 4.712 4.340 -0.000 0.000 0.288 111 L C -0.854 175.836 176.870 -0.300 0.000 1.035 111 L CA -0.515 54.126 54.840 -0.332 0.000 0.820 111 L CB 0.837 42.639 42.059 -0.428 0.000 1.204 111 L HN 0.711 nan 8.230 nan 0.000 0.424 112 D N 4.181 124.529 120.400 -0.086 0.000 2.380 112 D HA 0.109 4.749 4.640 -0.000 0.000 0.230 112 D C 0.092 176.437 176.300 0.076 0.000 1.154 112 D CA -0.143 53.913 54.000 0.092 0.000 0.859 112 D CB 1.166 42.115 40.800 0.248 0.000 1.045 112 D HN 0.595 nan 8.370 nan 0.000 0.495 113 T N 0.824 115.391 114.554 0.021 0.000 2.855 113 T HA 0.027 4.376 4.350 -0.000 0.000 0.314 113 T C 1.338 176.102 174.700 0.106 0.000 1.077 113 T CA -0.337 61.779 62.100 0.027 0.000 1.095 113 T CB 1.786 70.659 68.868 0.010 0.000 0.987 113 T HN 0.390 nan 8.240 nan 0.000 0.546 114 K N 1.728 122.204 120.400 0.127 0.000 2.025 114 K HA 0.111 4.431 4.320 -0.000 0.000 0.207 114 K C 1.322 178.029 176.600 0.177 0.000 1.049 114 K CA 1.139 57.505 56.287 0.132 0.000 0.933 114 K CB -1.135 31.427 32.500 0.104 0.000 0.714 114 K HN 1.136 nan 8.250 nan 0.000 0.438 115 G N 0.528 109.420 108.800 0.153 0.000 2.749 115 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.242 115 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.242 115 G C -2.283 172.688 174.900 0.118 0.000 1.364 115 G CA -0.136 45.082 45.100 0.197 0.000 0.888 115 G HN 0.285 nan 8.290 nan 0.000 0.566 116 P HA 0.142 nan 4.420 nan 0.000 0.246 116 P C 0.188 177.262 177.300 -0.376 0.000 1.675 116 P CA 0.379 63.361 63.100 -0.195 0.000 0.908 116 P CB -0.318 31.228 31.700 -0.256 0.000 1.890 117 E N 0.861 120.950 120.200 -0.185 0.000 2.384 117 E HA 0.183 4.533 4.350 -0.000 0.000 0.266 117 E C 0.230 176.721 176.600 -0.182 0.000 1.012 117 E CA -0.168 56.135 56.400 -0.162 0.000 0.901 117 E CB 0.572 30.281 29.700 0.014 0.000 0.967 117 E HN 0.338 nan 8.360 nan 0.000 0.435 118 I N 3.788 124.249 120.570 -0.182 0.000 2.404 118 I HA 0.408 4.577 4.170 -0.000 0.000 0.293 118 I C 0.157 176.249 176.117 -0.041 0.000 0.992 118 I CA -0.559 60.664 61.300 -0.128 0.000 1.149 118 I CB 1.204 39.117 38.000 -0.145 0.000 1.315 118 I HN 0.254 nan 8.210 nan 0.000 0.446 119 R N 2.880 123.368 120.500 -0.021 0.000 2.698 119 R HA 0.488 4.828 4.340 -0.000 0.000 0.275 119 R C -0.494 175.832 176.300 0.042 0.000 1.001 119 R CA -0.789 55.335 56.100 0.040 0.000 0.896 119 R CB 2.609 32.961 30.300 0.086 0.000 1.218 119 R HN 0.768 nan 8.270 nan 0.000 0.462 120 T N -1.176 113.440 114.554 0.105 0.000 2.754 120 T HA 0.441 4.791 4.350 -0.000 0.000 0.286 120 T C 0.816 175.737 174.700 0.369 0.000 0.997 120 T CA -0.402 61.804 62.100 0.177 0.000 0.982 120 T CB 1.225 70.186 68.868 0.155 0.000 1.027 120 T HN 0.609 nan 8.240 nan 0.000 0.529 121 G N -0.422 108.711 108.800 0.555 0.000 2.583 121 G HA2 0.590 4.550 3.960 -0.000 0.000 0.280 121 G HA3 0.590 4.550 3.960 -0.000 0.000 0.280 121 G C -0.448 174.580 174.900 0.214 0.000 1.376 121 G CA -1.358 44.012 45.100 0.451 0.000 1.043 121 G HN 0.858 nan 8.290 nan 0.000 0.538 122 L N 0.544 121.827 121.223 0.100 0.000 2.395 122 L HA 0.272 4.612 4.340 -0.000 0.000 0.269 122 L C 0.185 177.097 176.870 0.070 0.000 1.133 122 L CA -0.863 54.018 54.840 0.067 0.000 0.812 122 L CB 0.853 42.922 42.059 0.018 0.000 1.125 122 L HN 0.195 nan 8.230 nan 0.000 0.452 123 I N 2.350 122.961 120.570 0.068 0.000 2.648 123 I HA -0.002 4.168 4.170 -0.000 0.000 0.284 123 I C 0.725 176.869 176.117 0.044 0.000 1.153 123 I CA -0.103 61.237 61.300 0.066 0.000 1.426 123 I CB 0.552 38.593 38.000 0.067 0.000 1.381 123 I HN 0.682 nan 8.210 nan 0.000 0.571 124 K N 4.588 125.015 120.400 0.046 0.000 2.518 124 K HA 0.041 4.361 4.320 -0.000 0.000 0.276 124 K C 1.100 177.710 176.600 0.016 0.000 0.974 124 K CA 0.324 56.627 56.287 0.026 0.000 0.986 124 K CB 0.277 32.798 32.500 0.035 0.000 0.901 124 K HN 0.730 nan 8.250 nan 0.000 0.497 125 G N 2.391 111.191 108.800 0.001 0.000 2.476 125 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.218 125 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.218 125 G C 0.503 175.406 174.900 0.005 0.000 1.164 125 G CA 0.900 45.999 45.100 -0.002 0.000 0.768 125 G HN 0.880 nan 8.290 nan 0.000 0.560 126 S N -0.188 115.516 115.700 0.006 0.000 2.596 126 S HA 0.508 4.978 4.470 -0.000 0.000 0.260 126 S C 0.947 175.558 174.600 0.019 0.000 1.336 126 S CA 0.232 58.438 58.200 0.010 0.000 0.993 126 S CB 0.831 64.036 63.200 0.008 0.000 0.923 126 S HN 1.874 nan 8.310 nan 0.000 0.567 127 G N 0.724 109.536 108.800 0.020 0.000 2.697 127 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.240 127 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.240 127 G C 0.127 175.047 174.900 0.033 0.000 1.346 127 G CA -0.003 45.114 45.100 0.028 0.000 0.887 127 G HN 2.017 nan 8.290 nan 0.000 0.569 128 T N -1.913 112.668 114.554 0.046 0.000 2.701 128 T HA 0.627 4.977 4.350 -0.000 0.000 0.303 128 T C 1.924 176.657 174.700 0.055 0.000 1.030 128 T CA 1.098 63.230 62.100 0.053 0.000 1.010 128 T CB 1.020 69.935 68.868 0.078 0.000 1.007 128 T HN 2.251 nan 8.240 nan 0.000 0.532 129 A N 1.029 123.878 122.820 0.049 0.000 1.858 129 A HA 0.076 4.396 4.320 -0.000 0.000 0.216 129 A C 1.200 178.822 177.584 0.063 0.000 1.190 129 A CA 1.183 53.245 52.037 0.042 0.000 0.617 129 A CB -0.830 18.182 19.000 0.021 0.000 0.827 129 A HN 0.914 nan 8.150 nan 0.000 0.443 130 E N -2.165 118.092 120.200 0.095 0.000 2.254 130 E HA 0.597 4.947 4.350 -0.000 0.000 0.258 130 E C -1.268 175.442 176.600 0.184 0.000 1.033 130 E CA -0.513 55.975 56.400 0.147 0.000 0.893 130 E CB 2.014 31.829 29.700 0.192 0.000 1.204 130 E HN 0.041 nan 8.360 nan 0.000 0.425 131 V N 1.127 121.143 119.914 0.171 0.000 2.604 131 V HA 0.190 4.310 4.120 -0.000 0.000 0.305 131 V C -0.858 175.246 176.094 0.017 0.000 1.043 131 V CA -0.536 61.823 62.300 0.099 0.000 0.888 131 V CB 1.866 33.727 31.823 0.062 0.000 0.995 131 V HN 0.572 nan 8.190 nan 0.000 0.429 132 E N 4.912 125.040 120.200 -0.121 0.000 2.044 132 E HA 0.330 4.680 4.350 -0.000 0.000 0.282 132 E C -0.932 175.521 176.600 -0.244 0.000 1.031 132 E CA -0.419 55.732 56.400 -0.415 0.000 0.824 132 E CB 0.835 30.160 29.700 -0.625 0.000 1.076 132 E HN 0.540 nan 8.360 nan 0.000 0.395 133 L N 5.657 126.758 121.223 -0.204 0.000 2.356 133 L HA 0.206 4.546 4.340 -0.000 0.000 0.282 133 L C 0.343 177.131 176.870 -0.137 0.000 1.132 133 L CA -0.076 54.689 54.840 -0.125 0.000 0.923 133 L CB 0.052 42.065 42.059 -0.076 0.000 1.278 133 L HN 0.242 nan 8.230 nan 0.000 0.436 134 K N 2.855 123.181 120.400 -0.124 0.000 2.270 134 K HA 0.135 4.455 4.320 -0.000 0.000 0.276 134 K C 0.115 176.670 176.600 -0.075 0.000 1.023 134 K CA -0.485 55.736 56.287 -0.109 0.000 0.955 134 K CB 1.042 33.486 32.500 -0.093 0.000 0.975 134 K HN 0.278 nan 8.250 nan 0.000 0.471 135 K N 0.992 121.353 120.400 -0.065 0.000 2.447 135 K HA -0.045 4.275 4.320 -0.000 0.000 0.281 135 K C 0.742 177.319 176.600 -0.040 0.000 1.031 135 K CA 1.099 57.357 56.287 -0.048 0.000 1.019 135 K CB 0.028 32.506 32.500 -0.036 0.000 0.918 135 K HN 0.775 nan 8.250 nan 0.000 0.476 136 G N 2.008 110.786 108.800 -0.037 0.000 2.241 136 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 136 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 136 G C 0.200 175.082 174.900 -0.031 0.000 0.998 136 G CA 0.042 45.123 45.100 -0.030 0.000 0.621 136 G HN 0.946 nan 8.290 nan 0.000 0.519 137 A N 0.382 123.180 122.820 -0.037 0.000 2.313 137 A HA 0.749 5.069 4.320 -0.000 0.000 0.261 137 A C 0.945 178.510 177.584 -0.033 0.000 1.090 137 A CA 1.200 53.216 52.037 -0.035 0.000 0.807 137 A CB 0.253 19.228 19.000 -0.041 0.000 1.055 137 A HN 1.663 nan 8.150 nan 0.000 0.492 138 T N -1.436 113.101 114.554 -0.028 0.000 2.927 138 T HA 0.641 4.991 4.350 -0.000 0.000 0.281 138 T C -0.658 174.027 174.700 -0.025 0.000 0.998 138 T CA -0.601 61.485 62.100 -0.024 0.000 1.019 138 T CB 1.194 70.051 68.868 -0.018 0.000 1.061 138 T HN 1.225 nan 8.240 nan 0.000 0.518 139 L N 0.486 121.696 121.223 -0.021 0.000 2.614 139 L HA 0.501 4.840 4.340 -0.000 0.000 0.264 139 L C -0.813 176.048 176.870 -0.014 0.000 0.940 139 L CA -0.671 54.157 54.840 -0.020 0.000 0.903 139 L CB 1.979 44.025 42.059 -0.021 0.000 1.306 139 L HN 0.898 nan 8.230 nan 0.000 0.410 140 K N 5.965 126.349 120.400 -0.026 0.000 2.285 140 K HA 0.503 4.823 4.320 -0.000 0.000 0.286 140 K C -0.718 175.869 176.600 -0.023 0.000 1.072 140 K CA -0.447 55.826 56.287 -0.022 0.000 0.913 140 K CB 0.473 32.923 32.500 -0.084 0.000 1.067 140 K HN 0.713 nan 8.250 nan 0.000 0.479 141 I N 3.414 123.988 120.570 0.007 0.000 2.441 141 I HA 0.046 4.216 4.170 -0.000 0.000 0.287 141 I C 0.658 176.778 176.117 0.005 0.000 1.049 141 I CA -0.025 61.271 61.300 -0.006 0.000 1.381 141 I CB 1.501 39.489 38.000 -0.020 0.000 1.409 141 I HN 0.598 nan 8.210 nan 0.000 0.523 142 T N 5.854 120.400 114.554 -0.015 0.000 2.932 142 T HA 0.565 4.915 4.350 -0.000 0.000 0.289 142 T C 0.524 175.229 174.700 0.010 0.000 1.039 142 T CA -0.512 61.593 62.100 0.008 0.000 1.024 142 T CB 1.287 70.110 68.868 -0.075 0.000 1.090 142 T HN 0.493 nan 8.240 nan 0.000 0.496 143 L N 1.177 122.441 121.223 0.068 0.000 2.766 143 L HA 0.344 4.684 4.340 -0.000 0.000 0.242 143 L C 0.579 177.631 176.870 0.304 0.000 1.136 143 L CA -0.158 54.720 54.840 0.063 0.000 0.933 143 L CB 0.449 42.508 42.059 0.001 0.000 1.241 143 L HN 0.558 nan 8.230 nan 0.000 0.522 144 D N 1.228 121.825 120.400 0.327 0.000 2.349 144 D HA -0.067 4.573 4.640 -0.000 0.000 0.266 144 D C 0.868 177.430 176.300 0.437 0.000 1.293 144 D CA 0.480 54.689 54.000 0.348 0.000 0.926 144 D CB 0.489 41.492 40.800 0.338 0.000 1.090 144 D HN 0.172 nan 8.370 nan 0.000 0.502 145 N N 2.559 121.445 118.700 0.311 0.000 2.430 145 N HA -0.174 4.566 4.740 -0.000 0.000 0.186 145 N C 1.171 176.620 175.510 -0.101 0.000 1.032 145 N CA 0.538 53.641 53.050 0.089 0.000 0.893 145 N CB 0.189 38.733 38.487 0.095 0.000 0.957 145 N HN 0.427 nan 8.380 nan 0.000 0.442 146 A N -0.506 122.315 122.820 0.002 0.000 2.239 146 A HA -0.047 4.273 4.320 -0.000 0.000 0.209 146 A C 0.686 178.100 177.584 -0.284 0.000 1.171 146 A CA 0.617 52.572 52.037 -0.136 0.000 0.768 146 A CB -0.238 18.685 19.000 -0.128 0.000 0.790 146 A HN 0.362 nan 8.150 nan 0.000 0.478 147 Y N -1.150 119.072 120.300 -0.129 0.000 2.500 147 Y HA 0.147 4.697 4.550 -0.000 0.000 0.246 147 Y C 2.020 177.763 175.900 -0.262 0.000 1.146 147 Y CA 0.233 58.276 58.100 -0.096 0.000 1.230 147 Y CB -0.060 38.437 38.460 0.061 0.000 1.214 147 Y HN 0.462 nan 8.280 nan 0.000 0.526 148 M N -0.837 118.408 119.600 -0.593 0.000 2.446 148 M HA -0.080 4.400 4.480 -0.000 0.000 0.263 148 M C 0.385 176.374 176.300 -0.518 0.000 1.066 148 M CA 2.011 56.582 55.300 -1.215 0.000 1.087 148 M CB -0.032 31.367 32.600 -2.000 0.000 1.406 148 M HN 0.106 nan 8.290 nan 0.000 0.459 149 E N 0.286 120.312 120.200 -0.289 0.000 2.583 149 E HA 0.151 4.501 4.350 -0.000 0.000 0.213 149 E C -0.154 176.408 176.600 -0.063 0.000 0.989 149 E CA -0.033 56.281 56.400 -0.144 0.000 0.991 149 E CB 0.642 30.256 29.700 -0.142 0.000 1.040 149 E HN 0.465 nan 8.360 nan 0.000 0.481 150 K N 0.994 121.375 120.400 -0.032 0.000 3.135 150 K HA 0.239 4.559 4.320 -0.000 0.000 0.210 150 K C -0.930 175.755 176.600 0.141 0.000 1.176 150 K CA -0.296 56.009 56.287 0.031 0.000 1.064 150 K CB 0.361 32.836 32.500 -0.041 0.000 1.009 150 K HN 0.010 nan 8.250 nan 0.000 0.472 151 C N 2.083 121.461 119.300 0.130 0.000 2.593 151 C HA 0.263 4.723 4.460 -0.000 0.000 0.409 151 C C 0.488 175.545 174.990 0.111 0.000 1.304 151 C CA -0.423 58.688 59.018 0.154 0.000 2.007 151 C CB -0.432 27.405 27.740 0.161 0.000 2.614 151 C HN 0.723 nan 8.230 nan 0.000 0.585 152 D N 0.872 121.332 120.400 0.100 0.000 2.895 152 D HA 0.185 4.825 4.640 -0.000 0.000 0.320 152 D C 0.590 176.917 176.300 0.045 0.000 1.249 152 D CA -0.526 53.514 54.000 0.068 0.000 0.997 152 D CB 0.057 40.894 40.800 0.062 0.000 1.430 152 D HN 0.449 nan 8.370 nan 0.000 0.558 153 E N -0.134 120.081 120.200 0.025 0.000 2.418 153 E HA -0.089 4.261 4.350 -0.000 0.000 0.197 153 E C 0.084 176.681 176.600 -0.004 0.000 1.026 153 E CA 0.791 57.192 56.400 0.001 0.000 0.862 153 E CB -0.350 29.339 29.700 -0.017 0.000 0.799 153 E HN 0.353 nan 8.360 nan 0.000 0.518 154 N N 0.282 118.985 118.700 0.005 0.000 2.454 154 N HA 0.219 4.959 4.740 -0.000 0.000 0.177 154 N C 0.159 175.655 175.510 -0.023 0.000 1.049 154 N CA 0.370 53.414 53.050 -0.009 0.000 0.887 154 N CB 0.989 39.473 38.487 -0.004 0.000 1.095 154 N HN 0.173 nan 8.380 nan 0.000 0.446 155 I N 1.058 121.626 120.570 -0.004 0.000 2.534 155 I HA 0.268 4.438 4.170 -0.000 0.000 0.288 155 I C -1.443 174.697 176.117 0.038 0.000 1.077 155 I CA -0.762 60.517 61.300 -0.034 0.000 1.051 155 I CB 2.755 40.693 38.000 -0.104 0.000 1.234 155 I HN -0.217 nan 8.210 nan 0.000 0.425 156 L N 6.906 128.153 121.223 0.039 0.000 2.372 156 L HA 0.498 4.838 4.340 -0.000 0.000 0.273 156 L C -1.233 175.720 176.870 0.138 0.000 0.989 156 L CA -0.198 54.702 54.840 0.099 0.000 0.841 156 L CB 1.205 43.300 42.059 0.060 0.000 1.225 156 L HN 0.647 nan 8.230 nan 0.000 0.414 157 W N 7.330 128.653 121.300 0.037 0.000 2.251 157 W HA 0.574 5.234 4.660 -0.000 0.000 0.329 157 W C -1.210 175.342 176.519 0.055 0.000 1.234 157 W CA -0.325 57.051 57.345 0.052 0.000 1.228 157 W CB 1.050 30.566 29.460 0.093 0.000 1.135 157 W HN 0.534 nan 8.180 nan 0.000 0.576 158 L N 2.882 123.571 121.223 -0.891 0.000 2.415 158 L HA 0.528 4.868 4.340 -0.000 0.000 0.256 158 L C 0.041 175.999 176.870 -1.519 0.000 1.010 158 L CA -0.855 53.419 54.840 -0.945 0.000 0.826 158 L CB 1.731 43.582 42.059 -0.347 0.000 1.405 158 L HN 0.500 nan 8.230 nan 0.000 0.410 159 D N -0.956 118.876 120.400 -0.946 0.000 2.328 159 D HA -0.015 4.625 4.640 -0.000 0.000 0.221 159 D C 0.010 176.224 176.300 -0.142 0.000 1.072 159 D CA 0.248 53.928 54.000 -0.534 0.000 0.850 159 D CB -0.212 40.535 40.800 -0.089 0.000 0.922 159 D HN 0.509 nan 8.370 nan 0.000 0.516 160 Y N 2.449 122.571 120.300 -0.295 0.000 2.650 160 Y HA 0.256 4.806 4.550 -0.000 0.000 0.343 160 Y C 1.071 176.871 175.900 -0.166 0.000 1.078 160 Y CA -1.391 56.600 58.100 -0.181 0.000 1.356 160 Y CB 0.493 38.859 38.460 -0.157 0.000 1.204 160 Y HN -0.259 nan 8.280 nan 0.000 0.508 161 K N 2.667 123.031 120.400 -0.060 0.000 2.147 161 K HA -0.176 4.143 4.320 -0.000 0.000 0.205 161 K C 0.869 177.290 176.600 -0.298 0.000 1.049 161 K CA 1.026 57.226 56.287 -0.146 0.000 0.936 161 K CB 0.146 32.632 32.500 -0.023 0.000 0.722 161 K HN 0.487 nan 8.250 nan 0.000 0.446 162 N N 1.351 119.762 118.700 -0.481 0.000 2.314 162 N HA 0.061 4.801 4.740 -0.000 0.000 0.200 162 N C 1.261 176.270 175.510 -0.835 0.000 1.135 162 N CA -0.078 52.673 53.050 -0.498 0.000 0.835 162 N CB -0.115 38.251 38.487 -0.202 0.000 0.989 162 N HN 0.151 nan 8.380 nan 0.000 0.478 163 I N -0.444 119.452 120.570 -1.124 0.000 2.118 163 I HA -0.411 3.759 4.170 -0.000 0.000 0.241 163 I C 1.509 177.401 176.117 -0.374 0.000 1.070 163 I CA 1.245 62.033 61.300 -0.855 0.000 1.327 163 I CB -0.061 37.639 38.000 -0.499 0.000 1.034 163 I HN 0.190 nan 8.210 nan 0.000 0.405 164 C N 0.689 119.815 119.300 -0.289 0.000 2.403 164 C HA -0.190 4.269 4.460 -0.000 0.000 0.282 164 C C 2.534 177.428 174.990 -0.159 0.000 1.297 164 C CA 0.999 59.899 59.018 -0.196 0.000 1.785 164 C CB -1.319 26.307 27.740 -0.189 0.000 1.963 164 C HN 0.448 nan 8.230 nan 0.000 0.507 165 K N 0.403 120.701 120.400 -0.170 0.000 2.365 165 K HA -0.055 4.265 4.320 -0.000 0.000 0.199 165 K C 1.507 178.063 176.600 -0.073 0.000 1.045 165 K CA 1.319 57.539 56.287 -0.112 0.000 0.962 165 K CB 0.111 32.550 32.500 -0.102 0.000 0.759 165 K HN 0.625 nan 8.250 nan 0.000 0.469 166 V N -2.870 117.002 119.914 -0.071 0.000 3.502 166 V HA 0.164 4.283 4.120 -0.000 0.000 0.288 166 V C 0.398 176.488 176.094 -0.007 0.000 1.461 166 V CA -0.646 61.648 62.300 -0.010 0.000 1.029 166 V CB 0.089 31.951 31.823 0.065 0.000 0.843 166 V HN -0.051 nan 8.190 nan 0.000 0.438 167 V N -0.311 119.583 119.914 -0.034 0.000 2.716 167 V HA 0.758 4.878 4.120 -0.000 0.000 0.304 167 V C -0.833 175.235 176.094 -0.042 0.000 1.053 167 V CA -0.275 62.009 62.300 -0.027 0.000 0.984 167 V CB 1.675 33.479 31.823 -0.030 0.000 1.021 167 V HN 0.351 nan 8.190 nan 0.000 0.467 168 D N 1.578 121.959 120.400 -0.032 0.000 2.450 168 D HA 0.496 5.135 4.640 -0.000 0.000 0.238 168 D C -0.447 175.832 176.300 -0.036 0.000 1.020 168 D CA -0.540 53.437 54.000 -0.038 0.000 1.010 168 D CB 1.902 42.685 40.800 -0.028 0.000 1.342 168 D HN 0.551 nan 8.370 nan 0.000 0.530 169 V N 0.525 120.416 119.914 -0.039 0.000 2.617 169 V HA 0.350 4.469 4.120 -0.000 0.000 0.304 169 V C 1.630 177.711 176.094 -0.022 0.000 1.040 169 V CA 1.584 63.864 62.300 -0.033 0.000 1.149 169 V CB 0.157 31.961 31.823 -0.033 0.000 0.914 169 V HN 1.019 nan 8.190 nan 0.000 0.487 170 G N 3.687 112.476 108.800 -0.018 0.000 2.345 170 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 170 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 170 G C 0.505 175.402 174.900 -0.005 0.000 1.058 170 G CA 0.069 45.163 45.100 -0.011 0.000 0.632 170 G HN 0.782 nan 8.290 nan 0.000 0.508 171 S N 2.095 117.793 115.700 -0.004 0.000 2.558 171 S HA 0.382 4.852 4.470 -0.000 0.000 0.287 171 S C 0.466 175.071 174.600 0.008 0.000 1.321 171 S CA 0.483 58.689 58.200 0.009 0.000 1.048 171 S CB 0.673 63.876 63.200 0.006 0.000 0.844 171 S HN 0.580 nan 8.310 nan 0.000 0.512 172 K N 1.287 121.710 120.400 0.038 0.000 2.123 172 K HA 0.624 4.944 4.320 -0.000 0.000 0.259 172 K C -1.193 175.434 176.600 0.045 0.000 0.960 172 K CA -0.801 55.494 56.287 0.012 0.000 0.872 172 K CB 1.481 34.016 32.500 0.058 0.000 1.079 172 K HN 0.267 nan 8.250 nan 0.000 0.440 173 V N 2.998 122.878 119.914 -0.057 0.000 2.483 173 V HA 0.278 4.398 4.120 -0.000 0.000 0.297 173 V C -1.346 174.696 176.094 -0.087 0.000 1.027 173 V CA -0.933 61.372 62.300 0.009 0.000 0.855 173 V CB 0.757 32.577 31.823 -0.006 0.000 0.995 173 V HN 0.590 nan 8.190 nan 0.000 0.424 174 Y N 3.199 123.508 120.300 0.015 0.000 2.342 174 Y HA 0.735 5.285 4.550 -0.000 0.000 0.334 174 Y C 0.101 176.017 175.900 0.026 0.000 1.067 174 Y CA -0.740 57.373 58.100 0.022 0.000 1.128 174 Y CB 2.072 40.548 38.460 0.027 0.000 1.200 174 Y HN 0.377 nan 8.280 nan 0.000 0.464 175 V N 2.226 122.229 119.914 0.148 0.000 2.709 175 V HA 0.340 4.460 4.120 -0.000 0.000 0.308 175 V C -0.985 175.178 176.094 0.115 0.000 1.062 175 V CA -1.261 61.103 62.300 0.107 0.000 0.901 175 V CB 1.776 33.637 31.823 0.063 0.000 1.003 175 V HN 0.812 nan 8.190 nan 0.000 0.425 176 D N 3.782 124.248 120.400 0.111 0.000 4.044 176 D HA -0.144 4.496 4.640 -0.000 0.000 0.242 176 D C 0.290 176.657 176.300 0.111 0.000 1.076 176 D CA 0.964 55.029 54.000 0.108 0.000 1.171 176 D CB -0.668 40.193 40.800 0.101 0.000 0.866 176 D HN 0.874 nan 8.370 nan 0.000 0.413 177 D N 1.719 122.184 120.400 0.108 0.000 2.792 177 D HA -0.176 4.464 4.640 -0.000 0.000 0.231 177 D C 1.383 177.745 176.300 0.105 0.000 1.160 177 D CA 2.629 56.687 54.000 0.097 0.000 0.697 177 D CB -1.392 39.457 40.800 0.082 0.000 1.070 177 D HN 1.270 nan 8.370 nan 0.000 0.426 178 G N -1.305 107.581 108.800 0.143 0.000 2.168 178 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.263 178 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.263 178 G C 1.175 176.223 174.900 0.247 0.000 0.977 178 G CA 0.619 45.847 45.100 0.214 0.000 0.659 178 G HN 0.517 nan 8.290 nan 0.000 0.533 179 L N -0.706 120.614 121.223 0.162 0.000 2.217 179 L HA 0.282 4.622 4.340 -0.000 0.000 0.211 179 L C 1.448 178.381 176.870 0.106 0.000 1.107 179 L CA 0.759 55.675 54.840 0.128 0.000 0.783 179 L CB -0.099 42.022 42.059 0.104 0.000 0.919 179 L HN 0.302 nan 8.230 nan 0.000 0.442 180 I N -1.112 119.513 120.570 0.092 0.000 2.441 180 I HA 0.221 4.391 4.170 -0.000 0.000 0.295 180 I C 0.015 176.086 176.117 -0.078 0.000 0.994 180 I CA -0.119 61.191 61.300 0.018 0.000 1.144 180 I CB 2.001 40.013 38.000 0.019 0.000 1.314 180 I HN -0.175 nan 8.210 nan 0.000 0.445 181 S N 6.894 122.486 115.700 -0.180 0.000 2.532 181 S HA 0.789 5.259 4.470 -0.000 0.000 0.299 181 S C -1.064 173.373 174.600 -0.272 0.000 1.105 181 S CA -0.571 57.377 58.200 -0.420 0.000 1.018 181 S CB 0.742 63.626 63.200 -0.527 0.000 1.021 181 S HN 0.472 nan 8.310 nan 0.000 0.483 182 L N 3.585 124.642 121.223 -0.276 0.000 2.381 182 L HA 0.630 4.969 4.340 -0.000 0.000 0.268 182 L C -0.377 176.409 176.870 -0.141 0.000 0.997 182 L CA -0.790 53.956 54.840 -0.157 0.000 0.818 182 L CB 2.110 44.109 42.059 -0.100 0.000 1.310 182 L HN 0.621 nan 8.230 nan 0.000 0.416 183 Q N 1.463 121.208 119.800 -0.091 0.000 2.322 183 Q HA 0.482 4.822 4.340 -0.000 0.000 0.265 183 Q C -1.196 174.779 176.000 -0.041 0.000 0.985 183 Q CA -0.747 55.019 55.803 -0.062 0.000 0.849 183 Q CB 2.289 30.997 28.738 -0.050 0.000 1.274 183 Q HN 0.505 nan 8.270 nan 0.000 0.449 184 V N 5.016 124.910 119.914 -0.033 0.000 2.585 184 V HA 0.014 4.134 4.120 -0.000 0.000 0.296 184 V C 0.686 176.765 176.094 -0.025 0.000 1.035 184 V CA 0.368 62.650 62.300 -0.029 0.000 1.084 184 V CB 0.832 32.636 31.823 -0.032 0.000 0.953 184 V HN 0.835 nan 8.190 nan 0.000 0.483 185 K N 2.616 123.004 120.400 -0.020 0.000 2.425 185 K HA 0.262 4.582 4.320 -0.000 0.000 0.201 185 K C 0.271 176.861 176.600 -0.016 0.000 1.128 185 K CA 0.215 56.493 56.287 -0.015 0.000 1.000 185 K CB 1.056 33.551 32.500 -0.008 0.000 0.961 185 K HN 0.735 nan 8.250 nan 0.000 0.555 186 Q N 0.924 120.711 119.800 -0.021 0.000 2.443 186 Q HA 0.185 4.525 4.340 -0.000 0.000 0.241 186 Q C -1.647 174.294 176.000 -0.097 0.000 0.880 186 Q CA -0.171 55.610 55.803 -0.037 0.000 0.974 186 Q CB 1.590 30.333 28.738 0.009 0.000 1.482 186 Q HN -0.096 nan 8.270 nan 0.000 0.448 187 K N 1.198 121.505 120.400 -0.156 0.000 2.218 187 K HA 0.471 4.791 4.320 -0.000 0.000 0.276 187 K C 0.503 176.813 176.600 -0.483 0.000 1.022 187 K CA 0.020 56.149 56.287 -0.262 0.000 0.946 187 K CB 1.076 33.460 32.500 -0.193 0.000 1.000 187 K HN 0.660 nan 8.250 nan 0.000 0.468 191 F N 0.005 119.918 119.950 -0.063 0.000 2.661 191 F HA 0.859 5.385 4.527 -0.000 0.000 0.347 191 F C -1.240 174.516 175.800 -0.074 0.000 1.086 191 F CA -1.443 56.513 58.000 -0.072 0.000 1.016 191 F CB 1.382 40.342 39.000 -0.067 0.000 1.368 191 F HN -0.213 nan 8.300 nan 0.000 0.505 192 L N 2.515 123.845 121.223 0.177 0.000 2.555 192 L HA 0.428 4.768 4.340 -0.000 0.000 0.264 192 L C -1.150 175.793 176.870 0.122 0.000 0.972 192 L CA -0.914 53.960 54.840 0.057 0.000 0.876 192 L CB 1.892 43.939 42.059 -0.020 0.000 1.216 192 L HN 0.743 nan 8.230 nan 0.000 0.415 193 V N 3.613 123.612 119.914 0.142 0.000 2.406 193 V HA 0.638 4.758 4.120 -0.000 0.000 0.272 193 V C 0.342 176.454 176.094 0.030 0.000 1.043 193 V CA 0.309 62.663 62.300 0.092 0.000 0.915 193 V CB 1.569 33.461 31.823 0.115 0.000 0.988 193 V HN 0.855 nan 8.190 nan 0.000 0.466 194 T N 2.745 117.304 114.554 0.008 0.000 2.940 194 T HA 0.645 4.995 4.350 -0.000 0.000 0.288 194 T C -0.510 174.178 174.700 -0.021 0.000 1.045 194 T CA -0.706 61.386 62.100 -0.014 0.000 1.018 194 T CB 1.939 70.791 68.868 -0.026 0.000 1.151 194 T HN 0.818 nan 8.240 nan 0.000 0.529 195 E N 0.192 120.373 120.200 -0.031 0.000 2.195 195 E HA 0.547 4.897 4.350 -0.000 0.000 0.271 195 E C -1.181 175.389 176.600 -0.051 0.000 0.923 195 E CA -1.024 55.355 56.400 -0.035 0.000 0.790 195 E CB 1.801 31.483 29.700 -0.031 0.000 1.155 195 E HN 0.531 nan 8.360 nan 0.000 0.402 196 V N 5.344 125.228 119.914 -0.051 0.000 2.387 196 V HA 0.034 4.154 4.120 -0.000 0.000 0.260 196 V C 0.858 176.914 176.094 -0.063 0.000 1.054 196 V CA 0.238 62.501 62.300 -0.063 0.000 0.967 196 V CB 0.707 32.494 31.823 -0.059 0.000 1.036 196 V HN 0.808 nan 8.190 nan 0.000 0.481 197 E N 3.222 123.373 120.200 -0.081 0.000 2.022 197 E HA -0.014 4.336 4.350 -0.000 0.000 0.190 197 E C 0.580 177.143 176.600 -0.062 0.000 0.973 197 E CA 0.526 56.883 56.400 -0.072 0.000 0.816 197 E CB 0.122 29.767 29.700 -0.092 0.000 0.781 197 E HN 0.567 nan 8.360 nan 0.000 0.456 198 N N 0.887 119.539 118.700 -0.081 0.000 2.457 198 N HA 0.172 4.912 4.740 -0.000 0.000 0.250 198 N C -0.670 174.812 175.510 -0.047 0.000 0.982 198 N CA -0.028 52.993 53.050 -0.048 0.000 0.941 198 N CB 1.363 39.836 38.487 -0.025 0.000 1.120 198 N HN 0.093 nan 8.380 nan 0.000 0.505 199 G N 0.671 109.446 108.800 -0.042 0.000 2.599 199 G HA2 0.600 4.560 3.960 -0.000 0.000 0.264 199 G HA3 0.600 4.560 3.960 -0.000 0.000 0.264 199 G C -0.015 174.860 174.900 -0.041 0.000 1.200 199 G CA 0.015 45.080 45.100 -0.059 0.000 0.896 199 G HN 0.663 nan 8.290 nan 0.000 0.536 200 G N -1.658 107.094 108.800 -0.080 0.000 2.356 200 G HA2 0.437 4.397 3.960 -0.000 0.000 0.294 200 G HA3 0.437 4.397 3.960 -0.000 0.000 0.294 200 G C -1.398 173.441 174.900 -0.103 0.000 1.423 200 G CA -1.064 44.022 45.100 -0.024 0.000 0.806 200 G HN 0.456 nan 8.290 nan 0.000 0.527 201 F N 0.016 119.980 119.950 0.023 0.000 2.427 201 F HA 0.574 5.101 4.527 -0.000 0.000 0.352 201 F C 0.483 176.302 175.800 0.031 0.000 1.100 201 F CA -0.434 57.581 58.000 0.025 0.000 1.191 201 F CB 1.704 40.718 39.000 0.023 0.000 1.128 201 F HN 0.341 nan 8.300 nan 0.000 0.533 202 L N 3.912 125.234 121.223 0.164 0.000 2.296 202 L HA 0.796 5.136 4.340 -0.000 0.000 0.286 202 L C -0.037 176.908 176.870 0.125 0.000 1.023 202 L CA 0.091 55.002 54.840 0.119 0.000 0.812 202 L CB 1.026 43.129 42.059 0.073 0.000 1.223 202 L HN 0.616 nan 8.230 nan 0.000 0.421 203 G N 2.432 111.300 108.800 0.113 0.000 2.828 203 G HA2 0.538 4.498 3.960 -0.000 0.000 0.244 203 G HA3 0.538 4.498 3.960 -0.000 0.000 0.244 203 G C -0.978 173.980 174.900 0.097 0.000 1.365 203 G CA -0.656 44.503 45.100 0.097 0.000 1.041 203 G HN 0.615 nan 8.290 nan 0.000 0.560 204 S N 0.315 116.068 115.700 0.088 0.000 2.610 204 S HA 0.349 4.819 4.470 -0.000 0.000 0.273 204 S C -0.086 174.584 174.600 0.116 0.000 1.274 204 S CA -0.557 57.702 58.200 0.098 0.000 1.023 204 S CB 1.071 64.316 63.200 0.076 0.000 0.962 204 S HN 0.500 nan 8.310 nan 0.000 0.523 205 K N 0.939 121.426 120.400 0.145 0.000 3.540 205 K HA -0.159 4.161 4.320 -0.000 0.000 0.274 205 K C -0.702 175.992 176.600 0.157 0.000 0.890 205 K CA 0.680 57.067 56.287 0.166 0.000 0.701 205 K CB -1.084 31.520 32.500 0.173 0.000 1.523 205 K HN 0.364 nan 8.250 nan 0.000 0.450 206 K N 0.170 120.653 120.400 0.137 0.000 2.118 206 K HA 0.284 4.604 4.320 -0.000 0.000 0.267 206 K C 0.867 177.535 176.600 0.114 0.000 0.991 206 K CA -0.298 56.063 56.287 0.124 0.000 0.916 206 K CB 1.158 33.724 32.500 0.110 0.000 1.041 206 K HN 0.350 nan 8.250 nan 0.000 0.455 207 G N 0.811 109.680 108.800 0.116 0.000 2.361 207 G HA2 0.297 4.257 3.960 -0.000 0.000 0.260 207 G HA3 0.297 4.257 3.960 -0.000 0.000 0.260 207 G C -0.396 174.556 174.900 0.088 0.000 1.261 207 G CA -0.401 44.760 45.100 0.102 0.000 0.897 207 G HN 0.227 nan 8.290 nan 0.000 0.499 208 V N 4.306 124.254 119.914 0.057 0.000 2.394 208 V HA 0.320 4.440 4.120 -0.000 0.000 0.282 208 V C -0.050 176.064 176.094 0.034 0.000 1.031 208 V CA -0.987 61.344 62.300 0.053 0.000 0.881 208 V CB 1.319 33.158 31.823 0.026 0.000 0.982 208 V HN 0.714 nan 8.190 nan 0.000 0.451 209 N N 4.774 123.524 118.700 0.083 0.000 2.321 209 N HA 0.586 5.325 4.740 -0.000 0.000 0.299 209 N C -1.119 174.452 175.510 0.101 0.000 1.048 209 N CA -0.517 52.568 53.050 0.058 0.000 0.836 209 N CB 2.778 41.296 38.487 0.052 0.000 1.269 209 N HN 0.489 nan 8.380 nan 0.000 0.486 210 L N 2.737 123.987 121.223 0.045 0.000 2.556 210 L HA 0.373 4.713 4.340 -0.000 0.000 0.243 210 L C -2.462 174.435 176.870 0.044 0.000 1.331 210 L CA -1.610 53.273 54.840 0.072 0.000 0.927 210 L CB 1.004 43.099 42.059 0.059 0.000 1.219 210 L HN 0.163 nan 8.230 nan 0.000 0.490 211 P HA 0.190 nan 4.420 nan 0.000 0.271 211 P C 1.024 178.343 177.300 0.031 0.000 1.216 211 P CA 0.485 63.595 63.100 0.017 0.000 0.771 211 P CB 1.159 32.840 31.700 -0.032 0.000 0.864 212 G N 1.408 110.216 108.800 0.013 0.000 2.179 212 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.260 212 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.260 212 G C 0.318 175.217 174.900 -0.001 0.000 0.977 212 G CA 0.016 45.114 45.100 -0.003 0.000 0.641 212 G HN 0.866 nan 8.290 nan 0.000 0.533 213 A N -0.107 122.719 122.820 0.010 0.000 2.306 213 A HA 0.890 5.210 4.320 -0.000 0.000 0.314 213 A C 0.664 178.250 177.584 0.004 0.000 1.164 213 A CA 0.626 52.672 52.037 0.015 0.000 0.822 213 A CB 1.294 20.317 19.000 0.038 0.000 1.130 213 A HN 1.911 nan 8.150 nan 0.000 0.496 214 A N 2.714 125.539 122.820 0.008 0.000 3.078 214 A HA 0.495 4.814 4.320 -0.000 0.000 0.279 214 A C 0.173 177.767 177.584 0.018 0.000 1.594 214 A CA -0.304 51.735 52.037 0.002 0.000 1.301 214 A CB -0.961 18.039 19.000 -0.001 0.000 1.162 214 A HN 0.859 nan 8.150 nan 0.000 0.585 215 V N 2.488 122.399 119.914 -0.005 0.000 2.584 215 V HA -0.046 4.074 4.120 -0.000 0.000 0.303 215 V C 0.948 177.023 176.094 -0.033 0.000 1.035 215 V CA 1.185 63.466 62.300 -0.032 0.000 1.172 215 V CB 0.456 32.157 31.823 -0.203 0.000 0.896 215 V HN 0.912 nan 8.190 nan 0.000 0.486 216 D N 4.023 124.453 120.400 0.050 0.000 2.463 216 D HA 0.122 4.762 4.640 -0.000 0.000 0.224 216 D C 0.249 176.562 176.300 0.021 0.000 1.174 216 D CA -0.343 53.682 54.000 0.042 0.000 0.829 216 D CB -0.054 40.791 40.800 0.075 0.000 0.993 216 D HN 0.427 nan 8.370 nan 0.000 0.497 217 L N 1.363 122.536 121.223 -0.084 0.000 2.461 217 L HA 0.221 4.561 4.340 -0.000 0.000 0.272 217 L C -1.562 175.273 176.870 -0.058 0.000 1.197 217 L CA -1.400 53.381 54.840 -0.099 0.000 0.836 217 L CB 0.022 41.923 42.059 -0.264 0.000 1.105 217 L HN -0.052 nan 8.230 nan 0.000 0.477 218 P HA 0.019 nan 4.420 nan 0.000 0.268 218 P C 0.050 177.346 177.300 -0.007 0.000 1.205 218 P CA -0.211 62.886 63.100 -0.005 0.000 0.771 218 P CB 1.040 32.747 31.700 0.011 0.000 0.858 219 A N 3.615 126.439 122.820 0.007 0.000 1.865 219 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 219 A C 1.027 178.632 177.584 0.034 0.000 1.191 219 A CA 1.491 53.543 52.037 0.025 0.000 0.623 219 A CB -0.781 18.234 19.000 0.025 0.000 0.826 219 A HN 0.443 nan 8.150 nan 0.000 0.444 220 V N 1.734 121.665 119.914 0.029 0.000 2.257 220 V HA 0.326 4.446 4.120 -0.000 0.000 0.269 220 V C 0.346 176.458 176.094 0.030 0.000 1.040 220 V CA -0.195 62.124 62.300 0.032 0.000 0.813 220 V CB 0.335 32.176 31.823 0.030 0.000 1.065 220 V HN 0.573 nan 8.190 nan 0.000 0.457 221 S N 2.782 118.501 115.700 0.032 0.000 2.624 221 S HA 0.293 4.763 4.470 -0.000 0.000 0.263 221 S C 1.079 175.703 174.600 0.040 0.000 1.287 221 S CA -0.389 57.830 58.200 0.033 0.000 0.990 221 S CB 1.319 64.537 63.200 0.031 0.000 0.950 221 S HN 0.570 nan 8.310 nan 0.000 0.561 222 E N 1.008 121.233 120.200 0.040 0.000 2.086 222 E HA -0.217 4.133 4.350 -0.000 0.000 0.200 222 E C 1.865 178.497 176.600 0.054 0.000 1.012 222 E CA 1.469 57.896 56.400 0.044 0.000 0.812 222 E CB -0.364 29.360 29.700 0.040 0.000 0.743 222 E HN 0.755 nan 8.360 nan 0.000 0.453 223 K N 0.506 120.942 120.400 0.060 0.000 2.063 223 K HA -0.183 4.136 4.320 -0.000 0.000 0.208 223 K C 1.582 178.242 176.600 0.101 0.000 1.048 223 K CA 1.660 57.996 56.287 0.081 0.000 0.928 223 K CB -0.044 32.506 32.500 0.084 0.000 0.713 223 K HN -0.000 nan 8.250 nan 0.000 0.442 224 D N 0.966 121.412 120.400 0.076 0.000 2.123 224 D HA -0.156 4.483 4.640 -0.000 0.000 0.196 224 D C 1.998 178.326 176.300 0.047 0.000 0.992 224 D CA 1.030 55.064 54.000 0.056 0.000 0.833 224 D CB -0.265 40.562 40.800 0.044 0.000 0.954 224 D HN 0.280 nan 8.370 nan 0.000 0.455 225 I N 1.016 121.617 120.570 0.053 0.000 2.091 225 I HA -0.330 3.839 4.170 -0.000 0.000 0.239 225 I C 2.536 178.699 176.117 0.077 0.000 1.061 225 I CA 1.227 62.558 61.300 0.052 0.000 1.317 225 I CB -0.264 37.766 38.000 0.049 0.000 1.031 225 I HN 0.011 nan 8.210 nan 0.000 0.401 226 Q N 0.543 120.408 119.800 0.109 0.000 2.061 226 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 226 Q C 1.894 178.058 176.000 0.273 0.000 0.984 226 Q CA 1.760 57.672 55.803 0.182 0.000 0.846 226 Q CB -0.644 28.186 28.738 0.153 0.000 0.902 226 Q HN 0.552 nan 8.270 nan 0.000 0.421 227 D N 0.690 121.223 120.400 0.221 0.000 2.104 227 D HA -0.137 4.502 4.640 -0.000 0.000 0.194 227 D C 2.198 178.431 176.300 -0.111 0.000 0.994 227 D CA 0.824 54.847 54.000 0.040 0.000 0.830 227 D CB -0.390 40.360 40.800 -0.084 0.000 0.959 227 D HN 0.191 nan 8.370 nan 0.000 0.452 228 L N 0.298 121.475 121.223 -0.076 0.000 2.083 228 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 228 L C 2.320 179.174 176.870 -0.026 0.000 1.083 228 L CA 1.245 56.035 54.840 -0.082 0.000 0.752 228 L CB -0.232 41.798 42.059 -0.047 0.000 0.899 228 L HN -0.013 nan 8.230 nan 0.000 0.433 229 K N -0.940 119.489 120.400 0.048 0.000 2.228 229 K HA -0.132 4.188 4.320 -0.000 0.000 0.202 229 K C 1.984 178.644 176.600 0.101 0.000 1.051 229 K CA 0.928 57.255 56.287 0.067 0.000 0.960 229 K CB -0.093 32.462 32.500 0.091 0.000 0.743 229 K HN 0.103 nan 8.250 nan 0.000 0.458 230 F N 1.318 121.263 119.950 -0.007 0.000 2.186 230 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 230 F C 1.958 177.699 175.800 -0.099 0.000 1.090 230 F CA 1.494 59.468 58.000 -0.043 0.000 1.307 230 F CB -0.481 38.393 39.000 -0.210 0.000 1.019 230 F HN -0.032 nan 8.300 nan 0.000 0.489 231 G N 0.077 108.793 108.800 -0.140 0.000 2.418 231 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 231 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 231 G C 1.715 176.494 174.900 -0.201 0.000 1.158 231 G CA 1.213 46.175 45.100 -0.230 0.000 0.771 231 G HN 0.333 nan 8.290 nan 0.000 0.545 232 V N 0.942 120.777 119.914 -0.132 0.000 2.261 232 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 232 V C 2.640 178.660 176.094 -0.124 0.000 1.047 232 V CA 2.294 64.534 62.300 -0.099 0.000 1.015 232 V CB -0.473 31.319 31.823 -0.052 0.000 0.642 232 V HN 0.482 nan 8.190 nan 0.000 0.446 233 E N 0.523 120.639 120.200 -0.140 0.000 2.097 233 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 233 E C 2.061 178.519 176.600 -0.237 0.000 1.000 233 E CA 1.606 57.912 56.400 -0.156 0.000 0.804 233 E CB -0.280 29.349 29.700 -0.118 0.000 0.740 233 E HN 0.554 nan 8.360 nan 0.000 0.454 234 Q N 0.319 119.875 119.800 -0.406 0.000 2.322 234 Q HA 0.016 4.355 4.340 -0.000 0.000 0.203 234 Q C -0.229 175.650 176.000 -0.203 0.000 0.923 234 Q CA 0.818 56.398 55.803 -0.371 0.000 0.949 234 Q CB 0.067 28.439 28.738 -0.609 0.000 1.039 234 Q HN 0.372 nan 8.270 nan 0.000 0.496 235 D N 0.175 120.481 120.400 -0.156 0.000 2.689 235 D HA -0.158 4.482 4.640 -0.000 0.000 0.237 235 D C -0.125 176.129 176.300 -0.078 0.000 1.148 235 D CA 0.555 54.500 54.000 -0.092 0.000 0.656 235 D CB -1.108 39.654 40.800 -0.062 0.000 1.050 235 D HN 0.182 nan 8.370 nan 0.000 0.426 236 V N -2.837 117.014 119.914 -0.105 0.000 3.096 236 V HA 0.207 4.327 4.120 -0.000 0.000 0.306 236 V C 1.426 177.484 176.094 -0.060 0.000 1.088 236 V CA 0.509 62.755 62.300 -0.090 0.000 1.129 236 V CB 1.184 32.927 31.823 -0.133 0.000 1.014 236 V HN 0.109 nan 8.190 nan 0.000 0.486 237 D N 1.958 122.331 120.400 -0.046 0.000 2.216 237 D HA 0.150 4.789 4.640 -0.000 0.000 0.208 237 D C 0.717 177.003 176.300 -0.022 0.000 0.960 237 D CA 1.647 55.641 54.000 -0.010 0.000 0.861 237 D CB 0.416 41.233 40.800 0.028 0.000 0.985 237 D HN 0.814 nan 8.370 nan 0.000 0.493 238 M N -0.869 118.681 119.600 -0.082 0.000 2.569 238 M HA 0.531 5.011 4.480 -0.000 0.000 0.279 238 M C -1.719 174.448 176.300 -0.221 0.000 1.253 238 M CA -0.903 54.340 55.300 -0.095 0.000 0.867 238 M CB 3.093 35.675 32.600 -0.030 0.000 1.727 238 M HN -0.423 nan 8.290 nan 0.000 0.467 239 V N 2.438 122.263 119.914 -0.148 0.000 2.487 239 V HA 0.505 4.625 4.120 -0.000 0.000 0.298 239 V C -1.267 174.834 176.094 0.011 0.000 1.028 239 V CA -0.401 61.796 62.300 -0.173 0.000 0.860 239 V CB 1.749 33.512 31.823 -0.100 0.000 0.991 239 V HN 0.673 nan 8.190 nan 0.000 0.427 240 F N 3.584 123.507 119.950 -0.046 0.000 2.375 240 F HA 0.619 5.146 4.527 -0.000 0.000 0.362 240 F C 0.770 176.537 175.800 -0.056 0.000 1.129 240 F CA -1.416 56.556 58.000 -0.047 0.000 1.154 240 F CB 0.740 39.717 39.000 -0.039 0.000 1.205 240 F HN 0.512 nan 8.300 nan 0.000 0.513 241 A N 2.844 125.740 122.820 0.127 0.000 2.279 241 A HA 0.529 4.849 4.320 -0.000 0.000 0.306 241 A C 0.380 177.971 177.584 0.012 0.000 1.300 241 A CA -0.396 51.671 52.037 0.051 0.000 0.925 241 A CB 0.055 19.074 19.000 0.031 0.000 1.152 241 A HN 0.582 nan 8.150 nan 0.000 0.544 242 S N 1.389 117.090 115.700 0.001 0.000 2.565 242 S HA 0.434 4.904 4.470 -0.000 0.000 0.276 242 S C 0.034 174.637 174.600 0.006 0.000 1.326 242 S CA 0.004 58.131 58.200 -0.122 0.000 1.045 242 S CB -0.335 62.812 63.200 -0.089 0.000 0.918 242 S HN 0.807 nan 8.310 nan 0.000 0.505 243 F N -0.337 119.615 119.950 0.003 0.000 3.034 243 F HA -0.174 4.353 4.527 -0.000 0.000 0.286 243 F C 0.332 176.126 175.800 -0.009 0.000 0.804 243 F CA -0.272 57.724 58.000 -0.008 0.000 1.161 243 F CB -1.802 37.186 39.000 -0.020 0.000 1.317 243 F HN 0.400 nan 8.300 nan 0.000 0.453 244 I N 1.299 121.927 120.570 0.096 0.000 2.662 244 I HA -0.069 4.101 4.170 -0.000 0.000 0.285 244 I C 1.581 177.731 176.117 0.056 0.000 1.161 244 I CA 0.770 62.103 61.300 0.055 0.000 1.415 244 I CB 0.645 38.650 38.000 0.008 0.000 1.385 244 I HN 0.310 nan 8.210 nan 0.000 0.552 245 R N 5.299 125.826 120.500 0.044 0.000 2.254 245 R HA 0.146 4.485 4.340 -0.000 0.000 0.193 245 R C 0.013 176.322 176.300 0.015 0.000 0.929 245 R CA 0.269 56.394 56.100 0.043 0.000 1.038 245 R CB 0.518 30.841 30.300 0.039 0.000 1.009 245 R HN 0.652 nan 8.270 nan 0.000 0.512 246 K N -2.647 117.743 120.400 -0.017 0.000 2.658 246 K HA 0.468 4.788 4.320 -0.000 0.000 0.293 246 K C -0.075 176.460 176.600 -0.110 0.000 1.026 246 K CA -0.286 55.973 56.287 -0.047 0.000 0.871 246 K CB 0.854 33.337 32.500 -0.028 0.000 1.524 246 K HN -0.175 nan 8.250 nan 0.000 0.400 247 A N 0.927 123.658 122.820 -0.149 0.000 1.908 247 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 247 A C 2.304 179.614 177.584 -0.456 0.000 1.181 247 A CA 2.493 54.350 52.037 -0.301 0.000 0.627 247 A CB -1.240 17.621 19.000 -0.232 0.000 0.818 247 A HN 0.852 nan 8.150 nan 0.000 0.445 248 A N 0.248 122.954 122.820 -0.190 0.000 1.892 248 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 248 A C 1.751 179.300 177.584 -0.059 0.000 1.188 248 A CA 2.209 54.218 52.037 -0.047 0.000 0.631 248 A CB -0.835 18.181 19.000 0.027 0.000 0.822 248 A HN 0.482 nan 8.150 nan 0.000 0.447 249 D N -0.278 120.081 120.400 -0.068 0.000 2.133 249 D HA -0.150 4.490 4.640 -0.000 0.000 0.192 249 D C 2.015 178.283 176.300 -0.054 0.000 1.001 249 D CA 1.706 55.682 54.000 -0.039 0.000 0.844 249 D CB -0.610 40.175 40.800 -0.025 0.000 0.944 249 D HN 0.252 nan 8.370 nan 0.000 0.447 250 V N 0.346 120.177 119.914 -0.137 0.000 2.407 250 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 250 V C 1.990 178.057 176.094 -0.045 0.000 1.055 250 V CA 1.834 64.058 62.300 -0.126 0.000 1.049 250 V CB -0.768 30.929 31.823 -0.210 0.000 0.662 250 V HN 0.372 nan 8.190 nan 0.000 0.455 251 H N -0.186 118.881 119.070 -0.005 0.000 2.389 251 H HA -0.099 4.457 4.556 -0.000 0.000 0.299 251 H C 2.452 177.780 175.328 0.001 0.000 1.081 251 H CA 1.304 57.350 56.048 -0.004 0.000 1.345 251 H CB 0.119 29.878 29.762 -0.005 0.000 1.393 251 H HN 0.497 nan 8.280 nan 0.000 0.520 252 E N 0.541 120.809 120.200 0.114 0.000 2.058 252 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 252 E C 2.413 179.043 176.600 0.049 0.000 0.997 252 E CA 1.383 57.823 56.400 0.066 0.000 0.801 252 E CB -0.025 29.702 29.700 0.045 0.000 0.746 252 E HN 0.239 nan 8.360 nan 0.000 0.450 253 V N 1.146 121.083 119.914 0.039 0.000 2.255 253 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 253 V C 2.455 178.567 176.094 0.030 0.000 1.051 253 V CA 2.162 64.477 62.300 0.025 0.000 1.018 253 V CB -0.560 31.272 31.823 0.015 0.000 0.641 253 V HN 0.197 nan 8.190 nan 0.000 0.445 254 R N -0.028 120.502 120.500 0.049 0.000 2.096 254 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 254 R C 2.480 178.801 176.300 0.036 0.000 1.127 254 R CA 1.800 57.929 56.100 0.048 0.000 0.968 254 R CB -0.245 30.102 30.300 0.079 0.000 0.861 254 R HN 0.495 nan 8.270 nan 0.000 0.440 255 K N 0.293 120.718 120.400 0.042 0.000 2.057 255 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 255 K C 1.895 178.509 176.600 0.022 0.000 1.050 255 K CA 1.102 57.405 56.287 0.027 0.000 0.935 255 K CB 0.059 32.577 32.500 0.029 0.000 0.715 255 K HN 0.104 nan 8.250 nan 0.000 0.439 256 I N 1.865 122.449 120.570 0.024 0.000 2.179 256 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 256 I C 2.304 178.428 176.117 0.013 0.000 1.088 256 I CA 1.311 62.623 61.300 0.020 0.000 1.357 256 I CB -1.107 36.905 38.000 0.020 0.000 1.051 256 I HN 0.218 nan 8.210 nan 0.000 0.409 257 L N 0.288 121.516 121.223 0.008 0.000 2.265 257 L HA -0.043 4.297 4.340 -0.000 0.000 0.215 257 L C 1.621 178.493 176.870 0.003 0.000 1.117 257 L CA 0.748 55.588 54.840 -0.001 0.000 0.782 257 L CB -1.121 40.934 42.059 -0.006 0.000 0.914 257 L HN 0.487 nan 8.230 nan 0.000 0.441 258 G N 0.323 109.128 108.800 0.008 0.000 2.591 258 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.278 258 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.278 258 G C 0.566 175.470 174.900 0.006 0.000 1.293 258 G CA 0.671 45.776 45.100 0.008 0.000 0.930 258 G HN 0.276 nan 8.290 nan 0.000 0.562 259 E N -0.221 119.982 120.200 0.005 0.000 2.072 259 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 259 E C 2.464 179.065 176.600 0.003 0.000 0.985 259 E CA 1.918 58.320 56.400 0.004 0.000 0.801 259 E CB -0.231 29.471 29.700 0.004 0.000 0.750 259 E HN 0.536 nan 8.360 nan 0.000 0.452 260 K N -1.005 119.395 120.400 0.001 0.000 2.147 260 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 260 K C 1.160 177.755 176.600 -0.007 0.000 1.049 260 K CA 1.324 57.609 56.287 -0.003 0.000 0.936 260 K CB -0.190 32.307 32.500 -0.005 0.000 0.722 260 K HN 0.197 nan 8.250 nan 0.000 0.446 261 G N 1.034 109.830 108.800 -0.007 0.000 3.936 261 G HA2 0.018 3.978 3.960 -0.000 0.000 0.296 261 G HA3 0.018 3.978 3.960 -0.000 0.000 0.296 261 G C 0.659 175.559 174.900 0.000 0.000 1.121 261 G CA -0.405 44.689 45.100 -0.010 0.000 0.899 261 G HN 0.337 nan 8.290 nan 0.000 0.542 262 K N -0.340 120.064 120.400 0.007 0.000 2.209 262 K HA -0.068 4.251 4.320 -0.000 0.000 0.204 262 K C 1.277 177.890 176.600 0.022 0.000 1.048 262 K CA 1.393 57.689 56.287 0.014 0.000 0.940 262 K CB -0.211 32.297 32.500 0.015 0.000 0.729 262 K HN 0.291 nan 8.250 nan 0.000 0.451 263 N N 0.643 119.357 118.700 0.023 0.000 2.398 263 N HA 0.164 4.904 4.740 -0.000 0.000 0.188 263 N C -0.335 175.197 175.510 0.036 0.000 1.122 263 N CA -0.257 52.814 53.050 0.036 0.000 0.866 263 N CB 0.150 38.660 38.487 0.038 0.000 0.970 263 N HN 0.131 nan 8.380 nan 0.000 0.462 264 I N 1.685 122.267 120.570 0.020 0.000 2.496 264 I HA 0.031 4.201 4.170 -0.000 0.000 0.285 264 I C 0.236 176.366 176.117 0.021 0.000 1.080 264 I CA -0.308 60.998 61.300 0.009 0.000 1.404 264 I CB 0.567 38.557 38.000 -0.018 0.000 1.403 264 I HN -0.115 nan 8.210 nan 0.000 0.539 265 K N 7.244 127.662 120.400 0.030 0.000 2.339 265 K HA 0.427 4.747 4.320 -0.000 0.000 0.286 265 K C -0.379 176.242 176.600 0.034 0.000 1.050 265 K CA -0.235 56.078 56.287 0.043 0.000 0.956 265 K CB 0.738 33.276 32.500 0.062 0.000 0.990 265 K HN 0.469 nan 8.250 nan 0.000 0.475 266 I N 4.976 125.567 120.570 0.035 0.000 2.312 266 I HA 0.148 4.318 4.170 -0.000 0.000 0.291 266 I C 0.056 176.206 176.117 0.054 0.000 1.031 266 I CA -0.629 60.694 61.300 0.039 0.000 1.293 266 I CB 0.639 38.652 38.000 0.021 0.000 1.403 266 I HN 0.173 nan 8.210 nan 0.000 0.484 267 I N 5.425 126.066 120.570 0.117 0.000 2.304 267 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 267 I C 0.436 176.592 176.117 0.065 0.000 1.018 267 I CA -0.165 61.197 61.300 0.103 0.000 1.260 267 I CB 0.991 39.112 38.000 0.201 0.000 1.390 267 I HN 0.440 nan 8.210 nan 0.000 0.475 268 S N 6.692 122.396 115.700 0.007 0.000 2.465 268 S HA 0.260 4.730 4.470 -0.000 0.000 0.279 268 S C 0.268 174.854 174.600 -0.025 0.000 1.201 268 S CA -0.599 57.596 58.200 -0.007 0.000 1.053 268 S CB 0.399 63.583 63.200 -0.026 0.000 0.953 268 S HN 0.360 nan 8.310 nan 0.000 0.488 269 K N 3.131 123.501 120.400 -0.049 0.000 2.297 269 K HA 0.284 4.604 4.320 -0.000 0.000 0.286 269 K C -0.482 176.070 176.600 -0.080 0.000 1.053 269 K CA -0.282 55.941 56.287 -0.106 0.000 0.940 269 K CB 0.439 32.832 32.500 -0.178 0.000 1.019 269 K HN 0.406 nan 8.250 nan 0.000 0.475 270 I N 3.980 124.514 120.570 -0.060 0.000 2.312 270 I HA 0.091 4.261 4.170 -0.000 0.000 0.290 270 I C 0.559 176.633 176.117 -0.071 0.000 1.008 270 I CA -0.070 61.216 61.300 -0.023 0.000 1.226 270 I CB 0.707 38.719 38.000 0.020 0.000 1.371 270 I HN 0.802 nan 8.210 nan 0.000 0.468 271 E N 4.333 124.508 120.200 -0.041 0.000 2.933 271 E HA 0.182 4.532 4.350 -0.000 0.000 0.175 271 E C -0.759 175.894 176.600 0.088 0.000 0.932 271 E CA -0.559 55.821 56.400 -0.035 0.000 1.340 271 E CB 0.228 29.815 29.700 -0.188 0.000 1.025 271 E HN 0.679 nan 8.360 nan 0.000 0.461 272 N N -0.892 117.857 118.700 0.082 0.000 2.823 272 N HA 0.096 4.836 4.740 -0.000 0.000 0.251 272 N C 0.184 175.744 175.510 0.083 0.000 1.392 272 N CA -0.786 52.326 53.050 0.103 0.000 0.864 272 N CB 0.589 39.168 38.487 0.153 0.000 1.481 272 N HN -0.123 nan 8.380 nan 0.000 0.508 273 H N 0.043 119.117 119.070 0.006 0.000 2.353 273 H HA -0.123 4.433 4.556 -0.000 0.000 0.298 273 H C 1.128 176.459 175.328 0.006 0.000 1.103 273 H CA 2.418 58.462 56.048 -0.006 0.000 1.293 273 H CB 0.287 30.041 29.762 -0.013 0.000 1.372 273 H HN 0.857 nan 8.280 nan 0.000 0.501 274 E N -0.570 119.745 120.200 0.190 0.000 2.051 274 E HA -0.107 4.242 4.350 -0.000 0.000 0.192 274 E C 2.496 179.162 176.600 0.109 0.000 0.991 274 E CA 1.011 57.484 56.400 0.122 0.000 0.799 274 E CB -0.396 29.344 29.700 0.067 0.000 0.748 274 E HN 0.528 nan 8.360 nan 0.000 0.449 275 G N 0.392 109.252 108.800 0.099 0.000 2.469 275 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 275 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 275 G C 1.622 176.599 174.900 0.128 0.000 1.136 275 G CA 1.116 46.276 45.100 0.099 0.000 0.759 275 G HN 0.255 nan 8.290 nan 0.000 0.562 276 V N 0.267 120.222 119.914 0.069 0.000 2.379 276 V HA -0.079 4.040 4.120 -0.000 0.000 0.245 276 V C 2.733 178.873 176.094 0.076 0.000 1.044 276 V CA 1.878 64.187 62.300 0.016 0.000 1.036 276 V CB -0.469 31.274 31.823 -0.134 0.000 0.664 276 V HN 0.358 nan 8.190 nan 0.000 0.453 277 R N 0.574 121.137 120.500 0.105 0.000 2.094 277 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 277 R C 1.832 178.192 176.300 0.100 0.000 1.137 277 R CA 1.717 57.885 56.100 0.113 0.000 0.943 277 R CB -0.099 30.285 30.300 0.140 0.000 0.850 277 R HN 0.400 nan 8.270 nan 0.000 0.433 278 R N -0.106 120.452 120.500 0.095 0.000 2.752 278 R HA 0.038 4.377 4.340 -0.000 0.000 0.279 278 R C 0.990 177.329 176.300 0.065 0.000 1.212 278 R CA -0.326 55.810 56.100 0.060 0.000 1.169 278 R CB -0.064 30.252 30.300 0.026 0.000 1.286 278 R HN 0.232 nan 8.270 nan 0.000 0.564 279 F N 1.825 121.760 119.950 -0.025 0.000 2.075 279 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 279 F C 1.460 177.238 175.800 -0.037 0.000 1.113 279 F CA 1.811 59.789 58.000 -0.037 0.000 1.218 279 F CB 0.109 39.081 39.000 -0.047 0.000 0.984 279 F HN 0.045 nan 8.300 nan 0.000 0.472 280 D N 0.433 120.788 120.400 -0.075 0.000 2.149 280 D HA -0.273 4.367 4.640 -0.000 0.000 0.194 280 D C 2.138 178.298 176.300 -0.234 0.000 1.001 280 D CA 1.969 55.864 54.000 -0.175 0.000 0.849 280 D CB -0.633 40.156 40.800 -0.019 0.000 0.939 280 D HN 0.722 nan 8.370 nan 0.000 0.449 281 E N 0.337 120.441 120.200 -0.159 0.000 2.152 281 E HA -0.107 4.242 4.350 -0.000 0.000 0.192 281 E C 2.193 178.672 176.600 -0.202 0.000 0.983 281 E CA 0.626 56.943 56.400 -0.139 0.000 0.818 281 E CB -0.396 29.256 29.700 -0.080 0.000 0.758 281 E HN 0.278 nan 8.360 nan 0.000 0.467 282 I N 0.722 121.131 120.570 -0.268 0.000 2.202 282 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 282 I C 2.491 178.392 176.117 -0.360 0.000 1.091 282 I CA 0.579 61.708 61.300 -0.285 0.000 1.368 282 I CB -0.247 37.614 38.000 -0.231 0.000 1.058 282 I HN 0.154 nan 8.210 nan 0.000 0.410 283 L N 0.922 121.773 121.223 -0.619 0.000 2.043 283 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 283 L C 2.494 179.206 176.870 -0.262 0.000 1.075 283 L CA 1.971 56.495 54.840 -0.527 0.000 0.752 283 L CB -0.808 40.799 42.059 -0.753 0.000 0.891 283 L HN 0.229 nan 8.230 nan 0.000 0.432 284 E N -0.025 120.043 120.200 -0.220 0.000 2.058 284 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 284 E C 1.971 178.529 176.600 -0.069 0.000 0.997 284 E CA 1.517 57.849 56.400 -0.113 0.000 0.801 284 E CB -0.173 29.477 29.700 -0.083 0.000 0.746 284 E HN 0.611 nan 8.360 nan 0.000 0.450 285 A N 0.266 123.035 122.820 -0.085 0.000 2.167 285 A HA 0.067 4.387 4.320 -0.000 0.000 0.214 285 A C 1.290 178.849 177.584 -0.041 0.000 1.151 285 A CA 0.263 52.279 52.037 -0.036 0.000 0.735 285 A CB 0.114 19.026 19.000 -0.147 0.000 0.802 285 A HN 0.115 nan 8.150 nan 0.000 0.467 286 S N -0.087 115.566 115.700 -0.080 0.000 2.687 286 S HA 0.337 4.807 4.470 -0.000 0.000 0.283 286 S C -0.028 174.551 174.600 -0.036 0.000 1.170 286 S CA -0.569 57.596 58.200 -0.059 0.000 1.008 286 S CB 1.129 64.277 63.200 -0.087 0.000 1.026 286 S HN 0.363 nan 8.310 nan 0.000 0.541 287 D N 0.441 120.831 120.400 -0.015 0.000 2.346 287 D HA 0.282 4.922 4.640 -0.000 0.000 0.206 287 D C 0.812 177.088 176.300 -0.040 0.000 1.001 287 D CA 0.527 54.525 54.000 -0.004 0.000 0.871 287 D CB 0.466 41.279 40.800 0.022 0.000 0.943 287 D HN 0.644 nan 8.370 nan 0.000 0.518 288 G N -0.204 108.567 108.800 -0.048 0.000 2.441 288 G HA2 0.453 4.413 3.960 -0.000 0.000 0.294 288 G HA3 0.453 4.413 3.960 -0.000 0.000 0.294 288 G C -1.920 172.955 174.900 -0.043 0.000 1.393 288 G CA -0.606 44.452 45.100 -0.071 0.000 0.796 288 G HN -0.075 nan 8.290 nan 0.000 0.494 289 I N 0.425 120.970 120.570 -0.042 0.000 2.752 289 I HA 0.506 4.676 4.170 -0.000 0.000 0.295 289 I C -0.573 175.499 176.117 -0.075 0.000 1.219 289 I CA -0.594 60.702 61.300 -0.005 0.000 1.030 289 I CB 2.091 40.169 38.000 0.131 0.000 1.259 289 I HN 0.676 nan 8.210 nan 0.000 0.423 290 M N 5.374 124.911 119.600 -0.105 0.000 2.311 290 M HA 0.484 4.963 4.480 -0.000 0.000 0.325 290 M C -1.302 174.919 176.300 -0.133 0.000 1.061 290 M CA -0.740 54.452 55.300 -0.181 0.000 0.957 290 M CB 1.887 34.301 32.600 -0.310 0.000 1.646 290 M HN 0.291 nan 8.290 nan 0.000 0.434 291 V N 5.060 124.893 119.914 -0.136 0.000 2.276 291 V HA 0.256 4.376 4.120 -0.000 0.000 0.249 291 V C 0.653 176.671 176.094 -0.126 0.000 1.160 291 V CA -0.410 61.816 62.300 -0.124 0.000 1.042 291 V CB -0.076 31.677 31.823 -0.118 0.000 1.224 291 V HN 0.883 nan 8.190 nan 0.000 0.496 292 A N 5.470 128.209 122.820 -0.135 0.000 3.037 292 A HA 0.242 4.562 4.320 -0.000 0.000 0.272 292 A C 1.602 179.124 177.584 -0.103 0.000 1.723 292 A CA -0.291 51.662 52.037 -0.140 0.000 1.413 292 A CB -0.514 18.369 19.000 -0.194 0.000 1.112 292 A HN 0.833 nan 8.150 nan 0.000 0.606 293 R N 0.912 121.364 120.500 -0.080 0.000 2.200 293 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 293 R C 2.171 178.448 176.300 -0.037 0.000 1.127 293 R CA 1.187 57.253 56.100 -0.056 0.000 0.989 293 R CB -0.181 30.094 30.300 -0.041 0.000 0.869 293 R HN 0.654 nan 8.270 nan 0.000 0.459 294 G N 1.656 110.437 108.800 -0.032 0.000 2.552 294 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 294 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 294 G C 0.998 175.902 174.900 0.006 0.000 1.240 294 G CA 0.993 46.089 45.100 -0.006 0.000 0.796 294 G HN 0.201 nan 8.290 nan 0.000 0.568 295 D N 0.053 120.461 120.400 0.012 0.000 2.144 295 D HA -0.077 4.563 4.640 -0.000 0.000 0.200 295 D C 2.475 178.796 176.300 0.035 0.000 0.978 295 D CA 0.593 54.633 54.000 0.067 0.000 0.833 295 D CB -0.093 40.804 40.800 0.162 0.000 0.961 295 D HN 0.155 nan 8.370 nan 0.000 0.470 296 L N 1.075 122.292 121.223 -0.009 0.000 2.079 296 L HA -0.071 4.269 4.340 -0.000 0.000 0.210 296 L C 2.120 178.963 176.870 -0.044 0.000 1.081 296 L CA 1.824 56.645 54.840 -0.032 0.000 0.752 296 L CB -0.786 41.235 42.059 -0.064 0.000 0.896 296 L HN -0.004 nan 8.230 nan 0.000 0.433 297 G N -1.613 107.165 108.800 -0.037 0.000 2.920 297 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.208 297 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.208 297 G C 1.395 176.258 174.900 -0.062 0.000 1.159 297 G CA 0.618 45.694 45.100 -0.041 0.000 0.784 297 G HN 0.489 nan 8.290 nan 0.000 0.535 298 I N -0.592 119.936 120.570 -0.070 0.000 3.039 298 I HA 0.115 4.285 4.170 -0.000 0.000 0.270 298 I C 2.311 178.313 176.117 -0.190 0.000 1.150 298 I CA 0.248 61.457 61.300 -0.150 0.000 1.448 298 I CB 0.129 38.073 38.000 -0.093 0.000 1.197 298 I HN -0.052 nan 8.210 nan 0.000 0.450 299 E N 1.707 121.856 120.200 -0.085 0.000 2.152 299 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 299 E C 0.847 177.424 176.600 -0.039 0.000 0.983 299 E CA 0.886 57.256 56.400 -0.049 0.000 0.818 299 E CB 0.146 29.861 29.700 0.024 0.000 0.758 299 E HN 0.536 nan 8.360 nan 0.000 0.467 300 I N -2.206 118.329 120.570 -0.059 0.000 2.910 300 I HA 0.476 4.646 4.170 -0.000 0.000 0.310 300 I C -2.662 173.411 176.117 -0.075 0.000 1.043 300 I CA -3.013 58.251 61.300 -0.061 0.000 1.053 300 I CB 1.702 39.626 38.000 -0.126 0.000 1.242 300 I HN -0.368 nan 8.210 nan 0.000 0.452 301 P HA 0.051 nan 4.420 nan 0.000 0.266 301 P C 0.213 177.490 177.300 -0.037 0.000 1.195 301 P CA 0.164 63.239 63.100 -0.042 0.000 0.768 301 P CB 0.962 32.650 31.700 -0.019 0.000 0.838 302 A N 4.056 126.864 122.820 -0.019 0.000 2.015 302 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 302 A C 1.723 179.330 177.584 0.038 0.000 1.163 302 A CA 1.189 53.226 52.037 0.000 0.000 0.646 302 A CB -0.850 18.154 19.000 0.008 0.000 0.806 302 A HN 0.667 nan 8.150 nan 0.000 0.448 303 E N 0.576 120.806 120.200 0.051 0.000 2.472 303 E HA -0.149 4.201 4.350 -0.000 0.000 0.200 303 E C 1.069 177.748 176.600 0.133 0.000 1.046 303 E CA 1.098 57.567 56.400 0.114 0.000 0.871 303 E CB -0.215 29.542 29.700 0.095 0.000 0.806 303 E HN 0.632 nan 8.360 nan 0.000 0.533 304 K N 0.441 120.836 120.400 -0.008 0.000 2.354 304 K HA 0.138 4.458 4.320 -0.000 0.000 0.194 304 K C 1.949 178.399 176.600 -0.251 0.000 1.038 304 K CA 0.225 56.405 56.287 -0.178 0.000 1.052 304 K CB 0.641 33.039 32.500 -0.171 0.000 0.861 304 K HN -0.074 nan 8.250 nan 0.000 0.535 305 V N 2.078 121.936 119.914 -0.093 0.000 2.324 305 V HA -0.302 3.817 4.120 -0.000 0.000 0.250 305 V C 2.121 178.160 176.094 -0.092 0.000 1.060 305 V CA 2.135 64.384 62.300 -0.084 0.000 1.042 305 V CB -0.716 31.099 31.823 -0.014 0.000 0.650 305 V HN 0.364 nan 8.190 nan 0.000 0.450 306 F N 0.287 120.196 119.950 -0.068 0.000 2.161 306 F HA -0.144 4.383 4.527 -0.000 0.000 0.300 306 F C 1.962 177.715 175.800 -0.079 0.000 1.089 306 F CA 1.499 59.459 58.000 -0.066 0.000 1.282 306 F CB -1.111 37.861 39.000 -0.047 0.000 1.010 306 F HN 0.086 nan 8.300 nan 0.000 0.485 307 L N 1.065 121.673 121.223 -1.025 0.000 1.989 307 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 307 L C 3.033 179.681 176.870 -0.370 0.000 1.071 307 L CA 1.496 55.895 54.840 -0.736 0.000 0.749 307 L CB -1.307 40.310 42.059 -0.737 0.000 0.890 307 L HN 0.359 nan 8.230 nan 0.000 0.431 308 A N -0.896 121.727 122.820 -0.329 0.000 1.969 308 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 308 A C 2.286 179.723 177.584 -0.245 0.000 1.169 308 A CA 1.543 53.412 52.037 -0.279 0.000 0.635 308 A CB -0.512 18.334 19.000 -0.257 0.000 0.810 308 A HN 0.507 nan 8.150 nan 0.000 0.445 309 Q N -0.225 119.471 119.800 -0.174 0.000 2.084 309 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 309 Q C 1.883 177.814 176.000 -0.115 0.000 0.978 309 Q CA 1.881 57.610 55.803 -0.123 0.000 0.844 309 Q CB -0.085 28.625 28.738 -0.047 0.000 0.898 309 Q HN 0.662 nan 8.270 nan 0.000 0.426 310 K N -0.194 120.152 120.400 -0.091 0.000 2.116 310 K HA -0.064 4.255 4.320 -0.000 0.000 0.203 310 K C 2.146 178.675 176.600 -0.119 0.000 1.052 310 K CA 1.022 57.269 56.287 -0.067 0.000 0.952 310 K CB -0.130 32.369 32.500 -0.002 0.000 0.729 310 K HN 0.240 nan 8.250 nan 0.000 0.446 311 M N 1.219 120.716 119.600 -0.173 0.000 2.065 311 M HA -0.182 4.298 4.480 -0.000 0.000 0.259 311 M C 1.932 178.066 176.300 -0.277 0.000 1.069 311 M CA 1.846 57.021 55.300 -0.208 0.000 1.110 311 M CB -0.361 32.091 32.600 -0.247 0.000 1.328 311 M HN 0.138 nan 8.290 nan 0.000 0.405 312 I N 0.092 120.427 120.570 -0.392 0.000 2.226 312 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 312 I C 2.365 178.342 176.117 -0.233 0.000 1.100 312 I CA 1.128 62.104 61.300 -0.539 0.000 1.374 312 I CB -0.329 37.316 38.000 -0.591 0.000 1.057 312 I HN 0.296 nan 8.210 nan 0.000 0.413 313 I N 0.400 120.877 120.570 -0.155 0.000 2.202 313 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 313 I C 2.728 178.808 176.117 -0.063 0.000 1.091 313 I CA 1.409 62.658 61.300 -0.084 0.000 1.368 313 I CB -1.060 36.900 38.000 -0.067 0.000 1.058 313 I HN 0.256 nan 8.210 nan 0.000 0.410 314 G N 1.187 109.941 108.800 -0.076 0.000 2.599 314 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 314 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 314 G C 1.803 176.682 174.900 -0.034 0.000 1.193 314 G CA 0.861 45.925 45.100 -0.060 0.000 0.778 314 G HN 0.315 nan 8.290 nan 0.000 0.589 315 R N -0.931 119.560 120.500 -0.015 0.000 2.115 315 R HA 0.019 4.359 4.340 -0.000 0.000 0.226 315 R C 2.665 179.017 176.300 0.086 0.000 1.100 315 R CA 0.905 57.042 56.100 0.062 0.000 0.980 315 R CB -0.559 29.848 30.300 0.179 0.000 0.875 315 R HN 0.400 nan 8.270 nan 0.000 0.445 316 C N 0.719 120.068 119.300 0.082 0.000 2.446 316 C HA -0.038 4.422 4.460 -0.000 0.000 0.277 316 C C 2.177 177.166 174.990 -0.002 0.000 1.275 316 C CA 0.754 59.810 59.018 0.063 0.000 1.727 316 C CB -1.086 26.684 27.740 0.050 0.000 2.010 316 C HN 0.570 nan 8.230 nan 0.000 0.486 317 N N 0.112 118.799 118.700 -0.022 0.000 2.084 317 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 317 N C 1.991 177.458 175.510 -0.072 0.000 1.030 317 N CA 0.926 53.948 53.050 -0.048 0.000 0.849 317 N CB -0.260 38.200 38.487 -0.046 0.000 1.012 317 N HN 0.472 nan 8.380 nan 0.000 0.423 318 R N 0.903 121.372 120.500 -0.051 0.000 2.103 318 R HA -0.111 4.229 4.340 -0.000 0.000 0.242 318 R C 1.814 178.082 176.300 -0.055 0.000 1.142 318 R CA 1.625 57.693 56.100 -0.054 0.000 0.960 318 R CB -0.113 30.173 30.300 -0.024 0.000 0.858 318 R HN 0.192 nan 8.270 nan 0.000 0.439 319 A N -0.669 122.133 122.820 -0.030 0.000 2.251 319 A HA 0.215 4.535 4.320 -0.000 0.000 0.209 319 A C 1.201 178.769 177.584 -0.027 0.000 1.187 319 A CA 0.622 52.645 52.037 -0.023 0.000 0.823 319 A CB -0.100 18.893 19.000 -0.013 0.000 0.846 319 A HN 0.526 nan 8.150 nan 0.000 0.486 320 G N -0.095 108.675 108.800 -0.050 0.000 2.305 320 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.287 320 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.287 320 G C 0.038 174.957 174.900 0.032 0.000 1.036 320 G CA 0.817 45.900 45.100 -0.027 0.000 0.887 320 G HN 0.584 nan 8.290 nan 0.000 0.505 321 K N 0.290 120.681 120.400 -0.015 0.000 2.207 321 K HA 0.463 4.783 4.320 -0.000 0.000 0.255 321 K C -2.493 174.015 176.600 -0.154 0.000 0.941 321 K CA -2.209 54.042 56.287 -0.059 0.000 0.825 321 K CB 1.954 34.428 32.500 -0.044 0.000 1.119 321 K HN -0.057 nan 8.250 nan 0.000 0.430 322 P HA -0.022 nan 4.420 nan 0.000 0.265 322 P C -1.037 176.150 177.300 -0.188 0.000 1.193 322 P CA -0.240 62.633 63.100 -0.378 0.000 0.765 322 P CB 0.672 32.023 31.700 -0.582 0.000 0.823 323 V N 5.035 124.864 119.914 -0.142 0.000 2.709 323 V HA 0.517 4.637 4.120 -0.000 0.000 0.308 323 V C -0.824 175.204 176.094 -0.109 0.000 1.062 323 V CA -0.919 61.321 62.300 -0.100 0.000 0.901 323 V CB 1.578 33.365 31.823 -0.059 0.000 1.003 323 V HN 0.290 nan 8.190 nan 0.000 0.425 324 I N 5.803 126.294 120.570 -0.132 0.000 2.441 324 I HA 0.454 4.624 4.170 -0.000 0.000 0.295 324 I C -0.187 175.853 176.117 -0.128 0.000 0.994 324 I CA -0.419 60.795 61.300 -0.144 0.000 1.144 324 I CB 1.645 39.505 38.000 -0.234 0.000 1.314 324 I HN 0.620 nan 8.210 nan 0.000 0.445 325 C N 6.152 125.395 119.300 -0.095 0.000 2.307 325 C HA 0.868 5.327 4.460 -0.000 0.000 0.340 325 C C 0.356 175.297 174.990 -0.082 0.000 1.275 325 C CA -0.068 58.901 59.018 -0.081 0.000 1.811 325 C CB -0.442 27.267 27.740 -0.052 0.000 2.372 325 C HN 0.883 nan 8.230 nan 0.000 0.531 326 A N 4.384 127.153 122.820 -0.086 0.000 2.498 326 A HA 0.911 5.231 4.320 -0.000 0.000 0.298 326 A C -0.175 177.377 177.584 -0.052 0.000 1.075 326 A CA -0.139 51.849 52.037 -0.081 0.000 0.714 326 A CB 1.033 19.955 19.000 -0.130 0.000 1.299 326 A HN 1.490 nan 8.150 nan 0.000 0.407 327 T N 1.426 115.961 114.554 -0.031 0.000 0.787 327 T HA -0.083 4.267 4.350 -0.000 0.000 0.750 327 T C 0.126 174.824 174.700 -0.002 0.000 0.987 327 T CA 0.730 62.822 62.100 -0.013 0.000 3.957 327 T CB -1.560 67.295 68.868 -0.021 0.000 2.240 327 T HN 1.554 nan 8.240 nan 0.000 0.395 328 Q N -0.337 119.469 119.800 0.010 0.000 2.385 328 Q HA -0.251 4.089 4.340 -0.000 0.000 0.215 328 Q C 1.719 177.727 176.000 0.012 0.000 0.671 328 Q CA 1.530 57.342 55.803 0.015 0.000 1.335 328 Q CB -1.261 27.486 28.738 0.016 0.000 1.425 328 Q HN 0.876 nan 8.270 nan 0.000 0.781 329 M N -0.241 119.364 119.600 0.008 0.000 2.108 329 M HA -0.177 4.303 4.480 -0.000 0.000 0.257 329 M C 1.234 177.541 176.300 0.011 0.000 1.071 329 M CA 1.768 57.072 55.300 0.007 0.000 1.093 329 M CB -0.126 32.476 32.600 0.004 0.000 1.345 329 M HN 0.266 nan 8.290 nan 0.000 0.403 330 L N -0.928 120.306 121.223 0.018 0.000 3.193 330 L HA 0.189 4.529 4.340 -0.000 0.000 0.305 330 L C 1.147 178.035 176.870 0.030 0.000 1.299 330 L CA -0.411 54.443 54.840 0.022 0.000 0.904 330 L CB 0.262 42.336 42.059 0.026 0.000 1.331 330 L HN 0.021 nan 8.230 nan 0.000 0.588 331 E N 1.454 121.670 120.200 0.028 0.000 2.147 331 E HA -0.256 4.094 4.350 -0.000 0.000 0.199 331 E C 2.158 178.781 176.600 0.039 0.000 1.005 331 E CA 2.129 58.549 56.400 0.033 0.000 0.810 331 E CB 0.194 29.911 29.700 0.028 0.000 0.736 331 E HN 0.538 nan 8.360 nan 0.000 0.460 332 S N -0.600 115.121 115.700 0.035 0.000 2.447 332 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 332 S C 1.849 176.485 174.600 0.061 0.000 1.006 332 S CA 1.064 59.288 58.200 0.040 0.000 0.957 332 S CB -0.321 62.894 63.200 0.026 0.000 0.773 332 S HN 0.313 nan 8.310 nan 0.000 0.507 333 M N 0.653 120.292 119.600 0.064 0.000 2.686 333 M HA 0.188 4.668 4.480 -0.000 0.000 0.246 333 M C 1.471 177.872 176.300 0.169 0.000 1.096 333 M CA 0.543 55.905 55.300 0.103 0.000 1.076 333 M CB -0.554 32.090 32.600 0.073 0.000 1.504 333 M HN 0.370 nan 8.290 nan 0.000 0.524 334 I N 0.099 120.736 120.570 0.113 0.000 2.286 334 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 334 I C 2.223 178.401 176.117 0.101 0.000 1.115 334 I CA 1.200 62.553 61.300 0.088 0.000 1.392 334 I CB -0.152 37.879 38.000 0.052 0.000 1.065 334 I HN 0.214 nan 8.210 nan 0.000 0.418 335 K N 0.310 120.791 120.400 0.134 0.000 2.380 335 K HA 0.268 4.588 4.320 -0.000 0.000 0.198 335 K C 0.022 176.800 176.600 0.296 0.000 1.070 335 K CA 0.308 56.683 56.287 0.147 0.000 1.040 335 K CB 0.761 33.309 32.500 0.080 0.000 0.903 335 K HN 0.245 nan 8.250 nan 0.000 0.549 336 K N 0.782 121.348 120.400 0.276 0.000 2.385 336 K HA 0.280 4.600 4.320 -0.000 0.000 0.248 336 K C -2.263 174.211 176.600 -0.210 0.000 0.955 336 K CA -1.816 54.539 56.287 0.112 0.000 0.816 336 K CB 2.198 34.713 32.500 0.026 0.000 1.250 336 K HN -0.303 nan 8.250 nan 0.000 0.434 337 P HA 0.038 nan 4.420 nan 0.000 0.251 337 P C -0.468 176.628 177.300 -0.339 0.000 1.223 337 P CA 0.357 62.937 63.100 -0.867 0.000 0.796 337 P CB 0.600 31.737 31.700 -0.939 0.000 1.068 338 R N 0.719 121.100 120.500 -0.197 0.000 2.750 338 R HA 0.511 4.851 4.340 -0.000 0.000 0.281 338 R C -2.591 173.673 176.300 -0.060 0.000 0.972 338 R CA -2.448 53.590 56.100 -0.104 0.000 0.912 338 R CB 0.798 31.049 30.300 -0.081 0.000 1.187 338 R HN 0.020 nan 8.270 nan 0.000 0.464 339 P HA 0.099 nan 4.420 nan 0.000 0.277 339 P C -0.153 177.137 177.300 -0.016 0.000 1.271 339 P CA -0.238 62.853 63.100 -0.016 0.000 0.795 339 P CB 0.412 32.107 31.700 -0.009 0.000 1.101 340 T N -1.849 112.700 114.554 -0.008 0.000 2.874 340 T HA 0.248 4.598 4.350 -0.000 0.000 0.281 340 T C 1.412 176.105 174.700 -0.012 0.000 0.994 340 T CA -0.751 61.343 62.100 -0.009 0.000 1.015 340 T CB 0.522 69.387 68.868 -0.004 0.000 1.028 340 T HN 0.162 nan 8.240 nan 0.000 0.523 341 R N 0.903 121.395 120.500 -0.014 0.000 2.193 341 R HA 0.011 4.351 4.340 -0.000 0.000 0.229 341 R C 2.376 178.665 176.300 -0.018 0.000 1.110 341 R CA 1.330 57.420 56.100 -0.017 0.000 0.988 341 R CB -1.703 28.585 30.300 -0.019 0.000 0.871 341 R HN 0.844 nan 8.270 nan 0.000 0.458 342 A N 0.943 123.754 122.820 -0.015 0.000 1.930 342 A HA -0.073 4.246 4.320 -0.000 0.000 0.215 342 A C 1.979 179.556 177.584 -0.013 0.000 1.176 342 A CA 0.794 52.821 52.037 -0.016 0.000 0.632 342 A CB -0.143 18.849 19.000 -0.014 0.000 0.819 342 A HN 0.278 nan 8.150 nan 0.000 0.445 343 E N -0.410 119.785 120.200 -0.008 0.000 2.106 343 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 343 E C 2.038 178.635 176.600 -0.005 0.000 0.984 343 E CA 0.731 57.129 56.400 -0.003 0.000 0.806 343 E CB -0.282 29.419 29.700 0.002 0.000 0.750 343 E HN 0.594 nan 8.360 nan 0.000 0.458 344 G N 0.309 109.104 108.800 -0.009 0.000 2.422 344 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 344 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 344 G C 1.622 176.513 174.900 -0.014 0.000 1.140 344 G CA 0.898 45.992 45.100 -0.012 0.000 0.775 344 G HN 0.252 nan 8.290 nan 0.000 0.545 345 S N 0.187 115.877 115.700 -0.017 0.000 2.395 345 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 345 S C 2.046 176.636 174.600 -0.016 0.000 1.027 345 S CA 1.627 59.815 58.200 -0.020 0.000 0.965 345 S CB -0.306 62.878 63.200 -0.026 0.000 0.812 345 S HN 0.406 nan 8.310 nan 0.000 0.482 346 D N 0.614 121.006 120.400 -0.013 0.000 2.117 346 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 346 D C 1.853 178.150 176.300 -0.005 0.000 0.987 346 D CA 1.491 55.485 54.000 -0.009 0.000 0.829 346 D CB -0.265 40.531 40.800 -0.007 0.000 0.961 346 D HN 0.300 nan 8.370 nan 0.000 0.460 347 V N 0.854 120.765 119.914 -0.004 0.000 2.343 347 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 347 V C 2.649 178.742 176.094 -0.002 0.000 1.051 347 V CA 1.685 63.984 62.300 -0.002 0.000 1.036 347 V CB -1.103 30.721 31.823 0.001 0.000 0.654 347 V HN 0.348 nan 8.190 nan 0.000 0.451 348 A N 0.642 123.459 122.820 -0.005 0.000 1.851 348 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 348 A C 2.124 179.711 177.584 0.004 0.000 1.195 348 A CA 2.267 54.301 52.037 -0.004 0.000 0.622 348 A CB -0.779 18.215 19.000 -0.010 0.000 0.831 348 A HN 0.588 nan 8.150 nan 0.000 0.444 349 N N 0.103 118.805 118.700 0.003 0.000 2.244 349 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 349 N C 1.929 177.448 175.510 0.015 0.000 1.016 349 N CA 1.335 54.393 53.050 0.013 0.000 0.866 349 N CB -0.435 38.054 38.487 0.004 0.000 0.980 349 N HN 0.493 nan 8.380 nan 0.000 0.430 350 A N 0.925 123.749 122.820 0.006 0.000 1.902 350 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 350 A C 2.542 180.128 177.584 0.003 0.000 1.181 350 A CA 1.272 53.310 52.037 0.001 0.000 0.623 350 A CB -0.759 18.237 19.000 -0.006 0.000 0.818 350 A HN 0.099 nan 8.150 nan 0.000 0.443 351 V N 0.032 119.950 119.914 0.007 0.000 2.343 351 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 351 V C 2.551 178.655 176.094 0.017 0.000 1.051 351 V CA 1.909 64.217 62.300 0.012 0.000 1.036 351 V CB -0.722 31.109 31.823 0.013 0.000 0.654 351 V HN 0.567 nan 8.190 nan 0.000 0.451 352 L N -0.274 120.964 121.223 0.025 0.000 2.131 352 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 352 L C 2.336 179.228 176.870 0.038 0.000 1.092 352 L CA 1.356 56.221 54.840 0.042 0.000 0.759 352 L CB -0.723 41.376 42.059 0.066 0.000 0.903 352 L HN 0.344 nan 8.230 nan 0.000 0.435 353 D N 0.149 120.564 120.400 0.025 0.000 2.182 353 D HA -0.123 4.517 4.640 -0.000 0.000 0.201 353 D C 1.649 177.946 176.300 -0.005 0.000 0.986 353 D CA 1.621 55.627 54.000 0.010 0.000 0.847 353 D CB 0.026 40.827 40.800 0.002 0.000 0.942 353 D HN 0.463 nan 8.370 nan 0.000 0.467 354 G N -0.751 108.048 108.800 -0.001 0.000 2.173 354 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.142 354 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.142 354 G C 0.292 175.188 174.900 -0.008 0.000 1.019 354 G CA 0.082 45.180 45.100 -0.003 0.000 0.699 354 G HN 0.532 nan 8.290 nan 0.000 0.495 355 A N 0.359 123.172 122.820 -0.012 0.000 2.524 355 A HA 0.517 4.836 4.320 -0.000 0.000 0.250 355 A C 1.127 178.706 177.584 -0.009 0.000 1.078 355 A CA 1.156 53.179 52.037 -0.023 0.000 0.761 355 A CB 0.072 19.055 19.000 -0.028 0.000 1.012 355 A HN 0.330 nan 8.150 nan 0.000 0.500 356 D N 0.817 121.204 120.400 -0.022 0.000 2.123 356 D HA -0.053 4.587 4.640 -0.000 0.000 0.196 356 D C 0.188 176.492 176.300 0.008 0.000 0.992 356 D CA 1.635 55.631 54.000 -0.007 0.000 0.833 356 D CB 0.009 40.771 40.800 -0.063 0.000 0.954 356 D HN 0.534 nan 8.370 nan 0.000 0.455 357 C N -0.110 119.179 119.300 -0.019 0.000 2.712 357 C HA 0.651 5.111 4.460 -0.000 0.000 0.308 357 C C -0.400 174.576 174.990 -0.024 0.000 1.201 357 C CA -1.164 57.849 59.018 -0.009 0.000 1.554 357 C CB 1.108 28.837 27.740 -0.018 0.000 2.117 357 C HN 0.201 nan 8.230 nan 0.000 0.480 358 I N 0.434 120.999 120.570 -0.008 0.000 2.846 358 I HA 0.806 4.975 4.170 -0.000 0.000 0.307 358 I C -0.728 175.383 176.117 -0.010 0.000 1.053 358 I CA -0.843 60.449 61.300 -0.014 0.000 1.050 358 I CB 1.704 39.705 38.000 0.001 0.000 1.239 358 I HN 0.626 nan 8.210 nan 0.000 0.439 359 M N 4.485 124.075 119.600 -0.016 0.000 2.518 359 M HA 0.615 5.095 4.480 -0.000 0.000 0.300 359 M C -2.073 174.232 176.300 0.010 0.000 1.175 359 M CA -0.635 54.660 55.300 -0.008 0.000 0.890 359 M CB 2.656 35.227 32.600 -0.048 0.000 1.710 359 M HN 0.618 nan 8.290 nan 0.000 0.453 360 L N 2.168 123.409 121.223 0.031 0.000 2.346 360 L HA 0.557 4.897 4.340 -0.000 0.000 0.276 360 L C -0.172 176.730 176.870 0.053 0.000 1.006 360 L CA -0.274 54.590 54.840 0.040 0.000 0.817 360 L CB 2.189 44.275 42.059 0.046 0.000 1.272 360 L HN 0.800 nan 8.230 nan 0.000 0.421 361 S N 0.982 116.713 115.700 0.050 0.000 3.200 361 S HA 0.170 4.640 4.470 -0.000 0.000 0.173 361 S C 1.599 176.234 174.600 0.059 0.000 0.768 361 S CA 0.389 58.626 58.200 0.062 0.000 1.018 361 S CB -0.218 63.014 63.200 0.054 0.000 0.769 361 S HN 0.879 nan 8.310 nan 0.000 0.736 362 G N 1.282 110.112 108.800 0.050 0.000 2.469 362 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 362 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 362 G C 1.062 175.988 174.900 0.044 0.000 1.136 362 G CA 1.419 46.544 45.100 0.042 0.000 0.759 362 G HN 0.532 nan 8.290 nan 0.000 0.562 363 E N -0.156 120.074 120.200 0.049 0.000 2.097 363 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 363 E C 2.828 179.463 176.600 0.059 0.000 1.000 363 E CA 2.008 58.443 56.400 0.058 0.000 0.804 363 E CB -0.221 29.513 29.700 0.058 0.000 0.740 363 E HN 0.640 nan 8.360 nan 0.000 0.454 364 T N -2.992 111.596 114.554 0.056 0.000 3.018 364 T HA 0.369 4.719 4.350 -0.000 0.000 0.246 364 T C 1.972 176.704 174.700 0.054 0.000 1.026 364 T CA 0.277 62.410 62.100 0.055 0.000 1.081 364 T CB 0.018 68.921 68.868 0.058 0.000 0.970 364 T HN 0.125 nan 8.240 nan 0.000 0.475 365 A N 2.597 125.452 122.820 0.059 0.000 1.835 365 A HA 0.073 4.393 4.320 -0.000 0.000 0.215 365 A C 2.183 179.792 177.584 0.042 0.000 1.199 365 A CA 1.570 53.645 52.037 0.063 0.000 0.615 365 A CB -0.388 18.655 19.000 0.071 0.000 0.838 365 A HN 0.523 nan 8.150 nan 0.000 0.444 366 K N -1.173 119.242 120.400 0.025 0.000 2.402 366 K HA 0.247 4.567 4.320 -0.000 0.000 0.203 366 K C 0.897 177.493 176.600 -0.007 0.000 1.077 366 K CA 0.318 56.609 56.287 0.005 0.000 1.051 366 K CB 0.760 33.256 32.500 -0.008 0.000 0.907 366 K HN 0.413 nan 8.250 nan 0.000 0.554 367 G N 0.772 109.574 108.800 0.003 0.000 2.594 367 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.243 367 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.243 367 G C -0.029 174.832 174.900 -0.065 0.000 1.229 367 G CA -0.342 44.753 45.100 -0.008 0.000 0.843 367 G HN -0.015 nan 8.290 nan 0.000 0.578 368 D N -0.570 119.740 120.400 -0.150 0.000 2.219 368 D HA -0.050 4.590 4.640 -0.000 0.000 0.205 368 D C 0.150 176.135 176.300 -0.525 0.000 0.970 368 D CA 1.359 55.115 54.000 -0.406 0.000 0.851 368 D CB 0.076 40.468 40.800 -0.681 0.000 0.943 368 D HN 0.413 nan 8.370 nan 0.000 0.488 369 Y N -0.552 119.756 120.300 0.014 0.000 2.495 369 Y HA 0.237 4.786 4.550 -0.000 0.000 0.362 369 Y C -1.660 174.250 175.900 0.018 0.000 0.956 369 Y CA -1.943 56.166 58.100 0.015 0.000 1.127 369 Y CB 1.198 39.666 38.460 0.014 0.000 1.173 369 Y HN -0.061 nan 8.280 nan 0.000 0.639 370 P HA -0.136 nan 4.420 nan 0.000 0.217 370 P C 1.480 178.830 177.300 0.083 0.000 1.151 370 P CA 1.313 64.463 63.100 0.083 0.000 0.828 370 P CB 0.655 32.386 31.700 0.051 0.000 0.788 371 L N -0.435 120.840 121.223 0.086 0.000 2.046 371 L HA -0.155 4.184 4.340 -0.000 0.000 0.208 371 L C 2.511 179.422 176.870 0.069 0.000 1.077 371 L CA 1.626 56.508 54.840 0.069 0.000 0.747 371 L CB -1.062 41.037 42.059 0.066 0.000 0.896 371 L HN -0.073 nan 8.230 nan 0.000 0.432 372 E N 0.157 120.413 120.200 0.093 0.000 2.204 372 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 372 E C 2.172 178.801 176.600 0.050 0.000 0.989 372 E CA 1.178 57.614 56.400 0.059 0.000 0.824 372 E CB -0.178 29.542 29.700 0.034 0.000 0.756 372 E HN 0.448 nan 8.360 nan 0.000 0.477 373 A N 0.057 122.919 122.820 0.070 0.000 1.975 373 A HA -0.038 4.281 4.320 -0.000 0.000 0.215 373 A C 2.309 179.926 177.584 0.055 0.000 1.170 373 A CA 0.699 52.772 52.037 0.059 0.000 0.656 373 A CB -0.220 18.823 19.000 0.072 0.000 0.821 373 A HN 0.139 nan 8.150 nan 0.000 0.449 374 V N 0.114 120.062 119.914 0.056 0.000 2.323 374 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 374 V C 2.552 178.688 176.094 0.071 0.000 1.041 374 V CA 2.059 64.390 62.300 0.053 0.000 1.025 374 V CB -0.838 31.006 31.823 0.035 0.000 0.656 374 V HN 0.503 nan 8.190 nan 0.000 0.451 375 R N -0.684 119.852 120.500 0.060 0.000 2.105 375 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 375 R C 2.261 178.628 176.300 0.113 0.000 1.135 375 R CA 1.948 58.096 56.100 0.079 0.000 0.967 375 R CB -0.461 29.868 30.300 0.048 0.000 0.861 375 R HN 0.385 nan 8.270 nan 0.000 0.442 376 M N 1.003 120.645 119.600 0.070 0.000 2.077 376 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 376 M C 1.935 178.268 176.300 0.055 0.000 1.070 376 M CA 1.765 57.095 55.300 0.050 0.000 1.125 376 M CB -0.271 32.345 32.600 0.026 0.000 1.339 376 M HN 0.031 nan 8.290 nan 0.000 0.409 377 Q N -1.481 118.356 119.800 0.062 0.000 2.135 377 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 377 Q C 2.113 178.160 176.000 0.077 0.000 0.981 377 Q CA 1.994 57.831 55.803 0.057 0.000 0.856 377 Q CB -0.418 28.352 28.738 0.055 0.000 0.902 377 Q HN 0.749 nan 8.270 nan 0.000 0.425 378 H N 0.327 119.408 119.070 0.019 0.000 2.321 378 H HA -0.095 4.461 4.556 -0.000 0.000 0.300 378 H C 1.809 177.151 175.328 0.023 0.000 1.087 378 H CA 1.648 57.711 56.048 0.025 0.000 1.319 378 H CB -0.158 29.620 29.762 0.028 0.000 1.379 378 H HN 0.130 nan 8.280 nan 0.000 0.501 379 L N -0.346 120.860 121.223 -0.028 0.000 2.056 379 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 379 L C 2.484 179.301 176.870 -0.090 0.000 1.078 379 L CA 1.236 56.024 54.840 -0.086 0.000 0.749 379 L CB -0.300 41.767 42.059 0.013 0.000 0.901 379 L HN 0.353 nan 8.230 nan 0.000 0.433 380 I N -0.306 120.236 120.570 -0.046 0.000 2.202 380 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 380 I C 2.856 178.945 176.117 -0.046 0.000 1.091 380 I CA 0.963 62.242 61.300 -0.036 0.000 1.368 380 I CB -0.575 37.416 38.000 -0.016 0.000 1.058 380 I HN 0.170 nan 8.210 nan 0.000 0.410 381 A N 1.453 124.243 122.820 -0.051 0.000 1.896 381 A HA -0.289 4.031 4.320 -0.000 0.000 0.220 381 A C 2.412 179.960 177.584 -0.061 0.000 1.206 381 A CA 2.137 54.146 52.037 -0.045 0.000 0.647 381 A CB -0.792 18.186 19.000 -0.036 0.000 0.828 381 A HN 0.374 nan 8.150 nan 0.000 0.455 382 R N -0.829 119.596 120.500 -0.125 0.000 2.096 382 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 382 R C 2.030 178.297 176.300 -0.055 0.000 1.127 382 R CA 1.217 57.253 56.100 -0.108 0.000 0.968 382 R CB -0.326 29.869 30.300 -0.175 0.000 0.861 382 R HN 0.581 nan 8.270 nan 0.000 0.440 383 E N 0.861 121.029 120.200 -0.054 0.000 2.072 383 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 383 E C 2.034 178.624 176.600 -0.016 0.000 0.985 383 E CA 1.311 57.690 56.400 -0.035 0.000 0.801 383 E CB -0.134 29.542 29.700 -0.039 0.000 0.750 383 E HN 0.326 nan 8.360 nan 0.000 0.452 384 A N 1.380 124.194 122.820 -0.011 0.000 1.897 384 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 384 A C 2.022 179.625 177.584 0.031 0.000 1.181 384 A CA 1.338 53.379 52.037 0.007 0.000 0.620 384 A CB -0.428 18.575 19.000 0.004 0.000 0.821 384 A HN 0.167 nan 8.150 nan 0.000 0.443 385 E N -0.034 120.188 120.200 0.036 0.000 2.118 385 E HA -0.150 4.199 4.350 -0.000 0.000 0.195 385 E C 2.209 178.902 176.600 0.155 0.000 0.992 385 E CA 1.156 57.605 56.400 0.083 0.000 0.804 385 E CB -0.285 29.459 29.700 0.074 0.000 0.741 385 E HN 0.633 nan 8.360 nan 0.000 0.458 386 A N 1.078 123.961 122.820 0.106 0.000 1.930 386 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 386 A C 2.307 179.975 177.584 0.139 0.000 1.175 386 A CA 1.483 53.594 52.037 0.124 0.000 0.627 386 A CB -0.465 18.561 19.000 0.043 0.000 0.815 386 A HN 0.286 nan 8.150 nan 0.000 0.443 387 A N -1.056 121.812 122.820 0.081 0.000 2.167 387 A HA 0.308 4.628 4.320 -0.000 0.000 0.214 387 A C 1.175 178.875 177.584 0.194 0.000 1.151 387 A CA 0.122 52.202 52.037 0.072 0.000 0.735 387 A CB -0.545 18.456 19.000 0.003 0.000 0.802 387 A HN 0.552 nan 8.150 nan 0.000 0.467 388 M N -0.961 118.697 119.600 0.098 0.000 2.246 388 M HA -0.001 4.479 4.480 -0.000 0.000 0.327 388 M C 0.135 176.439 176.300 0.007 0.000 1.090 388 M CA 0.641 55.923 55.300 -0.031 0.000 1.087 388 M CB 0.048 32.435 32.600 -0.355 0.000 1.587 388 M HN 0.416 nan 8.290 nan 0.000 0.444 389 F N 3.728 123.520 119.950 -0.263 0.000 2.752 389 F HA 0.092 4.619 4.527 -0.000 0.000 0.332 389 F C 1.321 177.008 175.800 -0.189 0.000 1.188 389 F CA -0.657 57.103 58.000 -0.401 0.000 1.296 389 F CB -0.220 38.516 39.000 -0.440 0.000 1.526 389 F HN 0.667 nan 8.300 nan 0.000 0.576 390 H N 0.369 119.527 119.070 0.146 0.000 2.272 390 H HA -0.297 4.259 4.556 -0.000 0.000 0.289 390 H C 2.415 177.666 175.328 -0.128 0.000 1.100 390 H CA 1.863 57.910 56.048 -0.002 0.000 1.209 390 H CB -0.187 29.475 29.762 -0.168 0.000 1.348 390 H HN 0.455 nan 8.280 nan 0.000 0.481 391 R N 1.205 121.654 120.500 -0.085 0.000 2.096 391 R HA -0.142 4.198 4.340 -0.000 0.000 0.240 391 R C 2.262 178.451 176.300 -0.184 0.000 1.139 391 R CA 1.246 57.247 56.100 -0.165 0.000 0.952 391 R CB -0.058 30.183 30.300 -0.099 0.000 0.854 391 R HN 0.187 nan 8.270 nan 0.000 0.436 392 K N 0.706 120.786 120.400 -0.533 0.000 2.026 392 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 392 K C 2.111 178.584 176.600 -0.213 0.000 1.048 392 K CA 0.811 56.770 56.287 -0.547 0.000 0.929 392 K CB -0.771 31.083 32.500 -1.075 0.000 0.713 392 K HN 0.127 nan 8.250 nan 0.000 0.439 393 L N 0.581 121.733 121.223 -0.119 0.000 1.989 393 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 393 L C 2.271 179.214 176.870 0.121 0.000 1.071 393 L CA 1.614 56.456 54.840 0.004 0.000 0.749 393 L CB -0.833 41.248 42.059 0.036 0.000 0.890 393 L HN 0.132 nan 8.230 nan 0.000 0.431 394 F N 0.565 120.581 119.950 0.111 0.000 2.126 394 F HA -0.254 4.273 4.527 -0.000 0.000 0.299 394 F C 2.371 178.257 175.800 0.144 0.000 1.096 394 F CA 2.106 60.243 58.000 0.228 0.000 1.255 394 F CB -0.249 38.998 39.000 0.410 0.000 0.997 394 F HN 0.254 nan 8.300 nan 0.000 0.479 395 E N -0.208 120.075 120.200 0.138 0.000 2.110 395 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 395 E C 2.086 178.642 176.600 -0.073 0.000 0.988 395 E CA 1.703 58.105 56.400 0.004 0.000 0.804 395 E CB -0.160 29.542 29.700 0.003 0.000 0.745 395 E HN 0.609 nan 8.360 nan 0.000 0.458 396 E N 0.192 120.354 120.200 -0.064 0.000 2.122 396 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 396 E C 2.194 178.755 176.600 -0.064 0.000 0.977 396 E CA 0.283 56.641 56.400 -0.070 0.000 0.820 396 E CB 0.098 29.750 29.700 -0.081 0.000 0.770 396 E HN 0.196 nan 8.360 nan 0.000 0.462 397 L N 0.915 122.103 121.223 -0.058 0.000 2.017 397 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 397 L C 2.608 179.476 176.870 -0.003 0.000 1.073 397 L CA 1.177 55.986 54.840 -0.052 0.000 0.745 397 L CB -0.454 41.569 42.059 -0.060 0.000 0.894 397 L HN 0.139 nan 8.230 nan 0.000 0.432 398 A N -0.023 122.743 122.820 -0.089 0.000 1.972 398 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 398 A C 2.328 179.865 177.584 -0.078 0.000 1.169 398 A CA 1.869 53.824 52.037 -0.136 0.000 0.635 398 A CB -0.455 18.293 19.000 -0.419 0.000 0.810 398 A HN 0.319 nan 8.150 nan 0.000 0.446 399 R N 0.185 120.642 120.500 -0.072 0.000 2.073 399 R HA 0.117 4.457 4.340 -0.000 0.000 0.229 399 R C 1.952 178.232 176.300 -0.033 0.000 1.120 399 R CA 1.737 57.807 56.100 -0.049 0.000 0.967 399 R CB -0.833 29.438 30.300 -0.049 0.000 0.862 399 R HN 0.319 nan 8.270 nan 0.000 0.436 400 A N -0.365 122.436 122.820 -0.031 0.000 2.168 400 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 400 A C 1.654 179.231 177.584 -0.011 0.000 1.152 400 A CA 1.283 53.306 52.037 -0.024 0.000 0.716 400 A CB -0.382 18.599 19.000 -0.033 0.000 0.794 400 A HN 0.511 nan 8.150 nan 0.000 0.465 401 S N -1.053 114.651 115.700 0.006 0.000 2.629 401 S HA 0.046 4.516 4.470 -0.000 0.000 0.236 401 S C 1.388 175.998 174.600 0.017 0.000 1.010 401 S CA 0.648 58.864 58.200 0.028 0.000 0.981 401 S CB -0.469 62.788 63.200 0.094 0.000 0.919 401 S HN 0.631 nan 8.310 nan 0.000 0.514 402 S N 2.112 117.810 115.700 -0.003 0.000 2.469 402 S HA -0.178 4.292 4.470 -0.000 0.000 0.238 402 S C 1.995 176.588 174.600 -0.012 0.000 0.998 402 S CA 0.832 59.023 58.200 -0.015 0.000 0.957 402 S CB -0.553 62.633 63.200 -0.023 0.000 0.764 402 S HN 0.725 nan 8.310 nan 0.000 0.514 403 Q N 2.151 121.946 119.800 -0.008 0.000 2.230 403 Q HA 0.086 4.425 4.340 -0.000 0.000 0.202 403 Q C 0.878 176.873 176.000 -0.008 0.000 0.963 403 Q CA 1.087 56.885 55.803 -0.008 0.000 0.866 403 Q CB -0.779 27.954 28.738 -0.007 0.000 0.931 403 Q HN 0.490 nan 8.270 nan 0.000 0.452 404 S N 1.444 117.142 115.700 -0.002 0.000 2.505 404 S HA 0.206 4.676 4.470 -0.000 0.000 0.276 404 S C 0.445 175.038 174.600 -0.012 0.000 1.274 404 S CA 0.074 58.273 58.200 -0.003 0.000 1.053 404 S CB 0.752 63.959 63.200 0.012 0.000 0.919 404 S HN 0.449 nan 8.310 nan 0.000 0.490 405 T N 1.172 115.713 114.554 -0.021 0.000 3.243 405 T HA 0.227 4.577 4.350 -0.000 0.000 0.264 405 T C -0.036 174.636 174.700 -0.046 0.000 1.000 405 T CA -0.579 61.503 62.100 -0.030 0.000 0.901 405 T CB -0.505 68.348 68.868 -0.026 0.000 1.083 405 T HN 0.655 nan 8.240 nan 0.000 0.559 406 D N 1.000 121.369 120.400 -0.051 0.000 2.425 406 D HA 0.141 4.781 4.640 -0.000 0.000 0.247 406 D C 1.363 177.586 176.300 -0.128 0.000 1.147 406 D CA -0.321 53.625 54.000 -0.090 0.000 0.879 406 D CB 0.607 41.365 40.800 -0.070 0.000 1.179 406 D HN 0.179 nan 8.370 nan 0.000 0.456 407 L N 3.218 124.310 121.223 -0.219 0.000 2.093 407 L HA -0.128 4.211 4.340 -0.000 0.000 0.208 407 L C 2.217 178.919 176.870 -0.280 0.000 1.085 407 L CA 0.661 55.351 54.840 -0.249 0.000 0.755 407 L CB -0.494 41.372 42.059 -0.321 0.000 0.904 407 L HN 0.607 nan 8.230 nan 0.000 0.435 408 M N 0.317 119.649 119.600 -0.446 0.000 2.175 408 M HA -0.160 4.319 4.480 -0.000 0.000 0.264 408 M C 2.060 178.348 176.300 -0.020 0.000 1.063 408 M CA 1.695 56.882 55.300 -0.188 0.000 1.119 408 M CB -0.359 32.139 32.600 -0.170 0.000 1.377 408 M HN 0.116 nan 8.290 nan 0.000 0.415 409 E N -0.370 119.815 120.200 -0.024 0.000 2.118 409 E HA -0.189 4.160 4.350 -0.000 0.000 0.195 409 E C 1.946 178.495 176.600 -0.086 0.000 0.992 409 E CA 1.263 57.682 56.400 0.031 0.000 0.804 409 E CB -0.285 29.454 29.700 0.065 0.000 0.741 409 E HN 0.656 nan 8.360 nan 0.000 0.458 410 A N 1.406 124.185 122.820 -0.068 0.000 1.855 410 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 410 A C 2.165 179.738 177.584 -0.018 0.000 1.191 410 A CA 1.159 53.159 52.037 -0.061 0.000 0.613 410 A CB -0.348 18.631 19.000 -0.034 0.000 0.829 410 A HN 0.097 nan 8.150 nan 0.000 0.442 411 M N -0.026 119.600 119.600 0.043 0.000 2.108 411 M HA -0.244 4.236 4.480 -0.000 0.000 0.257 411 M C 2.397 178.725 176.300 0.047 0.000 1.071 411 M CA 1.880 57.229 55.300 0.081 0.000 1.093 411 M CB -1.602 31.109 32.600 0.184 0.000 1.345 411 M HN 0.521 nan 8.290 nan 0.000 0.403 412 A N -0.625 122.218 122.820 0.039 0.000 1.897 412 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 412 A C 2.232 179.817 177.584 0.001 0.000 1.181 412 A CA 1.297 53.368 52.037 0.057 0.000 0.620 412 A CB -0.461 18.624 19.000 0.143 0.000 0.821 412 A HN 0.467 nan 8.150 nan 0.000 0.443 413 M N -0.456 119.071 119.600 -0.122 0.000 2.175 413 M HA -0.036 4.444 4.480 -0.000 0.000 0.264 413 M C 2.276 178.608 176.300 0.054 0.000 1.063 413 M CA 1.210 56.490 55.300 -0.034 0.000 1.119 413 M CB -0.476 31.983 32.600 -0.235 0.000 1.377 413 M HN 0.510 nan 8.290 nan 0.000 0.415 414 G N -0.112 108.686 108.800 -0.003 0.000 2.545 414 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 414 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 414 G C 1.542 176.406 174.900 -0.061 0.000 1.218 414 G CA 1.361 46.451 45.100 -0.017 0.000 0.787 414 G HN 0.459 nan 8.290 nan 0.000 0.571 415 S N 0.149 115.821 115.700 -0.047 0.000 2.359 415 S HA -0.156 4.313 4.470 -0.000 0.000 0.224 415 S C 2.494 176.996 174.600 -0.164 0.000 1.035 415 S CA 1.397 59.556 58.200 -0.068 0.000 1.018 415 S CB -0.532 62.656 63.200 -0.019 0.000 0.876 415 S HN 0.193 nan 8.310 nan 0.000 0.448 416 V N 1.982 121.768 119.914 -0.213 0.000 2.233 416 V HA -0.217 3.902 4.120 -0.000 0.000 0.247 416 V C 2.600 178.194 176.094 -0.834 0.000 1.050 416 V CA 2.257 64.257 62.300 -0.499 0.000 1.010 416 V CB -0.869 30.727 31.823 -0.379 0.000 0.637 416 V HN 0.439 nan 8.190 nan 0.000 0.444 417 E N 0.898 120.679 120.200 -0.699 0.000 2.086 417 E HA -0.275 4.075 4.350 -0.000 0.000 0.200 417 E C 2.046 178.496 176.600 -0.251 0.000 1.012 417 E CA 2.143 58.239 56.400 -0.507 0.000 0.812 417 E CB -0.585 28.974 29.700 -0.235 0.000 0.743 417 E HN 0.535 nan 8.360 nan 0.000 0.453 418 A N 0.043 122.750 122.820 -0.189 0.000 1.930 418 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 418 A C 2.387 179.913 177.584 -0.096 0.000 1.175 418 A CA 2.136 54.112 52.037 -0.102 0.000 0.627 418 A CB -0.923 18.034 19.000 -0.072 0.000 0.815 418 A HN 0.455 nan 8.150 nan 0.000 0.443 419 S N -1.376 114.226 115.700 -0.163 0.000 2.383 419 S HA -0.170 4.300 4.470 -0.000 0.000 0.227 419 S C 1.888 176.469 174.600 -0.032 0.000 1.026 419 S CA 1.322 59.451 58.200 -0.119 0.000 0.981 419 S CB -0.733 62.366 63.200 -0.169 0.000 0.818 419 S HN 0.486 nan 8.310 nan 0.000 0.472 420 Y N 2.235 122.460 120.300 -0.126 0.000 2.181 420 Y HA 0.112 4.662 4.550 -0.000 0.000 0.288 420 Y C 2.652 178.505 175.900 -0.079 0.000 1.146 420 Y CA 1.012 59.036 58.100 -0.125 0.000 1.164 420 Y CB -0.922 37.430 38.460 -0.179 0.000 0.982 420 Y HN 0.285 nan 8.280 nan 0.000 0.515 421 K N 0.707 121.165 120.400 0.096 0.000 2.025 421 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 421 K C 1.853 178.472 176.600 0.032 0.000 1.049 421 K CA 1.640 57.956 56.287 0.049 0.000 0.933 421 K CB -0.693 31.822 32.500 0.025 0.000 0.714 421 K HN 0.417 nan 8.250 nan 0.000 0.438 422 C N 0.623 119.934 119.300 0.018 0.000 2.559 422 C HA 0.460 4.919 4.460 -0.000 0.000 0.300 422 C C 0.489 175.488 174.990 0.016 0.000 1.288 422 C CA -0.895 58.129 59.018 0.010 0.000 1.699 422 C CB -1.757 25.980 27.740 -0.005 0.000 1.819 422 C HN 0.464 nan 8.230 nan 0.000 0.600 423 L N 0.538 121.779 121.223 0.030 0.000 3.954 423 L HA -0.251 4.089 4.340 -0.000 0.000 0.462 423 L C 1.153 178.037 176.870 0.023 0.000 1.195 423 L CA 0.436 55.297 54.840 0.034 0.000 0.739 423 L CB -2.212 39.871 42.059 0.040 0.000 1.599 423 L HN 0.709 nan 8.230 nan 0.000 0.838 424 A N 0.209 123.034 122.820 0.008 0.000 2.498 424 A HA 0.493 4.813 4.320 -0.000 0.000 0.239 424 A C 1.402 178.999 177.584 0.020 0.000 1.068 424 A CA 0.585 52.620 52.037 -0.004 0.000 0.766 424 A CB 0.713 19.698 19.000 -0.026 0.000 1.003 424 A HN 0.676 nan 8.150 nan 0.000 0.497 425 A N 1.554 124.397 122.820 0.038 0.000 2.119 425 A HA 0.511 4.831 4.320 -0.000 0.000 0.216 425 A C 1.059 178.758 177.584 0.191 0.000 1.152 425 A CA 1.541 53.658 52.037 0.134 0.000 0.708 425 A CB -0.364 18.773 19.000 0.228 0.000 0.805 425 A HN 2.371 nan 8.150 nan 0.000 0.460 426 A N -1.667 121.225 122.820 0.119 0.000 2.586 426 A HA 0.612 4.931 4.320 -0.000 0.000 0.291 426 A C -1.856 175.768 177.584 0.066 0.000 1.062 426 A CA -0.587 51.540 52.037 0.149 0.000 0.666 426 A CB 0.378 19.621 19.000 0.406 0.000 1.281 426 A HN 0.301 nan 8.150 nan 0.000 0.421 427 L N 1.122 122.389 121.223 0.074 0.000 2.325 427 L HA 0.610 4.950 4.340 -0.000 0.000 0.281 427 L C -0.670 176.252 176.870 0.087 0.000 1.004 427 L CA 0.016 54.887 54.840 0.052 0.000 0.823 427 L CB 1.567 43.644 42.059 0.031 0.000 1.236 427 L HN 0.578 nan 8.230 nan 0.000 0.415 428 I N 3.874 124.487 120.570 0.071 0.000 2.321 428 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 428 I C -0.598 175.553 176.117 0.058 0.000 0.998 428 I CA -0.657 60.693 61.300 0.084 0.000 1.227 428 I CB 1.484 39.527 38.000 0.073 0.000 1.368 428 I HN 0.221 nan 8.210 nan 0.000 0.466 429 V N 7.247 127.198 119.914 0.062 0.000 2.604 429 V HA 0.410 4.530 4.120 -0.000 0.000 0.305 429 V C -0.380 175.733 176.094 0.030 0.000 1.043 429 V CA -0.725 61.602 62.300 0.045 0.000 0.888 429 V CB 2.098 33.948 31.823 0.045 0.000 0.995 429 V HN 0.354 nan 8.190 nan 0.000 0.429 430 L N 3.664 124.902 121.223 0.024 0.000 2.282 430 L HA 0.788 5.128 4.340 -0.000 0.000 0.288 430 L C 0.149 177.035 176.870 0.026 0.000 1.033 430 L CA 0.671 55.518 54.840 0.011 0.000 0.807 430 L CB 1.551 43.603 42.059 -0.011 0.000 1.209 430 L HN 0.856 nan 8.230 nan 0.000 0.423 431 T N 1.587 116.148 114.554 0.012 0.000 2.932 431 T HA 0.395 4.744 4.350 -0.000 0.000 0.318 431 T C 0.171 174.874 174.700 0.004 0.000 1.265 431 T CA -0.377 61.724 62.100 0.002 0.000 1.036 431 T CB 1.191 70.024 68.868 -0.058 0.000 1.209 431 T HN 0.602 nan 8.240 nan 0.000 0.484 432 E N 1.186 121.396 120.200 0.018 0.000 2.330 432 E HA 0.085 4.435 4.350 -0.000 0.000 0.200 432 E C 2.012 178.615 176.600 0.004 0.000 0.922 432 E CA 0.918 57.333 56.400 0.024 0.000 0.935 432 E CB 0.207 29.939 29.700 0.053 0.000 0.917 432 E HN 0.648 nan 8.360 nan 0.000 0.491 433 S N -0.937 114.753 115.700 -0.016 0.000 2.503 433 S HA 0.227 4.697 4.470 -0.000 0.000 0.217 433 S C 1.687 176.209 174.600 -0.129 0.000 0.999 433 S CA 0.965 59.147 58.200 -0.030 0.000 0.914 433 S CB 0.603 63.798 63.200 -0.009 0.000 0.782 433 S HN 0.269 nan 8.310 nan 0.000 0.520 434 G N 2.125 110.780 108.800 -0.243 0.000 2.317 434 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.227 434 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.227 434 G C 1.104 175.473 174.900 -0.884 0.000 1.042 434 G CA 0.264 44.982 45.100 -0.636 0.000 0.623 434 G HN 0.442 nan 8.290 nan 0.000 0.509 435 R N 0.959 121.174 120.500 -0.474 0.000 2.140 435 R HA -0.150 4.190 4.340 -0.000 0.000 0.250 435 R C 2.824 179.047 176.300 -0.127 0.000 1.150 435 R CA 2.228 58.194 56.100 -0.224 0.000 0.966 435 R CB -0.472 29.804 30.300 -0.039 0.000 0.869 435 R HN 0.525 nan 8.270 nan 0.000 0.445 436 S N 0.366 116.016 115.700 -0.083 0.000 2.344 436 S HA -0.149 4.321 4.470 -0.000 0.000 0.217 436 S C 2.115 176.709 174.600 -0.009 0.000 1.033 436 S CA 1.193 59.402 58.200 0.015 0.000 1.017 436 S CB -0.398 62.840 63.200 0.063 0.000 0.941 436 S HN 0.522 nan 8.310 nan 0.000 0.430 437 A N 1.683 124.456 122.820 -0.078 0.000 1.917 437 A HA -0.234 4.085 4.320 -0.000 0.000 0.219 437 A C 1.755 179.330 177.584 -0.016 0.000 1.182 437 A CA 1.975 53.987 52.037 -0.042 0.000 0.633 437 A CB -1.217 17.740 19.000 -0.071 0.000 0.819 437 A HN 0.715 nan 8.150 nan 0.000 0.448 438 H N -1.244 117.691 119.070 -0.224 0.000 2.319 438 H HA -0.149 4.407 4.556 -0.000 0.000 0.299 438 H C 2.275 177.562 175.328 -0.069 0.000 1.092 438 H CA 1.141 56.962 56.048 -0.379 0.000 1.302 438 H CB 0.048 29.498 29.762 -0.520 0.000 1.373 438 H HN 0.415 nan 8.280 nan 0.000 0.497 439 Q N 0.542 120.420 119.800 0.131 0.000 2.226 439 Q HA -0.087 4.253 4.340 -0.000 0.000 0.204 439 Q C 2.604 178.746 176.000 0.236 0.000 0.975 439 Q CA 0.662 56.570 55.803 0.176 0.000 0.866 439 Q CB -0.173 28.658 28.738 0.155 0.000 0.915 439 Q HN 0.372 nan 8.270 nan 0.000 0.440 440 V N 0.757 120.776 119.914 0.174 0.000 2.379 440 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 440 V C 2.336 178.549 176.094 0.198 0.000 1.044 440 V CA 1.581 63.990 62.300 0.182 0.000 1.036 440 V CB -1.025 30.868 31.823 0.115 0.000 0.664 440 V HN 0.284 nan 8.190 nan 0.000 0.453 441 A N 0.406 123.327 122.820 0.169 0.000 1.902 441 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 441 A C 2.389 180.072 177.584 0.166 0.000 1.181 441 A CA 1.998 54.144 52.037 0.182 0.000 0.623 441 A CB -0.635 18.494 19.000 0.216 0.000 0.818 441 A HN 0.489 nan 8.150 nan 0.000 0.443 442 R N -1.600 118.975 120.500 0.124 0.000 2.140 442 R HA -0.236 4.104 4.340 -0.000 0.000 0.250 442 R C 1.158 177.359 176.300 -0.164 0.000 1.150 442 R CA 2.291 58.361 56.100 -0.050 0.000 0.966 442 R CB -0.453 29.756 30.300 -0.151 0.000 0.869 442 R HN 0.566 nan 8.270 nan 0.000 0.445 443 Y N 0.628 121.024 120.300 0.160 0.000 2.462 443 Y HA 0.220 4.769 4.550 -0.000 0.000 0.293 443 Y C 0.102 176.192 175.900 0.316 0.000 1.195 443 Y CA -0.058 58.179 58.100 0.228 0.000 1.276 443 Y CB 0.408 39.030 38.460 0.269 0.000 1.082 443 Y HN 0.010 nan 8.280 nan 0.000 0.514 444 R N -0.639 120.048 120.500 0.312 0.000 3.209 444 R HA -0.145 4.194 4.340 -0.000 0.000 0.252 444 R C -2.966 173.586 176.300 0.421 0.000 0.958 444 R CA 0.163 56.459 56.100 0.326 0.000 0.651 444 R CB -2.223 28.256 30.300 0.300 0.000 1.142 444 R HN 0.291 nan 8.270 nan 0.000 0.441 445 P HA 0.022 nan 4.420 nan 0.000 0.272 445 P C 0.719 178.159 177.300 0.233 0.000 1.230 445 P CA -0.223 62.968 63.100 0.150 0.000 0.788 445 P CB 0.400 32.094 31.700 -0.011 0.000 0.949 446 R N 1.123 121.675 120.500 0.086 0.000 2.127 446 R HA 0.223 4.563 4.340 -0.000 0.000 0.217 446 R C 0.981 177.288 176.300 0.011 0.000 1.074 446 R CA 0.212 56.304 56.100 -0.012 0.000 0.991 446 R CB -0.862 29.211 30.300 -0.378 0.000 0.895 446 R HN 0.412 nan 8.270 nan 0.000 0.450 447 A N 3.481 126.297 122.820 -0.005 0.000 2.445 447 A HA 0.298 4.617 4.320 -0.000 0.000 0.242 447 A C -2.096 175.474 177.584 -0.023 0.000 1.075 447 A CA -1.605 50.420 52.037 -0.020 0.000 0.777 447 A CB -0.123 18.876 19.000 -0.002 0.000 1.013 447 A HN 0.195 nan 8.150 nan 0.000 0.493 448 P HA 0.101 nan 4.420 nan 0.000 0.266 448 P C -0.713 176.604 177.300 0.029 0.000 1.195 448 P CA 0.517 63.551 63.100 -0.110 0.000 0.768 448 P CB 0.331 31.787 31.700 -0.406 0.000 0.838 449 I N 3.922 124.548 120.570 0.094 0.000 2.313 449 I HA 0.175 4.345 4.170 -0.000 0.000 0.286 449 I C 0.583 176.817 176.117 0.195 0.000 1.091 449 I CA -0.743 60.635 61.300 0.130 0.000 1.216 449 I CB 0.191 38.264 38.000 0.123 0.000 1.434 449 I HN 0.068 nan 8.210 nan 0.000 0.487 450 I N 5.207 125.909 120.570 0.219 0.000 2.483 450 I HA 0.165 4.335 4.170 -0.000 0.000 0.291 450 I C 0.894 177.120 176.117 0.182 0.000 1.112 450 I CA 0.237 61.706 61.300 0.282 0.000 1.350 450 I CB 0.178 38.362 38.000 0.306 0.000 1.419 450 I HN 0.482 nan 8.210 nan 0.000 0.523 451 A N 7.666 130.576 122.820 0.149 0.000 2.249 451 A HA 0.597 4.917 4.320 -0.000 0.000 0.314 451 A C -0.195 177.419 177.584 0.050 0.000 1.290 451 A CA -0.510 51.571 52.037 0.072 0.000 0.893 451 A CB 0.683 19.702 19.000 0.032 0.000 1.165 451 A HN 0.444 nan 8.150 nan 0.000 0.530 452 V N 2.660 122.598 119.914 0.039 0.000 2.383 452 V HA 0.656 4.776 4.120 -0.000 0.000 0.275 452 V C 0.516 176.608 176.094 -0.002 0.000 1.036 452 V CA -0.091 62.221 62.300 0.019 0.000 0.889 452 V CB 0.963 32.796 31.823 0.017 0.000 0.985 452 V HN 0.937 nan 8.190 nan 0.000 0.459 453 T N 4.167 118.715 114.554 -0.011 0.000 2.900 453 T HA 0.433 4.783 4.350 -0.000 0.000 0.303 453 T C 0.477 175.171 174.700 -0.011 0.000 1.142 453 T CA -0.624 61.471 62.100 -0.008 0.000 1.007 453 T CB 1.843 70.705 68.868 -0.011 0.000 1.156 453 T HN 0.650 nan 8.240 nan 0.000 0.490 454 R N 1.556 122.067 120.500 0.017 0.000 2.334 454 R HA 0.215 4.555 4.340 -0.000 0.000 0.216 454 R C 0.366 176.733 176.300 0.112 0.000 0.905 454 R CA -0.194 55.932 56.100 0.044 0.000 1.064 454 R CB 0.233 30.565 30.300 0.053 0.000 1.046 454 R HN 0.373 nan 8.270 nan 0.000 0.508 455 N N 0.721 119.476 118.700 0.091 0.000 2.420 455 N HA -0.010 4.730 4.740 -0.000 0.000 0.249 455 N C 0.281 175.884 175.510 0.155 0.000 1.033 455 N CA 0.117 53.248 53.050 0.136 0.000 0.944 455 N CB 0.779 39.314 38.487 0.080 0.000 1.113 455 N HN 0.073 nan 8.380 nan 0.000 0.502 456 H N 1.804 120.891 119.070 0.029 0.000 2.352 456 H HA -0.119 4.436 4.556 -0.000 0.000 0.299 456 H C 1.618 176.973 175.328 0.045 0.000 1.097 456 H CA 1.747 57.821 56.048 0.044 0.000 1.311 456 H CB 0.235 30.024 29.762 0.046 0.000 1.377 456 H HN 0.657 nan 8.280 nan 0.000 0.504 457 Q N -0.080 119.826 119.800 0.176 0.000 2.079 457 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 457 Q C 1.826 177.883 176.000 0.095 0.000 0.974 457 Q CA 1.725 57.596 55.803 0.113 0.000 0.840 457 Q CB 0.077 28.865 28.738 0.083 0.000 0.898 457 Q HN 0.431 nan 8.270 nan 0.000 0.430 458 T N 0.822 115.427 114.554 0.084 0.000 2.665 458 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 458 T C 1.767 176.492 174.700 0.041 0.000 1.035 458 T CA 1.504 63.643 62.100 0.065 0.000 1.151 458 T CB -0.438 68.450 68.868 0.033 0.000 0.862 458 T HN 0.488 nan 8.240 nan 0.000 0.438 459 A N 1.563 124.391 122.820 0.014 0.000 1.908 459 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 459 A C 2.386 179.915 177.584 -0.092 0.000 1.181 459 A CA 1.661 53.667 52.037 -0.051 0.000 0.627 459 A CB -0.498 18.469 19.000 -0.054 0.000 0.818 459 A HN 0.436 nan 8.150 nan 0.000 0.445 460 R N -0.935 119.570 120.500 0.009 0.000 2.073 460 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 460 R C 2.348 178.702 176.300 0.090 0.000 1.120 460 R CA 1.467 57.603 56.100 0.061 0.000 0.967 460 R CB -0.274 30.095 30.300 0.115 0.000 0.862 460 R HN 0.669 nan 8.270 nan 0.000 0.436 461 Q N -0.071 119.791 119.800 0.104 0.000 2.369 461 Q HA 0.013 4.353 4.340 -0.000 0.000 0.206 461 Q C 1.876 178.010 176.000 0.223 0.000 0.963 461 Q CA 0.886 56.786 55.803 0.162 0.000 0.894 461 Q CB 0.139 28.981 28.738 0.174 0.000 0.965 461 Q HN 0.318 nan 8.270 nan 0.000 0.475 462 A N 0.443 123.346 122.820 0.139 0.000 2.125 462 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 462 A C 1.366 179.057 177.584 0.179 0.000 1.156 462 A CA 0.994 53.134 52.037 0.172 0.000 0.671 462 A CB -0.466 18.539 19.000 0.009 0.000 0.794 462 A HN 0.352 nan 8.150 nan 0.000 0.459 463 H N -0.398 118.771 119.070 0.166 0.000 2.491 463 H HA 0.018 4.574 4.556 -0.000 0.000 0.290 463 H C 1.712 177.108 175.328 0.114 0.000 1.050 463 H CA 1.088 57.205 56.048 0.116 0.000 1.309 463 H CB -0.153 29.648 29.762 0.064 0.000 1.392 463 H HN 0.459 nan 8.280 nan 0.000 0.554 464 L N -0.131 121.222 121.223 0.218 0.000 2.456 464 L HA -0.103 4.237 4.340 -0.000 0.000 0.224 464 L C 0.037 176.805 176.870 -0.170 0.000 1.148 464 L CA 0.573 55.408 54.840 -0.009 0.000 0.825 464 L CB -0.118 41.854 42.059 -0.145 0.000 0.937 464 L HN 0.126 nan 8.230 nan 0.000 0.450 465 Y N -1.038 119.284 120.300 0.036 0.000 2.360 465 Y HA 0.416 4.966 4.550 -0.000 0.000 0.337 465 Y C 0.571 176.515 175.900 0.073 0.000 1.039 465 Y CA -1.287 56.828 58.100 0.026 0.000 1.109 465 Y CB 0.886 39.353 38.460 0.012 0.000 1.201 465 Y HN -0.155 nan 8.280 nan 0.000 0.458 466 R N 1.270 121.889 120.500 0.199 0.000 2.538 466 R HA 0.266 4.606 4.340 -0.000 0.000 0.282 466 R C 1.162 177.576 176.300 0.191 0.000 1.009 466 R CA 1.225 57.424 56.100 0.165 0.000 1.063 466 R CB -0.393 29.984 30.300 0.129 0.000 0.945 466 R HN 0.962 nan 8.270 nan 0.000 0.414 467 G N 3.836 112.740 108.800 0.173 0.000 2.245 467 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 467 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 467 G C 0.271 175.283 174.900 0.188 0.000 0.985 467 G CA 0.377 45.572 45.100 0.159 0.000 0.625 467 G HN 0.580 nan 8.290 nan 0.000 0.536 468 I N 0.893 121.589 120.570 0.211 0.000 2.363 468 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 468 I C 0.000 176.252 176.117 0.224 0.000 1.075 468 I CA -0.304 61.113 61.300 0.195 0.000 1.333 468 I CB 0.411 38.508 38.000 0.161 0.000 1.415 468 I HN 0.096 nan 8.210 nan 0.000 0.502 469 F N 10.262 130.266 119.950 0.089 0.000 2.329 469 F HA 0.404 4.931 4.527 -0.000 0.000 0.362 469 F C -2.041 173.800 175.800 0.068 0.000 1.113 469 F CA -2.466 55.601 58.000 0.112 0.000 1.212 469 F CB 0.675 39.783 39.000 0.180 0.000 1.509 469 F HN 0.276 nan 8.300 nan 0.000 0.546 470 P HA 0.155 nan 4.420 nan 0.000 0.275 470 P C -1.133 176.072 177.300 -0.158 0.000 1.227 470 P CA -0.032 62.971 63.100 -0.161 0.000 0.781 470 P CB 2.122 33.659 31.700 -0.271 0.000 0.906 471 V N 4.012 123.904 119.914 -0.037 0.000 2.525 471 V HA 0.138 4.258 4.120 -0.000 0.000 0.299 471 V C 0.176 176.265 176.094 -0.008 0.000 1.034 471 V CA -0.870 61.434 62.300 0.006 0.000 0.863 471 V CB 2.281 34.155 31.823 0.085 0.000 0.999 471 V HN 0.251 nan 8.190 nan 0.000 0.423 472 V N 4.097 124.002 119.914 -0.014 0.000 2.427 472 V HA 0.121 4.241 4.120 -0.000 0.000 0.268 472 V C 0.579 176.632 176.094 -0.067 0.000 1.046 472 V CA -0.189 62.055 62.300 -0.093 0.000 0.970 472 V CB 1.078 32.763 31.823 -0.231 0.000 1.001 472 V HN 1.040 nan 8.190 nan 0.000 0.476 473 C N 6.244 125.511 119.300 -0.055 0.000 2.499 473 C HA 0.336 4.796 4.460 -0.000 0.000 0.386 473 C C 1.382 176.352 174.990 -0.033 0.000 1.293 473 C CA -0.344 58.654 59.018 -0.033 0.000 1.884 473 C CB -0.348 27.378 27.740 -0.024 0.000 2.509 473 C HN 1.052 nan 8.230 nan 0.000 0.566 474 K N 2.633 123.017 120.400 -0.027 0.000 2.355 474 K HA 0.157 4.476 4.320 -0.000 0.000 0.198 474 K C 0.323 176.924 176.600 0.000 0.000 1.039 474 K CA -0.082 56.199 56.287 -0.011 0.000 1.075 474 K CB 0.122 32.604 32.500 -0.030 0.000 0.870 474 K HN 0.775 nan 8.250 nan 0.000 0.540 475 D N 2.420 122.816 120.400 -0.007 0.000 2.399 475 D HA 0.058 4.698 4.640 -0.000 0.000 0.241 475 D C -2.267 174.033 176.300 -0.001 0.000 1.133 475 D CA -1.021 52.974 54.000 -0.008 0.000 0.890 475 D CB 0.947 41.737 40.800 -0.017 0.000 1.201 475 D HN 0.028 nan 8.370 nan 0.000 0.432 476 P HA 0.021 nan 4.420 nan 0.000 0.272 476 P C -0.404 176.898 177.300 0.002 0.000 1.230 476 P CA -0.421 62.682 63.100 0.005 0.000 0.788 476 P CB 0.587 32.288 31.700 0.003 0.000 0.949 477 V N 3.215 123.137 119.914 0.013 0.000 2.470 477 V HA 0.030 4.149 4.120 -0.000 0.000 0.276 477 V C 0.637 176.741 176.094 0.017 0.000 1.040 477 V CA -0.095 62.217 62.300 0.020 0.000 1.008 477 V CB 0.066 31.917 31.823 0.047 0.000 0.990 477 V HN 0.441 nan 8.190 nan 0.000 0.477 478 Q N 3.355 123.157 119.800 0.003 0.000 2.340 478 Q HA 0.175 4.515 4.340 -0.000 0.000 0.249 478 Q C 1.024 177.041 176.000 0.029 0.000 0.957 478 Q CA -0.232 55.572 55.803 0.002 0.000 0.882 478 Q CB 0.974 29.697 28.738 -0.026 0.000 1.235 478 Q HN 0.710 nan 8.270 nan 0.000 0.439 479 E N 1.483 121.698 120.200 0.024 0.000 2.070 479 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 479 E C 0.006 176.638 176.600 0.053 0.000 1.004 479 E CA 1.595 58.016 56.400 0.034 0.000 0.805 479 E CB 0.039 29.750 29.700 0.018 0.000 0.744 479 E HN 0.646 nan 8.360 nan 0.000 0.451 480 A N 0.434 123.278 122.820 0.040 0.000 2.269 480 A HA 0.064 4.384 4.320 -0.000 0.000 0.302 480 A C 0.431 178.065 177.584 0.082 0.000 1.266 480 A CA -0.503 51.567 52.037 0.056 0.000 0.894 480 A CB -0.227 18.783 19.000 0.016 0.000 1.147 480 A HN 0.512 nan 8.150 nan 0.000 0.537 481 W N 3.161 124.415 121.300 -0.076 0.000 2.304 481 W HA -0.358 4.302 4.660 -0.000 0.000 0.315 481 W C 1.706 178.163 176.519 -0.103 0.000 1.233 481 W CA 2.557 59.848 57.345 -0.090 0.000 1.261 481 W CB -0.167 29.223 29.460 -0.116 0.000 1.150 481 W HN 0.779 nan 8.180 nan 0.000 0.494 482 A N 0.443 123.231 122.820 -0.053 0.000 1.940 482 A HA -0.252 4.067 4.320 -0.000 0.000 0.219 482 A C 1.798 179.273 177.584 -0.182 0.000 1.176 482 A CA 2.021 53.959 52.037 -0.164 0.000 0.631 482 A CB -0.903 18.039 19.000 -0.096 0.000 0.814 482 A HN 0.535 nan 8.150 nan 0.000 0.446 483 E N -1.044 119.079 120.200 -0.128 0.000 2.216 483 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 483 E C 1.524 178.031 176.600 -0.155 0.000 0.988 483 E CA 0.906 57.237 56.400 -0.114 0.000 0.834 483 E CB -0.081 29.579 29.700 -0.066 0.000 0.772 483 E HN 0.715 nan 8.360 nan 0.000 0.479 484 D N -0.016 120.258 120.400 -0.211 0.000 2.137 484 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 484 D C 1.897 177.978 176.300 -0.366 0.000 0.970 484 D CA 0.549 54.400 54.000 -0.249 0.000 0.837 484 D CB 0.263 40.924 40.800 -0.231 0.000 0.981 484 D HN -0.103 nan 8.370 nan 0.000 0.475 485 V N 0.886 120.463 119.914 -0.561 0.000 2.255 485 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 485 V C 1.825 177.753 176.094 -0.276 0.000 1.051 485 V CA 2.077 64.064 62.300 -0.521 0.000 1.018 485 V CB -0.449 31.006 31.823 -0.614 0.000 0.641 485 V HN 0.295 nan 8.190 nan 0.000 0.445 486 D N -0.561 119.707 120.400 -0.220 0.000 2.183 486 D HA -0.101 4.539 4.640 -0.000 0.000 0.203 486 D C 2.058 178.297 176.300 -0.101 0.000 0.969 486 D CA 0.948 54.867 54.000 -0.135 0.000 0.842 486 D CB -0.041 40.693 40.800 -0.110 0.000 0.957 486 D HN 0.411 nan 8.370 nan 0.000 0.484 487 L N 0.822 121.980 121.223 -0.109 0.000 2.017 487 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 487 L C 2.451 179.280 176.870 -0.069 0.000 1.073 487 L CA 1.367 56.160 54.840 -0.078 0.000 0.745 487 L CB 0.021 42.033 42.059 -0.080 0.000 0.894 487 L HN -0.122 nan 8.230 nan 0.000 0.432 488 R N -1.017 119.425 120.500 -0.098 0.000 2.092 488 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 488 R C 2.099 178.372 176.300 -0.045 0.000 1.119 488 R CA 1.376 57.430 56.100 -0.076 0.000 0.970 488 R CB -0.288 29.944 30.300 -0.115 0.000 0.864 488 R HN 0.318 nan 8.270 nan 0.000 0.440 489 V N 1.462 121.340 119.914 -0.060 0.000 2.379 489 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 489 V C 1.964 178.058 176.094 0.000 0.000 1.044 489 V CA 1.827 64.110 62.300 -0.028 0.000 1.036 489 V CB -0.651 31.143 31.823 -0.048 0.000 0.664 489 V HN 0.344 nan 8.190 nan 0.000 0.453 490 N N 0.570 119.263 118.700 -0.013 0.000 2.061 490 N HA -0.219 4.521 4.740 -0.000 0.000 0.193 490 N C 1.693 177.221 175.510 0.031 0.000 1.030 490 N CA 1.883 54.936 53.050 0.005 0.000 0.856 490 N CB -0.405 38.076 38.487 -0.010 0.000 1.023 490 N HN 0.381 nan 8.380 nan 0.000 0.424 491 L N 0.320 121.556 121.223 0.022 0.000 2.042 491 L HA -0.016 4.323 4.340 -0.000 0.000 0.210 491 L C 2.104 179.017 176.870 0.071 0.000 1.076 491 L CA 2.137 56.998 54.840 0.035 0.000 0.749 491 L CB -1.138 40.933 42.059 0.020 0.000 0.893 491 L HN 0.234 nan 8.230 nan 0.000 0.432 492 A N -0.968 121.905 122.820 0.090 0.000 1.902 492 A HA -0.243 4.076 4.320 -0.000 0.000 0.217 492 A C 2.288 180.009 177.584 0.227 0.000 1.181 492 A CA 2.155 54.284 52.037 0.153 0.000 0.623 492 A CB -0.645 18.446 19.000 0.152 0.000 0.818 492 A HN 0.513 nan 8.150 nan 0.000 0.443 493 M N 0.363 120.088 119.600 0.209 0.000 2.065 493 M HA -0.164 4.316 4.480 -0.000 0.000 0.259 493 M C 1.766 178.211 176.300 0.243 0.000 1.069 493 M CA 1.771 57.252 55.300 0.303 0.000 1.110 493 M CB -0.679 32.008 32.600 0.146 0.000 1.328 493 M HN 0.437 nan 8.290 nan 0.000 0.405 494 N N -0.388 118.382 118.700 0.116 0.000 2.094 494 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 494 N C 1.764 177.270 175.510 -0.005 0.000 1.023 494 N CA 1.728 54.808 53.050 0.051 0.000 0.857 494 N CB -0.707 37.800 38.487 0.035 0.000 1.013 494 N HN 0.248 nan 8.380 nan 0.000 0.426 495 V N 0.885 120.803 119.914 0.007 0.000 2.261 495 V HA -0.154 3.965 4.120 -0.000 0.000 0.246 495 V C 2.482 178.420 176.094 -0.260 0.000 1.047 495 V CA 2.078 64.348 62.300 -0.050 0.000 1.015 495 V CB -1.277 30.586 31.823 0.067 0.000 0.642 495 V HN 0.350 nan 8.190 nan 0.000 0.446 496 G N -0.369 108.264 108.800 -0.280 0.000 2.476 496 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 496 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 496 G C 1.671 175.978 174.900 -0.989 0.000 1.164 496 G CA 1.109 45.683 45.100 -0.878 0.000 0.768 496 G HN 0.460 nan 8.290 nan 0.000 0.560 497 K N 0.444 120.553 120.400 -0.484 0.000 2.057 497 K HA 0.008 4.327 4.320 -0.000 0.000 0.207 497 K C 2.961 179.415 176.600 -0.243 0.000 1.049 497 K CA 1.046 57.192 56.287 -0.235 0.000 0.931 497 K CB -0.228 32.279 32.500 0.012 0.000 0.714 497 K HN 0.292 nan 8.250 nan 0.000 0.440 498 A N 1.297 123.976 122.820 -0.235 0.000 1.930 498 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 498 A C 1.976 179.385 177.584 -0.291 0.000 1.175 498 A CA 1.036 52.956 52.037 -0.196 0.000 0.627 498 A CB -0.172 18.749 19.000 -0.130 0.000 0.815 498 A HN 0.105 nan 8.150 nan 0.000 0.443 499 R N -1.326 118.857 120.500 -0.527 0.000 2.193 499 R HA 0.029 4.369 4.340 -0.000 0.000 0.213 499 R C 1.325 177.237 176.300 -0.646 0.000 1.055 499 R CA 0.899 56.545 56.100 -0.757 0.000 0.995 499 R CB -0.587 28.800 30.300 -1.523 0.000 0.893 499 R HN 0.894 nan 8.270 nan 0.000 0.459 500 G N 0.215 108.701 108.800 -0.523 0.000 2.130 500 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.216 500 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.216 500 G C 0.398 175.264 174.900 -0.057 0.000 0.999 500 G CA -0.081 44.887 45.100 -0.220 0.000 0.686 500 G HN 0.208 nan 8.290 nan 0.000 0.515 501 F N -0.076 119.643 119.950 -0.386 0.000 2.416 501 F HA 0.425 4.952 4.527 -0.000 0.000 0.296 501 F C 1.259 176.943 175.800 -0.193 0.000 1.099 501 F CA 0.249 58.028 58.000 -0.369 0.000 1.427 501 F CB -0.483 38.184 39.000 -0.556 0.000 1.079 501 F HN 0.401 nan 8.300 nan 0.000 0.536 502 F N -1.133 118.894 119.950 0.128 0.000 2.719 502 F HA 0.539 5.066 4.527 -0.000 0.000 0.309 502 F C -0.907 174.911 175.800 0.031 0.000 1.138 502 F CA -2.425 55.617 58.000 0.070 0.000 0.943 502 F CB 0.922 39.962 39.000 0.068 0.000 1.304 502 F HN -0.192 nan 8.300 nan 0.000 0.445 503 K N 0.598 121.184 120.400 0.309 0.000 2.350 503 K HA 0.480 4.800 4.320 -0.000 0.000 0.241 503 K C -0.953 175.737 176.600 0.151 0.000 0.994 503 K CA -1.178 55.222 56.287 0.188 0.000 0.839 503 K CB 2.442 35.004 32.500 0.103 0.000 1.244 503 K HN 0.807 nan 8.250 nan 0.000 0.443 504 K N 0.366 120.826 120.400 0.100 0.000 2.440 504 K HA -0.083 4.237 4.320 -0.000 0.000 0.275 504 K C 0.413 177.031 176.600 0.030 0.000 1.082 504 K CA 1.751 58.069 56.287 0.053 0.000 1.135 504 K CB -0.640 31.883 32.500 0.038 0.000 0.864 504 K HN 0.940 nan 8.250 nan 0.000 0.479 505 G N 3.314 112.117 108.800 0.004 0.000 2.211 505 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.201 505 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.201 505 G C -0.273 174.621 174.900 -0.011 0.000 0.997 505 G CA -0.101 44.997 45.100 -0.004 0.000 0.652 505 G HN 0.682 nan 8.290 nan 0.000 0.500 506 D N 0.434 120.826 120.400 -0.012 0.000 2.354 506 D HA 0.516 5.156 4.640 -0.000 0.000 0.247 506 D C 0.933 177.174 176.300 -0.099 0.000 1.138 506 D CA 0.597 54.581 54.000 -0.027 0.000 0.958 506 D CB 2.025 42.839 40.800 0.022 0.000 1.144 506 D HN 0.776 nan 8.370 nan 0.000 0.458 507 V N -1.384 118.475 119.914 -0.091 0.000 2.630 507 V HA 0.775 4.895 4.120 -0.000 0.000 0.305 507 V C 0.058 176.059 176.094 -0.155 0.000 1.046 507 V CA -0.789 61.442 62.300 -0.115 0.000 0.934 507 V CB 1.426 33.210 31.823 -0.064 0.000 1.003 507 V HN 0.363 nan 8.190 nan 0.000 0.451 508 V N 1.393 121.201 119.914 -0.177 0.000 3.040 508 V HA 0.683 4.803 4.120 -0.000 0.000 0.312 508 V C -0.566 175.474 176.094 -0.090 0.000 1.115 508 V CA -0.891 61.312 62.300 -0.161 0.000 0.998 508 V CB 2.104 33.759 31.823 -0.281 0.000 1.042 508 V HN 0.826 nan 8.190 nan 0.000 0.433 509 I N 2.758 123.295 120.570 -0.054 0.000 2.315 509 I HA 0.470 4.639 4.170 -0.000 0.000 0.291 509 I C -0.275 175.833 176.117 -0.015 0.000 1.006 509 I CA -0.393 60.887 61.300 -0.033 0.000 1.265 509 I CB 1.389 39.369 38.000 -0.033 0.000 1.387 509 I HN 0.474 nan 8.210 nan 0.000 0.475 510 V N 7.950 127.859 119.914 -0.008 0.000 2.378 510 V HA 0.406 4.526 4.120 -0.000 0.000 0.288 510 V C 0.059 176.167 176.094 0.024 0.000 1.016 510 V CA -0.567 61.736 62.300 0.005 0.000 0.840 510 V CB 1.977 33.796 31.823 -0.007 0.000 0.994 510 V HN 0.453 nan 8.190 nan 0.000 0.431 511 L N 5.700 126.943 121.223 0.034 0.000 2.282 511 L HA 0.801 5.141 4.340 -0.000 0.000 0.288 511 L C 0.294 177.195 176.870 0.051 0.000 1.033 511 L CA 0.071 54.941 54.840 0.050 0.000 0.807 511 L CB 1.996 44.091 42.059 0.061 0.000 1.209 511 L HN 0.865 nan 8.230 nan 0.000 0.423 512 T N -0.620 113.976 114.554 0.070 0.000 2.868 512 T HA 0.594 4.944 4.350 -0.000 0.000 0.306 512 T C -0.156 174.628 174.700 0.141 0.000 1.224 512 T CA -0.778 61.373 62.100 0.084 0.000 1.012 512 T CB 1.631 70.530 68.868 0.052 0.000 1.221 512 T HN 0.578 nan 8.240 nan 0.000 0.499 513 G N 0.410 109.350 108.800 0.235 0.000 2.355 513 G HA2 0.330 4.289 3.960 -0.000 0.000 0.276 513 G HA3 0.330 4.289 3.960 -0.000 0.000 0.276 513 G C 0.575 175.724 174.900 0.414 0.000 1.198 513 G CA -0.788 44.469 45.100 0.263 0.000 0.876 513 G HN 0.814 nan 8.290 nan 0.000 0.478 514 W N 3.589 124.922 121.300 0.055 0.000 2.335 514 W HA -0.031 4.629 4.660 -0.000 0.000 0.311 514 W C 0.300 176.872 176.519 0.088 0.000 1.213 514 W CA 0.761 58.151 57.345 0.075 0.000 1.274 514 W CB 0.316 29.753 29.460 -0.037 0.000 1.148 514 W HN 0.310 nan 8.180 nan 0.000 0.498 515 R N -0.771 119.674 120.500 -0.093 0.000 2.919 515 R HA 0.213 4.553 4.340 -0.000 0.000 0.260 515 R C -1.294 174.282 176.300 -1.208 0.000 1.067 515 R CA -1.917 53.827 56.100 -0.593 0.000 1.003 515 R CB 0.042 30.159 30.300 -0.305 0.000 1.192 515 R HN -0.182 nan 8.270 nan 0.000 0.488 516 P HA -0.084 nan 4.420 nan 0.000 0.221 516 P C 0.772 177.601 177.300 -0.785 0.000 1.145 516 P CA 1.183 63.194 63.100 -1.815 0.000 0.795 516 P CB 0.224 31.331 31.700 -0.990 0.000 0.775 517 G N -0.845 107.656 108.800 -0.497 0.000 3.434 517 G HA2 0.093 4.053 3.960 -0.000 0.000 0.258 517 G HA3 0.093 4.053 3.960 -0.000 0.000 0.258 517 G C 0.064 174.865 174.900 -0.165 0.000 1.128 517 G CA -0.019 44.932 45.100 -0.249 0.000 0.792 517 G HN 0.121 nan 8.290 nan 0.000 0.539 518 S N 0.154 115.737 115.700 -0.196 0.000 2.505 518 S HA 0.371 4.841 4.470 -0.000 0.000 0.276 518 S C 1.588 176.154 174.600 -0.056 0.000 1.274 518 S CA 0.060 58.180 58.200 -0.133 0.000 1.053 518 S CB 1.644 64.752 63.200 -0.154 0.000 0.919 518 S HN 0.310 nan 8.310 nan 0.000 0.490 519 G N 1.889 110.720 108.800 0.052 0.000 2.776 519 G HA2 0.280 4.239 3.960 -0.000 0.000 0.209 519 G HA3 0.280 4.239 3.960 -0.000 0.000 0.209 519 G C 0.060 175.170 174.900 0.351 0.000 1.145 519 G CA 0.290 45.515 45.100 0.209 0.000 0.791 519 G HN 0.666 nan 8.290 nan 0.000 0.530 520 F N -2.839 117.138 119.950 0.046 0.000 2.858 520 F HA 0.451 4.978 4.527 -0.000 0.000 0.319 520 F C -0.219 175.631 175.800 0.083 0.000 1.166 520 F CA -1.317 56.714 58.000 0.052 0.000 0.899 520 F CB 0.355 39.378 39.000 0.038 0.000 1.332 520 F HN -0.073 nan 8.300 nan 0.000 0.461 521 T N 0.647 115.275 114.554 0.123 0.000 2.961 521 T HA 0.165 4.515 4.350 -0.000 0.000 0.270 521 T C 0.276 174.946 174.700 -0.050 0.000 0.926 521 T CA -0.130 61.993 62.100 0.037 0.000 1.112 521 T CB -0.842 68.093 68.868 0.112 0.000 0.926 521 T HN 0.758 nan 8.240 nan 0.000 0.612 522 N N 1.403 119.879 118.700 -0.373 0.000 2.268 522 N HA 0.060 4.800 4.740 -0.000 0.000 0.204 522 N C -0.578 174.891 175.510 -0.069 0.000 1.124 522 N CA -0.581 52.273 53.050 -0.327 0.000 0.838 522 N CB 0.346 38.417 38.487 -0.693 0.000 0.994 522 N HN 0.487 nan 8.380 nan 0.000 0.489 523 T N 1.262 115.833 114.554 0.028 0.000 2.840 523 T HA 0.330 4.680 4.350 -0.000 0.000 0.287 523 T C -0.892 173.856 174.700 0.079 0.000 0.991 523 T CA -0.639 61.518 62.100 0.094 0.000 0.964 523 T CB 1.755 70.786 68.868 0.271 0.000 0.954 523 T HN 0.050 nan 8.240 nan 0.000 0.438 524 M N 3.815 123.447 119.600 0.054 0.000 2.243 524 M HA 0.535 5.014 4.480 -0.000 0.000 0.324 524 M C -1.231 175.089 176.300 0.033 0.000 1.031 524 M CA -0.479 54.844 55.300 0.039 0.000 0.949 524 M CB 1.409 34.024 32.600 0.024 0.000 1.615 524 M HN 0.599 nan 8.290 nan 0.000 0.430 525 R N 2.213 122.728 120.500 0.026 0.000 2.740 525 R HA 0.653 4.992 4.340 -0.000 0.000 0.282 525 R C -1.255 175.042 176.300 -0.006 0.000 0.969 525 R CA -0.851 55.259 56.100 0.016 0.000 0.918 525 R CB 2.869 33.183 30.300 0.024 0.000 1.175 525 R HN 0.552 nan 8.270 nan 0.000 0.464 526 V N 4.101 124.008 119.914 -0.012 0.000 2.364 526 V HA 0.377 4.497 4.120 -0.000 0.000 0.272 526 V C -0.859 175.215 176.094 -0.033 0.000 1.036 526 V CA -0.304 61.980 62.300 -0.027 0.000 0.880 526 V CB 1.371 33.179 31.823 -0.025 0.000 0.991 526 V HN 0.423 nan 8.190 nan 0.000 0.460 527 V N 9.826 129.709 119.914 -0.053 0.000 2.487 527 V HA 0.531 4.651 4.120 -0.000 0.000 0.298 527 V C -2.243 173.795 176.094 -0.092 0.000 1.028 527 V CA -1.645 60.617 62.300 -0.062 0.000 0.860 527 V CB 2.408 34.194 31.823 -0.061 0.000 0.991 527 V HN 0.813 nan 8.190 nan 0.000 0.427 528 P HA 0.186 nan 4.420 nan 0.000 0.275 528 P C -0.457 176.776 177.300 -0.111 0.000 1.227 528 P CA -0.091 62.958 63.100 -0.087 0.000 0.781 528 P CB 1.209 32.878 31.700 -0.052 0.000 0.906 529 V N 5.894 125.721 119.914 -0.145 0.000 2.446 529 V HA 0.102 4.222 4.120 -0.000 0.000 0.276 529 V C -1.228 174.835 176.094 -0.051 0.000 1.030 529 V CA -0.946 61.264 62.300 -0.149 0.000 1.033 529 V CB 0.058 31.761 31.823 -0.200 0.000 0.993 529 V HN 0.638 nan 8.190 nan 0.000 0.477 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 530 P CB 0.000 31.696 31.700 -0.007 0.000 0.726