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 2vk4_1_A DATA FIRST_RESID 2 DATA SEQUENCE SEITLGRYLF ERLKQVEVQT IFGLPGDFNL SLLDNIYEVP GMRWAGNANE DATA SEQUENCE LNAAYAADGY ARLKGMSCII TTFGVGELSA LNGIAGSYAE HVGVLHVVGV DATA SEQUENCE PSVXXQAKQL LLHHTLGNGD FTVFHRMSSN ISETTAMITD INTAPAEIDR DATA SEQUENCE CIRTTYVSQR PVYLGLPANL VDLTVPASLL DTPIDLSLKP NDPEAEEEVI DATA SEQUENCE ENVLQLIKEA KNPVILADAC CSRHDAKAET KKLIDLTQFP AFVTPMGKGS DATA SEQUENCE IDEKHPRFGG VYVGTLSSPA VKEAVESADL VLSVGALLSD FNTGSFSYSY DATA SEQUENCE KTKNIVEFHS DYTKIRSATF PGVQMKFALQ KLLTKVADAA KGYKPVPVPS DATA SEQUENCE EPEHNEAVAD STPLKQEWVW TQVGEFLREG DVVITETGTS AFGINQTHFP DATA SEQUENCE NNTYGISQVL WGSIGFTTGA TLGAAFAAEE IDPKKRVILF IGDGSLQLTV DATA SEQUENCE QEISTMIRWG LKPYLFVLNN DGYTIERLIH GETAQYNCIQ NWQHLELLPT DATA SEQUENCE FGAKDYEAVR VSTTGEWNKL TTDEKFQDNT RIRLIEVMLP TMDAPSNLVK DATA SEQUENCE QAQLTAATNA KN 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.609 174.600 0.016 0.000 1.055 2 S CA 0.000 58.207 58.200 0.012 0.000 1.107 2 S CB 0.000 63.208 63.200 0.014 0.000 0.593 3 E N 3.422 123.630 120.200 0.015 0.000 2.244 3 E HA 0.702 4.898 4.350 -0.256 0.000 0.266 3 E C -0.471 176.144 176.600 0.025 0.000 0.914 3 E CA -0.963 55.447 56.400 0.016 0.000 0.794 3 E CB 2.155 31.857 29.700 0.004 0.000 1.210 3 E HN 0.710 nan 8.360 nan 0.000 0.414 4 I N -2.053 118.539 120.570 0.037 0.000 2.934 4 I HA 0.501 4.517 4.170 -0.256 0.000 0.306 4 I C 0.294 176.439 176.117 0.047 0.000 1.110 4 I CA -0.980 60.351 61.300 0.052 0.000 1.019 4 I CB 1.927 39.977 38.000 0.084 0.000 1.227 4 I HN 0.411 nan 8.210 nan 0.000 0.434 5 T N 0.694 115.278 114.554 0.050 0.000 2.813 5 T HA 0.175 4.371 4.350 -0.256 0.000 0.297 5 T C 0.785 175.521 174.700 0.059 0.000 1.036 5 T CA -0.480 61.643 62.100 0.038 0.000 1.044 5 T CB 1.380 70.270 68.868 0.036 0.000 0.993 5 T HN 0.726 nan 8.240 nan 0.000 0.535 6 L N 2.036 123.271 121.223 0.019 0.000 2.141 6 L HA 0.220 4.406 4.340 -0.256 0.000 0.209 6 L C 2.479 179.390 176.870 0.068 0.000 1.094 6 L CA 2.201 57.047 54.840 0.010 0.000 0.763 6 L CB -1.286 40.736 42.059 -0.061 0.000 0.908 6 L HN 0.969 nan 8.230 nan 0.000 0.437 7 G N -0.538 108.295 108.800 0.054 0.000 2.446 7 G HA2 -0.379 3.427 3.960 -0.256 0.000 0.217 7 G HA3 -0.379 3.427 3.960 -0.256 0.000 0.217 7 G C 1.736 176.735 174.900 0.165 0.000 1.168 7 G CA 0.900 46.049 45.100 0.082 0.000 0.771 7 G HN 0.383 nan 8.290 nan 0.000 0.551 8 R N -0.377 120.226 120.500 0.172 0.000 2.096 8 R HA -0.086 4.100 4.340 -0.256 0.000 0.235 8 R C 2.194 178.588 176.300 0.157 0.000 1.127 8 R CA 1.416 57.629 56.100 0.187 0.000 0.968 8 R CB -1.040 29.331 30.300 0.119 0.000 0.861 8 R HN 0.478 nan 8.270 nan 0.000 0.440 9 Y N 0.119 120.425 120.300 0.009 0.000 2.181 9 Y HA -0.204 4.189 4.550 -0.263 0.000 0.288 9 Y C 1.787 177.645 175.900 -0.070 0.000 1.146 9 Y CA 1.799 59.885 58.100 -0.023 0.000 1.164 9 Y CB -0.369 38.070 38.460 -0.035 0.000 0.982 9 Y HN 0.194 nan 8.280 nan 0.000 0.515 10 L N -0.168 121.040 121.223 -0.024 0.000 1.971 10 L HA -0.249 3.937 4.340 -0.256 0.000 0.215 10 L C 2.002 178.650 176.870 -0.371 0.000 1.072 10 L CA 2.129 56.801 54.840 -0.279 0.000 0.758 10 L CB -1.279 40.488 42.059 -0.487 0.000 0.889 10 L HN 0.230 nan 8.230 nan 0.000 0.433 11 F N 0.040 119.945 119.950 -0.075 0.000 2.234 11 F HA -0.114 4.199 4.527 -0.356 0.000 0.299 11 F C 2.535 178.269 175.800 -0.111 0.000 1.087 11 F CA 1.174 59.120 58.000 -0.090 0.000 1.340 11 F CB -0.742 38.205 39.000 -0.089 0.000 1.031 11 F HN 0.161 nan 8.300 nan 0.000 0.500 12 E N 0.240 120.448 120.200 0.013 0.000 2.077 12 E HA -0.155 4.041 4.350 -0.256 0.000 0.193 12 E C 2.416 178.926 176.600 -0.151 0.000 0.989 12 E CA 0.733 57.091 56.400 -0.070 0.000 0.800 12 E CB -0.257 29.381 29.700 -0.104 0.000 0.746 12 E HN 0.274 nan 8.360 nan 0.000 0.452 13 R N 0.634 120.968 120.500 -0.276 0.000 2.080 13 R HA -0.057 4.129 4.340 -0.256 0.000 0.236 13 R C 2.648 178.866 176.300 -0.138 0.000 1.137 13 R CA 0.719 56.662 56.100 -0.261 0.000 0.943 13 R CB -1.125 28.959 30.300 -0.360 0.000 0.846 13 R HN 0.250 nan 8.270 nan 0.000 0.431 14 L N 0.854 122.015 121.223 -0.103 0.000 2.042 14 L HA -0.188 3.998 4.340 -0.256 0.000 0.210 14 L C 2.698 179.566 176.870 -0.003 0.000 1.076 14 L CA 1.468 56.288 54.840 -0.034 0.000 0.749 14 L CB -0.449 41.609 42.059 -0.002 0.000 0.893 14 L HN 0.222 nan 8.230 nan 0.000 0.432 15 K N 0.191 120.590 120.400 -0.002 0.000 2.063 15 K HA -0.238 3.928 4.320 -0.256 0.000 0.208 15 K C 2.067 178.656 176.600 -0.020 0.000 1.048 15 K CA 1.558 57.845 56.287 -0.000 0.000 0.928 15 K CB -0.036 32.464 32.500 -0.001 0.000 0.713 15 K HN 0.382 nan 8.250 nan 0.000 0.442 16 Q N 0.094 119.864 119.800 -0.050 0.000 2.291 16 Q HA -0.100 4.086 4.340 -0.256 0.000 0.206 16 Q C 1.623 177.583 176.000 -0.066 0.000 0.976 16 Q CA 1.410 57.176 55.803 -0.061 0.000 0.875 16 Q CB 0.129 28.816 28.738 -0.085 0.000 0.927 16 Q HN 0.355 nan 8.270 nan 0.000 0.450 17 V N -2.773 117.104 119.914 -0.061 0.000 3.342 17 V HA 0.202 4.168 4.120 -0.256 0.000 0.322 17 V C -0.182 175.913 176.094 0.002 0.000 1.370 17 V CA -0.029 62.226 62.300 -0.076 0.000 1.170 17 V CB -0.414 31.337 31.823 -0.120 0.000 1.101 17 V HN 0.299 nan 8.190 nan 0.000 0.442 18 E N -1.396 118.815 120.200 0.019 0.000 3.181 18 E HA -0.147 4.050 4.350 -0.256 0.000 0.293 18 E C -0.080 176.594 176.600 0.123 0.000 0.936 18 E CA 0.617 57.049 56.400 0.053 0.000 0.975 18 E CB -1.607 28.117 29.700 0.041 0.000 1.496 18 E HN 0.580 nan 8.360 nan 0.000 0.429 19 V N 1.310 121.300 119.914 0.127 0.000 2.348 19 V HA 0.096 4.062 4.120 -0.256 0.000 0.270 19 V C 1.052 177.196 176.094 0.084 0.000 1.037 19 V CA 0.280 62.691 62.300 0.185 0.000 0.872 19 V CB 1.388 33.290 31.823 0.130 0.000 1.002 19 V HN 0.226 nan 8.190 nan 0.000 0.464 20 Q N 1.843 121.699 119.800 0.092 0.000 2.431 20 Q HA 0.159 4.345 4.340 -0.256 0.000 0.244 20 Q C 0.281 176.134 176.000 -0.245 0.000 0.880 20 Q CA 0.311 56.095 55.803 -0.032 0.000 0.954 20 Q CB 0.903 29.657 28.738 0.026 0.000 1.105 20 Q HN 0.713 nan 8.270 nan 0.000 0.558 21 T N 1.863 116.133 114.554 -0.472 0.000 2.795 21 T HA 0.397 4.593 4.350 -0.256 0.000 0.282 21 T C -0.466 173.566 174.700 -1.113 0.000 0.980 21 T CA -0.355 61.157 62.100 -0.980 0.000 1.012 21 T CB 1.123 69.162 68.868 -1.382 0.000 0.936 21 T HN -0.017 nan 8.240 nan 0.000 0.457 22 I N 3.844 123.841 120.570 -0.956 0.000 2.377 22 I HA 0.452 4.468 4.170 -0.256 0.000 0.293 22 I C -0.287 175.187 176.117 -1.071 0.000 0.987 22 I CA -0.987 59.921 61.300 -0.654 0.000 1.185 22 I CB 0.781 38.761 38.000 -0.034 0.000 1.341 22 I HN 0.525 nan 8.210 nan 0.000 0.455 23 F N 2.932 122.604 119.950 -0.463 0.000 2.408 23 F HA 0.820 5.194 4.527 -0.255 0.000 0.325 23 F C 1.057 176.547 175.800 -0.516 0.000 1.082 23 F CA 0.016 57.686 58.000 -0.550 0.000 1.032 23 F CB 1.540 40.334 39.000 -0.344 0.000 1.259 23 F HN 0.685 nan 8.300 nan 0.000 0.503 24 G N 0.267 108.874 108.800 -0.323 0.000 2.331 24 G HA2 0.278 4.085 3.960 -0.256 0.000 0.402 24 G HA3 0.278 4.085 3.960 -0.256 0.000 0.402 24 G C -2.401 172.509 174.900 0.017 0.000 1.275 24 G CA -1.205 43.865 45.100 -0.051 0.000 1.003 24 G HN 0.528 nan 8.290 nan 0.000 0.500 25 L N 1.572 122.999 121.223 0.340 0.000 2.371 25 L HA 0.721 4.907 4.340 -0.256 0.000 0.262 25 L C -1.893 175.247 176.870 0.450 0.000 1.006 25 L CA -1.640 53.455 54.840 0.425 0.000 0.818 25 L CB 2.474 44.661 42.059 0.212 0.000 1.354 25 L HN 0.547 nan 8.230 nan 0.000 0.415 26 P HA 0.435 nan 4.420 nan 0.000 0.272 26 P C -0.610 176.734 177.300 0.072 0.000 1.230 26 P CA -0.106 63.052 63.100 0.097 0.000 0.788 26 P CB 1.422 33.133 31.700 0.018 0.000 0.949 27 G N 0.372 109.178 108.800 0.010 0.000 2.554 27 G HA2 0.172 3.978 3.960 -0.256 0.000 0.306 27 G HA3 0.172 3.978 3.960 -0.256 0.000 0.306 27 G C -0.000 174.817 174.900 -0.138 0.000 1.320 27 G CA -0.457 44.627 45.100 -0.028 0.000 0.800 27 G HN 0.269 nan 8.290 nan 0.000 0.481 28 D N -0.443 119.790 120.400 -0.279 0.000 2.200 28 D HA -0.119 4.368 4.640 -0.256 0.000 0.192 28 D C 1.386 177.194 176.300 -0.820 0.000 1.008 28 D CA 1.783 55.377 54.000 -0.676 0.000 0.872 28 D CB -0.121 40.006 40.800 -1.122 0.000 0.923 28 D HN 0.272 nan 8.370 nan 0.000 0.447 29 F N -0.553 119.381 119.950 -0.026 0.000 2.668 29 F HA 0.210 4.573 4.527 -0.272 0.000 0.301 29 F C 0.977 176.746 175.800 -0.050 0.000 1.106 29 F CA -0.507 57.455 58.000 -0.063 0.000 1.289 29 F CB 0.118 39.066 39.000 -0.087 0.000 1.006 29 F HN -0.100 nan 8.300 nan 0.000 0.535 30 N N -0.709 118.010 118.700 0.032 0.000 2.082 30 N HA 0.067 4.653 4.740 -0.256 0.000 0.228 30 N C 0.932 176.399 175.510 -0.071 0.000 1.341 30 N CA 0.025 53.079 53.050 0.007 0.000 0.873 30 N CB -0.617 37.889 38.487 0.032 0.000 1.137 30 N HN 0.236 nan 8.380 nan 0.000 0.505 31 L N 0.708 121.876 121.223 -0.092 0.000 1.994 31 L HA -0.138 4.048 4.340 -0.256 0.000 0.208 31 L C 2.395 179.204 176.870 -0.101 0.000 1.071 31 L CA 1.981 56.748 54.840 -0.122 0.000 0.745 31 L CB -0.793 41.204 42.059 -0.104 0.000 0.892 31 L HN 0.336 nan 8.230 nan 0.000 0.431 32 S N 0.168 115.831 115.700 -0.061 0.000 2.399 32 S HA -0.195 4.121 4.470 -0.256 0.000 0.231 32 S C 1.953 176.533 174.600 -0.032 0.000 1.022 32 S CA 0.958 59.133 58.200 -0.042 0.000 0.983 32 S CB -0.742 62.444 63.200 -0.023 0.000 0.803 32 S HN 0.256 nan 8.310 nan 0.000 0.480 33 L N 2.010 123.224 121.223 -0.015 0.000 1.990 33 L HA -0.035 4.151 4.340 -0.256 0.000 0.213 33 L C 2.301 179.180 176.870 0.015 0.000 1.072 33 L CA 1.789 56.661 54.840 0.053 0.000 0.755 33 L CB -0.879 41.219 42.059 0.065 0.000 0.889 33 L HN 0.399 nan 8.230 nan 0.000 0.432 34 L N -0.801 120.318 121.223 -0.173 0.000 2.265 34 L HA -0.193 3.993 4.340 -0.256 0.000 0.215 34 L C 2.097 178.634 176.870 -0.556 0.000 1.117 34 L CA 0.902 55.453 54.840 -0.482 0.000 0.782 34 L CB -0.996 40.622 42.059 -0.734 0.000 0.914 34 L HN 0.310 nan 8.230 nan 0.000 0.441 35 D N 0.371 120.608 120.400 -0.271 0.000 2.182 35 D HA -0.172 4.314 4.640 -0.256 0.000 0.201 35 D C 1.862 178.040 176.300 -0.203 0.000 0.986 35 D CA 0.956 54.877 54.000 -0.132 0.000 0.847 35 D CB -0.258 40.524 40.800 -0.029 0.000 0.942 35 D HN 0.399 nan 8.370 nan 0.000 0.467 36 N N 0.515 119.072 118.700 -0.237 0.000 2.381 36 N HA -0.073 4.513 4.740 -0.256 0.000 0.182 36 N C 2.031 177.272 175.510 -0.447 0.000 1.025 36 N CA 0.270 53.202 53.050 -0.197 0.000 0.888 36 N CB 0.132 38.658 38.487 0.065 0.000 0.965 36 N HN 0.311 nan 8.380 nan 0.000 0.438 37 I N 0.480 120.513 120.570 -0.894 0.000 2.264 37 I HA -0.280 3.736 4.170 -0.256 0.000 0.248 37 I C 1.492 177.314 176.117 -0.492 0.000 1.111 37 I CA 1.256 61.993 61.300 -0.939 0.000 1.382 37 I CB -0.281 37.038 38.000 -1.136 0.000 1.060 37 I HN 0.057 nan 8.210 nan 0.000 0.418 38 Y N 0.286 120.468 120.300 -0.196 0.000 2.516 38 Y HA -0.054 4.358 4.550 -0.229 0.000 0.291 38 Y C 2.200 178.056 175.900 -0.073 0.000 1.131 38 Y CA 0.395 58.434 58.100 -0.102 0.000 1.281 38 Y CB -0.395 38.012 38.460 -0.087 0.000 1.013 38 Y HN 0.129 nan 8.280 nan 0.000 0.554 39 E N -0.188 120.024 120.200 0.021 0.000 2.479 39 E HA 0.120 4.316 4.350 -0.256 0.000 0.193 39 E C -0.251 176.347 176.600 -0.002 0.000 1.049 39 E CA 0.190 56.599 56.400 0.015 0.000 0.870 39 E CB 0.449 30.156 29.700 0.013 0.000 0.944 39 E HN 0.051 nan 8.360 nan 0.000 0.492 40 V N 3.597 123.491 119.914 -0.033 0.000 2.328 40 V HA 0.214 4.180 4.120 -0.256 0.000 0.278 40 V C -2.336 173.752 176.094 -0.011 0.000 1.021 40 V CA -2.099 60.189 62.300 -0.020 0.000 0.838 40 V CB 1.109 32.919 31.823 -0.020 0.000 0.999 40 V HN -0.094 nan 8.190 nan 0.000 0.447 41 P HA 0.156 nan 4.420 nan 0.000 0.261 41 P C 1.019 178.325 177.300 0.010 0.000 1.183 41 P CA 1.373 64.481 63.100 0.014 0.000 0.761 41 P CB 0.453 32.161 31.700 0.014 0.000 0.785 42 G N 2.061 110.872 108.800 0.018 0.000 2.143 42 G HA2 -0.207 3.599 3.960 -0.256 0.000 0.249 42 G HA3 -0.207 3.599 3.960 -0.256 0.000 0.249 42 G C 0.048 174.938 174.900 -0.017 0.000 0.981 42 G CA -0.404 44.704 45.100 0.013 0.000 0.665 42 G HN 0.397 nan 8.290 nan 0.000 0.528 43 M N -0.030 119.547 119.600 -0.039 0.000 2.472 43 M HA 0.649 4.975 4.480 -0.256 0.000 0.331 43 M C 0.640 176.872 176.300 -0.115 0.000 1.170 43 M CA -0.564 54.674 55.300 -0.103 0.000 1.009 43 M CB 1.617 34.130 32.600 -0.145 0.000 1.672 43 M HN 0.545 nan 8.290 nan 0.000 0.453 44 R N 0.596 120.967 120.500 -0.214 0.000 2.799 44 R HA 0.582 4.768 4.340 -0.256 0.000 0.270 44 R C -1.702 174.443 176.300 -0.258 0.000 1.010 44 R CA -0.933 55.061 56.100 -0.177 0.000 0.916 44 R CB 2.048 32.164 30.300 -0.306 0.000 1.228 44 R HN 0.828 nan 8.270 nan 0.000 0.469 45 W N 2.127 123.272 121.300 -0.259 0.000 2.329 45 W HA 0.408 5.104 4.660 0.060 0.000 0.312 45 W C -0.028 176.397 176.519 -0.156 0.000 1.054 45 W CA -0.305 56.877 57.345 -0.273 0.000 1.245 45 W CB 1.816 31.188 29.460 -0.148 0.000 1.255 45 W HN 0.961 nan 8.180 nan 0.000 0.436 46 A N 4.617 126.881 122.820 -0.927 0.000 1.917 46 A HA 0.034 4.200 4.320 -0.256 0.000 0.219 46 A C 1.540 179.102 177.584 -0.035 0.000 1.182 46 A CA 1.854 53.516 52.037 -0.625 0.000 0.633 46 A CB -1.237 17.278 19.000 -0.809 0.000 0.819 46 A HN 1.612 nan 8.150 nan 0.000 0.448 47 G N -0.303 108.149 108.800 -0.579 0.000 2.417 47 G HA2 -0.217 3.589 3.960 -0.256 0.000 0.291 47 G HA3 -0.217 3.589 3.960 -0.256 0.000 0.291 47 G C -0.387 174.499 174.900 -0.023 0.000 1.094 47 G CA 0.167 45.198 45.100 -0.114 0.000 1.146 47 G HN 0.735 nan 8.290 nan 0.000 0.519 48 N N -0.272 118.352 118.700 -0.127 0.000 2.416 48 N HA 0.475 5.061 4.740 -0.256 0.000 0.246 48 N C 1.525 177.048 175.510 0.021 0.000 1.260 48 N CA 0.484 53.527 53.050 -0.011 0.000 0.897 48 N CB 0.744 39.222 38.487 -0.014 0.000 1.110 48 N HN 0.587 nan 8.380 nan 0.000 0.439 49 A N 1.070 123.896 122.820 0.011 0.000 2.132 49 A HA 0.032 4.198 4.320 -0.256 0.000 0.213 49 A C 0.254 177.843 177.584 0.009 0.000 1.154 49 A CA 0.908 52.941 52.037 -0.008 0.000 0.753 49 A CB -0.627 18.329 19.000 -0.073 0.000 0.826 49 A HN 0.881 nan 8.150 nan 0.000 0.469 50 N N -2.924 115.787 118.700 0.017 0.000 3.116 50 N HA 0.278 4.865 4.740 -0.256 0.000 0.244 50 N C -0.374 175.139 175.510 0.005 0.000 1.485 50 N CA -0.336 52.727 53.050 0.021 0.000 0.884 50 N CB 0.256 38.758 38.487 0.025 0.000 1.415 50 N HN -0.158 nan 8.380 nan 0.000 0.524 51 E N -0.346 119.855 120.200 0.001 0.000 2.106 51 E HA -0.000 4.196 4.350 -0.256 0.000 0.192 51 E C 1.417 177.959 176.600 -0.097 0.000 0.984 51 E CA 0.872 57.258 56.400 -0.022 0.000 0.806 51 E CB -0.153 29.552 29.700 0.007 0.000 0.750 51 E HN 0.502 nan 8.360 nan 0.000 0.458 52 L N 1.300 122.449 121.223 -0.123 0.000 2.012 52 L HA -0.199 3.987 4.340 -0.256 0.000 0.210 52 L C 1.358 177.995 176.870 -0.390 0.000 1.073 52 L CA 1.811 56.479 54.840 -0.286 0.000 0.748 52 L CB -0.523 41.396 42.059 -0.234 0.000 0.891 52 L HN 0.061 nan 8.230 nan 0.000 0.431 53 N N 0.226 118.848 118.700 -0.129 0.000 2.188 53 N HA -0.112 4.474 4.740 -0.256 0.000 0.184 53 N C 1.884 177.383 175.510 -0.019 0.000 1.018 53 N CA 1.498 54.560 53.050 0.019 0.000 0.858 53 N CB -0.667 37.866 38.487 0.076 0.000 0.989 53 N HN 0.518 nan 8.380 nan 0.000 0.426 54 A N 1.068 123.859 122.820 -0.049 0.000 1.892 54 A HA -0.108 4.058 4.320 -0.256 0.000 0.218 54 A C 2.362 179.858 177.584 -0.147 0.000 1.188 54 A CA 2.289 54.295 52.037 -0.051 0.000 0.631 54 A CB -0.981 18.006 19.000 -0.021 0.000 0.822 54 A HN 0.342 nan 8.150 nan 0.000 0.447 55 A N -1.605 121.114 122.820 -0.167 0.000 1.898 55 A HA -0.006 4.160 4.320 -0.256 0.000 0.216 55 A C 2.085 179.644 177.584 -0.042 0.000 1.181 55 A CA 1.521 53.456 52.037 -0.171 0.000 0.620 55 A CB -0.772 18.088 19.000 -0.233 0.000 0.819 55 A HN 0.537 nan 8.150 nan 0.000 0.442 56 Y N 0.090 120.385 120.300 -0.009 0.000 2.165 56 Y HA -0.158 4.241 4.550 -0.252 0.000 0.286 56 Y C 2.972 178.768 175.900 -0.174 0.000 1.155 56 Y CA 0.427 58.556 58.100 0.049 0.000 1.164 56 Y CB -1.185 37.300 38.460 0.042 0.000 0.978 56 Y HN 0.338 nan 8.280 nan 0.000 0.513 57 A N 0.012 122.736 122.820 -0.160 0.000 1.877 57 A HA -0.104 4.062 4.320 -0.256 0.000 0.216 57 A C 2.554 179.626 177.584 -0.855 0.000 1.186 57 A CA 2.019 53.765 52.037 -0.485 0.000 0.620 57 A CB -1.291 17.367 19.000 -0.571 0.000 0.822 57 A HN 0.383 nan 8.150 nan 0.000 0.443 58 A N -0.004 122.233 122.820 -0.971 0.000 1.917 58 A HA -0.291 3.875 4.320 -0.256 0.000 0.219 58 A C 1.967 179.471 177.584 -0.134 0.000 1.182 58 A CA 2.224 53.913 52.037 -0.580 0.000 0.633 58 A CB -0.704 18.150 19.000 -0.244 0.000 0.819 58 A HN 0.605 nan 8.150 nan 0.000 0.448 59 D N -0.481 119.905 120.400 -0.023 0.000 2.084 59 D HA -0.106 4.380 4.640 -0.256 0.000 0.194 59 D C 2.133 178.522 176.300 0.150 0.000 0.990 59 D CA 1.807 55.894 54.000 0.146 0.000 0.826 59 D CB -0.641 40.373 40.800 0.357 0.000 0.971 59 D HN 0.316 nan 8.370 nan 0.000 0.453 60 G N -0.699 108.142 108.800 0.068 0.000 2.446 60 G HA2 -0.328 3.478 3.960 -0.256 0.000 0.217 60 G HA3 -0.328 3.478 3.960 -0.256 0.000 0.217 60 G C 1.715 176.667 174.900 0.087 0.000 1.168 60 G CA 1.054 46.182 45.100 0.047 0.000 0.771 60 G HN 0.412 nan 8.290 nan 0.000 0.551 61 Y N 1.852 122.112 120.300 -0.066 0.000 2.145 61 Y HA -0.018 4.388 4.550 -0.240 0.000 0.286 61 Y C 2.982 178.899 175.900 0.028 0.000 1.145 61 Y CA 1.669 59.782 58.100 0.023 0.000 1.148 61 Y CB -0.266 38.249 38.460 0.090 0.000 0.981 61 Y HN 0.254 nan 8.280 nan 0.000 0.507 62 A N 0.449 123.404 122.820 0.226 0.000 1.933 62 A HA -0.203 3.963 4.320 -0.256 0.000 0.218 62 A C 2.239 179.832 177.584 0.015 0.000 1.175 62 A CA 1.752 53.867 52.037 0.131 0.000 0.628 62 A CB -0.618 18.457 19.000 0.125 0.000 0.814 62 A HN 0.544 nan 8.150 nan 0.000 0.444 63 R N -0.817 119.713 120.500 0.049 0.000 2.120 63 R HA -0.011 4.175 4.340 -0.256 0.000 0.234 63 R C 1.837 178.051 176.300 -0.143 0.000 1.123 63 R CA 1.386 57.526 56.100 0.066 0.000 0.975 63 R CB -0.308 30.145 30.300 0.256 0.000 0.866 63 R HN 0.502 nan 8.270 nan 0.000 0.446 64 L N -0.592 120.494 121.223 -0.228 0.000 2.253 64 L HA 0.006 4.192 4.340 -0.256 0.000 0.205 64 L C 2.087 178.756 176.870 -0.335 0.000 1.078 64 L CA 0.835 55.431 54.840 -0.406 0.000 0.805 64 L CB 0.026 41.888 42.059 -0.330 0.000 0.963 64 L HN -0.004 nan 8.230 nan 0.000 0.459 65 K N -0.772 119.442 120.400 -0.311 0.000 2.308 65 K HA 0.151 4.317 4.320 -0.256 0.000 0.197 65 K C 1.149 177.695 176.600 -0.090 0.000 1.049 65 K CA 1.011 57.144 56.287 -0.257 0.000 0.991 65 K CB 0.707 32.933 32.500 -0.457 0.000 0.836 65 K HN 0.220 nan 8.250 nan 0.000 0.500 66 G N -0.209 108.548 108.800 -0.072 0.000 2.796 66 G HA2 -0.152 3.655 3.960 -0.256 0.000 0.198 66 G HA3 -0.152 3.655 3.960 -0.256 0.000 0.198 66 G C 0.047 174.928 174.900 -0.030 0.000 1.062 66 G CA 0.104 45.164 45.100 -0.065 0.000 0.752 66 G HN 0.316 nan 8.290 nan 0.000 0.487 67 M N -0.670 119.009 119.600 0.131 0.000 2.924 67 M HA 0.813 5.139 4.480 -0.256 0.000 0.271 67 M C -0.576 175.886 176.300 0.271 0.000 1.280 67 M CA -0.134 55.267 55.300 0.168 0.000 0.813 67 M CB 1.906 34.635 32.600 0.215 0.000 1.658 67 M HN 1.106 nan 8.290 nan 0.000 0.467 68 S N -0.162 115.676 115.700 0.229 0.000 2.625 68 S HA 0.813 5.129 4.470 -0.256 0.000 0.271 68 S C -1.620 173.061 174.600 0.135 0.000 1.161 68 S CA -0.766 57.576 58.200 0.236 0.000 0.820 68 S CB 1.750 65.111 63.200 0.268 0.000 1.137 68 S HN 1.323 nan 8.310 nan 0.000 0.470 69 C N 2.166 121.530 119.300 0.108 0.000 2.446 69 C HA 0.780 5.086 4.460 -0.256 0.000 0.329 69 C C -0.606 174.469 174.990 0.142 0.000 1.166 69 C CA -0.570 58.508 59.018 0.100 0.000 1.341 69 C CB -0.464 27.313 27.740 0.062 0.000 1.970 69 C HN 0.978 nan 8.230 nan 0.000 0.452 70 I N 6.847 127.500 120.570 0.138 0.000 2.493 70 I HA 0.653 4.669 4.170 -0.256 0.000 0.298 70 I C -1.067 175.187 176.117 0.228 0.000 0.998 70 I CA -0.921 60.468 61.300 0.148 0.000 1.137 70 I CB 1.403 39.419 38.000 0.028 0.000 1.310 70 I HN 0.670 nan 8.210 nan 0.000 0.445 71 I N 6.809 127.544 120.570 0.275 0.000 2.418 71 I HA 0.344 4.360 4.170 -0.256 0.000 0.287 71 I C -0.032 176.282 176.117 0.328 0.000 1.008 71 I CA -0.317 61.174 61.300 0.317 0.000 1.104 71 I CB 1.964 40.201 38.000 0.394 0.000 1.264 71 I HN 0.610 nan 8.210 nan 0.000 0.438 72 T N 0.979 115.701 114.554 0.280 0.000 2.773 72 T HA 0.677 4.873 4.350 -0.256 0.000 0.278 72 T C -0.105 174.704 174.700 0.183 0.000 1.011 72 T CA -0.699 61.550 62.100 0.249 0.000 1.014 72 T CB 1.993 71.044 68.868 0.305 0.000 1.293 72 T HN 0.552 nan 8.240 nan 0.000 0.554 73 T N -0.920 113.741 114.554 0.177 0.000 2.888 73 T HA 0.595 4.791 4.350 -0.256 0.000 0.284 73 T C -0.319 174.527 174.700 0.243 0.000 1.017 73 T CA -0.836 61.397 62.100 0.222 0.000 1.022 73 T CB 0.745 69.735 68.868 0.203 0.000 1.013 73 T HN 0.634 nan 8.240 nan 0.000 0.465 74 F N 2.809 122.858 119.950 0.165 0.000 2.537 74 F HA 0.273 4.639 4.527 -0.269 0.000 0.402 74 F C 1.493 177.286 175.800 -0.011 0.000 1.005 74 F CA 1.898 59.967 58.000 0.115 0.000 1.203 74 F CB -0.685 38.408 39.000 0.154 0.000 0.955 74 F HN 1.319 nan 8.300 nan 0.000 0.547 75 G N 4.037 112.291 108.800 -0.911 0.000 3.377 75 G HA2 -0.365 3.441 3.960 -0.256 0.000 0.304 75 G HA3 -0.365 3.441 3.960 -0.256 0.000 0.304 75 G C 1.037 175.564 174.900 -0.621 0.000 1.366 75 G CA 1.227 45.522 45.100 -1.342 0.000 1.020 75 G HN 1.636 nan 8.290 nan 0.000 0.621 76 V N -0.082 119.655 119.914 -0.296 0.000 2.332 76 V HA 0.186 4.152 4.120 -0.256 0.000 0.248 76 V C 2.748 178.800 176.094 -0.069 0.000 1.055 76 V CA 2.971 65.192 62.300 -0.132 0.000 1.038 76 V CB -1.503 30.296 31.823 -0.041 0.000 0.651 76 V HN 1.724 nan 8.190 nan 0.000 0.450 77 G N 1.192 109.978 108.800 -0.024 0.000 2.417 77 G HA2 -0.144 3.662 3.960 -0.256 0.000 0.212 77 G HA3 -0.144 3.662 3.960 -0.256 0.000 0.212 77 G C 1.490 176.428 174.900 0.063 0.000 1.187 77 G CA 0.748 45.874 45.100 0.044 0.000 0.804 77 G HN 0.765 nan 8.290 nan 0.000 0.534 78 E N 0.510 120.747 120.200 0.063 0.000 2.077 78 E HA -0.088 4.108 4.350 -0.256 0.000 0.193 78 E C 2.366 179.034 176.600 0.113 0.000 0.989 78 E CA 0.785 57.291 56.400 0.176 0.000 0.800 78 E CB -0.520 29.262 29.700 0.138 0.000 0.746 78 E HN 0.405 nan 8.360 nan 0.000 0.452 79 L N 1.188 122.387 121.223 -0.039 0.000 2.093 79 L HA -0.116 4.070 4.340 -0.256 0.000 0.208 79 L C 2.611 179.485 176.870 0.007 0.000 1.085 79 L CA 1.125 55.954 54.840 -0.019 0.000 0.755 79 L CB -0.355 41.647 42.059 -0.095 0.000 0.904 79 L HN 0.179 nan 8.230 nan 0.000 0.435 80 S N -0.038 115.658 115.700 -0.007 0.000 2.419 80 S HA -0.139 4.178 4.470 -0.256 0.000 0.235 80 S C 1.919 176.501 174.600 -0.031 0.000 1.019 80 S CA 1.229 59.424 58.200 -0.008 0.000 0.982 80 S CB -0.137 63.060 63.200 -0.005 0.000 0.789 80 S HN 0.511 nan 8.310 nan 0.000 0.490 81 A N 0.279 123.085 122.820 -0.023 0.000 2.218 81 A HA 0.270 4.436 4.320 -0.256 0.000 0.209 81 A C 1.683 179.218 177.584 -0.083 0.000 1.168 81 A CA 0.158 52.134 52.037 -0.101 0.000 0.804 81 A CB -0.220 18.666 19.000 -0.189 0.000 0.834 81 A HN 0.328 nan 8.150 nan 0.000 0.482 82 L N 0.400 121.624 121.223 0.000 0.000 2.083 82 L HA -0.157 4.029 4.340 -0.256 0.000 0.209 82 L C 2.156 179.039 176.870 0.022 0.000 1.083 82 L CA 2.035 56.893 54.840 0.030 0.000 0.752 82 L CB -1.172 40.927 42.059 0.066 0.000 0.899 82 L HN 0.554 nan 8.230 nan 0.000 0.433 83 N N -0.390 118.344 118.700 0.056 0.000 2.166 83 N HA -0.140 4.446 4.740 -0.256 0.000 0.186 83 N C 1.910 177.503 175.510 0.139 0.000 1.019 83 N CA 1.361 54.517 53.050 0.177 0.000 0.856 83 N CB -0.318 38.310 38.487 0.236 0.000 0.993 83 N HN 0.302 nan 8.380 nan 0.000 0.426 84 G N 0.871 109.635 108.800 -0.060 0.000 2.433 84 G HA2 -0.177 3.629 3.960 -0.256 0.000 0.216 84 G HA3 -0.177 3.629 3.960 -0.256 0.000 0.216 84 G C 1.389 176.263 174.900 -0.043 0.000 1.186 84 G CA 0.828 45.896 45.100 -0.053 0.000 0.779 84 G HN 0.271 nan 8.290 nan 0.000 0.543 85 I N 1.961 122.478 120.570 -0.089 0.000 2.286 85 I HA -0.143 3.874 4.170 -0.256 0.000 0.248 85 I C 3.231 179.260 176.117 -0.147 0.000 1.115 85 I CA 1.235 62.488 61.300 -0.078 0.000 1.392 85 I CB -1.362 36.627 38.000 -0.019 0.000 1.065 85 I HN 0.267 nan 8.210 nan 0.000 0.418 86 A N 0.968 123.639 122.820 -0.249 0.000 1.930 86 A HA -0.054 4.112 4.320 -0.256 0.000 0.217 86 A C 2.505 179.501 177.584 -0.981 0.000 1.175 86 A CA 1.727 53.454 52.037 -0.518 0.000 0.627 86 A CB -1.241 17.475 19.000 -0.473 0.000 0.815 86 A HN 0.427 nan 8.150 nan 0.000 0.443 87 G N -0.930 107.214 108.800 -1.093 0.000 2.422 87 G HA2 -0.063 3.743 3.960 -0.256 0.000 0.218 87 G HA3 -0.063 3.743 3.960 -0.256 0.000 0.218 87 G C 1.740 176.355 174.900 -0.476 0.000 1.140 87 G CA 1.202 45.567 45.100 -1.226 0.000 0.775 87 G HN 0.486 nan 8.290 nan 0.000 0.545 88 S N -0.408 115.138 115.700 -0.256 0.000 2.383 88 S HA -0.097 4.219 4.470 -0.256 0.000 0.227 88 S C 1.921 176.462 174.600 -0.098 0.000 1.026 88 S CA 0.867 59.006 58.200 -0.102 0.000 0.981 88 S CB -0.404 62.783 63.200 -0.021 0.000 0.818 88 S HN 0.511 nan 8.310 nan 0.000 0.472 89 Y N 2.352 122.500 120.300 -0.253 0.000 2.181 89 Y HA -0.149 4.246 4.550 -0.258 0.000 0.288 89 Y C 2.412 178.172 175.900 -0.232 0.000 1.146 89 Y CA 1.136 59.090 58.100 -0.242 0.000 1.164 89 Y CB -0.594 37.724 38.460 -0.237 0.000 0.982 89 Y HN 0.231 nan 8.280 nan 0.000 0.515 90 A N 0.037 122.758 122.820 -0.165 0.000 1.898 90 A HA -0.123 4.044 4.320 -0.256 0.000 0.216 90 A C 1.859 179.466 177.584 0.038 0.000 1.181 90 A CA 1.699 53.692 52.037 -0.073 0.000 0.620 90 A CB -0.449 18.500 19.000 -0.084 0.000 0.819 90 A HN 0.587 nan 8.150 nan 0.000 0.442 91 E N -0.590 119.610 120.200 -0.001 0.000 2.463 91 E HA 0.059 4.255 4.350 -0.256 0.000 0.193 91 E C -0.919 175.781 176.600 0.167 0.000 1.041 91 E CA -0.199 56.242 56.400 0.069 0.000 0.879 91 E CB -0.210 29.481 29.700 -0.015 0.000 0.997 91 E HN 0.714 nan 8.360 nan 0.000 0.478 92 H N -0.313 118.695 119.070 -0.103 0.000 2.794 92 H HA -0.120 4.283 4.556 -0.256 0.000 0.334 92 H C -0.823 174.475 175.328 -0.051 0.000 1.154 92 H CA -0.026 55.980 56.048 -0.071 0.000 1.129 92 H CB -1.638 28.136 29.762 0.019 0.000 1.600 92 H HN -0.048 nan 8.280 nan 0.000 0.410 93 V N 0.432 120.353 119.914 0.012 0.000 2.487 93 V HA 0.370 4.336 4.120 -0.256 0.000 0.298 93 V C 1.069 177.164 176.094 0.002 0.000 1.028 93 V CA -0.153 62.155 62.300 0.013 0.000 0.860 93 V CB 2.074 33.926 31.823 0.048 0.000 0.991 93 V HN 0.611 nan 8.190 nan 0.000 0.427 94 G N 3.790 112.584 108.800 -0.010 0.000 2.605 94 G HA2 0.421 4.227 3.960 -0.256 0.000 0.301 94 G HA3 0.421 4.227 3.960 -0.256 0.000 0.301 94 G C -0.445 174.491 174.900 0.060 0.000 0.881 94 G CA -0.011 45.098 45.100 0.014 0.000 1.553 94 G HN 0.520 nan 8.290 nan 0.000 0.483 95 V N 4.454 124.409 119.914 0.068 0.000 2.350 95 V HA 0.215 4.181 4.120 -0.256 0.000 0.285 95 V C -0.027 176.126 176.094 0.098 0.000 1.014 95 V CA -0.931 61.416 62.300 0.079 0.000 0.831 95 V CB 1.453 33.306 31.823 0.050 0.000 1.000 95 V HN 0.600 nan 8.190 nan 0.000 0.433 96 L N 5.553 126.837 121.223 0.102 0.000 2.369 96 L HA 0.344 4.530 4.340 -0.256 0.000 0.279 96 L C 0.079 177.031 176.870 0.136 0.000 1.108 96 L CA 0.493 55.395 54.840 0.102 0.000 0.852 96 L CB 0.049 42.149 42.059 0.068 0.000 1.169 96 L HN 0.715 nan 8.230 nan 0.000 0.452 97 H N 4.842 123.916 119.070 0.007 0.000 2.685 97 H HA 0.445 4.838 4.556 -0.272 0.000 0.286 97 H C -1.196 174.053 175.328 -0.132 0.000 1.102 97 H CA -0.968 55.066 56.048 -0.022 0.000 1.254 97 H CB 0.893 30.669 29.762 0.022 0.000 1.397 97 H HN 0.485 nan 8.280 nan 0.000 0.473 98 V N 6.724 126.657 119.914 0.031 0.000 2.407 98 V HA 0.139 4.105 4.120 -0.256 0.000 0.278 98 V C -0.150 175.821 176.094 -0.205 0.000 1.037 98 V CA -0.620 61.585 62.300 -0.158 0.000 0.900 98 V CB 1.397 33.174 31.823 -0.076 0.000 0.983 98 V HN 0.488 nan 8.190 nan 0.000 0.459 99 V N 4.092 123.773 119.914 -0.388 0.000 2.378 99 V HA 0.566 4.532 4.120 -0.256 0.000 0.288 99 V C 0.776 176.803 176.094 -0.112 0.000 1.016 99 V CA -0.557 61.583 62.300 -0.267 0.000 0.840 99 V CB 1.625 33.194 31.823 -0.423 0.000 0.994 99 V HN 0.939 nan 8.190 nan 0.000 0.431 100 G N 3.985 112.795 108.800 0.017 0.000 2.358 100 G HA2 0.510 4.316 3.960 -0.256 0.000 0.273 100 G HA3 0.510 4.316 3.960 -0.256 0.000 0.273 100 G C -0.211 174.746 174.900 0.095 0.000 1.215 100 G CA 0.000 45.135 45.100 0.059 0.000 0.910 100 G HN 0.951 nan 8.290 nan 0.000 0.467 101 V N 0.789 120.655 119.914 -0.080 0.000 3.113 101 V HA 0.797 4.763 4.120 -0.256 0.000 0.316 101 V C -2.619 173.028 176.094 -0.745 0.000 1.125 101 V CA -3.076 58.990 62.300 -0.390 0.000 1.026 101 V CB 2.079 33.708 31.823 -0.323 0.000 1.080 101 V HN 0.469 nan 8.190 nan 0.000 0.444 102 P HA 0.146 nan 4.420 nan 0.000 0.265 102 P C -0.039 176.920 177.300 -0.568 0.000 1.187 102 P CA 0.437 62.827 63.100 -1.184 0.000 0.766 102 P CB 0.248 31.252 31.700 -1.161 0.000 0.820 103 S N 0.747 116.239 115.700 -0.347 0.000 2.563 103 S HA 0.127 4.443 4.470 -0.256 0.000 0.284 103 S C 0.676 175.152 174.600 -0.207 0.000 1.331 103 S CA -0.576 57.502 58.200 -0.202 0.000 1.047 103 S CB -0.104 63.034 63.200 -0.104 0.000 0.859 103 S HN 0.251 nan 8.310 nan 0.000 0.514 108 A N 3.981 126.810 122.820 0.015 0.000 3.264 108 A HA 0.233 4.399 4.320 -0.256 0.000 0.299 108 A C 1.096 178.646 177.584 -0.058 0.000 1.272 108 A CA -0.012 51.993 52.037 -0.052 0.000 1.030 108 A CB 0.019 18.973 19.000 -0.077 0.000 1.102 108 A HN 0.810 nan 8.150 nan 0.000 0.615 109 K N -0.158 120.229 120.400 -0.022 0.000 2.063 109 K HA -0.224 3.942 4.320 -0.256 0.000 0.208 109 K C 1.552 178.150 176.600 -0.003 0.000 1.048 109 K CA 1.738 58.026 56.287 0.001 0.000 0.928 109 K CB -0.009 32.494 32.500 0.006 0.000 0.713 109 K HN 0.481 nan 8.250 nan 0.000 0.442 110 Q N 0.635 120.424 119.800 -0.018 0.000 2.046 110 Q HA -0.124 4.062 4.340 -0.256 0.000 0.200 110 Q C 2.136 178.152 176.000 0.026 0.000 0.975 110 Q CA 0.823 56.652 55.803 0.043 0.000 0.836 110 Q CB -0.504 28.245 28.738 0.018 0.000 0.896 110 Q HN 0.279 nan 8.270 nan 0.000 0.428 111 L N 0.703 121.817 121.223 -0.181 0.000 2.013 111 L HA -0.181 4.005 4.340 -0.256 0.000 0.212 111 L C 2.037 178.853 176.870 -0.090 0.000 1.073 111 L CA 1.621 56.252 54.840 -0.347 0.000 0.753 111 L CB -1.049 40.558 42.059 -0.753 0.000 0.890 111 L HN 0.200 nan 8.230 nan 0.000 0.432 112 L N -1.230 119.999 121.223 0.009 0.000 2.093 112 L HA -0.178 4.008 4.340 -0.256 0.000 0.208 112 L C 2.581 179.543 176.870 0.154 0.000 1.085 112 L CA 1.407 56.358 54.840 0.185 0.000 0.755 112 L CB -1.142 41.023 42.059 0.177 0.000 0.904 112 L HN 0.319 nan 8.230 nan 0.000 0.435 113 L N -1.465 119.797 121.223 0.064 0.000 2.056 113 L HA -0.204 3.982 4.340 -0.256 0.000 0.207 113 L C 2.709 179.554 176.870 -0.043 0.000 1.078 113 L CA 0.917 55.745 54.840 -0.020 0.000 0.749 113 L CB -0.634 41.355 42.059 -0.117 0.000 0.901 113 L HN 0.331 nan 8.230 nan 0.000 0.433 114 H N -1.727 117.416 119.070 0.122 0.000 2.428 114 H HA -0.093 4.315 4.556 -0.248 0.000 0.296 114 H C 0.556 176.084 175.328 0.333 0.000 1.062 114 H CA 0.565 56.731 56.048 0.197 0.000 1.350 114 H CB -0.287 29.547 29.762 0.119 0.000 1.403 114 H HN 0.302 nan 8.280 nan 0.000 0.533 115 H N 1.376 120.672 119.070 0.376 0.000 3.253 115 H HA 0.006 4.407 4.556 -0.259 0.000 0.250 115 H C 0.327 175.860 175.328 0.341 0.000 1.051 115 H CA 0.440 56.792 56.048 0.506 0.000 1.458 115 H CB 0.345 30.418 29.762 0.518 0.000 1.549 115 H HN -0.002 nan 8.280 nan 0.000 0.506 116 T N 5.536 120.009 114.554 -0.134 0.000 3.044 116 T HA -0.038 4.158 4.350 -0.256 0.000 0.260 116 T C 1.887 176.469 174.700 -0.196 0.000 1.019 116 T CA -0.143 61.892 62.100 -0.108 0.000 0.921 116 T CB 0.068 68.968 68.868 0.052 0.000 1.053 116 T HN 0.407 nan 8.240 nan 0.000 0.533 117 L N 2.416 123.405 121.223 -0.391 0.000 2.151 117 L HA -0.041 4.145 4.340 -0.256 0.000 0.215 117 L C 1.870 178.707 176.870 -0.055 0.000 1.084 117 L CA 2.082 56.837 54.840 -0.141 0.000 0.764 117 L CB -1.009 41.029 42.059 -0.036 0.000 0.891 117 L HN 0.523 nan 8.230 nan 0.000 0.435 118 G N -1.247 107.515 108.800 -0.063 0.000 2.168 118 G HA2 -0.382 3.424 3.960 -0.256 0.000 0.257 118 G HA3 -0.382 3.424 3.960 -0.256 0.000 0.257 118 G C 0.426 175.352 174.900 0.044 0.000 0.997 118 G CA 0.625 45.735 45.100 0.017 0.000 0.708 118 G HN 0.785 nan 8.290 nan 0.000 0.520 119 N N 0.134 118.880 118.700 0.076 0.000 2.386 119 N HA 0.545 5.131 4.740 -0.256 0.000 0.291 119 N C 1.151 176.703 175.510 0.070 0.000 1.309 119 N CA 0.353 53.440 53.050 0.061 0.000 0.948 119 N CB 0.031 38.547 38.487 0.049 0.000 1.083 119 N HN 0.602 nan 8.380 nan 0.000 0.527 120 G N -1.603 107.207 108.800 0.016 0.000 4.331 120 G HA2 0.183 3.989 3.960 -0.256 0.000 0.299 120 G HA3 0.183 3.989 3.960 -0.256 0.000 0.299 120 G C -1.014 173.825 174.900 -0.102 0.000 1.158 120 G CA -0.120 44.974 45.100 -0.009 0.000 0.916 120 G HN 0.685 nan 8.290 nan 0.000 0.553 121 D N 0.024 120.345 120.400 -0.133 0.000 2.591 121 D HA 0.148 4.634 4.640 -0.256 0.000 0.222 121 D C 0.597 176.577 176.300 -0.533 0.000 1.360 121 D CA -0.836 52.944 54.000 -0.367 0.000 0.967 121 D CB 0.649 41.278 40.800 -0.285 0.000 1.456 121 D HN -0.004 nan 8.370 nan 0.000 0.588 122 F N 1.420 121.080 119.950 -0.484 0.000 2.797 122 F HA 0.177 4.551 4.527 -0.254 0.000 0.302 122 F C 1.685 177.300 175.800 -0.309 0.000 1.130 122 F CA 0.432 58.007 58.000 -0.709 0.000 1.387 122 F CB -0.929 37.842 39.000 -0.382 0.000 1.107 122 F HN 0.228 nan 8.300 nan 0.000 0.577 123 T N -3.196 111.311 114.554 -0.079 0.000 3.129 123 T HA 0.056 4.252 4.350 -0.256 0.000 0.251 123 T C 1.826 176.462 174.700 -0.107 0.000 1.117 123 T CA 0.685 62.814 62.100 0.049 0.000 1.034 123 T CB -0.587 68.246 68.868 -0.058 0.000 0.968 123 T HN 0.208 nan 8.240 nan 0.000 0.526 124 V N 1.037 120.756 119.914 -0.325 0.000 2.287 124 V HA -0.121 3.846 4.120 -0.256 0.000 0.248 124 V C 2.005 177.937 176.094 -0.270 0.000 1.053 124 V CA 1.852 63.929 62.300 -0.373 0.000 1.027 124 V CB -0.842 30.683 31.823 -0.497 0.000 0.646 124 V HN 0.521 nan 8.190 nan 0.000 0.447 125 F N 0.269 120.250 119.950 0.050 0.000 2.146 125 F HA -0.053 4.323 4.527 -0.251 0.000 0.298 125 F C 2.379 178.179 175.800 -0.000 0.000 1.096 125 F CA 1.807 59.827 58.000 0.032 0.000 1.275 125 F CB -1.520 37.487 39.000 0.012 0.000 1.008 125 F HN 0.378 nan 8.300 nan 0.000 0.480 126 H N 0.678 119.756 119.070 0.014 0.000 2.319 126 H HA -0.133 4.273 4.556 -0.250 0.000 0.299 126 H C 2.389 177.513 175.328 -0.339 0.000 1.092 126 H CA 1.664 57.497 56.048 -0.357 0.000 1.302 126 H CB 0.070 29.774 29.762 -0.096 0.000 1.373 126 H HN 0.132 nan 8.280 nan 0.000 0.497 127 R N -0.220 120.195 120.500 -0.142 0.000 2.115 127 R HA -0.109 4.078 4.340 -0.256 0.000 0.230 127 R C 2.562 178.781 176.300 -0.135 0.000 1.111 127 R CA 1.473 57.447 56.100 -0.211 0.000 0.976 127 R CB -0.125 30.053 30.300 -0.203 0.000 0.870 127 R HN 0.436 nan 8.270 nan 0.000 0.445 128 M N 0.080 119.638 119.600 -0.071 0.000 2.086 128 M HA -0.150 4.176 4.480 -0.256 0.000 0.261 128 M C 2.249 178.512 176.300 -0.061 0.000 1.067 128 M CA 1.592 56.874 55.300 -0.031 0.000 1.116 128 M CB -0.144 32.490 32.600 0.056 0.000 1.348 128 M HN 0.015 nan 8.290 nan 0.000 0.407 129 S N -0.013 115.627 115.700 -0.101 0.000 2.419 129 S HA -0.100 4.216 4.470 -0.256 0.000 0.233 129 S C 1.984 176.496 174.600 -0.147 0.000 1.016 129 S CA 1.230 59.356 58.200 -0.124 0.000 0.974 129 S CB -0.243 62.827 63.200 -0.217 0.000 0.786 129 S HN 0.408 nan 8.310 nan 0.000 0.492 130 S N 2.316 117.916 115.700 -0.167 0.000 2.402 130 S HA -0.098 4.218 4.470 -0.256 0.000 0.233 130 S C 1.679 176.185 174.600 -0.157 0.000 1.030 130 S CA 0.842 58.964 58.200 -0.130 0.000 1.003 130 S CB -0.394 62.721 63.200 -0.141 0.000 0.813 130 S HN 0.549 nan 8.310 nan 0.000 0.477 131 N N 1.533 120.127 118.700 -0.175 0.000 2.381 131 N HA -0.039 4.547 4.740 -0.256 0.000 0.182 131 N C 1.164 176.415 175.510 -0.431 0.000 1.025 131 N CA 1.101 54.018 53.050 -0.221 0.000 0.888 131 N CB -0.098 38.299 38.487 -0.150 0.000 0.965 131 N HN 0.614 nan 8.380 nan 0.000 0.438 132 I N -3.071 117.228 120.570 -0.450 0.000 3.658 132 I HA 0.355 4.371 4.170 -0.256 0.000 0.328 132 I C -0.615 175.204 176.117 -0.497 0.000 1.567 132 I CA -0.399 60.464 61.300 -0.728 0.000 1.078 132 I CB 0.491 38.267 38.000 -0.373 0.000 1.267 132 I HN -0.290 nan 8.210 nan 0.000 0.495 133 S N 0.859 116.365 115.700 -0.323 0.000 2.526 133 S HA 0.291 4.607 4.470 -0.256 0.000 0.293 133 S C 0.597 175.281 174.600 0.140 0.000 1.092 133 S CA -0.443 57.772 58.200 0.024 0.000 0.980 133 S CB 2.823 66.068 63.200 0.076 0.000 1.048 133 S HN 0.360 nan 8.310 nan 0.000 0.483 134 E N 2.366 122.710 120.200 0.240 0.000 2.031 134 E HA -0.080 4.116 4.350 -0.256 0.000 0.193 134 E C 0.663 177.339 176.600 0.126 0.000 0.994 134 E CA 1.732 58.245 56.400 0.190 0.000 0.800 134 E CB 0.074 29.851 29.700 0.129 0.000 0.752 134 E HN 0.778 nan 8.360 nan 0.000 0.447 135 T N -2.257 112.370 114.554 0.121 0.000 2.831 135 T HA 0.617 4.813 4.350 -0.256 0.000 0.287 135 T C -0.226 174.561 174.700 0.144 0.000 1.070 135 T CA -0.453 61.714 62.100 0.112 0.000 1.010 135 T CB 1.435 70.364 68.868 0.102 0.000 1.264 135 T HN 0.214 nan 8.240 nan 0.000 0.532 136 T N -2.426 112.225 114.554 0.162 0.000 2.901 136 T HA 0.842 5.038 4.350 -0.256 0.000 0.293 136 T C -1.132 173.685 174.700 0.194 0.000 1.084 136 T CA -0.878 61.364 62.100 0.236 0.000 1.008 136 T CB 1.661 70.728 68.868 0.333 0.000 1.170 136 T HN 1.318 nan 8.240 nan 0.000 0.509 137 A N 1.689 124.605 122.820 0.160 0.000 2.520 137 A HA 0.780 4.946 4.320 -0.256 0.000 0.298 137 A C -1.063 176.526 177.584 0.008 0.000 1.051 137 A CA -0.879 51.210 52.037 0.086 0.000 0.690 137 A CB 1.894 20.921 19.000 0.045 0.000 1.281 137 A HN 0.989 nan 8.150 nan 0.000 0.402 138 M N 3.524 123.139 119.600 0.025 0.000 2.085 138 M HA 0.521 4.848 4.480 -0.256 0.000 0.309 138 M C -1.429 174.867 176.300 -0.008 0.000 0.947 138 M CA -0.484 54.806 55.300 -0.016 0.000 0.918 138 M CB 0.489 33.120 32.600 0.051 0.000 1.504 138 M HN 0.567 nan 8.290 nan 0.000 0.420 139 I N 4.732 125.276 120.570 -0.043 0.000 2.496 139 I HA 0.214 4.231 4.170 -0.256 0.000 0.285 139 I C 0.644 176.733 176.117 -0.048 0.000 1.080 139 I CA 0.146 61.420 61.300 -0.043 0.000 1.404 139 I CB 1.041 39.005 38.000 -0.059 0.000 1.403 139 I HN 0.901 nan 8.210 nan 0.000 0.539 140 T N -0.588 113.944 114.554 -0.037 0.000 2.986 140 T HA 0.124 4.320 4.350 -0.256 0.000 0.264 140 T C 0.052 174.727 174.700 -0.042 0.000 0.964 140 T CA -0.258 61.817 62.100 -0.041 0.000 0.895 140 T CB 0.346 69.199 68.868 -0.024 0.000 1.163 140 T HN 0.496 nan 8.240 nan 0.000 0.517 141 D N 0.388 120.764 120.400 -0.041 0.000 2.620 141 D HA 0.378 4.864 4.640 -0.256 0.000 0.252 141 D C 0.743 177.010 176.300 -0.055 0.000 1.207 141 D CA -0.908 53.067 54.000 -0.042 0.000 0.884 141 D CB 1.676 42.457 40.800 -0.032 0.000 1.262 141 D HN -0.051 nan 8.370 nan 0.000 0.552 142 I N 3.963 124.498 120.570 -0.059 0.000 2.248 142 I HA -0.224 3.792 4.170 -0.256 0.000 0.248 142 I C 1.456 177.523 176.117 -0.084 0.000 1.107 142 I CA 1.406 62.661 61.300 -0.074 0.000 1.373 142 I CB -0.102 37.858 38.000 -0.066 0.000 1.055 142 I HN 0.440 nan 8.210 nan 0.000 0.418 143 N N -0.520 118.141 118.700 -0.065 0.000 2.409 143 N HA -0.060 4.526 4.740 -0.256 0.000 0.179 143 N C 1.513 176.985 175.510 -0.064 0.000 1.032 143 N CA 1.655 54.668 53.050 -0.062 0.000 0.898 143 N CB -0.137 38.324 38.487 -0.044 0.000 0.971 143 N HN 0.570 nan 8.380 nan 0.000 0.441 144 T N -3.207 111.311 114.554 -0.059 0.000 3.023 144 T HA 0.406 4.603 4.350 -0.256 0.000 0.253 144 T C 1.853 176.514 174.700 -0.065 0.000 1.038 144 T CA 0.216 62.285 62.100 -0.051 0.000 0.962 144 T CB 0.392 69.242 68.868 -0.029 0.000 1.018 144 T HN 0.039 nan 8.240 nan 0.000 0.521 145 A N 3.094 125.860 122.820 -0.091 0.000 1.877 145 A HA 0.119 4.285 4.320 -0.256 0.000 0.216 145 A C 0.139 177.641 177.584 -0.137 0.000 1.186 145 A CA 1.199 53.175 52.037 -0.102 0.000 0.620 145 A CB -1.617 17.315 19.000 -0.115 0.000 0.822 145 A HN 0.436 nan 8.150 nan 0.000 0.443 146 P HA -0.185 nan 4.420 nan 0.000 0.215 146 P C 1.759 179.035 177.300 -0.041 0.000 1.157 146 P CA 2.169 65.063 63.100 -0.343 0.000 0.874 146 P CB -0.156 31.227 31.700 -0.529 0.000 0.790 147 A N -0.402 122.397 122.820 -0.035 0.000 1.933 147 A HA -0.214 3.953 4.320 -0.256 0.000 0.218 147 A C 2.260 179.860 177.584 0.027 0.000 1.175 147 A CA 1.545 53.592 52.037 0.015 0.000 0.628 147 A CB -1.055 17.946 19.000 0.002 0.000 0.814 147 A HN 0.065 nan 8.150 nan 0.000 0.444 148 E N -0.111 120.094 120.200 0.008 0.000 2.047 148 E HA -0.161 4.035 4.350 -0.256 0.000 0.191 148 E C 2.045 178.661 176.600 0.027 0.000 0.987 148 E CA 1.330 57.738 56.400 0.015 0.000 0.799 148 E CB -0.507 29.192 29.700 -0.001 0.000 0.752 148 E HN 0.802 nan 8.360 nan 0.000 0.449 149 I N 0.719 121.310 120.570 0.035 0.000 2.208 149 I HA -0.273 3.743 4.170 -0.256 0.000 0.245 149 I C 1.459 177.619 176.117 0.071 0.000 1.097 149 I CA 1.867 63.202 61.300 0.058 0.000 1.363 149 I CB -0.086 37.965 38.000 0.086 0.000 1.051 149 I HN -0.162 nan 8.210 nan 0.000 0.413 150 D N 0.914 121.376 120.400 0.102 0.000 2.117 150 D HA -0.218 4.268 4.640 -0.256 0.000 0.197 150 D C 2.264 178.594 176.300 0.051 0.000 0.987 150 D CA 1.413 55.457 54.000 0.073 0.000 0.829 150 D CB -0.346 40.507 40.800 0.087 0.000 0.961 150 D HN 0.452 nan 8.370 nan 0.000 0.460 151 R N 0.087 120.618 120.500 0.052 0.000 2.075 151 R HA -0.089 4.097 4.340 -0.256 0.000 0.232 151 R C 2.053 178.387 176.300 0.058 0.000 1.126 151 R CA 1.302 57.434 56.100 0.053 0.000 0.963 151 R CB -0.513 29.817 30.300 0.049 0.000 0.858 151 R HN 0.171 nan 8.270 nan 0.000 0.435 152 C N 0.296 119.627 119.300 0.052 0.000 2.425 152 C HA -0.016 4.291 4.460 -0.256 0.000 0.277 152 C C 2.549 177.575 174.990 0.060 0.000 1.280 152 C CA 0.479 59.530 59.018 0.055 0.000 1.744 152 C CB -0.722 27.039 27.740 0.035 0.000 1.989 152 C HN 0.526 nan 8.230 nan 0.000 0.491 153 I N 0.260 120.858 120.570 0.047 0.000 2.193 153 I HA -0.172 3.844 4.170 -0.256 0.000 0.240 153 I C 2.835 179.002 176.117 0.083 0.000 1.084 153 I CA 1.359 62.690 61.300 0.050 0.000 1.365 153 I CB -0.602 37.404 38.000 0.010 0.000 1.064 153 I HN 0.283 nan 8.210 nan 0.000 0.410 154 R N 0.638 121.177 120.500 0.065 0.000 2.112 154 R HA -0.226 3.960 4.340 -0.256 0.000 0.242 154 R C 2.220 178.601 176.300 0.135 0.000 1.137 154 R CA 2.542 58.696 56.100 0.090 0.000 0.944 154 R CB -0.523 29.816 30.300 0.065 0.000 0.857 154 R HN 0.280 nan 8.270 nan 0.000 0.435 155 T N 0.122 114.742 114.554 0.109 0.000 2.746 155 T HA -0.120 4.076 4.350 -0.256 0.000 0.267 155 T C 1.750 176.521 174.700 0.120 0.000 1.039 155 T CA 1.899 64.066 62.100 0.111 0.000 1.142 155 T CB -0.425 68.500 68.868 0.094 0.000 0.866 155 T HN 0.434 nan 8.240 nan 0.000 0.444 156 T N 0.878 115.505 114.554 0.122 0.000 2.665 156 T HA -0.167 4.029 4.350 -0.256 0.000 0.268 156 T C 1.602 176.374 174.700 0.120 0.000 1.035 156 T CA 1.591 63.761 62.100 0.116 0.000 1.151 156 T CB -0.539 68.400 68.868 0.119 0.000 0.862 156 T HN 0.484 nan 8.240 nan 0.000 0.438 157 Y N 0.921 121.243 120.300 0.037 0.000 2.184 157 Y HA -0.071 4.323 4.550 -0.259 0.000 0.290 157 Y C 2.412 178.329 175.900 0.028 0.000 1.129 157 Y CA 0.874 58.989 58.100 0.024 0.000 1.144 157 Y CB -0.400 38.074 38.460 0.024 0.000 0.995 157 Y HN -0.052 nan 8.280 nan 0.000 0.513 158 V N -0.422 119.625 119.914 0.221 0.000 2.379 158 V HA -0.212 3.754 4.120 -0.256 0.000 0.245 158 V C 2.431 178.602 176.094 0.129 0.000 1.044 158 V CA 2.073 64.477 62.300 0.174 0.000 1.036 158 V CB -0.541 31.399 31.823 0.194 0.000 0.664 158 V HN 0.618 nan 8.190 nan 0.000 0.453 159 S N -1.751 114.020 115.700 0.118 0.000 2.503 159 S HA -0.059 4.257 4.470 -0.256 0.000 0.217 159 S C 0.990 175.683 174.600 0.154 0.000 0.999 159 S CA 0.050 58.330 58.200 0.134 0.000 0.914 159 S CB -0.024 63.228 63.200 0.087 0.000 0.782 159 S HN 0.548 nan 8.310 nan 0.000 0.520 160 Q N 0.816 120.645 119.800 0.047 0.000 2.451 160 Q HA -0.128 4.058 4.340 -0.256 0.000 0.305 160 Q C -0.748 175.234 176.000 -0.030 0.000 1.345 160 Q CA 0.912 56.692 55.803 -0.037 0.000 0.854 160 Q CB -1.344 27.284 28.738 -0.183 0.000 1.162 160 Q HN 0.690 nan 8.270 nan 0.000 0.440 161 R N -0.830 119.651 120.500 -0.031 0.000 2.774 161 R HA 0.522 4.708 4.340 -0.256 0.000 0.272 161 R C -2.619 173.711 176.300 0.050 0.000 1.000 161 R CA -2.115 53.947 56.100 -0.064 0.000 0.906 161 R CB 1.420 31.611 30.300 -0.181 0.000 1.227 161 R HN -0.157 nan 8.270 nan 0.000 0.468 162 P HA 0.033 nan 4.420 nan 0.000 0.267 162 P C -0.700 176.694 177.300 0.156 0.000 1.200 162 P CA -0.024 63.155 63.100 0.131 0.000 0.772 162 P CB 0.541 32.327 31.700 0.143 0.000 0.855 163 V N 3.617 123.623 119.914 0.153 0.000 2.656 163 V HA 0.304 4.270 4.120 -0.256 0.000 0.307 163 V C -0.890 175.318 176.094 0.189 0.000 1.051 163 V CA -0.655 61.740 62.300 0.159 0.000 0.893 163 V CB 1.756 33.650 31.823 0.118 0.000 0.999 163 V HN 0.394 nan 8.190 nan 0.000 0.426 164 Y N 5.378 125.709 120.300 0.053 0.000 2.335 164 Y HA 0.718 5.125 4.550 -0.238 0.000 0.339 164 Y C -0.798 175.064 175.900 -0.063 0.000 0.987 164 Y CA -0.677 57.420 58.100 -0.005 0.000 1.140 164 Y CB 1.511 39.968 38.460 -0.006 0.000 1.173 164 Y HN 0.572 nan 8.280 nan 0.000 0.486 165 L N 7.002 127.976 121.223 -0.416 0.000 2.345 165 L HA 0.661 4.847 4.340 -0.256 0.000 0.274 165 L C -0.315 176.277 176.870 -0.462 0.000 0.999 165 L CA -0.305 54.352 54.840 -0.306 0.000 0.849 165 L CB 1.180 43.145 42.059 -0.158 0.000 1.220 165 L HN 0.780 nan 8.230 nan 0.000 0.422 166 G N 5.120 113.703 108.800 -0.361 0.000 2.327 166 G HA2 0.500 4.307 3.960 -0.256 0.000 0.302 166 G HA3 0.500 4.307 3.960 -0.256 0.000 0.302 166 G C -1.067 173.732 174.900 -0.167 0.000 1.113 166 G CA -0.335 44.600 45.100 -0.275 0.000 0.921 166 G HN 0.406 nan 8.290 nan 0.000 0.425 167 L N 5.177 126.309 121.223 -0.152 0.000 2.301 167 L HA 0.397 4.583 4.340 -0.256 0.000 0.278 167 L C -2.107 174.699 176.870 -0.106 0.000 1.022 167 L CA -2.373 52.399 54.840 -0.113 0.000 0.854 167 L CB 1.855 43.855 42.059 -0.100 0.000 1.226 167 L HN 0.287 nan 8.230 nan 0.000 0.429 168 P HA 0.096 nan 4.420 nan 0.000 0.268 168 P C 0.392 177.637 177.300 -0.091 0.000 1.205 168 P CA -0.024 62.989 63.100 -0.145 0.000 0.771 168 P CB 0.925 32.534 31.700 -0.152 0.000 0.858 169 A N 4.331 127.109 122.820 -0.070 0.000 1.948 169 A HA -0.253 3.913 4.320 -0.256 0.000 0.220 169 A C 1.821 179.391 177.584 -0.024 0.000 1.177 169 A CA 2.123 54.157 52.037 -0.006 0.000 0.636 169 A CB -1.263 17.780 19.000 0.072 0.000 0.815 169 A HN 0.730 nan 8.150 nan 0.000 0.449 170 N N 0.150 118.823 118.700 -0.046 0.000 2.409 170 N HA -0.044 4.542 4.740 -0.256 0.000 0.179 170 N C 1.537 177.023 175.510 -0.041 0.000 1.032 170 N CA 1.158 54.185 53.050 -0.038 0.000 0.898 170 N CB -0.430 38.031 38.487 -0.044 0.000 0.971 170 N HN 0.518 nan 8.380 nan 0.000 0.441 171 L N 1.109 122.301 121.223 -0.052 0.000 2.131 171 L HA -0.018 4.168 4.340 -0.256 0.000 0.206 171 L C 2.632 179.476 176.870 -0.043 0.000 1.087 171 L CA 0.823 55.632 54.840 -0.052 0.000 0.767 171 L CB -0.524 41.497 42.059 -0.065 0.000 0.917 171 L HN 0.096 nan 8.230 nan 0.000 0.441 172 V N -1.833 118.060 119.914 -0.035 0.000 2.568 172 V HA -0.237 3.729 4.120 -0.256 0.000 0.253 172 V C 1.656 177.746 176.094 -0.007 0.000 1.072 172 V CA 2.097 64.385 62.300 -0.020 0.000 1.084 172 V CB -0.505 31.313 31.823 -0.008 0.000 0.676 172 V HN 0.371 nan 8.190 nan 0.000 0.469 173 D N 0.055 120.449 120.400 -0.011 0.000 2.305 173 D HA 0.172 4.658 4.640 -0.256 0.000 0.206 173 D C 0.764 177.057 176.300 -0.011 0.000 0.974 173 D CA 0.108 54.104 54.000 -0.006 0.000 0.871 173 D CB -0.070 40.725 40.800 -0.008 0.000 0.947 173 D HN 0.383 nan 8.370 nan 0.000 0.516 174 L N 1.481 122.691 121.223 -0.022 0.000 2.467 174 L HA 0.134 4.320 4.340 -0.256 0.000 0.270 174 L C 1.222 178.075 176.870 -0.028 0.000 1.205 174 L CA 0.099 54.922 54.840 -0.027 0.000 0.828 174 L CB 0.305 42.341 42.059 -0.038 0.000 1.101 174 L HN -0.010 nan 8.230 nan 0.000 0.479 175 T N -0.343 114.194 114.554 -0.028 0.000 2.943 175 T HA 0.814 5.010 4.350 -0.256 0.000 0.284 175 T C -0.263 174.408 174.700 -0.048 0.000 1.015 175 T CA -0.655 61.429 62.100 -0.025 0.000 1.042 175 T CB 1.749 70.610 68.868 -0.011 0.000 1.055 175 T HN 0.569 nan 8.240 nan 0.000 0.500 176 V N -2.348 117.535 119.914 -0.052 0.000 3.078 176 V HA 0.785 4.751 4.120 -0.256 0.000 0.311 176 V C -3.276 172.799 176.094 -0.033 0.000 1.138 176 V CA -3.330 58.920 62.300 -0.083 0.000 1.007 176 V CB 1.563 33.266 31.823 -0.201 0.000 1.045 176 V HN 0.714 nan 8.190 nan 0.000 0.432 177 P HA 0.311 nan 4.420 nan 0.000 0.271 177 P C 0.679 178.006 177.300 0.045 0.000 1.226 177 P CA 0.426 63.530 63.100 0.007 0.000 0.765 177 P CB 1.218 32.918 31.700 0.000 0.000 0.835 178 A N 3.618 126.471 122.820 0.055 0.000 2.019 178 A HA -0.182 3.984 4.320 -0.256 0.000 0.219 178 A C 2.117 179.747 177.584 0.077 0.000 1.164 178 A CA 2.076 54.161 52.037 0.079 0.000 0.644 178 A CB -1.489 17.544 19.000 0.054 0.000 0.805 178 A HN 0.577 nan 8.150 nan 0.000 0.449 179 S N -0.046 115.687 115.700 0.054 0.000 2.469 179 S HA -0.075 4.241 4.470 -0.256 0.000 0.238 179 S C 1.720 176.356 174.600 0.060 0.000 0.998 179 S CA 1.182 59.409 58.200 0.045 0.000 0.957 179 S CB -0.769 62.448 63.200 0.029 0.000 0.764 179 S HN 0.494 nan 8.310 nan 0.000 0.514 180 L N 0.546 121.826 121.223 0.095 0.000 2.127 180 L HA -0.056 4.130 4.340 -0.256 0.000 0.211 180 L C 2.425 179.377 176.870 0.137 0.000 1.089 180 L CA 1.192 56.113 54.840 0.135 0.000 0.757 180 L CB -0.677 41.508 42.059 0.210 0.000 0.899 180 L HN 0.348 nan 8.230 nan 0.000 0.434 181 L N -0.519 120.772 121.223 0.115 0.000 2.362 181 L HA -0.174 4.013 4.340 -0.256 0.000 0.219 181 L C 1.671 178.542 176.870 0.001 0.000 1.134 181 L CA 0.577 55.425 54.840 0.013 0.000 0.807 181 L CB -0.532 41.512 42.059 -0.025 0.000 0.927 181 L HN 0.288 nan 8.230 nan 0.000 0.447 182 D N -0.692 119.720 120.400 0.020 0.000 2.347 182 D HA -0.031 4.456 4.640 -0.256 0.000 0.215 182 D C 0.564 176.869 176.300 0.008 0.000 0.976 182 D CA 0.694 54.700 54.000 0.011 0.000 0.884 182 D CB 0.116 40.925 40.800 0.015 0.000 0.915 182 D HN 0.210 nan 8.370 nan 0.000 0.526 183 T N 2.825 117.388 114.554 0.015 0.000 2.756 183 T HA 0.379 4.575 4.350 -0.256 0.000 0.290 183 T C -2.412 172.290 174.700 0.002 0.000 0.985 183 T CA -1.523 60.584 62.100 0.012 0.000 0.955 183 T CB 2.198 71.079 68.868 0.022 0.000 0.930 183 T HN -0.124 nan 8.240 nan 0.000 0.451 184 P HA 0.280 nan 4.420 nan 0.000 0.272 184 P C -0.063 177.223 177.300 -0.023 0.000 1.230 184 P CA -0.634 62.450 63.100 -0.028 0.000 0.788 184 P CB 0.506 32.187 31.700 -0.032 0.000 0.949 185 I N 1.301 121.846 120.570 -0.042 0.000 2.618 185 I HA -0.016 4.000 4.170 -0.256 0.000 0.284 185 I C 0.908 177.002 176.117 -0.039 0.000 1.146 185 I CA 0.105 61.385 61.300 -0.034 0.000 1.425 185 I CB -0.002 37.965 38.000 -0.054 0.000 1.383 185 I HN 0.305 nan 8.210 nan 0.000 0.562 186 D N 7.003 127.397 120.400 -0.010 0.000 2.358 186 D HA 0.128 4.614 4.640 -0.256 0.000 0.258 186 D C 0.422 176.721 176.300 -0.002 0.000 1.223 186 D CA 0.327 54.328 54.000 0.002 0.000 0.886 186 D CB 0.821 41.637 40.800 0.027 0.000 1.120 186 D HN 0.389 nan 8.370 nan 0.000 0.482 187 L N 2.367 123.575 121.223 -0.025 0.000 2.766 187 L HA 0.102 4.288 4.340 -0.256 0.000 0.242 187 L C 0.860 177.790 176.870 0.099 0.000 1.136 187 L CA -0.200 54.619 54.840 -0.035 0.000 0.933 187 L CB 0.054 41.925 42.059 -0.313 0.000 1.241 187 L HN 0.318 nan 8.230 nan 0.000 0.522 188 S N 0.769 116.528 115.700 0.098 0.000 2.564 188 S HA 0.358 4.674 4.470 -0.256 0.000 0.278 188 S C -0.025 174.682 174.600 0.178 0.000 1.333 188 S CA -0.570 57.723 58.200 0.155 0.000 1.048 188 S CB 0.943 64.230 63.200 0.145 0.000 0.900 188 S HN 0.119 nan 8.310 nan 0.000 0.505 189 L N 2.446 123.793 121.223 0.208 0.000 2.467 189 L HA 0.230 4.416 4.340 -0.256 0.000 0.270 189 L C 0.983 178.026 176.870 0.289 0.000 1.205 189 L CA -0.449 54.499 54.840 0.180 0.000 0.828 189 L CB 0.371 42.420 42.059 -0.016 0.000 1.101 189 L HN 0.648 nan 8.230 nan 0.000 0.479 190 K N 2.685 123.220 120.400 0.225 0.000 2.401 190 K HA 0.197 4.363 4.320 -0.256 0.000 0.278 190 K C -2.209 174.594 176.600 0.338 0.000 1.018 190 K CA -1.500 54.917 56.287 0.218 0.000 0.981 190 K CB 0.221 32.809 32.500 0.147 0.000 0.933 190 K HN 0.242 nan 8.250 nan 0.000 0.477 191 P HA -0.036 nan 4.420 nan 0.000 0.267 191 P C -0.197 177.225 177.300 0.203 0.000 1.201 191 P CA 0.040 63.219 63.100 0.132 0.000 0.775 191 P CB 0.417 32.104 31.700 -0.022 0.000 0.854 192 N N 1.024 119.856 118.700 0.219 0.000 2.444 192 N HA 0.029 4.615 4.740 -0.256 0.000 0.255 192 N C -0.177 175.395 175.510 0.104 0.000 1.255 192 N CA 0.007 53.171 53.050 0.190 0.000 0.933 192 N CB -0.176 38.436 38.487 0.208 0.000 1.143 192 N HN 0.428 nan 8.380 nan 0.000 0.453 193 D N 0.580 121.042 120.400 0.104 0.000 2.401 193 D HA 0.111 4.597 4.640 -0.256 0.000 0.254 193 D C -1.640 174.697 176.300 0.062 0.000 1.192 193 D CA -1.299 52.748 54.000 0.078 0.000 0.885 193 D CB 0.835 41.688 40.800 0.088 0.000 1.147 193 D HN 0.235 nan 8.370 nan 0.000 0.478 194 P HA -0.145 nan 4.420 nan 0.000 0.216 194 P C 0.857 178.177 177.300 0.033 0.000 1.150 194 P CA 0.977 64.093 63.100 0.027 0.000 0.837 194 P CB 0.282 31.990 31.700 0.014 0.000 0.786 195 E N -0.538 119.688 120.200 0.042 0.000 2.076 195 E HA -0.048 4.148 4.350 -0.256 0.000 0.190 195 E C 2.118 178.756 176.600 0.063 0.000 0.979 195 E CA 1.281 57.709 56.400 0.047 0.000 0.807 195 E CB -1.092 28.638 29.700 0.049 0.000 0.761 195 E HN 0.149 nan 8.360 nan 0.000 0.454 196 A N 1.595 124.468 122.820 0.089 0.000 1.902 196 A HA -0.220 3.946 4.320 -0.256 0.000 0.217 196 A C 2.160 179.770 177.584 0.045 0.000 1.181 196 A CA 1.751 53.866 52.037 0.131 0.000 0.623 196 A CB -0.503 18.607 19.000 0.183 0.000 0.818 196 A HN 0.306 nan 8.150 nan 0.000 0.443 197 E N -0.387 119.840 120.200 0.044 0.000 2.077 197 E HA -0.277 3.920 4.350 -0.256 0.000 0.193 197 E C 1.964 178.551 176.600 -0.022 0.000 0.989 197 E CA 1.547 57.959 56.400 0.019 0.000 0.800 197 E CB -0.112 29.622 29.700 0.056 0.000 0.746 197 E HN 0.588 nan 8.360 nan 0.000 0.452 198 E N 1.128 121.324 120.200 -0.006 0.000 2.072 198 E HA -0.224 3.972 4.350 -0.256 0.000 0.191 198 E C 1.849 178.426 176.600 -0.038 0.000 0.985 198 E CA 1.697 58.090 56.400 -0.011 0.000 0.801 198 E CB -0.181 29.522 29.700 0.005 0.000 0.750 198 E HN 0.381 nan 8.360 nan 0.000 0.452 199 E N -0.519 119.653 120.200 -0.047 0.000 2.051 199 E HA -0.167 4.029 4.350 -0.256 0.000 0.192 199 E C 2.040 178.497 176.600 -0.238 0.000 0.991 199 E CA 1.527 57.883 56.400 -0.074 0.000 0.799 199 E CB -0.022 29.697 29.700 0.031 0.000 0.748 199 E HN 0.197 nan 8.360 nan 0.000 0.449 200 V N 1.445 121.103 119.914 -0.428 0.000 2.255 200 V HA -0.289 3.677 4.120 -0.256 0.000 0.247 200 V C 2.387 178.338 176.094 -0.237 0.000 1.051 200 V CA 1.464 63.422 62.300 -0.569 0.000 1.018 200 V CB -0.408 31.102 31.823 -0.522 0.000 0.641 200 V HN 0.384 nan 8.190 nan 0.000 0.445 201 I N -0.038 120.468 120.570 -0.107 0.000 2.163 201 I HA -0.234 3.783 4.170 -0.256 0.000 0.243 201 I C 2.511 178.618 176.117 -0.017 0.000 1.085 201 I CA 1.589 62.879 61.300 -0.016 0.000 1.347 201 I CB -1.435 36.570 38.000 0.008 0.000 1.044 201 I HN 0.468 nan 8.210 nan 0.000 0.408 202 E N 0.721 120.903 120.200 -0.030 0.000 2.070 202 E HA -0.256 3.940 4.350 -0.256 0.000 0.197 202 E C 1.936 178.528 176.600 -0.013 0.000 1.004 202 E CA 1.578 57.970 56.400 -0.014 0.000 0.805 202 E CB -0.142 29.553 29.700 -0.009 0.000 0.744 202 E HN 0.506 nan 8.360 nan 0.000 0.451 203 N N 0.299 118.974 118.700 -0.041 0.000 2.084 203 N HA -0.132 4.454 4.740 -0.256 0.000 0.190 203 N C 1.981 177.482 175.510 -0.016 0.000 1.030 203 N CA 0.987 54.021 53.050 -0.026 0.000 0.849 203 N CB -0.641 37.819 38.487 -0.046 0.000 1.012 203 N HN -0.001 nan 8.380 nan 0.000 0.423 204 V N 1.761 121.658 119.914 -0.028 0.000 2.287 204 V HA -0.206 3.760 4.120 -0.256 0.000 0.248 204 V C 2.391 178.515 176.094 0.050 0.000 1.053 204 V CA 1.346 63.657 62.300 0.018 0.000 1.027 204 V CB -0.722 31.142 31.823 0.068 0.000 0.646 204 V HN 0.231 nan 8.190 nan 0.000 0.447 205 L N -0.426 120.823 121.223 0.044 0.000 2.042 205 L HA -0.246 3.940 4.340 -0.256 0.000 0.210 205 L C 2.671 179.569 176.870 0.046 0.000 1.076 205 L CA 1.725 56.594 54.840 0.048 0.000 0.749 205 L CB -0.584 41.496 42.059 0.034 0.000 0.893 205 L HN 0.355 nan 8.230 nan 0.000 0.432 206 Q N 0.420 120.239 119.800 0.032 0.000 2.079 206 Q HA -0.151 4.035 4.340 -0.256 0.000 0.200 206 Q C 2.152 178.170 176.000 0.030 0.000 0.974 206 Q CA 1.685 57.505 55.803 0.029 0.000 0.840 206 Q CB -0.351 28.400 28.738 0.022 0.000 0.898 206 Q HN 0.459 nan 8.270 nan 0.000 0.430 207 L N -0.400 120.839 121.223 0.027 0.000 2.083 207 L HA -0.167 4.019 4.340 -0.256 0.000 0.209 207 L C 2.338 179.225 176.870 0.028 0.000 1.083 207 L CA 1.006 55.857 54.840 0.019 0.000 0.752 207 L CB -0.465 41.600 42.059 0.010 0.000 0.899 207 L HN 0.255 nan 8.230 nan 0.000 0.433 208 I N -0.198 120.410 120.570 0.063 0.000 2.202 208 I HA -0.287 3.729 4.170 -0.256 0.000 0.242 208 I C 2.518 178.697 176.117 0.103 0.000 1.091 208 I CA 1.360 62.727 61.300 0.112 0.000 1.368 208 I CB -0.260 37.857 38.000 0.196 0.000 1.058 208 I HN 0.194 nan 8.210 nan 0.000 0.410 209 K N 0.710 121.162 120.400 0.086 0.000 2.103 209 K HA -0.217 3.949 4.320 -0.256 0.000 0.207 209 K C 1.840 178.475 176.600 0.059 0.000 1.048 209 K CA 1.559 57.893 56.287 0.078 0.000 0.930 209 K CB -0.125 32.410 32.500 0.058 0.000 0.716 209 K HN 0.378 nan 8.250 nan 0.000 0.444 210 E N 0.118 120.340 120.200 0.037 0.000 2.435 210 E HA 0.041 4.237 4.350 -0.256 0.000 0.195 210 E C -0.004 176.599 176.600 0.005 0.000 1.029 210 E CA -0.197 56.215 56.400 0.020 0.000 0.865 210 E CB 0.367 30.074 29.700 0.011 0.000 0.833 210 E HN 0.239 nan 8.360 nan 0.000 0.510 211 A N 1.238 124.051 122.820 -0.011 0.000 2.354 211 A HA 0.149 4.315 4.320 -0.256 0.000 0.269 211 A C 0.816 178.384 177.584 -0.027 0.000 1.109 211 A CA -0.328 51.674 52.037 -0.057 0.000 0.800 211 A CB 0.538 19.447 19.000 -0.152 0.000 1.045 211 A HN -0.049 nan 8.150 nan 0.000 0.489 212 K N 0.744 121.129 120.400 -0.025 0.000 2.348 212 K HA 0.080 4.246 4.320 -0.256 0.000 0.194 212 K C 0.207 176.831 176.600 0.039 0.000 1.052 212 K CA 0.513 56.814 56.287 0.024 0.000 1.004 212 K CB 0.421 32.927 32.500 0.010 0.000 0.873 212 K HN 0.769 nan 8.250 nan 0.000 0.523 213 N N 1.672 120.346 118.700 -0.044 0.000 2.711 213 N HA 0.162 4.748 4.740 -0.256 0.000 0.263 213 N C -2.926 172.472 175.510 -0.187 0.000 1.667 213 N CA -1.205 51.817 53.050 -0.047 0.000 0.785 213 N CB 1.440 39.915 38.487 -0.020 0.000 1.231 213 N HN -0.151 nan 8.380 nan 0.000 0.503 214 P HA 0.171 nan 4.420 nan 0.000 0.278 214 P C -0.433 176.598 177.300 -0.448 0.000 1.238 214 P CA -0.223 62.519 63.100 -0.597 0.000 0.794 214 P CB 1.746 32.681 31.700 -1.275 0.000 0.955 215 V N 0.190 119.980 119.914 -0.206 0.000 3.007 215 V HA 0.637 4.603 4.120 -0.256 0.000 0.311 215 V C -0.752 175.388 176.094 0.077 0.000 1.120 215 V CA -1.135 61.168 62.300 0.005 0.000 0.980 215 V CB 1.954 33.839 31.823 0.102 0.000 1.033 215 V HN 0.287 nan 8.190 nan 0.000 0.429 216 I N 3.388 124.049 120.570 0.153 0.000 2.377 216 I HA 0.492 4.508 4.170 -0.256 0.000 0.293 216 I C -0.598 175.616 176.117 0.162 0.000 0.987 216 I CA -0.551 60.831 61.300 0.136 0.000 1.185 216 I CB 1.777 39.835 38.000 0.097 0.000 1.341 216 I HN 0.479 nan 8.210 nan 0.000 0.455 217 L N 6.183 127.485 121.223 0.131 0.000 2.377 217 L HA 0.600 4.786 4.340 -0.256 0.000 0.270 217 L C -0.227 176.719 176.870 0.125 0.000 0.991 217 L CA -0.505 54.424 54.840 0.149 0.000 0.851 217 L CB 1.436 43.549 42.059 0.091 0.000 1.218 217 L HN 0.713 nan 8.230 nan 0.000 0.420 218 A N 3.276 126.177 122.820 0.134 0.000 2.366 218 A HA 0.464 4.630 4.320 -0.256 0.000 0.272 218 A C -0.538 177.107 177.584 0.102 0.000 1.135 218 A CA -0.287 51.808 52.037 0.096 0.000 0.804 218 A CB 0.770 19.821 19.000 0.084 0.000 1.064 218 A HN 0.726 nan 8.150 nan 0.000 0.499 219 D N 1.103 121.541 120.400 0.063 0.000 2.712 219 D HA 0.606 5.092 4.640 -0.256 0.000 0.252 219 D C 1.460 177.774 176.300 0.024 0.000 1.123 219 D CA 0.233 54.264 54.000 0.052 0.000 1.109 219 D CB 1.676 42.497 40.800 0.034 0.000 1.313 219 D HN 0.392 nan 8.370 nan 0.000 0.629 220 A N -0.284 122.539 122.820 0.005 0.000 1.948 220 A HA -0.170 3.996 4.320 -0.256 0.000 0.220 220 A C 2.076 179.668 177.584 0.014 0.000 1.177 220 A CA 1.704 53.740 52.037 -0.002 0.000 0.636 220 A CB -0.743 18.244 19.000 -0.021 0.000 0.815 220 A HN 0.550 nan 8.150 nan 0.000 0.449 221 C N -2.024 117.282 119.300 0.010 0.000 2.791 221 C HA 0.139 4.445 4.460 -0.256 0.000 0.270 221 C C 2.541 177.583 174.990 0.088 0.000 1.257 221 C CA -0.511 58.555 59.018 0.079 0.000 1.699 221 C CB -2.094 25.695 27.740 0.082 0.000 1.904 221 C HN 0.807 nan 8.230 nan 0.000 0.603 222 C N 0.695 120.021 119.300 0.043 0.000 2.413 222 C HA -0.108 4.198 4.460 -0.256 0.000 0.277 222 C C 2.973 177.989 174.990 0.043 0.000 1.228 222 C CA 2.149 61.185 59.018 0.031 0.000 1.731 222 C CB -1.053 26.702 27.740 0.024 0.000 2.042 222 C HN 0.604 nan 8.230 nan 0.000 0.468 223 S N -0.565 115.171 115.700 0.061 0.000 2.414 223 S HA -0.049 4.267 4.470 -0.256 0.000 0.227 223 S C 1.968 176.591 174.600 0.038 0.000 1.022 223 S CA 1.090 59.338 58.200 0.079 0.000 0.958 223 S CB -0.389 62.917 63.200 0.177 0.000 0.797 223 S HN 0.666 nan 8.310 nan 0.000 0.493 224 R N 0.521 121.034 120.500 0.021 0.000 2.115 224 R HA 0.009 4.195 4.340 -0.256 0.000 0.230 224 R C 0.800 176.905 176.300 -0.324 0.000 1.111 224 R CA 1.333 57.365 56.100 -0.113 0.000 0.976 224 R CB -0.112 30.132 30.300 -0.094 0.000 0.870 224 R HN 0.412 nan 8.270 nan 0.000 0.445 225 H N -1.086 117.952 119.070 -0.053 0.000 2.487 225 H HA 0.170 4.573 4.556 -0.256 0.000 0.290 225 H C -0.655 174.622 175.328 -0.085 0.000 1.081 225 H CA 0.393 56.391 56.048 -0.084 0.000 1.116 225 H CB 0.442 30.157 29.762 -0.080 0.000 1.560 225 H HN 0.212 nan 8.280 nan 0.000 0.548 226 D N -0.044 120.347 120.400 -0.014 0.000 2.775 226 D HA -0.185 4.301 4.640 -0.256 0.000 0.235 226 D C 0.291 176.588 176.300 -0.005 0.000 1.120 226 D CA 0.780 54.770 54.000 -0.017 0.000 0.708 226 D CB -1.004 39.782 40.800 -0.023 0.000 1.084 226 D HN 0.494 nan 8.370 nan 0.000 0.434 227 A N 0.284 123.103 122.820 -0.001 0.000 2.594 227 A HA 0.241 4.407 4.320 -0.256 0.000 0.287 227 A C 1.680 179.251 177.584 -0.021 0.000 1.227 227 A CA 0.366 52.389 52.037 -0.022 0.000 0.952 227 A CB 0.212 19.186 19.000 -0.044 0.000 1.161 227 A HN 0.255 nan 8.150 nan 0.000 0.524 228 K N 0.510 120.908 120.400 -0.003 0.000 2.026 228 K HA -0.099 4.067 4.320 -0.256 0.000 0.208 228 K C 2.092 178.688 176.600 -0.007 0.000 1.048 228 K CA 1.448 57.737 56.287 0.003 0.000 0.929 228 K CB -0.256 32.256 32.500 0.021 0.000 0.713 228 K HN 0.380 nan 8.250 nan 0.000 0.439 229 A N 1.277 124.094 122.820 -0.005 0.000 1.873 229 A HA -0.241 3.925 4.320 -0.256 0.000 0.218 229 A C 1.935 179.506 177.584 -0.022 0.000 1.193 229 A CA 2.157 54.190 52.037 -0.007 0.000 0.629 229 A CB -0.739 18.260 19.000 -0.001 0.000 0.826 229 A HN 0.460 nan 8.150 nan 0.000 0.447 230 E N -0.605 119.573 120.200 -0.035 0.000 2.058 230 E HA -0.121 4.075 4.350 -0.256 0.000 0.194 230 E C 2.183 178.731 176.600 -0.086 0.000 0.997 230 E CA 1.935 58.297 56.400 -0.063 0.000 0.801 230 E CB -0.580 29.071 29.700 -0.083 0.000 0.746 230 E HN 0.634 nan 8.360 nan 0.000 0.450 231 T N 0.404 114.911 114.554 -0.078 0.000 2.737 231 T HA -0.160 4.036 4.350 -0.256 0.000 0.265 231 T C 1.783 176.441 174.700 -0.070 0.000 1.038 231 T CA 1.390 63.442 62.100 -0.081 0.000 1.144 231 T CB -0.186 68.650 68.868 -0.054 0.000 0.866 231 T HN 0.102 nan 8.240 nan 0.000 0.434 232 K N 0.913 121.289 120.400 -0.041 0.000 2.074 232 K HA -0.207 3.959 4.320 -0.256 0.000 0.209 232 K C 2.340 178.927 176.600 -0.022 0.000 1.048 232 K CA 1.584 57.860 56.287 -0.019 0.000 0.926 232 K CB -0.084 32.433 32.500 0.027 0.000 0.713 232 K HN 0.078 nan 8.250 nan 0.000 0.444 233 K N 0.661 121.041 120.400 -0.034 0.000 2.097 233 K HA -0.128 4.038 4.320 -0.256 0.000 0.205 233 K C 1.969 178.523 176.600 -0.076 0.000 1.050 233 K CA 0.900 57.163 56.287 -0.039 0.000 0.938 233 K CB -0.241 32.233 32.500 -0.043 0.000 0.718 233 K HN 0.121 nan 8.250 nan 0.000 0.442 234 L N 0.767 121.927 121.223 -0.105 0.000 2.046 234 L HA -0.068 4.119 4.340 -0.256 0.000 0.208 234 L C 1.783 178.543 176.870 -0.183 0.000 1.077 234 L CA 1.605 56.356 54.840 -0.148 0.000 0.747 234 L CB -0.259 41.712 42.059 -0.147 0.000 0.896 234 L HN 0.249 nan 8.230 nan 0.000 0.432 235 I N -0.548 119.928 120.570 -0.155 0.000 2.179 235 I HA -0.266 3.750 4.170 -0.256 0.000 0.242 235 I C 2.056 178.105 176.117 -0.113 0.000 1.088 235 I CA 1.292 62.480 61.300 -0.187 0.000 1.357 235 I CB -0.638 37.167 38.000 -0.326 0.000 1.051 235 I HN 0.236 nan 8.210 nan 0.000 0.409 236 D N 0.885 121.273 120.400 -0.019 0.000 2.123 236 D HA -0.141 4.345 4.640 -0.256 0.000 0.196 236 D C 2.311 178.588 176.300 -0.037 0.000 0.992 236 D CA 1.395 55.423 54.000 0.046 0.000 0.833 236 D CB -0.191 40.645 40.800 0.061 0.000 0.954 236 D HN 0.317 nan 8.370 nan 0.000 0.455 237 L N 0.371 121.533 121.223 -0.102 0.000 2.270 237 L HA -0.040 4.146 4.340 -0.256 0.000 0.210 237 L C 2.472 179.209 176.870 -0.222 0.000 1.104 237 L CA 1.273 56.036 54.840 -0.128 0.000 0.804 237 L CB -0.397 41.587 42.059 -0.124 0.000 0.937 237 L HN 0.140 nan 8.230 nan 0.000 0.450 238 T N -5.198 109.118 114.554 -0.397 0.000 3.010 238 T HA -0.038 4.158 4.350 -0.256 0.000 0.252 238 T C 1.087 175.483 174.700 -0.506 0.000 1.047 238 T CA 0.018 61.637 62.100 -0.800 0.000 1.140 238 T CB 0.189 67.987 68.868 -1.784 0.000 0.885 238 T HN 0.167 nan 8.240 nan 0.000 0.464 239 Q N 0.048 119.709 119.800 -0.232 0.000 2.460 239 Q HA -0.118 4.068 4.340 -0.256 0.000 0.248 239 Q C -0.903 175.198 176.000 0.168 0.000 0.847 239 Q CA 0.418 56.248 55.803 0.045 0.000 1.214 239 Q CB -2.434 26.418 28.738 0.189 0.000 1.523 239 Q HN 0.575 nan 8.270 nan 0.000 0.602 240 F N 1.153 121.009 119.950 -0.157 0.000 2.471 240 F HA 0.268 4.641 4.527 -0.257 0.000 0.353 240 F C -1.279 174.455 175.800 -0.110 0.000 1.113 240 F CA -2.589 55.263 58.000 -0.247 0.000 1.262 240 F CB -0.570 38.256 39.000 -0.290 0.000 1.146 240 F HN -0.181 nan 8.300 nan 0.000 0.578 241 P HA 0.150 nan 4.420 nan 0.000 0.263 241 P C -1.025 176.178 177.300 -0.161 0.000 1.175 241 P CA 0.259 63.334 63.100 -0.041 0.000 0.761 241 P CB 0.423 32.178 31.700 0.091 0.000 0.794 242 A N 3.484 126.027 122.820 -0.461 0.000 2.355 242 A HA 0.793 4.960 4.320 -0.256 0.000 0.317 242 A C -1.165 176.017 177.584 -0.672 0.000 1.094 242 A CA -0.366 51.470 52.037 -0.336 0.000 0.764 242 A CB 0.624 19.526 19.000 -0.164 0.000 1.230 242 A HN 0.358 nan 8.150 nan 0.000 0.448 243 F N 0.643 120.577 119.950 -0.026 0.000 2.603 243 F HA 0.634 5.007 4.527 -0.257 0.000 0.317 243 F C 0.203 176.078 175.800 0.125 0.000 1.066 243 F CA -0.835 57.135 58.000 -0.050 0.000 0.941 243 F CB 2.349 41.296 39.000 -0.089 0.000 1.291 243 F HN 0.535 nan 8.300 nan 0.000 0.472 244 V N -1.424 118.728 119.914 0.396 0.000 2.667 244 V HA 0.800 4.766 4.120 -0.256 0.000 0.308 244 V C -0.033 176.230 176.094 0.282 0.000 1.048 244 V CA -0.762 61.721 62.300 0.304 0.000 0.928 244 V CB 1.099 33.081 31.823 0.265 0.000 1.004 244 V HN 0.912 nan 8.190 nan 0.000 0.444 245 T N 0.827 115.528 114.554 0.245 0.000 2.788 245 T HA 0.407 4.603 4.350 -0.256 0.000 0.287 245 T C -1.596 173.173 174.700 0.114 0.000 1.007 245 T CA -1.092 61.153 62.100 0.241 0.000 1.005 245 T CB 0.966 69.960 68.868 0.211 0.000 1.012 245 T HN 0.583 nan 8.240 nan 0.000 0.530 246 P HA -0.035 nan 4.420 nan 0.000 0.218 246 P C 1.632 178.907 177.300 -0.040 0.000 1.148 246 P CA 1.374 64.456 63.100 -0.029 0.000 0.822 246 P CB -0.108 31.542 31.700 -0.083 0.000 0.784 247 M N -1.867 117.719 119.600 -0.023 0.000 2.476 247 M HA 0.030 4.356 4.480 -0.256 0.000 0.262 247 M C 1.912 178.203 176.300 -0.014 0.000 1.079 247 M CA 1.582 56.865 55.300 -0.027 0.000 1.104 247 M CB -0.699 31.887 32.600 -0.024 0.000 1.409 247 M HN -0.008 nan 8.290 nan 0.000 0.467 248 G N -0.054 108.757 108.800 0.017 0.000 2.986 248 G HA2 -0.006 3.800 3.960 -0.256 0.000 0.213 248 G HA3 -0.006 3.800 3.960 -0.256 0.000 0.213 248 G C 0.503 175.421 174.900 0.030 0.000 1.156 248 G CA -0.334 44.786 45.100 0.034 0.000 0.763 248 G HN 0.267 nan 8.290 nan 0.000 0.547 249 K N 0.754 121.164 120.400 0.016 0.000 2.453 249 K HA 0.325 4.491 4.320 -0.256 0.000 0.280 249 K C 1.354 178.008 176.600 0.091 0.000 1.045 249 K CA 0.938 57.231 56.287 0.010 0.000 1.059 249 K CB -0.026 32.420 32.500 -0.090 0.000 0.901 249 K HN 0.233 nan 8.250 nan 0.000 0.475 250 G N 2.116 110.986 108.800 0.117 0.000 2.259 250 G HA2 -0.252 3.554 3.960 -0.256 0.000 0.217 250 G HA3 -0.252 3.554 3.960 -0.256 0.000 0.217 250 G C 0.948 175.882 174.900 0.058 0.000 1.001 250 G CA 0.268 45.456 45.100 0.146 0.000 0.627 250 G HN 0.589 nan 8.290 nan 0.000 0.501 251 S N 0.017 115.739 115.700 0.037 0.000 2.461 251 S HA 0.310 4.626 4.470 -0.256 0.000 0.228 251 S C 0.945 175.554 174.600 0.015 0.000 1.005 251 S CA 0.643 58.867 58.200 0.041 0.000 0.942 251 S CB 0.096 63.323 63.200 0.045 0.000 0.776 251 S HN 0.524 nan 8.310 nan 0.000 0.514 252 I N 2.341 122.897 120.570 -0.022 0.000 2.355 252 I HA 0.222 4.238 4.170 -0.256 0.000 0.288 252 I C -1.011 174.991 176.117 -0.192 0.000 0.999 252 I CA -0.801 60.457 61.300 -0.070 0.000 1.163 252 I CB 1.319 39.316 38.000 -0.005 0.000 1.316 252 I HN -0.126 nan 8.210 nan 0.000 0.454 253 D N 6.398 126.736 120.400 -0.104 0.000 2.451 253 D HA -0.025 4.461 4.640 -0.256 0.000 0.254 253 D C 0.985 177.149 176.300 -0.227 0.000 1.204 253 D CA 0.553 54.489 54.000 -0.107 0.000 0.896 253 D CB 0.865 41.655 40.800 -0.017 0.000 1.136 253 D HN 0.527 nan 8.370 nan 0.000 0.499 254 E N 1.573 121.564 120.200 -0.348 0.000 2.511 254 E HA -0.079 4.117 4.350 -0.256 0.000 0.196 254 E C 0.969 177.497 176.600 -0.121 0.000 1.066 254 E CA 0.324 56.350 56.400 -0.623 0.000 0.871 254 E CB 0.399 29.762 29.700 -0.561 0.000 0.863 254 E HN 0.161 nan 8.360 nan 0.000 0.520 255 K N 0.248 120.638 120.400 -0.017 0.000 2.404 255 K HA 0.021 4.187 4.320 -0.256 0.000 0.194 255 K C 0.534 177.185 176.600 0.085 0.000 1.023 255 K CA 0.068 56.388 56.287 0.053 0.000 1.094 255 K CB -0.167 32.346 32.500 0.022 0.000 0.841 255 K HN 0.182 nan 8.250 nan 0.000 0.523 256 H N 2.476 121.561 119.070 0.024 0.000 3.034 256 H HA -0.011 4.391 4.556 -0.257 0.000 0.324 256 H C -1.688 173.693 175.328 0.087 0.000 1.015 256 H CA -1.035 55.043 56.048 0.050 0.000 1.429 256 H CB 1.187 30.980 29.762 0.052 0.000 1.429 256 H HN -0.163 nan 8.280 nan 0.000 0.585 257 P HA -0.129 nan 4.420 nan 0.000 0.218 257 P C 1.098 178.540 177.300 0.237 0.000 1.146 257 P CA 1.123 64.314 63.100 0.152 0.000 0.813 257 P CB 0.416 32.145 31.700 0.048 0.000 0.778 258 R N -2.184 118.586 120.500 0.448 0.000 2.317 258 R HA 0.182 4.368 4.340 -0.256 0.000 0.208 258 R C 0.380 176.663 176.300 -0.028 0.000 0.914 258 R CA -0.412 55.781 56.100 0.155 0.000 1.060 258 R CB -1.138 29.212 30.300 0.083 0.000 1.015 258 R HN 0.262 nan 8.270 nan 0.000 0.498 259 F N 0.886 120.791 119.950 -0.076 0.000 2.502 259 F HA 0.287 4.660 4.527 -0.256 0.000 0.371 259 F C 1.261 176.919 175.800 -0.237 0.000 1.083 259 F CA -0.244 57.640 58.000 -0.194 0.000 1.174 259 F CB 0.954 39.911 39.000 -0.071 0.000 1.096 259 F HN 0.040 nan 8.300 nan 0.000 0.545 260 G N 3.144 111.195 108.800 -1.248 0.000 3.159 260 G HA2 0.473 4.279 3.960 -0.256 0.000 0.232 260 G HA3 0.473 4.279 3.960 -0.256 0.000 0.232 260 G C 0.425 174.867 174.900 -0.764 0.000 1.116 260 G CA 0.244 44.784 45.100 -0.934 0.000 0.767 260 G HN 1.333 nan 8.290 nan 0.000 0.547 261 G N -1.280 106.617 108.800 -1.505 0.000 2.331 261 G HA2 0.289 4.095 3.960 -0.256 0.000 0.402 261 G HA3 0.289 4.095 3.960 -0.256 0.000 0.402 261 G C -0.940 173.869 174.900 -0.151 0.000 1.275 261 G CA -0.155 44.551 45.100 -0.657 0.000 1.003 261 G HN 1.159 nan 8.290 nan 0.000 0.500 262 V N -0.069 119.883 119.914 0.063 0.000 2.394 262 V HA 0.721 4.687 4.120 -0.256 0.000 0.282 262 V C -0.328 175.858 176.094 0.153 0.000 1.031 262 V CA -0.899 61.487 62.300 0.144 0.000 0.881 262 V CB 0.977 32.844 31.823 0.072 0.000 0.982 262 V HN 1.454 nan 8.190 nan 0.000 0.451 263 Y N 5.776 126.115 120.300 0.065 0.000 2.383 263 Y HA 0.554 4.950 4.550 -0.257 0.000 0.344 263 Y C 0.409 176.387 175.900 0.131 0.000 0.986 263 Y CA -0.360 57.734 58.100 -0.010 0.000 1.175 263 Y CB 1.416 39.814 38.460 -0.103 0.000 1.152 263 Y HN 0.525 nan 8.280 nan 0.000 0.511 264 V N 6.119 125.817 119.914 -0.359 0.000 2.991 264 V HA 0.389 4.355 4.120 -0.256 0.000 0.355 264 V C 1.068 176.986 176.094 -0.294 0.000 1.384 264 V CA 0.140 62.370 62.300 -0.117 0.000 1.171 264 V CB -0.438 31.382 31.823 -0.004 0.000 1.190 264 V HN 1.200 nan 8.190 nan 0.000 0.540 265 G N 2.491 110.652 108.800 -1.066 0.000 2.536 265 G HA2 -0.386 3.421 3.960 -0.256 0.000 0.280 265 G HA3 -0.386 3.421 3.960 -0.256 0.000 0.280 265 G C 1.056 175.680 174.900 -0.461 0.000 1.152 265 G CA 1.000 45.592 45.100 -0.846 0.000 0.970 265 G HN 0.834 nan 8.290 nan 0.000 0.549 266 T N 0.179 114.550 114.554 -0.305 0.000 3.085 266 T HA 0.315 4.512 4.350 -0.256 0.000 0.263 266 T C 2.318 176.926 174.700 -0.154 0.000 1.127 266 T CA 1.541 63.508 62.100 -0.221 0.000 1.103 266 T CB 0.001 68.734 68.868 -0.225 0.000 0.921 266 T HN 0.519 nan 8.240 nan 0.000 0.510 267 L N 1.303 122.448 121.223 -0.129 0.000 2.591 267 L HA 0.204 4.391 4.340 -0.256 0.000 0.228 267 L C 0.884 177.687 176.870 -0.111 0.000 1.133 267 L CA -0.286 54.492 54.840 -0.104 0.000 0.880 267 L CB -0.324 41.698 42.059 -0.062 0.000 1.033 267 L HN 0.160 nan 8.230 nan 0.000 0.450 268 S N 0.340 115.952 115.700 -0.146 0.000 2.579 268 S HA 0.106 4.422 4.470 -0.256 0.000 0.275 268 S C 0.683 175.239 174.600 -0.072 0.000 1.345 268 S CA -0.543 57.590 58.200 -0.112 0.000 1.031 268 S CB 0.999 64.130 63.200 -0.116 0.000 0.892 268 S HN 0.413 nan 8.310 nan 0.000 0.529 269 S N 2.142 117.814 115.700 -0.046 0.000 2.559 269 S HA 0.049 4.365 4.470 -0.256 0.000 0.282 269 S C -1.908 172.676 174.600 -0.027 0.000 1.336 269 S CA -0.741 57.441 58.200 -0.030 0.000 1.037 269 S CB -0.208 62.984 63.200 -0.013 0.000 0.853 269 S HN 0.417 nan 8.310 nan 0.000 0.523 270 P HA -0.100 nan 4.420 nan 0.000 0.216 270 P C 1.635 178.926 177.300 -0.014 0.000 1.153 270 P CA 2.047 65.135 63.100 -0.021 0.000 0.858 270 P CB -0.308 31.383 31.700 -0.015 0.000 0.789 271 A N -0.644 122.175 122.820 -0.002 0.000 1.877 271 A HA -0.151 4.016 4.320 -0.256 0.000 0.216 271 A C 2.373 179.961 177.584 0.007 0.000 1.186 271 A CA 1.851 53.894 52.037 0.009 0.000 0.620 271 A CB -1.699 17.316 19.000 0.025 0.000 0.822 271 A HN 0.032 nan 8.150 nan 0.000 0.443 272 V N 0.326 120.247 119.914 0.012 0.000 2.287 272 V HA -0.312 3.654 4.120 -0.256 0.000 0.248 272 V C 2.544 178.574 176.094 -0.108 0.000 1.053 272 V CA 2.529 64.812 62.300 -0.027 0.000 1.027 272 V CB -0.728 31.110 31.823 0.026 0.000 0.646 272 V HN 0.714 nan 8.190 nan 0.000 0.447 273 K N 0.104 120.488 120.400 -0.026 0.000 2.009 273 K HA -0.286 3.880 4.320 -0.256 0.000 0.210 273 K C 2.222 178.792 176.600 -0.050 0.000 1.049 273 K CA 2.159 58.452 56.287 0.011 0.000 0.929 273 K CB -0.223 32.268 32.500 -0.015 0.000 0.714 273 K HN 0.371 nan 8.250 nan 0.000 0.440 274 E N 0.403 120.572 120.200 -0.051 0.000 2.058 274 E HA -0.157 4.040 4.350 -0.256 0.000 0.194 274 E C 1.696 178.241 176.600 -0.092 0.000 0.997 274 E CA 1.701 58.068 56.400 -0.055 0.000 0.801 274 E CB -0.428 29.255 29.700 -0.029 0.000 0.746 274 E HN 0.420 nan 8.360 nan 0.000 0.450 275 A N -0.184 122.573 122.820 -0.105 0.000 1.917 275 A HA -0.183 3.984 4.320 -0.256 0.000 0.219 275 A C 2.484 179.901 177.584 -0.279 0.000 1.182 275 A CA 1.982 53.951 52.037 -0.114 0.000 0.633 275 A CB -0.642 18.369 19.000 0.018 0.000 0.819 275 A HN 0.210 nan 8.150 nan 0.000 0.448 276 V N -0.407 119.204 119.914 -0.504 0.000 2.500 276 V HA -0.126 3.840 4.120 -0.256 0.000 0.243 276 V C 2.162 178.002 176.094 -0.424 0.000 1.039 276 V CA 1.715 63.615 62.300 -0.666 0.000 1.053 276 V CB -0.703 30.395 31.823 -1.209 0.000 0.695 276 V HN 0.611 nan 8.190 nan 0.000 0.463 277 E N 0.922 120.951 120.200 -0.286 0.000 2.347 277 E HA -0.109 4.087 4.350 -0.256 0.000 0.196 277 E C 2.108 178.636 176.600 -0.119 0.000 1.008 277 E CA 1.204 57.508 56.400 -0.160 0.000 0.852 277 E CB -0.095 29.573 29.700 -0.053 0.000 0.783 277 E HN 0.692 nan 8.360 nan 0.000 0.505 278 S N 0.478 116.107 115.700 -0.118 0.000 2.603 278 S HA 0.193 4.509 4.470 -0.256 0.000 0.220 278 S C 0.947 175.493 174.600 -0.091 0.000 0.967 278 S CA -0.161 57.988 58.200 -0.084 0.000 0.920 278 S CB 0.144 63.308 63.200 -0.059 0.000 0.773 278 S HN 0.171 nan 8.310 nan 0.000 0.529 279 A N 2.557 125.301 122.820 -0.127 0.000 2.477 279 A HA 0.370 4.536 4.320 -0.256 0.000 0.246 279 A C 0.965 178.483 177.584 -0.111 0.000 1.078 279 A CA 0.019 51.981 52.037 -0.126 0.000 0.770 279 A CB 0.180 19.083 19.000 -0.162 0.000 1.011 279 A HN 0.550 nan 8.150 nan 0.000 0.494 280 D N 0.940 121.279 120.400 -0.102 0.000 2.350 280 D HA 0.187 4.673 4.640 -0.256 0.000 0.213 280 D C -0.064 176.180 176.300 -0.094 0.000 1.031 280 D CA 0.152 54.099 54.000 -0.087 0.000 0.861 280 D CB 0.028 40.787 40.800 -0.068 0.000 0.926 280 D HN 0.279 nan 8.370 nan 0.000 0.520 281 L N 0.296 121.446 121.223 -0.122 0.000 2.543 281 L HA 0.428 4.614 4.340 -0.256 0.000 0.265 281 L C -1.850 174.952 176.870 -0.114 0.000 0.945 281 L CA -0.913 53.861 54.840 -0.111 0.000 0.869 281 L CB 2.390 44.375 42.059 -0.123 0.000 1.294 281 L HN -0.203 nan 8.230 nan 0.000 0.405 282 V N 5.988 125.854 119.914 -0.080 0.000 2.357 282 V HA 0.455 4.421 4.120 -0.256 0.000 0.284 282 V C -0.536 175.556 176.094 -0.003 0.000 1.018 282 V CA -0.587 61.677 62.300 -0.060 0.000 0.841 282 V CB 1.495 33.266 31.823 -0.087 0.000 0.991 282 V HN 0.480 nan 8.190 nan 0.000 0.437 283 L N 4.372 125.627 121.223 0.055 0.000 2.282 283 L HA 0.397 4.583 4.340 -0.256 0.000 0.287 283 L C 0.582 177.538 176.870 0.143 0.000 1.075 283 L CA 0.550 55.476 54.840 0.142 0.000 0.839 283 L CB 0.682 42.876 42.059 0.225 0.000 1.219 283 L HN 0.677 nan 8.230 nan 0.000 0.434 284 S N 3.434 119.202 115.700 0.113 0.000 2.438 284 S HA 0.610 4.926 4.470 -0.256 0.000 0.293 284 S C -0.354 174.320 174.600 0.123 0.000 1.141 284 S CA -0.452 57.793 58.200 0.075 0.000 1.080 284 S CB 0.767 63.969 63.200 0.003 0.000 0.978 284 S HN 0.279 nan 8.310 nan 0.000 0.479 285 V N 4.874 124.843 119.914 0.091 0.000 2.357 285 V HA 0.689 4.655 4.120 -0.256 0.000 0.284 285 V C 1.022 177.114 176.094 -0.002 0.000 1.018 285 V CA 0.149 62.492 62.300 0.072 0.000 0.841 285 V CB 0.591 32.414 31.823 0.001 0.000 0.991 285 V HN 1.270 nan 8.190 nan 0.000 0.437 286 G N 4.108 112.879 108.800 -0.048 0.000 2.149 286 G HA2 -0.033 3.774 3.960 -0.256 0.000 0.235 286 G HA3 -0.033 3.774 3.960 -0.256 0.000 0.235 286 G C 0.365 175.178 174.900 -0.145 0.000 1.018 286 G CA 0.016 45.069 45.100 -0.078 0.000 0.728 286 G HN 1.503 nan 8.290 nan 0.000 0.508 287 A N -1.048 121.592 122.820 -0.299 0.000 2.531 287 A HA 0.670 4.836 4.320 -0.256 0.000 0.236 287 A C 1.107 178.554 177.584 -0.228 0.000 1.062 287 A CA 1.466 53.294 52.037 -0.349 0.000 0.760 287 A CB 0.679 19.280 19.000 -0.666 0.000 0.995 287 A HN 1.619 nan 8.150 nan 0.000 0.501 288 L N 1.434 122.634 121.223 -0.038 0.000 2.304 288 L HA 0.238 4.425 4.340 -0.256 0.000 0.247 288 L C 1.104 178.021 176.870 0.077 0.000 1.110 288 L CA 0.426 55.284 54.840 0.030 0.000 1.249 288 L CB -0.277 41.725 42.059 -0.093 0.000 2.495 288 L HN 0.616 nan 8.230 nan 0.000 0.543 289 L N 1.751 123.008 121.223 0.058 0.000 2.711 289 L HA 0.127 4.313 4.340 -0.256 0.000 0.242 289 L C 0.311 177.312 176.870 0.217 0.000 1.153 289 L CA 0.372 55.259 54.840 0.077 0.000 0.898 289 L CB -0.251 41.788 42.059 -0.033 0.000 1.044 289 L HN 0.467 nan 8.230 nan 0.000 0.437 290 S N 0.027 115.870 115.700 0.239 0.000 2.643 290 S HA 0.030 4.346 4.470 -0.256 0.000 0.329 290 S C -0.099 174.703 174.600 0.336 0.000 1.193 290 S CA -0.500 57.874 58.200 0.290 0.000 1.293 290 S CB -0.337 63.016 63.200 0.255 0.000 1.205 290 S HN 0.462 nan 8.310 nan 0.000 0.550 291 D N 0.764 121.406 120.400 0.404 0.000 9.054 291 D HA -0.071 4.415 4.640 -0.256 0.000 0.288 291 D C -0.415 176.088 176.300 0.338 0.000 2.510 291 D CA 1.844 56.019 54.000 0.293 0.000 2.292 291 D CB -0.797 40.113 40.800 0.184 0.000 0.976 291 D HN 0.734 nan 8.370 nan 0.000 0.698 292 F N -0.688 119.330 119.950 0.113 0.000 3.397 292 F HA 0.572 4.946 4.527 -0.255 0.000 0.327 292 F C -1.334 174.426 175.800 -0.066 0.000 1.143 292 F CA -1.110 56.891 58.000 0.002 0.000 0.864 292 F CB 1.177 40.148 39.000 -0.050 0.000 1.530 292 F HN 0.175 nan 8.300 nan 0.000 0.498 293 N N -0.279 118.576 118.700 0.258 0.000 2.235 293 N HA 0.689 5.275 4.740 -0.256 0.000 0.293 293 N C -1.826 173.779 175.510 0.159 0.000 1.083 293 N CA -0.560 52.532 53.050 0.070 0.000 0.801 293 N CB 2.763 41.275 38.487 0.041 0.000 1.559 293 N HN 0.747 nan 8.380 nan 0.000 0.472 294 T N -0.771 113.797 114.554 0.022 0.000 2.900 294 T HA 0.282 4.478 4.350 -0.256 0.000 0.303 294 T C 1.204 175.969 174.700 0.109 0.000 1.142 294 T CA -0.592 61.565 62.100 0.096 0.000 1.007 294 T CB 1.856 70.859 68.868 0.226 0.000 1.156 294 T HN 0.562 nan 8.240 nan 0.000 0.490 295 G N 0.639 109.510 108.800 0.117 0.000 2.586 295 G HA2 -0.135 3.671 3.960 -0.256 0.000 0.215 295 G HA3 -0.135 3.671 3.960 -0.256 0.000 0.215 295 G C 1.308 176.285 174.900 0.128 0.000 1.128 295 G CA 1.057 46.215 45.100 0.097 0.000 0.774 295 G HN 0.709 nan 8.290 nan 0.000 0.543 296 S N -0.250 115.596 115.700 0.243 0.000 2.452 296 S HA 0.418 4.734 4.470 -0.256 0.000 0.225 296 S C 0.359 175.135 174.600 0.293 0.000 1.057 296 S CA -0.004 58.352 58.200 0.259 0.000 0.949 296 S CB 0.103 63.549 63.200 0.410 0.000 0.836 296 S HN 0.589 nan 8.310 nan 0.000 0.518 297 F N 0.164 120.144 119.950 0.050 0.000 2.619 297 F HA 0.803 5.176 4.527 -0.257 0.000 0.308 297 F C -0.793 174.988 175.800 -0.031 0.000 1.097 297 F CA -2.015 55.982 58.000 -0.005 0.000 0.953 297 F CB 1.558 40.602 39.000 0.074 0.000 1.287 297 F HN -0.107 nan 8.300 nan 0.000 0.446 298 S N 2.844 118.434 115.700 -0.183 0.000 2.475 298 S HA 0.305 4.621 4.470 -0.256 0.000 0.249 298 S C -1.500 172.842 174.600 -0.429 0.000 1.298 298 S CA -0.317 57.678 58.200 -0.343 0.000 1.125 298 S CB -0.568 62.458 63.200 -0.290 0.000 1.054 298 S HN 0.636 nan 8.310 nan 0.000 0.484 299 Y N 4.610 124.441 120.300 -0.783 0.000 2.504 299 Y HA 0.449 4.846 4.550 -0.255 0.000 0.351 299 Y C 0.951 176.558 175.900 -0.489 0.000 0.988 299 Y CA 0.633 58.293 58.100 -0.733 0.000 1.239 299 Y CB 0.078 37.870 38.460 -1.114 0.000 1.128 299 Y HN 0.733 nan 8.280 nan 0.000 0.525 300 S N 2.165 117.589 115.700 -0.460 0.000 6.612 300 S HA -0.103 4.213 4.470 -0.256 0.000 0.085 300 S C -0.044 174.569 174.600 0.022 0.000 1.265 300 S CA -0.292 57.813 58.200 -0.157 0.000 1.330 300 S CB -0.228 62.990 63.200 0.029 0.000 1.817 300 S HN 0.303 nan 8.310 nan 0.000 0.551 301 Y N 5.617 125.841 120.300 -0.126 0.000 3.533 301 Y HA -0.044 4.352 4.550 -0.256 0.000 0.314 301 Y C 0.849 176.698 175.900 -0.085 0.000 0.929 301 Y CA 0.178 58.227 58.100 -0.086 0.000 1.854 301 Y CB -1.940 36.474 38.460 -0.077 0.000 2.093 301 Y HN 0.475 nan 8.280 nan 0.000 0.471 302 K N -1.238 119.169 120.400 0.012 0.000 2.651 302 K HA 0.543 4.710 4.320 -0.256 0.000 0.283 302 K C 0.723 177.277 176.600 -0.076 0.000 1.018 302 K CA -0.674 55.570 56.287 -0.073 0.000 1.127 302 K CB 0.070 32.484 32.500 -0.143 0.000 1.501 302 K HN 0.065 nan 8.250 nan 0.000 0.608 303 T N -1.039 113.463 114.554 -0.087 0.000 2.868 303 T HA 0.197 4.393 4.350 -0.256 0.000 0.292 303 T C 0.589 175.257 174.700 -0.054 0.000 1.028 303 T CA -0.628 61.429 62.100 -0.072 0.000 1.059 303 T CB 0.815 69.637 68.868 -0.076 0.000 0.991 303 T HN 0.407 nan 8.240 nan 0.000 0.531 304 K N 0.111 120.485 120.400 -0.043 0.000 2.393 304 K HA 0.085 4.251 4.320 -0.256 0.000 0.193 304 K C 0.770 177.357 176.600 -0.021 0.000 1.026 304 K CA -0.107 56.165 56.287 -0.025 0.000 1.064 304 K CB -0.040 32.448 32.500 -0.021 0.000 0.833 304 K HN 0.428 nan 8.250 nan 0.000 0.521 305 N N 2.209 120.890 118.700 -0.032 0.000 3.027 305 N HA 0.029 4.615 4.740 -0.256 0.000 0.309 305 N C -1.051 174.437 175.510 -0.036 0.000 1.222 305 N CA 0.337 53.368 53.050 -0.031 0.000 1.187 305 N CB -0.310 38.153 38.487 -0.039 0.000 1.458 305 N HN 0.111 nan 8.380 nan 0.000 0.535 306 I N 0.489 121.044 120.570 -0.025 0.000 2.493 306 I HA 0.337 4.353 4.170 -0.256 0.000 0.298 306 I C -0.279 175.814 176.117 -0.040 0.000 0.998 306 I CA -1.282 60.001 61.300 -0.028 0.000 1.137 306 I CB 1.962 39.956 38.000 -0.010 0.000 1.310 306 I HN -0.202 nan 8.210 nan 0.000 0.445 307 V N 4.704 124.575 119.914 -0.072 0.000 2.384 307 V HA 0.289 4.255 4.120 -0.256 0.000 0.287 307 V C -0.263 175.695 176.094 -0.227 0.000 1.020 307 V CA -0.582 61.608 62.300 -0.183 0.000 0.850 307 V CB 1.456 33.134 31.823 -0.243 0.000 0.987 307 V HN 0.705 nan 8.190 nan 0.000 0.436 308 E N 4.461 124.507 120.200 -0.256 0.000 2.114 308 E HA 0.417 4.613 4.350 -0.256 0.000 0.266 308 E C -1.336 175.030 176.600 -0.390 0.000 0.896 308 E CA -0.404 55.841 56.400 -0.258 0.000 0.750 308 E CB 1.389 31.015 29.700 -0.124 0.000 1.121 308 E HN 0.559 nan 8.360 nan 0.000 0.413 309 F N 3.576 123.404 119.950 -0.203 0.000 2.423 309 F HA 0.145 4.518 4.527 -0.257 0.000 0.356 309 F C 0.979 176.581 175.800 -0.330 0.000 1.170 309 F CA -0.377 57.509 58.000 -0.190 0.000 1.163 309 F CB 0.162 39.086 39.000 -0.126 0.000 1.318 309 F HN 0.357 nan 8.300 nan 0.000 0.569 310 H N 0.772 119.672 119.070 -0.284 0.000 2.505 310 H HA 0.083 4.485 4.556 -0.257 0.000 0.355 310 H C 1.290 176.437 175.328 -0.301 0.000 1.179 310 H CA 0.328 56.137 56.048 -0.398 0.000 1.343 310 H CB 1.483 30.723 29.762 -0.870 0.000 1.501 310 H HN 0.564 nan 8.280 nan 0.000 0.569 311 S N 0.539 116.115 115.700 -0.207 0.000 2.400 311 S HA -0.200 4.116 4.470 -0.256 0.000 0.232 311 S C 1.259 175.736 174.600 -0.204 0.000 1.025 311 S CA 1.767 59.741 58.200 -0.377 0.000 0.993 311 S CB 0.059 62.642 63.200 -1.030 0.000 0.808 311 S HN 0.617 nan 8.310 nan 0.000 0.478 312 D N 0.198 120.560 120.400 -0.065 0.000 2.380 312 D HA 0.212 4.698 4.640 -0.256 0.000 0.212 312 D C 0.111 176.558 176.300 0.244 0.000 1.021 312 D CA 0.305 54.371 54.000 0.110 0.000 0.884 312 D CB 0.518 41.475 40.800 0.261 0.000 1.001 312 D HN 0.671 nan 8.370 nan 0.000 0.506 313 Y N -2.599 117.743 120.300 0.070 0.000 2.713 313 Y HA 0.476 4.872 4.550 -0.257 0.000 0.335 313 Y C -0.865 175.120 175.900 0.142 0.000 1.222 313 Y CA -1.398 56.758 58.100 0.095 0.000 1.061 313 Y CB 0.680 39.169 38.460 0.048 0.000 1.314 313 Y HN -0.240 nan 8.280 nan 0.000 0.453 314 T N 0.726 115.398 114.554 0.198 0.000 2.863 314 T HA 0.585 4.781 4.350 -0.256 0.000 0.285 314 T C -1.445 173.423 174.700 0.280 0.000 1.009 314 T CA -0.729 61.404 62.100 0.056 0.000 0.989 314 T CB 1.412 70.192 68.868 -0.146 0.000 1.004 314 T HN 0.892 nan 8.240 nan 0.000 0.455 315 K N 4.165 124.663 120.400 0.163 0.000 2.244 315 K HA 0.686 4.852 4.320 -0.256 0.000 0.260 315 K C -1.112 175.549 176.600 0.102 0.000 0.951 315 K CA -0.813 55.615 56.287 0.235 0.000 0.826 315 K CB 0.910 33.575 32.500 0.274 0.000 1.108 315 K HN 0.667 nan 8.250 nan 0.000 0.433 316 I N 5.753 126.427 120.570 0.172 0.000 2.410 316 I HA 0.335 4.351 4.170 -0.256 0.000 0.286 316 I C 0.403 176.573 176.117 0.088 0.000 1.009 316 I CA -0.807 60.549 61.300 0.093 0.000 1.111 316 I CB 1.595 39.664 38.000 0.115 0.000 1.262 316 I HN 0.859 nan 8.210 nan 0.000 0.443 317 R N 2.640 123.165 120.500 0.041 0.000 3.731 317 R HA -0.291 3.895 4.340 -0.256 0.000 0.488 317 R C 1.402 177.729 176.300 0.045 0.000 0.241 317 R CA 2.033 58.152 56.100 0.033 0.000 1.531 317 R CB -1.356 28.959 30.300 0.025 0.000 0.923 317 R HN 0.599 nan 8.270 nan 0.000 0.596 318 S N 0.244 115.963 115.700 0.032 0.000 2.470 318 S HA 0.265 4.581 4.470 -0.256 0.000 0.225 318 S C 0.412 175.013 174.600 0.002 0.000 1.006 318 S CA 0.283 58.493 58.200 0.017 0.000 0.934 318 S CB 0.320 63.520 63.200 0.000 0.000 0.778 318 S HN 0.583 nan 8.310 nan 0.000 0.517 319 A N 1.514 124.339 122.820 0.009 0.000 2.425 319 A HA 0.517 4.683 4.320 -0.256 0.000 0.249 319 A C 0.082 177.630 177.584 -0.061 0.000 1.084 319 A CA 0.108 52.094 52.037 -0.084 0.000 0.781 319 A CB 0.258 19.203 19.000 -0.092 0.000 1.019 319 A HN 0.195 nan 8.150 nan 0.000 0.490 320 T N 2.443 116.865 114.554 -0.220 0.000 2.809 320 T HA 0.513 4.709 4.350 -0.256 0.000 0.284 320 T C -1.059 173.477 174.700 -0.273 0.000 0.992 320 T CA 0.114 62.165 62.100 -0.081 0.000 0.957 320 T CB 0.141 68.943 68.868 -0.109 0.000 0.942 320 T HN 0.337 nan 8.240 nan 0.000 0.439 321 F N 5.645 125.655 119.950 0.101 0.000 2.300 321 F HA 0.314 4.687 4.527 -0.257 0.000 0.364 321 F C -1.842 174.033 175.800 0.125 0.000 1.090 321 F CA -2.673 55.378 58.000 0.085 0.000 1.200 321 F CB 0.663 39.708 39.000 0.074 0.000 1.493 321 F HN 0.260 nan 8.300 nan 0.000 0.518 322 P HA 0.141 nan 4.420 nan 0.000 0.269 322 P C 0.886 178.293 177.300 0.177 0.000 1.209 322 P CA 0.706 63.887 63.100 0.136 0.000 0.776 322 P CB 1.359 33.062 31.700 0.006 0.000 0.876 323 G N 1.400 110.315 108.800 0.191 0.000 2.234 323 G HA2 -0.237 3.569 3.960 -0.256 0.000 0.260 323 G HA3 -0.237 3.569 3.960 -0.256 0.000 0.260 323 G C 0.054 175.057 174.900 0.173 0.000 0.987 323 G CA 0.067 45.263 45.100 0.160 0.000 0.625 323 G HN 0.526 nan 8.290 nan 0.000 0.532 324 V N 2.687 122.724 119.914 0.205 0.000 2.364 324 V HA 0.283 4.249 4.120 -0.256 0.000 0.252 324 V C 0.822 177.008 176.094 0.154 0.000 1.075 324 V CA 0.235 62.643 62.300 0.180 0.000 1.033 324 V CB 0.567 32.492 31.823 0.170 0.000 1.116 324 V HN 0.504 nan 8.190 nan 0.000 0.488 325 Q N 3.580 123.458 119.800 0.129 0.000 2.314 325 Q HA 0.278 4.464 4.340 -0.256 0.000 0.258 325 Q C 1.245 177.269 176.000 0.040 0.000 0.954 325 Q CA -0.317 55.511 55.803 0.042 0.000 0.890 325 Q CB 1.311 30.026 28.738 -0.038 0.000 1.210 325 Q HN 0.699 nan 8.270 nan 0.000 0.410 326 M N 2.617 122.217 119.600 0.000 0.000 2.204 326 M HA -0.361 3.966 4.480 -0.256 0.000 0.255 326 M C 1.967 178.231 176.300 -0.060 0.000 1.073 326 M CA 2.102 57.411 55.300 0.016 0.000 1.084 326 M CB -0.076 32.489 32.600 -0.059 0.000 1.289 326 M HN 0.645 nan 8.290 nan 0.000 0.419 327 K N -0.713 119.605 120.400 -0.135 0.000 2.007 327 K HA -0.134 4.032 4.320 -0.256 0.000 0.206 327 K C 1.738 178.357 176.600 0.032 0.000 1.047 327 K CA 1.573 57.784 56.287 -0.126 0.000 0.937 327 K CB -0.155 32.215 32.500 -0.217 0.000 0.718 327 K HN 0.230 nan 8.250 nan 0.000 0.438 328 F N 1.124 121.075 119.950 0.002 0.000 2.126 328 F HA -0.131 4.242 4.527 -0.256 0.000 0.299 328 F C 2.509 178.308 175.800 -0.001 0.000 1.096 328 F CA 0.969 58.973 58.000 0.006 0.000 1.255 328 F CB -1.363 37.654 39.000 0.027 0.000 0.997 328 F HN 0.122 nan 8.300 nan 0.000 0.479 329 A N -0.028 122.916 122.820 0.207 0.000 1.902 329 A HA -0.138 4.029 4.320 -0.256 0.000 0.217 329 A C 2.202 179.803 177.584 0.027 0.000 1.181 329 A CA 1.336 53.467 52.037 0.156 0.000 0.623 329 A CB -1.020 18.140 19.000 0.267 0.000 0.818 329 A HN 0.247 nan 8.150 nan 0.000 0.443 330 L N -0.176 120.966 121.223 -0.136 0.000 2.046 330 L HA -0.200 3.986 4.340 -0.256 0.000 0.208 330 L C 2.674 179.468 176.870 -0.126 0.000 1.077 330 L CA 2.036 56.698 54.840 -0.297 0.000 0.747 330 L CB -1.179 40.660 42.059 -0.366 0.000 0.896 330 L HN 0.492 nan 8.230 nan 0.000 0.432 331 Q N -0.942 118.840 119.800 -0.030 0.000 2.061 331 Q HA -0.274 3.912 4.340 -0.256 0.000 0.204 331 Q C 2.295 178.293 176.000 -0.004 0.000 0.984 331 Q CA 1.864 57.669 55.803 0.003 0.000 0.846 331 Q CB -0.157 28.622 28.738 0.069 0.000 0.902 331 Q HN 0.396 nan 8.270 nan 0.000 0.421 332 K N 0.693 121.102 120.400 0.014 0.000 2.057 332 K HA -0.130 4.036 4.320 -0.256 0.000 0.207 332 K C 2.082 178.681 176.600 -0.001 0.000 1.049 332 K CA 0.748 57.039 56.287 0.008 0.000 0.931 332 K CB -0.159 32.355 32.500 0.023 0.000 0.714 332 K HN 0.193 nan 8.250 nan 0.000 0.440 333 L N 1.308 122.529 121.223 -0.005 0.000 2.042 333 L HA -0.215 3.971 4.340 -0.256 0.000 0.210 333 L C 2.048 178.897 176.870 -0.034 0.000 1.076 333 L CA 1.507 56.343 54.840 -0.008 0.000 0.749 333 L CB -0.315 41.736 42.059 -0.013 0.000 0.893 333 L HN 0.344 nan 8.230 nan 0.000 0.432 334 L N -0.349 120.841 121.223 -0.055 0.000 2.191 334 L HA -0.200 3.986 4.340 -0.256 0.000 0.212 334 L C 2.580 179.427 176.870 -0.039 0.000 1.103 334 L CA 1.621 56.426 54.840 -0.058 0.000 0.769 334 L CB -0.858 41.164 42.059 -0.061 0.000 0.908 334 L HN 0.461 nan 8.230 nan 0.000 0.438 335 T N -3.599 110.939 114.554 -0.026 0.000 2.962 335 T HA -0.138 4.059 4.350 -0.256 0.000 0.270 335 T C 1.609 176.300 174.700 -0.016 0.000 1.088 335 T CA 0.879 62.967 62.100 -0.019 0.000 1.127 335 T CB 0.007 68.867 68.868 -0.013 0.000 0.883 335 T HN 0.306 nan 8.240 nan 0.000 0.493 336 K N -0.413 119.978 120.400 -0.016 0.000 2.477 336 K HA 0.357 4.523 4.320 -0.256 0.000 0.208 336 K C 1.574 178.165 176.600 -0.014 0.000 1.117 336 K CA -0.021 56.260 56.287 -0.010 0.000 1.039 336 K CB 0.925 33.425 32.500 -0.001 0.000 0.937 336 K HN 0.136 nan 8.250 nan 0.000 0.570 337 V N 1.164 121.058 119.914 -0.032 0.000 2.871 337 V HA -0.106 3.860 4.120 -0.256 0.000 0.256 337 V C 2.011 178.063 176.094 -0.071 0.000 1.082 337 V CA 1.800 64.070 62.300 -0.050 0.000 1.105 337 V CB 0.025 31.799 31.823 -0.082 0.000 0.713 337 V HN 0.316 nan 8.190 nan 0.000 0.473 338 A N -0.382 122.401 122.820 -0.061 0.000 1.873 338 A HA -0.258 3.908 4.320 -0.256 0.000 0.215 338 A C 1.891 179.463 177.584 -0.020 0.000 1.186 338 A CA 2.128 54.132 52.037 -0.055 0.000 0.616 338 A CB -0.837 18.139 19.000 -0.040 0.000 0.823 338 A HN 0.594 nan 8.150 nan 0.000 0.442 339 D N -0.263 120.133 120.400 -0.006 0.000 2.106 339 D HA -0.119 4.367 4.640 -0.256 0.000 0.191 339 D C 2.231 178.547 176.300 0.027 0.000 0.997 339 D CA 2.008 56.015 54.000 0.012 0.000 0.834 339 D CB -0.169 40.637 40.800 0.010 0.000 0.956 339 D HN 0.424 nan 8.370 nan 0.000 0.448 340 A N 0.253 123.089 122.820 0.025 0.000 1.940 340 A HA -0.074 4.092 4.320 -0.256 0.000 0.219 340 A C 2.077 179.715 177.584 0.090 0.000 1.176 340 A CA 2.056 54.124 52.037 0.052 0.000 0.631 340 A CB -0.640 18.391 19.000 0.052 0.000 0.814 340 A HN 0.282 nan 8.150 nan 0.000 0.446 341 A N -1.390 121.469 122.820 0.065 0.000 2.345 341 A HA 0.294 4.460 4.320 -0.256 0.000 0.225 341 A C 1.660 179.334 177.584 0.150 0.000 1.243 341 A CA 1.088 53.199 52.037 0.124 0.000 0.875 341 A CB -0.241 18.676 19.000 -0.138 0.000 0.929 341 A HN 0.382 nan 8.150 nan 0.000 0.502 342 K N 0.628 121.087 120.400 0.099 0.000 2.103 342 K HA -0.107 4.059 4.320 -0.256 0.000 0.207 342 K C 1.546 178.217 176.600 0.118 0.000 1.048 342 K CA 1.700 58.039 56.287 0.088 0.000 0.930 342 K CB -0.623 31.910 32.500 0.055 0.000 0.716 342 K HN 0.324 nan 8.250 nan 0.000 0.444 343 G N -0.871 108.012 108.800 0.139 0.000 3.155 343 G HA2 -0.109 3.698 3.960 -0.256 0.000 0.213 343 G HA3 -0.109 3.698 3.960 -0.256 0.000 0.213 343 G C -0.571 174.438 174.900 0.183 0.000 1.196 343 G CA -0.206 44.973 45.100 0.132 0.000 0.846 343 G HN 0.309 nan 8.290 nan 0.000 0.516 344 Y N 1.488 121.851 120.300 0.105 0.000 2.326 344 Y HA 0.520 4.917 4.550 -0.256 0.000 0.337 344 Y C -0.329 175.628 175.900 0.096 0.000 1.023 344 Y CA -1.399 56.782 58.100 0.135 0.000 1.143 344 Y CB 1.093 39.728 38.460 0.292 0.000 1.183 344 Y HN -0.223 nan 8.280 nan 0.000 0.485 345 K N 8.296 128.338 120.400 -0.596 0.000 2.264 345 K HA 0.307 4.473 4.320 -0.256 0.000 0.277 345 K C -2.686 173.367 176.600 -0.912 0.000 1.067 345 K CA -2.451 53.510 56.287 -0.544 0.000 0.900 345 K CB 0.975 33.312 32.500 -0.272 0.000 1.124 345 K HN 0.518 nan 8.250 nan 0.000 0.469 346 P HA -0.016 nan 4.420 nan 0.000 0.257 346 P C -0.284 176.967 177.300 -0.082 0.000 1.359 346 P CA -0.159 62.813 63.100 -0.212 0.000 1.239 346 P CB -0.018 31.705 31.700 0.039 0.000 1.549 347 V N 6.460 126.339 119.914 -0.058 0.000 2.625 347 V HA -0.057 3.909 4.120 -0.256 0.000 0.305 347 V C -1.107 175.035 176.094 0.079 0.000 1.055 347 V CA -0.636 61.686 62.300 0.036 0.000 1.209 347 V CB -0.691 31.190 31.823 0.098 0.000 0.877 347 V HN 0.492 nan 8.190 nan 0.000 0.489 348 P HA 0.241 nan 4.420 nan 0.000 0.270 348 P C -0.558 176.776 177.300 0.057 0.000 1.223 348 P CA -0.040 63.090 63.100 0.050 0.000 0.785 348 P CB 0.957 32.677 31.700 0.033 0.000 0.923 349 V N -1.929 118.008 119.914 0.039 0.000 2.732 349 V HA 0.559 4.525 4.120 -0.256 0.000 0.310 349 V C -2.470 173.640 176.094 0.025 0.000 1.053 349 V CA -2.740 59.570 62.300 0.017 0.000 0.957 349 V CB 0.239 32.010 31.823 -0.085 0.000 1.018 349 V HN 0.353 nan 8.190 nan 0.000 0.452 350 P HA 0.270 nan 4.420 nan 0.000 0.267 350 P C -0.369 176.944 177.300 0.021 0.000 1.201 350 P CA 0.425 63.554 63.100 0.050 0.000 0.775 350 P CB 0.351 32.110 31.700 0.097 0.000 0.854 351 S N 0.625 116.349 115.700 0.041 0.000 2.595 351 S HA 0.421 4.737 4.470 -0.256 0.000 0.281 351 S C -0.868 173.780 174.600 0.081 0.000 1.117 351 S CA -0.846 57.394 58.200 0.066 0.000 0.873 351 S CB 1.751 64.990 63.200 0.064 0.000 1.108 351 S HN 0.333 nan 8.310 nan 0.000 0.477 352 E N 1.475 121.761 120.200 0.143 0.000 2.202 352 E HA 0.440 4.636 4.350 -0.256 0.000 0.272 352 E C -2.564 174.106 176.600 0.116 0.000 0.951 352 E CA -2.289 54.206 56.400 0.157 0.000 0.813 352 E CB 0.533 30.390 29.700 0.261 0.000 1.151 352 E HN 0.269 nan 8.360 nan 0.000 0.398 353 P HA -0.057 nan 4.420 nan 0.000 0.263 353 P C 0.399 177.660 177.300 -0.065 0.000 1.175 353 P CA 0.496 63.610 63.100 0.023 0.000 0.761 353 P CB 0.603 32.326 31.700 0.038 0.000 0.794 354 E N 1.735 121.798 120.200 -0.228 0.000 2.318 354 E HA -0.043 4.153 4.350 -0.256 0.000 0.193 354 E C 0.135 176.252 176.600 -0.806 0.000 0.998 354 E CA 0.814 56.823 56.400 -0.652 0.000 0.859 354 E CB 0.204 29.542 29.700 -0.603 0.000 0.812 354 E HN 0.515 nan 8.360 nan 0.000 0.492 355 H N -0.940 118.072 119.070 -0.097 0.000 2.985 355 H HA 0.311 4.713 4.556 -0.256 0.000 0.360 355 H C -0.603 174.690 175.328 -0.059 0.000 1.221 355 H CA -0.975 55.027 56.048 -0.076 0.000 1.121 355 H CB 0.857 30.592 29.762 -0.045 0.000 1.854 355 H HN -0.027 nan 8.280 nan 0.000 0.551 356 N N 0.979 119.698 118.700 0.033 0.000 2.467 356 N HA 0.033 4.619 4.740 -0.256 0.000 0.262 356 N C -0.046 175.533 175.510 0.115 0.000 1.234 356 N CA -0.096 52.967 53.050 0.022 0.000 0.952 356 N CB 1.093 39.509 38.487 -0.119 0.000 1.158 356 N HN 0.519 nan 8.380 nan 0.000 0.463 357 E N 0.283 120.563 120.200 0.133 0.000 2.392 357 E HA 0.198 4.394 4.350 -0.256 0.000 0.264 357 E C -0.195 176.503 176.600 0.163 0.000 1.024 357 E CA -0.429 56.045 56.400 0.124 0.000 0.903 357 E CB 0.649 30.410 29.700 0.102 0.000 0.963 357 E HN 0.529 nan 8.360 nan 0.000 0.432 358 A N 2.624 125.516 122.820 0.120 0.000 2.540 358 A HA 0.264 4.430 4.320 -0.256 0.000 0.239 358 A C 0.068 177.709 177.584 0.094 0.000 1.061 358 A CA -0.224 51.884 52.037 0.119 0.000 0.758 358 A CB -0.106 18.939 19.000 0.074 0.000 0.991 358 A HN 0.409 nan 8.150 nan 0.000 0.502 359 V N -1.057 118.905 119.914 0.080 0.000 3.160 359 V HA 0.909 4.875 4.120 -0.256 0.000 0.310 359 V C 0.399 176.480 176.094 -0.022 0.000 1.181 359 V CA -0.765 61.538 62.300 0.004 0.000 1.047 359 V CB 0.945 32.732 31.823 -0.061 0.000 1.068 359 V HN 1.835 nan 8.190 nan 0.000 0.441 360 A N 0.289 123.080 122.820 -0.047 0.000 2.483 360 A HA 0.298 4.464 4.320 -0.256 0.000 0.238 360 A C 0.788 178.330 177.584 -0.071 0.000 1.070 360 A CA 0.460 52.469 52.037 -0.046 0.000 0.770 360 A CB -0.310 18.661 19.000 -0.048 0.000 1.008 360 A HN 0.984 nan 8.150 nan 0.000 0.497 361 D N 0.703 121.077 120.400 -0.044 0.000 2.264 361 D HA -0.106 4.380 4.640 -0.256 0.000 0.208 361 D C 2.218 178.475 176.300 -0.073 0.000 0.966 361 D CA 1.832 55.805 54.000 -0.046 0.000 0.864 361 D CB -0.050 40.742 40.800 -0.013 0.000 0.933 361 D HN 0.648 nan 8.370 nan 0.000 0.499 362 S N -0.846 114.812 115.700 -0.069 0.000 2.515 362 S HA -0.045 4.271 4.470 -0.256 0.000 0.231 362 S C 0.973 175.509 174.600 -0.106 0.000 0.987 362 S CA 0.080 58.237 58.200 -0.071 0.000 0.936 362 S CB -0.510 62.659 63.200 -0.051 0.000 0.766 362 S HN -0.048 nan 8.310 nan 0.000 0.528 363 T N 5.220 119.682 114.554 -0.154 0.000 2.831 363 T HA 0.215 4.411 4.350 -0.256 0.000 0.291 363 T C -2.575 171.982 174.700 -0.239 0.000 0.981 363 T CA -0.613 61.364 62.100 -0.206 0.000 1.174 363 T CB 0.396 69.091 68.868 -0.289 0.000 0.929 363 T HN 0.258 nan 8.240 nan 0.000 0.532 364 P HA 0.112 nan 4.420 nan 0.000 0.268 364 P C 0.019 177.184 177.300 -0.225 0.000 1.204 364 P CA -0.319 62.687 63.100 -0.156 0.000 0.768 364 P CB 0.358 31.999 31.700 -0.098 0.000 0.842 365 L N 3.846 124.945 121.223 -0.207 0.000 2.490 365 L HA 0.079 4.265 4.340 -0.256 0.000 0.274 365 L C 1.031 177.825 176.870 -0.127 0.000 1.201 365 L CA 0.651 55.359 54.840 -0.219 0.000 0.869 365 L CB -0.042 41.947 42.059 -0.117 0.000 1.123 365 L HN 0.270 nan 8.230 nan 0.000 0.484 366 K N 2.639 122.980 120.400 -0.099 0.000 2.435 366 K HA 0.271 4.437 4.320 -0.256 0.000 0.251 366 K C 0.255 176.844 176.600 -0.019 0.000 0.954 366 K CA -0.787 55.480 56.287 -0.034 0.000 0.820 366 K CB 1.832 34.325 32.500 -0.013 0.000 1.292 366 K HN 0.460 nan 8.250 nan 0.000 0.436 367 Q N 0.636 120.437 119.800 0.001 0.000 2.084 367 Q HA -0.204 3.983 4.340 -0.256 0.000 0.202 367 Q C 1.235 177.264 176.000 0.047 0.000 0.978 367 Q CA 1.711 57.508 55.803 -0.010 0.000 0.844 367 Q CB 0.176 29.041 28.738 0.211 0.000 0.898 367 Q HN 0.509 nan 8.270 nan 0.000 0.426 368 E N 0.242 120.513 120.200 0.119 0.000 2.085 368 E HA -0.202 3.994 4.350 -0.256 0.000 0.194 368 E C 1.429 178.076 176.600 0.080 0.000 0.994 368 E CA 1.324 57.801 56.400 0.128 0.000 0.801 368 E CB -0.330 29.427 29.700 0.096 0.000 0.743 368 E HN 0.423 nan 8.360 nan 0.000 0.453 369 W N -0.283 120.942 121.300 -0.125 0.000 2.378 369 W HA -0.178 4.328 4.660 -0.257 0.000 0.313 369 W C 2.036 178.350 176.519 -0.341 0.000 1.197 369 W CA 1.769 59.002 57.345 -0.186 0.000 1.304 369 W CB -0.478 28.868 29.460 -0.191 0.000 1.148 369 W HN -0.077 nan 8.180 nan 0.000 0.494 370 V N 0.430 120.178 119.914 -0.277 0.000 2.252 370 V HA -0.380 3.586 4.120 -0.256 0.000 0.249 370 V C 1.854 177.408 176.094 -0.900 0.000 1.056 370 V CA 2.452 64.235 62.300 -0.861 0.000 1.022 370 V CB -1.298 29.906 31.823 -1.031 0.000 0.641 370 V HN 0.396 nan 8.190 nan 0.000 0.445 371 W N -0.361 120.744 121.300 -0.325 0.000 2.363 371 W HA -0.182 4.323 4.660 -0.257 0.000 0.296 371 W C 2.871 179.244 176.519 -0.244 0.000 1.212 371 W CA 1.375 58.550 57.345 -0.283 0.000 1.260 371 W CB -0.904 28.431 29.460 -0.209 0.000 1.131 371 W HN 0.153 nan 8.180 nan 0.000 0.530 372 T N -0.059 114.441 114.554 -0.089 0.000 2.708 372 T HA -0.290 3.906 4.350 -0.256 0.000 0.266 372 T C 1.841 176.398 174.700 -0.239 0.000 1.037 372 T CA 1.965 63.988 62.100 -0.127 0.000 1.146 372 T CB -0.243 68.533 68.868 -0.154 0.000 0.865 372 T HN 0.017 nan 8.240 nan 0.000 0.435 373 Q N 0.237 119.704 119.800 -0.556 0.000 2.291 373 Q HA 0.005 4.191 4.340 -0.256 0.000 0.206 373 Q C 2.110 178.046 176.000 -0.106 0.000 0.976 373 Q CA 1.016 56.479 55.803 -0.567 0.000 0.875 373 Q CB -0.531 27.385 28.738 -1.369 0.000 0.927 373 Q HN 0.460 nan 8.270 nan 0.000 0.450 374 V N -0.351 119.529 119.914 -0.057 0.000 2.392 374 V HA -0.243 3.723 4.120 -0.256 0.000 0.249 374 V C 2.127 178.393 176.094 0.286 0.000 1.059 374 V CA 1.808 64.246 62.300 0.230 0.000 1.051 374 V CB -1.254 30.651 31.823 0.137 0.000 0.658 374 V HN 0.608 nan 8.190 nan 0.000 0.455 375 G N 0.044 108.958 108.800 0.190 0.000 2.507 375 G HA2 -0.266 3.540 3.960 -0.256 0.000 0.221 375 G HA3 -0.266 3.540 3.960 -0.256 0.000 0.221 375 G C 1.383 176.383 174.900 0.165 0.000 1.119 375 G CA 0.963 46.177 45.100 0.190 0.000 0.751 375 G HN 0.575 nan 8.290 nan 0.000 0.574 376 E N -0.311 119.998 120.200 0.181 0.000 2.208 376 E HA -0.037 4.159 4.350 -0.256 0.000 0.193 376 E C 1.995 178.740 176.600 0.243 0.000 0.988 376 E CA 0.388 56.909 56.400 0.202 0.000 0.828 376 E CB -0.225 29.602 29.700 0.212 0.000 0.763 376 E HN 0.585 nan 8.360 nan 0.000 0.478 377 F N 1.480 121.516 119.950 0.143 0.000 2.317 377 F HA 0.131 4.504 4.527 -0.257 0.000 0.293 377 F C 0.943 176.785 175.800 0.070 0.000 1.085 377 F CA 0.043 58.118 58.000 0.125 0.000 1.390 377 F CB 0.124 39.226 39.000 0.171 0.000 1.077 377 F HN -0.212 nan 8.300 nan 0.000 0.517 378 L N 2.735 123.952 121.223 -0.008 0.000 2.499 378 L HA 0.122 4.308 4.340 -0.256 0.000 0.281 378 L C 0.305 177.060 176.870 -0.191 0.000 1.234 378 L CA 0.160 54.908 54.840 -0.154 0.000 0.839 378 L CB 0.202 42.270 42.059 0.013 0.000 1.104 378 L HN 0.222 nan 8.230 nan 0.000 0.500 379 R N 0.748 121.112 120.500 -0.226 0.000 2.836 379 R HA 0.442 4.628 4.340 -0.256 0.000 0.269 379 R C -1.089 175.139 176.300 -0.121 0.000 1.010 379 R CA -1.013 54.994 56.100 -0.155 0.000 0.930 379 R CB 1.217 31.410 30.300 -0.179 0.000 1.218 379 R HN 0.462 nan 8.270 nan 0.000 0.473 380 E N 0.184 120.337 120.200 -0.079 0.000 2.529 380 E HA 0.093 4.289 4.350 -0.256 0.000 0.259 380 E C 0.503 177.062 176.600 -0.069 0.000 0.966 380 E CA 1.601 57.964 56.400 -0.061 0.000 0.937 380 E CB 0.417 30.094 29.700 -0.039 0.000 0.923 380 E HN 0.909 nan 8.360 nan 0.000 0.468 381 G N 3.334 112.097 108.800 -0.063 0.000 2.213 381 G HA2 -0.211 3.595 3.960 -0.256 0.000 0.236 381 G HA3 -0.211 3.595 3.960 -0.256 0.000 0.236 381 G C -0.012 174.851 174.900 -0.061 0.000 0.991 381 G CA -0.136 44.933 45.100 -0.052 0.000 0.629 381 G HN 0.565 nan 8.290 nan 0.000 0.517 382 D N 0.301 120.642 120.400 -0.099 0.000 2.423 382 D HA 0.417 4.903 4.640 -0.256 0.000 0.238 382 D C 0.559 176.816 176.300 -0.073 0.000 1.142 382 D CA 0.327 54.262 54.000 -0.108 0.000 0.884 382 D CB 1.569 42.265 40.800 -0.174 0.000 1.199 382 D HN 0.204 nan 8.370 nan 0.000 0.438 383 V N 2.559 122.460 119.914 -0.021 0.000 2.370 383 V HA 0.282 4.248 4.120 -0.256 0.000 0.283 383 V C 0.071 176.176 176.094 0.019 0.000 1.023 383 V CA -0.716 61.609 62.300 0.041 0.000 0.857 383 V CB 1.728 33.610 31.823 0.098 0.000 0.985 383 V HN 0.210 nan 8.190 nan 0.000 0.443 384 V N 6.862 126.764 119.914 -0.020 0.000 2.378 384 V HA 0.534 4.500 4.120 -0.256 0.000 0.288 384 V C -0.227 175.950 176.094 0.139 0.000 1.016 384 V CA -0.360 61.980 62.300 0.066 0.000 0.840 384 V CB 1.604 33.406 31.823 -0.036 0.000 0.994 384 V HN 0.684 nan 8.190 nan 0.000 0.431 385 I N 4.659 125.345 120.570 0.193 0.000 2.433 385 I HA 0.633 4.649 4.170 -0.256 0.000 0.292 385 I C -0.007 176.268 176.117 0.263 0.000 1.001 385 I CA -0.333 61.070 61.300 0.171 0.000 1.119 385 I CB 2.320 40.376 38.000 0.094 0.000 1.289 385 I HN 0.683 nan 8.210 nan 0.000 0.438 386 T N 0.846 115.527 114.554 0.211 0.000 2.881 386 T HA 0.508 4.705 4.350 -0.256 0.000 0.290 386 T C -0.685 174.083 174.700 0.113 0.000 1.000 386 T CA -0.856 61.365 62.100 0.202 0.000 0.978 386 T CB 2.298 71.210 68.868 0.074 0.000 0.997 386 T HN 0.482 nan 8.240 nan 0.000 0.443 387 E N 1.910 122.184 120.200 0.123 0.000 2.277 387 E HA 0.431 4.628 4.350 -0.256 0.000 0.274 387 E C -0.178 176.421 176.600 -0.001 0.000 1.022 387 E CA -0.315 56.135 56.400 0.082 0.000 0.853 387 E CB 0.830 30.592 29.700 0.103 0.000 1.086 387 E HN 0.682 nan 8.360 nan 0.000 0.397 388 T N 2.878 117.409 114.554 -0.038 0.000 2.849 388 T HA 0.420 4.616 4.350 -0.256 0.000 0.289 388 T C 0.314 174.984 174.700 -0.051 0.000 1.010 388 T CA 1.094 63.131 62.100 -0.104 0.000 1.161 388 T CB -0.322 68.482 68.868 -0.106 0.000 0.989 388 T HN 0.773 nan 8.240 nan 0.000 0.523 389 G N 2.650 111.419 108.800 -0.050 0.000 2.316 389 G HA2 0.005 3.811 3.960 -0.256 0.000 0.349 389 G HA3 0.005 3.811 3.960 -0.256 0.000 0.349 389 G C 0.852 175.817 174.900 0.109 0.000 1.274 389 G CA 0.250 45.386 45.100 0.060 0.000 1.018 389 G HN 0.845 nan 8.290 nan 0.000 0.486 390 T N -1.673 112.983 114.554 0.170 0.000 2.881 390 T HA -0.022 4.174 4.350 -0.256 0.000 0.270 390 T C 2.384 177.123 174.700 0.065 0.000 1.068 390 T CA 2.634 64.850 62.100 0.193 0.000 1.131 390 T CB -0.372 68.627 68.868 0.219 0.000 0.871 390 T HN 0.810 nan 8.240 nan 0.000 0.479 391 S N 1.961 117.714 115.700 0.088 0.000 2.359 391 S HA 0.010 4.326 4.470 -0.256 0.000 0.224 391 S C 2.621 176.964 174.600 -0.429 0.000 1.035 391 S CA 1.156 59.321 58.200 -0.059 0.000 1.018 391 S CB -0.882 62.464 63.200 0.244 0.000 0.876 391 S HN 0.807 nan 8.310 nan 0.000 0.448 392 A N 0.560 123.198 122.820 -0.303 0.000 1.930 392 A HA 0.001 4.167 4.320 -0.256 0.000 0.217 392 A C 1.819 179.065 177.584 -0.564 0.000 1.175 392 A CA 1.242 53.021 52.037 -0.429 0.000 0.627 392 A CB -0.740 17.976 19.000 -0.473 0.000 0.815 392 A HN 0.463 nan 8.150 nan 0.000 0.443 393 F N 0.199 119.902 119.950 -0.411 0.000 2.206 393 F HA 0.071 4.445 4.527 -0.255 0.000 0.298 393 F C 2.619 178.069 175.800 -0.583 0.000 1.090 393 F CA 0.807 58.546 58.000 -0.436 0.000 1.323 393 F CB -0.927 37.869 39.000 -0.341 0.000 1.028 393 F HN 0.265 nan 8.300 nan 0.000 0.492 394 G N -0.140 108.205 108.800 -0.758 0.000 2.422 394 G HA2 -0.255 3.551 3.960 -0.256 0.000 0.218 394 G HA3 -0.255 3.551 3.960 -0.256 0.000 0.218 394 G C 1.668 175.751 174.900 -1.362 0.000 1.146 394 G CA 0.725 44.860 45.100 -1.608 0.000 0.769 394 G HN 0.311 nan 8.290 nan 0.000 0.547 395 I N 1.313 121.169 120.570 -1.190 0.000 2.700 395 I HA -0.068 3.948 4.170 -0.256 0.000 0.261 395 I C 1.836 177.706 176.117 -0.412 0.000 1.219 395 I CA 0.590 61.516 61.300 -0.624 0.000 1.463 395 I CB -0.112 37.665 38.000 -0.373 0.000 1.092 395 I HN 0.014 nan 8.210 nan 0.000 0.452 396 N N 0.233 118.702 118.700 -0.386 0.000 2.453 396 N HA -0.164 4.422 4.740 -0.256 0.000 0.183 396 N C 1.466 176.829 175.510 -0.244 0.000 1.041 396 N CA 0.791 53.673 53.050 -0.281 0.000 0.900 396 N CB -0.038 38.330 38.487 -0.198 0.000 0.961 396 N HN 0.462 nan 8.380 nan 0.000 0.443 397 Q N -0.622 119.043 119.800 -0.226 0.000 2.384 397 Q HA 0.180 4.366 4.340 -0.256 0.000 0.207 397 Q C 0.022 175.924 176.000 -0.163 0.000 0.904 397 Q CA 0.252 55.960 55.803 -0.158 0.000 0.933 397 Q CB 0.296 28.994 28.738 -0.067 0.000 1.077 397 Q HN 0.080 nan 8.270 nan 0.000 0.522 398 T N 1.459 115.921 114.554 -0.154 0.000 2.884 398 T HA 0.105 4.301 4.350 -0.256 0.000 0.298 398 T C -0.285 174.316 174.700 -0.166 0.000 0.998 398 T CA -0.249 61.828 62.100 -0.038 0.000 1.124 398 T CB 0.333 69.252 68.868 0.085 0.000 0.931 398 T HN 0.179 nan 8.240 nan 0.000 0.531 399 H N 2.966 122.038 119.070 0.004 0.000 2.800 399 H HA 0.155 4.557 4.556 -0.256 0.000 0.291 399 H C -0.214 175.246 175.328 0.219 0.000 1.076 399 H CA -0.224 55.845 56.048 0.035 0.000 1.452 399 H CB 0.250 30.022 29.762 0.017 0.000 1.461 399 H HN 0.345 nan 8.280 nan 0.000 0.488 400 F N 4.871 124.853 119.950 0.054 0.000 2.399 400 F HA 0.182 4.555 4.527 -0.256 0.000 0.342 400 F C -1.528 174.272 175.800 -0.000 0.000 1.106 400 F CA -3.132 54.875 58.000 0.012 0.000 1.196 400 F CB 0.378 39.352 39.000 -0.044 0.000 1.163 400 F HN 0.397 nan 8.300 nan 0.000 0.547 401 P HA 0.061 nan 4.420 nan 0.000 0.275 401 P C -0.365 176.956 177.300 0.034 0.000 1.266 401 P CA -0.479 62.659 63.100 0.063 0.000 0.793 401 P CB 0.578 32.285 31.700 0.011 0.000 1.074 402 N N 0.899 119.604 118.700 0.008 0.000 2.441 402 N HA -0.049 4.537 4.740 -0.256 0.000 0.251 402 N C 0.686 176.190 175.510 -0.010 0.000 1.242 402 N CA 0.580 53.629 53.050 -0.003 0.000 0.898 402 N CB -0.965 37.518 38.487 -0.006 0.000 1.100 402 N HN 0.527 nan 8.380 nan 0.000 0.443 403 N N -0.516 118.182 118.700 -0.003 0.000 2.756 403 N HA -0.187 4.399 4.740 -0.256 0.000 0.248 403 N C -1.440 174.060 175.510 -0.016 0.000 1.062 403 N CA 0.695 53.744 53.050 -0.001 0.000 0.696 403 N CB -1.122 37.358 38.487 -0.010 0.000 0.946 403 N HN 0.468 nan 8.380 nan 0.000 0.548 404 T N 1.742 116.280 114.554 -0.026 0.000 2.771 404 T HA 0.244 4.440 4.350 -0.256 0.000 0.281 404 T C -0.615 174.070 174.700 -0.024 0.000 0.982 404 T CA -0.299 61.727 62.100 -0.123 0.000 0.978 404 T CB 0.786 69.421 68.868 -0.388 0.000 0.930 404 T HN 0.221 nan 8.240 nan 0.000 0.447 405 Y N 2.770 122.991 120.300 -0.133 0.000 2.404 405 Y HA 0.533 4.929 4.550 -0.257 0.000 0.344 405 Y C 0.566 176.444 175.900 -0.036 0.000 0.970 405 Y CA -0.865 57.202 58.100 -0.055 0.000 1.180 405 Y CB 0.383 38.817 38.460 -0.043 0.000 1.138 405 Y HN 0.764 nan 8.280 nan 0.000 0.510 406 G N 6.649 115.191 108.800 -0.430 0.000 2.372 406 G HA2 0.511 4.317 3.960 -0.256 0.000 0.283 406 G HA3 0.511 4.317 3.960 -0.256 0.000 0.283 406 G C -1.014 173.651 174.900 -0.391 0.000 1.177 406 G CA -0.632 44.348 45.100 -0.199 0.000 0.842 406 G HN 0.692 nan 8.290 nan 0.000 0.503 407 I N 1.488 121.990 120.570 -0.114 0.000 2.411 407 I HA 0.382 4.398 4.170 -0.256 0.000 0.284 407 I C -0.076 176.090 176.117 0.083 0.000 1.012 407 I CA -0.397 60.906 61.300 0.004 0.000 1.119 407 I CB 2.044 40.122 38.000 0.130 0.000 1.261 407 I HN 0.417 nan 8.210 nan 0.000 0.448 408 S N 5.414 121.146 115.700 0.054 0.000 2.750 408 S HA 0.185 4.501 4.470 -0.256 0.000 0.276 408 S C -0.550 174.043 174.600 -0.012 0.000 1.165 408 S CA -0.537 57.681 58.200 0.030 0.000 1.047 408 S CB 1.280 64.451 63.200 -0.048 0.000 1.056 408 S HN 0.668 nan 8.310 nan 0.000 0.481 409 Q N 4.929 124.721 119.800 -0.013 0.000 3.184 409 Q HA 0.214 4.401 4.340 -0.256 0.000 0.288 409 Q C 0.666 176.595 176.000 -0.119 0.000 1.412 409 Q CA -0.195 55.526 55.803 -0.137 0.000 0.991 409 Q CB -0.136 28.358 28.738 -0.407 0.000 1.688 409 Q HN 0.726 nan 8.270 nan 0.000 0.554 410 V N 2.321 122.174 119.914 -0.103 0.000 2.427 410 V HA -0.264 3.702 4.120 -0.256 0.000 0.248 410 V C 1.894 177.938 176.094 -0.083 0.000 1.051 410 V CA 1.464 63.697 62.300 -0.112 0.000 1.048 410 V CB -0.400 31.367 31.823 -0.093 0.000 0.666 410 V HN 0.662 nan 8.190 nan 0.000 0.456 411 L N -1.071 120.110 121.223 -0.070 0.000 2.007 411 L HA -0.125 4.061 4.340 -0.256 0.000 0.205 411 L C 2.338 179.213 176.870 0.008 0.000 1.073 411 L CA 1.920 56.710 54.840 -0.082 0.000 0.744 411 L CB -0.288 41.745 42.059 -0.043 0.000 0.898 411 L HN 0.501 nan 8.230 nan 0.000 0.435 412 W N 0.744 121.947 121.300 -0.161 0.000 2.409 412 W HA -0.024 4.482 4.660 -0.255 0.000 0.299 412 W C 1.155 177.594 176.519 -0.133 0.000 1.203 412 W CA 1.026 58.289 57.345 -0.137 0.000 1.298 412 W CB -0.021 29.349 29.460 -0.150 0.000 1.127 412 W HN 0.447 nan 8.180 nan 0.000 0.528 413 G N 1.776 110.490 108.800 -0.143 0.000 2.272 413 G HA2 -0.282 3.524 3.960 -0.256 0.000 0.280 413 G HA3 -0.282 3.524 3.960 -0.256 0.000 0.280 413 G C -0.172 174.559 174.900 -0.282 0.000 1.067 413 G CA 0.523 45.491 45.100 -0.220 0.000 0.902 413 G HN 0.281 nan 8.290 nan 0.000 0.500 414 S N 0.109 115.675 115.700 -0.224 0.000 2.399 414 S HA 0.581 4.897 4.470 -0.256 0.000 0.301 414 S C 1.085 175.654 174.600 -0.051 0.000 1.093 414 S CA -0.450 57.673 58.200 -0.127 0.000 1.077 414 S CB -0.211 63.067 63.200 0.131 0.000 0.980 414 S HN 1.082 nan 8.310 nan 0.000 0.494 415 I N 2.633 123.167 120.570 -0.061 0.000 2.813 415 I HA 0.573 4.589 4.170 -0.256 0.000 0.287 415 I C 1.351 177.473 176.117 0.009 0.000 1.196 415 I CA 0.508 61.786 61.300 -0.035 0.000 1.421 415 I CB 0.097 38.053 38.000 -0.074 0.000 1.365 415 I HN 0.765 nan 8.210 nan 0.000 0.591 416 G N 4.329 113.132 108.800 0.005 0.000 2.284 416 G HA2 -0.372 3.434 3.960 -0.256 0.000 0.230 416 G HA3 -0.372 3.434 3.960 -0.256 0.000 0.230 416 G C 0.565 175.338 174.900 -0.212 0.000 1.021 416 G CA 0.523 45.634 45.100 0.019 0.000 0.619 416 G HN 0.906 nan 8.290 nan 0.000 0.510 417 F N 3.180 122.679 119.950 -0.753 0.000 2.085 417 F HA -0.189 4.183 4.527 -0.259 0.000 0.299 417 F C 2.828 178.322 175.800 -0.510 0.000 1.096 417 F CA 3.533 60.759 58.000 -1.291 0.000 1.227 417 F CB -0.736 37.823 39.000 -0.735 0.000 0.983 417 F HN 0.487 nan 8.300 nan 0.000 0.482 418 T N -3.188 111.150 114.554 -0.360 0.000 2.962 418 T HA -0.141 4.055 4.350 -0.256 0.000 0.270 418 T C 1.770 176.323 174.700 -0.245 0.000 1.088 418 T CA 1.614 63.493 62.100 -0.368 0.000 1.127 418 T CB -1.178 67.642 68.868 -0.079 0.000 0.883 418 T HN 0.381 nan 8.240 nan 0.000 0.493 419 T N 1.157 115.635 114.554 -0.127 0.000 2.821 419 T HA 0.117 4.313 4.350 -0.256 0.000 0.267 419 T C 2.259 176.928 174.700 -0.050 0.000 1.046 419 T CA 1.096 63.177 62.100 -0.032 0.000 1.139 419 T CB -0.841 68.062 68.868 0.059 0.000 0.871 419 T HN 0.595 nan 8.240 nan 0.000 0.454 420 G N 1.106 109.868 108.800 -0.064 0.000 2.395 420 G HA2 0.113 3.919 3.960 -0.256 0.000 0.214 420 G HA3 0.113 3.919 3.960 -0.256 0.000 0.214 420 G C 1.876 176.667 174.900 -0.182 0.000 1.177 420 G CA 0.656 45.741 45.100 -0.024 0.000 0.794 420 G HN 0.547 nan 8.290 nan 0.000 0.532 421 A N 0.635 123.179 122.820 -0.462 0.000 1.917 421 A HA -0.084 4.082 4.320 -0.256 0.000 0.219 421 A C 2.512 179.957 177.584 -0.232 0.000 1.182 421 A CA 2.601 54.321 52.037 -0.530 0.000 0.633 421 A CB -1.139 17.157 19.000 -1.173 0.000 0.819 421 A HN 0.298 nan 8.150 nan 0.000 0.448 422 T N 0.096 114.542 114.554 -0.180 0.000 2.665 422 T HA -0.200 3.996 4.350 -0.256 0.000 0.268 422 T C 1.832 176.513 174.700 -0.030 0.000 1.035 422 T CA 1.624 63.684 62.100 -0.067 0.000 1.151 422 T CB -0.484 68.359 68.868 -0.041 0.000 0.862 422 T HN 0.372 nan 8.240 nan 0.000 0.438 423 L N 1.260 122.470 121.223 -0.023 0.000 1.990 423 L HA -0.037 4.149 4.340 -0.256 0.000 0.213 423 L C 2.624 179.600 176.870 0.176 0.000 1.072 423 L CA 2.344 57.203 54.840 0.030 0.000 0.755 423 L CB -1.196 40.919 42.059 0.094 0.000 0.889 423 L HN 0.304 nan 8.230 nan 0.000 0.432 424 G N -1.292 107.589 108.800 0.136 0.000 2.459 424 G HA2 -0.297 3.509 3.960 -0.256 0.000 0.217 424 G HA3 -0.297 3.509 3.960 -0.256 0.000 0.217 424 G C 1.600 176.683 174.900 0.304 0.000 1.183 424 G CA 0.987 46.227 45.100 0.233 0.000 0.776 424 G HN 0.683 nan 8.290 nan 0.000 0.552 425 A N 1.054 123.943 122.820 0.115 0.000 1.933 425 A HA 0.241 4.408 4.320 -0.256 0.000 0.218 425 A C 2.802 180.428 177.584 0.071 0.000 1.175 425 A CA 2.351 54.429 52.037 0.069 0.000 0.628 425 A CB -0.733 18.297 19.000 0.051 0.000 0.814 425 A HN 0.831 nan 8.150 nan 0.000 0.444 426 A N -1.288 121.567 122.820 0.057 0.000 1.930 426 A HA 0.080 4.246 4.320 -0.256 0.000 0.217 426 A C 1.918 179.520 177.584 0.029 0.000 1.175 426 A CA 1.371 53.406 52.037 -0.003 0.000 0.627 426 A CB -0.667 18.281 19.000 -0.087 0.000 0.815 426 A HN 0.419 nan 8.150 nan 0.000 0.443 427 F N 0.339 120.359 119.950 0.116 0.000 2.051 427 F HA -0.127 4.255 4.527 -0.243 0.000 0.296 427 F C 2.867 178.733 175.800 0.111 0.000 1.122 427 F CA 1.109 59.187 58.000 0.131 0.000 1.201 427 F CB -0.884 38.263 39.000 0.245 0.000 0.978 427 F HN 0.256 nan 8.300 nan 0.000 0.472 428 A N 0.071 123.046 122.820 0.259 0.000 1.873 428 A HA -0.198 3.968 4.320 -0.256 0.000 0.218 428 A C 2.421 179.954 177.584 -0.085 0.000 1.193 428 A CA 2.360 54.287 52.037 -0.183 0.000 0.629 428 A CB -1.512 17.194 19.000 -0.489 0.000 0.826 428 A HN 0.355 nan 8.150 nan 0.000 0.447 429 A N -0.574 122.224 122.820 -0.037 0.000 1.940 429 A HA -0.224 3.942 4.320 -0.256 0.000 0.219 429 A C 2.063 179.645 177.584 -0.004 0.000 1.176 429 A CA 1.926 53.945 52.037 -0.030 0.000 0.631 429 A CB -0.558 18.435 19.000 -0.012 0.000 0.814 429 A HN 0.727 nan 8.150 nan 0.000 0.446 430 E N -0.195 120.023 120.200 0.030 0.000 2.150 430 E HA -0.200 3.997 4.350 -0.256 0.000 0.193 430 E C 1.721 178.347 176.600 0.044 0.000 0.985 430 E CA 1.231 57.657 56.400 0.042 0.000 0.814 430 E CB -0.100 29.640 29.700 0.067 0.000 0.752 430 E HN 0.767 nan 8.360 nan 0.000 0.466 431 E N 0.059 120.286 120.200 0.046 0.000 2.216 431 E HA -0.068 4.128 4.350 -0.256 0.000 0.192 431 E C 2.030 178.630 176.600 -0.001 0.000 0.988 431 E CA 0.666 57.086 56.400 0.033 0.000 0.834 431 E CB 0.151 29.878 29.700 0.045 0.000 0.772 431 E HN 0.354 nan 8.360 nan 0.000 0.479 432 I N 0.347 120.901 120.570 -0.026 0.000 2.277 432 I HA -0.068 3.948 4.170 -0.256 0.000 0.243 432 I C 0.423 176.526 176.117 -0.024 0.000 1.094 432 I CA 0.603 61.879 61.300 -0.040 0.000 1.393 432 I CB 0.493 38.449 38.000 -0.073 0.000 1.078 432 I HN -0.020 nan 8.210 nan 0.000 0.417 433 D N -0.974 119.416 120.400 -0.016 0.000 2.400 433 D HA 0.125 4.611 4.640 -0.256 0.000 0.197 433 D C -2.320 173.979 176.300 -0.002 0.000 1.295 433 D CA -1.234 52.760 54.000 -0.010 0.000 0.878 433 D CB 1.438 42.227 40.800 -0.018 0.000 1.659 433 D HN -0.237 nan 8.370 nan 0.000 0.546 434 P HA -0.047 nan 4.420 nan 0.000 0.228 434 P C 0.987 178.292 177.300 0.008 0.000 1.151 434 P CA 0.581 63.688 63.100 0.012 0.000 0.770 434 P CB 0.408 32.118 31.700 0.017 0.000 0.786 435 K N -0.518 119.882 120.400 0.001 0.000 2.379 435 K HA 0.054 4.220 4.320 -0.256 0.000 0.194 435 K C 0.783 177.380 176.600 -0.005 0.000 1.031 435 K CA 0.069 56.356 56.287 -0.001 0.000 1.037 435 K CB -0.138 32.358 32.500 -0.007 0.000 0.824 435 K HN 0.202 nan 8.250 nan 0.000 0.516 436 K N 1.861 122.257 120.400 -0.008 0.000 2.416 436 K HA 0.036 4.202 4.320 -0.256 0.000 0.283 436 K C -0.454 176.152 176.600 0.010 0.000 1.037 436 K CA 0.035 56.314 56.287 -0.012 0.000 0.995 436 K CB 0.522 33.010 32.500 -0.019 0.000 0.938 436 K HN -0.099 nan 8.250 nan 0.000 0.475 437 R N 2.557 123.061 120.500 0.007 0.000 2.404 437 R HA 0.323 4.509 4.340 -0.256 0.000 0.291 437 R C -0.809 175.532 176.300 0.068 0.000 1.025 437 R CA -0.866 55.274 56.100 0.067 0.000 0.991 437 R CB 1.653 31.956 30.300 0.006 0.000 1.053 437 R HN 0.324 nan 8.270 nan 0.000 0.479 438 V N 4.936 124.931 119.914 0.134 0.000 2.409 438 V HA 0.394 4.360 4.120 -0.256 0.000 0.291 438 V C -0.164 176.042 176.094 0.187 0.000 1.020 438 V CA -0.615 61.752 62.300 0.112 0.000 0.848 438 V CB 1.484 33.350 31.823 0.072 0.000 0.990 438 V HN 0.595 nan 8.190 nan 0.000 0.430 439 I N 5.965 126.616 120.570 0.135 0.000 2.382 439 I HA 0.421 4.437 4.170 -0.256 0.000 0.286 439 I C -0.648 175.481 176.117 0.020 0.000 1.002 439 I CA -0.518 60.861 61.300 0.133 0.000 1.135 439 I CB 1.709 39.782 38.000 0.122 0.000 1.288 439 I HN 0.425 nan 8.210 nan 0.000 0.448 440 L N 7.592 128.812 121.223 -0.005 0.000 2.295 440 L HA 0.591 4.777 4.340 -0.256 0.000 0.285 440 L C -1.408 175.361 176.870 -0.169 0.000 1.035 440 L CA 0.143 54.976 54.840 -0.010 0.000 0.806 440 L CB 0.737 42.825 42.059 0.049 0.000 1.214 440 L HN 0.268 nan 8.230 nan 0.000 0.426 441 F N 6.641 126.775 119.950 0.307 0.000 2.382 441 F HA 0.536 4.910 4.527 -0.256 0.000 0.361 441 F C -0.064 175.890 175.800 0.258 0.000 1.109 441 F CA -0.389 57.819 58.000 0.347 0.000 1.031 441 F CB 1.222 40.487 39.000 0.442 0.000 1.234 441 F HN 0.327 nan 8.300 nan 0.000 0.445 442 I N 1.997 122.778 120.570 0.350 0.000 2.545 442 I HA 0.692 4.708 4.170 -0.256 0.000 0.292 442 I C 0.262 176.503 176.117 0.207 0.000 1.040 442 I CA -0.568 60.870 61.300 0.231 0.000 1.068 442 I CB 1.532 39.621 38.000 0.148 0.000 1.251 442 I HN 0.618 nan 8.210 nan 0.000 0.424 443 G N 4.238 113.145 108.800 0.179 0.000 2.491 443 G HA2 0.031 3.837 3.960 -0.256 0.000 0.242 443 G HA3 0.031 3.837 3.960 -0.256 0.000 0.242 443 G C 0.778 175.738 174.900 0.101 0.000 1.266 443 G CA 0.148 45.341 45.100 0.155 0.000 0.844 443 G HN 0.845 nan 8.290 nan 0.000 0.571 444 D N 1.233 121.672 120.400 0.065 0.000 2.190 444 D HA -0.146 4.340 4.640 -0.256 0.000 0.200 444 D C 2.057 178.381 176.300 0.040 0.000 0.992 444 D CA 1.637 55.652 54.000 0.026 0.000 0.854 444 D CB -0.779 40.056 40.800 0.059 0.000 0.936 444 D HN 0.456 nan 8.370 nan 0.000 0.462 445 G N 0.111 108.992 108.800 0.135 0.000 2.424 445 G HA2 -0.205 3.601 3.960 -0.256 0.000 0.214 445 G HA3 -0.205 3.601 3.960 -0.256 0.000 0.214 445 G C 1.876 176.888 174.900 0.186 0.000 1.202 445 G CA 1.042 46.311 45.100 0.281 0.000 0.793 445 G HN 0.360 nan 8.290 nan 0.000 0.534 446 S N 0.492 116.270 115.700 0.129 0.000 2.370 446 S HA -0.143 4.173 4.470 -0.256 0.000 0.226 446 S C 2.202 176.858 174.600 0.093 0.000 1.033 446 S CA 1.176 59.423 58.200 0.078 0.000 1.011 446 S CB -0.366 62.871 63.200 0.062 0.000 0.852 446 S HN 0.234 nan 8.310 nan 0.000 0.457 447 L N 2.200 123.481 121.223 0.096 0.000 2.051 447 L HA -0.226 3.960 4.340 -0.256 0.000 0.214 447 L C 2.213 179.189 176.870 0.177 0.000 1.076 447 L CA 1.818 56.741 54.840 0.139 0.000 0.758 447 L CB -0.819 41.332 42.059 0.153 0.000 0.890 447 L HN 0.349 nan 8.230 nan 0.000 0.433 448 Q N -1.277 118.540 119.800 0.029 0.000 2.170 448 Q HA -0.207 3.980 4.340 -0.256 0.000 0.203 448 Q C 2.103 178.256 176.000 0.254 0.000 0.976 448 Q CA 1.456 57.264 55.803 0.008 0.000 0.858 448 Q CB -0.241 28.298 28.738 -0.332 0.000 0.907 448 Q HN 0.439 nan 8.270 nan 0.000 0.433 449 L N -0.185 121.154 121.223 0.193 0.000 2.217 449 L HA -0.076 4.110 4.340 -0.256 0.000 0.211 449 L C 1.919 178.930 176.870 0.235 0.000 1.107 449 L CA 1.680 56.644 54.840 0.206 0.000 0.783 449 L CB -0.150 42.014 42.059 0.176 0.000 0.919 449 L HN 0.287 nan 8.230 nan 0.000 0.442 450 T N -6.640 108.058 114.554 0.240 0.000 3.275 450 T HA 0.124 4.320 4.350 -0.256 0.000 0.298 450 T C 1.295 176.123 174.700 0.212 0.000 0.988 450 T CA 0.211 62.449 62.100 0.229 0.000 0.936 450 T CB -0.280 68.736 68.868 0.246 0.000 1.159 450 T HN -0.117 nan 8.240 nan 0.000 0.519 451 V N 2.719 122.808 119.914 0.292 0.000 2.453 451 V HA -0.251 3.715 4.120 -0.256 0.000 0.252 451 V C 2.774 179.008 176.094 0.233 0.000 1.068 451 V CA 2.637 65.150 62.300 0.356 0.000 1.070 451 V CB -0.425 31.759 31.823 0.600 0.000 0.664 451 V HN 0.754 nan 8.190 nan 0.000 0.461 452 Q N -0.733 119.115 119.800 0.081 0.000 2.364 452 Q HA -0.248 3.938 4.340 -0.256 0.000 0.209 452 Q C 1.747 177.572 176.000 -0.291 0.000 0.977 452 Q CA 1.819 57.448 55.803 -0.291 0.000 0.885 452 Q CB -0.469 28.146 28.738 -0.205 0.000 0.941 452 Q HN 0.609 nan 8.270 nan 0.000 0.464 453 E N 1.235 121.394 120.200 -0.068 0.000 2.347 453 E HA 0.041 4.237 4.350 -0.256 0.000 0.196 453 E C 1.817 178.400 176.600 -0.029 0.000 1.008 453 E CA 0.314 56.696 56.400 -0.029 0.000 0.852 453 E CB -0.336 29.390 29.700 0.043 0.000 0.783 453 E HN 0.481 nan 8.360 nan 0.000 0.505 454 I N -0.065 120.499 120.570 -0.011 0.000 2.236 454 I HA -0.357 3.659 4.170 -0.256 0.000 0.249 454 I C 2.363 178.466 176.117 -0.022 0.000 1.102 454 I CA 1.463 62.793 61.300 0.050 0.000 1.365 454 I CB -0.430 37.712 38.000 0.237 0.000 1.051 454 I HN 0.142 nan 8.210 nan 0.000 0.420 455 S N 0.286 115.820 115.700 -0.277 0.000 2.368 455 S HA -0.194 4.123 4.470 -0.256 0.000 0.225 455 S C 2.004 176.570 174.600 -0.057 0.000 1.030 455 S CA 2.250 60.299 58.200 -0.252 0.000 0.999 455 S CB -0.385 62.499 63.200 -0.528 0.000 0.844 455 S HN 0.478 nan 8.310 nan 0.000 0.459 456 T N 2.097 116.644 114.554 -0.012 0.000 2.951 456 T HA 0.081 4.277 4.350 -0.256 0.000 0.268 456 T C 1.801 176.596 174.700 0.159 0.000 1.073 456 T CA 1.320 63.496 62.100 0.127 0.000 1.134 456 T CB -0.275 68.696 68.868 0.171 0.000 0.884 456 T HN 0.413 nan 8.240 nan 0.000 0.479 457 M N 0.496 120.127 119.600 0.051 0.000 2.086 457 M HA 0.024 4.350 4.480 -0.256 0.000 0.261 457 M C 2.153 178.465 176.300 0.019 0.000 1.067 457 M CA 1.650 56.945 55.300 -0.009 0.000 1.116 457 M CB -0.615 31.969 32.600 -0.027 0.000 1.348 457 M HN 0.190 nan 8.290 nan 0.000 0.407 458 I N -0.587 119.999 120.570 0.027 0.000 2.226 458 I HA -0.297 3.719 4.170 -0.256 0.000 0.245 458 I C 2.750 178.870 176.117 0.004 0.000 1.100 458 I CA 1.215 62.527 61.300 0.020 0.000 1.374 458 I CB -0.539 37.480 38.000 0.031 0.000 1.057 458 I HN 0.293 nan 8.210 nan 0.000 0.413 459 R N 0.256 120.759 120.500 0.005 0.000 2.105 459 R HA -0.199 3.987 4.340 -0.256 0.000 0.239 459 R C 1.565 177.714 176.300 -0.252 0.000 1.135 459 R CA 1.784 57.819 56.100 -0.109 0.000 0.967 459 R CB -0.192 30.066 30.300 -0.071 0.000 0.861 459 R HN 0.398 nan 8.270 nan 0.000 0.442 460 W N -0.387 120.912 121.300 -0.002 0.000 3.316 460 W HA 0.266 4.765 4.660 -0.269 0.000 0.327 460 W C 0.990 177.483 176.519 -0.044 0.000 1.232 460 W CA 0.478 57.825 57.345 0.003 0.000 1.805 460 W CB 0.419 29.890 29.460 0.017 0.000 1.090 460 W HN 0.319 nan 8.180 nan 0.000 0.654 461 G N 1.355 110.202 108.800 0.078 0.000 2.225 461 G HA2 -0.324 3.482 3.960 -0.256 0.000 0.267 461 G HA3 -0.324 3.482 3.960 -0.256 0.000 0.267 461 G C 0.106 175.018 174.900 0.021 0.000 1.024 461 G CA -0.126 44.996 45.100 0.037 0.000 0.784 461 G HN 0.199 nan 8.290 nan 0.000 0.507 462 L N -1.284 119.932 121.223 -0.012 0.000 2.436 462 L HA 0.474 4.660 4.340 -0.256 0.000 0.265 462 L C 1.006 177.830 176.870 -0.077 0.000 1.168 462 L CA -0.134 54.659 54.840 -0.078 0.000 0.815 462 L CB 0.908 42.846 42.059 -0.201 0.000 1.109 462 L HN 0.095 nan 8.230 nan 0.000 0.462 463 K N 1.601 121.948 120.400 -0.088 0.000 3.167 463 K HA 0.254 4.420 4.320 -0.256 0.000 0.208 463 K C -2.416 174.077 176.600 -0.179 0.000 1.159 463 K CA -1.196 55.010 56.287 -0.135 0.000 1.018 463 K CB 0.144 32.567 32.500 -0.128 0.000 0.927 463 K HN 0.313 nan 8.250 nan 0.000 0.476 464 P HA -0.071 nan 4.420 nan 0.000 0.270 464 P C -0.779 176.397 177.300 -0.207 0.000 1.223 464 P CA -0.032 63.030 63.100 -0.063 0.000 0.785 464 P CB 0.490 32.174 31.700 -0.027 0.000 0.923 465 Y N 0.919 121.166 120.300 -0.089 0.000 2.425 465 Y HA 0.293 4.689 4.550 -0.257 0.000 0.347 465 Y C 0.641 176.444 175.900 -0.162 0.000 0.976 465 Y CA -0.166 57.829 58.100 -0.176 0.000 1.190 465 Y CB 0.313 38.735 38.460 -0.063 0.000 1.136 465 Y HN 0.048 nan 8.280 nan 0.000 0.517 466 L N 5.569 126.714 121.223 -0.130 0.000 2.297 466 L HA 0.376 4.562 4.340 -0.256 0.000 0.277 466 L C -1.022 175.774 176.870 -0.124 0.000 1.040 466 L CA -0.376 54.427 54.840 -0.062 0.000 0.867 466 L CB 0.069 42.110 42.059 -0.030 0.000 1.244 466 L HN 0.493 nan 8.230 nan 0.000 0.433 467 F N 2.484 122.400 119.950 -0.057 0.000 2.413 467 F HA 0.270 4.643 4.527 -0.257 0.000 0.359 467 F C 0.403 176.259 175.800 0.094 0.000 1.122 467 F CA -0.396 57.618 58.000 0.022 0.000 1.160 467 F CB 1.104 40.105 39.000 0.002 0.000 1.146 467 F HN 0.063 nan 8.300 nan 0.000 0.514 468 V N 5.744 125.769 119.914 0.185 0.000 2.370 468 V HA 0.250 4.216 4.120 -0.256 0.000 0.279 468 V C 0.135 176.299 176.094 0.117 0.000 1.029 468 V CA -0.791 61.556 62.300 0.079 0.000 0.870 468 V CB 1.419 33.157 31.823 -0.143 0.000 0.984 468 V HN 0.475 nan 8.190 nan 0.000 0.451 469 L N 4.890 126.207 121.223 0.157 0.000 2.268 469 L HA 0.407 4.594 4.340 -0.256 0.000 0.289 469 L C 0.303 177.234 176.870 0.102 0.000 1.064 469 L CA -0.230 54.713 54.840 0.171 0.000 0.824 469 L CB 0.539 42.741 42.059 0.239 0.000 1.202 469 L HN 0.578 nan 8.230 nan 0.000 0.433 470 N N 3.769 122.522 118.700 0.089 0.000 2.521 470 N HA 0.065 4.651 4.740 -0.256 0.000 0.236 470 N C 0.012 175.580 175.510 0.096 0.000 1.067 470 N CA -0.315 52.792 53.050 0.095 0.000 0.939 470 N CB 0.449 39.017 38.487 0.134 0.000 1.201 470 N HN 0.559 nan 8.380 nan 0.000 0.511 471 N N 1.732 120.485 118.700 0.089 0.000 2.351 471 N HA 0.133 4.720 4.740 -0.256 0.000 0.254 471 N C -0.576 174.963 175.510 0.049 0.000 1.241 471 N CA -0.425 52.669 53.050 0.072 0.000 0.883 471 N CB 0.175 38.713 38.487 0.085 0.000 1.202 471 N HN 0.275 nan 8.380 nan 0.000 0.512 472 D N -0.960 119.465 120.400 0.042 0.000 2.835 472 D HA -0.062 4.425 4.640 -0.256 0.000 0.230 472 D C 0.487 176.759 176.300 -0.046 0.000 1.130 472 D CA 1.824 55.825 54.000 0.002 0.000 0.738 472 D CB -1.233 39.566 40.800 -0.001 0.000 1.090 472 D HN 0.897 nan 8.370 nan 0.000 0.433 473 G N -0.921 107.847 108.800 -0.053 0.000 2.306 473 G HA2 -0.023 3.783 3.960 -0.256 0.000 0.262 473 G HA3 -0.023 3.783 3.960 -0.256 0.000 0.262 473 G C -1.153 173.764 174.900 0.029 0.000 1.263 473 G CA -0.414 44.593 45.100 -0.156 0.000 1.088 473 G HN 0.172 nan 8.290 nan 0.000 0.489 474 Y N 2.246 122.569 120.300 0.038 0.000 2.724 474 Y HA 0.457 4.853 4.550 -0.257 0.000 0.332 474 Y C 2.187 178.125 175.900 0.064 0.000 1.276 474 Y CA -0.008 58.127 58.100 0.058 0.000 1.597 474 Y CB -0.108 38.399 38.460 0.079 0.000 1.584 474 Y HN 0.494 nan 8.280 nan 0.000 0.478 475 T N 1.492 116.168 114.554 0.204 0.000 2.708 475 T HA -0.216 3.981 4.350 -0.256 0.000 0.266 475 T C 2.183 176.964 174.700 0.134 0.000 1.037 475 T CA 1.454 63.637 62.100 0.138 0.000 1.146 475 T CB -0.169 68.769 68.868 0.116 0.000 0.865 475 T HN 0.645 nan 8.240 nan 0.000 0.435 476 I N 0.727 121.385 120.570 0.147 0.000 2.194 476 I HA -0.241 3.775 4.170 -0.256 0.000 0.246 476 I C 2.483 178.676 176.117 0.128 0.000 1.093 476 I CA 1.691 63.069 61.300 0.129 0.000 1.355 476 I CB -0.034 38.061 38.000 0.159 0.000 1.046 476 I HN 0.197 nan 8.210 nan 0.000 0.413 477 E N 0.387 120.682 120.200 0.158 0.000 2.106 477 E HA -0.200 3.996 4.350 -0.256 0.000 0.192 477 E C 2.278 178.991 176.600 0.189 0.000 0.984 477 E CA 1.014 57.524 56.400 0.183 0.000 0.806 477 E CB -0.028 29.814 29.700 0.236 0.000 0.750 477 E HN 0.348 nan 8.360 nan 0.000 0.458 478 R N -0.330 120.267 120.500 0.161 0.000 2.103 478 R HA -0.176 4.010 4.340 -0.256 0.000 0.242 478 R C 1.868 178.211 176.300 0.072 0.000 1.142 478 R CA 1.092 57.251 56.100 0.099 0.000 0.960 478 R CB -0.282 30.057 30.300 0.064 0.000 0.858 478 R HN 0.165 nan 8.270 nan 0.000 0.439 479 L N 0.344 121.608 121.223 0.068 0.000 2.156 479 L HA -0.087 4.099 4.340 -0.256 0.000 0.208 479 L C 2.169 179.070 176.870 0.052 0.000 1.095 479 L CA 1.312 56.175 54.840 0.038 0.000 0.770 479 L CB -0.610 41.457 42.059 0.013 0.000 0.914 479 L HN 0.259 nan 8.230 nan 0.000 0.439 480 I N -2.573 118.052 120.570 0.092 0.000 2.339 480 I HA -0.025 3.991 4.170 -0.256 0.000 0.245 480 I C 0.552 176.786 176.117 0.194 0.000 1.096 480 I CA 0.579 61.950 61.300 0.119 0.000 1.408 480 I CB 0.349 38.418 38.000 0.116 0.000 1.092 480 I HN 0.269 nan 8.210 nan 0.000 0.423 481 H N -0.715 118.411 119.070 0.093 0.000 3.112 481 H HA 0.444 4.846 4.556 -0.256 0.000 0.347 481 H C -0.102 175.319 175.328 0.155 0.000 1.188 481 H CA -0.274 55.842 56.048 0.113 0.000 1.240 481 H CB 1.529 31.366 29.762 0.124 0.000 1.920 481 H HN 0.357 nan 8.280 nan 0.000 0.535 482 G N 3.381 112.086 108.800 -0.158 0.000 2.353 482 G HA2 -0.289 3.517 3.960 -0.256 0.000 0.294 482 G HA3 -0.289 3.517 3.960 -0.256 0.000 0.294 482 G C 0.836 175.678 174.900 -0.098 0.000 1.077 482 G CA 0.692 45.736 45.100 -0.093 0.000 1.098 482 G HN 0.822 nan 8.290 nan 0.000 0.511 483 E N -0.467 119.680 120.200 -0.089 0.000 2.130 483 E HA -0.188 4.008 4.350 -0.256 0.000 0.196 483 E C 2.061 178.612 176.600 -0.082 0.000 0.998 483 E CA 1.849 58.214 56.400 -0.058 0.000 0.806 483 E CB 0.002 29.672 29.700 -0.051 0.000 0.738 483 E HN 0.777 nan 8.360 nan 0.000 0.459 484 T N -2.249 112.235 114.554 -0.116 0.000 3.252 484 T HA 0.586 4.783 4.350 -0.256 0.000 0.286 484 T C -0.029 174.561 174.700 -0.183 0.000 1.013 484 T CA -0.079 61.949 62.100 -0.121 0.000 0.914 484 T CB 0.945 69.761 68.868 -0.086 0.000 1.131 484 T HN 0.239 nan 8.240 nan 0.000 0.529 485 A N 1.679 124.318 122.820 -0.302 0.000 2.388 485 A HA 0.404 4.570 4.320 -0.256 0.000 0.257 485 A C 1.638 178.944 177.584 -0.465 0.000 1.095 485 A CA -0.532 51.207 52.037 -0.497 0.000 0.791 485 A CB 0.538 18.926 19.000 -1.019 0.000 1.029 485 A HN 0.314 nan 8.150 nan 0.000 0.489 486 Q N 1.576 121.194 119.800 -0.304 0.000 2.234 486 Q HA -0.232 3.954 4.340 -0.256 0.000 0.206 486 Q C 1.341 177.273 176.000 -0.114 0.000 0.980 486 Q CA 2.592 58.301 55.803 -0.157 0.000 0.869 486 Q CB -0.317 28.388 28.738 -0.056 0.000 0.912 486 Q HN 1.016 nan 8.270 nan 0.000 0.436 487 Y N -0.837 119.483 120.300 0.033 0.000 2.439 487 Y HA 0.103 4.499 4.550 -0.257 0.000 0.292 487 Y C 1.262 177.206 175.900 0.074 0.000 1.130 487 Y CA 0.829 58.968 58.100 0.064 0.000 1.254 487 Y CB -0.694 37.827 38.460 0.101 0.000 1.000 487 Y HN 0.043 nan 8.280 nan 0.000 0.554 488 N N -0.227 118.447 118.700 -0.044 0.000 2.398 488 N HA 0.059 4.645 4.740 -0.256 0.000 0.188 488 N C -0.255 175.101 175.510 -0.256 0.000 1.122 488 N CA 0.268 53.331 53.050 0.021 0.000 0.866 488 N CB -0.161 38.359 38.487 0.054 0.000 0.970 488 N HN 0.277 nan 8.380 nan 0.000 0.462 489 C N 0.892 120.043 119.300 -0.249 0.000 2.325 489 C HA 0.685 4.991 4.460 -0.256 0.000 0.370 489 C C 0.735 175.522 174.990 -0.339 0.000 1.217 489 C CA -0.959 57.902 59.018 -0.262 0.000 2.254 489 C CB 0.503 28.151 27.740 -0.155 0.000 2.282 489 C HN 0.314 nan 8.230 nan 0.000 0.564 490 I N -0.715 119.684 120.570 -0.285 0.000 2.994 490 I HA 0.524 4.540 4.170 -0.256 0.000 0.306 490 I C -0.898 175.128 176.117 -0.152 0.000 1.195 490 I CA -0.677 60.466 61.300 -0.262 0.000 1.001 490 I CB 1.531 39.317 38.000 -0.358 0.000 1.244 490 I HN 0.471 nan 8.210 nan 0.000 0.437 491 Q N 3.192 122.930 119.800 -0.104 0.000 2.274 491 Q HA 0.172 4.358 4.340 -0.256 0.000 0.280 491 Q C -0.904 175.058 176.000 -0.063 0.000 1.047 491 Q CA 0.550 56.349 55.803 -0.006 0.000 0.907 491 Q CB 0.327 29.154 28.738 0.150 0.000 1.171 491 Q HN 0.596 nan 8.270 nan 0.000 0.381 492 N N 4.633 123.348 118.700 0.025 0.000 2.431 492 N HA 0.107 4.693 4.740 -0.256 0.000 0.265 492 N C -1.301 174.319 175.510 0.184 0.000 1.184 492 N CA 0.053 53.122 53.050 0.032 0.000 0.943 492 N CB 0.242 38.748 38.487 0.031 0.000 1.080 492 N HN 0.443 nan 8.380 nan 0.000 0.477 493 W N 0.600 121.763 121.300 -0.227 0.000 2.516 493 W HA 0.343 4.848 4.660 -0.258 0.000 0.343 493 W C 0.476 176.724 176.519 -0.453 0.000 1.094 493 W CA -0.681 56.471 57.345 -0.322 0.000 1.250 493 W CB 0.485 29.725 29.460 -0.367 0.000 1.308 493 W HN 0.217 nan 8.180 nan 0.000 0.588 494 Q N 2.291 122.041 119.800 -0.082 0.000 2.664 494 Q HA 0.034 4.220 4.340 -0.256 0.000 0.223 494 Q C 0.882 176.838 176.000 -0.073 0.000 1.298 494 Q CA 0.139 55.888 55.803 -0.091 0.000 0.965 494 Q CB -0.252 28.439 28.738 -0.077 0.000 1.510 494 Q HN 0.632 nan 8.270 nan 0.000 0.567 495 H N 0.726 119.868 119.070 0.120 0.000 2.387 495 H HA -0.124 4.278 4.556 -0.257 0.000 0.299 495 H C 1.656 177.002 175.328 0.031 0.000 1.099 495 H CA 1.116 57.230 56.048 0.108 0.000 1.315 495 H CB 0.367 30.206 29.762 0.129 0.000 1.380 495 H HN 0.376 nan 8.280 nan 0.000 0.513 496 L N 0.521 121.822 121.223 0.130 0.000 2.265 496 L HA -0.153 4.033 4.340 -0.256 0.000 0.215 496 L C 1.648 178.516 176.870 -0.003 0.000 1.117 496 L CA 0.904 55.786 54.840 0.069 0.000 0.782 496 L CB -0.151 41.949 42.059 0.070 0.000 0.914 496 L HN 0.365 nan 8.230 nan 0.000 0.441 497 E N -0.373 119.794 120.200 -0.055 0.000 2.442 497 E HA -0.019 4.177 4.350 -0.256 0.000 0.195 497 E C 2.083 178.527 176.600 -0.260 0.000 1.030 497 E CA 0.208 56.526 56.400 -0.137 0.000 0.869 497 E CB 0.130 29.749 29.700 -0.136 0.000 0.857 497 E HN 0.265 nan 8.360 nan 0.000 0.505 498 L N 0.550 121.623 121.223 -0.250 0.000 1.989 498 L HA -0.182 4.004 4.340 -0.256 0.000 0.211 498 L C 2.340 178.925 176.870 -0.476 0.000 1.071 498 L CA 1.482 56.068 54.840 -0.423 0.000 0.749 498 L CB -1.321 40.640 42.059 -0.165 0.000 0.890 498 L HN 0.137 nan 8.230 nan 0.000 0.431 499 L N -0.116 120.908 121.223 -0.332 0.000 1.971 499 L HA -0.206 3.980 4.340 -0.256 0.000 0.215 499 L C -0.183 176.392 176.870 -0.492 0.000 1.072 499 L CA 1.805 56.401 54.840 -0.407 0.000 0.758 499 L CB -2.047 39.647 42.059 -0.610 0.000 0.889 499 L HN 0.284 nan 8.230 nan 0.000 0.433 500 P HA -0.098 nan 4.420 nan 0.000 0.221 500 P C 1.413 178.580 177.300 -0.221 0.000 1.150 500 P CA 1.334 64.225 63.100 -0.348 0.000 0.800 500 P CB -0.124 31.458 31.700 -0.198 0.000 0.787 501 T N -0.383 113.982 114.554 -0.315 0.000 2.881 501 T HA -0.062 4.134 4.350 -0.256 0.000 0.270 501 T C 0.933 175.524 174.700 -0.181 0.000 1.068 501 T CA 1.073 62.982 62.100 -0.317 0.000 1.131 501 T CB -0.600 67.975 68.868 -0.488 0.000 0.871 501 T HN 0.010 nan 8.240 nan 0.000 0.479 502 F N 0.710 120.595 119.950 -0.109 0.000 2.692 502 F HA 0.433 4.810 4.527 -0.250 0.000 0.303 502 F C 1.858 177.613 175.800 -0.074 0.000 1.114 502 F CA -0.882 57.070 58.000 -0.080 0.000 1.361 502 F CB -0.696 38.263 39.000 -0.069 0.000 1.063 502 F HN 0.272 nan 8.300 nan 0.000 0.550 503 G N 0.012 108.851 108.800 0.065 0.000 2.141 503 G HA2 -0.075 3.731 3.960 -0.256 0.000 0.231 503 G HA3 -0.075 3.731 3.960 -0.256 0.000 0.231 503 G C 0.419 175.328 174.900 0.014 0.000 0.984 503 G CA -0.166 44.952 45.100 0.030 0.000 0.660 503 G HN 0.630 nan 8.290 nan 0.000 0.525 504 A N -0.279 122.521 122.820 -0.035 0.000 2.462 504 A HA 0.673 4.839 4.320 -0.256 0.000 0.243 504 A C 1.293 178.962 177.584 0.142 0.000 1.076 504 A CA 0.846 52.881 52.037 -0.005 0.000 0.773 504 A CB 0.484 19.396 19.000 -0.146 0.000 1.010 504 A HN 0.191 nan 8.150 nan 0.000 0.493 505 K N 0.493 121.013 120.400 0.199 0.000 2.387 505 K HA 0.098 4.264 4.320 -0.256 0.000 0.197 505 K C -0.528 176.166 176.600 0.158 0.000 1.127 505 K CA 0.449 56.844 56.287 0.179 0.000 0.950 505 K CB 0.454 32.997 32.500 0.072 0.000 1.017 505 K HN 0.746 nan 8.250 nan 0.000 0.519 506 D N 0.817 121.314 120.400 0.161 0.000 2.446 506 D HA 0.217 4.703 4.640 -0.256 0.000 0.251 506 D C -1.188 175.172 176.300 0.099 0.000 1.137 506 D CA -0.582 53.441 54.000 0.039 0.000 0.890 506 D CB 0.073 40.879 40.800 0.010 0.000 1.071 506 D HN 0.031 nan 8.370 nan 0.000 0.528 507 Y N -0.542 119.729 120.300 -0.047 0.000 2.689 507 Y HA 0.669 5.065 4.550 -0.256 0.000 0.333 507 Y C -1.409 174.458 175.900 -0.055 0.000 1.208 507 Y CA -1.175 56.887 58.100 -0.062 0.000 1.055 507 Y CB 0.966 39.396 38.460 -0.050 0.000 1.304 507 Y HN 0.004 nan 8.280 nan 0.000 0.455 508 E N 0.923 121.157 120.200 0.056 0.000 2.248 508 E HA 0.777 4.973 4.350 -0.256 0.000 0.267 508 E C -1.542 175.164 176.600 0.176 0.000 0.877 508 E CA -1.348 55.062 56.400 0.017 0.000 0.759 508 E CB 2.318 32.013 29.700 -0.008 0.000 1.182 508 E HN 0.855 nan 8.360 nan 0.000 0.418 509 A N 2.380 125.307 122.820 0.179 0.000 2.340 509 A HA 0.594 4.760 4.320 -0.256 0.000 0.297 509 A C -0.752 176.874 177.584 0.070 0.000 1.195 509 A CA -0.652 51.470 52.037 0.141 0.000 0.769 509 A CB 0.570 19.688 19.000 0.196 0.000 1.163 509 A HN 0.392 nan 8.150 nan 0.000 0.472 510 V N 0.347 120.277 119.914 0.028 0.000 2.876 510 V HA 0.827 4.793 4.120 -0.256 0.000 0.312 510 V C -0.428 175.672 176.094 0.009 0.000 1.085 510 V CA -1.054 61.249 62.300 0.005 0.000 0.945 510 V CB 1.762 33.564 31.823 -0.035 0.000 1.017 510 V HN 0.966 nan 8.190 nan 0.000 0.428 511 R N 2.754 123.268 120.500 0.023 0.000 2.393 511 R HA 0.824 5.010 4.340 -0.256 0.000 0.310 511 R C -1.087 175.239 176.300 0.044 0.000 0.968 511 R CA -0.409 55.720 56.100 0.049 0.000 0.867 511 R CB 1.942 32.278 30.300 0.060 0.000 1.124 511 R HN 1.209 nan 8.270 nan 0.000 0.450 512 V N 1.201 121.165 119.914 0.083 0.000 2.540 512 V HA 0.522 4.488 4.120 -0.256 0.000 0.302 512 V C -0.295 175.873 176.094 0.123 0.000 1.035 512 V CA -0.463 61.903 62.300 0.109 0.000 0.873 512 V CB 2.036 33.962 31.823 0.172 0.000 0.992 512 V HN 0.842 nan 8.190 nan 0.000 0.428 513 S N 2.080 117.827 115.700 0.078 0.000 2.589 513 S HA 0.236 4.552 4.470 -0.256 0.000 0.235 513 S C 0.791 175.390 174.600 -0.000 0.000 1.051 513 S CA 0.515 58.741 58.200 0.044 0.000 0.978 513 S CB 0.579 63.794 63.200 0.026 0.000 0.929 513 S HN 1.154 nan 8.310 nan 0.000 0.523 514 T N -1.491 113.062 114.554 -0.001 0.000 2.916 514 T HA 0.438 4.634 4.350 -0.256 0.000 0.292 514 T C 0.955 175.604 174.700 -0.084 0.000 1.064 514 T CA -0.320 61.732 62.100 -0.080 0.000 1.011 514 T CB 1.271 70.091 68.868 -0.080 0.000 1.152 514 T HN -0.201 nan 8.240 nan 0.000 0.510 515 T N 1.174 115.536 114.554 -0.319 0.000 2.665 515 T HA -0.030 4.166 4.350 -0.256 0.000 0.268 515 T C 2.146 176.832 174.700 -0.024 0.000 1.035 515 T CA 2.403 64.212 62.100 -0.484 0.000 1.151 515 T CB -1.091 67.269 68.868 -0.846 0.000 0.862 515 T HN 0.861 nan 8.240 nan 0.000 0.438 516 G N 0.539 109.321 108.800 -0.030 0.000 2.418 516 G HA2 -0.161 3.645 3.960 -0.256 0.000 0.217 516 G HA3 -0.161 3.645 3.960 -0.256 0.000 0.217 516 G C 1.475 176.416 174.900 0.069 0.000 1.158 516 G CA 0.771 45.894 45.100 0.038 0.000 0.771 516 G HN 0.521 nan 8.290 nan 0.000 0.545 517 E N -0.701 119.535 120.200 0.059 0.000 2.047 517 E HA -0.113 4.083 4.350 -0.256 0.000 0.191 517 E C 2.017 178.668 176.600 0.086 0.000 0.987 517 E CA 0.638 57.070 56.400 0.053 0.000 0.799 517 E CB -0.259 29.465 29.700 0.040 0.000 0.752 517 E HN 0.562 nan 8.360 nan 0.000 0.449 518 W N 2.386 123.692 121.300 0.010 0.000 2.317 518 W HA -0.239 4.267 4.660 -0.257 0.000 0.318 518 W C 1.510 178.064 176.519 0.059 0.000 1.227 518 W CA 1.598 58.984 57.345 0.069 0.000 1.269 518 W CB -0.430 29.169 29.460 0.232 0.000 1.155 518 W HN 0.080 nan 8.180 nan 0.000 0.484 519 N N 0.740 119.685 118.700 0.410 0.000 2.120 519 N HA -0.206 4.380 4.740 -0.256 0.000 0.188 519 N C 1.793 177.341 175.510 0.063 0.000 1.024 519 N CA 1.810 55.023 53.050 0.270 0.000 0.852 519 N CB -0.955 37.720 38.487 0.312 0.000 1.003 519 N HN 0.276 nan 8.380 nan 0.000 0.424 520 K N 0.521 120.936 120.400 0.025 0.000 2.103 520 K HA -0.138 4.028 4.320 -0.256 0.000 0.207 520 K C 1.904 178.427 176.600 -0.129 0.000 1.048 520 K CA 0.913 57.181 56.287 -0.031 0.000 0.930 520 K CB -0.091 32.394 32.500 -0.026 0.000 0.716 520 K HN 0.047 nan 8.250 nan 0.000 0.444 521 L N 0.523 121.581 121.223 -0.275 0.000 2.127 521 L HA -0.069 4.117 4.340 -0.256 0.000 0.203 521 L C 2.267 178.684 176.870 -0.754 0.000 1.080 521 L CA 2.112 56.615 54.840 -0.562 0.000 0.768 521 L CB -0.492 41.125 42.059 -0.737 0.000 0.924 521 L HN 0.314 nan 8.230 nan 0.000 0.444 522 T N -4.956 109.240 114.554 -0.596 0.000 3.043 522 T HA -0.067 4.129 4.350 -0.256 0.000 0.263 522 T C 1.556 176.334 174.700 0.130 0.000 1.094 522 T CA 0.934 62.825 62.100 -0.349 0.000 1.127 522 T CB -0.896 67.679 68.868 -0.488 0.000 0.905 522 T HN 0.468 nan 8.240 nan 0.000 0.490 523 T N -0.776 113.820 114.554 0.070 0.000 3.107 523 T HA 0.093 4.289 4.350 -0.256 0.000 0.249 523 T C 0.497 175.274 174.700 0.128 0.000 1.096 523 T CA -0.355 61.828 62.100 0.138 0.000 1.012 523 T CB -0.376 68.560 68.868 0.114 0.000 0.977 523 T HN 0.424 nan 8.240 nan 0.000 0.527 524 D N 1.505 121.972 120.400 0.111 0.000 2.390 524 D HA 0.031 4.517 4.640 -0.256 0.000 0.249 524 D C 0.755 177.173 176.300 0.197 0.000 1.144 524 D CA 0.010 54.084 54.000 0.123 0.000 0.880 524 D CB 1.161 42.011 40.800 0.082 0.000 1.182 524 D HN 0.338 nan 8.370 nan 0.000 0.451 525 E N 2.847 123.131 120.200 0.141 0.000 2.106 525 E HA -0.150 4.046 4.350 -0.256 0.000 0.192 525 E C 1.539 178.227 176.600 0.147 0.000 0.984 525 E CA 0.817 57.296 56.400 0.132 0.000 0.806 525 E CB 0.362 30.113 29.700 0.084 0.000 0.750 525 E HN 0.468 nan 8.360 nan 0.000 0.458 526 K N -0.063 120.424 120.400 0.144 0.000 2.057 526 K HA -0.149 4.017 4.320 -0.256 0.000 0.206 526 K C 2.037 178.750 176.600 0.188 0.000 1.050 526 K CA 0.955 57.320 56.287 0.130 0.000 0.935 526 K CB -0.303 32.255 32.500 0.096 0.000 0.715 526 K HN 0.144 nan 8.250 nan 0.000 0.439 527 F N 2.793 122.806 119.950 0.106 0.000 2.171 527 F HA -0.194 4.179 4.527 -0.256 0.000 0.300 527 F C 2.115 178.120 175.800 0.343 0.000 1.090 527 F CA 1.496 59.602 58.000 0.175 0.000 1.293 527 F CB -0.033 39.045 39.000 0.130 0.000 1.013 527 F HN 0.021 nan 8.300 nan 0.000 0.486 528 Q N -0.405 119.621 119.800 0.377 0.000 2.364 528 Q HA -0.137 4.049 4.340 -0.256 0.000 0.207 528 Q C 0.082 176.153 176.000 0.118 0.000 0.970 528 Q CA 0.653 56.603 55.803 0.246 0.000 0.888 528 Q CB -0.267 28.590 28.738 0.199 0.000 0.951 528 Q HN 0.283 nan 8.270 nan 0.000 0.469 529 D N 1.316 121.785 120.400 0.115 0.000 2.210 529 D HA -0.012 4.474 4.640 -0.256 0.000 0.249 529 D C -0.410 175.935 176.300 0.076 0.000 1.078 529 D CA -0.483 53.560 54.000 0.073 0.000 0.875 529 D CB 0.625 41.453 40.800 0.047 0.000 1.175 529 D HN 0.108 nan 8.370 nan 0.000 0.440 530 N N 2.294 121.039 118.700 0.075 0.000 3.050 530 N HA -0.054 4.532 4.740 -0.256 0.000 0.289 530 N C 0.338 175.816 175.510 -0.054 0.000 1.209 530 N CA -0.161 52.905 53.050 0.026 0.000 1.154 530 N CB 0.648 39.194 38.487 0.099 0.000 1.444 530 N HN 0.262 nan 8.380 nan 0.000 0.529 531 T N -0.099 114.402 114.554 -0.089 0.000 3.014 531 T HA 0.082 4.278 4.350 -0.256 0.000 0.250 531 T C 0.405 175.055 174.700 -0.082 0.000 1.060 531 T CA 0.097 62.159 62.100 -0.063 0.000 1.040 531 T CB 0.227 69.072 68.868 -0.039 0.000 0.971 531 T HN 0.727 nan 8.240 nan 0.000 0.497 532 R N -0.303 120.114 120.500 -0.139 0.000 2.712 532 R HA 0.452 4.638 4.340 -0.256 0.000 0.272 532 R C -1.296 174.881 176.300 -0.206 0.000 1.032 532 R CA -0.976 55.051 56.100 -0.121 0.000 0.874 532 R CB 0.364 30.615 30.300 -0.082 0.000 1.256 532 R HN 0.205 nan 8.270 nan 0.000 0.468 533 I N 1.412 121.900 120.570 -0.137 0.000 2.692 533 I HA 0.177 4.193 4.170 -0.256 0.000 0.284 533 I C -0.515 175.509 176.117 -0.155 0.000 1.159 533 I CA -0.031 61.172 61.300 -0.162 0.000 1.423 533 I CB 0.358 38.318 38.000 -0.068 0.000 1.380 533 I HN 0.558 nan 8.210 nan 0.000 0.580 534 R N 7.064 127.415 120.500 -0.249 0.000 2.621 534 R HA 0.538 4.724 4.340 -0.256 0.000 0.284 534 R C -1.559 174.644 176.300 -0.163 0.000 0.998 534 R CA -0.916 55.069 56.100 -0.192 0.000 0.895 534 R CB 2.121 32.226 30.300 -0.324 0.000 1.195 534 R HN 0.562 nan 8.270 nan 0.000 0.450 535 L N 3.660 124.836 121.223 -0.078 0.000 2.305 535 L HA 0.528 4.715 4.340 -0.256 0.000 0.284 535 L C -1.325 175.483 176.870 -0.104 0.000 1.013 535 L CA -0.830 53.958 54.840 -0.086 0.000 0.819 535 L CB 1.141 43.193 42.059 -0.012 0.000 1.227 535 L HN 0.542 nan 8.230 nan 0.000 0.417 536 I N 4.657 125.092 120.570 -0.225 0.000 2.328 536 I HA 0.276 4.292 4.170 -0.256 0.000 0.287 536 I C 0.072 176.171 176.117 -0.030 0.000 1.012 536 I CA -0.064 61.116 61.300 -0.200 0.000 1.195 536 I CB 1.469 39.163 38.000 -0.509 0.000 1.350 536 I HN 0.538 nan 8.210 nan 0.000 0.464 537 E N 6.169 126.391 120.200 0.037 0.000 2.105 537 E HA 0.340 4.536 4.350 -0.256 0.000 0.285 537 E C -1.181 175.504 176.600 0.142 0.000 1.055 537 E CA -0.422 56.030 56.400 0.087 0.000 0.843 537 E CB 0.910 30.679 29.700 0.115 0.000 1.067 537 E HN 0.388 nan 8.360 nan 0.000 0.398 538 V N 6.664 126.694 119.914 0.192 0.000 2.318 538 V HA 0.179 4.145 4.120 -0.256 0.000 0.271 538 V C 0.220 176.410 176.094 0.160 0.000 1.030 538 V CA -0.600 61.846 62.300 0.243 0.000 0.844 538 V CB 0.993 33.028 31.823 0.354 0.000 1.015 538 V HN 0.752 nan 8.190 nan 0.000 0.460 539 M N 6.915 126.593 119.600 0.130 0.000 2.143 539 M HA 0.497 4.824 4.480 -0.256 0.000 0.348 539 M C -0.678 175.661 176.300 0.064 0.000 1.375 539 M CA 0.238 55.593 55.300 0.091 0.000 1.124 539 M CB 0.344 32.989 32.600 0.075 0.000 1.669 539 M HN 0.403 nan 8.290 nan 0.000 0.469 540 L N 4.778 126.037 121.223 0.060 0.000 2.371 540 L HA 0.602 4.788 4.340 -0.256 0.000 0.262 540 L C -2.195 174.697 176.870 0.037 0.000 1.006 540 L CA -2.007 52.858 54.840 0.041 0.000 0.818 540 L CB 2.427 44.517 42.059 0.052 0.000 1.354 540 L HN 0.407 nan 8.230 nan 0.000 0.415 541 P HA 0.003 nan 4.420 nan 0.000 0.269 541 P C 0.568 177.886 177.300 0.031 0.000 1.215 541 P CA -0.168 62.944 63.100 0.020 0.000 0.780 541 P CB 0.709 32.414 31.700 0.010 0.000 0.898 542 T N 0.022 114.590 114.554 0.024 0.000 2.821 542 T HA -0.088 4.108 4.350 -0.256 0.000 0.267 542 T C 1.339 176.058 174.700 0.032 0.000 1.046 542 T CA 1.249 63.366 62.100 0.027 0.000 1.139 542 T CB -0.436 68.439 68.868 0.012 0.000 0.871 542 T HN 0.105 nan 8.240 nan 0.000 0.454 543 M N 1.319 120.932 119.600 0.023 0.000 2.428 543 M HA 0.332 4.659 4.480 -0.256 0.000 0.239 543 M C 0.296 176.612 176.300 0.027 0.000 1.121 543 M CA -0.214 55.099 55.300 0.022 0.000 1.019 543 M CB -0.768 31.837 32.600 0.008 0.000 1.485 543 M HN 0.276 nan 8.290 nan 0.000 0.484 544 D N 1.975 122.395 120.400 0.034 0.000 2.443 544 D HA 0.439 4.925 4.640 -0.256 0.000 0.239 544 D C -0.632 175.709 176.300 0.067 0.000 1.136 544 D CA 0.462 54.487 54.000 0.043 0.000 0.879 544 D CB 0.857 41.682 40.800 0.041 0.000 1.195 544 D HN 0.330 nan 8.370 nan 0.000 0.443 545 A N 3.166 126.028 122.820 0.070 0.000 2.597 545 A HA 0.523 4.689 4.320 -0.256 0.000 0.292 545 A C -2.791 174.841 177.584 0.080 0.000 1.057 545 A CA -1.210 50.879 52.037 0.086 0.000 0.674 545 A CB 1.042 20.061 19.000 0.032 0.000 1.278 545 A HN 0.470 nan 8.150 nan 0.000 0.416 546 P HA 0.075 nan 4.420 nan 0.000 0.264 546 P C 0.798 178.088 177.300 -0.017 0.000 1.179 546 P CA 0.486 63.620 63.100 0.057 0.000 0.763 546 P CB 0.638 32.326 31.700 -0.020 0.000 0.806 547 S N 1.973 117.669 115.700 -0.008 0.000 2.368 547 S HA -0.129 4.187 4.470 -0.256 0.000 0.224 547 S C 1.562 176.126 174.600 -0.060 0.000 1.029 547 S CA 1.321 59.506 58.200 -0.025 0.000 0.988 547 S CB -0.561 62.635 63.200 -0.007 0.000 0.838 547 S HN 0.543 nan 8.310 nan 0.000 0.462 548 N N 1.822 120.475 118.700 -0.078 0.000 2.244 548 N HA 0.029 4.615 4.740 -0.256 0.000 0.183 548 N C 1.640 177.059 175.510 -0.152 0.000 1.016 548 N CA 0.469 53.458 53.050 -0.101 0.000 0.866 548 N CB -0.626 37.802 38.487 -0.098 0.000 0.980 548 N HN 0.268 nan 8.380 nan 0.000 0.430 549 L N 0.781 121.875 121.223 -0.216 0.000 1.989 549 L HA -0.176 4.010 4.340 -0.256 0.000 0.211 549 L C 1.840 178.593 176.870 -0.195 0.000 1.071 549 L CA 1.378 56.029 54.840 -0.315 0.000 0.749 549 L CB -0.339 41.462 42.059 -0.429 0.000 0.890 549 L HN -0.024 nan 8.230 nan 0.000 0.431 550 V N 0.006 119.845 119.914 -0.125 0.000 2.255 550 V HA -0.337 3.630 4.120 -0.256 0.000 0.247 550 V C 2.474 178.526 176.094 -0.069 0.000 1.051 550 V CA 2.081 64.334 62.300 -0.078 0.000 1.018 550 V CB -0.617 31.179 31.823 -0.045 0.000 0.641 550 V HN 0.392 nan 8.190 nan 0.000 0.445 551 K N -0.351 120.008 120.400 -0.069 0.000 2.063 551 K HA -0.245 3.921 4.320 -0.256 0.000 0.208 551 K C 2.300 178.860 176.600 -0.066 0.000 1.048 551 K CA 1.601 57.852 56.287 -0.059 0.000 0.928 551 K CB -0.321 32.145 32.500 -0.057 0.000 0.713 551 K HN 0.335 nan 8.250 nan 0.000 0.442 552 Q N -0.016 119.730 119.800 -0.090 0.000 2.079 552 Q HA 0.033 4.219 4.340 -0.256 0.000 0.200 552 Q C 1.895 177.854 176.000 -0.068 0.000 0.974 552 Q CA 1.737 57.488 55.803 -0.087 0.000 0.840 552 Q CB -0.378 28.292 28.738 -0.113 0.000 0.898 552 Q HN 0.321 nan 8.270 nan 0.000 0.430 553 A N 0.257 123.032 122.820 -0.075 0.000 1.917 553 A HA -0.297 3.870 4.320 -0.256 0.000 0.219 553 A C 1.963 179.530 177.584 -0.028 0.000 1.182 553 A CA 1.946 53.955 52.037 -0.046 0.000 0.633 553 A CB -0.612 18.359 19.000 -0.049 0.000 0.819 553 A HN 0.556 nan 8.150 nan 0.000 0.448 554 Q N -1.268 118.512 119.800 -0.033 0.000 2.230 554 Q HA -0.029 4.157 4.340 -0.256 0.000 0.202 554 Q C 1.869 177.856 176.000 -0.022 0.000 0.963 554 Q CA 0.893 56.681 55.803 -0.024 0.000 0.866 554 Q CB -0.208 28.516 28.738 -0.025 0.000 0.931 554 Q HN 0.531 nan 8.270 nan 0.000 0.452 555 L N 0.391 121.597 121.223 -0.029 0.000 1.993 555 L HA -0.168 4.018 4.340 -0.256 0.000 0.206 555 L C 2.702 179.560 176.870 -0.019 0.000 1.074 555 L CA 2.307 57.130 54.840 -0.028 0.000 0.746 555 L CB -1.174 40.860 42.059 -0.041 0.000 0.896 555 L HN 0.359 nan 8.230 nan 0.000 0.435 556 T N -2.518 112.024 114.554 -0.019 0.000 2.649 556 T HA -0.327 3.869 4.350 -0.256 0.000 0.268 556 T C 1.847 176.551 174.700 0.006 0.000 1.036 556 T CA 1.584 63.681 62.100 -0.005 0.000 1.157 556 T CB -0.958 67.911 68.868 0.002 0.000 0.861 556 T HN 0.294 nan 8.240 nan 0.000 0.445 557 A N 1.523 124.346 122.820 0.006 0.000 2.015 557 A HA 0.438 4.604 4.320 -0.256 0.000 0.219 557 A C 2.738 180.326 177.584 0.007 0.000 1.163 557 A CA 1.687 53.730 52.037 0.011 0.000 0.646 557 A CB -1.131 17.873 19.000 0.007 0.000 0.806 557 A HN 0.842 nan 8.150 nan 0.000 0.448 558 A N -1.380 121.440 122.820 0.000 0.000 1.935 558 A HA 0.177 4.343 4.320 -0.256 0.000 0.214 558 A C 1.616 179.201 177.584 0.002 0.000 1.178 558 A CA 1.418 53.455 52.037 -0.001 0.000 0.640 558 A CB -0.690 18.307 19.000 -0.006 0.000 0.825 558 A HN 0.403 nan 8.150 nan 0.000 0.447 559 T N -0.492 114.063 114.554 0.002 0.000 2.882 559 T HA 0.169 4.366 4.350 -0.256 0.000 0.287 559 T C 0.857 175.562 174.700 0.009 0.000 1.014 559 T CA -0.363 61.739 62.100 0.004 0.000 1.049 559 T CB 0.270 69.139 68.868 0.002 0.000 1.001 559 T HN 0.362 nan 8.240 nan 0.000 0.525 560 N N 1.723 120.429 118.700 0.010 0.000 2.373 560 N HA 0.113 4.700 4.740 -0.256 0.000 0.181 560 N C 0.627 176.145 175.510 0.013 0.000 1.082 560 N CA -0.026 53.031 53.050 0.012 0.000 0.885 560 N CB -0.005 38.488 38.487 0.010 0.000 0.977 560 N HN 0.717 nan 8.380 nan 0.000 0.462 561 A N 1.561 124.388 122.820 0.013 0.000 2.531 561 A HA 0.204 4.370 4.320 -0.256 0.000 0.236 561 A C 0.626 178.218 177.584 0.014 0.000 1.062 561 A CA 0.690 52.736 52.037 0.014 0.000 0.760 561 A CB 0.321 19.330 19.000 0.016 0.000 0.995 561 A HN 0.280 nan 8.150 nan 0.000 0.501 562 K N 0.504 120.913 120.400 0.015 0.000 2.491 562 K HA 0.421 4.587 4.320 -0.256 0.000 0.275 562 K C -0.843 175.765 176.600 0.013 0.000 0.982 562 K CA -0.709 55.587 56.287 0.015 0.000 0.794 562 K CB 1.017 33.526 32.500 0.015 0.000 1.488 562 K HN 0.770 nan 8.250 nan 0.000 0.360 563 N N 0.000 118.706 118.700 0.010 0.000 1.763 563 N HA 0.000 4.586 4.740 -0.256 0.000 0.220 563 N CA 0.000 53.054 53.050 0.007 0.000 0.885 563 N CB 0.000 38.489 38.487 0.003 0.000 1.341 563 N HN 0.000 nan 8.380 nan 0.000 0.667