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 1zmd_1_B DATA FIRST_RESID 4 DATA SEQUENCE PIDADVTVIG SGPGGYVAAI KAAQLGFKTV CIEKNETLGG TCLNVGCIPS DATA SEQUENCE KALLNNSHYY HMAHGTDFAS RGIEMSEVRL NLDKMMEQKS TAVKALTGGI DATA SEQUENCE AHLFKQNKVV HVNGYGKITG KNQVTATKAD GGTQVIDTKN ILIATGSEVT DATA SEQUENCE PFPGITIDED TIVSSTGALS LKKVPEKMVV IGAGVIGVEL GSVWQRLGAD DATA SEQUENCE VTAVEFLGHV GGVGIDMEIS KNFQRILQKQ GFKFKLNTKV TGATKKSDGK DATA SEQUENCE IDVSIEAASG GKAEVITCDV LLVCIGRRPF TKNLGLEELG IELDPRGRIP DATA SEQUENCE VNTRFQTKIP NIYAIGDVVA GPMLAHKAED EGIICVEGMA GGAVHIDYNC DATA SEQUENCE VPSVIYTHPE VAWVGKSEEQ LKEEGIEYKV GKFPFAANSR AKTNADTDGM DATA SEQUENCE VKILGQKSTD RVLGAHILGP GAGEMVNEAA LALEYGASCE DIARVCHAHP DATA SEQUENCE TLSEAFREAN LAASFGKSIN F 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.304 177.300 0.007 0.000 1.155 4 P CA 0.000 63.105 63.100 0.008 0.000 0.800 4 P CB 0.000 31.705 31.700 0.008 0.000 0.726 5 I N -1.116 119.458 120.570 0.007 0.000 3.102 5 I HA 0.873 5.043 4.170 -0.000 0.000 0.310 5 I C -1.135 174.985 176.117 0.006 0.000 1.246 5 I CA -0.668 60.635 61.300 0.006 0.000 0.979 5 I CB 2.207 40.210 38.000 0.004 0.000 1.267 5 I HN 0.317 nan 8.210 nan 0.000 0.451 6 D N 1.716 122.120 120.400 0.006 0.000 2.497 6 D HA 0.897 5.537 4.640 -0.000 0.000 0.243 6 D C -0.952 175.352 176.300 0.006 0.000 1.039 6 D CA -0.801 53.203 54.000 0.007 0.000 1.052 6 D CB 2.237 43.044 40.800 0.011 0.000 1.344 6 D HN 1.090 nan 8.370 nan 0.000 0.553 7 A N -0.136 122.688 122.820 0.007 0.000 2.566 7 A HA 0.400 4.720 4.320 -0.000 0.000 0.290 7 A C -0.768 176.822 177.584 0.010 0.000 1.071 7 A CA -0.540 51.501 52.037 0.007 0.000 0.658 7 A CB 1.123 20.115 19.000 -0.013 0.000 1.285 7 A HN 0.465 nan 8.150 nan 0.000 0.427 8 D N -0.881 119.534 120.400 0.025 0.000 2.149 8 D HA 0.261 4.901 4.640 -0.000 0.000 0.206 8 D C 0.209 176.431 176.300 -0.130 0.000 0.967 8 D CA 1.673 55.686 54.000 0.021 0.000 0.848 8 D CB 0.272 41.202 40.800 0.217 0.000 0.998 8 D HN 0.312 nan 8.370 nan 0.000 0.474 9 V N 0.449 120.263 119.914 -0.167 0.000 2.531 9 V HA 0.406 4.526 4.120 -0.000 0.000 0.301 9 V C -0.438 175.576 176.094 -0.132 0.000 1.034 9 V CA -0.761 61.400 62.300 -0.231 0.000 0.865 9 V CB 2.028 33.605 31.823 -0.410 0.000 0.995 9 V HN -0.105 nan 8.190 nan 0.000 0.424 10 T N 3.996 118.491 114.554 -0.097 0.000 2.809 10 T HA 0.429 4.779 4.350 -0.000 0.000 0.296 10 T C -0.564 174.103 174.700 -0.055 0.000 1.015 10 T CA -0.237 61.826 62.100 -0.062 0.000 0.954 10 T CB 1.460 70.311 68.868 -0.029 0.000 0.950 10 T HN 0.523 nan 8.240 nan 0.000 0.450 11 V N 6.404 126.281 119.914 -0.061 0.000 2.370 11 V HA 0.552 4.672 4.120 -0.000 0.000 0.279 11 V C -0.476 175.610 176.094 -0.013 0.000 1.029 11 V CA -0.903 61.370 62.300 -0.044 0.000 0.870 11 V CB 0.498 32.285 31.823 -0.059 0.000 0.984 11 V HN 0.819 nan 8.190 nan 0.000 0.451 12 I N 7.692 128.261 120.570 -0.003 0.000 2.282 12 I HA 0.733 4.903 4.170 -0.000 0.000 0.290 12 I C 0.627 176.745 176.117 0.001 0.000 1.090 12 I CA 0.192 61.491 61.300 -0.001 0.000 1.231 12 I CB 0.713 38.710 38.000 -0.005 0.000 1.434 12 I HN 0.898 nan 8.210 nan 0.000 0.487 13 G N 3.328 112.135 108.800 0.012 0.000 2.760 13 G HA2 0.007 3.967 3.960 -0.000 0.000 0.540 13 G HA3 0.007 3.967 3.960 -0.000 0.000 0.540 13 G C -0.163 174.775 174.900 0.064 0.000 1.476 13 G CA -0.336 44.774 45.100 0.016 0.000 0.949 13 G HN 0.580 nan 8.290 nan 0.000 0.633 14 S N 0.978 116.715 115.700 0.061 0.000 2.561 14 S HA 0.595 5.065 4.470 -0.000 0.000 0.245 14 S C 1.218 175.886 174.600 0.113 0.000 1.001 14 S CA 0.630 58.898 58.200 0.114 0.000 1.002 14 S CB 0.562 63.768 63.200 0.010 0.000 0.805 14 S HN 1.706 nan 8.310 nan 0.000 0.458 15 G N 2.115 110.974 108.800 0.099 0.000 2.535 15 G HA2 0.456 4.416 3.960 -0.000 0.000 0.282 15 G HA3 0.456 4.416 3.960 -0.000 0.000 0.282 15 G C -1.697 173.326 174.900 0.204 0.000 1.350 15 G CA -1.713 43.451 45.100 0.105 0.000 1.039 15 G HN 0.149 nan 8.290 nan 0.000 0.509 16 P HA -0.163 nan 4.420 nan 0.000 0.217 16 P C 2.058 179.289 177.300 -0.114 0.000 1.162 16 P CA 2.230 65.365 63.100 0.057 0.000 0.901 16 P CB -0.044 31.672 31.700 0.027 0.000 0.793 17 G N -0.905 107.849 108.800 -0.076 0.000 2.433 17 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 17 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 17 G C 1.802 176.632 174.900 -0.116 0.000 1.186 17 G CA 1.017 46.045 45.100 -0.120 0.000 0.779 17 G HN 0.376 nan 8.290 nan 0.000 0.543 18 G N 0.468 109.248 108.800 -0.033 0.000 2.453 18 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.215 18 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.215 18 G C 1.738 176.693 174.900 0.093 0.000 1.201 18 G CA 1.418 46.531 45.100 0.021 0.000 0.784 18 G HN 0.630 nan 8.290 nan 0.000 0.545 19 Y N 0.669 121.032 120.300 0.106 0.000 2.314 19 Y HA 0.113 4.663 4.550 -0.000 0.000 0.293 19 Y C 2.403 178.429 175.900 0.210 0.000 1.129 19 Y CA 1.031 59.291 58.100 0.267 0.000 1.201 19 Y CB -0.597 37.876 38.460 0.021 0.000 0.999 19 Y HN 0.014 nan 8.280 nan 0.000 0.541 20 V N 1.278 120.748 119.914 -0.739 0.000 2.427 20 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 20 V C 2.847 178.814 176.094 -0.212 0.000 1.051 20 V CA 1.711 63.661 62.300 -0.583 0.000 1.048 20 V CB -1.331 30.149 31.823 -0.573 0.000 0.666 20 V HN 0.641 nan 8.190 nan 0.000 0.456 21 A N 0.022 122.742 122.820 -0.168 0.000 1.902 21 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 21 A C 2.445 179.982 177.584 -0.078 0.000 1.181 21 A CA 2.028 53.992 52.037 -0.122 0.000 0.623 21 A CB -0.814 18.104 19.000 -0.137 0.000 0.818 21 A HN 0.550 nan 8.150 nan 0.000 0.443 22 A N 0.217 123.009 122.820 -0.047 0.000 1.873 22 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 22 A C 2.148 179.696 177.584 -0.061 0.000 1.193 22 A CA 1.712 53.688 52.037 -0.101 0.000 0.629 22 A CB -0.746 18.116 19.000 -0.231 0.000 0.826 22 A HN 0.507 nan 8.150 nan 0.000 0.447 23 I N -0.836 119.767 120.570 0.054 0.000 2.127 23 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 23 I C 2.582 178.719 176.117 0.032 0.000 1.075 23 I CA 2.054 63.405 61.300 0.086 0.000 1.334 23 I CB -0.289 37.812 38.000 0.169 0.000 1.040 23 I HN 0.279 nan 8.210 nan 0.000 0.405 24 K N 1.389 121.793 120.400 0.006 0.000 2.147 24 K HA -0.118 4.201 4.320 -0.000 0.000 0.205 24 K C 1.979 178.606 176.600 0.046 0.000 1.049 24 K CA 1.600 57.891 56.287 0.006 0.000 0.936 24 K CB -0.325 32.161 32.500 -0.023 0.000 0.722 24 K HN 0.325 nan 8.250 nan 0.000 0.446 25 A N 0.335 123.193 122.820 0.064 0.000 1.898 25 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 25 A C 2.356 180.073 177.584 0.221 0.000 1.181 25 A CA 1.782 53.950 52.037 0.218 0.000 0.620 25 A CB -0.995 18.055 19.000 0.084 0.000 0.819 25 A HN 0.387 nan 8.150 nan 0.000 0.442 26 A N -0.387 122.485 122.820 0.087 0.000 1.902 26 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 26 A C 2.072 179.665 177.584 0.015 0.000 1.181 26 A CA 1.618 53.681 52.037 0.044 0.000 0.623 26 A CB -0.637 18.361 19.000 -0.003 0.000 0.818 26 A HN 0.652 nan 8.150 nan 0.000 0.443 27 Q N -0.642 119.166 119.800 0.014 0.000 2.364 27 Q HA 0.029 4.369 4.340 -0.000 0.000 0.207 27 Q C 1.618 177.596 176.000 -0.035 0.000 0.970 27 Q CA 0.797 56.596 55.803 -0.006 0.000 0.888 27 Q CB -0.219 28.521 28.738 0.003 0.000 0.951 27 Q HN 0.657 nan 8.270 nan 0.000 0.469 28 L N -1.179 120.018 121.223 -0.043 0.000 2.509 28 L HA 0.129 4.469 4.340 -0.000 0.000 0.222 28 L C 1.064 177.759 176.870 -0.292 0.000 1.123 28 L CA 0.524 55.284 54.840 -0.134 0.000 0.856 28 L CB 0.304 42.309 42.059 -0.090 0.000 0.985 28 L HN 0.407 nan 8.230 nan 0.000 0.456 29 G N -0.840 107.821 108.800 -0.232 0.000 2.143 29 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.175 29 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.175 29 G C -0.115 174.621 174.900 -0.274 0.000 1.004 29 G CA -0.718 44.227 45.100 -0.258 0.000 0.671 29 G HN 0.050 nan 8.290 nan 0.000 0.512 30 F N 0.819 120.747 119.950 -0.037 0.000 2.397 30 F HA 0.593 5.120 4.527 -0.000 0.000 0.331 30 F C 0.851 176.624 175.800 -0.045 0.000 1.090 30 F CA -1.004 56.971 58.000 -0.040 0.000 1.065 30 F CB 1.395 40.364 39.000 -0.052 0.000 1.184 30 F HN -0.032 nan 8.300 nan 0.000 0.499 31 K N 1.905 122.417 120.400 0.186 0.000 2.310 31 K HA 0.303 4.623 4.320 -0.000 0.000 0.290 31 K C -0.997 175.630 176.600 0.046 0.000 1.077 31 K CA -0.038 56.294 56.287 0.075 0.000 0.922 31 K CB 0.147 32.680 32.500 0.055 0.000 1.057 31 K HN 0.702 nan 8.250 nan 0.000 0.479 32 T N 3.252 117.806 114.554 -0.000 0.000 2.823 32 T HA 0.352 4.702 4.350 -0.000 0.000 0.279 32 T C -0.741 173.894 174.700 -0.108 0.000 0.998 32 T CA -0.850 61.213 62.100 -0.061 0.000 0.994 32 T CB 1.422 70.238 68.868 -0.086 0.000 0.960 32 T HN 0.452 nan 8.240 nan 0.000 0.448 33 V N -0.094 119.756 119.914 -0.108 0.000 2.604 33 V HA 0.816 4.936 4.120 -0.000 0.000 0.305 33 V C -0.483 175.540 176.094 -0.118 0.000 1.043 33 V CA -0.986 61.255 62.300 -0.099 0.000 0.888 33 V CB 1.142 32.940 31.823 -0.042 0.000 0.995 33 V HN 1.071 nan 8.190 nan 0.000 0.429 34 C N 6.552 125.778 119.300 -0.123 0.000 2.340 34 C HA 0.749 5.209 4.460 -0.000 0.000 0.323 34 C C -0.266 174.772 174.990 0.080 0.000 1.260 34 C CA -0.466 58.511 59.018 -0.068 0.000 1.464 34 C CB -0.373 27.252 27.740 -0.192 0.000 2.156 34 C HN 0.933 nan 8.230 nan 0.000 0.476 35 I N 4.953 125.567 120.570 0.072 0.000 2.321 35 I HA 0.432 4.602 4.170 -0.000 0.000 0.291 35 I C -0.344 175.827 176.117 0.091 0.000 0.998 35 I CA 0.228 61.589 61.300 0.101 0.000 1.227 35 I CB 1.348 39.377 38.000 0.048 0.000 1.368 35 I HN 0.607 nan 8.210 nan 0.000 0.466 36 E N 6.209 126.499 120.200 0.150 0.000 2.244 36 E HA 0.222 4.572 4.350 -0.000 0.000 0.260 36 E C 0.326 176.980 176.600 0.091 0.000 0.884 36 E CA -0.769 55.690 56.400 0.099 0.000 0.777 36 E CB 1.276 31.038 29.700 0.104 0.000 1.197 36 E HN 0.556 nan 8.360 nan 0.000 0.416 37 K N 2.867 123.270 120.400 0.005 0.000 2.155 37 K HA 0.037 4.357 4.320 -0.000 0.000 0.203 37 K C 0.267 176.903 176.600 0.060 0.000 1.052 37 K CA 0.453 56.763 56.287 0.037 0.000 0.948 37 K CB -0.085 32.402 32.500 -0.022 0.000 0.728 37 K HN 0.225 nan 8.250 nan 0.000 0.448 38 N N 1.843 120.557 118.700 0.024 0.000 2.347 38 N HA 0.005 4.745 4.740 -0.000 0.000 0.253 38 N C 0.445 175.980 175.510 0.042 0.000 1.274 38 N CA -0.148 52.914 53.050 0.020 0.000 0.941 38 N CB 0.602 39.078 38.487 -0.019 0.000 1.200 38 N HN 0.199 nan 8.380 nan 0.000 0.514 39 E N -0.749 119.468 120.200 0.027 0.000 2.478 39 E HA -0.030 4.320 4.350 -0.000 0.000 0.198 39 E C -0.046 176.575 176.600 0.034 0.000 1.046 39 E CA 0.633 57.053 56.400 0.033 0.000 0.870 39 E CB 0.095 29.805 29.700 0.017 0.000 0.818 39 E HN 0.670 nan 8.360 nan 0.000 0.527 40 T N -2.440 112.121 114.554 0.012 0.000 2.864 40 T HA 0.540 4.890 4.350 -0.000 0.000 0.299 40 T C -0.310 174.351 174.700 -0.064 0.000 1.166 40 T CA -0.952 61.136 62.100 -0.020 0.000 1.007 40 T CB 1.410 70.248 68.868 -0.049 0.000 1.219 40 T HN -0.117 nan 8.240 nan 0.000 0.506 41 L N 0.646 121.782 121.223 -0.145 0.000 2.431 41 L HA 0.686 5.026 4.340 -0.000 0.000 0.260 41 L C 1.631 178.355 176.870 -0.244 0.000 1.098 41 L CA 0.027 54.724 54.840 -0.240 0.000 0.800 41 L CB 0.807 42.603 42.059 -0.439 0.000 1.210 41 L HN 1.215 nan 8.230 nan 0.000 0.465 42 G N -0.441 108.212 108.800 -0.245 0.000 2.284 42 G HA2 0.014 3.974 3.960 -0.000 0.000 0.201 42 G HA3 0.014 3.974 3.960 -0.000 0.000 0.201 42 G C 0.608 175.460 174.900 -0.081 0.000 0.998 42 G CA -0.107 44.867 45.100 -0.209 0.000 0.651 42 G HN 1.389 nan 8.290 nan 0.000 0.489 43 G N -0.588 108.171 108.800 -0.068 0.000 2.575 43 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.267 43 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.267 43 G C 1.064 175.934 174.900 -0.049 0.000 1.264 43 G CA 1.366 46.438 45.100 -0.048 0.000 0.935 43 G HN 1.310 nan 8.290 nan 0.000 0.568 44 T N -0.252 114.277 114.554 -0.041 0.000 2.708 44 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 44 T C 2.516 177.202 174.700 -0.023 0.000 1.037 44 T CA 2.754 64.834 62.100 -0.034 0.000 1.146 44 T CB -0.802 68.051 68.868 -0.025 0.000 0.865 44 T HN 1.178 nan 8.240 nan 0.000 0.435 45 C N 1.426 120.718 119.300 -0.014 0.000 2.388 45 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 45 C C 2.585 177.557 174.990 -0.029 0.000 1.210 45 C CA 0.709 59.720 59.018 -0.011 0.000 1.743 45 C CB -1.498 26.250 27.740 0.013 0.000 2.047 45 C HN 0.534 nan 8.230 nan 0.000 0.458 46 L N 0.897 122.094 121.223 -0.044 0.000 2.072 46 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 46 L C 2.528 179.361 176.870 -0.061 0.000 1.079 46 L CA 1.832 56.631 54.840 -0.067 0.000 0.752 46 L CB -0.884 41.109 42.059 -0.110 0.000 0.906 46 L HN 0.567 nan 8.230 nan 0.000 0.436 47 N N -0.151 118.515 118.700 -0.056 0.000 2.305 47 N HA -0.059 4.681 4.740 -0.000 0.000 0.179 47 N C 1.198 176.690 175.510 -0.030 0.000 1.019 47 N CA 1.557 54.579 53.050 -0.046 0.000 0.869 47 N CB 0.541 38.998 38.487 -0.050 0.000 1.000 47 N HN 0.316 nan 8.380 nan 0.000 0.431 48 V N -3.529 116.370 119.914 -0.025 0.000 3.111 48 V HA 0.635 4.755 4.120 -0.000 0.000 0.343 48 V C 0.593 176.686 176.094 -0.002 0.000 1.417 48 V CA -0.149 62.145 62.300 -0.009 0.000 1.142 48 V CB 0.527 32.346 31.823 -0.007 0.000 1.114 48 V HN 0.137 nan 8.190 nan 0.000 0.520 49 G N -0.245 108.548 108.800 -0.011 0.000 3.259 49 G HA2 0.122 4.082 3.960 -0.000 0.000 0.193 49 G HA3 0.122 4.082 3.960 -0.000 0.000 0.193 49 G C 1.185 176.073 174.900 -0.019 0.000 1.457 49 G CA 0.636 45.733 45.100 -0.005 0.000 0.771 49 G HN 0.370 nan 8.290 nan 0.000 0.765 50 C N 0.742 120.025 119.300 -0.029 0.000 2.393 50 C HA -0.078 4.382 4.460 -0.000 0.000 0.276 50 C C 2.730 177.658 174.990 -0.104 0.000 1.215 50 C CA 1.511 60.487 59.018 -0.069 0.000 1.743 50 C CB -1.223 26.480 27.740 -0.061 0.000 2.044 50 C HN 0.370 nan 8.230 nan 0.000 0.464 51 I N 2.908 123.430 120.570 -0.080 0.000 2.113 51 I HA -0.072 4.098 4.170 -0.000 0.000 0.238 51 I C 0.215 176.287 176.117 -0.074 0.000 1.070 51 I CA 1.937 63.187 61.300 -0.083 0.000 1.332 51 I CB -2.940 35.019 38.000 -0.068 0.000 1.044 51 I HN 0.344 nan 8.210 nan 0.000 0.402 52 P HA -0.117 nan 4.420 nan 0.000 0.217 52 P C 1.872 179.142 177.300 -0.050 0.000 1.150 52 P CA 2.125 65.199 63.100 -0.043 0.000 0.832 52 P CB -0.080 31.607 31.700 -0.022 0.000 0.787 53 S N 0.224 115.896 115.700 -0.047 0.000 2.368 53 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 53 S C 2.076 176.629 174.600 -0.079 0.000 1.029 53 S CA 1.139 59.312 58.200 -0.044 0.000 0.988 53 S CB -0.958 62.236 63.200 -0.010 0.000 0.838 53 S HN -0.009 nan 8.310 nan 0.000 0.462 54 K N 2.088 122.412 120.400 -0.127 0.000 2.097 54 K HA 0.255 4.575 4.320 -0.000 0.000 0.206 54 K C 2.359 178.890 176.600 -0.114 0.000 1.049 54 K CA 1.176 57.362 56.287 -0.168 0.000 0.933 54 K CB -0.940 31.390 32.500 -0.284 0.000 0.717 54 K HN 0.497 nan 8.250 nan 0.000 0.442 55 A N 0.607 123.371 122.820 -0.093 0.000 1.877 55 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 55 A C 2.090 179.626 177.584 -0.080 0.000 1.186 55 A CA 1.388 53.384 52.037 -0.069 0.000 0.620 55 A CB -0.683 18.285 19.000 -0.054 0.000 0.822 55 A HN 0.207 nan 8.150 nan 0.000 0.443 56 L N -0.829 120.333 121.223 -0.102 0.000 2.093 56 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 56 L C 2.568 179.347 176.870 -0.152 0.000 1.085 56 L CA 0.833 55.580 54.840 -0.156 0.000 0.755 56 L CB -0.560 41.373 42.059 -0.211 0.000 0.904 56 L HN 0.367 nan 8.230 nan 0.000 0.435 57 L N -0.262 120.897 121.223 -0.108 0.000 2.046 57 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 57 L C 2.504 179.325 176.870 -0.082 0.000 1.077 57 L CA 1.410 56.211 54.840 -0.065 0.000 0.747 57 L CB -0.597 41.457 42.059 -0.008 0.000 0.896 57 L HN 0.418 nan 8.230 nan 0.000 0.432 58 N N -0.020 118.610 118.700 -0.117 0.000 2.058 58 N HA -0.188 4.552 4.740 -0.000 0.000 0.191 58 N C 1.543 176.904 175.510 -0.248 0.000 1.037 58 N CA 1.451 54.373 53.050 -0.214 0.000 0.848 58 N CB 0.038 38.451 38.487 -0.124 0.000 1.021 58 N HN 0.347 nan 8.380 nan 0.000 0.422 59 N N 0.628 119.282 118.700 -0.077 0.000 2.188 59 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 59 N C 1.929 177.449 175.510 0.016 0.000 1.018 59 N CA 1.344 54.409 53.050 0.025 0.000 0.858 59 N CB -0.544 37.945 38.487 0.003 0.000 0.989 59 N HN 0.360 nan 8.380 nan 0.000 0.426 60 S N -0.026 115.641 115.700 -0.055 0.000 2.383 60 S HA -0.153 4.317 4.470 -0.000 0.000 0.227 60 S C 1.922 176.561 174.600 0.066 0.000 1.026 60 S CA 1.075 59.261 58.200 -0.023 0.000 0.981 60 S CB -0.565 62.553 63.200 -0.136 0.000 0.818 60 S HN 0.476 nan 8.310 nan 0.000 0.472 61 H N 0.610 119.623 119.070 -0.095 0.000 2.357 61 H HA -0.030 4.526 4.556 -0.000 0.000 0.301 61 H C 1.669 176.949 175.328 -0.082 0.000 1.082 61 H CA 1.867 57.847 56.048 -0.113 0.000 1.342 61 H CB -0.596 28.996 29.762 -0.284 0.000 1.389 61 H HN 0.414 nan 8.280 nan 0.000 0.511 62 Y N -0.780 119.419 120.300 -0.169 0.000 2.224 62 Y HA -0.188 4.362 4.550 -0.000 0.000 0.289 62 Y C 2.425 178.155 175.900 -0.282 0.000 1.146 62 Y CA 1.206 59.144 58.100 -0.271 0.000 1.182 62 Y CB -1.276 37.131 38.460 -0.088 0.000 0.983 62 Y HN 0.365 nan 8.280 nan 0.000 0.524 63 Y N -0.037 120.227 120.300 -0.060 0.000 2.145 63 Y HA -0.291 4.259 4.550 -0.000 0.000 0.286 63 Y C 2.850 178.710 175.900 -0.068 0.000 1.145 63 Y CA 2.180 60.233 58.100 -0.078 0.000 1.148 63 Y CB -0.982 37.432 38.460 -0.076 0.000 0.981 63 Y HN 0.335 nan 8.280 nan 0.000 0.507 64 H N -0.771 118.141 119.070 -0.264 0.000 2.352 64 H HA -0.180 4.376 4.556 -0.000 0.000 0.299 64 H C 1.896 177.010 175.328 -0.356 0.000 1.097 64 H CA 1.558 57.434 56.048 -0.288 0.000 1.311 64 H CB 0.107 29.775 29.762 -0.158 0.000 1.377 64 H HN 0.291 nan 8.280 nan 0.000 0.504 65 M N 0.330 119.589 119.600 -0.567 0.000 2.175 65 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 65 M C 2.667 178.489 176.300 -0.796 0.000 1.063 65 M CA 1.173 56.058 55.300 -0.693 0.000 1.119 65 M CB -0.993 31.171 32.600 -0.726 0.000 1.377 65 M HN 0.424 nan 8.290 nan 0.000 0.415 66 A N -0.878 121.425 122.820 -0.862 0.000 1.855 66 A HA -0.155 4.165 4.320 -0.000 0.000 0.213 66 A C 2.181 179.559 177.584 -0.343 0.000 1.195 66 A CA 1.287 52.912 52.037 -0.688 0.000 0.610 66 A CB -1.036 17.655 19.000 -0.515 0.000 0.837 66 A HN 0.526 nan 8.150 nan 0.000 0.444 67 H N 0.220 118.984 119.070 -0.511 0.000 2.423 67 H HA -0.008 4.548 4.556 -0.000 0.000 0.297 67 H C 1.435 176.616 175.328 -0.244 0.000 1.075 67 H CA 1.358 57.139 56.048 -0.444 0.000 1.342 67 H CB -0.263 28.974 29.762 -0.875 0.000 1.395 67 H HN 0.429 nan 8.280 nan 0.000 0.530 68 G N -0.779 107.963 108.800 -0.097 0.000 2.624 68 G HA2 0.021 3.981 3.960 -0.000 0.000 0.217 68 G HA3 0.021 3.981 3.960 -0.000 0.000 0.217 68 G C 0.918 175.771 174.900 -0.077 0.000 1.506 68 G CA 0.380 45.463 45.100 -0.027 0.000 1.072 68 G HN 0.317 nan 8.290 nan 0.000 0.568 69 T N -0.724 113.807 114.554 -0.038 0.000 3.067 69 T HA 0.028 4.378 4.350 -0.000 0.000 0.257 69 T C 1.741 176.443 174.700 0.002 0.000 1.105 69 T CA 1.078 63.168 62.100 -0.017 0.000 1.104 69 T CB -0.064 68.808 68.868 0.007 0.000 0.925 69 T HN 0.527 nan 8.240 nan 0.000 0.498 70 D N 0.847 121.233 120.400 -0.022 0.000 2.087 70 D HA -0.130 4.510 4.640 -0.000 0.000 0.192 70 D C 1.570 177.987 176.300 0.195 0.000 0.993 70 D CA 1.220 55.253 54.000 0.056 0.000 0.828 70 D CB -0.135 40.676 40.800 0.019 0.000 0.968 70 D HN 0.172 nan 8.370 nan 0.000 0.448 71 F N 0.813 120.707 119.950 -0.093 0.000 2.161 71 F HA -0.023 4.504 4.527 -0.000 0.000 0.300 71 F C 2.450 178.216 175.800 -0.058 0.000 1.089 71 F CA 0.959 58.915 58.000 -0.074 0.000 1.282 71 F CB -1.166 37.784 39.000 -0.083 0.000 1.010 71 F HN 0.043 nan 8.300 nan 0.000 0.485 72 A N -0.191 122.704 122.820 0.125 0.000 1.902 72 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 72 A C 2.369 179.963 177.584 0.018 0.000 1.181 72 A CA 2.081 54.144 52.037 0.044 0.000 0.623 72 A CB -1.240 17.772 19.000 0.020 0.000 0.818 72 A HN 0.403 nan 8.150 nan 0.000 0.443 73 S N -0.350 115.365 115.700 0.025 0.000 2.469 73 S HA -0.125 4.345 4.470 -0.000 0.000 0.238 73 S C 1.574 176.171 174.600 -0.005 0.000 0.998 73 S CA 1.205 59.412 58.200 0.012 0.000 0.957 73 S CB -0.365 62.848 63.200 0.022 0.000 0.764 73 S HN 0.625 nan 8.310 nan 0.000 0.514 74 R N 0.282 120.767 120.500 -0.025 0.000 2.393 74 R HA 0.330 4.670 4.340 -0.000 0.000 0.244 74 R C 1.364 177.613 176.300 -0.086 0.000 0.920 74 R CA 0.356 56.414 56.100 -0.070 0.000 1.076 74 R CB 0.157 30.373 30.300 -0.140 0.000 1.119 74 R HN 0.536 nan 8.270 nan 0.000 0.524 75 G N 1.580 110.346 108.800 -0.058 0.000 2.141 75 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.242 75 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.242 75 G C 0.101 174.960 174.900 -0.069 0.000 0.982 75 G CA -0.324 44.743 45.100 -0.055 0.000 0.662 75 G HN 0.258 nan 8.290 nan 0.000 0.527 76 I N 1.876 122.395 120.570 -0.085 0.000 2.310 76 I HA 0.305 4.475 4.170 -0.000 0.000 0.287 76 I C 0.155 176.275 176.117 0.006 0.000 1.073 76 I CA -0.433 60.820 61.300 -0.079 0.000 1.216 76 I CB 0.710 38.584 38.000 -0.210 0.000 1.415 76 I HN 0.125 nan 8.210 nan 0.000 0.480 77 E N 7.856 128.056 120.200 0.001 0.000 2.197 77 E HA 0.629 4.979 4.350 -0.000 0.000 0.281 77 E C -0.814 175.796 176.600 0.017 0.000 0.995 77 E CA -0.589 55.817 56.400 0.010 0.000 0.808 77 E CB 1.827 31.526 29.700 -0.003 0.000 1.093 77 E HN 0.481 nan 8.360 nan 0.000 0.394 78 M N 1.541 121.151 119.600 0.016 0.000 2.271 78 M HA 0.222 4.702 4.480 -0.000 0.000 0.285 78 M C 0.501 176.799 176.300 -0.003 0.000 1.059 78 M CA -0.596 54.713 55.300 0.014 0.000 0.940 78 M CB 2.109 34.727 32.600 0.031 0.000 1.636 78 M HN 0.333 nan 8.290 nan 0.000 0.460 79 S N 1.020 116.720 115.700 -0.001 0.000 2.359 79 S HA -0.128 4.342 4.470 -0.000 0.000 0.222 79 S C 0.467 175.060 174.600 -0.012 0.000 1.038 79 S CA 1.570 59.766 58.200 -0.006 0.000 1.051 79 S CB -0.014 63.186 63.200 0.000 0.000 0.944 79 S HN 0.746 nan 8.310 nan 0.000 0.433 80 E N -0.752 119.447 120.200 -0.001 0.000 2.340 80 E HA 0.569 4.919 4.350 -0.000 0.000 0.273 80 E C -1.925 174.688 176.600 0.022 0.000 0.891 80 E CA -0.483 55.919 56.400 0.004 0.000 0.757 80 E CB 2.012 31.723 29.700 0.019 0.000 1.231 80 E HN -0.081 nan 8.360 nan 0.000 0.439 81 V N 4.143 124.081 119.914 0.039 0.000 2.409 81 V HA 0.557 4.677 4.120 -0.000 0.000 0.290 81 V C -0.615 175.623 176.094 0.240 0.000 1.017 81 V CA -0.649 61.711 62.300 0.100 0.000 0.841 81 V CB 1.438 33.276 31.823 0.026 0.000 1.003 81 V HN 0.606 nan 8.190 nan 0.000 0.426 82 R N 3.478 124.112 120.500 0.223 0.000 2.740 82 R HA 0.674 5.014 4.340 -0.000 0.000 0.282 82 R C -1.160 175.271 176.300 0.218 0.000 0.969 82 R CA -1.009 55.230 56.100 0.230 0.000 0.918 82 R CB 2.459 32.832 30.300 0.121 0.000 1.175 82 R HN 0.532 nan 8.270 nan 0.000 0.464 83 L N 2.246 123.529 121.223 0.099 0.000 2.290 83 L HA 0.281 4.621 4.340 -0.000 0.000 0.284 83 L C -0.489 176.330 176.870 -0.086 0.000 1.078 83 L CA 0.043 54.787 54.840 -0.160 0.000 0.815 83 L CB 0.730 42.477 42.059 -0.520 0.000 1.162 83 L HN 0.525 nan 8.230 nan 0.000 0.435 84 N N 4.644 123.302 118.700 -0.070 0.000 2.936 84 N HA 0.051 4.791 4.740 -0.000 0.000 0.243 84 N C 0.709 176.185 175.510 -0.056 0.000 1.149 84 N CA -0.360 52.667 53.050 -0.038 0.000 0.914 84 N CB 0.444 38.925 38.487 -0.010 0.000 1.179 84 N HN 0.750 nan 8.380 nan 0.000 0.502 85 L N 2.237 123.423 121.223 -0.062 0.000 2.129 85 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 85 L C 1.408 178.270 176.870 -0.013 0.000 1.087 85 L CA 1.821 56.636 54.840 -0.042 0.000 0.757 85 L CB -0.179 41.886 42.059 0.010 0.000 0.896 85 L HN 0.424 nan 8.230 nan 0.000 0.434 86 D N -0.542 119.853 120.400 -0.008 0.000 2.117 86 D HA -0.234 4.406 4.640 -0.000 0.000 0.197 86 D C 2.098 178.395 176.300 -0.006 0.000 0.987 86 D CA 1.329 55.328 54.000 -0.001 0.000 0.829 86 D CB 0.030 40.829 40.800 -0.002 0.000 0.961 86 D HN 0.392 nan 8.370 nan 0.000 0.460 87 K N 0.149 120.543 120.400 -0.010 0.000 2.155 87 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 87 K C 2.147 178.739 176.600 -0.013 0.000 1.052 87 K CA 0.313 56.595 56.287 -0.008 0.000 0.948 87 K CB -0.003 32.495 32.500 -0.004 0.000 0.728 87 K HN 0.053 nan 8.250 nan 0.000 0.448 88 M N 0.147 119.731 119.600 -0.027 0.000 2.132 88 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 88 M C 1.830 178.109 176.300 -0.035 0.000 1.065 88 M CA 1.305 56.581 55.300 -0.039 0.000 1.122 88 M CB 0.104 32.655 32.600 -0.083 0.000 1.365 88 M HN 0.125 nan 8.290 nan 0.000 0.411 89 M N -0.270 119.316 119.600 -0.023 0.000 2.229 89 M HA -0.178 4.302 4.480 -0.000 0.000 0.264 89 M C 1.912 178.208 176.300 -0.008 0.000 1.063 89 M CA 1.479 56.774 55.300 -0.009 0.000 1.114 89 M CB -1.226 31.384 32.600 0.018 0.000 1.387 89 M HN 0.447 nan 8.290 nan 0.000 0.420 90 E N 0.118 120.314 120.200 -0.007 0.000 2.051 90 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 90 E C 2.087 178.682 176.600 -0.009 0.000 0.991 90 E CA 1.100 57.496 56.400 -0.007 0.000 0.799 90 E CB 0.027 29.724 29.700 -0.005 0.000 0.748 90 E HN 0.372 nan 8.360 nan 0.000 0.449 91 Q N 1.385 121.179 119.800 -0.009 0.000 2.061 91 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 91 Q C 2.130 178.122 176.000 -0.013 0.000 0.984 91 Q CA 1.857 57.656 55.803 -0.007 0.000 0.846 91 Q CB -0.265 28.474 28.738 0.002 0.000 0.902 91 Q HN 0.203 nan 8.270 nan 0.000 0.421 92 K N -0.218 120.170 120.400 -0.019 0.000 2.001 92 K HA -0.150 4.170 4.320 -0.000 0.000 0.214 92 K C 2.163 178.749 176.600 -0.023 0.000 1.050 92 K CA 1.958 58.230 56.287 -0.026 0.000 0.934 92 K CB -0.166 32.317 32.500 -0.028 0.000 0.718 92 K HN 0.099 nan 8.250 nan 0.000 0.443 93 S N 0.327 116.017 115.700 -0.018 0.000 2.374 93 S HA -0.142 4.328 4.470 -0.000 0.000 0.227 93 S C 1.928 176.515 174.600 -0.023 0.000 1.037 93 S CA 1.918 60.107 58.200 -0.018 0.000 1.024 93 S CB -0.533 62.660 63.200 -0.012 0.000 0.861 93 S HN 0.489 nan 8.310 nan 0.000 0.456 94 T N 2.357 116.899 114.554 -0.020 0.000 2.684 94 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 94 T C 2.151 176.834 174.700 -0.028 0.000 1.036 94 T CA 1.342 63.429 62.100 -0.022 0.000 1.148 94 T CB -0.565 68.293 68.868 -0.017 0.000 0.863 94 T HN 0.497 nan 8.240 nan 0.000 0.436 95 A N 0.878 123.681 122.820 -0.029 0.000 1.877 95 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 95 A C 2.598 180.155 177.584 -0.046 0.000 1.186 95 A CA 1.473 53.489 52.037 -0.036 0.000 0.620 95 A CB -1.029 17.950 19.000 -0.035 0.000 0.822 95 A HN 0.361 nan 8.150 nan 0.000 0.443 96 V N 0.155 120.042 119.914 -0.045 0.000 2.407 96 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 96 V C 2.539 178.598 176.094 -0.058 0.000 1.055 96 V CA 2.424 64.692 62.300 -0.053 0.000 1.049 96 V CB -0.648 31.148 31.823 -0.044 0.000 0.662 96 V HN 0.719 nan 8.190 nan 0.000 0.455 97 K N 0.431 120.803 120.400 -0.047 0.000 2.025 97 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 97 K C 2.189 178.756 176.600 -0.056 0.000 1.049 97 K CA 1.507 57.766 56.287 -0.047 0.000 0.933 97 K CB -0.384 32.095 32.500 -0.034 0.000 0.714 97 K HN 0.392 nan 8.250 nan 0.000 0.438 98 A N 1.102 123.890 122.820 -0.053 0.000 1.902 98 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 98 A C 2.107 179.646 177.584 -0.076 0.000 1.181 98 A CA 1.375 53.377 52.037 -0.058 0.000 0.623 98 A CB -0.619 18.351 19.000 -0.049 0.000 0.818 98 A HN 0.338 nan 8.150 nan 0.000 0.443 99 L N -0.131 121.042 121.223 -0.083 0.000 2.156 99 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 99 L C 2.935 179.709 176.870 -0.161 0.000 1.095 99 L CA 1.643 56.417 54.840 -0.110 0.000 0.770 99 L CB -0.732 41.267 42.059 -0.100 0.000 0.914 99 L HN 0.660 nan 8.230 nan 0.000 0.439 100 T N -3.554 110.912 114.554 -0.147 0.000 2.904 100 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 100 T C 1.933 176.528 174.700 -0.175 0.000 1.059 100 T CA 0.888 62.877 62.100 -0.185 0.000 1.137 100 T CB -0.666 68.119 68.868 -0.138 0.000 0.879 100 T HN 0.353 nan 8.240 nan 0.000 0.467 101 G N 1.314 110.044 108.800 -0.116 0.000 2.408 101 G HA2 0.100 4.060 3.960 -0.000 0.000 0.217 101 G HA3 0.100 4.060 3.960 -0.000 0.000 0.217 101 G C 1.720 176.572 174.900 -0.080 0.000 1.150 101 G CA 0.562 45.613 45.100 -0.081 0.000 0.776 101 G HN 0.635 nan 8.290 nan 0.000 0.542 102 G N 1.127 109.866 108.800 -0.101 0.000 2.469 102 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 102 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 102 G C 1.738 176.568 174.900 -0.116 0.000 1.136 102 G CA 0.858 45.914 45.100 -0.073 0.000 0.759 102 G HN 0.460 nan 8.290 nan 0.000 0.562 103 I N 1.128 121.517 120.570 -0.301 0.000 2.353 103 I HA -0.099 4.071 4.170 -0.000 0.000 0.248 103 I C 3.253 179.078 176.117 -0.485 0.000 1.119 103 I CA 0.741 61.717 61.300 -0.541 0.000 1.417 103 I CB -0.199 37.264 38.000 -0.896 0.000 1.078 103 I HN 0.246 nan 8.210 nan 0.000 0.421 104 A N 0.446 123.094 122.820 -0.285 0.000 1.902 104 A HA -0.311 4.009 4.320 -0.000 0.000 0.217 104 A C 2.204 179.788 177.584 0.001 0.000 1.181 104 A CA 2.179 54.145 52.037 -0.120 0.000 0.623 104 A CB -0.990 17.995 19.000 -0.026 0.000 0.818 104 A HN 0.527 nan 8.150 nan 0.000 0.443 105 H N -0.249 118.785 119.070 -0.059 0.000 2.389 105 H HA 0.037 4.593 4.556 -0.000 0.000 0.299 105 H C 1.701 177.047 175.328 0.029 0.000 1.081 105 H CA 1.807 57.851 56.048 -0.006 0.000 1.345 105 H CB -0.223 29.526 29.762 -0.021 0.000 1.393 105 H HN 0.364 nan 8.280 nan 0.000 0.520 106 L N -0.921 120.279 121.223 -0.039 0.000 2.093 106 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 106 L C 1.983 178.934 176.870 0.135 0.000 1.085 106 L CA 0.501 55.344 54.840 0.005 0.000 0.755 106 L CB -0.398 41.707 42.059 0.077 0.000 0.904 106 L HN 0.276 nan 8.230 nan 0.000 0.435 107 F N 0.810 120.731 119.950 -0.048 0.000 2.102 107 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 107 F C 2.603 178.373 175.800 -0.050 0.000 1.105 107 F CA 1.278 59.262 58.000 -0.027 0.000 1.239 107 F CB -0.738 38.249 39.000 -0.022 0.000 0.991 107 F HN -0.011 nan 8.300 nan 0.000 0.474 108 K N 0.318 120.788 120.400 0.117 0.000 2.032 108 K HA -0.244 4.076 4.320 -0.000 0.000 0.209 108 K C 2.188 178.754 176.600 -0.057 0.000 1.048 108 K CA 1.631 57.925 56.287 0.011 0.000 0.927 108 K CB -0.332 32.151 32.500 -0.029 0.000 0.712 108 K HN 0.255 nan 8.250 nan 0.000 0.441 109 Q N 0.084 119.788 119.800 -0.160 0.000 2.170 109 Q HA -0.146 4.194 4.340 -0.000 0.000 0.203 109 Q C 0.710 176.686 176.000 -0.041 0.000 0.976 109 Q CA 1.425 57.144 55.803 -0.140 0.000 0.858 109 Q CB 0.082 28.692 28.738 -0.214 0.000 0.907 109 Q HN 0.337 nan 8.270 nan 0.000 0.433 110 N N 0.370 119.070 118.700 0.000 0.000 2.268 110 N HA 0.049 4.789 4.740 -0.000 0.000 0.204 110 N C -0.663 174.844 175.510 -0.005 0.000 1.124 110 N CA 0.170 53.227 53.050 0.012 0.000 0.838 110 N CB 0.561 39.074 38.487 0.044 0.000 0.994 110 N HN 0.195 nan 8.380 nan 0.000 0.489 111 K N -0.066 120.330 120.400 -0.007 0.000 3.035 111 K HA -0.134 4.186 4.320 -0.000 0.000 0.262 111 K C -0.546 176.028 176.600 -0.044 0.000 1.024 111 K CA 0.192 56.470 56.287 -0.014 0.000 0.748 111 K CB -1.649 30.844 32.500 -0.012 0.000 1.247 111 K HN -0.024 nan 8.250 nan 0.000 0.482 112 V N 0.885 120.748 119.914 -0.085 0.000 2.649 112 V HA 0.197 4.317 4.120 -0.000 0.000 0.292 112 V C 0.481 176.474 176.094 -0.167 0.000 1.055 112 V CA -0.560 61.601 62.300 -0.231 0.000 1.023 112 V CB 1.681 33.143 31.823 -0.602 0.000 0.992 112 V HN 0.146 nan 8.190 nan 0.000 0.480 113 V N 5.067 124.898 119.914 -0.139 0.000 2.407 113 V HA 0.383 4.503 4.120 -0.000 0.000 0.278 113 V C -0.256 175.849 176.094 0.018 0.000 1.037 113 V CA -0.508 61.773 62.300 -0.032 0.000 0.900 113 V CB 1.192 33.005 31.823 -0.016 0.000 0.983 113 V HN 0.946 nan 8.190 nan 0.000 0.459 114 H N 6.060 125.131 119.070 0.001 0.000 2.705 114 H HA 0.452 5.008 4.556 -0.000 0.000 0.291 114 H C -0.816 174.541 175.328 0.048 0.000 1.085 114 H CA -0.449 55.641 56.048 0.071 0.000 1.357 114 H CB 1.007 30.880 29.762 0.185 0.000 1.419 114 H HN 0.435 nan 8.280 nan 0.000 0.462 115 V N 6.908 126.976 119.914 0.256 0.000 2.318 115 V HA 0.083 4.203 4.120 -0.000 0.000 0.271 115 V C 0.614 176.748 176.094 0.067 0.000 1.030 115 V CA -0.948 61.391 62.300 0.065 0.000 0.844 115 V CB 0.473 32.336 31.823 0.067 0.000 1.015 115 V HN 0.737 nan 8.190 nan 0.000 0.460 116 N N 4.274 122.891 118.700 -0.140 0.000 2.401 116 N HA 0.549 5.289 4.740 -0.000 0.000 0.255 116 N C 0.068 175.593 175.510 0.026 0.000 1.110 116 N CA 0.915 53.931 53.050 -0.056 0.000 0.949 116 N CB 1.317 39.700 38.487 -0.173 0.000 1.110 116 N HN 0.947 nan 8.380 nan 0.000 0.490 117 G N 2.188 111.036 108.800 0.080 0.000 2.321 117 G HA2 0.074 4.034 3.960 -0.000 0.000 0.298 117 G HA3 0.074 4.034 3.960 -0.000 0.000 0.298 117 G C -2.195 172.783 174.900 0.129 0.000 1.385 117 G CA -0.881 44.279 45.100 0.101 0.000 0.856 117 G HN 0.357 nan 8.290 nan 0.000 0.584 118 Y N 1.672 122.004 120.300 0.053 0.000 2.504 118 Y HA 0.514 5.064 4.550 -0.000 0.000 0.351 118 Y C 1.009 176.946 175.900 0.062 0.000 0.988 118 Y CA 0.541 58.681 58.100 0.066 0.000 1.239 118 Y CB 0.704 39.204 38.460 0.067 0.000 1.128 118 Y HN 0.742 nan 8.280 nan 0.000 0.525 119 G N 5.352 114.160 108.800 0.013 0.000 2.467 119 G HA2 0.376 4.336 3.960 -0.000 0.000 0.257 119 G HA3 0.376 4.336 3.960 -0.000 0.000 0.257 119 G C -1.312 173.659 174.900 0.118 0.000 1.227 119 G CA -0.667 44.470 45.100 0.061 0.000 0.835 119 G HN 0.622 nan 8.290 nan 0.000 0.556 120 K N 1.467 121.937 120.400 0.117 0.000 2.525 120 K HA 0.344 4.664 4.320 -0.000 0.000 0.254 120 K C -0.699 175.942 176.600 0.068 0.000 0.934 120 K CA -0.864 55.492 56.287 0.115 0.000 0.802 120 K CB 1.737 34.320 32.500 0.138 0.000 1.295 120 K HN 0.377 nan 8.250 nan 0.000 0.433 121 I N 4.404 125.006 120.570 0.053 0.000 2.389 121 I HA 0.030 4.200 4.170 -0.000 0.000 0.295 121 I C 0.358 176.494 176.117 0.032 0.000 1.117 121 I CA 0.026 61.348 61.300 0.036 0.000 1.317 121 I CB 0.535 38.552 38.000 0.028 0.000 1.431 121 I HN 0.593 nan 8.210 nan 0.000 0.521 122 T N 2.264 116.836 114.554 0.030 0.000 3.400 122 T HA 0.624 4.974 4.350 -0.000 0.000 0.362 122 T C 0.207 174.917 174.700 0.018 0.000 1.823 122 T CA -0.638 61.477 62.100 0.024 0.000 1.374 122 T CB 0.379 69.263 68.868 0.027 0.000 1.130 122 T HN 0.969 nan 8.240 nan 0.000 0.744 123 G N 1.915 110.724 108.800 0.015 0.000 3.014 123 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.683 123 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.683 123 G C 0.096 175.002 174.900 0.009 0.000 1.271 123 G CA -0.985 44.121 45.100 0.011 0.000 0.843 123 G HN 0.336 nan 8.290 nan 0.000 0.612 124 K N 0.238 120.642 120.400 0.005 0.000 2.588 124 K HA -0.102 4.218 4.320 -0.000 0.000 0.196 124 K C 1.054 177.657 176.600 0.006 0.000 1.044 124 K CA 1.207 57.495 56.287 0.003 0.000 0.934 124 K CB 0.014 32.513 32.500 -0.002 0.000 0.773 124 K HN 0.395 nan 8.250 nan 0.000 0.489 125 N N -0.056 118.649 118.700 0.009 0.000 2.286 125 N HA 0.011 4.751 4.740 -0.000 0.000 0.245 125 N C -1.174 174.343 175.510 0.011 0.000 1.363 125 N CA 0.054 53.110 53.050 0.010 0.000 0.822 125 N CB 1.155 39.648 38.487 0.010 0.000 1.345 125 N HN 0.172 nan 8.380 nan 0.000 0.494 126 Q N 0.730 120.538 119.800 0.013 0.000 2.379 126 Q HA 0.537 4.877 4.340 -0.000 0.000 0.278 126 Q C -1.870 174.141 176.000 0.018 0.000 1.068 126 Q CA -0.544 55.267 55.803 0.014 0.000 0.816 126 Q CB 2.658 31.404 28.738 0.014 0.000 1.387 126 Q HN -0.131 nan 8.270 nan 0.000 0.413 127 V N 1.999 121.925 119.914 0.020 0.000 2.623 127 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 127 V C -0.795 175.318 176.094 0.032 0.000 1.054 127 V CA -0.636 61.681 62.300 0.027 0.000 0.882 127 V CB 2.118 33.955 31.823 0.023 0.000 1.002 127 V HN 0.845 nan 8.190 nan 0.000 0.424 128 T N 4.043 118.623 114.554 0.042 0.000 2.758 128 T HA 0.636 4.986 4.350 -0.000 0.000 0.285 128 T C 0.131 174.870 174.700 0.065 0.000 0.981 128 T CA -0.209 61.919 62.100 0.046 0.000 0.965 128 T CB 1.438 70.332 68.868 0.044 0.000 0.927 128 T HN 0.913 nan 8.240 nan 0.000 0.448 129 A N 3.426 126.281 122.820 0.059 0.000 2.341 129 A HA 0.551 4.871 4.320 -0.000 0.000 0.326 129 A C 0.519 178.150 177.584 0.079 0.000 1.402 129 A CA -0.678 51.405 52.037 0.076 0.000 0.957 129 A CB -0.039 18.996 19.000 0.060 0.000 1.151 129 A HN 0.697 nan 8.150 nan 0.000 0.533 130 T N 3.802 118.420 114.554 0.108 0.000 2.747 130 T HA 0.222 4.571 4.350 -0.000 0.000 0.301 130 T C 0.532 175.288 174.700 0.093 0.000 0.952 130 T CA -0.135 62.016 62.100 0.085 0.000 0.983 130 T CB 0.286 69.197 68.868 0.072 0.000 0.930 130 T HN 0.677 nan 8.240 nan 0.000 0.494 131 K N 1.376 121.814 120.400 0.063 0.000 2.181 131 K HA 0.348 4.668 4.320 -0.000 0.000 0.239 131 K C 1.630 178.259 176.600 0.048 0.000 1.073 131 K CA -0.055 56.266 56.287 0.056 0.000 0.839 131 K CB 0.149 32.668 32.500 0.031 0.000 1.116 131 K HN 0.571 nan 8.250 nan 0.000 0.518 132 A N 1.120 123.964 122.820 0.041 0.000 1.968 132 A HA -0.117 4.202 4.320 -0.000 0.000 0.217 132 A C 1.242 178.836 177.584 0.016 0.000 1.169 132 A CA 1.736 53.790 52.037 0.029 0.000 0.638 132 A CB -0.371 18.647 19.000 0.030 0.000 0.812 132 A HN 0.858 nan 8.150 nan 0.000 0.446 133 D N -1.557 118.852 120.400 0.015 0.000 2.336 133 D HA 0.202 4.842 4.640 -0.000 0.000 0.229 133 D C 1.217 177.521 176.300 0.008 0.000 1.061 133 D CA 0.993 54.998 54.000 0.009 0.000 0.875 133 D CB -0.418 40.387 40.800 0.007 0.000 0.904 133 D HN 0.655 nan 8.370 nan 0.000 0.525 134 G N 0.136 108.943 108.800 0.011 0.000 2.304 134 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.252 134 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.252 134 G C 0.760 175.667 174.900 0.013 0.000 1.014 134 G CA 0.141 45.246 45.100 0.009 0.000 0.619 134 G HN 0.787 nan 8.290 nan 0.000 0.525 135 G N 1.337 110.144 108.800 0.012 0.000 2.299 135 G HA2 0.548 4.508 3.960 -0.000 0.000 0.256 135 G HA3 0.548 4.508 3.960 -0.000 0.000 0.256 135 G C 0.674 175.585 174.900 0.018 0.000 1.259 135 G CA 1.475 46.583 45.100 0.012 0.000 0.943 135 G HN 1.370 nan 8.290 nan 0.000 0.479 136 T N -0.283 114.282 114.554 0.018 0.000 2.902 136 T HA 0.705 5.055 4.350 -0.000 0.000 0.287 136 T C -0.206 174.506 174.700 0.020 0.000 1.048 136 T CA -0.654 61.461 62.100 0.024 0.000 0.941 136 T CB 1.846 70.729 68.868 0.025 0.000 1.432 136 T HN 0.664 nan 8.240 nan 0.000 0.586 137 Q N -0.660 119.154 119.800 0.024 0.000 2.468 137 Q HA 0.533 4.872 4.340 -0.000 0.000 0.263 137 Q C -2.302 173.711 176.000 0.022 0.000 0.979 137 Q CA -0.630 55.185 55.803 0.019 0.000 0.932 137 Q CB 1.691 30.439 28.738 0.017 0.000 1.462 137 Q HN 0.717 nan 8.270 nan 0.000 0.403 138 V N 4.848 124.772 119.914 0.018 0.000 2.581 138 V HA 0.681 4.801 4.120 -0.000 0.000 0.303 138 V C -0.308 175.795 176.094 0.015 0.000 1.041 138 V CA -0.571 61.740 62.300 0.018 0.000 0.907 138 V CB 1.820 33.653 31.823 0.016 0.000 0.994 138 V HN 0.797 nan 8.190 nan 0.000 0.442 139 I N 3.051 123.630 120.570 0.015 0.000 2.468 139 I HA 0.382 4.552 4.170 -0.000 0.000 0.285 139 I C -0.992 175.131 176.117 0.010 0.000 1.039 139 I CA -0.419 60.887 61.300 0.011 0.000 1.074 139 I CB 1.888 39.893 38.000 0.009 0.000 1.228 139 I HN 0.513 nan 8.210 nan 0.000 0.436 140 D N 4.460 124.865 120.400 0.009 0.000 2.232 140 D HA 0.385 5.025 4.640 -0.000 0.000 0.242 140 D C -0.275 176.029 176.300 0.007 0.000 1.093 140 D CA 0.248 54.254 54.000 0.009 0.000 0.845 140 D CB 2.500 43.306 40.800 0.010 0.000 1.124 140 D HN 0.410 nan 8.370 nan 0.000 0.467 141 T N 0.516 115.073 114.554 0.005 0.000 2.883 141 T HA 0.228 4.578 4.350 -0.000 0.000 0.301 141 T C 0.751 175.454 174.700 0.004 0.000 1.158 141 T CA -0.640 61.460 62.100 0.000 0.000 1.007 141 T CB 1.490 70.350 68.868 -0.012 0.000 1.186 141 T HN 0.182 nan 8.240 nan 0.000 0.499 142 K N 1.555 121.956 120.400 0.002 0.000 2.076 142 K HA 0.175 4.495 4.320 -0.000 0.000 0.204 142 K C 0.554 177.163 176.600 0.015 0.000 1.051 142 K CA 0.678 56.972 56.287 0.012 0.000 0.949 142 K CB 0.060 32.573 32.500 0.022 0.000 0.726 142 K HN 0.415 nan 8.250 nan 0.000 0.443 143 N N 0.621 119.314 118.700 -0.012 0.000 2.238 143 N HA 0.364 5.104 4.740 -0.000 0.000 0.302 143 N C -1.057 174.466 175.510 0.020 0.000 1.072 143 N CA -0.492 52.579 53.050 0.034 0.000 0.792 143 N CB 2.426 40.916 38.487 0.005 0.000 1.425 143 N HN -0.064 nan 8.380 nan 0.000 0.478 144 I N 1.622 122.245 120.570 0.089 0.000 2.433 144 I HA 0.301 4.471 4.170 -0.000 0.000 0.292 144 I C -0.760 175.430 176.117 0.122 0.000 1.001 144 I CA -0.892 60.445 61.300 0.063 0.000 1.119 144 I CB 1.888 39.918 38.000 0.050 0.000 1.289 144 I HN 0.182 nan 8.210 nan 0.000 0.438 145 L N 8.353 129.602 121.223 0.045 0.000 2.316 145 L HA 0.543 4.883 4.340 -0.000 0.000 0.280 145 L C -0.591 176.299 176.870 0.034 0.000 1.006 145 L CA -0.193 54.673 54.840 0.044 0.000 0.836 145 L CB 0.906 42.924 42.059 -0.068 0.000 1.221 145 L HN 0.386 nan 8.230 nan 0.000 0.418 146 I N 5.458 126.066 120.570 0.063 0.000 2.379 146 I HA 0.428 4.598 4.170 -0.000 0.000 0.290 146 I C 0.620 176.756 176.117 0.032 0.000 1.063 146 I CA 0.041 61.368 61.300 0.045 0.000 1.351 146 I CB 1.217 39.250 38.000 0.055 0.000 1.410 146 I HN 0.824 nan 8.210 nan 0.000 0.505 147 A N 3.759 126.590 122.820 0.018 0.000 2.992 147 A HA 0.230 4.550 4.320 -0.000 0.000 0.263 147 A C 1.044 178.640 177.584 0.020 0.000 0.928 147 A CA -0.336 51.707 52.037 0.009 0.000 1.061 147 A CB -0.372 18.623 19.000 -0.009 0.000 1.173 147 A HN 0.756 nan 8.150 nan 0.000 0.482 148 T N -3.206 111.374 114.554 0.044 0.000 3.085 148 T HA 0.385 4.735 4.350 -0.000 0.000 0.263 148 T C 1.498 176.250 174.700 0.086 0.000 1.127 148 T CA 1.217 63.361 62.100 0.073 0.000 1.103 148 T CB -0.271 68.684 68.868 0.144 0.000 0.921 148 T HN 2.008 nan 8.240 nan 0.000 0.510 149 G N 1.599 110.440 108.800 0.068 0.000 2.527 149 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.268 149 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.268 149 G C 0.011 174.975 174.900 0.106 0.000 1.175 149 G CA 0.379 45.511 45.100 0.055 0.000 0.962 149 G HN 1.601 nan 8.290 nan 0.000 0.560 150 S N -0.526 115.219 115.700 0.075 0.000 2.697 150 S HA 0.819 5.289 4.470 -0.000 0.000 0.289 150 S C -0.681 173.970 174.600 0.085 0.000 1.149 150 S CA 0.366 58.635 58.200 0.114 0.000 0.850 150 S CB 2.449 65.689 63.200 0.067 0.000 1.151 150 S HN 1.741 nan 8.310 nan 0.000 0.491 151 E N -0.362 119.919 120.200 0.135 0.000 2.416 151 E HA 0.673 5.023 4.350 -0.000 0.000 0.273 151 E C -1.288 175.369 176.600 0.094 0.000 0.935 151 E CA -1.287 55.179 56.400 0.111 0.000 0.784 151 E CB 1.461 31.310 29.700 0.248 0.000 1.301 151 E HN 0.402 nan 8.360 nan 0.000 0.454 152 V N 1.413 121.373 119.914 0.077 0.000 2.763 152 V HA 0.061 4.181 4.120 -0.000 0.000 0.306 152 V C 0.133 176.276 176.094 0.082 0.000 1.059 152 V CA 0.284 62.629 62.300 0.074 0.000 1.138 152 V CB 1.096 32.960 31.823 0.068 0.000 0.940 152 V HN 0.728 nan 8.190 nan 0.000 0.489 153 T N 7.458 122.057 114.554 0.075 0.000 2.729 153 T HA 0.295 4.645 4.350 -0.000 0.000 0.296 153 T C -2.073 172.673 174.700 0.077 0.000 0.928 153 T CA -0.644 61.494 62.100 0.064 0.000 1.045 153 T CB 0.970 69.865 68.868 0.046 0.000 0.902 153 T HN 0.612 nan 8.240 nan 0.000 0.500 154 P HA 0.257 nan 4.420 nan 0.000 0.274 154 P C -0.896 176.473 177.300 0.114 0.000 1.231 154 P CA -0.599 62.561 63.100 0.099 0.000 0.790 154 P CB 0.654 32.401 31.700 0.079 0.000 0.951 155 F N 4.138 124.097 119.950 0.016 0.000 2.385 155 F HA 0.360 4.887 4.527 -0.000 0.000 0.360 155 F C -1.982 173.823 175.800 0.009 0.000 1.122 155 F CA -2.996 55.010 58.000 0.011 0.000 1.090 155 F CB 0.822 39.832 39.000 0.016 0.000 1.150 155 F HN 0.152 nan 8.300 nan 0.000 0.472 156 P HA 0.189 nan 4.420 nan 0.000 0.265 156 P C 0.533 177.968 177.300 0.225 0.000 1.193 156 P CA 1.087 64.233 63.100 0.077 0.000 0.765 156 P CB 1.093 32.761 31.700 -0.054 0.000 0.823 157 G N 2.903 111.798 108.800 0.159 0.000 2.258 157 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.233 157 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.233 157 G C 0.042 175.016 174.900 0.124 0.000 1.006 157 G CA -0.142 45.044 45.100 0.144 0.000 0.620 157 G HN 0.535 nan 8.290 nan 0.000 0.511 158 I N 2.101 122.771 120.570 0.166 0.000 2.378 158 I HA 0.449 4.619 4.170 -0.000 0.000 0.291 158 I C -0.265 175.895 176.117 0.072 0.000 0.992 158 I CA -0.560 60.781 61.300 0.067 0.000 1.154 158 I CB 2.085 40.067 38.000 -0.030 0.000 1.315 158 I HN -0.005 nan 8.210 nan 0.000 0.448 159 T N 7.060 121.635 114.554 0.035 0.000 2.758 159 T HA 0.505 4.855 4.350 -0.000 0.000 0.285 159 T C 0.117 174.828 174.700 0.019 0.000 0.981 159 T CA -0.356 61.764 62.100 0.034 0.000 0.965 159 T CB 0.687 69.570 68.868 0.025 0.000 0.927 159 T HN 0.261 nan 8.240 nan 0.000 0.448 160 I N 3.851 124.438 120.570 0.027 0.000 2.496 160 I HA 0.131 4.301 4.170 -0.000 0.000 0.285 160 I C 0.810 176.933 176.117 0.009 0.000 1.080 160 I CA -0.026 61.283 61.300 0.016 0.000 1.404 160 I CB 0.734 38.751 38.000 0.029 0.000 1.403 160 I HN 0.725 nan 8.210 nan 0.000 0.539 161 D N 4.422 124.820 120.400 -0.004 0.000 2.503 161 D HA -0.020 4.620 4.640 -0.000 0.000 0.218 161 D C 0.457 176.750 176.300 -0.012 0.000 1.183 161 D CA -0.171 53.825 54.000 -0.007 0.000 0.827 161 D CB 0.206 40.999 40.800 -0.013 0.000 1.034 161 D HN 0.424 nan 8.370 nan 0.000 0.510 162 E N -0.284 119.907 120.200 -0.014 0.000 2.971 162 E HA -0.287 4.063 4.350 -0.000 0.000 0.271 162 E C 0.180 176.760 176.600 -0.033 0.000 1.053 162 E CA 1.556 57.944 56.400 -0.019 0.000 0.817 162 E CB -1.455 28.241 29.700 -0.007 0.000 1.410 162 E HN 0.636 nan 8.360 nan 0.000 0.445 163 D N -1.027 119.349 120.400 -0.041 0.000 3.154 163 D HA 0.064 4.704 4.640 -0.000 0.000 0.278 163 D C 1.600 177.855 176.300 -0.076 0.000 1.460 163 D CA 1.663 55.631 54.000 -0.053 0.000 1.114 163 D CB -0.072 40.702 40.800 -0.043 0.000 1.151 163 D HN 0.043 nan 8.370 nan 0.000 0.376 164 T N -1.182 113.329 114.554 -0.070 0.000 3.038 164 T HA 0.321 4.671 4.350 -0.000 0.000 0.244 164 T C 0.522 175.171 174.700 -0.085 0.000 1.016 164 T CA -0.109 61.940 62.100 -0.085 0.000 1.098 164 T CB 0.056 68.881 68.868 -0.071 0.000 0.954 164 T HN 0.081 nan 8.240 nan 0.000 0.469 165 I N 3.908 124.439 120.570 -0.064 0.000 2.359 165 I HA 0.448 4.618 4.170 -0.000 0.000 0.284 165 I C -0.352 175.738 176.117 -0.044 0.000 1.018 165 I CA -0.978 60.287 61.300 -0.059 0.000 1.173 165 I CB 1.558 39.529 38.000 -0.048 0.000 1.326 165 I HN 0.091 nan 8.210 nan 0.000 0.462 166 V N 2.632 122.518 119.914 -0.046 0.000 3.103 166 V HA 0.793 4.913 4.120 -0.000 0.000 0.318 166 V C 0.135 176.230 176.094 0.001 0.000 1.114 166 V CA -0.484 61.800 62.300 -0.026 0.000 1.020 166 V CB 1.733 33.531 31.823 -0.041 0.000 1.085 166 V HN 0.690 nan 8.190 nan 0.000 0.446 167 S N 0.335 116.047 115.700 0.019 0.000 2.748 167 S HA 0.409 4.879 4.470 -0.000 0.000 0.299 167 S C 1.311 175.941 174.600 0.050 0.000 1.119 167 S CA 0.110 58.334 58.200 0.041 0.000 0.997 167 S CB 0.984 64.211 63.200 0.045 0.000 1.223 167 S HN 1.766 nan 8.310 nan 0.000 0.541 168 S N 0.073 115.812 115.700 0.065 0.000 2.419 168 S HA -0.117 4.353 4.470 -0.000 0.000 0.235 168 S C 1.671 176.313 174.600 0.070 0.000 1.019 168 S CA 1.629 59.877 58.200 0.080 0.000 0.982 168 S CB -1.518 61.730 63.200 0.081 0.000 0.789 168 S HN 0.755 nan 8.310 nan 0.000 0.490 169 T N 2.174 116.757 114.554 0.048 0.000 2.674 169 T HA 0.021 4.371 4.350 -0.000 0.000 0.265 169 T C 2.089 176.813 174.700 0.040 0.000 1.039 169 T CA 1.536 63.658 62.100 0.037 0.000 1.150 169 T CB -1.120 67.760 68.868 0.021 0.000 0.864 169 T HN 0.633 nan 8.240 nan 0.000 0.427 170 G N 0.912 109.729 108.800 0.028 0.000 2.422 170 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.218 170 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.218 170 G C 1.790 176.705 174.900 0.025 0.000 1.146 170 G CA 0.849 45.956 45.100 0.012 0.000 0.769 170 G HN 0.578 nan 8.290 nan 0.000 0.547 171 A N 0.329 123.182 122.820 0.055 0.000 2.019 171 A HA 0.170 4.490 4.320 -0.000 0.000 0.219 171 A C 2.272 180.052 177.584 0.327 0.000 1.164 171 A CA 0.875 52.989 52.037 0.129 0.000 0.644 171 A CB -0.255 18.842 19.000 0.162 0.000 0.805 171 A HN 0.371 nan 8.150 nan 0.000 0.449 172 L N -0.922 120.426 121.223 0.210 0.000 2.492 172 L HA 0.054 4.394 4.340 -0.000 0.000 0.223 172 L C 0.948 177.929 176.870 0.184 0.000 1.132 172 L CA 0.602 55.556 54.840 0.189 0.000 0.850 172 L CB 0.219 42.333 42.059 0.093 0.000 0.966 172 L HN 0.217 nan 8.230 nan 0.000 0.454 173 S N -0.123 115.673 115.700 0.160 0.000 2.902 173 S HA 0.261 4.731 4.470 -0.000 0.000 0.250 173 S C -0.033 174.617 174.600 0.083 0.000 1.046 173 S CA -0.526 57.743 58.200 0.115 0.000 1.069 173 S CB 0.325 63.557 63.200 0.054 0.000 0.967 173 S HN -0.039 nan 8.310 nan 0.000 0.530 174 L N 2.746 124.026 121.223 0.095 0.000 2.540 174 L HA 0.159 4.499 4.340 -0.000 0.000 0.276 174 L C 1.469 178.312 176.870 -0.045 0.000 1.212 174 L CA 0.538 55.297 54.840 -0.136 0.000 0.893 174 L CB 0.396 42.064 42.059 -0.652 0.000 1.138 174 L HN 0.038 nan 8.230 nan 0.000 0.491 175 K N 2.602 122.954 120.400 -0.080 0.000 2.217 175 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 175 K C 0.494 177.070 176.600 -0.039 0.000 1.051 175 K CA 0.803 57.068 56.287 -0.037 0.000 0.952 175 K CB -0.003 32.471 32.500 -0.044 0.000 0.736 175 K HN 0.481 nan 8.250 nan 0.000 0.453 176 K N 0.269 120.606 120.400 -0.106 0.000 2.508 176 K HA 0.217 4.537 4.320 -0.000 0.000 0.260 176 K C -1.059 175.437 176.600 -0.172 0.000 0.949 176 K CA -0.525 55.709 56.287 -0.088 0.000 0.834 176 K CB 2.325 34.773 32.500 -0.088 0.000 1.365 176 K HN -0.315 nan 8.250 nan 0.000 0.437 177 V N 5.288 125.174 119.914 -0.047 0.000 2.458 177 V HA 0.088 4.208 4.120 -0.000 0.000 0.287 177 V C -1.790 174.213 176.094 -0.152 0.000 1.009 177 V CA -0.850 61.436 62.300 -0.024 0.000 1.091 177 V CB 0.077 31.956 31.823 0.093 0.000 0.960 177 V HN 0.702 nan 8.190 nan 0.000 0.476 178 P HA 0.100 nan 4.420 nan 0.000 0.271 178 P C 0.602 177.822 177.300 -0.133 0.000 1.216 178 P CA -0.127 62.835 63.100 -0.230 0.000 0.776 178 P CB 1.347 32.856 31.700 -0.318 0.000 0.881 179 E N 2.263 122.399 120.200 -0.106 0.000 2.047 179 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 179 E C 0.430 176.982 176.600 -0.081 0.000 0.987 179 E CA 1.046 57.401 56.400 -0.075 0.000 0.799 179 E CB 0.194 29.856 29.700 -0.063 0.000 0.752 179 E HN 0.356 nan 8.360 nan 0.000 0.449 180 K N 0.288 120.631 120.400 -0.095 0.000 2.443 180 K HA 0.348 4.668 4.320 -0.000 0.000 0.252 180 K C -1.486 175.043 176.600 -0.119 0.000 0.933 180 K CA -0.566 55.663 56.287 -0.097 0.000 0.792 180 K CB 1.537 33.990 32.500 -0.078 0.000 1.185 180 K HN 0.004 nan 8.250 nan 0.000 0.425 181 M N 4.873 124.396 119.600 -0.128 0.000 2.327 181 M HA 0.402 4.882 4.480 -0.000 0.000 0.298 181 M C -1.788 174.441 176.300 -0.118 0.000 1.065 181 M CA -0.860 54.357 55.300 -0.139 0.000 0.916 181 M CB 1.953 34.453 32.600 -0.166 0.000 1.630 181 M HN 0.402 nan 8.290 nan 0.000 0.442 182 V N 4.980 124.836 119.914 -0.097 0.000 2.513 182 V HA 0.596 4.716 4.120 -0.000 0.000 0.299 182 V C -0.738 175.329 176.094 -0.046 0.000 1.035 182 V CA -0.656 61.602 62.300 -0.069 0.000 0.889 182 V CB 1.961 33.745 31.823 -0.065 0.000 0.988 182 V HN 0.689 nan 8.190 nan 0.000 0.440 183 V N 6.040 125.952 119.914 -0.002 0.000 2.448 183 V HA 0.500 4.620 4.120 -0.000 0.000 0.295 183 V C -0.181 175.953 176.094 0.067 0.000 1.025 183 V CA -0.486 61.842 62.300 0.047 0.000 0.859 183 V CB 1.824 33.716 31.823 0.116 0.000 0.988 183 V HN 0.654 nan 8.190 nan 0.000 0.431 184 I N 4.262 124.863 120.570 0.052 0.000 2.315 184 I HA 0.672 4.842 4.170 -0.000 0.000 0.291 184 I C 0.769 176.970 176.117 0.139 0.000 1.006 184 I CA -0.016 61.330 61.300 0.076 0.000 1.265 184 I CB 1.238 39.241 38.000 0.005 0.000 1.387 184 I HN 0.900 nan 8.210 nan 0.000 0.475 185 G N 4.614 113.513 108.800 0.166 0.000 3.238 185 G HA2 0.054 4.014 3.960 -0.000 0.000 0.684 185 G HA3 0.054 4.014 3.960 -0.000 0.000 0.684 185 G C -0.173 174.831 174.900 0.174 0.000 1.156 185 G CA -0.346 44.853 45.100 0.164 0.000 1.048 185 G HN 0.957 nan 8.290 nan 0.000 0.462 186 A N 1.879 124.794 122.820 0.159 0.000 3.163 186 A HA 0.741 5.061 4.320 -0.000 0.000 0.283 186 A C 1.503 179.157 177.584 0.117 0.000 1.412 186 A CA 1.170 53.313 52.037 0.176 0.000 1.053 186 A CB -0.292 18.804 19.000 0.159 0.000 1.082 186 A HN 1.981 nan 8.150 nan 0.000 0.639 187 G N -0.906 107.981 108.800 0.145 0.000 2.582 187 G HA2 0.335 4.295 3.960 -0.000 0.000 0.232 187 G HA3 0.335 4.295 3.960 -0.000 0.000 0.232 187 G C 1.088 176.110 174.900 0.205 0.000 1.458 187 G CA 0.371 45.565 45.100 0.157 0.000 1.062 187 G HN 0.160 nan 8.290 nan 0.000 0.566 188 V N 0.170 120.208 119.914 0.208 0.000 2.307 188 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 188 V C 2.837 179.061 176.094 0.218 0.000 1.045 188 V CA 1.450 63.886 62.300 0.226 0.000 1.024 188 V CB -0.721 31.218 31.823 0.194 0.000 0.651 188 V HN 0.523 nan 8.190 nan 0.000 0.449 189 I N 0.871 121.551 120.570 0.184 0.000 2.226 189 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 189 I C 2.634 178.877 176.117 0.210 0.000 1.100 189 I CA 1.744 63.149 61.300 0.176 0.000 1.374 189 I CB -0.986 37.100 38.000 0.143 0.000 1.057 189 I HN 0.421 nan 8.210 nan 0.000 0.413 190 G N 0.551 109.483 108.800 0.221 0.000 2.459 190 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 190 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 190 G C 1.694 176.820 174.900 0.377 0.000 1.183 190 G CA 1.050 46.312 45.100 0.270 0.000 0.776 190 G HN 0.253 nan 8.290 nan 0.000 0.552 191 V N 0.578 120.694 119.914 0.337 0.000 2.427 191 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 191 V C 2.675 179.014 176.094 0.409 0.000 1.051 191 V CA 2.107 64.621 62.300 0.356 0.000 1.048 191 V CB -0.384 31.573 31.823 0.224 0.000 0.666 191 V HN 0.467 nan 8.190 nan 0.000 0.456 192 E N 0.102 120.493 120.200 0.317 0.000 2.015 192 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 192 E C 2.260 178.981 176.600 0.203 0.000 0.991 192 E CA 1.210 57.765 56.400 0.258 0.000 0.802 192 E CB -0.176 29.654 29.700 0.217 0.000 0.759 192 E HN 0.458 nan 8.360 nan 0.000 0.447 193 L N 0.434 121.777 121.223 0.199 0.000 2.141 193 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 193 L C 2.554 179.546 176.870 0.204 0.000 1.094 193 L CA 1.026 55.972 54.840 0.178 0.000 0.763 193 L CB -0.722 41.470 42.059 0.222 0.000 0.908 193 L HN 0.256 nan 8.230 nan 0.000 0.437 194 G N -0.959 107.979 108.800 0.230 0.000 2.418 194 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 194 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 194 G C 1.813 176.640 174.900 -0.123 0.000 1.158 194 G CA 0.990 46.105 45.100 0.025 0.000 0.771 194 G HN 0.303 nan 8.290 nan 0.000 0.545 195 S N -0.544 115.261 115.700 0.176 0.000 2.368 195 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 195 S C 2.559 177.151 174.600 -0.014 0.000 1.030 195 S CA 1.294 59.579 58.200 0.141 0.000 0.999 195 S CB -0.298 63.081 63.200 0.298 0.000 0.844 195 S HN 0.137 nan 8.310 nan 0.000 0.459 196 V N 0.106 119.973 119.914 -0.077 0.000 2.252 196 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 196 V C 1.941 177.791 176.094 -0.408 0.000 1.056 196 V CA 2.092 64.219 62.300 -0.289 0.000 1.022 196 V CB -0.818 30.725 31.823 -0.467 0.000 0.641 196 V HN 0.676 nan 8.190 nan 0.000 0.445 197 W N -0.748 120.498 121.300 -0.090 0.000 2.467 197 W HA -0.100 4.560 4.660 -0.000 0.000 0.275 197 W C 2.650 179.071 176.519 -0.163 0.000 1.239 197 W CA 0.894 58.163 57.345 -0.127 0.000 1.266 197 W CB -0.238 29.143 29.460 -0.131 0.000 1.112 197 W HN 0.175 nan 8.180 nan 0.000 0.576 198 Q N 1.425 121.198 119.800 -0.044 0.000 2.050 198 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 198 Q C 1.991 177.933 176.000 -0.097 0.000 0.980 198 Q CA 1.655 57.377 55.803 -0.134 0.000 0.840 198 Q CB -0.315 28.258 28.738 -0.275 0.000 0.898 198 Q HN 0.302 nan 8.270 nan 0.000 0.424 199 R N -0.110 120.327 120.500 -0.104 0.000 2.096 199 R HA -0.043 4.297 4.340 -0.000 0.000 0.235 199 R C 2.389 178.682 176.300 -0.012 0.000 1.127 199 R CA 1.184 57.225 56.100 -0.100 0.000 0.968 199 R CB -0.238 30.024 30.300 -0.063 0.000 0.861 199 R HN 0.267 nan 8.270 nan 0.000 0.440 200 L N -0.949 120.234 121.223 -0.066 0.000 2.552 200 L HA 0.129 4.469 4.340 -0.000 0.000 0.227 200 L C 1.232 178.077 176.870 -0.042 0.000 1.146 200 L CA 0.692 55.456 54.840 -0.126 0.000 0.858 200 L CB 0.157 42.107 42.059 -0.181 0.000 0.969 200 L HN 0.553 nan 8.230 nan 0.000 0.451 201 G N -0.825 107.973 108.800 -0.003 0.000 2.318 201 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.172 201 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.172 201 G C 0.320 175.217 174.900 -0.006 0.000 1.002 201 G CA -0.198 44.899 45.100 -0.005 0.000 0.697 201 G HN 0.375 nan 8.290 nan 0.000 0.483 202 A N 0.308 123.136 122.820 0.013 0.000 2.351 202 A HA 0.539 4.859 4.320 -0.000 0.000 0.257 202 A C 0.021 177.559 177.584 -0.077 0.000 1.087 202 A CA 0.456 52.477 52.037 -0.027 0.000 0.798 202 A CB 0.511 19.508 19.000 -0.004 0.000 1.033 202 A HN 0.304 nan 8.150 nan 0.000 0.488 203 D N 1.641 121.986 120.400 -0.092 0.000 2.396 203 D HA 0.410 5.050 4.640 -0.000 0.000 0.225 203 D C -0.999 175.210 176.300 -0.152 0.000 1.121 203 D CA 0.029 53.964 54.000 -0.108 0.000 0.853 203 D CB 0.897 41.650 40.800 -0.079 0.000 1.043 203 D HN 0.108 nan 8.370 nan 0.000 0.500 204 V N 3.574 123.348 119.914 -0.233 0.000 2.459 204 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 204 V C 0.374 176.289 176.094 -0.298 0.000 1.029 204 V CA -0.544 61.559 62.300 -0.327 0.000 0.874 204 V CB 1.956 33.412 31.823 -0.610 0.000 0.985 204 V HN 0.547 nan 8.190 nan 0.000 0.438 205 T N 3.797 118.237 114.554 -0.191 0.000 2.879 205 T HA 0.687 5.037 4.350 -0.000 0.000 0.290 205 T C -0.222 174.458 174.700 -0.034 0.000 0.993 205 T CA -0.314 61.717 62.100 -0.114 0.000 0.975 205 T CB 1.628 70.455 68.868 -0.068 0.000 0.981 205 T HN 0.917 nan 8.240 nan 0.000 0.439 206 A N 3.019 125.850 122.820 0.018 0.000 2.276 206 A HA 0.739 5.059 4.320 -0.000 0.000 0.316 206 A C -0.255 177.431 177.584 0.170 0.000 1.229 206 A CA -0.576 51.557 52.037 0.161 0.000 0.851 206 A CB 0.588 19.791 19.000 0.338 0.000 1.165 206 A HN 0.682 nan 8.150 nan 0.000 0.513 207 V N 2.625 122.622 119.914 0.139 0.000 2.370 207 V HA 0.471 4.591 4.120 -0.000 0.000 0.279 207 V C -0.180 176.008 176.094 0.157 0.000 1.029 207 V CA -0.309 62.068 62.300 0.127 0.000 0.870 207 V CB 1.167 33.040 31.823 0.083 0.000 0.984 207 V HN 0.976 nan 8.190 nan 0.000 0.451 208 E N 3.065 123.353 120.200 0.147 0.000 2.224 208 E HA 0.355 4.705 4.350 -0.000 0.000 0.265 208 E C -0.020 176.655 176.600 0.125 0.000 0.878 208 E CA -0.650 55.831 56.400 0.135 0.000 0.759 208 E CB 1.417 31.163 29.700 0.076 0.000 1.164 208 E HN 0.413 nan 8.360 nan 0.000 0.414 209 F N 4.370 124.346 119.950 0.042 0.000 2.186 209 F HA 0.132 4.659 4.527 -0.000 0.000 0.299 209 F C 0.356 176.160 175.800 0.006 0.000 1.090 209 F CA 0.994 59.015 58.000 0.035 0.000 1.307 209 F CB 0.236 39.263 39.000 0.045 0.000 1.019 209 F HN 0.431 nan 8.300 nan 0.000 0.489 210 L N -0.976 120.339 121.223 0.153 0.000 2.490 210 L HA 0.276 4.616 4.340 -0.000 0.000 0.245 210 L C 1.593 178.427 176.870 -0.061 0.000 1.185 210 L CA 0.071 54.939 54.840 0.046 0.000 0.813 210 L CB -0.047 42.020 42.059 0.013 0.000 1.233 210 L HN 0.021 nan 8.230 nan 0.000 0.489 211 G N -1.090 107.705 108.800 -0.007 0.000 3.448 211 G HA2 0.173 4.133 3.960 -0.000 0.000 0.261 211 G HA3 0.173 4.133 3.960 -0.000 0.000 0.261 211 G C -0.003 174.913 174.900 0.026 0.000 1.173 211 G CA 0.038 45.136 45.100 -0.003 0.000 0.835 211 G HN 0.728 nan 8.290 nan 0.000 0.534 212 H N -2.365 116.667 119.070 -0.062 0.000 3.014 212 H HA 0.536 5.092 4.556 -0.000 0.000 0.337 212 H C -1.309 173.948 175.328 -0.118 0.000 1.320 212 H CA -0.799 55.185 56.048 -0.107 0.000 1.128 212 H CB 1.219 30.928 29.762 -0.088 0.000 1.862 212 H HN 0.175 nan 8.280 nan 0.000 0.536 213 V N -1.796 118.014 119.914 -0.174 0.000 2.834 213 V HA 0.766 4.886 4.120 -0.000 0.000 0.313 213 V C 1.032 177.186 176.094 0.099 0.000 1.060 213 V CA 0.285 62.467 62.300 -0.198 0.000 0.989 213 V CB 0.807 32.326 31.823 -0.506 0.000 1.041 213 V HN 1.506 nan 8.190 nan 0.000 0.459 214 G N 0.330 109.222 108.800 0.153 0.000 2.184 214 G HA2 0.334 4.294 3.960 -0.000 0.000 0.206 214 G HA3 0.334 4.294 3.960 -0.000 0.000 0.206 214 G C 1.495 176.571 174.900 0.294 0.000 0.995 214 G CA 0.337 45.609 45.100 0.288 0.000 0.651 214 G HN 2.987 nan 8.290 nan 0.000 0.511 215 G N -1.811 107.125 108.800 0.228 0.000 2.681 215 G HA2 0.169 4.129 3.960 -0.000 0.000 0.220 215 G HA3 0.169 4.129 3.960 -0.000 0.000 0.220 215 G C 0.029 175.118 174.900 0.315 0.000 1.353 215 G CA 0.121 45.366 45.100 0.243 0.000 0.872 215 G HN 1.468 nan 8.290 nan 0.000 0.557 216 V N 1.305 121.372 119.914 0.255 0.000 2.649 216 V HA 0.539 4.659 4.120 -0.000 0.000 0.292 216 V C 1.854 178.088 176.094 0.233 0.000 1.055 216 V CA 1.880 64.308 62.300 0.213 0.000 1.023 216 V CB 0.567 32.482 31.823 0.153 0.000 0.992 216 V HN 2.849 nan 8.190 nan 0.000 0.480 217 G N 4.076 112.944 108.800 0.113 0.000 2.225 217 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.254 217 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.254 217 G C 0.253 175.036 174.900 -0.195 0.000 0.988 217 G CA 0.265 45.432 45.100 0.111 0.000 0.625 217 G HN 0.684 nan 8.290 nan 0.000 0.527 218 I N 1.724 122.040 120.570 -0.423 0.000 2.696 218 I HA 0.369 4.539 4.170 -0.000 0.000 0.284 218 I C 0.547 176.228 176.117 -0.727 0.000 1.129 218 I CA -0.226 60.424 61.300 -1.084 0.000 1.410 218 I CB 0.613 38.150 38.000 -0.772 0.000 1.399 218 I HN 0.239 nan 8.210 nan 0.000 0.579 219 D N 6.253 126.174 120.400 -0.800 0.000 2.383 219 D HA 0.013 4.653 4.640 -0.000 0.000 0.252 219 D C 1.073 177.108 176.300 -0.442 0.000 1.166 219 D CA -0.245 53.379 54.000 -0.627 0.000 0.879 219 D CB 0.932 41.198 40.800 -0.891 0.000 1.164 219 D HN 0.400 nan 8.370 nan 0.000 0.462 220 M N 2.583 121.969 119.600 -0.356 0.000 2.108 220 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 220 M C 1.840 178.032 176.300 -0.181 0.000 1.066 220 M CA 1.527 56.671 55.300 -0.261 0.000 1.107 220 M CB -1.088 31.383 32.600 -0.216 0.000 1.356 220 M HN 0.724 nan 8.290 nan 0.000 0.406 221 E N 0.464 120.558 120.200 -0.176 0.000 2.077 221 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 221 E C 1.986 178.524 176.600 -0.104 0.000 0.989 221 E CA 1.103 57.432 56.400 -0.117 0.000 0.800 221 E CB 0.128 29.765 29.700 -0.104 0.000 0.746 221 E HN 0.316 nan 8.360 nan 0.000 0.452 222 I N 1.011 121.487 120.570 -0.157 0.000 2.179 222 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 222 I C 2.662 178.747 176.117 -0.054 0.000 1.088 222 I CA 1.217 62.450 61.300 -0.111 0.000 1.357 222 I CB -1.325 36.570 38.000 -0.175 0.000 1.051 222 I HN 0.223 nan 8.210 nan 0.000 0.409 223 S N 0.633 116.274 115.700 -0.098 0.000 2.370 223 S HA -0.194 4.276 4.470 -0.000 0.000 0.226 223 S C 2.055 176.673 174.600 0.031 0.000 1.033 223 S CA 1.324 59.528 58.200 0.007 0.000 1.011 223 S CB 0.005 63.182 63.200 -0.038 0.000 0.852 223 S HN 0.270 nan 8.310 nan 0.000 0.457 224 K N 1.310 121.696 120.400 -0.024 0.000 2.002 224 K HA 0.015 4.335 4.320 -0.000 0.000 0.209 224 K C 1.952 178.549 176.600 -0.005 0.000 1.048 224 K CA 1.320 57.587 56.287 -0.032 0.000 0.930 224 K CB -0.945 31.532 32.500 -0.038 0.000 0.714 224 K HN 0.374 nan 8.250 nan 0.000 0.438 225 N N 0.779 119.493 118.700 0.023 0.000 2.166 225 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 225 N C 1.587 177.169 175.510 0.119 0.000 1.019 225 N CA 0.725 53.806 53.050 0.053 0.000 0.856 225 N CB -0.432 38.085 38.487 0.049 0.000 0.993 225 N HN 0.098 nan 8.380 nan 0.000 0.426 226 F N 2.063 121.982 119.950 -0.052 0.000 2.075 226 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 226 F C 2.485 178.242 175.800 -0.071 0.000 1.113 226 F CA 1.477 59.449 58.000 -0.047 0.000 1.218 226 F CB -0.868 38.098 39.000 -0.056 0.000 0.984 226 F HN 0.082 nan 8.300 nan 0.000 0.472 227 Q N -0.102 119.569 119.800 -0.215 0.000 2.112 227 Q HA -0.294 4.046 4.340 -0.000 0.000 0.206 227 Q C 2.342 178.250 176.000 -0.154 0.000 0.987 227 Q CA 2.037 57.589 55.803 -0.418 0.000 0.858 227 Q CB -0.171 28.312 28.738 -0.425 0.000 0.905 227 Q HN 0.230 nan 8.270 nan 0.000 0.420 228 R N 0.061 120.528 120.500 -0.055 0.000 2.096 228 R HA -0.020 4.320 4.340 -0.000 0.000 0.235 228 R C 2.088 178.413 176.300 0.041 0.000 1.127 228 R CA 1.289 57.395 56.100 0.011 0.000 0.968 228 R CB -0.269 30.044 30.300 0.022 0.000 0.861 228 R HN 0.382 nan 8.270 nan 0.000 0.440 229 I N -0.211 120.386 120.570 0.045 0.000 2.286 229 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 229 I C 1.825 177.990 176.117 0.080 0.000 1.104 229 I CA 1.003 62.352 61.300 0.081 0.000 1.397 229 I CB -0.174 37.901 38.000 0.125 0.000 1.072 229 I HN 0.103 nan 8.210 nan 0.000 0.417 230 L N -0.038 121.189 121.223 0.007 0.000 2.046 230 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 230 L C 2.613 179.581 176.870 0.163 0.000 1.077 230 L CA 1.434 56.301 54.840 0.045 0.000 0.747 230 L CB -0.589 41.362 42.059 -0.179 0.000 0.896 230 L HN 0.311 nan 8.230 nan 0.000 0.432 231 Q N 0.099 119.997 119.800 0.162 0.000 2.084 231 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 231 Q C 2.129 178.202 176.000 0.121 0.000 0.978 231 Q CA 1.468 57.374 55.803 0.172 0.000 0.844 231 Q CB 0.021 28.858 28.738 0.165 0.000 0.898 231 Q HN 0.441 nan 8.270 nan 0.000 0.426 232 K N 0.272 120.735 120.400 0.104 0.000 2.362 232 K HA -0.142 4.178 4.320 -0.000 0.000 0.200 232 K C 1.785 178.446 176.600 0.101 0.000 1.046 232 K CA 0.819 57.162 56.287 0.093 0.000 0.952 232 K CB 0.069 32.622 32.500 0.088 0.000 0.753 232 K HN 0.286 nan 8.250 nan 0.000 0.466 233 Q N -0.770 119.102 119.800 0.120 0.000 2.432 233 Q HA 0.009 4.349 4.340 -0.000 0.000 0.205 233 Q C 1.055 177.096 176.000 0.069 0.000 0.945 233 Q CA 0.760 56.631 55.803 0.112 0.000 0.924 233 Q CB 0.655 29.482 28.738 0.147 0.000 1.016 233 Q HN 0.550 nan 8.270 nan 0.000 0.503 234 G N 0.106 108.955 108.800 0.082 0.000 2.296 234 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.188 234 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.188 234 G C -0.314 174.604 174.900 0.031 0.000 1.000 234 G CA -0.665 44.455 45.100 0.033 0.000 0.672 234 G HN 0.254 nan 8.290 nan 0.000 0.483 235 F N 3.720 123.610 119.950 -0.100 0.000 2.502 235 F HA 0.562 5.089 4.527 -0.000 0.000 0.371 235 F C 0.823 176.399 175.800 -0.373 0.000 1.083 235 F CA -0.407 57.447 58.000 -0.244 0.000 1.174 235 F CB 0.466 39.342 39.000 -0.207 0.000 1.096 235 F HN 0.005 nan 8.300 nan 0.000 0.545 236 K N 5.602 125.966 120.400 -0.060 0.000 2.123 236 K HA 0.562 4.882 4.320 -0.000 0.000 0.259 236 K C -1.383 174.967 176.600 -0.418 0.000 0.960 236 K CA -0.562 55.638 56.287 -0.144 0.000 0.872 236 K CB 1.544 34.007 32.500 -0.062 0.000 1.079 236 K HN 0.348 nan 8.250 nan 0.000 0.440 237 F N 0.925 120.924 119.950 0.081 0.000 2.565 237 F HA 0.364 4.891 4.527 -0.000 0.000 0.313 237 F C 0.017 175.829 175.800 0.019 0.000 1.091 237 F CA -1.009 57.014 58.000 0.038 0.000 0.915 237 F CB 1.738 40.713 39.000 -0.042 0.000 1.208 237 F HN 0.032 nan 8.300 nan 0.000 0.453 238 K N 4.676 125.203 120.400 0.212 0.000 2.530 238 K HA 0.449 4.769 4.320 -0.000 0.000 0.230 238 K C -0.822 175.840 176.600 0.103 0.000 1.002 238 K CA -0.157 56.199 56.287 0.116 0.000 1.014 238 K CB 1.150 33.694 32.500 0.074 0.000 1.286 238 K HN 0.580 nan 8.250 nan 0.000 0.480 239 L N 1.244 122.509 121.223 0.070 0.000 2.439 239 L HA 0.269 4.609 4.340 -0.000 0.000 0.259 239 L C 0.875 177.722 176.870 -0.038 0.000 1.129 239 L CA -0.634 54.212 54.840 0.010 0.000 0.803 239 L CB 0.256 42.299 42.059 -0.026 0.000 1.161 239 L HN 0.616 nan 8.230 nan 0.000 0.462 240 N N -0.026 118.617 118.700 -0.094 0.000 2.721 240 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 240 N C -0.583 174.804 175.510 -0.205 0.000 1.072 240 N CA 0.934 53.868 53.050 -0.194 0.000 0.710 240 N CB -1.139 37.266 38.487 -0.137 0.000 0.993 240 N HN 0.691 nan 8.380 nan 0.000 0.547 241 T N 0.426 114.898 114.554 -0.138 0.000 2.861 241 T HA 0.364 4.714 4.350 -0.000 0.000 0.287 241 T C 0.253 174.971 174.700 0.031 0.000 1.003 241 T CA -0.692 61.372 62.100 -0.059 0.000 0.977 241 T CB 2.837 71.711 68.868 0.010 0.000 0.996 241 T HN 0.140 nan 8.240 nan 0.000 0.448 242 K N 2.267 122.717 120.400 0.083 0.000 2.110 242 K HA 0.629 4.949 4.320 -0.000 0.000 0.263 242 K C -0.915 175.816 176.600 0.219 0.000 0.975 242 K CA -0.644 55.809 56.287 0.275 0.000 0.895 242 K CB 1.022 33.710 32.500 0.314 0.000 1.060 242 K HN 0.322 nan 8.250 nan 0.000 0.448 243 V N 4.128 124.218 119.914 0.293 0.000 2.364 243 V HA 0.056 4.176 4.120 -0.000 0.000 0.272 243 V C 0.943 177.183 176.094 0.244 0.000 1.036 243 V CA -0.268 62.145 62.300 0.187 0.000 0.880 243 V CB 1.151 32.991 31.823 0.027 0.000 0.991 243 V HN 1.020 nan 8.190 nan 0.000 0.460 244 T N 3.530 118.167 114.554 0.138 0.000 2.857 244 T HA 0.233 4.583 4.350 -0.000 0.000 0.266 244 T C 0.790 175.564 174.700 0.123 0.000 1.048 244 T CA 1.341 63.519 62.100 0.129 0.000 1.139 244 T CB 0.081 68.996 68.868 0.077 0.000 0.874 244 T HN 0.970 nan 8.240 nan 0.000 0.455 245 G N -0.622 108.210 108.800 0.054 0.000 2.322 245 G HA2 0.577 4.537 3.960 -0.000 0.000 0.295 245 G HA3 0.577 4.537 3.960 -0.000 0.000 0.295 245 G C -2.225 172.643 174.900 -0.053 0.000 1.369 245 G CA -0.210 44.902 45.100 0.020 0.000 0.821 245 G HN 0.406 nan 8.290 nan 0.000 0.536 246 A N -0.397 122.388 122.820 -0.058 0.000 2.517 246 A HA 0.949 5.269 4.320 -0.000 0.000 0.297 246 A C -0.309 177.249 177.584 -0.044 0.000 1.050 246 A CA 0.220 52.214 52.037 -0.072 0.000 0.694 246 A CB 1.691 20.616 19.000 -0.125 0.000 1.277 246 A HN 2.135 nan 8.150 nan 0.000 0.400 247 T N -0.620 113.912 114.554 -0.038 0.000 2.848 247 T HA 0.623 4.973 4.350 -0.000 0.000 0.285 247 T C -0.592 174.089 174.700 -0.032 0.000 0.995 247 T CA -0.739 61.345 62.100 -0.027 0.000 0.970 247 T CB 1.520 70.377 68.868 -0.018 0.000 0.976 247 T HN 0.701 nan 8.240 nan 0.000 0.441 248 K N 2.653 123.035 120.400 -0.030 0.000 2.258 248 K HA 0.324 4.644 4.320 -0.000 0.000 0.284 248 K C -0.264 176.319 176.600 -0.027 0.000 1.051 248 K CA -0.607 55.660 56.287 -0.033 0.000 0.923 248 K CB 0.561 33.042 32.500 -0.032 0.000 1.046 248 K HN 0.582 nan 8.250 nan 0.000 0.474 249 K N 1.396 121.779 120.400 -0.029 0.000 2.098 249 K HA 0.088 4.408 4.320 -0.000 0.000 0.258 249 K C 1.240 177.826 176.600 -0.024 0.000 0.973 249 K CA -0.366 55.906 56.287 -0.024 0.000 0.898 249 K CB 1.433 33.918 32.500 -0.025 0.000 1.057 249 K HN 0.730 nan 8.250 nan 0.000 0.447 250 S N 0.425 116.113 115.700 -0.020 0.000 2.440 250 S HA -0.183 4.287 4.470 -0.000 0.000 0.240 250 S C 1.132 175.719 174.600 -0.021 0.000 1.014 250 S CA 1.678 59.866 58.200 -0.019 0.000 0.980 250 S CB -0.391 62.800 63.200 -0.015 0.000 0.775 250 S HN 0.779 nan 8.310 nan 0.000 0.499 251 D N 0.342 120.728 120.400 -0.023 0.000 2.349 251 D HA 0.222 4.862 4.640 -0.000 0.000 0.224 251 D C 1.484 177.766 176.300 -0.030 0.000 1.029 251 D CA 0.692 54.677 54.000 -0.024 0.000 0.879 251 D CB -0.586 40.200 40.800 -0.024 0.000 0.906 251 D HN 0.584 nan 8.370 nan 0.000 0.528 252 G N 0.152 108.932 108.800 -0.032 0.000 2.268 252 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.240 252 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.240 252 G C 0.448 175.321 174.900 -0.045 0.000 1.010 252 G CA 0.110 45.187 45.100 -0.039 0.000 0.618 252 G HN 0.366 nan 8.290 nan 0.000 0.516 253 K N 0.336 120.710 120.400 -0.043 0.000 2.230 253 K HA 0.560 4.880 4.320 -0.000 0.000 0.253 253 K C 0.309 176.880 176.600 -0.048 0.000 1.008 253 K CA 0.072 56.331 56.287 -0.047 0.000 0.910 253 K CB 0.822 33.297 32.500 -0.042 0.000 0.994 253 K HN 0.379 nan 8.250 nan 0.000 0.495 254 I N 1.484 122.022 120.570 -0.054 0.000 2.436 254 I HA 0.113 4.283 4.170 -0.000 0.000 0.289 254 I C -0.655 175.431 176.117 -0.051 0.000 1.010 254 I CA -0.796 60.471 61.300 -0.054 0.000 1.098 254 I CB 1.957 39.917 38.000 -0.067 0.000 1.266 254 I HN 0.292 nan 8.210 nan 0.000 0.434 255 D N 5.664 126.037 120.400 -0.045 0.000 2.274 255 D HA 0.364 5.004 4.640 -0.000 0.000 0.239 255 D C -0.620 175.653 176.300 -0.046 0.000 1.104 255 D CA -0.040 53.936 54.000 -0.039 0.000 0.840 255 D CB 2.240 43.023 40.800 -0.029 0.000 1.100 255 D HN 0.030 nan 8.370 nan 0.000 0.477 256 V N 2.609 122.495 119.914 -0.048 0.000 2.334 256 V HA 0.267 4.387 4.120 -0.000 0.000 0.281 256 V C 0.253 176.327 176.094 -0.035 0.000 1.016 256 V CA -0.673 61.593 62.300 -0.057 0.000 0.832 256 V CB 1.372 33.153 31.823 -0.069 0.000 0.999 256 V HN 0.422 nan 8.190 nan 0.000 0.439 257 S N 6.458 122.144 115.700 -0.025 0.000 2.513 257 S HA 0.732 5.202 4.470 -0.000 0.000 0.276 257 S C -0.098 174.510 174.600 0.014 0.000 1.254 257 S CA -0.335 57.864 58.200 -0.001 0.000 1.053 257 S CB 0.658 63.864 63.200 0.009 0.000 0.958 257 S HN 0.704 nan 8.310 nan 0.000 0.491 258 I N -0.215 120.368 120.570 0.021 0.000 3.174 258 I HA 0.805 4.975 4.170 -0.000 0.000 0.313 258 I C -0.743 175.395 176.117 0.036 0.000 1.155 258 I CA -0.965 60.357 61.300 0.038 0.000 0.977 258 I CB 2.253 40.272 38.000 0.031 0.000 1.248 258 I HN 0.430 nan 8.210 nan 0.000 0.453 259 E N 1.150 121.376 120.200 0.042 0.000 2.430 259 E HA 0.616 4.966 4.350 -0.000 0.000 0.279 259 E C -1.265 175.341 176.600 0.010 0.000 1.003 259 E CA -1.203 55.214 56.400 0.028 0.000 0.801 259 E CB 2.345 32.069 29.700 0.039 0.000 1.313 259 E HN 0.899 nan 8.360 nan 0.000 0.459 260 A N 0.835 123.650 122.820 -0.010 0.000 2.498 260 A HA 0.388 4.708 4.320 -0.000 0.000 0.239 260 A C 1.122 178.662 177.584 -0.074 0.000 1.068 260 A CA 0.809 52.819 52.037 -0.045 0.000 0.766 260 A CB 0.371 19.348 19.000 -0.039 0.000 1.003 260 A HN 0.744 nan 8.150 nan 0.000 0.497 261 A N 1.879 124.588 122.820 -0.185 0.000 1.940 261 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 261 A C 2.000 179.498 177.584 -0.144 0.000 1.176 261 A CA 2.142 53.985 52.037 -0.324 0.000 0.631 261 A CB -0.823 17.653 19.000 -0.874 0.000 0.814 261 A HN 1.733 nan 8.150 nan 0.000 0.446 262 S N -0.843 114.792 115.700 -0.109 0.000 2.763 262 S HA 0.452 4.922 4.470 -0.000 0.000 0.237 262 S C 0.830 175.423 174.600 -0.011 0.000 0.966 262 S CA 0.399 58.574 58.200 -0.042 0.000 1.017 262 S CB -1.243 61.931 63.200 -0.043 0.000 0.780 262 S HN 2.018 nan 8.310 nan 0.000 0.476 263 G N -0.433 108.367 108.800 -0.001 0.000 2.722 263 G HA2 0.419 4.379 3.960 -0.000 0.000 0.686 263 G HA3 0.419 4.379 3.960 -0.000 0.000 0.686 263 G C 0.285 175.189 174.900 0.006 0.000 1.282 263 G CA -0.573 44.535 45.100 0.014 0.000 0.817 263 G HN 2.008 nan 8.290 nan 0.000 0.605 264 G N 0.714 109.521 108.800 0.013 0.000 2.698 264 G HA2 0.318 4.278 3.960 -0.000 0.000 0.225 264 G HA3 0.318 4.278 3.960 -0.000 0.000 0.225 264 G C 0.463 175.367 174.900 0.007 0.000 1.345 264 G CA 0.988 46.093 45.100 0.009 0.000 0.871 264 G HN 2.442 nan 8.290 nan 0.000 0.540 265 K N -1.648 118.755 120.400 0.005 0.000 3.148 265 K HA 0.024 4.344 4.320 -0.000 0.000 0.267 265 K C 0.810 177.415 176.600 0.008 0.000 0.996 265 K CA 1.381 57.671 56.287 0.004 0.000 0.737 265 K CB -1.518 30.982 32.500 -0.000 0.000 1.308 265 K HN 2.353 nan 8.250 nan 0.000 0.470 266 A N 1.619 124.445 122.820 0.011 0.000 2.531 266 A HA 0.210 4.530 4.320 -0.000 0.000 0.236 266 A C 0.105 177.695 177.584 0.010 0.000 1.062 266 A CA 0.684 52.729 52.037 0.014 0.000 0.760 266 A CB 0.237 19.246 19.000 0.014 0.000 0.995 266 A HN 0.571 nan 8.150 nan 0.000 0.501 267 E N -0.006 120.201 120.200 0.010 0.000 2.445 267 E HA 0.578 4.928 4.350 -0.000 0.000 0.279 267 E C -1.813 174.789 176.600 0.003 0.000 1.018 267 E CA -0.815 55.588 56.400 0.006 0.000 0.816 267 E CB 2.366 32.070 29.700 0.006 0.000 1.356 267 E HN 0.401 nan 8.360 nan 0.000 0.462 268 V N 2.180 122.092 119.914 -0.002 0.000 2.686 268 V HA 0.409 4.529 4.120 -0.000 0.000 0.306 268 V C -0.973 175.113 176.094 -0.014 0.000 1.065 268 V CA -0.796 61.499 62.300 -0.008 0.000 0.894 268 V CB 1.704 33.521 31.823 -0.009 0.000 1.004 268 V HN 0.482 nan 8.190 nan 0.000 0.424 269 I N 3.159 123.717 120.570 -0.020 0.000 2.406 269 I HA 0.478 4.648 4.170 -0.000 0.000 0.290 269 I C 0.255 176.350 176.117 -0.036 0.000 0.999 269 I CA -0.158 61.126 61.300 -0.027 0.000 1.124 269 I CB 1.964 39.947 38.000 -0.029 0.000 1.289 269 I HN 0.545 nan 8.210 nan 0.000 0.441 270 T N 5.821 120.353 114.554 -0.037 0.000 2.795 270 T HA 0.584 4.934 4.350 -0.000 0.000 0.282 270 T C -0.010 174.659 174.700 -0.052 0.000 0.980 270 T CA -0.401 61.673 62.100 -0.042 0.000 1.012 270 T CB 1.136 69.983 68.868 -0.035 0.000 0.936 270 T HN 0.829 nan 8.240 nan 0.000 0.457 271 C N 1.240 120.504 119.300 -0.061 0.000 3.285 271 C HA 0.653 5.113 4.460 -0.000 0.000 0.320 271 C C 0.681 175.623 174.990 -0.080 0.000 1.411 271 C CA -0.800 58.174 59.018 -0.074 0.000 1.429 271 C CB 1.254 28.944 27.740 -0.084 0.000 1.812 271 C HN 0.777 nan 8.230 nan 0.000 0.454 272 D N -0.122 120.220 120.400 -0.096 0.000 2.338 272 D HA 0.187 4.827 4.640 -0.000 0.000 0.208 272 D C 0.062 176.288 176.300 -0.124 0.000 0.997 272 D CA 1.162 55.100 54.000 -0.104 0.000 0.880 272 D CB 0.916 41.649 40.800 -0.112 0.000 0.980 272 D HN 0.424 nan 8.370 nan 0.000 0.509 273 V N 1.588 121.417 119.914 -0.142 0.000 2.808 273 V HA 0.287 4.407 4.120 -0.000 0.000 0.308 273 V C -1.106 174.907 176.094 -0.135 0.000 1.099 273 V CA -0.926 61.279 62.300 -0.158 0.000 0.920 273 V CB 2.972 34.654 31.823 -0.236 0.000 1.014 273 V HN -0.078 nan 8.190 nan 0.000 0.425 274 L N 5.496 126.650 121.223 -0.114 0.000 2.313 274 L HA 0.748 5.088 4.340 -0.000 0.000 0.283 274 L C -1.030 175.792 176.870 -0.081 0.000 1.013 274 L CA -0.390 54.391 54.840 -0.097 0.000 0.816 274 L CB 1.493 43.493 42.059 -0.098 0.000 1.236 274 L HN 0.644 nan 8.230 nan 0.000 0.419 275 L N 6.809 127.998 121.223 -0.057 0.000 2.298 275 L HA 0.579 4.919 4.340 -0.000 0.000 0.284 275 L C -1.129 175.744 176.870 0.005 0.000 1.013 275 L CA -0.302 54.528 54.840 -0.017 0.000 0.824 275 L CB 1.554 43.620 42.059 0.012 0.000 1.221 275 L HN 0.374 nan 8.230 nan 0.000 0.418 276 V N 5.091 125.014 119.914 0.015 0.000 2.364 276 V HA 0.340 4.460 4.120 -0.000 0.000 0.272 276 V C 0.030 176.177 176.094 0.088 0.000 1.036 276 V CA -0.325 62.001 62.300 0.044 0.000 0.880 276 V CB 0.745 32.597 31.823 0.047 0.000 0.991 276 V HN 0.990 nan 8.190 nan 0.000 0.460 277 C N 4.094 123.462 119.300 0.114 0.000 3.493 277 C HA 0.512 4.972 4.460 -0.000 0.000 0.228 277 C C 0.586 175.657 174.990 0.135 0.000 1.227 277 C CA -0.831 58.259 59.018 0.121 0.000 1.291 277 C CB -1.193 26.620 27.740 0.122 0.000 1.820 277 C HN 0.861 nan 8.230 nan 0.000 0.547 278 I N 0.059 120.714 120.570 0.143 0.000 3.874 278 I HA 0.683 4.853 4.170 -0.000 0.000 0.331 278 I C 0.745 176.915 176.117 0.088 0.000 1.489 278 I CA 0.549 61.927 61.300 0.131 0.000 1.187 278 I CB -0.307 37.789 38.000 0.161 0.000 1.150 278 I HN 0.947 nan 8.210 nan 0.000 0.412 279 G N 1.297 110.150 108.800 0.088 0.000 2.462 279 G HA2 0.003 3.963 3.960 -0.000 0.000 0.685 279 G HA3 0.003 3.963 3.960 -0.000 0.000 0.685 279 G C -1.031 173.908 174.900 0.065 0.000 1.295 279 G CA -1.060 44.082 45.100 0.070 0.000 0.941 279 G HN 0.430 nan 8.290 nan 0.000 0.554 280 R N -0.571 119.962 120.500 0.055 0.000 2.867 280 R HA 0.806 5.146 4.340 -0.000 0.000 0.268 280 R C 0.152 176.481 176.300 0.048 0.000 1.014 280 R CA -0.966 55.167 56.100 0.055 0.000 0.946 280 R CB 2.184 32.515 30.300 0.052 0.000 1.208 280 R HN 0.920 nan 8.270 nan 0.000 0.477 281 R N 0.279 120.816 120.500 0.061 0.000 2.771 281 R HA 0.532 4.872 4.340 -0.000 0.000 0.274 281 R C -2.885 173.465 176.300 0.082 0.000 0.987 281 R CA -2.210 53.924 56.100 0.056 0.000 0.908 281 R CB 1.789 32.116 30.300 0.045 0.000 1.213 281 R HN 0.299 nan 8.270 nan 0.000 0.468 282 P HA -0.057 nan 4.420 nan 0.000 0.265 282 P C -1.166 176.212 177.300 0.130 0.000 1.193 282 P CA 0.166 63.317 63.100 0.086 0.000 0.765 282 P CB 0.322 32.050 31.700 0.046 0.000 0.823 283 F N 4.164 124.121 119.950 0.013 0.000 2.385 283 F HA 0.353 4.880 4.527 -0.000 0.000 0.360 283 F C 0.674 176.487 175.800 0.021 0.000 1.122 283 F CA 0.034 58.047 58.000 0.022 0.000 1.090 283 F CB 1.084 40.097 39.000 0.022 0.000 1.150 283 F HN 0.318 nan 8.300 nan 0.000 0.472 284 T N 1.138 115.490 114.554 -0.337 0.000 3.332 284 T HA 0.160 4.510 4.350 -0.000 0.000 0.304 284 T C -0.034 174.497 174.700 -0.282 0.000 0.971 284 T CA -0.669 61.313 62.100 -0.197 0.000 0.954 284 T CB -0.450 68.368 68.868 -0.083 0.000 1.175 284 T HN 0.575 nan 8.240 nan 0.000 0.519 285 K N 1.807 121.850 120.400 -0.594 0.000 2.326 285 K HA 0.327 4.647 4.320 -0.000 0.000 0.275 285 K C -0.042 176.546 176.600 -0.020 0.000 1.018 285 K CA -0.260 55.844 56.287 -0.305 0.000 0.962 285 K CB 0.091 32.378 32.500 -0.354 0.000 0.953 285 K HN -0.064 nan 8.250 nan 0.000 0.475 286 N N 0.741 119.451 118.700 0.018 0.000 2.725 286 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 286 N C -0.098 175.539 175.510 0.211 0.000 1.103 286 N CA 0.991 54.099 53.050 0.098 0.000 0.707 286 N CB -1.048 37.467 38.487 0.046 0.000 1.043 286 N HN 0.683 nan 8.380 nan 0.000 0.553 287 L N -1.037 120.259 121.223 0.121 0.000 2.463 287 L HA 0.344 4.684 4.340 -0.000 0.000 0.219 287 L C 1.572 178.483 176.870 0.068 0.000 1.088 287 L CA 1.905 56.808 54.840 0.105 0.000 0.849 287 L CB -0.004 42.087 42.059 0.053 0.000 1.012 287 L HN 0.451 nan 8.230 nan 0.000 0.468 288 G N -1.196 107.631 108.800 0.045 0.000 2.148 288 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.203 288 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.203 288 G C 0.884 175.792 174.900 0.014 0.000 0.993 288 G CA 0.382 45.499 45.100 0.029 0.000 0.661 288 G HN 0.316 nan 8.290 nan 0.000 0.518 289 L N -0.000 121.228 121.223 0.008 0.000 2.093 289 L HA 0.046 4.385 4.340 -0.000 0.000 0.208 289 L C 2.571 179.438 176.870 -0.005 0.000 1.085 289 L CA 1.883 56.724 54.840 0.000 0.000 0.755 289 L CB -0.329 41.727 42.059 -0.004 0.000 0.904 289 L HN 0.486 nan 8.230 nan 0.000 0.435 290 E N 0.590 120.786 120.200 -0.008 0.000 2.051 290 E HA -0.299 4.051 4.350 -0.000 0.000 0.192 290 E C 2.011 178.607 176.600 -0.006 0.000 0.991 290 E CA 1.567 57.961 56.400 -0.010 0.000 0.799 290 E CB 0.137 29.830 29.700 -0.013 0.000 0.748 290 E HN 0.341 nan 8.360 nan 0.000 0.449 291 E N 0.746 120.944 120.200 -0.003 0.000 2.012 291 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 291 E C 2.043 178.642 176.600 -0.001 0.000 1.007 291 E CA 1.357 57.757 56.400 -0.001 0.000 0.816 291 E CB -0.624 29.078 29.700 0.004 0.000 0.762 291 E HN 0.302 nan 8.360 nan 0.000 0.451 292 L N -0.625 120.598 121.223 0.000 0.000 2.263 292 L HA -0.014 4.326 4.340 -0.000 0.000 0.216 292 L C 1.594 178.460 176.870 -0.007 0.000 1.111 292 L CA 2.219 57.058 54.840 -0.002 0.000 0.773 292 L CB -0.393 41.666 42.059 0.000 0.000 0.906 292 L HN 0.485 nan 8.230 nan 0.000 0.439 293 G N -1.806 106.990 108.800 -0.007 0.000 2.179 293 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 293 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 293 G C 0.261 175.153 174.900 -0.012 0.000 0.990 293 G CA 0.027 45.121 45.100 -0.010 0.000 0.646 293 G HN 0.191 nan 8.290 nan 0.000 0.517 294 I N 2.146 122.710 120.570 -0.011 0.000 2.421 294 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 294 I C 0.595 176.705 176.117 -0.011 0.000 1.089 294 I CA -0.092 61.202 61.300 -0.011 0.000 1.354 294 I CB 0.209 38.205 38.000 -0.007 0.000 1.413 294 I HN 0.204 nan 8.210 nan 0.000 0.513 295 E N 6.171 126.364 120.200 -0.012 0.000 2.227 295 E HA 0.411 4.761 4.350 -0.000 0.000 0.282 295 E C -0.447 176.147 176.600 -0.010 0.000 1.015 295 E CA -0.591 55.802 56.400 -0.012 0.000 0.823 295 E CB 1.558 31.251 29.700 -0.012 0.000 1.081 295 E HN 0.438 nan 8.360 nan 0.000 0.396 296 L N 2.756 123.972 121.223 -0.012 0.000 2.456 296 L HA 0.158 4.498 4.340 -0.000 0.000 0.257 296 L C 0.627 177.491 176.870 -0.010 0.000 1.162 296 L CA -0.721 54.113 54.840 -0.010 0.000 0.808 296 L CB 0.329 42.378 42.059 -0.015 0.000 1.136 296 L HN 0.616 nan 8.230 nan 0.000 0.466 297 D N 0.960 121.355 120.400 -0.007 0.000 2.411 297 D HA 0.128 4.768 4.640 -0.000 0.000 0.251 297 D C -1.836 174.458 176.300 -0.011 0.000 1.201 297 D CA -1.896 52.099 54.000 -0.008 0.000 0.996 297 D CB -0.020 40.777 40.800 -0.005 0.000 1.101 297 D HN 0.225 nan 8.370 nan 0.000 0.504 298 P HA -0.176 nan 4.420 nan 0.000 0.217 298 P C 0.771 178.061 177.300 -0.016 0.000 1.148 298 P CA 1.209 64.300 63.100 -0.014 0.000 0.828 298 P CB 0.143 31.834 31.700 -0.014 0.000 0.783 299 R N -1.212 119.280 120.500 -0.013 0.000 2.320 299 R HA 0.262 4.602 4.340 -0.000 0.000 0.211 299 R C 1.456 177.750 176.300 -0.010 0.000 0.931 299 R CA 0.586 56.679 56.100 -0.013 0.000 1.071 299 R CB -0.375 29.919 30.300 -0.011 0.000 1.025 299 R HN 0.230 nan 8.270 nan 0.000 0.495 300 G N 1.208 110.001 108.800 -0.012 0.000 2.176 300 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.253 300 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.253 300 G C -0.033 174.864 174.900 -0.004 0.000 0.979 300 G CA -0.163 44.930 45.100 -0.012 0.000 0.641 300 G HN 0.222 nan 8.290 nan 0.000 0.530 301 R N -0.191 120.309 120.500 0.001 0.000 2.531 301 R HA 0.681 5.021 4.340 -0.000 0.000 0.273 301 R C 0.802 177.110 176.300 0.012 0.000 1.070 301 R CA -0.479 55.627 56.100 0.010 0.000 1.112 301 R CB 0.651 30.957 30.300 0.010 0.000 1.049 301 R HN 0.282 nan 8.270 nan 0.000 0.508 302 I N 4.150 124.734 120.570 0.025 0.000 2.337 302 I HA 0.201 4.371 4.170 -0.000 0.000 0.291 302 I C -1.920 174.217 176.117 0.033 0.000 1.046 302 I CA -2.044 59.272 61.300 0.027 0.000 1.324 302 I CB 1.084 39.107 38.000 0.039 0.000 1.409 302 I HN 0.262 nan 8.210 nan 0.000 0.494 303 P HA 0.150 nan 4.420 nan 0.000 0.271 303 P C -0.858 176.451 177.300 0.014 0.000 1.216 303 P CA -0.099 63.008 63.100 0.012 0.000 0.776 303 P CB 0.866 32.565 31.700 -0.002 0.000 0.881 304 V N -0.565 119.355 119.914 0.010 0.000 3.147 304 V HA 0.675 4.795 4.120 -0.000 0.000 0.306 304 V C -0.656 175.397 176.094 -0.068 0.000 1.209 304 V CA -1.142 61.155 62.300 -0.005 0.000 1.023 304 V CB 2.016 33.885 31.823 0.077 0.000 1.059 304 V HN 0.574 nan 8.190 nan 0.000 0.435 305 N N 0.196 118.836 118.700 -0.099 0.000 2.495 305 N HA 0.318 5.058 4.740 -0.000 0.000 0.294 305 N C 1.179 176.539 175.510 -0.250 0.000 1.276 305 N CA 0.225 53.200 53.050 -0.126 0.000 0.973 305 N CB -0.133 38.303 38.487 -0.085 0.000 1.143 305 N HN 1.011 nan 8.380 nan 0.000 0.589 306 T N -3.243 111.187 114.554 -0.206 0.000 2.996 306 T HA -0.098 4.252 4.350 -0.000 0.000 0.271 306 T C 1.037 175.549 174.700 -0.314 0.000 1.126 306 T CA 0.981 62.917 62.100 -0.273 0.000 1.103 306 T CB -0.349 68.454 68.868 -0.109 0.000 0.870 306 T HN 0.517 nan 8.240 nan 0.000 0.528 307 R N -0.472 119.931 120.500 -0.162 0.000 2.393 307 R HA 0.376 4.716 4.340 -0.000 0.000 0.244 307 R C -0.255 176.221 176.300 0.294 0.000 0.920 307 R CA -0.272 55.873 56.100 0.075 0.000 1.076 307 R CB -0.064 30.326 30.300 0.150 0.000 1.119 307 R HN 0.350 nan 8.270 nan 0.000 0.524 308 F N 1.207 121.254 119.950 0.161 0.000 3.018 308 F HA -0.291 4.236 4.527 -0.000 0.000 0.287 308 F C 0.188 176.118 175.800 0.217 0.000 0.813 308 F CA 0.789 58.902 58.000 0.188 0.000 1.209 308 F CB -1.973 37.140 39.000 0.188 0.000 1.321 308 F HN 0.222 nan 8.300 nan 0.000 0.477 309 Q N 0.010 119.865 119.800 0.092 0.000 2.245 309 Q HA 0.644 4.984 4.340 -0.000 0.000 0.256 309 Q C 0.651 176.560 176.000 -0.152 0.000 0.942 309 Q CA -0.193 55.439 55.803 -0.285 0.000 0.896 309 Q CB 2.408 30.765 28.738 -0.636 0.000 1.272 309 Q HN 0.292 nan 8.270 nan 0.000 0.442 310 T N -0.279 114.183 114.554 -0.152 0.000 3.092 310 T HA 0.130 4.480 4.350 -0.000 0.000 0.374 310 T C 1.143 175.786 174.700 -0.094 0.000 1.190 310 T CA -0.323 61.729 62.100 -0.081 0.000 1.021 310 T CB 0.298 69.134 68.868 -0.053 0.000 1.556 310 T HN 0.541 nan 8.240 nan 0.000 0.540 311 K N -0.300 120.062 120.400 -0.064 0.000 2.026 311 K HA 0.045 4.365 4.320 -0.000 0.000 0.208 311 K C 0.808 177.365 176.600 -0.071 0.000 1.048 311 K CA 0.742 56.995 56.287 -0.057 0.000 0.929 311 K CB -0.716 31.762 32.500 -0.038 0.000 0.713 311 K HN 0.469 nan 8.250 nan 0.000 0.439 312 I N 3.658 124.182 120.570 -0.077 0.000 2.421 312 I HA -0.007 4.163 4.170 -0.000 0.000 0.291 312 I C -1.347 174.683 176.117 -0.145 0.000 1.089 312 I CA -1.871 59.379 61.300 -0.083 0.000 1.354 312 I CB 0.836 38.799 38.000 -0.061 0.000 1.413 312 I HN 0.017 nan 8.210 nan 0.000 0.513 313 P HA -0.217 nan 4.420 nan 0.000 0.219 313 P C 0.480 177.615 177.300 -0.275 0.000 1.144 313 P CA 1.502 64.488 63.100 -0.190 0.000 0.806 313 P CB 0.070 31.711 31.700 -0.098 0.000 0.771 314 N N -0.734 117.860 118.700 -0.177 0.000 2.203 314 N HA 0.075 4.815 4.740 -0.000 0.000 0.207 314 N C 0.180 175.659 175.510 -0.050 0.000 1.130 314 N CA -0.209 52.793 53.050 -0.080 0.000 0.861 314 N CB 0.112 38.608 38.487 0.015 0.000 1.005 314 N HN 0.202 nan 8.380 nan 0.000 0.507 315 I N 1.637 122.092 120.570 -0.191 0.000 2.389 315 I HA 0.326 4.496 4.170 -0.000 0.000 0.288 315 I C -0.937 175.099 176.117 -0.135 0.000 0.999 315 I CA -0.846 60.426 61.300 -0.047 0.000 1.129 315 I CB 0.816 38.800 38.000 -0.028 0.000 1.288 315 I HN -0.150 nan 8.210 nan 0.000 0.444 316 Y N 4.325 124.632 120.300 0.012 0.000 2.621 316 Y HA 0.826 5.376 4.550 -0.000 0.000 0.334 316 Y C 0.219 176.146 175.900 0.044 0.000 1.074 316 Y CA -1.167 56.961 58.100 0.046 0.000 1.149 316 Y CB 1.776 40.268 38.460 0.052 0.000 1.302 316 Y HN 0.530 nan 8.280 nan 0.000 0.501 317 A N 1.810 124.789 122.820 0.264 0.000 2.488 317 A HA 0.851 5.171 4.320 -0.000 0.000 0.298 317 A C -1.222 176.464 177.584 0.170 0.000 1.044 317 A CA -0.565 51.570 52.037 0.163 0.000 0.693 317 A CB 0.858 19.934 19.000 0.126 0.000 1.272 317 A HN 0.769 nan 8.150 nan 0.000 0.402 318 I N -0.973 119.625 120.570 0.046 0.000 3.191 318 I HA 0.960 5.130 4.170 -0.000 0.000 0.313 318 I C 0.565 176.653 176.117 -0.049 0.000 1.193 318 I CA -0.327 60.928 61.300 -0.075 0.000 0.968 318 I CB 1.903 39.747 38.000 -0.261 0.000 1.262 318 I HN 1.973 nan 8.210 nan 0.000 0.456 319 G N 2.277 111.029 108.800 -0.081 0.000 2.525 319 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.248 319 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.248 319 G C 0.052 174.937 174.900 -0.025 0.000 1.238 319 G CA 0.654 45.721 45.100 -0.056 0.000 0.926 319 G HN 0.839 nan 8.290 nan 0.000 0.574 320 D N -0.518 119.870 120.400 -0.019 0.000 2.265 320 D HA 0.005 4.645 4.640 -0.000 0.000 0.208 320 D C 2.349 178.661 176.300 0.019 0.000 0.977 320 D CA 1.207 55.205 54.000 -0.004 0.000 0.871 320 D CB -0.056 40.747 40.800 0.006 0.000 0.925 320 D HN 0.432 nan 8.370 nan 0.000 0.485 321 V N -0.135 119.798 119.914 0.032 0.000 3.380 321 V HA -0.023 4.097 4.120 -0.000 0.000 0.268 321 V C 0.598 176.719 176.094 0.044 0.000 1.168 321 V CA 0.439 62.768 62.300 0.048 0.000 1.156 321 V CB 0.181 32.039 31.823 0.059 0.000 0.785 321 V HN -0.144 nan 8.190 nan 0.000 0.487 322 V N -0.719 119.221 119.914 0.043 0.000 3.158 322 V HA 0.756 4.876 4.120 -0.000 0.000 0.315 322 V C 0.506 176.609 176.094 0.015 0.000 1.148 322 V CA -0.687 61.648 62.300 0.058 0.000 1.042 322 V CB 1.469 33.374 31.823 0.138 0.000 1.101 322 V HN 0.242 nan 8.190 nan 0.000 0.448 323 A N 0.361 123.186 122.820 0.007 0.000 2.429 323 A HA 0.649 4.968 4.320 -0.000 0.000 0.242 323 A C 0.751 178.223 177.584 -0.187 0.000 1.088 323 A CA 0.804 52.805 52.037 -0.059 0.000 0.784 323 A CB -0.525 18.452 19.000 -0.037 0.000 1.038 323 A HN 2.470 nan 8.150 nan 0.000 0.501 324 G N -0.378 108.251 108.800 -0.284 0.000 2.603 324 G HA2 0.115 4.075 3.960 -0.000 0.000 0.686 324 G HA3 0.115 4.075 3.960 -0.000 0.000 0.686 324 G C -2.827 171.880 174.900 -0.322 0.000 1.286 324 G CA -0.401 44.366 45.100 -0.555 0.000 0.871 324 G HN 1.047 nan 8.290 nan 0.000 0.568 325 P HA 0.241 nan 4.420 nan 0.000 0.264 325 P C 0.155 177.370 177.300 -0.141 0.000 1.193 325 P CA 0.158 63.169 63.100 -0.148 0.000 0.763 325 P CB 0.373 32.007 31.700 -0.110 0.000 0.810 326 M N 4.135 123.683 119.600 -0.088 0.000 3.213 326 M HA 0.231 4.711 4.480 -0.000 0.000 0.275 326 M C -0.118 176.133 176.300 -0.082 0.000 1.424 326 M CA 0.313 55.571 55.300 -0.070 0.000 1.561 326 M CB -0.512 32.071 32.600 -0.028 0.000 1.109 326 M HN 0.236 nan 8.290 nan 0.000 0.552 327 L N -0.334 120.799 121.223 -0.150 0.000 2.354 327 L HA 0.629 4.969 4.340 -0.000 0.000 0.264 327 L C 1.031 177.764 176.870 -0.227 0.000 1.008 327 L CA -0.568 54.141 54.840 -0.219 0.000 0.819 327 L CB 1.932 43.725 42.059 -0.443 0.000 1.339 327 L HN 0.524 nan 8.230 nan 0.000 0.420 328 A N 0.410 123.146 122.820 -0.141 0.000 1.873 328 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 328 A C 1.970 179.518 177.584 -0.061 0.000 1.186 328 A CA 1.599 53.603 52.037 -0.055 0.000 0.616 328 A CB -0.791 18.233 19.000 0.039 0.000 0.823 328 A HN 0.935 nan 8.150 nan 0.000 0.442 329 H N -0.804 118.255 119.070 -0.020 0.000 2.457 329 H HA -0.045 4.511 4.556 -0.000 0.000 0.294 329 H C 1.690 177.001 175.328 -0.028 0.000 1.064 329 H CA 1.409 57.440 56.048 -0.029 0.000 1.330 329 H CB -0.344 29.402 29.762 -0.027 0.000 1.395 329 H HN 0.434 nan 8.280 nan 0.000 0.541 330 K N 1.924 122.147 120.400 -0.295 0.000 2.062 330 K HA 0.014 4.334 4.320 -0.000 0.000 0.205 330 K C 2.264 178.814 176.600 -0.084 0.000 1.051 330 K CA 1.151 57.361 56.287 -0.129 0.000 0.941 330 K CB -0.303 32.104 32.500 -0.156 0.000 0.719 330 K HN 0.302 nan 8.250 nan 0.000 0.440 331 A N 1.654 124.404 122.820 -0.115 0.000 1.898 331 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 331 A C 1.981 179.483 177.584 -0.137 0.000 1.181 331 A CA 1.525 53.494 52.037 -0.115 0.000 0.620 331 A CB -0.379 18.567 19.000 -0.091 0.000 0.819 331 A HN 0.513 nan 8.150 nan 0.000 0.442 332 E N -0.078 120.053 120.200 -0.115 0.000 2.051 332 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 332 E C 1.587 178.105 176.600 -0.136 0.000 0.991 332 E CA 1.334 57.649 56.400 -0.141 0.000 0.799 332 E CB -0.331 29.302 29.700 -0.112 0.000 0.748 332 E HN 0.564 nan 8.360 nan 0.000 0.449 333 D N 0.839 121.183 120.400 -0.094 0.000 2.123 333 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 333 D C 1.733 177.943 176.300 -0.150 0.000 0.992 333 D CA 1.102 55.049 54.000 -0.088 0.000 0.833 333 D CB -0.060 40.715 40.800 -0.042 0.000 0.954 333 D HN 0.232 nan 8.370 nan 0.000 0.455 334 E N -0.178 119.887 120.200 -0.225 0.000 2.106 334 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 334 E C 2.225 178.534 176.600 -0.485 0.000 0.984 334 E CA 0.893 56.992 56.400 -0.501 0.000 0.806 334 E CB -0.178 29.114 29.700 -0.680 0.000 0.750 334 E HN 0.316 nan 8.360 nan 0.000 0.458 335 G N 1.617 110.228 108.800 -0.315 0.000 2.433 335 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 335 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 335 G C 1.614 176.394 174.900 -0.200 0.000 1.186 335 G CA 0.568 45.517 45.100 -0.252 0.000 0.779 335 G HN 0.100 nan 8.290 nan 0.000 0.543 336 I N 1.582 122.055 120.570 -0.160 0.000 2.127 336 I HA -0.208 3.962 4.170 -0.000 0.000 0.241 336 I C 2.807 178.878 176.117 -0.077 0.000 1.075 336 I CA 1.642 62.879 61.300 -0.104 0.000 1.334 336 I CB -0.275 37.675 38.000 -0.083 0.000 1.040 336 I HN 0.366 nan 8.210 nan 0.000 0.405 337 I N -1.527 118.998 120.570 -0.075 0.000 2.439 337 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 337 I C 2.819 178.947 176.117 0.020 0.000 1.139 337 I CA 1.225 62.522 61.300 -0.005 0.000 1.438 337 I CB -0.816 37.212 38.000 0.047 0.000 1.085 337 I HN 0.348 nan 8.210 nan 0.000 0.427 338 C N 1.984 121.245 119.300 -0.066 0.000 2.436 338 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 338 C C 2.961 177.856 174.990 -0.158 0.000 1.241 338 C CA 1.396 60.384 59.018 -0.049 0.000 1.721 338 C CB -1.065 26.562 27.740 -0.189 0.000 2.043 338 C HN 0.610 nan 8.230 nan 0.000 0.472 339 V N -0.576 119.236 119.914 -0.170 0.000 2.809 339 V HA -0.046 4.074 4.120 -0.000 0.000 0.256 339 V C 2.129 178.238 176.094 0.025 0.000 1.080 339 V CA 2.244 64.457 62.300 -0.145 0.000 1.102 339 V CB -1.029 30.727 31.823 -0.112 0.000 0.705 339 V HN 0.648 nan 8.190 nan 0.000 0.475 340 E N 1.408 121.623 120.200 0.024 0.000 2.107 340 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 340 E C 2.294 178.939 176.600 0.074 0.000 0.982 340 E CA 1.115 57.551 56.400 0.059 0.000 0.809 340 E CB -0.473 29.248 29.700 0.035 0.000 0.756 340 E HN 0.720 nan 8.360 nan 0.000 0.459 341 G N 0.906 109.744 108.800 0.063 0.000 2.408 341 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 341 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 341 G C 1.535 176.492 174.900 0.096 0.000 1.150 341 G CA 0.410 45.564 45.100 0.091 0.000 0.776 341 G HN 0.099 nan 8.290 nan 0.000 0.542 342 M N 0.717 120.336 119.600 0.031 0.000 2.213 342 M HA 0.011 4.491 4.480 -0.000 0.000 0.263 342 M C 2.671 179.127 176.300 0.261 0.000 1.062 342 M CA 1.271 56.596 55.300 0.042 0.000 1.105 342 M CB 0.001 32.455 32.600 -0.243 0.000 1.385 342 M HN 0.305 nan 8.290 nan 0.000 0.417 343 A N -0.809 122.185 122.820 0.290 0.000 2.251 343 A HA 0.398 4.718 4.320 -0.000 0.000 0.209 343 A C 1.597 179.242 177.584 0.102 0.000 1.187 343 A CA 0.821 52.989 52.037 0.218 0.000 0.823 343 A CB -0.533 18.523 19.000 0.095 0.000 0.846 343 A HN 0.640 nan 8.150 nan 0.000 0.486 344 G N -1.875 106.987 108.800 0.105 0.000 2.238 344 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.217 344 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.217 344 G C 0.856 175.790 174.900 0.057 0.000 0.996 344 G CA 0.091 45.234 45.100 0.072 0.000 0.632 344 G HN 1.361 nan 8.290 nan 0.000 0.503 345 G N 0.571 109.404 108.800 0.056 0.000 2.684 345 G HA2 0.633 4.593 3.960 -0.000 0.000 0.255 345 G HA3 0.633 4.593 3.960 -0.000 0.000 0.255 345 G C 0.698 175.631 174.900 0.056 0.000 1.219 345 G CA 0.722 45.850 45.100 0.047 0.000 0.901 345 G HN 1.550 nan 8.290 nan 0.000 0.548 346 A N -1.153 121.696 122.820 0.049 0.000 2.332 346 A HA 0.554 4.874 4.320 -0.000 0.000 0.258 346 A C -0.263 177.371 177.584 0.083 0.000 1.087 346 A CA -0.227 51.843 52.037 0.056 0.000 0.802 346 A CB 0.893 19.916 19.000 0.039 0.000 1.042 346 A HN 0.978 nan 8.150 nan 0.000 0.489 347 V N 3.477 123.452 119.914 0.103 0.000 2.409 347 V HA 0.420 4.540 4.120 -0.000 0.000 0.290 347 V C -0.451 175.746 176.094 0.172 0.000 1.017 347 V CA -0.283 62.102 62.300 0.141 0.000 0.841 347 V CB 1.025 32.948 31.823 0.167 0.000 1.003 347 V HN 0.979 nan 8.190 nan 0.000 0.426 348 H N 5.469 124.562 119.070 0.038 0.000 2.966 348 H HA 0.628 5.184 4.556 -0.000 0.000 0.347 348 H C -1.996 173.315 175.328 -0.028 0.000 1.048 348 H CA -0.466 55.577 56.048 -0.009 0.000 1.295 348 H CB 2.425 32.170 29.762 -0.029 0.000 1.744 348 H HN 0.679 nan 8.280 nan 0.000 0.513 349 I N 4.083 124.238 120.570 -0.691 0.000 2.686 349 I HA 0.207 4.377 4.170 -0.000 0.000 0.295 349 I C -1.527 174.053 176.117 -0.895 0.000 1.114 349 I CA -0.637 60.271 61.300 -0.652 0.000 1.038 349 I CB 2.145 39.915 38.000 -0.384 0.000 1.238 349 I HN 0.570 nan 8.210 nan 0.000 0.420 350 D N 5.395 125.403 120.400 -0.655 0.000 2.461 350 D HA 0.243 4.883 4.640 -0.000 0.000 0.240 350 D C -0.015 176.100 176.300 -0.308 0.000 1.094 350 D CA -0.187 53.559 54.000 -0.423 0.000 0.868 350 D CB 0.693 41.380 40.800 -0.189 0.000 1.062 350 D HN 0.380 nan 8.370 nan 0.000 0.530 351 Y N 2.248 122.530 120.300 -0.030 0.000 2.569 351 Y HA -0.080 4.470 4.550 -0.000 0.000 0.293 351 Y C 2.058 177.965 175.900 0.012 0.000 1.144 351 Y CA 0.650 58.747 58.100 -0.005 0.000 1.321 351 Y CB -0.593 37.873 38.460 0.010 0.000 0.982 351 Y HN 0.431 nan 8.280 nan 0.000 0.558 352 N N -0.777 117.986 118.700 0.106 0.000 2.459 352 N HA -0.110 4.630 4.740 -0.000 0.000 0.181 352 N C 0.821 176.370 175.510 0.065 0.000 1.046 352 N CA 1.026 54.133 53.050 0.094 0.000 0.904 352 N CB -0.244 38.286 38.487 0.072 0.000 0.964 352 N HN 0.206 nan 8.380 nan 0.000 0.444 353 C N -0.030 119.289 119.300 0.031 0.000 2.855 353 C HA 0.402 4.862 4.460 -0.000 0.000 0.279 353 C C 0.209 175.208 174.990 0.015 0.000 1.270 353 C CA -0.726 58.298 59.018 0.010 0.000 1.702 353 C CB -0.936 26.791 27.740 -0.023 0.000 1.949 353 C HN 0.046 nan 8.230 nan 0.000 0.618 354 V N 4.799 124.745 119.914 0.054 0.000 2.385 354 V HA 0.256 4.376 4.120 -0.000 0.000 0.269 354 V C -1.647 174.471 176.094 0.040 0.000 1.043 354 V CA -0.883 61.469 62.300 0.086 0.000 0.906 354 V CB 0.820 32.726 31.823 0.137 0.000 0.995 354 V HN 0.300 nan 8.190 nan 0.000 0.467 355 P HA 0.366 nan 4.420 nan 0.000 0.278 355 P C -0.604 176.591 177.300 -0.175 0.000 1.266 355 P CA -0.459 62.557 63.100 -0.140 0.000 0.807 355 P CB 1.277 32.861 31.700 -0.193 0.000 1.094 356 S N -0.447 114.905 115.700 -0.579 0.000 2.513 356 S HA 0.582 5.052 4.470 -0.000 0.000 0.299 356 S C -0.579 173.560 174.600 -0.769 0.000 1.087 356 S CA -0.540 57.198 58.200 -0.769 0.000 1.012 356 S CB 1.196 63.463 63.200 -1.556 0.000 1.044 356 S HN 0.243 nan 8.310 nan 0.000 0.485 357 V N 3.523 123.140 119.914 -0.495 0.000 2.925 357 V HA 0.575 4.695 4.120 -0.000 0.000 0.311 357 V C -0.979 174.871 176.094 -0.406 0.000 1.104 357 V CA -0.633 61.355 62.300 -0.521 0.000 0.954 357 V CB 1.990 33.399 31.823 -0.690 0.000 1.022 357 V HN 0.806 nan 8.190 nan 0.000 0.427 358 I N 3.305 123.645 120.570 -0.382 0.000 2.418 358 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 358 I C -0.758 175.224 176.117 -0.224 0.000 1.008 358 I CA -0.440 60.779 61.300 -0.136 0.000 1.104 358 I CB 1.817 39.799 38.000 -0.030 0.000 1.264 358 I HN 0.643 nan 8.210 nan 0.000 0.438 359 Y N 4.002 124.320 120.300 0.030 0.000 2.627 359 Y HA 0.048 4.598 4.550 -0.000 0.000 0.339 359 Y C 1.684 177.617 175.900 0.055 0.000 1.137 359 Y CA -0.508 57.601 58.100 0.016 0.000 1.361 359 Y CB -0.540 37.919 38.460 -0.002 0.000 1.180 359 Y HN 0.539 nan 8.280 nan 0.000 0.512 360 T N -2.805 111.870 114.554 0.202 0.000 2.773 360 T HA 0.109 4.459 4.350 -0.000 0.000 0.337 360 T C -0.514 174.292 174.700 0.177 0.000 1.086 360 T CA -0.400 61.850 62.100 0.250 0.000 0.998 360 T CB 0.695 69.808 68.868 0.409 0.000 1.281 360 T HN 0.362 nan 8.240 nan 0.000 0.525 361 H N 1.334 120.483 119.070 0.132 0.000 3.078 361 H HA 0.430 4.986 4.556 -0.000 0.000 0.319 361 H C -2.695 172.725 175.328 0.153 0.000 0.995 361 H CA -1.732 54.346 56.048 0.050 0.000 1.417 361 H CB 1.226 30.958 29.762 -0.051 0.000 1.598 361 H HN 0.451 nan 8.280 nan 0.000 0.515 362 P HA 0.030 nan 4.420 nan 0.000 0.270 362 P C -0.430 176.784 177.300 -0.143 0.000 1.223 362 P CA -0.143 62.749 63.100 -0.346 0.000 0.785 362 P CB 1.602 33.195 31.700 -0.178 0.000 0.923 363 E N -0.113 119.949 120.200 -0.231 0.000 2.345 363 E HA 0.387 4.737 4.350 -0.000 0.000 0.259 363 E C -0.517 175.934 176.600 -0.249 0.000 1.117 363 E CA -0.832 55.445 56.400 -0.205 0.000 0.913 363 E CB 0.799 30.359 29.700 -0.234 0.000 1.057 363 E HN 0.191 nan 8.360 nan 0.000 0.432 364 V N 0.331 120.067 119.914 -0.297 0.000 2.789 364 V HA 0.768 4.888 4.120 -0.000 0.000 0.311 364 V C -0.778 175.247 176.094 -0.115 0.000 1.073 364 V CA -0.755 61.401 62.300 -0.240 0.000 0.921 364 V CB 1.673 33.215 31.823 -0.468 0.000 1.009 364 V HN 0.793 nan 8.190 nan 0.000 0.426 365 A N 3.492 126.344 122.820 0.052 0.000 2.589 365 A HA 0.976 5.296 4.320 -0.000 0.000 0.296 365 A C -1.791 175.921 177.584 0.213 0.000 1.062 365 A CA -0.584 51.436 52.037 -0.028 0.000 0.686 365 A CB 1.648 20.546 19.000 -0.171 0.000 1.282 365 A HN 1.750 nan 8.150 nan 0.000 0.404 366 W N 0.023 121.262 121.300 -0.102 0.000 3.066 366 W HA 0.748 5.408 4.660 -0.000 0.000 0.330 366 W C -2.079 174.363 176.519 -0.129 0.000 1.253 366 W CA -1.083 56.172 57.345 -0.149 0.000 1.187 366 W CB 1.046 30.462 29.460 -0.074 0.000 1.434 366 W HN 1.079 nan 8.180 nan 0.000 0.572 367 V N 2.669 122.598 119.914 0.024 0.000 3.048 367 V HA 0.830 4.950 4.120 -0.000 0.000 0.303 367 V C 0.278 176.396 176.094 0.040 0.000 1.214 367 V CA 0.474 62.777 62.300 0.006 0.000 0.984 367 V CB 1.355 33.150 31.823 -0.046 0.000 1.054 367 V HN 2.229 nan 8.190 nan 0.000 0.430 368 G N 5.261 114.116 108.800 0.092 0.000 2.527 368 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.227 368 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.227 368 G C -0.834 174.152 174.900 0.143 0.000 1.291 368 G CA -0.016 45.137 45.100 0.089 0.000 0.904 368 G HN 0.883 nan 8.290 nan 0.000 0.577 369 K N 0.714 121.184 120.400 0.117 0.000 2.098 369 K HA 0.645 4.965 4.320 -0.000 0.000 0.258 369 K C 0.788 177.504 176.600 0.192 0.000 0.973 369 K CA 0.143 56.499 56.287 0.115 0.000 0.898 369 K CB 1.566 34.082 32.500 0.027 0.000 1.057 369 K HN 1.069 nan 8.250 nan 0.000 0.447 370 S N -0.020 115.713 115.700 0.055 0.000 2.693 370 S HA 0.199 4.669 4.470 -0.000 0.000 0.276 370 S C 0.978 175.439 174.600 -0.232 0.000 1.192 370 S CA -0.599 57.506 58.200 -0.158 0.000 0.994 370 S CB 1.274 64.317 63.200 -0.263 0.000 1.012 370 S HN 0.551 nan 8.310 nan 0.000 0.550 371 E N 0.434 120.441 120.200 -0.320 0.000 2.153 371 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 371 E C 1.622 178.092 176.600 -0.215 0.000 0.988 371 E CA 1.306 57.508 56.400 -0.332 0.000 0.811 371 E CB -0.133 29.447 29.700 -0.200 0.000 0.746 371 E HN 0.682 nan 8.360 nan 0.000 0.466 372 E N 0.870 120.966 120.200 -0.173 0.000 2.077 372 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 372 E C 1.973 178.519 176.600 -0.089 0.000 0.989 372 E CA 1.027 57.359 56.400 -0.113 0.000 0.800 372 E CB -0.128 29.497 29.700 -0.126 0.000 0.746 372 E HN 0.262 nan 8.360 nan 0.000 0.452 373 Q N -0.111 119.628 119.800 -0.101 0.000 2.050 373 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 373 Q C 2.267 178.229 176.000 -0.063 0.000 0.980 373 Q CA 1.104 56.870 55.803 -0.061 0.000 0.840 373 Q CB -0.160 28.554 28.738 -0.039 0.000 0.898 373 Q HN 0.295 nan 8.270 nan 0.000 0.424 374 L N 0.438 121.580 121.223 -0.135 0.000 2.056 374 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 374 L C 2.307 179.174 176.870 -0.005 0.000 1.078 374 L CA 1.215 55.977 54.840 -0.130 0.000 0.749 374 L CB -0.356 41.450 42.059 -0.423 0.000 0.901 374 L HN 0.129 nan 8.230 nan 0.000 0.433 375 K N -0.063 120.344 120.400 0.012 0.000 2.057 375 K HA -0.234 4.086 4.320 -0.000 0.000 0.207 375 K C 2.058 178.686 176.600 0.047 0.000 1.049 375 K CA 1.463 57.806 56.287 0.094 0.000 0.931 375 K CB -0.086 32.466 32.500 0.085 0.000 0.714 375 K HN 0.085 nan 8.250 nan 0.000 0.440 376 E N 1.574 121.783 120.200 0.015 0.000 2.204 376 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 376 E C 0.935 177.547 176.600 0.020 0.000 0.990 376 E CA 1.439 57.846 56.400 0.013 0.000 0.821 376 E CB 0.100 29.800 29.700 0.000 0.000 0.750 376 E HN 0.300 nan 8.360 nan 0.000 0.477 377 E N -1.224 118.990 120.200 0.023 0.000 2.479 377 E HA 0.179 4.529 4.350 -0.000 0.000 0.193 377 E C 0.741 177.366 176.600 0.042 0.000 1.049 377 E CA 0.317 56.734 56.400 0.029 0.000 0.870 377 E CB 0.302 30.017 29.700 0.025 0.000 0.944 377 E HN 0.363 nan 8.360 nan 0.000 0.492 378 G N 1.893 110.726 108.800 0.054 0.000 2.176 378 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.252 378 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.252 378 G C 0.176 175.124 174.900 0.081 0.000 1.024 378 G CA -0.159 44.978 45.100 0.061 0.000 0.755 378 G HN 0.159 nan 8.290 nan 0.000 0.507 379 I N 0.509 121.147 120.570 0.114 0.000 2.496 379 I HA 0.294 4.464 4.170 -0.000 0.000 0.285 379 I C 0.724 176.975 176.117 0.223 0.000 1.080 379 I CA -0.776 60.611 61.300 0.145 0.000 1.404 379 I CB 1.216 39.298 38.000 0.137 0.000 1.403 379 I HN 0.356 nan 8.210 nan 0.000 0.539 380 E N 7.535 127.818 120.200 0.139 0.000 2.105 380 E HA 0.311 4.661 4.350 -0.000 0.000 0.285 380 E C -1.246 175.428 176.600 0.123 0.000 1.055 380 E CA -0.237 56.204 56.400 0.069 0.000 0.843 380 E CB 0.382 30.091 29.700 0.016 0.000 1.067 380 E HN 0.389 nan 8.360 nan 0.000 0.398 381 Y N 1.536 121.842 120.300 0.009 0.000 2.665 381 Y HA 0.665 5.215 4.550 -0.000 0.000 0.336 381 Y C -0.810 175.095 175.900 0.008 0.000 1.085 381 Y CA -1.440 56.668 58.100 0.013 0.000 1.096 381 Y CB 1.187 39.658 38.460 0.019 0.000 1.301 381 Y HN 0.171 nan 8.280 nan 0.000 0.493 382 K N 1.140 121.628 120.400 0.148 0.000 2.267 382 K HA 0.755 5.075 4.320 -0.000 0.000 0.246 382 K C -1.654 175.058 176.600 0.187 0.000 0.954 382 K CA -1.171 55.155 56.287 0.065 0.000 0.824 382 K CB 2.842 35.372 32.500 0.049 0.000 1.167 382 K HN 0.524 nan 8.250 nan 0.000 0.431 383 V N 0.779 120.764 119.914 0.118 0.000 2.604 383 V HA 0.606 4.726 4.120 -0.000 0.000 0.305 383 V C -0.052 176.093 176.094 0.085 0.000 1.043 383 V CA -0.852 61.531 62.300 0.139 0.000 0.888 383 V CB 1.867 33.775 31.823 0.141 0.000 0.995 383 V HN 0.950 nan 8.190 nan 0.000 0.429 384 G N 3.253 112.099 108.800 0.078 0.000 2.609 384 G HA2 0.718 4.678 3.960 -0.000 0.000 0.308 384 G HA3 0.718 4.678 3.960 -0.000 0.000 0.308 384 G C -1.081 173.858 174.900 0.065 0.000 1.369 384 G CA -0.646 44.492 45.100 0.065 0.000 0.958 384 G HN 0.609 nan 8.290 nan 0.000 0.499 385 K N 0.883 121.332 120.400 0.081 0.000 2.375 385 K HA 0.618 4.938 4.320 -0.000 0.000 0.249 385 K C -1.961 174.682 176.600 0.071 0.000 0.942 385 K CA -0.816 55.501 56.287 0.051 0.000 0.806 385 K CB 2.965 35.475 32.500 0.017 0.000 1.227 385 K HN 0.385 nan 8.250 nan 0.000 0.430 386 F N 4.088 123.926 119.950 -0.186 0.000 2.653 386 F HA 0.316 4.843 4.527 -0.000 0.000 0.327 386 F C -2.595 172.960 175.800 -0.408 0.000 1.195 386 F CA -1.952 55.877 58.000 -0.286 0.000 0.993 386 F CB 1.736 40.596 39.000 -0.233 0.000 1.259 386 F HN 0.308 nan 8.300 nan 0.000 0.478 387 P HA 0.135 nan 4.420 nan 0.000 0.279 387 P C 0.355 177.332 177.300 -0.538 0.000 1.239 387 P CA -0.002 62.679 63.100 -0.699 0.000 0.789 387 P CB 0.922 32.145 31.700 -0.794 0.000 0.933 388 F N 1.878 121.741 119.950 -0.145 0.000 2.604 388 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 388 F C 2.503 178.277 175.800 -0.044 0.000 1.131 388 F CA 1.273 59.266 58.000 -0.012 0.000 1.457 388 F CB -0.920 38.092 39.000 0.020 0.000 1.095 388 F HN 0.364 nan 8.300 nan 0.000 0.574 389 A N -0.327 122.504 122.820 0.017 0.000 2.070 389 A HA 0.070 4.390 4.320 -0.000 0.000 0.220 389 A C 2.166 179.746 177.584 -0.008 0.000 1.159 389 A CA 1.463 53.504 52.037 0.007 0.000 0.656 389 A CB -0.808 18.169 19.000 -0.037 0.000 0.800 389 A HN 0.232 nan 8.150 nan 0.000 0.453 390 A N -0.710 122.035 122.820 -0.126 0.000 2.387 390 A HA 0.192 4.512 4.320 -0.000 0.000 0.234 390 A C 0.686 178.410 177.584 0.233 0.000 1.253 390 A CA -0.280 51.743 52.037 -0.023 0.000 0.894 390 A CB -0.276 18.574 19.000 -0.249 0.000 0.963 390 A HN 0.490 nan 8.150 nan 0.000 0.508 391 N N 0.228 119.094 118.700 0.277 0.000 2.434 391 N HA 0.127 4.867 4.740 -0.000 0.000 0.272 391 N C 0.560 176.208 175.510 0.230 0.000 1.040 391 N CA 0.101 53.364 53.050 0.355 0.000 0.956 391 N CB 1.162 39.904 38.487 0.424 0.000 1.108 391 N HN 0.075 nan 8.380 nan 0.000 0.481 392 S N 3.385 119.196 115.700 0.185 0.000 2.365 392 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 392 S C 1.723 176.359 174.600 0.059 0.000 1.039 392 S CA 1.192 59.458 58.200 0.109 0.000 1.033 392 S CB -0.098 63.135 63.200 0.056 0.000 0.887 392 S HN 0.658 nan 8.310 nan 0.000 0.447 393 R N 0.590 121.116 120.500 0.044 0.000 2.090 393 R HA 0.031 4.371 4.340 -0.000 0.000 0.228 393 R C 2.381 178.725 176.300 0.074 0.000 1.110 393 R CA 1.064 57.186 56.100 0.036 0.000 0.973 393 R CB -0.358 29.958 30.300 0.026 0.000 0.869 393 R HN 0.383 nan 8.270 nan 0.000 0.440 394 A N 0.911 123.808 122.820 0.128 0.000 1.873 394 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 394 A C 2.011 179.655 177.584 0.100 0.000 1.186 394 A CA 1.568 53.674 52.037 0.115 0.000 0.616 394 A CB -0.344 18.785 19.000 0.214 0.000 0.823 394 A HN 0.168 nan 8.150 nan 0.000 0.442 395 K N -0.307 120.161 120.400 0.113 0.000 2.057 395 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 395 K C 1.961 178.603 176.600 0.070 0.000 1.050 395 K CA 2.158 58.500 56.287 0.092 0.000 0.935 395 K CB -0.840 31.719 32.500 0.098 0.000 0.715 395 K HN 0.430 nan 8.250 nan 0.000 0.439 396 T N 1.122 115.714 114.554 0.063 0.000 2.788 396 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 396 T C 1.239 175.964 174.700 0.041 0.000 1.044 396 T CA 1.442 63.569 62.100 0.046 0.000 1.139 396 T CB -0.280 68.608 68.868 0.033 0.000 0.867 396 T HN 0.235 nan 8.240 nan 0.000 0.454 397 N N 1.060 119.789 118.700 0.048 0.000 2.515 397 N HA 0.223 4.963 4.740 -0.000 0.000 0.185 397 N C 0.929 176.475 175.510 0.061 0.000 1.109 397 N CA 0.636 53.717 53.050 0.051 0.000 0.903 397 N CB -0.219 38.303 38.487 0.058 0.000 0.969 397 N HN 0.443 nan 8.380 nan 0.000 0.450 398 A N 1.038 123.894 122.820 0.061 0.000 2.687 398 A HA -0.205 4.114 4.320 -0.000 0.000 0.299 398 A C -0.245 177.387 177.584 0.080 0.000 1.497 398 A CA 1.043 53.119 52.037 0.065 0.000 0.751 398 A CB -1.884 17.148 19.000 0.054 0.000 1.048 398 A HN 0.325 nan 8.150 nan 0.000 0.464 399 D N -0.317 120.132 120.400 0.081 0.000 2.381 399 D HA 0.435 5.075 4.640 -0.000 0.000 0.245 399 D C 0.717 177.047 176.300 0.049 0.000 1.297 399 D CA 0.492 54.548 54.000 0.092 0.000 0.931 399 D CB 0.318 41.190 40.800 0.119 0.000 1.334 399 D HN 0.595 nan 8.370 nan 0.000 0.535 400 T N -1.051 113.543 114.554 0.066 0.000 3.132 400 T HA 0.236 4.586 4.350 -0.000 0.000 0.274 400 T C 0.261 175.017 174.700 0.093 0.000 1.011 400 T CA -0.572 61.579 62.100 0.086 0.000 0.899 400 T CB 0.095 69.020 68.868 0.095 0.000 1.089 400 T HN 0.033 nan 8.240 nan 0.000 0.543 401 D N 2.137 122.569 120.400 0.053 0.000 2.423 401 D HA 0.473 5.113 4.640 -0.000 0.000 0.238 401 D C 1.223 177.592 176.300 0.114 0.000 1.142 401 D CA 1.516 55.556 54.000 0.067 0.000 0.884 401 D CB 0.766 41.594 40.800 0.047 0.000 1.199 401 D HN 0.627 nan 8.370 nan 0.000 0.438 402 G N 0.149 109.029 108.800 0.134 0.000 2.660 402 G HA2 0.060 4.020 3.960 -0.000 0.000 0.215 402 G HA3 0.060 4.020 3.960 -0.000 0.000 0.215 402 G C -0.439 174.597 174.900 0.228 0.000 1.345 402 G CA 0.048 45.263 45.100 0.192 0.000 0.877 402 G HN 0.772 nan 8.290 nan 0.000 0.549 403 M N -3.257 116.470 119.600 0.211 0.000 2.949 403 M HA 0.772 5.252 4.480 -0.000 0.000 0.270 403 M C -1.182 175.118 176.300 -0.000 0.000 1.221 403 M CA -1.195 54.091 55.300 -0.023 0.000 0.818 403 M CB 1.816 34.365 32.600 -0.085 0.000 1.635 403 M HN 0.988 nan 8.290 nan 0.000 0.492 404 V N 1.510 121.356 119.914 -0.113 0.000 2.459 404 V HA 0.619 4.739 4.120 -0.000 0.000 0.295 404 V C -0.812 175.310 176.094 0.046 0.000 1.029 404 V CA -0.432 61.878 62.300 0.017 0.000 0.874 404 V CB 1.798 33.618 31.823 -0.006 0.000 0.985 404 V HN 0.791 nan 8.190 nan 0.000 0.438 405 K N 5.414 125.880 120.400 0.110 0.000 2.413 405 K HA 0.618 4.938 4.320 -0.000 0.000 0.257 405 K C -1.478 175.213 176.600 0.150 0.000 0.946 405 K CA -0.597 55.755 56.287 0.108 0.000 0.823 405 K CB 1.233 33.791 32.500 0.097 0.000 1.109 405 K HN 0.477 nan 8.250 nan 0.000 0.427 406 I N 5.865 126.490 120.570 0.092 0.000 2.404 406 I HA 0.331 4.501 4.170 -0.000 0.000 0.293 406 I C -0.468 175.711 176.117 0.103 0.000 0.992 406 I CA -0.862 60.483 61.300 0.075 0.000 1.149 406 I CB 1.512 39.493 38.000 -0.032 0.000 1.315 406 I HN 0.629 nan 8.210 nan 0.000 0.446 407 L N 5.416 126.709 121.223 0.117 0.000 2.287 407 L HA 0.703 5.043 4.340 -0.000 0.000 0.287 407 L C 0.411 177.345 176.870 0.106 0.000 1.022 407 L CA -0.437 54.473 54.840 0.117 0.000 0.814 407 L CB 1.790 43.864 42.059 0.026 0.000 1.217 407 L HN 0.686 nan 8.230 nan 0.000 0.420 408 G N 1.740 110.625 108.800 0.142 0.000 2.482 408 G HA2 0.439 4.399 3.960 -0.000 0.000 0.317 408 G HA3 0.439 4.399 3.960 -0.000 0.000 0.317 408 G C -1.277 173.707 174.900 0.140 0.000 1.241 408 G CA -0.463 44.703 45.100 0.110 0.000 0.967 408 G HN 0.528 nan 8.290 nan 0.000 0.482 409 Q N 0.461 120.325 119.800 0.106 0.000 2.297 409 Q HA 0.176 4.516 4.340 -0.000 0.000 0.267 409 Q C 1.531 177.579 176.000 0.080 0.000 1.006 409 Q CA -0.225 55.642 55.803 0.106 0.000 0.896 409 Q CB 1.067 29.852 28.738 0.079 0.000 1.186 409 Q HN 0.566 nan 8.270 nan 0.000 0.392 410 K N 1.830 122.274 120.400 0.074 0.000 2.032 410 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 410 K C 1.779 178.396 176.600 0.027 0.000 1.048 410 K CA 2.295 58.603 56.287 0.035 0.000 0.927 410 K CB -0.165 32.340 32.500 0.008 0.000 0.712 410 K HN 0.725 nan 8.250 nan 0.000 0.441 411 S N -1.273 114.446 115.700 0.031 0.000 2.368 411 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 411 S C 1.892 176.509 174.600 0.028 0.000 1.029 411 S CA 1.490 59.705 58.200 0.025 0.000 0.988 411 S CB -0.703 62.513 63.200 0.026 0.000 0.838 411 S HN 0.530 nan 8.310 nan 0.000 0.462 412 T N -3.365 111.211 114.554 0.035 0.000 3.040 412 T HA 0.292 4.641 4.350 -0.000 0.000 0.266 412 T C 0.405 175.128 174.700 0.039 0.000 1.005 412 T CA 0.555 62.676 62.100 0.035 0.000 0.906 412 T CB -0.051 68.839 68.868 0.038 0.000 1.082 412 T HN 0.284 nan 8.240 nan 0.000 0.531 413 D N 1.009 121.435 120.400 0.043 0.000 3.046 413 D HA -0.205 4.435 4.640 -0.000 0.000 0.210 413 D C 0.250 176.579 176.300 0.048 0.000 1.124 413 D CA 0.826 54.853 54.000 0.044 0.000 0.986 413 D CB -1.308 39.515 40.800 0.039 0.000 1.118 413 D HN 0.724 nan 8.370 nan 0.000 0.416 414 R N -0.023 120.508 120.500 0.053 0.000 2.570 414 R HA 0.270 4.610 4.340 -0.000 0.000 0.277 414 R C -0.218 176.120 176.300 0.062 0.000 1.039 414 R CA -0.204 55.931 56.100 0.058 0.000 1.065 414 R CB 0.580 30.915 30.300 0.058 0.000 0.964 414 R HN -0.006 nan 8.270 nan 0.000 0.428 415 V N 7.688 127.641 119.914 0.064 0.000 2.450 415 V HA -0.040 4.080 4.120 -0.000 0.000 0.281 415 V C 1.237 177.372 176.094 0.069 0.000 1.019 415 V CA 0.421 62.761 62.300 0.066 0.000 1.062 415 V CB 0.757 32.628 31.823 0.080 0.000 0.979 415 V HN 0.815 nan 8.190 nan 0.000 0.477 416 L N 4.103 125.365 121.223 0.065 0.000 2.515 416 L HA 0.473 4.813 4.340 -0.000 0.000 0.223 416 L C 1.042 177.944 176.870 0.054 0.000 1.079 416 L CA 0.623 55.496 54.840 0.055 0.000 0.857 416 L CB 0.266 42.350 42.059 0.041 0.000 1.050 416 L HN 0.779 nan 8.230 nan 0.000 0.476 417 G N -0.022 108.813 108.800 0.060 0.000 2.768 417 G HA2 0.649 4.609 3.960 -0.000 0.000 0.297 417 G HA3 0.649 4.609 3.960 -0.000 0.000 0.297 417 G C -1.855 173.041 174.900 -0.007 0.000 1.430 417 G CA -0.088 45.035 45.100 0.037 0.000 1.030 417 G HN -0.016 nan 8.290 nan 0.000 0.553 418 A N 2.339 125.056 122.820 -0.172 0.000 2.343 418 A HA 0.862 5.182 4.320 -0.000 0.000 0.308 418 A C -0.929 176.441 177.584 -0.356 0.000 1.092 418 A CA -0.724 51.279 52.037 -0.058 0.000 0.751 418 A CB 1.089 20.211 19.000 0.202 0.000 1.203 418 A HN 0.746 nan 8.150 nan 0.000 0.452 419 H N 2.226 121.403 119.070 0.179 0.000 2.744 419 H HA 0.492 5.048 4.556 -0.000 0.000 0.339 419 H C -1.436 173.978 175.328 0.144 0.000 1.004 419 H CA -0.269 55.873 56.048 0.157 0.000 1.257 419 H CB 1.677 31.464 29.762 0.042 0.000 1.552 419 H HN 0.545 nan 8.280 nan 0.000 0.522 420 I N 3.784 124.495 120.570 0.234 0.000 2.466 420 I HA 0.155 4.325 4.170 -0.000 0.000 0.289 420 I C -0.804 175.402 176.117 0.149 0.000 1.026 420 I CA -0.723 60.703 61.300 0.209 0.000 1.078 420 I CB 2.333 40.452 38.000 0.198 0.000 1.249 420 I HN 0.223 nan 8.210 nan 0.000 0.429 421 L N 6.680 128.007 121.223 0.174 0.000 2.372 421 L HA 0.991 5.331 4.340 -0.000 0.000 0.273 421 L C -0.122 176.841 176.870 0.155 0.000 0.989 421 L CA 0.365 55.252 54.840 0.079 0.000 0.841 421 L CB 0.916 43.015 42.059 0.066 0.000 1.225 421 L HN 0.805 nan 8.230 nan 0.000 0.414 422 G N 4.306 113.084 108.800 -0.036 0.000 2.362 422 G HA2 0.154 4.114 3.960 -0.000 0.000 0.288 422 G HA3 0.154 4.114 3.960 -0.000 0.000 0.288 422 G C -3.375 171.230 174.900 -0.493 0.000 1.305 422 G CA -0.565 44.370 45.100 -0.275 0.000 0.910 422 G HN 0.481 nan 8.290 nan 0.000 0.518 423 P HA 0.342 nan 4.420 nan 0.000 0.268 423 P C 1.050 178.112 177.300 -0.396 0.000 1.205 423 P CA 1.755 64.548 63.100 -0.510 0.000 0.771 423 P CB 0.880 32.317 31.700 -0.438 0.000 0.858 424 G N 2.520 111.200 108.800 -0.201 0.000 2.187 424 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.261 424 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.261 424 G C 1.127 175.974 174.900 -0.088 0.000 1.000 424 G CA 0.542 45.579 45.100 -0.106 0.000 0.718 424 G HN 0.724 nan 8.290 nan 0.000 0.519 425 A N -0.029 122.720 122.820 -0.119 0.000 1.908 425 A HA 0.207 4.527 4.320 -0.000 0.000 0.218 425 A C 2.832 180.328 177.584 -0.146 0.000 1.181 425 A CA 2.258 54.243 52.037 -0.085 0.000 0.627 425 A CB -0.987 17.956 19.000 -0.096 0.000 0.818 425 A HN 1.609 nan 8.150 nan 0.000 0.445 426 G N -0.740 107.935 108.800 -0.209 0.000 2.442 426 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 426 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 426 G C 1.422 176.232 174.900 -0.150 0.000 1.141 426 G CA 1.081 46.029 45.100 -0.253 0.000 0.763 426 G HN 0.505 nan 8.290 nan 0.000 0.554 427 E N -0.268 119.873 120.200 -0.098 0.000 2.122 427 E HA 0.057 4.407 4.350 -0.000 0.000 0.190 427 E C 2.354 178.885 176.600 -0.114 0.000 0.977 427 E CA 0.215 56.567 56.400 -0.080 0.000 0.820 427 E CB -0.402 29.273 29.700 -0.041 0.000 0.770 427 E HN 0.471 nan 8.360 nan 0.000 0.462 428 M N 0.779 120.308 119.600 -0.117 0.000 2.213 428 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 428 M C 2.149 178.265 176.300 -0.307 0.000 1.062 428 M CA 0.939 56.132 55.300 -0.179 0.000 1.105 428 M CB 0.036 32.583 32.600 -0.090 0.000 1.385 428 M HN -0.046 nan 8.290 nan 0.000 0.417 429 V N 1.417 121.190 119.914 -0.235 0.000 2.867 429 V HA -0.238 3.882 4.120 -0.000 0.000 0.260 429 V C 1.633 177.591 176.094 -0.225 0.000 1.099 429 V CA 1.708 63.865 62.300 -0.238 0.000 1.122 429 V CB -0.839 30.867 31.823 -0.194 0.000 0.708 429 V HN 0.568 nan 8.190 nan 0.000 0.490 430 N N -0.001 118.578 118.700 -0.203 0.000 2.354 430 N HA -0.146 4.594 4.740 -0.000 0.000 0.179 430 N C 1.768 177.191 175.510 -0.144 0.000 1.021 430 N CA 1.330 54.287 53.050 -0.154 0.000 0.887 430 N CB -0.046 38.365 38.487 -0.126 0.000 0.974 430 N HN 0.699 nan 8.380 nan 0.000 0.437 431 E N 1.217 121.288 120.200 -0.214 0.000 2.106 431 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 431 E C 1.812 178.322 176.600 -0.150 0.000 0.984 431 E CA 0.797 57.089 56.400 -0.181 0.000 0.806 431 E CB 0.084 29.624 29.700 -0.266 0.000 0.750 431 E HN 0.269 nan 8.360 nan 0.000 0.458 432 A N 1.229 123.870 122.820 -0.298 0.000 1.898 432 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 432 A C 2.402 179.993 177.584 0.011 0.000 1.181 432 A CA 1.593 53.589 52.037 -0.068 0.000 0.620 432 A CB -0.721 18.215 19.000 -0.107 0.000 0.819 432 A HN 0.403 nan 8.150 nan 0.000 0.442 433 A N -0.421 122.369 122.820 -0.050 0.000 1.902 433 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 433 A C 2.128 179.706 177.584 -0.010 0.000 1.181 433 A CA 1.772 53.790 52.037 -0.033 0.000 0.623 433 A CB -0.618 18.344 19.000 -0.063 0.000 0.818 433 A HN 0.684 nan 8.150 nan 0.000 0.443 434 L N -0.167 121.058 121.223 0.004 0.000 2.017 434 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 434 L C 2.681 179.636 176.870 0.142 0.000 1.073 434 L CA 2.253 57.123 54.840 0.050 0.000 0.745 434 L CB -0.994 41.119 42.059 0.089 0.000 0.894 434 L HN 0.351 nan 8.230 nan 0.000 0.432 435 A N -0.348 122.572 122.820 0.167 0.000 1.873 435 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 435 A C 2.317 180.002 177.584 0.170 0.000 1.193 435 A CA 2.229 54.395 52.037 0.215 0.000 0.629 435 A CB -1.101 18.040 19.000 0.234 0.000 0.826 435 A HN 0.509 nan 8.150 nan 0.000 0.447 436 L N -1.136 120.153 121.223 0.109 0.000 2.127 436 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 436 L C 2.629 179.518 176.870 0.033 0.000 1.089 436 L CA 1.662 56.545 54.840 0.073 0.000 0.757 436 L CB -0.434 41.655 42.059 0.050 0.000 0.899 436 L HN 0.431 nan 8.230 nan 0.000 0.434 437 E N -0.415 119.769 120.200 -0.027 0.000 2.110 437 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 437 E C 1.653 178.138 176.600 -0.193 0.000 0.988 437 E CA 1.430 57.740 56.400 -0.150 0.000 0.804 437 E CB -0.069 29.461 29.700 -0.283 0.000 0.745 437 E HN 0.442 nan 8.360 nan 0.000 0.458 438 Y N -1.155 119.165 120.300 0.033 0.000 2.511 438 Y HA 0.256 4.806 4.550 -0.000 0.000 0.279 438 Y C 1.478 177.398 175.900 0.033 0.000 1.157 438 Y CA 0.573 58.691 58.100 0.031 0.000 1.300 438 Y CB 0.535 39.013 38.460 0.030 0.000 1.052 438 Y HN 0.121 nan 8.280 nan 0.000 0.529 439 G N 0.502 109.396 108.800 0.156 0.000 2.198 439 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.257 439 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.257 439 G C 0.394 175.366 174.900 0.120 0.000 1.042 439 G CA -0.013 45.156 45.100 0.114 0.000 0.791 439 G HN 0.626 nan 8.290 nan 0.000 0.502 440 A N -0.137 122.773 122.820 0.148 0.000 2.466 440 A HA 0.708 5.028 4.320 -0.000 0.000 0.238 440 A C 1.149 178.784 177.584 0.085 0.000 1.074 440 A CA 0.962 53.068 52.037 0.115 0.000 0.774 440 A CB 0.343 19.424 19.000 0.134 0.000 1.015 440 A HN 2.080 nan 8.150 nan 0.000 0.498 441 S N -0.071 115.666 115.700 0.061 0.000 2.693 441 S HA 0.257 4.727 4.470 -0.000 0.000 0.276 441 S C 1.042 175.660 174.600 0.030 0.000 1.192 441 S CA -0.124 58.104 58.200 0.046 0.000 0.994 441 S CB 0.706 63.928 63.200 0.037 0.000 1.012 441 S HN 0.715 nan 8.310 nan 0.000 0.550 442 C N 0.539 119.849 119.300 0.016 0.000 2.425 442 C HA -0.004 4.456 4.460 -0.000 0.000 0.277 442 C C 2.701 177.676 174.990 -0.024 0.000 1.280 442 C CA 1.048 60.053 59.018 -0.021 0.000 1.744 442 C CB -1.589 26.142 27.740 -0.014 0.000 1.989 442 C HN 1.087 nan 8.230 nan 0.000 0.491 443 E N 1.073 121.275 120.200 0.003 0.000 2.077 443 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 443 E C 1.466 178.065 176.600 -0.001 0.000 0.989 443 E CA 1.382 57.784 56.400 0.003 0.000 0.800 443 E CB -0.130 29.582 29.700 0.019 0.000 0.746 443 E HN 0.517 nan 8.360 nan 0.000 0.452 444 D N 0.665 121.072 120.400 0.012 0.000 2.103 444 D HA -0.211 4.429 4.640 -0.000 0.000 0.190 444 D C 2.049 178.369 176.300 0.033 0.000 0.997 444 D CA 1.376 55.387 54.000 0.019 0.000 0.833 444 D CB -0.336 40.481 40.800 0.028 0.000 0.961 444 D HN 0.319 nan 8.370 nan 0.000 0.447 445 I N 1.033 121.626 120.570 0.039 0.000 2.226 445 I HA -0.262 3.907 4.170 -0.000 0.000 0.245 445 I C 2.474 178.620 176.117 0.048 0.000 1.100 445 I CA 1.092 62.439 61.300 0.079 0.000 1.374 445 I CB -0.244 37.766 38.000 0.017 0.000 1.057 445 I HN -0.070 nan 8.210 nan 0.000 0.413 446 A N 0.704 123.497 122.820 -0.045 0.000 1.972 446 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 446 A C 2.303 179.865 177.584 -0.037 0.000 1.169 446 A CA 1.386 53.372 52.037 -0.085 0.000 0.635 446 A CB -0.485 18.457 19.000 -0.097 0.000 0.810 446 A HN 0.367 nan 8.150 nan 0.000 0.446 447 R N -0.865 119.632 120.500 -0.005 0.000 2.310 447 R HA 0.169 4.508 4.340 -0.000 0.000 0.202 447 R C -0.312 176.011 176.300 0.038 0.000 0.933 447 R CA -0.131 55.969 56.100 0.000 0.000 1.054 447 R CB 0.059 30.352 30.300 -0.011 0.000 0.985 447 R HN 0.304 nan 8.270 nan 0.000 0.489 448 V N 1.184 121.154 119.914 0.094 0.000 2.614 448 V HA -0.025 4.095 4.120 -0.000 0.000 0.291 448 V C 0.434 176.629 176.094 0.169 0.000 1.049 448 V CA -0.667 61.691 62.300 0.096 0.000 1.038 448 V CB 1.396 33.271 31.823 0.086 0.000 0.980 448 V HN 0.298 nan 8.190 nan 0.000 0.481 449 C N 7.187 126.530 119.300 0.072 0.000 2.520 449 C HA 0.347 4.807 4.460 -0.000 0.000 0.369 449 C C 0.403 175.440 174.990 0.079 0.000 1.244 449 C CA -0.496 58.577 59.018 0.091 0.000 1.677 449 C CB -1.845 25.915 27.740 0.034 0.000 2.324 449 C HN 0.892 nan 8.230 nan 0.000 0.557 450 H N 3.380 122.466 119.070 0.027 0.000 2.487 450 H HA 0.516 5.072 4.556 -0.000 0.000 0.333 450 H C 0.633 175.995 175.328 0.055 0.000 1.114 450 H CA 0.579 56.654 56.048 0.044 0.000 1.310 450 H CB 1.134 30.928 29.762 0.052 0.000 1.462 450 H HN 0.874 nan 8.280 nan 0.000 0.516 451 A N 2.217 125.120 122.820 0.139 0.000 2.498 451 A HA 0.145 4.465 4.320 -0.000 0.000 0.239 451 A C -0.399 177.272 177.584 0.146 0.000 1.068 451 A CA 0.149 52.254 52.037 0.114 0.000 0.766 451 A CB -0.358 18.681 19.000 0.064 0.000 1.003 451 A HN 0.872 nan 8.150 nan 0.000 0.497 452 H N 2.576 121.680 119.070 0.057 0.000 2.481 452 H HA 0.622 5.178 4.556 -0.000 0.000 0.333 452 H C -2.359 172.997 175.328 0.047 0.000 1.066 452 H CA -1.428 54.652 56.048 0.053 0.000 1.209 452 H CB 1.332 31.118 29.762 0.041 0.000 1.445 452 H HN 0.572 nan 8.280 nan 0.000 0.488 453 P HA 0.288 nan 4.420 nan 0.000 0.304 453 P C -1.323 175.873 177.300 -0.173 0.000 1.360 453 P CA -0.625 62.127 63.100 -0.579 0.000 0.869 453 P CB 1.853 33.188 31.700 -0.607 0.000 0.988 454 T N -1.063 113.448 114.554 -0.072 0.000 2.883 454 T HA 0.375 4.725 4.350 -0.000 0.000 0.296 454 T C 1.173 175.928 174.700 0.093 0.000 1.117 454 T CA -0.917 61.200 62.100 0.028 0.000 1.006 454 T CB 0.919 69.828 68.868 0.067 0.000 1.191 454 T HN 0.108 nan 8.240 nan 0.000 0.508 455 L N 1.362 122.667 121.223 0.136 0.000 2.201 455 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 455 L C 3.073 180.109 176.870 0.277 0.000 1.105 455 L CA 1.461 56.459 54.840 0.264 0.000 0.775 455 L CB -0.680 41.506 42.059 0.211 0.000 0.913 455 L HN 0.959 nan 8.230 nan 0.000 0.440 456 S N -0.224 115.598 115.700 0.204 0.000 2.419 456 S HA -0.237 4.233 4.470 -0.000 0.000 0.235 456 S C 1.633 176.336 174.600 0.171 0.000 1.019 456 S CA 1.332 59.680 58.200 0.247 0.000 0.982 456 S CB -0.375 63.014 63.200 0.316 0.000 0.789 456 S HN 0.525 nan 8.310 nan 0.000 0.490 457 E N 1.292 121.537 120.200 0.076 0.000 2.265 457 E HA -0.010 4.340 4.350 -0.000 0.000 0.196 457 E C 2.335 178.766 176.600 -0.282 0.000 0.996 457 E CA 0.845 57.178 56.400 -0.111 0.000 0.832 457 E CB -0.380 29.305 29.700 -0.026 0.000 0.756 457 E HN 0.785 nan 8.360 nan 0.000 0.491 458 A N 0.876 123.599 122.820 -0.162 0.000 1.930 458 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 458 A C 1.897 179.316 177.584 -0.274 0.000 1.175 458 A CA 0.824 52.669 52.037 -0.320 0.000 0.627 458 A CB -0.539 18.191 19.000 -0.450 0.000 0.815 458 A HN 0.308 nan 8.150 nan 0.000 0.443 459 F N 0.628 120.444 119.950 -0.223 0.000 2.075 459 F HA -0.122 4.405 4.527 -0.000 0.000 0.297 459 F C 2.369 178.026 175.800 -0.238 0.000 1.113 459 F CA 1.944 59.854 58.000 -0.151 0.000 1.218 459 F CB -0.359 38.619 39.000 -0.036 0.000 0.984 459 F HN 0.203 nan 8.300 nan 0.000 0.472 460 R N 0.431 120.678 120.500 -0.422 0.000 2.091 460 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 460 R C 2.152 178.158 176.300 -0.490 0.000 1.136 460 R CA 1.911 57.648 56.100 -0.605 0.000 0.959 460 R CB -0.447 29.310 30.300 -0.905 0.000 0.856 460 R HN 0.342 nan 8.270 nan 0.000 0.437 461 E N -0.130 119.736 120.200 -0.557 0.000 2.150 461 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 461 E C 1.818 178.220 176.600 -0.329 0.000 0.985 461 E CA 1.024 57.088 56.400 -0.561 0.000 0.814 461 E CB 0.000 28.980 29.700 -1.200 0.000 0.752 461 E HN 0.462 nan 8.360 nan 0.000 0.466 462 A N 1.786 124.426 122.820 -0.299 0.000 1.930 462 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 462 A C 1.938 179.425 177.584 -0.163 0.000 1.175 462 A CA 1.034 52.999 52.037 -0.120 0.000 0.627 462 A CB -0.352 18.584 19.000 -0.106 0.000 0.815 462 A HN 0.153 nan 8.150 nan 0.000 0.443 463 N N -0.242 118.272 118.700 -0.310 0.000 2.142 463 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 463 N C 1.697 177.132 175.510 -0.125 0.000 1.023 463 N CA 1.522 54.421 53.050 -0.251 0.000 0.852 463 N CB -0.322 37.942 38.487 -0.372 0.000 0.998 463 N HN 0.407 nan 8.380 nan 0.000 0.424 464 L N 1.620 122.763 121.223 -0.134 0.000 2.012 464 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 464 L C 2.238 179.140 176.870 0.053 0.000 1.073 464 L CA 1.641 56.449 54.840 -0.053 0.000 0.748 464 L CB -0.991 41.006 42.059 -0.102 0.000 0.891 464 L HN 0.074 nan 8.230 nan 0.000 0.431 465 A N -0.444 122.406 122.820 0.049 0.000 1.877 465 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 465 A C 2.463 180.097 177.584 0.082 0.000 1.186 465 A CA 2.064 54.166 52.037 0.109 0.000 0.620 465 A CB -1.266 17.812 19.000 0.130 0.000 0.822 465 A HN 0.601 nan 8.150 nan 0.000 0.443 466 A N -1.044 121.803 122.820 0.044 0.000 1.902 466 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 466 A C 2.498 180.111 177.584 0.048 0.000 1.181 466 A CA 2.269 54.331 52.037 0.041 0.000 0.623 466 A CB -0.883 18.130 19.000 0.022 0.000 0.818 466 A HN 0.554 nan 8.150 nan 0.000 0.443 467 S N -2.003 113.731 115.700 0.056 0.000 2.345 467 S HA -0.059 4.411 4.470 -0.000 0.000 0.219 467 S C 1.647 176.327 174.600 0.133 0.000 1.031 467 S CA 1.472 59.719 58.200 0.078 0.000 0.984 467 S CB -0.359 62.881 63.200 0.067 0.000 0.874 467 S HN 0.593 nan 8.310 nan 0.000 0.451 468 F N 0.570 120.512 119.950 -0.014 0.000 2.698 468 F HA 0.373 4.900 4.527 -0.000 0.000 0.295 468 F C 1.495 177.293 175.800 -0.004 0.000 1.124 468 F CA 1.111 59.105 58.000 -0.010 0.000 1.426 468 F CB 0.417 39.409 39.000 -0.013 0.000 1.120 468 F HN 0.415 nan 8.300 nan 0.000 0.583 469 G N 0.891 109.721 108.800 0.050 0.000 2.284 469 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 469 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 469 G C 0.215 175.151 174.900 0.060 0.000 1.009 469 G CA -0.004 45.072 45.100 -0.041 0.000 0.625 469 G HN 0.364 nan 8.290 nan 0.000 0.501 470 K N 0.720 121.253 120.400 0.222 0.000 2.498 470 K HA 0.616 4.936 4.320 -0.000 0.000 0.254 470 K C 0.068 176.826 176.600 0.265 0.000 0.933 470 K CA -0.092 56.337 56.287 0.236 0.000 0.806 470 K CB 2.308 34.954 32.500 0.243 0.000 1.301 470 K HN 0.415 nan 8.250 nan 0.000 0.432 471 S N 1.698 117.528 115.700 0.217 0.000 2.713 471 S HA 0.353 4.823 4.470 -0.000 0.000 0.277 471 S C 1.143 175.831 174.600 0.148 0.000 1.168 471 S CA -0.757 57.540 58.200 0.162 0.000 0.994 471 S CB 0.546 63.906 63.200 0.266 0.000 1.054 471 S HN 0.455 nan 8.310 nan 0.000 0.555 472 I N 1.037 121.658 120.570 0.085 0.000 2.339 472 I HA -0.008 4.162 4.170 -0.000 0.000 0.245 472 I C 1.470 177.678 176.117 0.151 0.000 1.096 472 I CA 0.928 62.273 61.300 0.075 0.000 1.408 472 I CB -1.423 36.582 38.000 0.008 0.000 1.092 472 I HN 0.654 nan 8.210 nan 0.000 0.423 473 N N -0.044 118.812 118.700 0.260 0.000 2.370 473 N HA 0.064 4.804 4.740 -0.000 0.000 0.198 473 N C -0.196 175.579 175.510 0.441 0.000 1.156 473 N CA 0.201 53.459 53.050 0.347 0.000 0.839 473 N CB 0.592 39.318 38.487 0.399 0.000 0.989 473 N HN 0.180 nan 8.380 nan 0.000 0.468 474 F N 0.000 120.071 119.950 0.202 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 58.030 58.000 0.050 0.000 1.383 474 F CB 0.000 38.914 39.000 -0.142 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574