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 2vur_1_B DATA FIRST_RESID 41 DATA SEQUENCE VLVPNLNPTP ENLEVVGDGF KITSSINLVG EEEADENAVN ALREFLTANN DATA SEQUENCE IEINSENDPN STTLIIGEVD DDIPELDEAL NGTTAENLKE EGYALVSNDG DATA SEQUENCE KIAIEGKDGD GTFYGVQTFK QLVKESNIPE VNITDYPTVS ARGIVEGFYG DATA SEQUENCE TPWTHQDRLD QIKFYGENKL NTYIYAPKDD PYHREKWREP YPESEMQRMQ DATA SEQUENCE ELINASAENK VDFVFGISPG IDIRFDGDAG EEDFNHLITK AESLYDMGVR DATA SEQUENCE SFAIYWDDIQ DKSAAKHAQV LNRFNEEFVK AKGDVKPLIT VPTEYDTGAM DATA SEQUENCE VSNGQPRAYT RIFAETVDPS IEVMWTGPGV VTNEIPLSDA QLISGIYNRN DATA SEQUENCE MAVWWNYPVT DYFKGKLALG PMHGLDKGLN QYVDFFTVNP MEHAELSKIS DATA SEQUENCE IHTAADYSWN MDNYDYDKAW NRAIDMLYGD LAEDMKVFAN HSTRMDNKTW DATA SEQUENCE AKSGREDAPE LRAKMDELWN KLSSKEDASA LIEELYGEFA RMEEACNNLK DATA SEQUENCE ANLPEVALEE CSRQLDELIT LAQGDKASLD MIVAQLNEDT EAYESAKEIA DATA SEQUENCE QNKLNTALSS FAVISEKVAQ SFIQEALSFD LTLI 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 41 V HA 0.000 nan 4.120 nan 0.000 0.244 41 V C 0.000 176.089 176.094 -0.009 0.000 1.182 41 V CA 0.000 62.298 62.300 -0.002 0.000 1.235 41 V CB 0.000 31.825 31.823 0.004 0.000 1.184 42 L N 2.761 123.975 121.223 -0.015 0.000 2.395 42 L HA 0.612 4.954 4.340 0.003 0.000 0.269 42 L C 0.009 176.867 176.870 -0.021 0.000 1.133 42 L CA -0.772 54.060 54.840 -0.014 0.000 0.812 42 L CB 1.577 43.628 42.059 -0.014 0.000 1.125 42 L HN 0.202 nan 8.230 nan 0.000 0.452 43 V N 2.737 122.642 119.914 -0.015 0.000 2.470 43 V HA 0.157 4.279 4.120 0.003 0.000 0.276 43 V C -1.754 174.327 176.094 -0.021 0.000 1.040 43 V CA -1.292 60.997 62.300 -0.018 0.000 1.008 43 V CB 0.175 31.993 31.823 -0.008 0.000 0.990 43 V HN 0.663 nan 8.190 nan 0.000 0.477 44 P HA 0.188 nan 4.420 nan 0.000 0.272 44 P C -0.118 177.170 177.300 -0.021 0.000 1.240 44 P CA -0.673 62.408 63.100 -0.031 0.000 0.791 44 P CB 0.344 32.016 31.700 -0.047 0.000 0.978 45 N N 0.751 119.443 118.700 -0.012 0.000 2.357 45 N HA 0.028 4.770 4.740 0.003 0.000 0.257 45 N C -0.504 175.006 175.510 -0.000 0.000 1.250 45 N CA 0.669 53.721 53.050 0.004 0.000 0.862 45 N CB -0.149 38.347 38.487 0.015 0.000 1.066 45 N HN 0.296 nan 8.380 nan 0.000 0.468 46 L N 2.238 123.463 121.223 0.005 0.000 2.381 46 L HA 0.483 4.825 4.340 0.003 0.000 0.268 46 L C 0.132 176.988 176.870 -0.023 0.000 0.997 46 L CA -0.649 54.175 54.840 -0.026 0.000 0.818 46 L CB 2.004 44.042 42.059 -0.035 0.000 1.310 46 L HN 0.469 nan 8.230 nan 0.000 0.416 47 N N 2.550 121.191 118.700 -0.099 0.000 2.455 47 N HA 0.405 5.147 4.740 0.003 0.000 0.285 47 N C -2.925 172.377 175.510 -0.347 0.000 1.080 47 N CA -1.170 51.765 53.050 -0.193 0.000 0.932 47 N CB 3.375 41.697 38.487 -0.275 0.000 1.610 47 N HN 0.191 nan 8.380 nan 0.000 0.493 48 P HA 0.085 nan 4.420 nan 0.000 0.272 48 P C -0.556 176.640 177.300 -0.173 0.000 1.254 48 P CA 0.070 62.984 63.100 -0.311 0.000 0.795 48 P CB 0.388 31.777 31.700 -0.518 0.000 1.022 49 T N 2.546 117.095 114.554 -0.009 0.000 2.834 49 T HA 0.210 4.562 4.350 0.003 0.000 0.298 49 T C -2.180 172.574 174.700 0.090 0.000 0.966 49 T CA -0.790 61.334 62.100 0.040 0.000 1.141 49 T CB -0.507 68.405 68.868 0.074 0.000 0.905 49 T HN 0.282 nan 8.240 nan 0.000 0.535 50 P HA 0.189 nan 4.420 nan 0.000 0.271 50 P C 0.820 178.140 177.300 0.033 0.000 1.218 50 P CA -0.303 62.862 63.100 0.109 0.000 0.780 50 P CB 0.744 32.485 31.700 0.070 0.000 0.901 51 E N 2.491 122.654 120.200 -0.063 0.000 2.023 51 E HA -0.156 4.196 4.350 0.003 0.000 0.196 51 E C 0.013 176.542 176.600 -0.118 0.000 1.003 51 E CA 1.714 57.979 56.400 -0.225 0.000 0.809 51 E CB -0.126 29.189 29.700 -0.643 0.000 0.755 51 E HN 0.411 nan 8.360 nan 0.000 0.449 52 N N 0.200 118.847 118.700 -0.088 0.000 2.448 52 N HA 0.291 5.033 4.740 0.003 0.000 0.279 52 N C -1.289 174.213 175.510 -0.012 0.000 1.025 52 N CA -0.354 52.676 53.050 -0.034 0.000 0.898 52 N CB 1.884 40.363 38.487 -0.013 0.000 1.303 52 N HN 0.100 nan 8.380 nan 0.000 0.495 53 L N 1.617 122.841 121.223 0.002 0.000 2.410 53 L HA 0.507 4.849 4.340 0.003 0.000 0.270 53 L C -0.918 175.963 176.870 0.017 0.000 0.983 53 L CA -0.612 54.238 54.840 0.016 0.000 0.822 53 L CB 1.781 43.853 42.059 0.021 0.000 1.285 53 L HN 0.573 nan 8.230 nan 0.000 0.409 54 E N 3.770 123.984 120.200 0.024 0.000 2.293 54 E HA 0.535 4.887 4.350 0.003 0.000 0.270 54 E C -1.176 175.442 176.600 0.030 0.000 0.879 54 E CA -1.043 55.371 56.400 0.023 0.000 0.756 54 E CB 2.131 31.844 29.700 0.022 0.000 1.208 54 E HN 0.382 nan 8.360 nan 0.000 0.428 55 V N 1.675 121.605 119.914 0.026 0.000 2.455 55 V HA 0.280 4.402 4.120 0.003 0.000 0.273 55 V C 0.767 176.882 176.094 0.035 0.000 1.045 55 V CA -0.115 62.204 62.300 0.031 0.000 0.976 55 V CB 0.615 32.453 31.823 0.024 0.000 0.993 55 V HN 0.811 nan 8.190 nan 0.000 0.475 56 V N 1.618 121.559 119.914 0.046 0.000 3.578 56 V HA 0.806 4.928 4.120 0.003 0.000 0.290 56 V C 0.809 176.934 176.094 0.052 0.000 1.376 56 V CA 0.730 63.057 62.300 0.046 0.000 1.083 56 V CB -0.436 31.417 31.823 0.050 0.000 0.911 56 V HN 1.272 nan 8.190 nan 0.000 0.433 57 G N -0.720 108.116 108.800 0.060 0.000 2.606 57 G HA2 0.417 4.379 3.960 0.003 0.000 0.300 57 G HA3 0.417 4.379 3.960 0.003 0.000 0.300 57 G C -1.044 173.895 174.900 0.065 0.000 1.360 57 G CA 0.140 45.281 45.100 0.068 0.000 0.783 57 G HN -0.077 nan 8.290 nan 0.000 0.484 58 D N -0.115 120.328 120.400 0.070 0.000 2.340 58 D HA 0.357 4.999 4.640 0.003 0.000 0.220 58 D C 1.346 177.685 176.300 0.065 0.000 1.039 58 D CA 1.433 55.467 54.000 0.057 0.000 0.866 58 D CB 0.509 41.339 40.800 0.049 0.000 0.913 58 D HN 1.248 nan 8.370 nan 0.000 0.523 59 G N 1.199 110.061 108.800 0.103 0.000 2.690 59 G HA2 -0.035 3.927 3.960 0.003 0.000 0.686 59 G HA3 -0.035 3.927 3.960 0.003 0.000 0.686 59 G C -0.623 174.384 174.900 0.178 0.000 1.277 59 G CA -0.565 44.584 45.100 0.082 0.000 0.799 59 G HN 0.208 nan 8.290 nan 0.000 0.613 60 F N -1.122 118.847 119.950 0.032 0.000 2.599 60 F HA 0.875 5.404 4.527 0.003 0.000 0.311 60 F C -0.270 175.552 175.800 0.037 0.000 1.076 60 F CA -1.569 56.450 58.000 0.032 0.000 0.937 60 F CB 1.934 40.954 39.000 0.033 0.000 1.282 60 F HN 0.609 nan 8.300 nan 0.000 0.460 61 K N 3.079 123.582 120.400 0.171 0.000 2.276 61 K HA 0.517 4.839 4.320 0.003 0.000 0.283 61 K C -0.672 176.058 176.600 0.217 0.000 1.044 61 K CA -0.492 55.846 56.287 0.085 0.000 0.944 61 K CB 0.701 33.247 32.500 0.077 0.000 1.012 61 K HN 0.752 nan 8.250 nan 0.000 0.472 62 I N 3.465 124.109 120.570 0.123 0.000 2.575 62 I HA -0.006 4.166 4.170 0.003 0.000 0.285 62 I C 1.024 177.230 176.117 0.148 0.000 1.085 62 I CA -0.273 61.156 61.300 0.215 0.000 1.403 62 I CB 1.168 39.279 38.000 0.184 0.000 1.409 62 I HN 0.724 nan 8.210 nan 0.000 0.557 63 T N 1.134 115.775 114.554 0.146 0.000 2.766 63 T HA 0.085 4.437 4.350 0.003 0.000 0.295 63 T C 1.080 175.820 174.700 0.067 0.000 1.024 63 T CA -0.730 61.424 62.100 0.090 0.000 1.018 63 T CB 0.922 69.835 68.868 0.075 0.000 1.002 63 T HN 0.561 nan 8.240 nan 0.000 0.532 64 S N 0.174 115.899 115.700 0.043 0.000 2.453 64 S HA 0.117 4.589 4.470 0.003 0.000 0.231 64 S C 0.953 175.569 174.600 0.027 0.000 1.005 64 S CA 0.591 58.806 58.200 0.026 0.000 0.949 64 S CB -0.192 63.016 63.200 0.014 0.000 0.774 64 S HN 0.865 nan 8.310 nan 0.000 0.510 65 S N 0.174 115.895 115.700 0.034 0.000 2.541 65 S HA 0.688 5.160 4.470 0.003 0.000 0.280 65 S C -0.915 173.712 174.600 0.044 0.000 1.112 65 S CA -1.014 57.205 58.200 0.033 0.000 0.925 65 S CB 0.739 63.952 63.200 0.021 0.000 1.067 65 S HN 0.246 nan 8.310 nan 0.000 0.479 66 I N 1.487 122.084 120.570 0.046 0.000 2.957 66 I HA 0.673 4.845 4.170 0.003 0.000 0.310 66 I C -0.594 175.542 176.117 0.032 0.000 1.063 66 I CA -0.970 60.360 61.300 0.051 0.000 1.033 66 I CB 1.493 39.539 38.000 0.076 0.000 1.230 66 I HN 0.425 nan 8.210 nan 0.000 0.447 67 N N 2.685 121.400 118.700 0.025 0.000 2.434 67 N HA 0.469 5.211 4.740 0.003 0.000 0.272 67 N C -1.320 174.193 175.510 0.006 0.000 1.040 67 N CA -0.296 52.761 53.050 0.011 0.000 0.956 67 N CB 1.954 40.443 38.487 0.004 0.000 1.108 67 N HN 0.545 nan 8.380 nan 0.000 0.481 68 L N 3.094 124.318 121.223 0.002 0.000 2.313 68 L HA 0.494 4.836 4.340 0.003 0.000 0.283 68 L C -1.014 175.851 176.870 -0.009 0.000 1.013 68 L CA -0.676 54.160 54.840 -0.007 0.000 0.816 68 L CB 1.568 43.627 42.059 -0.000 0.000 1.236 68 L HN 0.193 nan 8.230 nan 0.000 0.419 69 V N 4.474 124.378 119.914 -0.017 0.000 2.604 69 V HA 0.750 4.872 4.120 0.003 0.000 0.305 69 V C 0.778 176.863 176.094 -0.016 0.000 1.043 69 V CA 0.198 62.490 62.300 -0.014 0.000 0.888 69 V CB 1.212 33.027 31.823 -0.013 0.000 0.995 69 V HN 0.921 nan 8.190 nan 0.000 0.429 70 G N 2.785 111.579 108.800 -0.009 0.000 2.194 70 G HA2 -0.223 3.739 3.960 0.003 0.000 0.236 70 G HA3 -0.223 3.739 3.960 0.003 0.000 0.236 70 G C 0.864 175.761 174.900 -0.005 0.000 0.987 70 G CA 0.385 45.481 45.100 -0.007 0.000 0.635 70 G HN 0.842 nan 8.290 nan 0.000 0.520 71 E N 0.760 120.956 120.200 -0.006 0.000 2.209 71 E HA -0.152 4.200 4.350 0.003 0.000 0.196 71 E C 1.654 178.255 176.600 0.002 0.000 0.993 71 E CA 1.688 58.086 56.400 -0.002 0.000 0.819 71 E CB -0.196 29.504 29.700 -0.000 0.000 0.745 71 E HN 0.426 nan 8.360 nan 0.000 0.477 72 E N 0.855 121.056 120.200 0.001 0.000 2.216 72 E HA -0.052 4.300 4.350 0.003 0.000 0.192 72 E C 1.500 178.102 176.600 0.003 0.000 0.988 72 E CA 0.952 57.354 56.400 0.002 0.000 0.834 72 E CB 0.130 29.831 29.700 0.002 0.000 0.772 72 E HN 0.445 nan 8.360 nan 0.000 0.479 73 E N -0.273 119.929 120.200 0.003 0.000 2.307 73 E HA 0.248 4.600 4.350 0.003 0.000 0.195 73 E C 0.366 176.970 176.600 0.006 0.000 0.975 73 E CA 0.427 56.830 56.400 0.005 0.000 0.878 73 E CB 0.271 29.974 29.700 0.005 0.000 0.845 73 E HN 0.127 nan 8.360 nan 0.000 0.488 74 A N 1.490 124.314 122.820 0.005 0.000 2.406 74 A HA 0.057 4.379 4.320 0.003 0.000 0.243 74 A C -0.154 177.436 177.584 0.011 0.000 1.082 74 A CA -0.329 51.713 52.037 0.008 0.000 0.786 74 A CB 0.036 19.037 19.000 0.002 0.000 1.029 74 A HN 0.151 nan 8.150 nan 0.000 0.495 75 D N 0.175 120.584 120.400 0.015 0.000 2.586 75 D HA -0.054 4.588 4.640 0.003 0.000 0.234 75 D C 1.143 177.455 176.300 0.021 0.000 1.132 75 D CA 0.936 54.945 54.000 0.016 0.000 0.860 75 D CB 0.469 41.282 40.800 0.021 0.000 1.159 75 D HN 0.631 nan 8.370 nan 0.000 0.490 76 E N 2.847 123.054 120.200 0.011 0.000 2.077 76 E HA -0.265 4.087 4.350 0.003 0.000 0.193 76 E C 1.089 177.707 176.600 0.030 0.000 0.989 76 E CA 1.321 57.729 56.400 0.014 0.000 0.800 76 E CB 0.068 29.768 29.700 0.000 0.000 0.746 76 E HN 0.654 nan 8.360 nan 0.000 0.452 77 N N -0.009 118.707 118.700 0.026 0.000 2.270 77 N HA -0.095 4.647 4.740 0.003 0.000 0.181 77 N C 1.760 177.405 175.510 0.225 0.000 1.016 77 N CA 0.793 53.879 53.050 0.060 0.000 0.870 77 N CB -0.073 38.369 38.487 -0.074 0.000 0.979 77 N HN 0.139 nan 8.380 nan 0.000 0.431 78 A N 0.706 123.656 122.820 0.216 0.000 1.902 78 A HA -0.085 4.237 4.320 0.003 0.000 0.217 78 A C 2.328 179.954 177.584 0.070 0.000 1.181 78 A CA 1.181 53.328 52.037 0.182 0.000 0.623 78 A CB -0.725 18.330 19.000 0.093 0.000 0.818 78 A HN 0.103 nan 8.150 nan 0.000 0.443 79 V N 0.531 120.477 119.914 0.054 0.000 2.453 79 V HA -0.214 3.908 4.120 0.003 0.000 0.247 79 V C 2.223 178.346 176.094 0.049 0.000 1.048 79 V CA 2.148 64.468 62.300 0.033 0.000 1.049 79 V CB -1.096 30.740 31.823 0.021 0.000 0.672 79 V HN 0.554 nan 8.190 nan 0.000 0.457 80 N N 0.637 119.374 118.700 0.061 0.000 2.166 80 N HA -0.108 4.634 4.740 0.003 0.000 0.186 80 N C 1.815 177.373 175.510 0.079 0.000 1.019 80 N CA 1.519 54.607 53.050 0.063 0.000 0.856 80 N CB -0.433 38.088 38.487 0.057 0.000 0.993 80 N HN 0.472 nan 8.380 nan 0.000 0.426 81 A N 0.119 122.999 122.820 0.100 0.000 1.930 81 A HA -0.046 4.276 4.320 0.003 0.000 0.217 81 A C 2.078 179.704 177.584 0.070 0.000 1.175 81 A CA 0.846 52.929 52.037 0.077 0.000 0.627 81 A CB -0.650 18.364 19.000 0.023 0.000 0.815 81 A HN 0.255 nan 8.150 nan 0.000 0.443 82 L N 0.095 121.356 121.223 0.064 0.000 1.994 82 L HA -0.125 4.217 4.340 0.003 0.000 0.208 82 L C 2.475 179.450 176.870 0.175 0.000 1.071 82 L CA 1.938 56.851 54.840 0.122 0.000 0.745 82 L CB -0.676 41.419 42.059 0.059 0.000 0.892 82 L HN 0.356 nan 8.230 nan 0.000 0.431 83 R N -0.098 120.467 120.500 0.108 0.000 2.096 83 R HA -0.236 4.106 4.340 0.003 0.000 0.240 83 R C 2.071 178.422 176.300 0.085 0.000 1.139 83 R CA 1.886 58.037 56.100 0.086 0.000 0.952 83 R CB -0.606 29.726 30.300 0.053 0.000 0.854 83 R HN 0.712 nan 8.270 nan 0.000 0.436 84 E N 0.149 120.403 120.200 0.091 0.000 2.110 84 E HA -0.211 4.141 4.350 0.003 0.000 0.193 84 E C 1.796 178.450 176.600 0.090 0.000 0.988 84 E CA 1.078 57.521 56.400 0.072 0.000 0.804 84 E CB -0.512 29.228 29.700 0.067 0.000 0.745 84 E HN 0.315 nan 8.360 nan 0.000 0.458 85 F N 1.301 121.251 119.950 0.001 0.000 2.146 85 F HA -0.084 4.445 4.527 0.003 0.000 0.298 85 F C 1.788 177.589 175.800 0.001 0.000 1.096 85 F CA 0.985 58.979 58.000 -0.010 0.000 1.275 85 F CB -0.039 38.956 39.000 -0.007 0.000 1.008 85 F HN -0.004 nan 8.300 nan 0.000 0.480 86 L N 0.302 121.563 121.223 0.063 0.000 2.027 86 L HA -0.174 4.168 4.340 0.003 0.000 0.206 86 L C 2.538 179.345 176.870 -0.104 0.000 1.074 86 L CA 2.225 57.052 54.840 -0.023 0.000 0.745 86 L CB -1.788 40.332 42.059 0.102 0.000 0.898 86 L HN 0.143 nan 8.230 nan 0.000 0.433 87 T N -0.043 114.478 114.554 -0.055 0.000 2.665 87 T HA -0.251 4.101 4.350 0.003 0.000 0.268 87 T C 1.843 176.477 174.700 -0.111 0.000 1.035 87 T CA 1.574 63.636 62.100 -0.062 0.000 1.151 87 T CB -0.469 68.382 68.868 -0.030 0.000 0.862 87 T HN 0.415 nan 8.240 nan 0.000 0.438 88 A N 1.565 124.294 122.820 -0.152 0.000 2.121 88 A HA -0.020 4.302 4.320 0.003 0.000 0.218 88 A C 1.819 179.245 177.584 -0.263 0.000 1.154 88 A CA 0.917 52.843 52.037 -0.183 0.000 0.679 88 A CB -0.267 18.634 19.000 -0.165 0.000 0.795 88 A HN 0.538 nan 8.150 nan 0.000 0.458 89 N N -0.037 118.448 118.700 -0.358 0.000 2.235 89 N HA 0.034 4.777 4.740 0.003 0.000 0.231 89 N C -0.668 174.716 175.510 -0.210 0.000 1.177 89 N CA -0.079 52.754 53.050 -0.363 0.000 0.874 89 N CB 0.334 38.428 38.487 -0.654 0.000 1.097 89 N HN 0.334 nan 8.380 nan 0.000 0.518 90 N N 0.831 119.442 118.700 -0.149 0.000 2.776 90 N HA -0.163 4.579 4.740 0.003 0.000 0.250 90 N C -0.608 174.865 175.510 -0.061 0.000 1.112 90 N CA 0.760 53.757 53.050 -0.088 0.000 0.733 90 N CB -1.383 37.060 38.487 -0.073 0.000 1.097 90 N HN 0.424 nan 8.380 nan 0.000 0.558 91 I N 1.126 121.657 120.570 -0.064 0.000 2.307 91 I HA 0.140 4.312 4.170 0.003 0.000 0.289 91 I C 0.811 176.931 176.117 0.005 0.000 1.021 91 I CA -0.407 60.885 61.300 -0.015 0.000 1.224 91 I CB 1.075 39.084 38.000 0.014 0.000 1.376 91 I HN -0.149 nan 8.210 nan 0.000 0.470 92 E N 6.142 126.348 120.200 0.011 0.000 2.349 92 E HA 0.362 4.714 4.350 0.003 0.000 0.262 92 E C -0.372 176.243 176.600 0.025 0.000 1.088 92 E CA -0.509 55.899 56.400 0.012 0.000 0.899 92 E CB 2.196 31.900 29.700 0.007 0.000 1.044 92 E HN 0.536 nan 8.360 nan 0.000 0.420 93 I N -0.298 120.285 120.570 0.021 0.000 2.354 93 I HA 0.343 4.515 4.170 0.003 0.000 0.292 93 I C 0.060 176.186 176.117 0.015 0.000 0.989 93 I CA -0.944 60.370 61.300 0.022 0.000 1.188 93 I CB 1.010 39.023 38.000 0.022 0.000 1.342 93 I HN 0.015 nan 8.210 nan 0.000 0.457 94 N N 3.921 122.630 118.700 0.015 0.000 2.441 94 N HA 0.076 4.818 4.740 0.003 0.000 0.251 94 N C 0.762 176.277 175.510 0.008 0.000 1.242 94 N CA 0.017 53.073 53.050 0.011 0.000 0.898 94 N CB 1.283 39.776 38.487 0.010 0.000 1.100 94 N HN 0.771 nan 8.380 nan 0.000 0.443 95 S N -0.229 115.475 115.700 0.006 0.000 2.458 95 S HA -0.033 4.439 4.470 0.003 0.000 0.223 95 S C 0.579 175.181 174.600 0.003 0.000 1.019 95 S CA 0.545 58.747 58.200 0.004 0.000 0.937 95 S CB 0.117 63.319 63.200 0.003 0.000 0.788 95 S HN 0.745 nan 8.310 nan 0.000 0.511 96 E N 1.690 121.892 120.200 0.003 0.000 2.356 96 E HA 0.298 4.650 4.350 0.003 0.000 0.275 96 E C -1.263 175.338 176.600 0.002 0.000 0.904 96 E CA -1.019 55.382 56.400 0.002 0.000 0.757 96 E CB 0.619 30.319 29.700 0.001 0.000 1.232 96 E HN -0.026 nan 8.360 nan 0.000 0.442 97 N N 1.576 120.277 118.700 0.000 0.000 2.356 97 N HA -0.007 4.735 4.740 0.003 0.000 0.252 97 N C -1.112 174.397 175.510 -0.001 0.000 1.241 97 N CA 0.729 53.779 53.050 -0.001 0.000 0.861 97 N CB 0.435 38.920 38.487 -0.003 0.000 1.075 97 N HN 0.509 nan 8.380 nan 0.000 0.461 98 D N 3.212 123.612 120.400 -0.000 0.000 2.736 98 D HA 0.282 4.924 4.640 0.003 0.000 0.243 98 D C -2.036 174.262 176.300 -0.004 0.000 1.304 98 D CA -1.756 52.243 54.000 -0.001 0.000 0.934 98 D CB 1.860 42.662 40.800 0.003 0.000 1.382 98 D HN 0.332 nan 8.370 nan 0.000 0.571 99 P HA -0.141 nan 4.420 nan 0.000 0.216 99 P C 0.930 178.222 177.300 -0.014 0.000 1.150 99 P CA 0.955 64.047 63.100 -0.013 0.000 0.843 99 P CB 0.526 32.218 31.700 -0.013 0.000 0.787 100 N N -0.776 117.920 118.700 -0.007 0.000 2.364 100 N HA -0.055 4.687 4.740 0.003 0.000 0.183 100 N C 0.316 175.828 175.510 0.003 0.000 1.022 100 N CA 0.608 53.656 53.050 -0.003 0.000 0.883 100 N CB -0.174 38.314 38.487 0.002 0.000 0.965 100 N HN 0.099 nan 8.380 nan 0.000 0.438 101 S N -0.821 114.882 115.700 0.006 0.000 2.632 101 S HA 0.231 4.703 4.470 0.003 0.000 0.271 101 S C 0.049 174.659 174.600 0.017 0.000 1.260 101 S CA -0.680 57.532 58.200 0.019 0.000 1.010 101 S CB 1.453 64.666 63.200 0.022 0.000 0.965 101 S HN 0.064 nan 8.310 nan 0.000 0.534 102 T N 3.091 117.675 114.554 0.050 0.000 2.916 102 T HA 0.207 4.559 4.350 0.003 0.000 0.303 102 T C 0.127 174.854 174.700 0.045 0.000 1.025 102 T CA 0.087 62.226 62.100 0.066 0.000 1.142 102 T CB 0.195 69.177 68.868 0.191 0.000 0.947 102 T HN 0.543 nan 8.240 nan 0.000 0.544 103 T N 4.236 118.799 114.554 0.015 0.000 2.767 103 T HA 0.513 4.865 4.350 0.003 0.000 0.284 103 T C -0.283 174.419 174.700 0.005 0.000 0.973 103 T CA -0.613 61.488 62.100 0.002 0.000 0.996 103 T CB 0.663 69.518 68.868 -0.020 0.000 0.927 103 T HN 0.388 nan 8.240 nan 0.000 0.456 104 L N 4.390 125.601 121.223 -0.019 0.000 2.333 104 L HA 0.651 4.993 4.340 0.003 0.000 0.280 104 L C -1.470 175.358 176.870 -0.070 0.000 1.004 104 L CA -1.020 53.773 54.840 -0.077 0.000 0.820 104 L CB 0.833 42.808 42.059 -0.140 0.000 1.247 104 L HN 0.588 nan 8.230 nan 0.000 0.416 105 I N 5.951 126.477 120.570 -0.073 0.000 2.433 105 I HA 0.504 4.676 4.170 0.003 0.000 0.292 105 I C -0.547 175.533 176.117 -0.061 0.000 1.001 105 I CA -0.159 61.111 61.300 -0.050 0.000 1.119 105 I CB 1.895 39.879 38.000 -0.027 0.000 1.289 105 I HN 0.447 nan 8.210 nan 0.000 0.438 106 I N 4.318 124.858 120.570 -0.048 0.000 2.647 106 I HA 0.938 5.110 4.170 0.003 0.000 0.295 106 I C -0.264 175.843 176.117 -0.016 0.000 1.078 106 I CA 0.079 61.353 61.300 -0.045 0.000 1.048 106 I CB 1.983 39.943 38.000 -0.066 0.000 1.239 106 I HN 0.743 nan 8.210 nan 0.000 0.421 107 G N 4.794 113.593 108.800 -0.001 0.000 2.321 107 G HA2 0.302 4.264 3.960 0.003 0.000 0.298 107 G HA3 0.302 4.264 3.960 0.003 0.000 0.298 107 G C -2.063 172.854 174.900 0.029 0.000 1.385 107 G CA -0.801 44.306 45.100 0.012 0.000 0.856 107 G HN 0.520 nan 8.290 nan 0.000 0.584 108 E N -0.736 119.483 120.200 0.031 0.000 2.227 108 E HA 0.510 4.862 4.350 0.003 0.000 0.268 108 E C 1.652 178.274 176.600 0.037 0.000 0.990 108 E CA -0.156 56.269 56.400 0.043 0.000 0.856 108 E CB 1.914 31.638 29.700 0.039 0.000 1.159 108 E HN 0.876 nan 8.360 nan 0.000 0.401 109 V N -1.048 118.892 119.914 0.043 0.000 2.469 109 V HA -0.272 3.850 4.120 0.003 0.000 0.251 109 V C 1.049 177.158 176.094 0.025 0.000 1.064 109 V CA 1.930 64.250 62.300 0.033 0.000 1.066 109 V CB -0.430 31.413 31.823 0.034 0.000 0.667 109 V HN 0.558 nan 8.190 nan 0.000 0.461 110 D N 0.545 120.960 120.400 0.025 0.000 2.218 110 D HA -0.079 4.563 4.640 0.003 0.000 0.204 110 D C 0.560 176.870 176.300 0.016 0.000 0.976 110 D CA 1.265 55.276 54.000 0.020 0.000 0.853 110 D CB -0.126 40.687 40.800 0.021 0.000 0.939 110 D HN 0.585 nan 8.370 nan 0.000 0.481 111 D N 0.957 121.367 120.400 0.017 0.000 2.329 111 D HA 0.134 4.776 4.640 0.003 0.000 0.246 111 D C -0.378 175.929 176.300 0.012 0.000 1.111 111 D CA -0.001 54.007 54.000 0.013 0.000 0.941 111 D CB 1.027 41.834 40.800 0.013 0.000 1.169 111 D HN -0.184 nan 8.370 nan 0.000 0.441 112 D N 0.771 121.176 120.400 0.009 0.000 2.477 112 D HA 0.270 4.912 4.640 0.003 0.000 0.239 112 D C -0.748 175.555 176.300 0.006 0.000 1.102 112 D CA -0.393 53.611 54.000 0.008 0.000 0.901 112 D CB 0.172 40.975 40.800 0.006 0.000 1.026 112 D HN 0.117 nan 8.370 nan 0.000 0.515 113 I N 4.212 124.786 120.570 0.006 0.000 2.439 113 I HA 0.248 4.420 4.170 0.003 0.000 0.283 113 I C -1.798 174.322 176.117 0.004 0.000 1.023 113 I CA -2.175 59.127 61.300 0.004 0.000 1.100 113 I CB 1.590 39.592 38.000 0.004 0.000 1.238 113 I HN 0.045 nan 8.210 nan 0.000 0.445 114 P HA -0.077 nan 4.420 nan 0.000 0.215 114 P C 1.225 178.525 177.300 0.000 0.000 1.157 114 P CA 1.272 64.373 63.100 0.001 0.000 0.863 114 P CB 0.569 32.269 31.700 -0.000 0.000 0.787 115 E N -0.869 119.330 120.200 -0.002 0.000 2.160 115 E HA -0.176 4.176 4.350 0.003 0.000 0.195 115 E C 1.819 178.417 176.600 -0.003 0.000 0.991 115 E CA 0.752 57.149 56.400 -0.005 0.000 0.810 115 E CB -0.833 28.862 29.700 -0.008 0.000 0.742 115 E HN 0.079 nan 8.360 nan 0.000 0.466 116 L N 0.841 122.064 121.223 0.000 0.000 2.044 116 L HA -0.142 4.200 4.340 0.003 0.000 0.205 116 L C 1.354 178.230 176.870 0.009 0.000 1.075 116 L CA 1.810 56.653 54.840 0.005 0.000 0.747 116 L CB -0.404 41.660 42.059 0.008 0.000 0.903 116 L HN 0.038 nan 8.230 nan 0.000 0.435 117 D N -0.352 120.053 120.400 0.009 0.000 2.087 117 D HA -0.210 4.432 4.640 0.003 0.000 0.192 117 D C 2.071 178.376 176.300 0.008 0.000 0.993 117 D CA 1.428 55.434 54.000 0.010 0.000 0.828 117 D CB -0.101 40.704 40.800 0.008 0.000 0.968 117 D HN 0.435 nan 8.370 nan 0.000 0.448 118 E N 0.324 120.526 120.200 0.004 0.000 2.153 118 E HA -0.119 4.233 4.350 0.003 0.000 0.194 118 E C 2.014 178.615 176.600 0.002 0.000 0.988 118 E CA 0.765 57.166 56.400 0.002 0.000 0.811 118 E CB 0.012 29.711 29.700 -0.002 0.000 0.746 118 E HN 0.168 nan 8.360 nan 0.000 0.466 119 A N 0.872 123.693 122.820 0.002 0.000 1.930 119 A HA -0.117 4.205 4.320 0.003 0.000 0.217 119 A C 2.178 179.771 177.584 0.015 0.000 1.175 119 A CA 0.815 52.854 52.037 0.003 0.000 0.627 119 A CB -0.430 18.571 19.000 0.000 0.000 0.815 119 A HN 0.131 nan 8.150 nan 0.000 0.443 120 L N -1.388 119.846 121.223 0.019 0.000 2.072 120 L HA -0.092 4.250 4.340 0.003 0.000 0.205 120 L C 0.952 177.836 176.870 0.024 0.000 1.079 120 L CA 0.922 55.778 54.840 0.028 0.000 0.752 120 L CB -0.557 41.520 42.059 0.030 0.000 0.906 120 L HN 0.635 nan 8.230 nan 0.000 0.436 121 N N -0.145 118.565 118.700 0.017 0.000 2.648 121 N HA -0.179 4.563 4.740 0.003 0.000 0.265 121 N C 0.521 176.040 175.510 0.016 0.000 1.100 121 N CA 0.915 53.973 53.050 0.014 0.000 0.715 121 N CB -0.965 37.529 38.487 0.013 0.000 0.881 121 N HN 0.586 nan 8.380 nan 0.000 0.548 122 G N -0.513 108.296 108.800 0.015 0.000 2.383 122 G HA2 -0.304 3.658 3.960 0.003 0.000 0.229 122 G HA3 -0.304 3.658 3.960 0.003 0.000 0.229 122 G C 0.388 175.299 174.900 0.018 0.000 1.089 122 G CA 0.425 45.534 45.100 0.014 0.000 0.640 122 G HN 0.931 nan 8.290 nan 0.000 0.510 123 T N 1.888 116.456 114.554 0.023 0.000 2.853 123 T HA 0.500 4.852 4.350 0.003 0.000 0.298 123 T C 0.128 174.846 174.700 0.029 0.000 0.978 123 T CA 1.325 63.441 62.100 0.027 0.000 1.152 123 T CB 1.528 70.417 68.868 0.034 0.000 0.914 123 T HN 0.696 nan 8.240 nan 0.000 0.539 124 T N 0.779 115.349 114.554 0.027 0.000 2.916 124 T HA 0.579 4.931 4.350 0.003 0.000 0.305 124 T C 0.679 175.397 174.700 0.030 0.000 1.119 124 T CA -0.337 61.779 62.100 0.028 0.000 1.008 124 T CB 1.203 70.082 68.868 0.019 0.000 1.129 124 T HN 0.502 nan 8.240 nan 0.000 0.480 125 A N 2.505 125.350 122.820 0.042 0.000 2.238 125 A HA 0.255 4.577 4.320 0.003 0.000 0.210 125 A C 1.734 179.333 177.584 0.026 0.000 1.179 125 A CA 1.035 53.100 52.037 0.047 0.000 0.827 125 A CB -0.534 18.519 19.000 0.089 0.000 0.856 125 A HN 0.907 nan 8.150 nan 0.000 0.488 126 E N 1.612 121.823 120.200 0.018 0.000 2.086 126 E HA -0.225 4.127 4.350 0.003 0.000 0.205 126 E C 0.760 177.352 176.600 -0.013 0.000 1.027 126 E CA 1.950 58.354 56.400 0.006 0.000 0.830 126 E CB -0.178 29.525 29.700 0.004 0.000 0.751 126 E HN 0.489 nan 8.360 nan 0.000 0.456 127 N N -0.083 118.600 118.700 -0.028 0.000 2.346 127 N HA 0.150 4.892 4.740 0.003 0.000 0.225 127 N C -0.809 174.636 175.510 -0.108 0.000 1.144 127 N CA 0.150 53.166 53.050 -0.057 0.000 0.837 127 N CB 0.148 38.604 38.487 -0.052 0.000 1.069 127 N HN 0.169 nan 8.380 nan 0.000 0.487 128 L N 0.376 121.539 121.223 -0.100 0.000 2.334 128 L HA 0.420 4.762 4.340 0.003 0.000 0.270 128 L C 0.853 177.633 176.870 -0.151 0.000 1.018 128 L CA -1.170 53.560 54.840 -0.183 0.000 0.811 128 L CB 1.354 43.361 42.059 -0.088 0.000 1.271 128 L HN 0.040 nan 8.230 nan 0.000 0.443 129 K N 0.261 120.522 120.400 -0.232 0.000 2.156 129 K HA 0.185 4.507 4.320 0.003 0.000 0.242 129 K C -0.393 176.196 176.600 -0.019 0.000 1.033 129 K CA -0.596 55.614 56.287 -0.128 0.000 0.878 129 K CB 0.439 32.841 32.500 -0.163 0.000 1.057 129 K HN 0.416 nan 8.250 nan 0.000 0.505 130 E N 0.756 120.964 120.200 0.014 0.000 2.459 130 E HA -0.126 4.226 4.350 0.003 0.000 0.264 130 E C -0.423 176.256 176.600 0.131 0.000 1.055 130 E CA 0.683 57.126 56.400 0.072 0.000 0.957 130 E CB 0.150 29.891 29.700 0.068 0.000 0.952 130 E HN 0.690 nan 8.360 nan 0.000 0.448 131 E N -1.168 119.161 120.200 0.215 0.000 3.799 131 E HA -0.213 4.139 4.350 0.003 0.000 0.320 131 E C 0.358 177.260 176.600 0.504 0.000 0.760 131 E CA 0.501 57.144 56.400 0.406 0.000 1.153 131 E CB -1.509 28.491 29.700 0.500 0.000 1.589 131 E HN 0.636 nan 8.360 nan 0.000 0.448 132 G N 0.313 109.306 108.800 0.322 0.000 2.476 132 G HA2 0.456 4.418 3.960 0.003 0.000 0.269 132 G HA3 0.456 4.418 3.960 0.003 0.000 0.269 132 G C -0.404 174.726 174.900 0.383 0.000 1.195 132 G CA 0.163 45.455 45.100 0.319 0.000 0.843 132 G HN 0.230 nan 8.290 nan 0.000 0.545 133 Y N -1.674 118.778 120.300 0.253 0.000 2.625 133 Y HA 0.772 5.324 4.550 0.003 0.000 0.338 133 Y C -0.406 175.588 175.900 0.156 0.000 1.123 133 Y CA -1.672 56.539 58.100 0.185 0.000 1.046 133 Y CB 1.223 39.798 38.460 0.191 0.000 1.299 133 Y HN 0.806 nan 8.280 nan 0.000 0.464 134 A N 2.712 125.657 122.820 0.209 0.000 2.355 134 A HA 0.779 5.101 4.320 0.003 0.000 0.317 134 A C -1.936 175.809 177.584 0.268 0.000 1.094 134 A CA -0.833 51.280 52.037 0.126 0.000 0.764 134 A CB 1.397 20.445 19.000 0.080 0.000 1.230 134 A HN 1.044 nan 8.150 nan 0.000 0.448 135 L N 2.867 124.235 121.223 0.241 0.000 2.410 135 L HA 0.817 5.159 4.340 0.003 0.000 0.270 135 L C -1.744 175.209 176.870 0.138 0.000 0.983 135 L CA -0.652 54.317 54.840 0.216 0.000 0.822 135 L CB 2.086 44.322 42.059 0.295 0.000 1.285 135 L HN 0.450 nan 8.230 nan 0.000 0.409 136 V N 3.187 123.165 119.914 0.107 0.000 2.524 136 V HA 0.450 4.572 4.120 0.003 0.000 0.297 136 V C -0.412 175.752 176.094 0.117 0.000 1.035 136 V CA -0.433 61.926 62.300 0.098 0.000 0.867 136 V CB 1.983 33.850 31.823 0.074 0.000 1.004 136 V HN 0.817 nan 8.190 nan 0.000 0.426 137 S N 4.138 119.931 115.700 0.155 0.000 2.520 137 S HA 0.589 5.061 4.470 0.003 0.000 0.324 137 S C -0.664 174.120 174.600 0.306 0.000 1.069 137 S CA -0.628 57.725 58.200 0.256 0.000 1.121 137 S CB 0.828 64.173 63.200 0.242 0.000 0.971 137 S HN 0.763 nan 8.310 nan 0.000 0.463 138 N N 3.063 121.914 118.700 0.252 0.000 2.287 138 N HA 0.110 4.852 4.740 0.003 0.000 0.289 138 N C -1.361 174.096 175.510 -0.088 0.000 1.066 138 N CA -0.472 52.654 53.050 0.126 0.000 0.841 138 N CB 1.557 40.081 38.487 0.061 0.000 1.599 138 N HN 0.887 nan 8.380 nan 0.000 0.476 139 D N 3.085 123.399 120.400 -0.143 0.000 3.939 139 D HA -0.212 4.430 4.640 0.003 0.000 0.187 139 D C 0.794 176.731 176.300 -0.605 0.000 1.256 139 D CA 1.675 55.467 54.000 -0.347 0.000 0.750 139 D CB -1.443 39.269 40.800 -0.147 0.000 0.973 139 D HN 0.957 nan 8.370 nan 0.000 0.481 140 G N 1.296 109.252 108.800 -1.407 0.000 2.176 140 G HA2 -0.308 3.654 3.960 0.003 0.000 0.253 140 G HA3 -0.308 3.654 3.960 0.003 0.000 0.253 140 G C 0.158 174.748 174.900 -0.517 0.000 0.979 140 G CA 0.614 45.114 45.100 -0.999 0.000 0.641 140 G HN 0.985 nan 8.290 nan 0.000 0.530 141 K N -0.429 119.746 120.400 -0.374 0.000 2.426 141 K HA 0.816 5.138 4.320 0.003 0.000 0.251 141 K C -1.045 175.632 176.600 0.127 0.000 0.941 141 K CA -1.282 54.974 56.287 -0.051 0.000 0.808 141 K CB 2.329 34.794 32.500 -0.057 0.000 1.265 141 K HN 0.185 nan 8.250 nan 0.000 0.432 142 I N 1.599 122.236 120.570 0.110 0.000 2.447 142 I HA 0.412 4.584 4.170 0.003 0.000 0.287 142 I C -0.834 175.265 176.117 -0.030 0.000 1.023 142 I CA -0.758 60.586 61.300 0.073 0.000 1.083 142 I CB 2.094 40.111 38.000 0.029 0.000 1.245 142 I HN 0.836 nan 8.210 nan 0.000 0.434 143 A N 7.596 130.414 122.820 -0.003 0.000 2.318 143 A HA 0.894 5.216 4.320 0.003 0.000 0.324 143 A C -0.650 176.931 177.584 -0.005 0.000 1.170 143 A CA -0.453 51.576 52.037 -0.013 0.000 0.810 143 A CB 0.723 19.731 19.000 0.014 0.000 1.198 143 A HN 0.691 nan 8.150 nan 0.000 0.484 144 I N 1.882 122.437 120.570 -0.025 0.000 2.411 144 I HA 0.328 4.500 4.170 0.003 0.000 0.284 144 I C -0.197 175.947 176.117 0.045 0.000 1.012 144 I CA -0.037 61.268 61.300 0.008 0.000 1.119 144 I CB 1.760 39.713 38.000 -0.078 0.000 1.261 144 I HN 0.781 nan 8.210 nan 0.000 0.448 145 E N 5.457 125.724 120.200 0.110 0.000 2.186 145 E HA 0.481 4.833 4.350 0.003 0.000 0.255 145 E C -0.204 176.500 176.600 0.173 0.000 0.881 145 E CA -0.552 55.912 56.400 0.108 0.000 0.752 145 E CB 1.584 31.334 29.700 0.084 0.000 1.176 145 E HN 0.765 nan 8.360 nan 0.000 0.421 146 G N 2.933 111.825 108.800 0.153 0.000 2.503 146 G HA2 -0.006 3.956 3.960 0.003 0.000 0.257 146 G HA3 -0.006 3.956 3.960 0.003 0.000 0.257 146 G C 0.662 175.651 174.900 0.149 0.000 1.214 146 G CA -0.310 44.909 45.100 0.198 0.000 0.839 146 G HN 0.509 nan 8.290 nan 0.000 0.559 147 K N -0.079 120.419 120.400 0.163 0.000 2.097 147 K HA -0.014 4.308 4.320 0.003 0.000 0.205 147 K C 0.585 177.237 176.600 0.088 0.000 1.050 147 K CA 1.799 58.150 56.287 0.107 0.000 0.938 147 K CB 0.076 32.636 32.500 0.101 0.000 0.718 147 K HN 0.719 nan 8.250 nan 0.000 0.442 148 D N -4.292 116.171 120.400 0.104 0.000 2.752 148 D HA 0.246 4.888 4.640 0.003 0.000 0.313 148 D C 1.119 177.460 176.300 0.068 0.000 1.225 148 D CA -0.200 53.845 54.000 0.075 0.000 0.976 148 D CB 0.021 40.862 40.800 0.069 0.000 1.443 148 D HN -0.062 nan 8.370 nan 0.000 0.515 149 G N -0.270 108.552 108.800 0.037 0.000 2.476 149 G HA2 -0.301 3.662 3.960 0.003 0.000 0.218 149 G HA3 -0.301 3.662 3.960 0.003 0.000 0.218 149 G C 0.863 175.755 174.900 -0.013 0.000 1.164 149 G CA 1.286 46.393 45.100 0.012 0.000 0.768 149 G HN 0.568 nan 8.290 nan 0.000 0.560 150 D N 0.632 121.011 120.400 -0.035 0.000 2.123 150 D HA -0.095 4.547 4.640 0.003 0.000 0.196 150 D C 2.635 178.860 176.300 -0.126 0.000 0.992 150 D CA 1.394 55.304 54.000 -0.149 0.000 0.833 150 D CB -0.677 40.109 40.800 -0.025 0.000 0.954 150 D HN 0.364 nan 8.370 nan 0.000 0.455 151 G N 0.099 108.978 108.800 0.131 0.000 2.421 151 G HA2 -0.191 3.771 3.960 0.003 0.000 0.217 151 G HA3 -0.191 3.771 3.960 0.003 0.000 0.217 151 G C 1.705 176.731 174.900 0.210 0.000 1.143 151 G CA 1.163 46.459 45.100 0.326 0.000 0.784 151 G HN 0.214 nan 8.290 nan 0.000 0.541 152 T N 0.856 115.473 114.554 0.104 0.000 2.737 152 T HA -0.123 4.229 4.350 0.003 0.000 0.265 152 T C 1.927 176.605 174.700 -0.038 0.000 1.038 152 T CA 1.069 63.192 62.100 0.038 0.000 1.144 152 T CB -0.336 68.556 68.868 0.040 0.000 0.866 152 T HN 0.253 nan 8.240 nan 0.000 0.434 153 F N 1.122 120.956 119.950 -0.194 0.000 2.120 153 F HA -0.216 4.313 4.527 0.004 0.000 0.300 153 F C 1.929 177.585 175.800 -0.240 0.000 1.095 153 F CA 1.303 59.154 58.000 -0.249 0.000 1.249 153 F CB -0.390 38.398 39.000 -0.353 0.000 0.995 153 F HN 0.138 nan 8.300 nan 0.000 0.480 154 Y N 0.475 120.729 120.300 -0.077 0.000 2.314 154 Y HA 0.073 4.625 4.550 0.003 0.000 0.293 154 Y C 2.682 178.116 175.900 -0.776 0.000 1.129 154 Y CA 0.531 58.439 58.100 -0.320 0.000 1.201 154 Y CB -1.507 36.942 38.460 -0.018 0.000 0.999 154 Y HN 0.120 nan 8.280 nan 0.000 0.541 155 G N -0.161 108.156 108.800 -0.805 0.000 2.446 155 G HA2 -0.239 3.723 3.960 0.003 0.000 0.217 155 G HA3 -0.239 3.723 3.960 0.003 0.000 0.217 155 G C 1.877 176.505 174.900 -0.453 0.000 1.168 155 G CA 1.549 46.080 45.100 -0.949 0.000 0.771 155 G HN 0.286 nan 8.290 nan 0.000 0.551 156 V N 0.576 120.277 119.914 -0.355 0.000 2.343 156 V HA -0.203 3.919 4.120 0.003 0.000 0.247 156 V C 3.040 178.945 176.094 -0.315 0.000 1.051 156 V CA 1.962 64.106 62.300 -0.259 0.000 1.036 156 V CB -0.405 31.245 31.823 -0.289 0.000 0.654 156 V HN 0.306 nan 8.190 nan 0.000 0.451 157 Q N -0.089 119.438 119.800 -0.456 0.000 2.084 157 Q HA -0.167 4.175 4.340 0.003 0.000 0.202 157 Q C 2.363 178.161 176.000 -0.337 0.000 0.978 157 Q CA 2.251 57.801 55.803 -0.421 0.000 0.844 157 Q CB -1.063 27.433 28.738 -0.403 0.000 0.898 157 Q HN 0.672 nan 8.270 nan 0.000 0.426 158 T N 1.319 115.691 114.554 -0.304 0.000 2.777 158 T HA -0.112 4.240 4.350 0.003 0.000 0.266 158 T C 1.500 176.112 174.700 -0.147 0.000 1.040 158 T CA 1.070 63.055 62.100 -0.192 0.000 1.141 158 T CB -0.444 68.374 68.868 -0.083 0.000 0.868 158 T HN 0.253 nan 8.240 nan 0.000 0.444 159 F N 2.508 122.284 119.950 -0.289 0.000 2.095 159 F HA -0.120 4.409 4.527 0.003 0.000 0.298 159 F C 2.061 177.613 175.800 -0.412 0.000 1.104 159 F CA 1.315 59.147 58.000 -0.281 0.000 1.232 159 F CB -0.356 38.483 39.000 -0.269 0.000 0.987 159 F HN -0.010 nan 8.300 nan 0.000 0.475 160 K N -0.143 119.782 120.400 -0.791 0.000 2.063 160 K HA -0.225 4.097 4.320 0.003 0.000 0.208 160 K C 2.111 178.323 176.600 -0.647 0.000 1.048 160 K CA 2.059 57.624 56.287 -1.203 0.000 0.928 160 K CB -0.348 31.582 32.500 -0.951 0.000 0.713 160 K HN 0.473 nan 8.250 nan 0.000 0.442 161 Q N 0.352 119.915 119.800 -0.395 0.000 2.172 161 Q HA -0.021 4.321 4.340 0.003 0.000 0.200 161 Q C 2.081 177.960 176.000 -0.201 0.000 0.964 161 Q CA 0.734 56.400 55.803 -0.229 0.000 0.855 161 Q CB 0.063 28.698 28.738 -0.170 0.000 0.918 161 Q HN 0.288 nan 8.270 nan 0.000 0.444 162 L N 0.246 121.326 121.223 -0.239 0.000 2.141 162 L HA -0.051 4.291 4.340 0.003 0.000 0.209 162 L C 0.632 177.379 176.870 -0.204 0.000 1.094 162 L CA 0.225 54.959 54.840 -0.177 0.000 0.763 162 L CB 0.127 42.118 42.059 -0.114 0.000 0.908 162 L HN -0.005 nan 8.230 nan 0.000 0.437 163 V N 1.377 121.103 119.914 -0.313 0.000 2.508 163 V HA 0.085 4.207 4.120 0.003 0.000 0.281 163 V C 0.321 176.352 176.094 -0.105 0.000 1.041 163 V CA 0.008 62.171 62.300 -0.228 0.000 1.016 163 V CB 0.970 32.632 31.823 -0.268 0.000 0.984 163 V HN 0.062 nan 8.190 nan 0.000 0.478 164 K N 4.201 124.548 120.400 -0.088 0.000 2.559 164 K HA 0.278 4.600 4.320 0.003 0.000 0.249 164 K C 0.002 176.570 176.600 -0.053 0.000 0.958 164 K CA -0.391 55.861 56.287 -0.059 0.000 0.901 164 K CB 1.011 33.477 32.500 -0.057 0.000 1.124 164 K HN 0.757 nan 8.250 nan 0.000 0.437 165 E N 1.693 121.864 120.200 -0.047 0.000 2.389 165 E HA -0.226 4.126 4.350 0.003 0.000 0.243 165 E C -0.273 176.302 176.600 -0.042 0.000 1.154 165 E CA 1.058 57.431 56.400 -0.046 0.000 0.723 165 E CB -1.547 28.130 29.700 -0.038 0.000 1.261 165 E HN 0.848 nan 8.360 nan 0.000 0.390 166 S N -2.545 113.129 115.700 -0.043 0.000 2.206 166 S HA -0.220 4.253 4.470 0.003 0.000 0.241 166 S C 0.398 174.964 174.600 -0.056 0.000 1.163 166 S CA 1.530 59.713 58.200 -0.029 0.000 1.532 166 S CB -0.597 62.598 63.200 -0.008 0.000 1.946 166 S HN 0.455 nan 8.310 nan 0.000 0.590 167 N N 1.328 119.986 118.700 -0.070 0.000 2.497 167 N HA 0.521 5.263 4.740 0.003 0.000 0.268 167 N C -0.393 175.020 175.510 -0.162 0.000 1.171 167 N CA 0.332 53.319 53.050 -0.107 0.000 0.948 167 N CB 0.695 39.140 38.487 -0.069 0.000 1.069 167 N HN 0.660 nan 8.380 nan 0.000 0.460 168 I N 2.779 123.185 120.570 -0.274 0.000 2.647 168 I HA 0.448 4.620 4.170 0.003 0.000 0.295 168 I C -2.462 173.496 176.117 -0.266 0.000 1.078 168 I CA -2.445 58.684 61.300 -0.285 0.000 1.048 168 I CB 2.876 40.668 38.000 -0.347 0.000 1.239 168 I HN 0.310 nan 8.210 nan 0.000 0.421 169 P HA 0.192 nan 4.420 nan 0.000 0.276 169 P C -1.361 175.918 177.300 -0.035 0.000 1.244 169 P CA -0.211 62.846 63.100 -0.071 0.000 0.801 169 P CB 0.640 32.320 31.700 -0.034 0.000 1.006 170 E N 0.130 120.355 120.200 0.042 0.000 2.167 170 E HA 0.388 4.740 4.350 0.003 0.000 0.284 170 E C -0.316 176.335 176.600 0.085 0.000 1.016 170 E CA -0.646 55.824 56.400 0.116 0.000 0.817 170 E CB 0.951 30.758 29.700 0.177 0.000 1.080 170 E HN 0.275 nan 8.360 nan 0.000 0.397 171 V N 0.575 120.545 119.914 0.092 0.000 3.147 171 V HA 0.572 4.694 4.120 0.003 0.000 0.306 171 V C -1.043 175.098 176.094 0.078 0.000 1.209 171 V CA -1.205 61.138 62.300 0.072 0.000 1.023 171 V CB 2.407 34.266 31.823 0.061 0.000 1.059 171 V HN 0.443 nan 8.190 nan 0.000 0.435 172 N N 2.151 120.888 118.700 0.061 0.000 2.442 172 N HA 0.726 5.468 4.740 0.003 0.000 0.274 172 N C -1.141 174.399 175.510 0.049 0.000 1.002 172 N CA -0.202 52.883 53.050 0.058 0.000 0.910 172 N CB 1.785 40.299 38.487 0.046 0.000 1.244 172 N HN 0.816 nan 8.380 nan 0.000 0.492 173 I N 1.051 121.657 120.570 0.059 0.000 2.465 173 I HA 0.412 4.584 4.170 0.003 0.000 0.291 173 I C 0.012 176.114 176.117 -0.025 0.000 1.014 173 I CA -0.801 60.517 61.300 0.031 0.000 1.093 173 I CB 2.085 40.135 38.000 0.084 0.000 1.267 173 I HN 0.340 nan 8.210 nan 0.000 0.431 174 T N 0.437 114.951 114.554 -0.067 0.000 2.841 174 T HA 0.664 5.016 4.350 0.003 0.000 0.283 174 T C -1.005 173.584 174.700 -0.184 0.000 1.000 174 T CA -0.731 61.302 62.100 -0.112 0.000 0.977 174 T CB 2.519 71.388 68.868 0.002 0.000 0.979 174 T HN 0.488 nan 8.240 nan 0.000 0.446 175 D N 0.992 121.198 120.400 -0.324 0.000 2.736 175 D HA 0.611 5.253 4.640 0.003 0.000 0.223 175 D C -1.694 174.563 176.300 -0.073 0.000 1.231 175 D CA -0.376 53.443 54.000 -0.302 0.000 0.818 175 D CB 1.914 42.496 40.800 -0.363 0.000 1.587 175 D HN 0.761 nan 8.370 nan 0.000 0.463 176 Y N -1.111 119.070 120.300 -0.198 0.000 2.573 176 Y HA 0.568 5.120 4.550 0.003 0.000 0.328 176 Y C -3.048 172.105 175.900 -1.244 0.000 1.170 176 Y CA -1.968 55.827 58.100 -0.507 0.000 1.078 176 Y CB 0.904 39.186 38.460 -0.296 0.000 1.341 176 Y HN 0.044 nan 8.280 nan 0.000 0.459 177 P HA 0.172 nan 4.420 nan 0.000 0.279 177 P C 0.148 177.110 177.300 -0.563 0.000 1.239 177 P CA -0.024 62.232 63.100 -1.407 0.000 0.789 177 P CB 2.083 33.278 31.700 -0.841 0.000 0.933 178 T N 0.899 115.172 114.554 -0.468 0.000 2.701 178 T HA -0.006 4.346 4.350 0.003 0.000 0.263 178 T C 0.911 175.502 174.700 -0.182 0.000 1.040 178 T CA 1.109 63.058 62.100 -0.253 0.000 1.147 178 T CB -0.141 68.565 68.868 -0.270 0.000 0.865 178 T HN 0.207 nan 8.240 nan 0.000 0.426 179 V N 1.646 121.451 119.914 -0.182 0.000 2.427 179 V HA 0.304 4.426 4.120 0.003 0.000 0.286 179 V C 1.264 177.327 176.094 -0.053 0.000 1.034 179 V CA -0.277 61.971 62.300 -0.088 0.000 0.893 179 V CB 1.638 33.420 31.823 -0.069 0.000 0.982 179 V HN 0.334 nan 8.190 nan 0.000 0.452 180 S N 3.854 119.547 115.700 -0.011 0.000 2.383 180 S HA 0.049 4.521 4.470 0.003 0.000 0.227 180 S C 0.789 175.379 174.600 -0.017 0.000 1.026 180 S CA 1.046 59.248 58.200 0.004 0.000 0.981 180 S CB 0.018 63.243 63.200 0.042 0.000 0.818 180 S HN 1.007 nan 8.310 nan 0.000 0.472 181 A N 0.973 123.738 122.820 -0.091 0.000 2.330 181 A HA 0.802 5.124 4.320 0.003 0.000 0.313 181 A C -0.653 176.792 177.584 -0.231 0.000 1.124 181 A CA -0.864 50.995 52.037 -0.298 0.000 0.774 181 A CB 0.893 19.383 19.000 -0.850 0.000 1.198 181 A HN 0.509 nan 8.150 nan 0.000 0.465 182 R N 1.846 122.272 120.500 -0.123 0.000 2.514 182 R HA 0.711 5.053 4.340 0.003 0.000 0.296 182 R C 0.167 176.447 176.300 -0.033 0.000 1.012 182 R CA -0.139 55.972 56.100 0.019 0.000 0.897 182 R CB 2.299 32.660 30.300 0.101 0.000 1.184 182 R HN 1.165 nan 8.270 nan 0.000 0.440 183 G N 2.011 110.779 108.800 -0.054 0.000 2.393 183 G HA2 0.394 4.356 3.960 0.003 0.000 0.264 183 G HA3 0.394 4.356 3.960 0.003 0.000 0.264 183 G C -1.833 172.958 174.900 -0.181 0.000 1.221 183 G CA -0.542 44.466 45.100 -0.154 0.000 0.912 183 G HN 0.260 nan 8.290 nan 0.000 0.483 184 I N 0.141 120.593 120.570 -0.196 0.000 2.569 184 I HA 0.608 4.780 4.170 0.003 0.000 0.296 184 I C -0.244 175.836 176.117 -0.061 0.000 1.028 184 I CA -1.001 60.241 61.300 -0.097 0.000 1.082 184 I CB 2.001 40.001 38.000 0.001 0.000 1.264 184 I HN 0.391 nan 8.210 nan 0.000 0.429 185 V N 6.295 126.061 119.914 -0.246 0.000 2.370 185 V HA 0.388 4.510 4.120 0.003 0.000 0.283 185 V C 0.168 176.033 176.094 -0.382 0.000 1.023 185 V CA -0.320 61.714 62.300 -0.443 0.000 0.857 185 V CB 1.415 32.650 31.823 -0.981 0.000 0.985 185 V HN 0.846 nan 8.190 nan 0.000 0.443 186 E N 4.708 124.688 120.200 -0.368 0.000 1.979 186 E HA 0.327 4.679 4.350 0.003 0.000 0.285 186 E C 0.869 176.994 176.600 -0.792 0.000 1.188 186 E CA 0.313 56.395 56.400 -0.530 0.000 1.214 186 E CB 0.055 29.484 29.700 -0.451 0.000 1.210 186 E HN 0.946 nan 8.360 nan 0.000 0.477 187 G N 2.949 111.394 108.800 -0.592 0.000 3.651 187 G HA2 0.084 4.046 3.960 0.003 0.000 0.279 187 G HA3 0.084 4.046 3.960 0.003 0.000 0.279 187 G C -0.009 174.728 174.900 -0.270 0.000 1.024 187 G CA -0.443 44.445 45.100 -0.354 0.000 0.813 187 G HN 0.354 nan 8.290 nan 0.000 0.518 188 F N -0.384 119.453 119.950 -0.189 0.000 2.389 188 F HA 0.730 5.259 4.527 0.004 0.000 0.337 188 F C 0.122 175.822 175.800 -0.168 0.000 1.112 188 F CA -2.324 55.622 58.000 -0.089 0.000 1.192 188 F CB 0.362 39.304 39.000 -0.097 0.000 1.185 188 F HN -0.032 nan 8.300 nan 0.000 0.552 189 Y N 1.116 121.519 120.300 0.171 0.000 2.260 189 Y HA 0.541 5.093 4.550 0.003 0.000 0.339 189 Y C 1.096 177.115 175.900 0.198 0.000 1.317 189 Y CA 0.352 58.524 58.100 0.120 0.000 1.514 189 Y CB 0.477 39.010 38.460 0.122 0.000 1.382 189 Y HN 1.121 nan 8.280 nan 0.000 0.581 190 G N -0.608 108.384 108.800 0.318 0.000 2.610 190 G HA2 -0.173 3.789 3.960 0.003 0.000 0.304 190 G HA3 -0.173 3.789 3.960 0.003 0.000 0.304 190 G C -0.811 174.199 174.900 0.184 0.000 1.309 190 G CA -0.805 44.424 45.100 0.215 0.000 0.906 190 G HN 0.645 nan 8.290 nan 0.000 0.521 191 T N 3.842 118.476 114.554 0.134 0.000 2.800 191 T HA 0.386 4.738 4.350 0.003 0.000 0.283 191 T C -1.483 173.347 174.700 0.217 0.000 0.999 191 T CA 0.777 62.959 62.100 0.137 0.000 1.176 191 T CB 0.542 69.472 68.868 0.102 0.000 0.973 191 T HN 0.643 nan 8.240 nan 0.000 0.519 192 P HA 0.151 nan 4.420 nan 0.000 0.274 192 P C -0.181 177.359 177.300 0.399 0.000 1.237 192 P CA -0.781 62.464 63.100 0.240 0.000 0.793 192 P CB 0.579 32.347 31.700 0.115 0.000 0.977 193 W N 1.082 122.560 121.300 0.296 0.000 2.170 193 W HA 0.117 4.779 4.660 0.004 0.000 0.342 193 W C 1.270 177.894 176.519 0.176 0.000 1.294 193 W CA -0.109 57.368 57.345 0.220 0.000 1.246 193 W CB -0.731 28.892 29.460 0.271 0.000 1.156 193 W HN 0.338 nan 8.180 nan 0.000 0.572 194 T N -1.329 113.431 114.554 0.344 0.000 2.788 194 T HA 0.009 4.361 4.350 0.003 0.000 0.287 194 T C 1.104 175.973 174.700 0.282 0.000 1.007 194 T CA 0.101 62.355 62.100 0.256 0.000 1.005 194 T CB 0.925 69.889 68.868 0.161 0.000 1.012 194 T HN 0.491 nan 8.240 nan 0.000 0.530 195 H N 0.642 119.808 119.070 0.160 0.000 2.319 195 H HA -0.092 4.466 4.556 0.003 0.000 0.297 195 H C 2.223 177.601 175.328 0.083 0.000 1.097 195 H CA 2.320 58.452 56.048 0.139 0.000 1.285 195 H CB -0.137 29.686 29.762 0.101 0.000 1.368 195 H HN 0.523 nan 8.280 nan 0.000 0.495 196 Q N 0.297 120.116 119.800 0.031 0.000 2.124 196 Q HA -0.120 4.222 4.340 0.003 0.000 0.202 196 Q C 1.830 177.754 176.000 -0.126 0.000 0.977 196 Q CA 1.338 57.094 55.803 -0.079 0.000 0.850 196 Q CB -0.209 28.512 28.738 -0.028 0.000 0.901 196 Q HN 0.638 nan 8.270 nan 0.000 0.429 197 D N 0.300 120.643 120.400 -0.094 0.000 2.097 197 D HA -0.131 4.511 4.640 0.003 0.000 0.195 197 D C 2.034 178.166 176.300 -0.281 0.000 0.989 197 D CA 0.957 54.813 54.000 -0.240 0.000 0.827 197 D CB -0.128 40.511 40.800 -0.268 0.000 0.966 197 D HN 0.198 nan 8.370 nan 0.000 0.456 198 R N 0.092 120.560 120.500 -0.052 0.000 2.081 198 R HA -0.020 4.322 4.340 0.003 0.000 0.235 198 R C 2.571 178.764 176.300 -0.179 0.000 1.131 198 R CA 0.619 56.733 56.100 0.023 0.000 0.960 198 R CB -0.293 30.191 30.300 0.305 0.000 0.856 198 R HN 0.207 nan 8.270 nan 0.000 0.436 199 L N 0.033 121.123 121.223 -0.222 0.000 2.093 199 L HA -0.183 4.159 4.340 0.003 0.000 0.208 199 L C 2.047 178.778 176.870 -0.231 0.000 1.085 199 L CA 1.441 56.139 54.840 -0.237 0.000 0.755 199 L CB -0.387 41.510 42.059 -0.269 0.000 0.904 199 L HN 0.219 nan 8.230 nan 0.000 0.435 200 D N -1.015 119.237 120.400 -0.247 0.000 2.117 200 D HA -0.204 4.438 4.640 0.003 0.000 0.198 200 D C 2.278 178.389 176.300 -0.314 0.000 0.982 200 D CA 0.913 54.767 54.000 -0.243 0.000 0.828 200 D CB 0.226 40.875 40.800 -0.252 0.000 0.967 200 D HN 0.137 nan 8.370 nan 0.000 0.464 201 Q N 0.055 119.575 119.800 -0.467 0.000 2.050 201 Q HA -0.126 4.216 4.340 0.003 0.000 0.202 201 Q C 2.589 177.935 176.000 -1.090 0.000 0.980 201 Q CA 0.888 56.257 55.803 -0.724 0.000 0.840 201 Q CB -0.295 28.006 28.738 -0.727 0.000 0.898 201 Q HN 0.499 nan 8.270 nan 0.000 0.424 202 I N 0.686 120.809 120.570 -0.744 0.000 2.208 202 I HA -0.308 3.864 4.170 0.003 0.000 0.245 202 I C 2.297 178.261 176.117 -0.254 0.000 1.097 202 I CA 1.252 62.249 61.300 -0.505 0.000 1.363 202 I CB -0.156 37.707 38.000 -0.229 0.000 1.051 202 I HN 0.101 nan 8.210 nan 0.000 0.413 203 K N 0.257 120.551 120.400 -0.175 0.000 2.032 203 K HA -0.218 4.104 4.320 0.003 0.000 0.209 203 K C 1.988 178.603 176.600 0.025 0.000 1.048 203 K CA 1.695 57.959 56.287 -0.038 0.000 0.927 203 K CB -0.464 32.017 32.500 -0.032 0.000 0.712 203 K HN 0.151 nan 8.250 nan 0.000 0.441 204 F N 0.208 120.044 119.950 -0.190 0.000 2.161 204 F HA -0.253 4.276 4.527 0.003 0.000 0.300 204 F C 1.528 177.374 175.800 0.077 0.000 1.089 204 F CA 1.394 59.342 58.000 -0.087 0.000 1.282 204 F CB -0.172 38.749 39.000 -0.130 0.000 1.010 204 F HN 0.054 nan 8.300 nan 0.000 0.485 205 Y N 0.333 120.649 120.300 0.028 0.000 2.114 205 Y HA -0.016 4.536 4.550 0.003 0.000 0.284 205 Y C 2.836 178.729 175.900 -0.010 0.000 1.143 205 Y CA 0.589 58.669 58.100 -0.033 0.000 1.135 205 Y CB -1.705 36.795 38.460 0.066 0.000 0.980 205 Y HN 0.076 nan 8.280 nan 0.000 0.499 206 G N -0.026 108.923 108.800 0.247 0.000 2.476 206 G HA2 -0.290 3.672 3.960 0.003 0.000 0.218 206 G HA3 -0.290 3.672 3.960 0.003 0.000 0.218 206 G C 1.519 176.575 174.900 0.260 0.000 1.164 206 G CA 1.224 46.550 45.100 0.377 0.000 0.768 206 G HN 0.470 nan 8.290 nan 0.000 0.560 207 E N 0.256 120.477 120.200 0.035 0.000 2.268 207 E HA -0.035 4.317 4.350 0.003 0.000 0.195 207 E C 1.433 177.889 176.600 -0.240 0.000 0.995 207 E CA 0.547 56.876 56.400 -0.120 0.000 0.836 207 E CB 0.029 29.655 29.700 -0.123 0.000 0.763 207 E HN 0.409 nan 8.360 nan 0.000 0.491 208 N N 0.214 118.733 118.700 -0.302 0.000 2.204 208 N HA 0.071 4.813 4.740 0.003 0.000 0.219 208 N C -0.633 174.651 175.510 -0.377 0.000 1.151 208 N CA 0.119 52.921 53.050 -0.414 0.000 0.867 208 N CB 0.769 38.899 38.487 -0.596 0.000 1.043 208 N HN 0.013 nan 8.380 nan 0.000 0.516 209 K N 0.378 120.612 120.400 -0.276 0.000 3.291 209 K HA -0.138 4.184 4.320 0.003 0.000 0.290 209 K C -0.692 175.785 176.600 -0.204 0.000 1.235 209 K CA 0.461 56.447 56.287 -0.503 0.000 0.848 209 K CB -1.717 30.060 32.500 -1.205 0.000 1.295 209 K HN 0.210 nan 8.250 nan 0.000 0.497 210 L N 1.792 123.020 121.223 0.008 0.000 2.275 210 L HA 0.221 4.563 4.340 0.003 0.000 0.288 210 L C 1.172 178.143 176.870 0.169 0.000 1.046 210 L CA -0.603 54.271 54.840 0.057 0.000 0.805 210 L CB 0.783 42.830 42.059 -0.020 0.000 1.193 210 L HN 0.194 nan 8.230 nan 0.000 0.426 211 N N 0.030 118.820 118.700 0.150 0.000 2.204 211 N HA 0.068 4.810 4.740 0.003 0.000 0.219 211 N C -0.420 175.162 175.510 0.119 0.000 1.151 211 N CA -0.327 52.838 53.050 0.191 0.000 0.867 211 N CB 0.857 39.486 38.487 0.237 0.000 1.043 211 N HN 0.385 nan 8.380 nan 0.000 0.516 212 T N 0.738 115.338 114.554 0.077 0.000 2.928 212 T HA 0.245 4.597 4.350 0.003 0.000 0.296 212 T C -2.213 172.577 174.700 0.151 0.000 1.000 212 T CA -0.442 61.692 62.100 0.056 0.000 0.989 212 T CB 1.415 70.204 68.868 -0.132 0.000 1.005 212 T HN 0.164 nan 8.240 nan 0.000 0.442 213 Y N 4.173 124.507 120.300 0.058 0.000 2.333 213 Y HA 0.572 5.125 4.550 0.004 0.000 0.324 213 Y C -1.316 174.563 175.900 -0.034 0.000 1.033 213 Y CA -1.868 56.282 58.100 0.085 0.000 1.224 213 Y CB 0.505 39.136 38.460 0.286 0.000 1.120 213 Y HN 0.615 nan 8.280 nan 0.000 0.457 214 I N 7.581 128.026 120.570 -0.208 0.000 2.308 214 I HA 0.086 4.258 4.170 0.003 0.000 0.293 214 I C -0.831 174.867 176.117 -0.699 0.000 1.078 214 I CA -0.646 60.410 61.300 -0.406 0.000 1.292 214 I CB 0.226 38.094 38.000 -0.220 0.000 1.423 214 I HN 0.590 nan 8.210 nan 0.000 0.493 215 Y N 7.266 126.908 120.300 -1.096 0.000 2.556 215 Y HA 0.510 5.062 4.550 0.003 0.000 0.352 215 Y C 0.277 175.630 175.900 -0.913 0.000 1.006 215 Y CA -0.604 56.859 58.100 -1.062 0.000 1.277 215 Y CB 0.597 38.345 38.460 -1.187 0.000 1.136 215 Y HN 0.614 nan 8.280 nan 0.000 0.523 216 A N 8.320 130.433 122.820 -1.178 0.000 3.464 216 A HA 0.361 4.683 4.320 0.003 0.000 0.243 216 A C -3.113 173.651 177.584 -1.366 0.000 1.100 216 A CA -1.040 50.136 52.037 -1.436 0.000 0.957 216 A CB -0.055 18.371 19.000 -0.957 0.000 1.340 216 A HN 0.472 nan 8.150 nan 0.000 0.645 217 P HA 0.276 nan 4.420 nan 0.000 0.281 217 P C 0.345 177.282 177.300 -0.604 0.000 1.249 217 P CA -0.265 62.304 63.100 -0.885 0.000 0.810 217 P CB 1.188 32.470 31.700 -0.698 0.000 1.008 218 K N 1.387 121.529 120.400 -0.431 0.000 2.280 218 K HA -0.112 4.210 4.320 0.003 0.000 0.202 218 K C 1.091 177.633 176.600 -0.098 0.000 1.047 218 K CA 1.359 57.520 56.287 -0.210 0.000 0.942 218 K CB -0.694 31.661 32.500 -0.242 0.000 0.739 218 K HN 0.610 nan 8.250 nan 0.000 0.457 219 D N 0.082 120.415 120.400 -0.112 0.000 2.340 219 D HA -0.080 4.562 4.640 0.003 0.000 0.220 219 D C -0.331 175.994 176.300 0.042 0.000 1.039 219 D CA 0.047 54.039 54.000 -0.014 0.000 0.866 219 D CB -0.010 40.802 40.800 0.019 0.000 0.913 219 D HN -0.138 nan 8.370 nan 0.000 0.523 220 D N 1.368 121.791 120.400 0.039 0.000 2.454 220 D HA 0.154 4.796 4.640 0.003 0.000 0.225 220 D C -1.547 174.852 176.300 0.164 0.000 1.081 220 D CA -2.242 51.862 54.000 0.174 0.000 0.864 220 D CB 2.046 42.990 40.800 0.241 0.000 1.040 220 D HN -0.097 nan 8.370 nan 0.000 0.517 221 P HA -0.155 nan 4.420 nan 0.000 0.220 221 P C 0.948 178.107 177.300 -0.236 0.000 1.148 221 P CA 0.866 63.864 63.100 -0.169 0.000 0.803 221 P CB 0.050 31.541 31.700 -0.348 0.000 0.782 222 Y N -0.527 119.789 120.300 0.027 0.000 2.639 222 Y HA -0.125 4.427 4.550 0.003 0.000 0.297 222 Y C 2.609 178.623 175.900 0.190 0.000 1.151 222 Y CA 1.257 59.314 58.100 -0.072 0.000 1.335 222 Y CB -1.154 36.950 38.460 -0.594 0.000 0.994 222 Y HN 0.291 nan 8.280 nan 0.000 0.548 223 H N -1.695 117.493 119.070 0.197 0.000 2.592 223 H HA 0.287 4.846 4.556 0.004 0.000 0.265 223 H C 1.967 177.278 175.328 -0.029 0.000 0.955 223 H CA 0.379 56.477 56.048 0.084 0.000 1.175 223 H CB 0.370 29.947 29.762 -0.308 0.000 1.433 223 H HN 0.130 nan 8.280 nan 0.000 0.537 224 R N 0.006 120.263 120.500 -0.404 0.000 4.494 224 R HA 0.044 4.386 4.340 0.003 0.000 0.124 224 R C 1.527 177.800 176.300 -0.045 0.000 1.588 224 R CA 0.507 56.376 56.100 -0.384 0.000 1.083 224 R CB 0.252 30.199 30.300 -0.588 0.000 1.313 224 R HN 0.248 nan 8.270 nan 0.000 0.426 225 E N 1.708 121.846 120.200 -0.104 0.000 2.204 225 E HA -0.166 4.186 4.350 0.003 0.000 0.195 225 E C 0.219 176.736 176.600 -0.139 0.000 0.990 225 E CA 1.234 57.586 56.400 -0.080 0.000 0.821 225 E CB 0.030 29.669 29.700 -0.102 0.000 0.750 225 E HN 0.344 nan 8.360 nan 0.000 0.477 226 K N 1.046 121.311 120.400 -0.225 0.000 2.861 226 K HA 0.111 4.433 4.320 0.003 0.000 0.210 226 K C 1.174 177.628 176.600 -0.243 0.000 1.112 226 K CA -0.343 55.744 56.287 -0.334 0.000 1.076 226 K CB 0.025 32.192 32.500 -0.554 0.000 0.853 226 K HN 0.254 nan 8.250 nan 0.000 0.463 227 W N 0.963 122.155 121.300 -0.180 0.000 2.350 227 W HA -0.190 4.471 4.660 0.003 0.000 0.289 227 W C 0.775 177.236 176.519 -0.096 0.000 1.215 227 W CA 0.527 57.803 57.345 -0.116 0.000 1.236 227 W CB -0.547 28.818 29.460 -0.158 0.000 1.130 227 W HN 0.047 nan 8.180 nan 0.000 0.541 228 R N 0.988 120.896 120.500 -0.988 0.000 2.189 228 R HA -0.025 4.317 4.340 0.003 0.000 0.223 228 R C 0.235 176.300 176.300 -0.391 0.000 1.092 228 R CA 0.902 56.450 56.100 -0.918 0.000 0.989 228 R CB -0.229 29.258 30.300 -1.355 0.000 0.876 228 R HN 0.215 nan 8.270 nan 0.000 0.457 229 E N 1.898 121.939 120.200 -0.265 0.000 2.130 229 E HA 0.149 4.501 4.350 0.003 0.000 0.284 229 E C -2.294 174.299 176.600 -0.013 0.000 1.018 229 E CA -2.414 53.927 56.400 -0.099 0.000 0.817 229 E CB 0.985 30.666 29.700 -0.031 0.000 1.078 229 E HN -0.013 nan 8.360 nan 0.000 0.396 230 P HA -0.161 nan 4.420 nan 0.000 0.267 230 P C -0.755 176.449 177.300 -0.160 0.000 1.201 230 P CA 0.370 63.443 63.100 -0.046 0.000 0.775 230 P CB 0.377 32.076 31.700 -0.002 0.000 0.854 231 Y N 2.451 122.627 120.300 -0.206 0.000 2.620 231 Y HA 0.039 4.591 4.550 0.004 0.000 0.330 231 Y C -0.887 174.838 175.900 -0.291 0.000 1.186 231 Y CA -0.796 57.053 58.100 -0.419 0.000 1.467 231 Y CB -0.779 37.503 38.460 -0.298 0.000 1.262 231 Y HN 0.352 nan 8.280 nan 0.000 0.550 232 P HA 0.003 nan 4.420 nan 0.000 0.274 232 P C 0.186 177.467 177.300 -0.033 0.000 1.246 232 P CA -0.225 62.829 63.100 -0.076 0.000 0.795 232 P CB 1.001 32.670 31.700 -0.051 0.000 1.006 233 E N 0.254 120.444 120.200 -0.016 0.000 2.204 233 E HA -0.086 4.266 4.350 0.003 0.000 0.195 233 E C 1.845 178.436 176.600 -0.016 0.000 0.990 233 E CA 1.180 57.571 56.400 -0.015 0.000 0.821 233 E CB -0.411 29.284 29.700 -0.009 0.000 0.750 233 E HN 0.393 nan 8.360 nan 0.000 0.477 234 S N 1.015 116.712 115.700 -0.005 0.000 2.419 234 S HA -0.094 4.378 4.470 0.003 0.000 0.233 234 S C 1.427 176.025 174.600 -0.003 0.000 1.016 234 S CA 0.820 59.022 58.200 0.003 0.000 0.974 234 S CB 0.060 63.276 63.200 0.027 0.000 0.786 234 S HN 0.207 nan 8.310 nan 0.000 0.492 235 E N 0.154 120.352 120.200 -0.003 0.000 2.481 235 E HA 0.236 4.588 4.350 0.003 0.000 0.198 235 E C 1.374 177.917 176.600 -0.095 0.000 1.027 235 E CA -0.057 56.344 56.400 0.000 0.000 0.900 235 E CB 0.011 29.785 29.700 0.123 0.000 0.993 235 E HN 0.407 nan 8.360 nan 0.000 0.482 236 M N 0.292 119.839 119.600 -0.088 0.000 2.086 236 M HA -0.140 4.342 4.480 0.003 0.000 0.261 236 M C 2.249 178.467 176.300 -0.138 0.000 1.067 236 M CA 1.572 56.797 55.300 -0.124 0.000 1.116 236 M CB -0.895 31.659 32.600 -0.076 0.000 1.348 236 M HN 0.131 nan 8.290 nan 0.000 0.407 237 Q N -0.130 119.609 119.800 -0.103 0.000 2.084 237 Q HA -0.186 4.156 4.340 0.003 0.000 0.202 237 Q C 2.255 178.187 176.000 -0.113 0.000 0.978 237 Q CA 1.556 57.303 55.803 -0.093 0.000 0.844 237 Q CB 0.002 28.700 28.738 -0.067 0.000 0.898 237 Q HN 0.371 nan 8.270 nan 0.000 0.426 238 R N -0.411 119.992 120.500 -0.161 0.000 2.082 238 R HA -0.179 4.163 4.340 0.003 0.000 0.234 238 R C 2.158 178.376 176.300 -0.136 0.000 1.136 238 R CA 1.861 57.806 56.100 -0.258 0.000 0.935 238 R CB -0.154 29.965 30.300 -0.301 0.000 0.842 238 R HN 0.293 nan 8.270 nan 0.000 0.430 239 M N 0.496 119.964 119.600 -0.220 0.000 2.108 239 M HA -0.185 4.297 4.480 0.003 0.000 0.261 239 M C 2.230 178.335 176.300 -0.326 0.000 1.066 239 M CA 1.641 56.738 55.300 -0.338 0.000 1.107 239 M CB -1.025 31.237 32.600 -0.563 0.000 1.356 239 M HN 0.170 nan 8.290 nan 0.000 0.406 240 Q N 0.587 120.241 119.800 -0.243 0.000 2.124 240 Q HA -0.134 4.208 4.340 0.003 0.000 0.202 240 Q C 1.779 177.677 176.000 -0.170 0.000 0.977 240 Q CA 1.626 57.302 55.803 -0.211 0.000 0.850 240 Q CB -0.135 28.514 28.738 -0.148 0.000 0.901 240 Q HN 0.552 nan 8.270 nan 0.000 0.429 241 E N -0.651 119.497 120.200 -0.086 0.000 2.110 241 E HA -0.162 4.190 4.350 0.003 0.000 0.193 241 E C 1.877 178.433 176.600 -0.073 0.000 0.988 241 E CA 1.121 57.508 56.400 -0.021 0.000 0.804 241 E CB -0.085 29.703 29.700 0.146 0.000 0.745 241 E HN 0.352 nan 8.360 nan 0.000 0.458 242 L N 0.375 121.538 121.223 -0.101 0.000 2.044 242 L HA -0.148 4.194 4.340 0.003 0.000 0.205 242 L C 2.430 179.086 176.870 -0.357 0.000 1.075 242 L CA 0.821 55.574 54.840 -0.146 0.000 0.747 242 L CB -0.381 41.623 42.059 -0.092 0.000 0.903 242 L HN 0.134 nan 8.230 nan 0.000 0.435 243 I N 0.188 120.362 120.570 -0.660 0.000 2.127 243 I HA -0.311 3.861 4.170 0.003 0.000 0.241 243 I C 2.300 178.245 176.117 -0.286 0.000 1.075 243 I CA 1.326 62.225 61.300 -0.668 0.000 1.334 243 I CB -0.472 37.156 38.000 -0.619 0.000 1.040 243 I HN 0.312 nan 8.210 nan 0.000 0.405 244 N N 1.164 119.737 118.700 -0.212 0.000 2.043 244 N HA -0.177 4.565 4.740 0.003 0.000 0.193 244 N C 1.910 177.363 175.510 -0.095 0.000 1.037 244 N CA 1.824 54.796 53.050 -0.130 0.000 0.851 244 N CB -0.687 37.737 38.487 -0.104 0.000 1.027 244 N HN 0.387 nan 8.380 nan 0.000 0.422 245 A N 0.488 123.256 122.820 -0.086 0.000 1.917 245 A HA -0.166 4.156 4.320 0.003 0.000 0.219 245 A C 2.468 180.031 177.584 -0.034 0.000 1.182 245 A CA 2.077 54.079 52.037 -0.059 0.000 0.633 245 A CB -0.874 18.086 19.000 -0.067 0.000 0.819 245 A HN 0.304 nan 8.150 nan 0.000 0.448 246 S N -0.166 115.534 115.700 -0.001 0.000 2.353 246 S HA -0.079 4.393 4.470 0.003 0.000 0.222 246 S C 2.380 176.984 174.600 0.006 0.000 1.035 246 S CA 1.362 59.610 58.200 0.079 0.000 1.025 246 S CB -0.656 62.685 63.200 0.236 0.000 0.902 246 S HN 0.857 nan 8.310 nan 0.000 0.440 247 A N 1.651 124.451 122.820 -0.033 0.000 1.873 247 A HA -0.216 4.106 4.320 0.003 0.000 0.218 247 A C 1.961 179.467 177.584 -0.130 0.000 1.193 247 A CA 1.851 53.845 52.037 -0.072 0.000 0.629 247 A CB -0.798 18.158 19.000 -0.074 0.000 0.826 247 A HN 0.583 nan 8.150 nan 0.000 0.447 248 E N -0.233 119.901 120.200 -0.109 0.000 2.267 248 E HA -0.132 4.221 4.350 0.003 0.000 0.197 248 E C 0.777 177.256 176.600 -0.201 0.000 0.998 248 E CA 1.008 57.338 56.400 -0.116 0.000 0.830 248 E CB -0.124 29.543 29.700 -0.054 0.000 0.751 248 E HN 0.585 nan 8.360 nan 0.000 0.491 249 N N 0.213 118.779 118.700 -0.222 0.000 2.214 249 N HA 0.016 4.758 4.740 0.003 0.000 0.214 249 N C -0.546 174.612 175.510 -0.586 0.000 1.132 249 N CA 0.070 52.927 53.050 -0.321 0.000 0.856 249 N CB 0.765 39.248 38.487 -0.006 0.000 1.020 249 N HN -0.087 nan 8.380 nan 0.000 0.509 250 K N -0.028 120.028 120.400 -0.573 0.000 3.069 250 K HA -0.115 4.207 4.320 0.003 0.000 0.267 250 K C -0.755 175.794 176.600 -0.084 0.000 1.082 250 K CA 0.303 56.339 56.287 -0.418 0.000 0.782 250 K CB -2.269 29.787 32.500 -0.741 0.000 1.230 250 K HN 0.031 nan 8.250 nan 0.000 0.488 251 V N 1.762 121.679 119.914 0.005 0.000 2.384 251 V HA 0.162 4.284 4.120 0.003 0.000 0.287 251 V C 0.362 176.561 176.094 0.175 0.000 1.020 251 V CA -0.883 61.506 62.300 0.149 0.000 0.850 251 V CB 1.753 33.715 31.823 0.231 0.000 0.987 251 V HN 0.072 nan 8.190 nan 0.000 0.436 252 D N 4.358 124.861 120.400 0.172 0.000 2.346 252 D HA 0.067 4.709 4.640 0.003 0.000 0.260 252 D C -0.217 176.230 176.300 0.244 0.000 1.252 252 D CA 0.164 54.271 54.000 0.179 0.000 0.895 252 D CB 0.734 41.615 40.800 0.135 0.000 1.097 252 D HN 0.407 nan 8.370 nan 0.000 0.489 253 F N 3.715 123.731 119.950 0.109 0.000 2.468 253 F HA 0.096 4.625 4.527 0.003 0.000 0.356 253 F C -0.252 175.562 175.800 0.024 0.000 1.167 253 F CA -0.502 57.554 58.000 0.093 0.000 1.135 253 F CB 0.323 39.357 39.000 0.057 0.000 1.197 253 F HN -0.009 nan 8.300 nan 0.000 0.569 254 V N 8.182 127.900 119.914 -0.327 0.000 2.364 254 V HA 0.106 4.228 4.120 0.003 0.000 0.272 254 V C -0.187 175.657 176.094 -0.417 0.000 1.036 254 V CA -0.712 61.453 62.300 -0.226 0.000 0.880 254 V CB 0.674 32.474 31.823 -0.038 0.000 0.991 254 V HN 0.559 nan 8.190 nan 0.000 0.460 255 F N 4.211 123.938 119.950 -0.372 0.000 2.421 255 F HA 0.638 5.167 4.527 0.003 0.000 0.358 255 F C 0.919 176.681 175.800 -0.063 0.000 1.115 255 F CA -0.254 57.627 58.000 -0.197 0.000 1.160 255 F CB 0.759 39.754 39.000 -0.008 0.000 1.123 255 F HN 0.541 nan 8.300 nan 0.000 0.508 256 G N 7.837 116.274 108.800 -0.604 0.000 2.319 256 G HA2 0.453 4.415 3.960 0.003 0.000 0.308 256 G HA3 0.453 4.415 3.960 0.003 0.000 0.308 256 G C -1.159 173.455 174.900 -0.477 0.000 1.117 256 G CA -0.573 44.236 45.100 -0.484 0.000 0.903 256 G HN 0.758 nan 8.290 nan 0.000 0.436 257 I N 1.669 122.074 120.570 -0.275 0.000 2.412 257 I HA 0.444 4.616 4.170 0.003 0.000 0.296 257 I C -0.189 175.593 176.117 -0.558 0.000 0.987 257 I CA -0.644 60.508 61.300 -0.247 0.000 1.180 257 I CB 1.867 39.855 38.000 -0.020 0.000 1.340 257 I HN 0.333 nan 8.210 nan 0.000 0.455 258 S N 8.655 123.972 115.700 -0.638 0.000 2.406 258 S HA 0.326 4.798 4.470 0.003 0.000 0.224 258 S C -2.003 172.176 174.600 -0.702 0.000 1.426 258 S CA -0.880 56.941 58.200 -0.631 0.000 1.179 258 S CB 0.850 63.727 63.200 -0.539 0.000 1.042 258 S HN 0.545 nan 8.310 nan 0.000 0.479 259 P HA 0.114 nan 4.420 nan 0.000 0.249 259 P C 1.477 178.366 177.300 -0.685 0.000 1.229 259 P CA 0.204 62.396 63.100 -1.513 0.000 0.788 259 P CB -0.082 30.431 31.700 -1.978 0.000 1.072 260 G N 1.058 109.638 108.800 -0.367 0.000 2.448 260 G HA2 -0.260 3.702 3.960 0.003 0.000 0.219 260 G HA3 -0.260 3.702 3.960 0.003 0.000 0.219 260 G C 1.436 176.332 174.900 -0.006 0.000 1.127 260 G CA 0.238 45.303 45.100 -0.057 0.000 0.766 260 G HN 0.318 nan 8.290 nan 0.000 0.552 261 I N 1.106 121.648 120.570 -0.047 0.000 2.143 261 I HA -0.280 3.892 4.170 0.003 0.000 0.245 261 I C 1.607 177.768 176.117 0.073 0.000 1.068 261 I CA 2.604 63.916 61.300 0.020 0.000 1.326 261 I CB 0.183 38.194 38.000 0.018 0.000 1.028 261 I HN 0.403 nan 8.210 nan 0.000 0.412 262 D N -1.288 119.187 120.400 0.125 0.000 2.530 262 D HA 0.103 4.745 4.640 0.003 0.000 0.290 262 D C 0.437 176.839 176.300 0.170 0.000 1.398 262 D CA -0.405 53.683 54.000 0.147 0.000 0.848 262 D CB -1.005 39.880 40.800 0.141 0.000 1.279 262 D HN 0.324 nan 8.370 nan 0.000 0.483 263 I N 1.198 121.848 120.570 0.134 0.000 2.775 263 I HA 0.106 4.278 4.170 0.003 0.000 0.290 263 I C -0.144 175.880 176.117 -0.155 0.000 1.203 263 I CA 0.076 61.403 61.300 0.045 0.000 1.433 263 I CB 0.353 38.227 38.000 -0.210 0.000 1.354 263 I HN -0.156 nan 8.210 nan 0.000 0.579 264 R N 5.390 125.828 120.500 -0.105 0.000 2.536 264 R HA 0.422 4.764 4.340 0.003 0.000 0.279 264 R C -0.448 175.713 176.300 -0.231 0.000 1.001 264 R CA -0.077 55.963 56.100 -0.099 0.000 1.027 264 R CB 0.866 31.195 30.300 0.048 0.000 1.096 264 R HN 0.560 nan 8.270 nan 0.000 0.502 265 F N -1.394 118.645 119.950 0.148 0.000 2.699 265 F HA 0.289 4.817 4.527 0.002 0.000 0.295 265 F C 0.003 175.858 175.800 0.092 0.000 1.052 265 F CA -0.051 58.026 58.000 0.129 0.000 1.239 265 F CB 0.597 39.655 39.000 0.097 0.000 1.018 265 F HN 0.313 nan 8.300 nan 0.000 0.627 266 D N -0.070 120.480 120.400 0.251 0.000 2.217 266 D HA 0.475 5.117 4.640 0.003 0.000 0.248 266 D C 0.805 177.172 176.300 0.112 0.000 1.008 266 D CA 0.763 54.857 54.000 0.155 0.000 0.914 266 D CB 1.460 42.335 40.800 0.126 0.000 1.182 266 D HN 0.276 nan 8.370 nan 0.000 0.451 267 G N 1.900 110.750 108.800 0.082 0.000 2.601 267 G HA2 -0.301 3.661 3.960 0.003 0.000 0.261 267 G HA3 -0.301 3.661 3.960 0.003 0.000 0.261 267 G C 0.643 175.583 174.900 0.066 0.000 1.289 267 G CA 0.157 45.295 45.100 0.063 0.000 0.920 267 G HN 0.531 nan 8.290 nan 0.000 0.571 268 D N 0.246 120.678 120.400 0.054 0.000 2.144 268 D HA -0.010 4.632 4.640 0.003 0.000 0.199 268 D C 2.817 179.154 176.300 0.062 0.000 0.984 268 D CA 1.912 55.943 54.000 0.050 0.000 0.834 268 D CB -0.528 40.294 40.800 0.037 0.000 0.955 268 D HN 0.758 nan 8.370 nan 0.000 0.465 269 A N 0.965 123.826 122.820 0.068 0.000 1.933 269 A HA -0.055 4.267 4.320 0.003 0.000 0.218 269 A C 2.361 180.006 177.584 0.103 0.000 1.175 269 A CA 2.019 54.103 52.037 0.079 0.000 0.628 269 A CB -0.884 18.159 19.000 0.073 0.000 0.814 269 A HN 0.310 nan 8.150 nan 0.000 0.444 270 G N -0.878 107.990 108.800 0.113 0.000 2.403 270 G HA2 -0.107 3.855 3.960 0.003 0.000 0.216 270 G HA3 -0.107 3.855 3.960 0.003 0.000 0.216 270 G C 1.455 176.461 174.900 0.176 0.000 1.154 270 G CA 1.120 46.307 45.100 0.146 0.000 0.784 270 G HN 0.524 nan 8.290 nan 0.000 0.538 271 E N 0.660 120.942 120.200 0.136 0.000 2.047 271 E HA -0.082 4.270 4.350 0.003 0.000 0.191 271 E C 2.269 178.948 176.600 0.133 0.000 0.987 271 E CA 1.173 57.656 56.400 0.138 0.000 0.799 271 E CB -0.283 29.467 29.700 0.083 0.000 0.752 271 E HN 0.534 nan 8.360 nan 0.000 0.449 272 E N 0.059 120.301 120.200 0.070 0.000 2.085 272 E HA -0.255 4.097 4.350 0.003 0.000 0.194 272 E C 1.251 177.850 176.600 -0.001 0.000 0.994 272 E CA 1.626 58.009 56.400 -0.029 0.000 0.801 272 E CB -0.098 29.599 29.700 -0.005 0.000 0.743 272 E HN 0.235 nan 8.360 nan 0.000 0.453 273 D N -0.386 120.122 120.400 0.181 0.000 2.117 273 D HA -0.133 4.509 4.640 0.003 0.000 0.198 273 D C 1.607 178.125 176.300 0.362 0.000 0.982 273 D CA 0.669 54.864 54.000 0.326 0.000 0.828 273 D CB -0.410 40.580 40.800 0.316 0.000 0.967 273 D HN 0.212 nan 8.370 nan 0.000 0.464 274 F N 1.521 121.588 119.950 0.196 0.000 2.171 274 F HA -0.154 4.375 4.527 0.003 0.000 0.300 274 F C 1.859 177.758 175.800 0.165 0.000 1.090 274 F CA 1.060 59.181 58.000 0.203 0.000 1.293 274 F CB -0.054 39.051 39.000 0.174 0.000 1.013 274 F HN -0.126 nan 8.300 nan 0.000 0.486 275 N N -0.360 118.422 118.700 0.136 0.000 2.188 275 N HA -0.180 4.562 4.740 0.003 0.000 0.184 275 N C 1.816 177.272 175.510 -0.091 0.000 1.018 275 N CA 1.335 54.379 53.050 -0.010 0.000 0.858 275 N CB -0.795 37.673 38.487 -0.032 0.000 0.989 275 N HN 0.391 nan 8.380 nan 0.000 0.426 276 H N 0.914 119.977 119.070 -0.011 0.000 2.387 276 H HA -0.030 4.529 4.556 0.004 0.000 0.299 276 H C 2.213 177.531 175.328 -0.016 0.000 1.099 276 H CA 0.575 56.582 56.048 -0.069 0.000 1.315 276 H CB -0.379 29.264 29.762 -0.199 0.000 1.380 276 H HN 0.176 nan 8.280 nan 0.000 0.513 277 L N 0.216 121.554 121.223 0.191 0.000 2.046 277 L HA -0.172 4.170 4.340 0.003 0.000 0.208 277 L C 2.199 179.027 176.870 -0.070 0.000 1.077 277 L CA 0.819 55.734 54.840 0.124 0.000 0.747 277 L CB -0.175 41.844 42.059 -0.068 0.000 0.896 277 L HN 0.167 nan 8.230 nan 0.000 0.432 278 I N 0.029 120.467 120.570 -0.220 0.000 2.179 278 I HA -0.270 3.902 4.170 0.003 0.000 0.242 278 I C 2.748 178.756 176.117 -0.181 0.000 1.088 278 I CA 2.153 63.295 61.300 -0.264 0.000 1.357 278 I CB -1.597 36.272 38.000 -0.219 0.000 1.051 278 I HN 0.396 nan 8.210 nan 0.000 0.409 279 T N -1.203 113.305 114.554 -0.077 0.000 3.035 279 T HA -0.150 4.202 4.350 0.003 0.000 0.268 279 T C 1.845 176.538 174.700 -0.011 0.000 1.109 279 T CA 1.160 63.246 62.100 -0.024 0.000 1.119 279 T CB 0.031 68.904 68.868 0.009 0.000 0.900 279 T HN 0.056 nan 8.240 nan 0.000 0.503 280 K N 1.833 122.223 120.400 -0.016 0.000 2.031 280 K HA 0.352 4.674 4.320 0.003 0.000 0.205 280 K C 2.435 179.018 176.600 -0.028 0.000 1.049 280 K CA 1.365 57.653 56.287 0.002 0.000 0.939 280 K CB -1.087 31.450 32.500 0.061 0.000 0.717 280 K HN 0.356 nan 8.250 nan 0.000 0.438 281 A N 0.633 123.348 122.820 -0.175 0.000 1.933 281 A HA -0.153 4.169 4.320 0.003 0.000 0.218 281 A C 2.108 179.606 177.584 -0.142 0.000 1.175 281 A CA 1.972 53.760 52.037 -0.416 0.000 0.628 281 A CB -0.672 17.566 19.000 -1.269 0.000 0.814 281 A HN 0.552 nan 8.150 nan 0.000 0.444 282 E N 0.557 120.721 120.200 -0.060 0.000 2.072 282 E HA -0.112 4.240 4.350 0.003 0.000 0.191 282 E C 1.998 178.743 176.600 0.242 0.000 0.985 282 E CA 1.740 58.276 56.400 0.227 0.000 0.801 282 E CB -0.410 29.374 29.700 0.140 0.000 0.750 282 E HN 0.461 nan 8.360 nan 0.000 0.452 283 S N 0.483 116.265 115.700 0.136 0.000 2.359 283 S HA -0.196 4.276 4.470 0.003 0.000 0.223 283 S C 1.925 176.618 174.600 0.156 0.000 1.039 283 S CA 1.635 59.907 58.200 0.121 0.000 1.042 283 S CB -0.493 62.753 63.200 0.076 0.000 0.915 283 S HN 0.292 nan 8.310 nan 0.000 0.439 284 L N -0.508 120.830 121.223 0.192 0.000 2.141 284 L HA -0.066 4.276 4.340 0.003 0.000 0.209 284 L C 2.315 179.382 176.870 0.330 0.000 1.094 284 L CA 1.212 56.174 54.840 0.203 0.000 0.763 284 L CB -0.579 41.604 42.059 0.207 0.000 0.908 284 L HN 0.263 nan 8.230 nan 0.000 0.437 285 Y N 1.431 121.965 120.300 0.390 0.000 2.070 285 Y HA -0.319 4.233 4.550 0.004 0.000 0.280 285 Y C 2.326 178.341 175.900 0.192 0.000 1.148 285 Y CA 1.912 60.247 58.100 0.390 0.000 1.125 285 Y CB -0.252 38.479 38.460 0.451 0.000 0.975 285 Y HN 0.214 nan 8.280 nan 0.000 0.492 286 D N -0.251 120.313 120.400 0.275 0.000 2.271 286 D HA -0.223 4.419 4.640 0.003 0.000 0.207 286 D C 1.964 178.272 176.300 0.012 0.000 0.983 286 D CA 1.401 55.472 54.000 0.120 0.000 0.878 286 D CB -0.266 40.618 40.800 0.140 0.000 0.920 286 D HN 0.466 nan 8.370 nan 0.000 0.479 287 M N -1.219 118.385 119.600 0.006 0.000 2.558 287 M HA 0.082 4.564 4.480 0.003 0.000 0.255 287 M C 1.399 177.631 176.300 -0.114 0.000 1.113 287 M CA 0.940 56.202 55.300 -0.064 0.000 1.097 287 M CB 0.462 33.012 32.600 -0.084 0.000 1.426 287 M HN 0.202 nan 8.290 nan 0.000 0.488 288 G N 0.287 109.009 108.800 -0.130 0.000 2.184 288 G HA2 -0.179 3.783 3.960 0.003 0.000 0.206 288 G HA3 -0.179 3.783 3.960 0.003 0.000 0.206 288 G C 0.103 174.926 174.900 -0.129 0.000 0.995 288 G CA -0.274 44.725 45.100 -0.168 0.000 0.651 288 G HN 0.268 nan 8.290 nan 0.000 0.511 289 V N 0.889 120.774 119.914 -0.050 0.000 2.529 289 V HA 0.450 4.572 4.120 0.003 0.000 0.292 289 V C 1.458 177.585 176.094 0.055 0.000 1.028 289 V CA 0.690 62.994 62.300 0.008 0.000 1.074 289 V CB 1.331 33.149 31.823 -0.008 0.000 0.958 289 V HN 0.311 nan 8.190 nan 0.000 0.481 290 R N 1.723 122.246 120.500 0.039 0.000 2.419 290 R HA 0.280 4.622 4.340 0.003 0.000 0.235 290 R C 0.279 176.701 176.300 0.204 0.000 0.899 290 R CA 0.122 56.337 56.100 0.191 0.000 1.048 290 R CB 0.725 31.108 30.300 0.139 0.000 1.182 290 R HN 0.677 nan 8.270 nan 0.000 0.544 291 S N 0.115 115.804 115.700 -0.018 0.000 2.482 291 S HA 0.645 5.117 4.470 0.003 0.000 0.303 291 S C -1.173 173.308 174.600 -0.198 0.000 1.091 291 S CA -0.467 57.774 58.200 0.068 0.000 1.057 291 S CB 1.372 64.649 63.200 0.130 0.000 1.031 291 S HN 0.008 nan 8.310 nan 0.000 0.485 292 F N 1.100 121.253 119.950 0.338 0.000 2.565 292 F HA 0.748 5.278 4.527 0.004 0.000 0.313 292 F C 0.173 176.098 175.800 0.209 0.000 1.091 292 F CA -0.794 57.394 58.000 0.313 0.000 0.915 292 F CB 1.762 41.007 39.000 0.408 0.000 1.208 292 F HN 0.633 nan 8.300 nan 0.000 0.453 293 A N 3.201 126.200 122.820 0.299 0.000 2.371 293 A HA 0.893 5.215 4.320 0.003 0.000 0.311 293 A C -1.176 176.456 177.584 0.080 0.000 1.068 293 A CA -0.600 51.559 52.037 0.204 0.000 0.744 293 A CB 0.932 20.093 19.000 0.270 0.000 1.239 293 A HN 0.721 nan 8.150 nan 0.000 0.435 294 I N 2.557 123.125 120.570 -0.003 0.000 2.382 294 I HA 0.252 4.424 4.170 0.003 0.000 0.285 294 I C -1.011 174.931 176.117 -0.291 0.000 1.007 294 I CA -0.199 60.931 61.300 -0.285 0.000 1.142 294 I CB 1.000 38.696 38.000 -0.506 0.000 1.289 294 I HN 0.655 nan 8.210 nan 0.000 0.453 295 Y N 4.176 124.130 120.300 -0.576 0.000 2.319 295 Y HA 0.082 4.634 4.550 0.003 0.000 0.328 295 Y C 0.119 175.623 175.900 -0.660 0.000 1.133 295 Y CA -0.571 57.252 58.100 -0.462 0.000 1.265 295 Y CB 1.224 39.505 38.460 -0.298 0.000 1.218 295 Y HN 0.663 nan 8.280 nan 0.000 0.508 296 W N 1.315 122.633 121.300 0.030 0.000 2.846 296 W HA 0.045 4.706 4.660 0.003 0.000 0.391 296 W C 1.409 177.908 176.519 -0.033 0.000 1.011 296 W CA -0.433 56.877 57.345 -0.057 0.000 1.832 296 W CB 0.391 29.828 29.460 -0.039 0.000 1.151 296 W HN 0.621 nan 8.180 nan 0.000 0.582 297 D N 0.826 121.290 120.400 0.107 0.000 2.221 297 D HA -0.209 4.433 4.640 0.003 0.000 0.204 297 D C 0.864 177.223 176.300 0.099 0.000 0.982 297 D CA 1.690 55.737 54.000 0.077 0.000 0.857 297 D CB -0.407 40.294 40.800 -0.165 0.000 0.934 297 D HN 0.284 nan 8.370 nan 0.000 0.475 298 D N 0.443 120.891 120.400 0.081 0.000 2.538 298 D HA 0.094 4.736 4.640 0.003 0.000 0.231 298 D C 0.565 176.913 176.300 0.080 0.000 1.229 298 D CA -0.604 53.435 54.000 0.065 0.000 0.828 298 D CB -0.081 40.743 40.800 0.041 0.000 1.035 298 D HN 0.174 nan 8.370 nan 0.000 0.495 299 I N -0.019 120.631 120.570 0.133 0.000 2.499 299 I HA 0.219 4.391 4.170 0.003 0.000 0.296 299 I C 1.422 177.629 176.117 0.150 0.000 0.992 299 I CA -0.494 60.914 61.300 0.179 0.000 1.297 299 I CB 1.108 39.293 38.000 0.309 0.000 1.410 299 I HN -0.086 nan 8.210 nan 0.000 0.507 300 Q N 1.085 120.972 119.800 0.144 0.000 2.123 300 Q HA -0.059 4.283 4.340 0.003 0.000 0.196 300 Q C 0.171 176.253 176.000 0.137 0.000 0.958 300 Q CA 0.689 56.558 55.803 0.111 0.000 0.841 300 Q CB 0.198 28.988 28.738 0.085 0.000 0.915 300 Q HN 0.603 nan 8.270 nan 0.000 0.455 301 D N 2.190 122.716 120.400 0.210 0.000 2.441 301 D HA -0.030 4.612 4.640 0.003 0.000 0.243 301 D C -0.428 176.003 176.300 0.219 0.000 1.257 301 D CA 0.323 54.452 54.000 0.216 0.000 1.027 301 D CB 0.051 41.049 40.800 0.331 0.000 1.084 301 D HN -0.052 nan 8.370 nan 0.000 0.514 302 K N 1.959 122.423 120.400 0.106 0.000 2.737 302 K HA 0.091 4.413 4.320 0.003 0.000 0.251 302 K C -0.442 176.136 176.600 -0.035 0.000 1.280 302 K CA -0.193 56.138 56.287 0.072 0.000 1.219 302 K CB -0.159 32.349 32.500 0.013 0.000 1.587 302 K HN -0.006 nan 8.250 nan 0.000 0.279 303 S N 1.445 116.943 115.700 -0.337 0.000 2.466 303 S HA 0.245 4.717 4.470 0.003 0.000 0.313 303 S C 0.938 175.037 174.600 -0.834 0.000 1.078 303 S CA -0.485 57.428 58.200 -0.479 0.000 1.115 303 S CB 1.249 64.160 63.200 -0.481 0.000 1.006 303 S HN 0.621 nan 8.310 nan 0.000 0.487 304 A N 3.890 126.338 122.820 -0.621 0.000 1.917 304 A HA -0.106 4.216 4.320 0.003 0.000 0.219 304 A C 2.276 179.522 177.584 -0.563 0.000 1.182 304 A CA 2.040 53.595 52.037 -0.803 0.000 0.633 304 A CB -0.868 17.573 19.000 -0.932 0.000 0.819 304 A HN 0.848 nan 8.150 nan 0.000 0.448 305 A N -0.414 122.132 122.820 -0.457 0.000 1.902 305 A HA -0.156 4.166 4.320 0.003 0.000 0.217 305 A C 2.116 179.465 177.584 -0.392 0.000 1.181 305 A CA 1.836 53.654 52.037 -0.366 0.000 0.623 305 A CB -0.421 18.416 19.000 -0.272 0.000 0.818 305 A HN 0.560 nan 8.150 nan 0.000 0.443 306 K N -0.987 119.101 120.400 -0.521 0.000 2.057 306 K HA -0.134 4.188 4.320 0.003 0.000 0.207 306 K C 1.878 178.161 176.600 -0.529 0.000 1.049 306 K CA 1.615 57.517 56.287 -0.641 0.000 0.931 306 K CB -0.375 31.408 32.500 -1.196 0.000 0.714 306 K HN 0.768 nan 8.250 nan 0.000 0.440 307 H N -0.123 118.489 119.070 -0.763 0.000 2.293 307 H HA -0.079 4.479 4.556 0.003 0.000 0.300 307 H C 2.223 177.248 175.328 -0.505 0.000 1.082 307 H CA 0.739 56.186 56.048 -1.001 0.000 1.308 307 H CB -0.016 29.055 29.762 -1.151 0.000 1.375 307 H HN 0.258 nan 8.280 nan 0.000 0.495 308 A N 1.253 123.827 122.820 -0.410 0.000 1.933 308 A HA -0.226 4.096 4.320 0.003 0.000 0.218 308 A C 2.326 179.817 177.584 -0.155 0.000 1.175 308 A CA 1.606 53.380 52.037 -0.437 0.000 0.628 308 A CB -0.610 17.970 19.000 -0.700 0.000 0.814 308 A HN 0.513 nan 8.150 nan 0.000 0.444 309 Q N 0.205 119.917 119.800 -0.147 0.000 2.077 309 Q HA -0.171 4.171 4.340 0.003 0.000 0.206 309 Q C 1.930 177.974 176.000 0.073 0.000 0.989 309 Q CA 2.474 58.243 55.803 -0.058 0.000 0.853 309 Q CB -0.355 28.324 28.738 -0.097 0.000 0.907 309 Q HN 0.389 nan 8.270 nan 0.000 0.418 310 V N 1.481 121.516 119.914 0.202 0.000 2.343 310 V HA -0.271 3.851 4.120 0.003 0.000 0.247 310 V C 2.560 178.973 176.094 0.533 0.000 1.051 310 V CA 1.532 64.106 62.300 0.458 0.000 1.036 310 V CB -0.570 31.669 31.823 0.694 0.000 0.654 310 V HN 0.354 nan 8.190 nan 0.000 0.451 311 L N 0.057 121.548 121.223 0.447 0.000 2.017 311 L HA -0.190 4.152 4.340 0.003 0.000 0.208 311 L C 2.504 179.592 176.870 0.363 0.000 1.073 311 L CA 1.719 56.811 54.840 0.420 0.000 0.745 311 L CB -0.774 41.497 42.059 0.353 0.000 0.894 311 L HN 0.372 nan 8.230 nan 0.000 0.432 312 N N -0.203 118.628 118.700 0.218 0.000 2.120 312 N HA -0.173 4.569 4.740 0.003 0.000 0.188 312 N C 1.893 177.514 175.510 0.184 0.000 1.024 312 N CA 1.025 54.168 53.050 0.155 0.000 0.852 312 N CB -0.298 38.219 38.487 0.051 0.000 1.003 312 N HN 0.181 nan 8.380 nan 0.000 0.424 313 R N -0.408 120.198 120.500 0.177 0.000 2.120 313 R HA -0.071 4.271 4.340 0.003 0.000 0.234 313 R C 1.964 178.534 176.300 0.449 0.000 1.123 313 R CA 0.734 56.905 56.100 0.118 0.000 0.975 313 R CB -0.379 29.738 30.300 -0.305 0.000 0.866 313 R HN 0.225 nan 8.270 nan 0.000 0.446 314 F N 1.592 121.851 119.950 0.515 0.000 2.113 314 F HA -0.198 4.330 4.527 0.003 0.000 0.297 314 F C 2.088 178.072 175.800 0.307 0.000 1.103 314 F CA 1.901 60.165 58.000 0.441 0.000 1.248 314 F CB -0.454 38.724 39.000 0.296 0.000 0.999 314 F HN 0.041 nan 8.300 nan 0.000 0.475 315 N N 0.235 119.185 118.700 0.417 0.000 2.149 315 N HA -0.234 4.508 4.740 0.003 0.000 0.188 315 N C 1.745 177.324 175.510 0.115 0.000 1.019 315 N CA 1.677 54.882 53.050 0.258 0.000 0.857 315 N CB -0.199 38.443 38.487 0.258 0.000 0.997 315 N HN 0.397 nan 8.380 nan 0.000 0.426 316 E N 0.487 120.759 120.200 0.119 0.000 2.014 316 E HA -0.001 4.351 4.350 0.003 0.000 0.190 316 E C 1.525 178.142 176.600 0.029 0.000 0.980 316 E CA 1.209 57.647 56.400 0.062 0.000 0.807 316 E CB -0.141 29.596 29.700 0.060 0.000 0.770 316 E HN 0.399 nan 8.360 nan 0.000 0.451 317 E N -1.373 118.871 120.200 0.074 0.000 2.338 317 E HA -0.098 4.254 4.350 0.003 0.000 0.197 317 E C 1.090 177.686 176.600 -0.007 0.000 1.007 317 E CA 0.576 57.016 56.400 0.067 0.000 0.849 317 E CB 0.124 29.941 29.700 0.196 0.000 0.774 317 E HN 0.239 nan 8.360 nan 0.000 0.506 318 F N -1.082 118.674 119.950 -0.322 0.000 2.268 318 F HA 0.053 4.582 4.527 0.003 0.000 0.262 318 F C 1.802 177.370 175.800 -0.386 0.000 0.910 318 F CA 0.106 57.800 58.000 -0.509 0.000 1.142 318 F CB -0.174 38.197 39.000 -1.048 0.000 1.229 318 F HN -0.282 nan 8.300 nan 0.000 0.781 319 V N 1.803 121.528 119.914 -0.315 0.000 2.261 319 V HA -0.292 3.830 4.120 0.003 0.000 0.246 319 V C 2.176 178.171 176.094 -0.164 0.000 1.047 319 V CA 2.483 64.673 62.300 -0.183 0.000 1.015 319 V CB -0.688 31.216 31.823 0.134 0.000 0.642 319 V HN 0.258 nan 8.190 nan 0.000 0.446 320 K N 0.099 120.446 120.400 -0.088 0.000 2.148 320 K HA -0.019 4.303 4.320 0.003 0.000 0.204 320 K C 2.085 178.623 176.600 -0.104 0.000 1.050 320 K CA 1.277 57.530 56.287 -0.057 0.000 0.942 320 K CB -0.295 32.199 32.500 -0.010 0.000 0.724 320 K HN 0.474 nan 8.250 nan 0.000 0.446 321 A N 1.136 123.856 122.820 -0.167 0.000 2.167 321 A HA -0.047 4.275 4.320 0.003 0.000 0.214 321 A C 1.696 179.133 177.584 -0.246 0.000 1.151 321 A CA 0.959 52.892 52.037 -0.173 0.000 0.735 321 A CB 0.053 18.960 19.000 -0.154 0.000 0.802 321 A HN 0.009 nan 8.150 nan 0.000 0.467 322 K N -1.559 118.621 120.400 -0.367 0.000 2.166 322 K HA 0.138 4.460 4.320 0.003 0.000 0.201 322 K C 1.618 178.135 176.600 -0.137 0.000 1.052 322 K CA 1.049 57.103 56.287 -0.389 0.000 0.969 322 K CB -0.305 31.760 32.500 -0.725 0.000 0.761 322 K HN 0.666 nan 8.250 nan 0.000 0.459 323 G N 2.064 110.811 108.800 -0.088 0.000 2.299 323 G HA2 -0.274 3.688 3.960 0.003 0.000 0.237 323 G HA3 -0.274 3.688 3.960 0.003 0.000 0.237 323 G C 0.390 175.315 174.900 0.042 0.000 1.027 323 G CA 0.769 45.863 45.100 -0.010 0.000 0.619 323 G HN 0.452 nan 8.290 nan 0.000 0.513 324 D N 0.136 120.585 120.400 0.083 0.000 2.540 324 D HA 0.350 4.992 4.640 0.003 0.000 0.229 324 D C 0.503 176.911 176.300 0.180 0.000 1.250 324 D CA -0.009 54.065 54.000 0.123 0.000 0.817 324 D CB -0.027 40.845 40.800 0.120 0.000 1.060 324 D HN 0.393 nan 8.370 nan 0.000 0.508 325 V N 1.955 121.984 119.914 0.192 0.000 2.508 325 V HA 0.091 4.213 4.120 0.003 0.000 0.281 325 V C 0.965 177.210 176.094 0.251 0.000 1.041 325 V CA -0.477 61.993 62.300 0.284 0.000 1.016 325 V CB 0.956 32.930 31.823 0.253 0.000 0.984 325 V HN 0.024 nan 8.190 nan 0.000 0.478 326 K N 5.194 125.761 120.400 0.278 0.000 2.286 326 K HA 0.212 4.534 4.320 0.003 0.000 0.256 326 K C -2.241 174.530 176.600 0.285 0.000 0.999 326 K CA -1.326 55.111 56.287 0.249 0.000 0.908 326 K CB -0.020 32.625 32.500 0.241 0.000 0.981 326 K HN 0.380 nan 8.250 nan 0.000 0.500 327 P HA -0.048 nan 4.420 nan 0.000 0.265 327 P C -0.065 177.411 177.300 0.294 0.000 1.187 327 P CA 0.082 63.331 63.100 0.249 0.000 0.766 327 P CB 0.387 32.220 31.700 0.222 0.000 0.820 328 L N 4.097 125.503 121.223 0.305 0.000 2.453 328 L HA 0.211 4.553 4.340 0.003 0.000 0.272 328 L C -0.016 176.996 176.870 0.238 0.000 1.182 328 L CA 0.063 55.108 54.840 0.340 0.000 0.858 328 L CB 0.059 42.347 42.059 0.381 0.000 1.120 328 L HN 0.317 nan 8.230 nan 0.000 0.474 329 I N 3.570 124.267 120.570 0.211 0.000 2.460 329 I HA 0.361 4.533 4.170 0.003 0.000 0.298 329 I C 0.056 176.242 176.117 0.114 0.000 0.989 329 I CA -0.173 61.183 61.300 0.093 0.000 1.173 329 I CB 2.067 40.087 38.000 0.033 0.000 1.338 329 I HN 0.496 nan 8.210 nan 0.000 0.456 330 T N 4.437 119.040 114.554 0.082 0.000 2.916 330 T HA 0.588 4.940 4.350 0.003 0.000 0.305 330 T C -1.412 173.305 174.700 0.028 0.000 1.119 330 T CA -0.429 61.750 62.100 0.131 0.000 1.008 330 T CB 1.523 70.609 68.868 0.363 0.000 1.129 330 T HN 0.199 nan 8.240 nan 0.000 0.480 331 V N 6.582 126.467 119.914 -0.047 0.000 2.357 331 V HA 0.457 4.579 4.120 0.003 0.000 0.284 331 V C -2.245 173.865 176.094 0.027 0.000 1.018 331 V CA -1.853 60.349 62.300 -0.162 0.000 0.841 331 V CB 1.288 32.779 31.823 -0.554 0.000 0.991 331 V HN 0.724 nan 8.190 nan 0.000 0.437 332 P HA 0.265 nan 4.420 nan 0.000 0.274 332 P C 1.027 178.367 177.300 0.068 0.000 1.256 332 P CA -0.211 62.812 63.100 -0.127 0.000 0.795 332 P CB 0.583 31.960 31.700 -0.539 0.000 1.038 333 T N -1.447 113.105 114.554 -0.003 0.000 2.788 333 T HA -0.118 4.234 4.350 0.003 0.000 0.268 333 T C 0.339 174.866 174.700 -0.289 0.000 1.044 333 T CA 1.427 63.419 62.100 -0.179 0.000 1.139 333 T CB -0.482 68.123 68.868 -0.438 0.000 0.867 333 T HN 0.481 nan 8.240 nan 0.000 0.454 334 E N 1.019 120.979 120.200 -0.401 0.000 2.089 334 E HA 0.253 4.605 4.350 0.003 0.000 0.284 334 E C -0.376 176.173 176.600 -0.084 0.000 1.023 334 E CA -0.373 55.863 56.400 -0.275 0.000 0.819 334 E CB 0.512 30.122 29.700 -0.149 0.000 1.076 334 E HN 0.709 nan 8.360 nan 0.000 0.396 335 Y N 0.842 121.093 120.300 -0.083 0.000 2.672 335 Y HA 0.277 4.829 4.550 0.003 0.000 0.252 335 Y C -0.519 175.425 175.900 0.072 0.000 1.132 335 Y CA -0.950 57.131 58.100 -0.030 0.000 1.228 335 Y CB 0.259 38.615 38.460 -0.173 0.000 1.310 335 Y HN 0.289 nan 8.280 nan 0.000 0.549 336 D N -1.464 118.928 120.400 -0.013 0.000 2.527 336 D HA 0.304 4.946 4.640 0.003 0.000 0.233 336 D C 0.471 176.874 176.300 0.173 0.000 1.063 336 D CA -0.645 53.434 54.000 0.133 0.000 0.880 336 D CB 2.125 42.903 40.800 -0.036 0.000 1.457 336 D HN -0.075 nan 8.370 nan 0.000 0.475 337 T N 0.919 115.654 114.554 0.301 0.000 2.737 337 T HA -0.093 4.259 4.350 0.003 0.000 0.269 337 T C 1.947 176.696 174.700 0.082 0.000 1.040 337 T CA 1.563 63.792 62.100 0.214 0.000 1.142 337 T CB -0.622 68.399 68.868 0.255 0.000 0.861 337 T HN 0.700 nan 8.240 nan 0.000 0.456 338 G N 0.808 109.635 108.800 0.045 0.000 2.432 338 G HA2 -0.008 3.954 3.960 0.003 0.000 0.219 338 G HA3 -0.008 3.954 3.960 0.003 0.000 0.219 338 G C 1.659 176.530 174.900 -0.047 0.000 1.135 338 G CA 0.800 45.898 45.100 -0.004 0.000 0.767 338 G HN 0.612 nan 8.290 nan 0.000 0.550 339 A N -0.249 122.519 122.820 -0.087 0.000 2.081 339 A HA 0.416 4.738 4.320 0.003 0.000 0.214 339 A C 2.254 179.789 177.584 -0.082 0.000 1.158 339 A CA 0.909 52.864 52.037 -0.137 0.000 0.724 339 A CB -0.059 18.779 19.000 -0.270 0.000 0.826 339 A HN 0.376 nan 8.150 nan 0.000 0.463 340 M N -1.264 118.323 119.600 -0.023 0.000 2.534 340 M HA 0.178 4.660 4.480 0.003 0.000 0.263 340 M C -0.435 175.872 176.300 0.011 0.000 1.152 340 M CA 0.623 55.935 55.300 0.021 0.000 1.145 340 M CB 0.890 33.533 32.600 0.072 0.000 1.333 340 M HN 0.027 nan 8.290 nan 0.000 0.477 341 V N -0.287 119.629 119.914 0.003 0.000 2.735 341 V HA 0.480 4.602 4.120 0.003 0.000 0.310 341 V C -0.866 175.222 176.094 -0.009 0.000 1.061 341 V CA -0.700 61.597 62.300 -0.005 0.000 0.913 341 V CB 2.070 33.894 31.823 0.001 0.000 1.005 341 V HN 0.138 nan 8.190 nan 0.000 0.428 342 S N 3.790 119.482 115.700 -0.015 0.000 2.594 342 S HA 0.479 4.951 4.470 0.003 0.000 0.296 342 S C -0.053 174.538 174.600 -0.015 0.000 1.124 342 S CA -0.565 57.626 58.200 -0.015 0.000 1.011 342 S CB 0.609 63.798 63.200 -0.018 0.000 1.016 342 S HN 0.821 nan 8.310 nan 0.000 0.485 343 N N 3.029 121.722 118.700 -0.011 0.000 2.699 343 N HA -0.192 4.550 4.740 0.003 0.000 0.256 343 N C 0.944 176.446 175.510 -0.013 0.000 0.993 343 N CA 1.683 54.727 53.050 -0.010 0.000 0.759 343 N CB -1.483 36.997 38.487 -0.011 0.000 0.906 343 N HN 1.530 nan 8.380 nan 0.000 0.541 344 G N -1.804 106.988 108.800 -0.013 0.000 2.189 344 G HA2 -0.332 3.630 3.960 0.003 0.000 0.267 344 G HA3 -0.332 3.630 3.960 0.003 0.000 0.267 344 G C -0.125 174.757 174.900 -0.030 0.000 0.975 344 G CA 0.748 45.836 45.100 -0.019 0.000 0.644 344 G HN 0.522 nan 8.290 nan 0.000 0.537 345 Q N 0.026 119.808 119.800 -0.030 0.000 2.399 345 Q HA 0.492 4.834 4.340 0.003 0.000 0.276 345 Q C -2.650 173.325 176.000 -0.042 0.000 1.098 345 Q CA -1.938 53.841 55.803 -0.040 0.000 0.827 345 Q CB 2.602 31.318 28.738 -0.037 0.000 1.386 345 Q HN 0.236 nan 8.270 nan 0.000 0.443 346 P HA 0.118 nan 4.420 nan 0.000 0.271 346 P C -0.262 177.017 177.300 -0.035 0.000 1.216 346 P CA 0.017 63.084 63.100 -0.056 0.000 0.776 346 P CB 0.915 32.556 31.700 -0.098 0.000 0.881 347 R N 1.571 122.063 120.500 -0.013 0.000 2.863 347 R HA 0.201 4.543 4.340 0.003 0.000 0.273 347 R C 1.822 178.127 176.300 0.008 0.000 1.057 347 R CA -0.036 56.063 56.100 -0.001 0.000 1.191 347 R CB -0.114 30.190 30.300 0.007 0.000 1.104 347 R HN 0.484 nan 8.270 nan 0.000 0.519 348 A N 1.175 124.001 122.820 0.010 0.000 1.883 348 A HA -0.251 4.071 4.320 0.003 0.000 0.217 348 A C 2.025 179.621 177.584 0.020 0.000 1.186 348 A CA 1.626 53.663 52.037 0.000 0.000 0.624 348 A CB -0.830 18.167 19.000 -0.005 0.000 0.822 348 A HN 0.868 nan 8.150 nan 0.000 0.444 349 Y N 0.931 121.198 120.300 -0.054 0.000 2.070 349 Y HA -0.231 4.321 4.550 0.003 0.000 0.280 349 Y C 2.732 178.637 175.900 0.008 0.000 1.148 349 Y CA 2.613 60.689 58.100 -0.041 0.000 1.125 349 Y CB -0.697 37.733 38.460 -0.051 0.000 0.975 349 Y HN 0.297 nan 8.280 nan 0.000 0.492 350 T N 0.861 115.549 114.554 0.224 0.000 2.803 350 T HA -0.231 4.121 4.350 0.003 0.000 0.269 350 T C 1.872 176.531 174.700 -0.070 0.000 1.052 350 T CA 1.687 63.858 62.100 0.118 0.000 1.136 350 T CB -0.338 68.591 68.868 0.102 0.000 0.864 350 T HN 0.370 nan 8.240 nan 0.000 0.467 351 R N 0.562 121.014 120.500 -0.080 0.000 2.066 351 R HA 0.034 4.376 4.340 0.003 0.000 0.232 351 R C 2.329 178.546 176.300 -0.139 0.000 1.131 351 R CA 1.325 57.350 56.100 -0.124 0.000 0.955 351 R CB -0.353 29.893 30.300 -0.090 0.000 0.851 351 R HN 0.363 nan 8.270 nan 0.000 0.432 352 I N 0.106 120.589 120.570 -0.146 0.000 2.315 352 I HA -0.224 3.948 4.170 0.003 0.000 0.248 352 I C 2.077 178.079 176.117 -0.191 0.000 1.117 352 I CA 0.971 62.164 61.300 -0.179 0.000 1.404 352 I CB -0.281 37.590 38.000 -0.216 0.000 1.071 352 I HN 0.180 nan 8.210 nan 0.000 0.419 353 F N 1.688 121.419 119.950 -0.366 0.000 2.075 353 F HA -0.282 4.248 4.527 0.004 0.000 0.297 353 F C 2.593 178.334 175.800 -0.098 0.000 1.113 353 F CA 1.835 59.675 58.000 -0.267 0.000 1.218 353 F CB -0.241 38.598 39.000 -0.268 0.000 0.984 353 F HN 0.003 nan 8.300 nan 0.000 0.472 354 A N 0.343 123.168 122.820 0.008 0.000 1.940 354 A HA -0.263 4.059 4.320 0.003 0.000 0.219 354 A C 1.917 179.431 177.584 -0.116 0.000 1.176 354 A CA 1.955 53.849 52.037 -0.238 0.000 0.631 354 A CB -1.032 17.463 19.000 -0.841 0.000 0.814 354 A HN 0.675 nan 8.150 nan 0.000 0.446 355 E N -1.163 118.957 120.200 -0.135 0.000 2.285 355 E HA -0.053 4.299 4.350 0.003 0.000 0.194 355 E C 1.515 178.054 176.600 -0.102 0.000 0.997 355 E CA 1.539 57.875 56.400 -0.106 0.000 0.845 355 E CB -0.481 29.154 29.700 -0.109 0.000 0.782 355 E HN 0.415 nan 8.360 nan 0.000 0.491 356 T N 0.376 114.842 114.554 -0.147 0.000 2.925 356 T HA 0.085 4.437 4.350 0.003 0.000 0.245 356 T C 0.778 175.383 174.700 -0.158 0.000 1.025 356 T CA 0.282 62.278 62.100 -0.172 0.000 1.149 356 T CB -0.005 68.714 68.868 -0.248 0.000 0.866 356 T HN 0.085 nan 8.240 nan 0.000 0.437 357 V N 3.739 123.523 119.914 -0.216 0.000 2.617 357 V HA 0.024 4.146 4.120 0.003 0.000 0.304 357 V C -0.235 175.860 176.094 0.002 0.000 1.040 357 V CA -0.225 61.986 62.300 -0.149 0.000 1.149 357 V CB 0.103 31.807 31.823 -0.200 0.000 0.914 357 V HN 0.371 nan 8.190 nan 0.000 0.487 358 D N 9.349 129.767 120.400 0.030 0.000 2.472 358 D HA 0.077 4.719 4.640 0.003 0.000 0.237 358 D C -1.290 175.064 176.300 0.089 0.000 1.141 358 D CA -0.967 53.068 54.000 0.059 0.000 0.875 358 D CB 1.076 41.921 40.800 0.076 0.000 1.192 358 D HN 0.460 nan 8.370 nan 0.000 0.450 359 P HA -0.152 nan 4.420 nan 0.000 0.220 359 P C 0.982 178.346 177.300 0.106 0.000 1.144 359 P CA 1.002 64.160 63.100 0.097 0.000 0.800 359 P CB 0.132 31.878 31.700 0.077 0.000 0.772 360 S N -1.578 114.186 115.700 0.107 0.000 2.562 360 S HA 0.056 4.528 4.470 0.003 0.000 0.221 360 S C 0.910 175.595 174.600 0.140 0.000 0.975 360 S CA -0.205 58.066 58.200 0.119 0.000 0.918 360 S CB -0.918 62.351 63.200 0.115 0.000 0.772 360 S HN 0.048 nan 8.310 nan 0.000 0.531 361 I N 2.652 123.308 120.570 0.144 0.000 2.395 361 I HA 0.223 4.395 4.170 0.003 0.000 0.289 361 I C 0.164 176.355 176.117 0.123 0.000 1.023 361 I CA -0.449 60.946 61.300 0.158 0.000 1.350 361 I CB 0.834 38.943 38.000 0.182 0.000 1.409 361 I HN 0.124 nan 8.210 nan 0.000 0.507 362 E N 5.788 126.043 120.200 0.091 0.000 2.290 362 E HA 0.231 4.583 4.350 0.003 0.000 0.277 362 E C -0.851 175.728 176.600 -0.035 0.000 1.035 362 E CA -0.221 56.175 56.400 -0.007 0.000 0.873 362 E CB 1.805 31.419 29.700 -0.143 0.000 1.029 362 E HN 0.232 nan 8.360 nan 0.000 0.419 363 V N 5.112 124.981 119.914 -0.075 0.000 2.384 363 V HA 0.297 4.419 4.120 0.003 0.000 0.287 363 V C 0.321 176.364 176.094 -0.086 0.000 1.020 363 V CA -0.553 61.669 62.300 -0.130 0.000 0.850 363 V CB 1.287 32.859 31.823 -0.419 0.000 0.987 363 V HN 0.584 nan 8.190 nan 0.000 0.436 364 M N 5.154 124.731 119.600 -0.039 0.000 2.233 364 M HA 0.479 4.961 4.480 0.003 0.000 0.355 364 M C -0.636 175.804 176.300 0.232 0.000 1.191 364 M CA -0.100 55.254 55.300 0.089 0.000 1.101 364 M CB 1.298 33.923 32.600 0.042 0.000 1.592 364 M HN 0.899 nan 8.290 nan 0.000 0.461 365 W N 2.235 123.558 121.300 0.039 0.000 3.031 365 W HA 0.544 5.206 4.660 0.003 0.000 0.337 365 W C 0.044 176.674 176.519 0.185 0.000 1.187 365 W CA -0.739 56.663 57.345 0.095 0.000 1.166 365 W CB 0.980 30.495 29.460 0.091 0.000 1.437 365 W HN 0.692 nan 8.180 nan 0.000 0.551 366 T N 0.459 114.902 114.554 -0.185 0.000 3.086 366 T HA 0.502 4.854 4.350 0.003 0.000 0.250 366 T C 0.778 175.260 174.700 -0.363 0.000 1.074 366 T CA 0.563 62.546 62.100 -0.194 0.000 0.988 366 T CB -0.490 68.367 68.868 -0.019 0.000 0.988 366 T HN 1.879 nan 8.240 nan 0.000 0.530 367 G N 1.879 110.047 108.800 -1.053 0.000 2.549 367 G HA2 -0.060 3.902 3.960 0.003 0.000 0.404 367 G HA3 -0.060 3.902 3.960 0.003 0.000 0.404 367 G C -2.434 172.527 174.900 0.103 0.000 1.292 367 G CA -0.435 44.427 45.100 -0.397 0.000 0.935 367 G HN 0.028 nan 8.290 nan 0.000 0.512 368 P HA 0.102 nan 4.420 nan 0.000 0.218 368 P C 1.158 178.535 177.300 0.127 0.000 1.146 368 P CA 2.531 65.750 63.100 0.198 0.000 0.813 368 P CB -0.061 31.735 31.700 0.160 0.000 0.778 369 G N -2.991 105.865 108.800 0.093 0.000 2.727 369 G HA2 0.336 4.298 3.960 0.003 0.000 0.289 369 G HA3 0.336 4.298 3.960 0.003 0.000 0.289 369 G C 0.569 175.494 174.900 0.042 0.000 1.418 369 G CA -0.464 44.671 45.100 0.057 0.000 0.818 369 G HN -0.215 nan 8.290 nan 0.000 0.486 370 V N -0.690 119.256 119.914 0.054 0.000 2.295 370 V HA -0.018 4.104 4.120 0.003 0.000 0.246 370 V C 0.912 177.035 176.094 0.049 0.000 1.049 370 V CA 1.286 63.639 62.300 0.088 0.000 1.024 370 V CB -0.347 31.543 31.823 0.112 0.000 0.648 370 V HN 0.354 nan 8.190 nan 0.000 0.447 371 V N -0.129 119.809 119.914 0.039 0.000 2.409 371 V HA 0.603 4.725 4.120 0.003 0.000 0.290 371 V C -0.396 175.607 176.094 -0.151 0.000 1.017 371 V CA -0.098 62.094 62.300 -0.180 0.000 0.841 371 V CB 1.414 32.986 31.823 -0.418 0.000 1.003 371 V HN 0.404 nan 8.190 nan 0.000 0.426 372 T N 2.583 117.038 114.554 -0.164 0.000 2.894 372 T HA 0.328 4.680 4.350 0.003 0.000 0.309 372 T C 0.754 175.471 174.700 0.027 0.000 1.208 372 T CA -0.498 61.583 62.100 -0.032 0.000 1.016 372 T CB 1.791 70.694 68.868 0.058 0.000 1.192 372 T HN 0.509 nan 8.240 nan 0.000 0.491 373 N N 1.543 120.283 118.700 0.068 0.000 2.104 373 N HA 0.005 4.747 4.740 0.003 0.000 0.190 373 N C 0.222 175.861 175.510 0.216 0.000 1.024 373 N CA 1.366 54.483 53.050 0.111 0.000 0.853 373 N CB 0.061 38.590 38.487 0.068 0.000 1.008 373 N HN 0.687 nan 8.380 nan 0.000 0.424 374 E N -1.046 119.288 120.200 0.225 0.000 2.429 374 E HA 0.469 4.821 4.350 0.003 0.000 0.276 374 E C -0.819 175.873 176.600 0.153 0.000 0.953 374 E CA -0.550 55.935 56.400 0.143 0.000 0.787 374 E CB 2.432 32.157 29.700 0.043 0.000 1.307 374 E HN -0.092 nan 8.360 nan 0.000 0.458 375 I N 2.828 123.392 120.570 -0.010 0.000 2.502 375 I HA 0.273 4.445 4.170 0.003 0.000 0.276 375 I C -2.344 173.803 176.117 0.050 0.000 1.057 375 I CA -2.050 59.274 61.300 0.040 0.000 1.163 375 I CB 0.954 38.930 38.000 -0.040 0.000 1.288 375 I HN 0.114 nan 8.210 nan 0.000 0.479 376 P HA 0.053 nan 4.420 nan 0.000 0.274 376 P C 0.787 178.163 177.300 0.126 0.000 1.246 376 P CA -0.491 62.658 63.100 0.082 0.000 0.795 376 P CB 1.648 33.393 31.700 0.074 0.000 1.006 377 L N 2.231 123.529 121.223 0.124 0.000 2.042 377 L HA -0.220 4.122 4.340 0.003 0.000 0.210 377 L C 2.575 179.524 176.870 0.133 0.000 1.076 377 L CA 2.691 57.635 54.840 0.173 0.000 0.749 377 L CB -1.545 40.617 42.059 0.172 0.000 0.893 377 L HN 0.503 nan 8.230 nan 0.000 0.432 378 S N -1.638 114.113 115.700 0.086 0.000 2.383 378 S HA -0.267 4.205 4.470 0.003 0.000 0.229 378 S C 1.852 176.466 174.600 0.022 0.000 1.030 378 S CA 1.402 59.621 58.200 0.033 0.000 1.002 378 S CB -0.896 62.328 63.200 0.039 0.000 0.829 378 S HN 0.617 nan 8.310 nan 0.000 0.467 379 D N 2.051 122.513 120.400 0.103 0.000 2.097 379 D HA 0.022 4.664 4.640 0.003 0.000 0.195 379 D C 2.105 178.494 176.300 0.148 0.000 0.989 379 D CA 1.446 55.547 54.000 0.169 0.000 0.827 379 D CB -0.569 40.408 40.800 0.296 0.000 0.966 379 D HN 0.495 nan 8.370 nan 0.000 0.456 380 A N 0.059 123.009 122.820 0.217 0.000 1.933 380 A HA -0.214 4.108 4.320 0.003 0.000 0.218 380 A C 2.171 179.559 177.584 -0.327 0.000 1.175 380 A CA 1.701 53.818 52.037 0.133 0.000 0.628 380 A CB -0.784 18.467 19.000 0.419 0.000 0.814 380 A HN 0.402 nan 8.150 nan 0.000 0.444 381 Q N -0.830 118.621 119.800 -0.582 0.000 2.050 381 Q HA -0.182 4.160 4.340 0.003 0.000 0.202 381 Q C 2.034 177.736 176.000 -0.497 0.000 0.980 381 Q CA 1.689 56.860 55.803 -1.054 0.000 0.840 381 Q CB -0.254 28.056 28.738 -0.713 0.000 0.898 381 Q HN 0.541 nan 8.270 nan 0.000 0.424 382 L N 0.817 121.873 121.223 -0.278 0.000 2.013 382 L HA -0.225 4.117 4.340 0.003 0.000 0.212 382 L C 2.094 178.839 176.870 -0.207 0.000 1.073 382 L CA 1.728 56.460 54.840 -0.179 0.000 0.753 382 L CB -0.575 41.428 42.059 -0.095 0.000 0.890 382 L HN 0.309 nan 8.230 nan 0.000 0.432 383 I N -1.239 119.154 120.570 -0.296 0.000 2.333 383 I HA -0.171 4.001 4.170 0.003 0.000 0.246 383 I C 2.679 178.651 176.117 -0.242 0.000 1.106 383 I CA 1.509 62.589 61.300 -0.368 0.000 1.411 383 I CB -1.462 35.999 38.000 -0.899 0.000 1.082 383 I HN 0.366 nan 8.210 nan 0.000 0.420 384 S N 1.028 116.562 115.700 -0.277 0.000 2.383 384 S HA -0.131 4.341 4.470 0.003 0.000 0.229 384 S C 2.122 176.705 174.600 -0.027 0.000 1.030 384 S CA 1.658 59.804 58.200 -0.090 0.000 1.002 384 S CB -0.519 62.681 63.200 0.000 0.000 0.829 384 S HN 0.540 nan 8.310 nan 0.000 0.467 385 G N 1.127 109.863 108.800 -0.106 0.000 2.408 385 G HA2 -0.074 3.888 3.960 0.003 0.000 0.217 385 G HA3 -0.074 3.888 3.960 0.003 0.000 0.217 385 G C 1.394 176.259 174.900 -0.058 0.000 1.150 385 G CA 0.771 45.834 45.100 -0.063 0.000 0.776 385 G HN 0.564 nan 8.290 nan 0.000 0.542 386 I N -0.840 119.677 120.570 -0.089 0.000 2.179 386 I HA -0.166 4.006 4.170 0.003 0.000 0.242 386 I C 2.060 178.059 176.117 -0.197 0.000 1.088 386 I CA 1.056 62.267 61.300 -0.149 0.000 1.357 386 I CB -0.143 37.745 38.000 -0.187 0.000 1.051 386 I HN 0.137 nan 8.210 nan 0.000 0.409 387 Y N 0.337 120.608 120.300 -0.048 0.000 2.490 387 Y HA 0.029 4.581 4.550 0.003 0.000 0.281 387 Y C 1.071 176.979 175.900 0.014 0.000 1.174 387 Y CA -0.015 58.084 58.100 -0.001 0.000 1.295 387 Y CB -0.368 38.096 38.460 0.008 0.000 1.062 387 Y HN 0.226 nan 8.280 nan 0.000 0.522 388 N N 1.420 120.180 118.700 0.099 0.000 2.701 388 N HA -0.270 4.472 4.740 0.003 0.000 0.250 388 N C -1.141 174.438 175.510 0.116 0.000 1.046 388 N CA 0.977 54.078 53.050 0.085 0.000 0.733 388 N CB -0.591 37.928 38.487 0.052 0.000 0.973 388 N HN 0.483 nan 8.380 nan 0.000 0.541 389 R N -1.611 118.974 120.500 0.142 0.000 2.733 389 R HA 0.420 4.762 4.340 0.003 0.000 0.272 389 R C -0.691 175.695 176.300 0.143 0.000 1.029 389 R CA -0.870 55.312 56.100 0.136 0.000 0.888 389 R CB 0.029 30.410 30.300 0.134 0.000 1.251 389 R HN 0.085 nan 8.270 nan 0.000 0.464 390 N N 0.625 119.412 118.700 0.144 0.000 2.458 390 N HA 0.135 4.877 4.740 0.003 0.000 0.258 390 N C -0.378 175.227 175.510 0.159 0.000 1.219 390 N CA 0.137 53.287 53.050 0.166 0.000 0.902 390 N CB 0.420 39.002 38.487 0.158 0.000 1.076 390 N HN 0.225 nan 8.380 nan 0.000 0.455 391 M N 1.525 121.239 119.600 0.190 0.000 2.471 391 M HA 0.493 4.975 4.480 0.003 0.000 0.309 391 M C -0.030 176.456 176.300 0.309 0.000 1.186 391 M CA -0.934 54.475 55.300 0.182 0.000 1.008 391 M CB 1.258 33.910 32.600 0.086 0.000 1.551 391 M HN 0.490 nan 8.290 nan 0.000 0.477 392 A N 1.442 124.426 122.820 0.273 0.000 2.317 392 A HA 0.698 5.020 4.320 0.003 0.000 0.327 392 A C -0.725 177.108 177.584 0.417 0.000 1.178 392 A CA -0.646 51.557 52.037 0.276 0.000 0.817 392 A CB 0.829 19.700 19.000 -0.216 0.000 1.189 392 A HN 0.568 nan 8.150 nan 0.000 0.489 393 V N 2.968 123.125 119.914 0.405 0.000 2.427 393 V HA 0.297 4.419 4.120 0.003 0.000 0.286 393 V C -0.665 175.535 176.094 0.177 0.000 1.034 393 V CA -0.467 61.974 62.300 0.236 0.000 0.893 393 V CB 1.382 33.354 31.823 0.247 0.000 0.982 393 V HN 0.865 nan 8.190 nan 0.000 0.452 394 W N 7.317 128.588 121.300 -0.048 0.000 2.299 394 W HA 0.338 5.000 4.660 0.003 0.000 0.319 394 W C -0.940 175.584 176.519 0.009 0.000 1.008 394 W CA -1.744 55.561 57.345 -0.066 0.000 1.384 394 W CB 1.241 30.624 29.460 -0.128 0.000 1.220 394 W HN 0.733 nan 8.180 nan 0.000 0.402 395 W N 8.718 130.036 121.300 0.031 0.000 2.314 395 W HA 0.211 4.873 4.660 0.003 0.000 0.310 395 W C -0.216 176.422 176.519 0.198 0.000 1.075 395 W CA -0.515 56.865 57.345 0.058 0.000 1.253 395 W CB 0.939 30.353 29.460 -0.076 0.000 1.238 395 W HN 0.261 nan 8.180 nan 0.000 0.440 396 N N 6.252 124.837 118.700 -0.191 0.000 3.243 396 N HA -0.009 4.733 4.740 0.003 0.000 0.310 396 N C -1.543 173.856 175.510 -0.185 0.000 1.313 396 N CA 0.398 53.408 53.050 -0.067 0.000 1.204 396 N CB -0.307 38.212 38.487 0.053 0.000 1.483 396 N HN 0.423 nan 8.380 nan 0.000 0.553 397 Y N 0.253 120.335 120.300 -0.363 0.000 2.436 397 Y HA 0.289 4.841 4.550 0.003 0.000 0.327 397 Y C -2.295 173.654 175.900 0.082 0.000 1.138 397 Y CA -1.515 56.497 58.100 -0.146 0.000 1.042 397 Y CB 2.331 40.647 38.460 -0.241 0.000 1.302 397 Y HN 0.023 nan 8.280 nan 0.000 0.439 398 P HA 0.008 nan 4.420 nan 0.000 0.257 398 P C 0.203 177.324 177.300 -0.297 0.000 1.281 398 P CA 0.338 63.060 63.100 -0.630 0.000 0.826 398 P CB 0.313 31.787 31.700 -0.378 0.000 1.237 399 V N 2.512 122.389 119.914 -0.061 0.000 2.726 399 V HA -0.080 4.042 4.120 0.003 0.000 0.304 399 V C 1.161 177.243 176.094 -0.020 0.000 1.115 399 V CA 1.984 64.307 62.300 0.039 0.000 1.264 399 V CB -0.025 31.931 31.823 0.221 0.000 0.867 399 V HN 0.396 nan 8.190 nan 0.000 0.498 400 T N 0.844 115.331 114.554 -0.112 0.000 3.200 400 T HA 0.184 4.536 4.350 0.003 0.000 0.284 400 T C 0.820 175.333 174.700 -0.312 0.000 1.009 400 T CA 0.254 62.157 62.100 -0.328 0.000 0.907 400 T CB -0.059 68.696 68.868 -0.189 0.000 1.120 400 T HN 0.839 nan 8.240 nan 0.000 0.534 401 D N 1.872 122.254 120.400 -0.029 0.000 2.263 401 D HA -0.201 4.441 4.640 0.003 0.000 0.208 401 D C 1.456 177.845 176.300 0.149 0.000 0.971 401 D CA 0.991 55.075 54.000 0.141 0.000 0.867 401 D CB -0.750 40.270 40.800 0.366 0.000 0.929 401 D HN 0.760 nan 8.370 nan 0.000 0.492 402 Y N -2.787 117.625 120.300 0.186 0.000 2.482 402 Y HA 0.406 4.958 4.550 0.003 0.000 0.270 402 Y C 0.036 176.073 175.900 0.228 0.000 1.152 402 Y CA -1.085 57.129 58.100 0.189 0.000 1.292 402 Y CB -0.049 38.514 38.460 0.173 0.000 1.070 402 Y HN -0.100 nan 8.280 nan 0.000 0.528 403 F N 1.689 121.347 119.950 -0.486 0.000 3.020 403 F HA 0.399 4.928 4.527 0.003 0.000 0.389 403 F C 0.387 176.009 175.800 -0.297 0.000 1.265 403 F CA -1.550 56.249 58.000 -0.335 0.000 1.195 403 F CB 0.482 39.261 39.000 -0.369 0.000 2.250 403 F HN -0.163 nan 8.300 nan 0.000 0.627 404 K N 0.525 120.761 120.400 -0.273 0.000 2.365 404 K HA 0.041 4.363 4.320 0.003 0.000 0.199 404 K C 2.058 178.496 176.600 -0.270 0.000 1.045 404 K CA 0.869 57.092 56.287 -0.108 0.000 0.962 404 K CB 0.078 32.688 32.500 0.184 0.000 0.759 404 K HN 0.647 nan 8.250 nan 0.000 0.469 405 G N 1.817 110.068 108.800 -0.914 0.000 2.448 405 G HA2 -0.210 3.752 3.960 0.003 0.000 0.219 405 G HA3 -0.210 3.752 3.960 0.003 0.000 0.219 405 G C 0.514 175.059 174.900 -0.592 0.000 1.127 405 G CA 0.341 44.668 45.100 -1.289 0.000 0.766 405 G HN 0.153 nan 8.290 nan 0.000 0.552 406 K N 0.087 120.222 120.400 -0.443 0.000 2.159 406 K HA 0.556 4.878 4.320 0.003 0.000 0.266 406 K C -0.597 175.948 176.600 -0.091 0.000 0.975 406 K CA -0.684 55.496 56.287 -0.178 0.000 0.865 406 K CB 0.951 33.449 32.500 -0.003 0.000 1.087 406 K HN -0.014 nan 8.250 nan 0.000 0.446 407 L N 3.026 124.213 121.223 -0.061 0.000 2.292 407 L HA 0.411 4.753 4.340 0.003 0.000 0.284 407 L C 0.015 176.858 176.870 -0.046 0.000 1.065 407 L CA -0.748 54.073 54.840 -0.031 0.000 0.806 407 L CB 1.617 43.662 42.059 -0.023 0.000 1.175 407 L HN 0.679 nan 8.230 nan 0.000 0.431 408 A N 4.312 127.085 122.820 -0.078 0.000 2.478 408 A HA 0.508 4.830 4.320 0.003 0.000 0.327 408 A C 0.140 177.685 177.584 -0.066 0.000 1.431 408 A CA -0.255 51.685 52.037 -0.162 0.000 1.014 408 A CB 0.070 18.758 19.000 -0.519 0.000 1.143 408 A HN 0.600 nan 8.150 nan 0.000 0.532 409 L N 2.527 123.799 121.223 0.082 0.000 3.014 409 L HA 0.304 4.646 4.340 0.003 0.000 0.263 409 L C 1.168 178.290 176.870 0.420 0.000 1.207 409 L CA 0.247 55.210 54.840 0.204 0.000 1.017 409 L CB 0.142 42.283 42.059 0.137 0.000 1.360 409 L HN 0.694 nan 8.230 nan 0.000 0.560 410 G N -0.376 108.671 108.800 0.411 0.000 2.521 410 G HA2 0.618 4.580 3.960 0.003 0.000 0.323 410 G HA3 0.618 4.580 3.960 0.003 0.000 0.323 410 G C -2.738 172.494 174.900 0.554 0.000 1.211 410 G CA -1.040 44.276 45.100 0.361 0.000 0.979 410 G HN -0.107 nan 8.290 nan 0.000 0.490 411 P HA 0.207 nan 4.420 nan 0.000 0.278 411 P C -0.019 177.522 177.300 0.401 0.000 1.258 411 P CA -0.597 62.815 63.100 0.520 0.000 0.811 411 P CB 0.736 32.770 31.700 0.556 0.000 1.063 412 M N 1.785 121.630 119.600 0.409 0.000 2.286 412 M HA -0.024 4.458 4.480 0.003 0.000 0.365 412 M C 0.599 176.976 176.300 0.128 0.000 1.443 412 M CA 1.372 56.778 55.300 0.178 0.000 0.951 412 M CB -1.581 30.906 32.600 -0.188 0.000 1.961 412 M HN 0.532 nan 8.290 nan 0.000 0.468 413 H N 0.741 119.730 119.070 -0.135 0.000 2.947 413 H HA 0.395 4.953 4.556 0.003 0.000 0.354 413 H C 0.652 175.864 175.328 -0.194 0.000 1.085 413 H CA 0.857 56.755 56.048 -0.252 0.000 1.253 413 H CB 1.447 30.957 29.762 -0.420 0.000 1.757 413 H HN 0.830 nan 8.280 nan 0.000 0.523 414 G N 3.808 112.173 108.800 -0.725 0.000 2.175 414 G HA2 -0.234 3.728 3.960 0.003 0.000 0.244 414 G HA3 -0.234 3.728 3.960 0.003 0.000 0.244 414 G C -0.038 174.663 174.900 -0.332 0.000 0.982 414 G CA 0.209 45.048 45.100 -0.435 0.000 0.641 414 G HN 0.507 nan 8.290 nan 0.000 0.527 415 L N 2.030 122.972 121.223 -0.469 0.000 2.278 415 L HA 0.335 4.677 4.340 0.003 0.000 0.287 415 L C 0.584 177.333 176.870 -0.202 0.000 1.072 415 L CA -0.787 53.744 54.840 -0.515 0.000 0.819 415 L CB 0.953 42.400 42.059 -1.019 0.000 1.176 415 L HN 0.170 nan 8.230 nan 0.000 0.435 416 D N 3.357 123.719 120.400 -0.062 0.000 2.533 416 D HA -0.088 4.554 4.640 0.003 0.000 0.236 416 D C 0.687 177.070 176.300 0.139 0.000 1.137 416 D CA 0.396 54.425 54.000 0.048 0.000 0.867 416 D CB 1.001 41.845 40.800 0.073 0.000 1.170 416 D HN 0.500 nan 8.370 nan 0.000 0.474 417 K N 1.870 122.356 120.400 0.144 0.000 2.555 417 K HA 0.021 4.343 4.320 0.003 0.000 0.193 417 K C 1.420 178.043 176.600 0.039 0.000 1.032 417 K CA 0.387 56.759 56.287 0.143 0.000 1.004 417 K CB 0.355 32.946 32.500 0.152 0.000 0.804 417 K HN 0.428 nan 8.250 nan 0.000 0.496 418 G N 0.056 108.886 108.800 0.050 0.000 3.575 418 G HA2 -0.002 3.960 3.960 0.003 0.000 0.273 418 G HA3 -0.002 3.960 3.960 0.003 0.000 0.273 418 G C 0.860 175.781 174.900 0.035 0.000 1.053 418 G CA -0.270 44.843 45.100 0.022 0.000 0.803 418 G HN 0.045 nan 8.290 nan 0.000 0.528 419 L N 1.865 123.124 121.223 0.061 0.000 2.131 419 L HA -0.078 4.264 4.340 0.003 0.000 0.210 419 L C 2.604 179.527 176.870 0.087 0.000 1.092 419 L CA 1.931 56.848 54.840 0.129 0.000 0.759 419 L CB -0.583 41.568 42.059 0.152 0.000 0.903 419 L HN 0.595 nan 8.230 nan 0.000 0.435 420 N N -1.333 117.352 118.700 -0.025 0.000 2.417 420 N HA -0.311 4.431 4.740 0.003 0.000 0.187 420 N C 1.754 177.226 175.510 -0.065 0.000 1.027 420 N CA 1.175 54.198 53.050 -0.044 0.000 0.891 420 N CB -0.486 37.937 38.487 -0.107 0.000 0.956 420 N HN 0.581 nan 8.380 nan 0.000 0.442 421 Q N -0.734 118.982 119.800 -0.140 0.000 2.170 421 Q HA -0.175 4.167 4.340 0.003 0.000 0.203 421 Q C 0.514 176.210 176.000 -0.507 0.000 0.976 421 Q CA 1.342 56.921 55.803 -0.373 0.000 0.858 421 Q CB 0.002 28.421 28.738 -0.530 0.000 0.907 421 Q HN 0.676 nan 8.270 nan 0.000 0.433 422 Y N -1.641 118.709 120.300 0.084 0.000 2.471 422 Y HA 0.346 4.898 4.550 0.003 0.000 0.249 422 Y C -0.457 175.528 175.900 0.142 0.000 1.116 422 Y CA -0.459 57.699 58.100 0.096 0.000 1.240 422 Y CB 1.497 40.009 38.460 0.087 0.000 1.251 422 Y HN -0.177 nan 8.280 nan 0.000 0.527 423 V N 1.773 121.848 119.914 0.268 0.000 2.531 423 V HA 0.242 4.364 4.120 0.003 0.000 0.301 423 V C -0.298 175.933 176.094 0.229 0.000 1.034 423 V CA -0.694 61.792 62.300 0.311 0.000 0.865 423 V CB 1.883 33.935 31.823 0.382 0.000 0.995 423 V HN 0.264 nan 8.190 nan 0.000 0.424 424 D N 2.224 122.784 120.400 0.267 0.000 2.479 424 D HA 0.159 4.801 4.640 0.003 0.000 0.218 424 D C -0.339 176.153 176.300 0.321 0.000 1.177 424 D CA -0.078 54.062 54.000 0.232 0.000 0.830 424 D CB 0.548 41.468 40.800 0.200 0.000 1.014 424 D HN 0.336 nan 8.370 nan 0.000 0.503 425 F N 0.729 120.799 119.950 0.200 0.000 2.881 425 F HA 0.405 4.934 4.527 0.004 0.000 0.348 425 F C -2.314 173.652 175.800 0.276 0.000 1.240 425 F CA -1.258 56.865 58.000 0.206 0.000 1.130 425 F CB 1.279 40.385 39.000 0.177 0.000 1.417 425 F HN -0.187 nan 8.300 nan 0.000 0.585 426 F N 5.988 126.070 119.950 0.220 0.000 2.539 426 F HA 0.674 5.203 4.527 0.004 0.000 0.328 426 F C -0.797 175.096 175.800 0.154 0.000 1.148 426 F CA -0.200 57.929 58.000 0.215 0.000 0.940 426 F CB 1.540 40.623 39.000 0.140 0.000 1.194 426 F HN 0.452 nan 8.300 nan 0.000 0.438 427 T N 3.323 117.594 114.554 -0.473 0.000 2.916 427 T HA 0.776 5.128 4.350 0.003 0.000 0.292 427 T C -0.888 173.491 174.700 -0.534 0.000 1.055 427 T CA -0.700 61.162 62.100 -0.397 0.000 1.009 427 T CB 1.451 70.220 68.868 -0.166 0.000 1.118 427 T HN 0.848 nan 8.240 nan 0.000 0.497 428 V N -0.139 119.603 119.914 -0.287 0.000 2.628 428 V HA 0.736 4.858 4.120 0.003 0.000 0.306 428 V C -0.557 175.465 176.094 -0.120 0.000 1.045 428 V CA -1.056 61.193 62.300 -0.086 0.000 0.905 428 V CB 1.595 33.507 31.823 0.150 0.000 0.997 428 V HN 0.932 nan 8.190 nan 0.000 0.436 429 N N 5.762 124.414 118.700 -0.080 0.000 2.437 429 N HA 0.552 5.294 4.740 0.003 0.000 0.243 429 N C -2.353 173.224 175.510 0.112 0.000 1.041 429 N CA -1.878 51.156 53.050 -0.028 0.000 0.940 429 N CB 1.369 39.910 38.487 0.092 0.000 1.133 429 N HN 0.650 nan 8.380 nan 0.000 0.506 430 P HA 0.262 nan 4.420 nan 0.000 0.306 430 P C -0.215 177.046 177.300 -0.065 0.000 1.309 430 P CA -0.419 62.763 63.100 0.137 0.000 0.759 430 P CB 1.140 33.039 31.700 0.332 0.000 1.314 431 M N -0.284 119.231 119.600 -0.141 0.000 2.368 431 M HA 0.177 4.659 4.480 0.003 0.000 0.311 431 M C 1.830 177.654 176.300 -0.793 0.000 1.168 431 M CA -0.239 54.859 55.300 -0.336 0.000 1.044 431 M CB 0.452 32.997 32.600 -0.092 0.000 1.506 431 M HN 0.436 nan 8.290 nan 0.000 0.475 432 E N -0.129 119.531 120.200 -0.899 0.000 2.265 432 E HA -0.150 4.202 4.350 0.003 0.000 0.196 432 E C -0.160 176.299 176.600 -0.236 0.000 0.996 432 E CA 1.070 57.040 56.400 -0.716 0.000 0.832 432 E CB -0.229 29.235 29.700 -0.393 0.000 0.756 432 E HN 0.496 nan 8.360 nan 0.000 0.491 433 H N 0.674 119.739 119.070 -0.008 0.000 3.067 433 H HA 0.309 4.867 4.556 0.004 0.000 0.265 433 H C 0.748 176.084 175.328 0.014 0.000 1.234 433 H CA 0.310 56.373 56.048 0.025 0.000 1.452 433 H CB 1.138 30.906 29.762 0.011 0.000 1.527 433 H HN 0.269 nan 8.280 nan 0.000 0.486 434 A N 3.189 126.002 122.820 -0.012 0.000 1.898 434 A HA -0.185 4.137 4.320 0.003 0.000 0.216 434 A C 2.335 179.758 177.584 -0.267 0.000 1.181 434 A CA 1.423 53.242 52.037 -0.363 0.000 0.620 434 A CB -0.009 18.400 19.000 -0.985 0.000 0.819 434 A HN 0.542 nan 8.150 nan 0.000 0.442 435 E N -0.226 119.867 120.200 -0.179 0.000 2.031 435 E HA -0.129 4.223 4.350 0.003 0.000 0.193 435 E C 1.611 178.160 176.600 -0.085 0.000 0.994 435 E CA 1.139 57.435 56.400 -0.174 0.000 0.800 435 E CB -0.329 29.298 29.700 -0.122 0.000 0.752 435 E HN 0.349 nan 8.360 nan 0.000 0.447 436 L N 0.378 121.615 121.223 0.024 0.000 2.376 436 L HA 0.045 4.387 4.340 0.003 0.000 0.219 436 L C 2.161 179.091 176.870 0.100 0.000 1.133 436 L CA 1.085 55.984 54.840 0.097 0.000 0.816 436 L CB -0.546 41.580 42.059 0.110 0.000 0.933 436 L HN 0.029 nan 8.230 nan 0.000 0.449 437 S N -0.752 114.995 115.700 0.079 0.000 2.442 437 S HA -0.157 4.315 4.470 0.003 0.000 0.236 437 S C 1.895 176.587 174.600 0.153 0.000 1.007 437 S CA 0.844 59.118 58.200 0.123 0.000 0.965 437 S CB -0.117 63.186 63.200 0.172 0.000 0.773 437 S HN 0.439 nan 8.310 nan 0.000 0.504 438 K N 0.755 121.179 120.400 0.040 0.000 2.209 438 K HA 0.006 4.328 4.320 0.003 0.000 0.204 438 K C 1.724 178.489 176.600 0.274 0.000 1.048 438 K CA 0.910 57.205 56.287 0.014 0.000 0.940 438 K CB -0.247 31.958 32.500 -0.491 0.000 0.729 438 K HN 0.359 nan 8.250 nan 0.000 0.451 439 I N 0.245 120.954 120.570 0.232 0.000 2.113 439 I HA -0.324 3.848 4.170 0.003 0.000 0.238 439 I C 2.598 178.938 176.117 0.372 0.000 1.070 439 I CA 1.230 62.686 61.300 0.261 0.000 1.332 439 I CB -0.360 37.767 38.000 0.210 0.000 1.044 439 I HN 0.103 nan 8.210 nan 0.000 0.402 440 S N 0.653 116.577 115.700 0.373 0.000 2.368 440 S HA -0.115 4.357 4.470 0.003 0.000 0.224 440 S C 2.081 176.950 174.600 0.449 0.000 1.029 440 S CA 1.213 59.677 58.200 0.441 0.000 0.988 440 S CB -0.375 63.061 63.200 0.393 0.000 0.838 440 S HN 0.285 nan 8.310 nan 0.000 0.462 441 I N 1.235 122.061 120.570 0.425 0.000 2.264 441 I HA -0.226 3.946 4.170 0.003 0.000 0.248 441 I C 2.559 178.944 176.117 0.447 0.000 1.111 441 I CA 1.642 63.204 61.300 0.437 0.000 1.382 441 I CB -0.533 37.776 38.000 0.515 0.000 1.060 441 I HN 0.475 nan 8.210 nan 0.000 0.418 442 H N 1.102 120.423 119.070 0.419 0.000 2.352 442 H HA -0.194 4.364 4.556 0.003 0.000 0.299 442 H C 2.379 177.868 175.328 0.268 0.000 1.097 442 H CA 2.339 58.578 56.048 0.319 0.000 1.311 442 H CB 0.011 29.984 29.762 0.352 0.000 1.377 442 H HN 0.451 nan 8.280 nan 0.000 0.504 443 T N -1.933 112.927 114.554 0.511 0.000 2.942 443 T HA 0.120 4.472 4.350 0.003 0.000 0.265 443 T C 2.260 177.168 174.700 0.346 0.000 1.062 443 T CA 0.977 63.382 62.100 0.508 0.000 1.139 443 T CB -0.516 68.712 68.868 0.599 0.000 0.883 443 T HN 0.346 nan 8.240 nan 0.000 0.468 444 A N 1.796 124.810 122.820 0.323 0.000 1.978 444 A HA 0.296 4.618 4.320 0.003 0.000 0.220 444 A C 2.796 180.518 177.584 0.231 0.000 1.170 444 A CA 1.837 54.062 52.037 0.313 0.000 0.636 444 A CB -1.362 17.897 19.000 0.432 0.000 0.810 444 A HN 0.773 nan 8.150 nan 0.000 0.448 445 A N -0.190 122.718 122.820 0.147 0.000 1.902 445 A HA -0.176 4.146 4.320 0.003 0.000 0.217 445 A C 1.859 179.467 177.584 0.039 0.000 1.181 445 A CA 2.110 54.167 52.037 0.033 0.000 0.623 445 A CB -0.644 18.278 19.000 -0.130 0.000 0.818 445 A HN 0.539 nan 8.150 nan 0.000 0.443 446 D N -2.062 118.381 120.400 0.073 0.000 2.097 446 D HA -0.189 4.453 4.640 0.003 0.000 0.197 446 D C 1.776 178.157 176.300 0.134 0.000 0.984 446 D CA 1.506 55.595 54.000 0.147 0.000 0.826 446 D CB -0.288 40.680 40.800 0.280 0.000 0.973 446 D HN 0.475 nan 8.370 nan 0.000 0.460 447 Y N 1.038 121.227 120.300 -0.185 0.000 2.114 447 Y HA -0.250 4.302 4.550 0.003 0.000 0.282 447 Y C 2.419 178.117 175.900 -0.337 0.000 1.165 447 Y CA 2.510 60.274 58.100 -0.560 0.000 1.148 447 Y CB -0.663 37.148 38.460 -1.082 0.000 0.972 447 Y HN 0.104 nan 8.280 nan 0.000 0.504 448 S N -0.671 114.825 115.700 -0.341 0.000 2.446 448 S HA -0.157 4.315 4.470 0.003 0.000 0.225 448 S C 1.946 176.445 174.600 -0.169 0.000 1.016 448 S CA 0.604 58.586 58.200 -0.364 0.000 0.943 448 S CB -1.063 62.106 63.200 -0.053 0.000 0.786 448 S HN 0.753 nan 8.310 nan 0.000 0.508 449 W N 2.556 123.723 121.300 -0.221 0.000 2.526 449 W HA 0.311 4.973 4.660 0.003 0.000 0.294 449 W C 0.086 176.491 176.519 -0.191 0.000 1.181 449 W CA 0.544 57.782 57.345 -0.179 0.000 1.373 449 W CB -0.163 29.200 29.460 -0.161 0.000 1.112 449 W HN 0.302 nan 8.180 nan 0.000 0.545 450 N N 1.466 120.214 118.700 0.080 0.000 2.841 450 N HA 0.081 4.823 4.740 0.003 0.000 0.257 450 N C 0.710 176.185 175.510 -0.059 0.000 1.396 450 N CA -0.053 52.991 53.050 -0.010 0.000 0.823 450 N CB -0.036 38.533 38.487 0.136 0.000 1.162 450 N HN 0.092 nan 8.380 nan 0.000 0.503 451 M N 0.520 119.998 119.600 -0.204 0.000 2.156 451 M HA -0.077 4.405 4.480 0.003 0.000 0.264 451 M C 1.309 177.565 176.300 -0.073 0.000 1.067 451 M CA 1.448 56.568 55.300 -0.300 0.000 1.131 451 M CB 0.066 32.352 32.600 -0.523 0.000 1.368 451 M HN 0.266 nan 8.290 nan 0.000 0.416 452 D N 0.249 120.613 120.400 -0.060 0.000 2.218 452 D HA -0.156 4.487 4.640 0.003 0.000 0.204 452 D C 0.828 177.151 176.300 0.039 0.000 0.976 452 D CA 0.991 54.987 54.000 -0.006 0.000 0.853 452 D CB -0.075 40.709 40.800 -0.026 0.000 0.939 452 D HN 0.443 nan 8.370 nan 0.000 0.481 453 N N -0.381 118.349 118.700 0.051 0.000 2.236 453 N HA -0.082 4.660 4.740 0.003 0.000 0.196 453 N C -0.113 175.461 175.510 0.106 0.000 1.114 453 N CA -0.221 52.865 53.050 0.059 0.000 0.859 453 N CB 0.179 38.686 38.487 0.033 0.000 0.982 453 N HN 0.243 nan 8.380 nan 0.000 0.493 454 Y N 2.659 122.988 120.300 0.049 0.000 2.632 454 Y HA -0.006 4.546 4.550 0.004 0.000 0.329 454 Y C -0.024 175.941 175.900 0.108 0.000 1.174 454 Y CA 0.013 58.180 58.100 0.112 0.000 1.469 454 Y CB 0.266 38.851 38.460 0.208 0.000 1.242 454 Y HN -0.078 nan 8.280 nan 0.000 0.540 455 D N 5.971 126.029 120.400 -0.569 0.000 2.469 455 D HA 0.013 4.655 4.640 0.003 0.000 0.251 455 D C 0.218 176.090 176.300 -0.715 0.000 1.173 455 D CA -0.555 53.138 54.000 -0.512 0.000 0.882 455 D CB 0.394 41.036 40.800 -0.262 0.000 1.129 455 D HN 0.642 nan 8.370 nan 0.000 0.549 456 Y N 2.657 122.580 120.300 -0.627 0.000 2.224 456 Y HA -0.057 4.495 4.550 0.003 0.000 0.289 456 Y C 1.572 177.457 175.900 -0.025 0.000 1.146 456 Y CA 1.417 59.310 58.100 -0.345 0.000 1.182 456 Y CB -0.469 37.999 38.460 0.013 0.000 0.983 456 Y HN 0.297 nan 8.280 nan 0.000 0.524 457 D N 0.414 120.520 120.400 -0.491 0.000 2.117 457 D HA -0.145 4.497 4.640 0.003 0.000 0.198 457 D C 1.830 178.160 176.300 0.051 0.000 0.982 457 D CA 1.571 55.485 54.000 -0.143 0.000 0.828 457 D CB -0.052 40.564 40.800 -0.307 0.000 0.967 457 D HN 0.410 nan 8.370 nan 0.000 0.464 458 K N -0.266 120.094 120.400 -0.068 0.000 2.103 458 K HA 0.065 4.387 4.320 0.003 0.000 0.204 458 K C 2.108 178.751 176.600 0.071 0.000 1.052 458 K CA 0.870 57.156 56.287 -0.001 0.000 0.945 458 K CB -0.018 32.452 32.500 -0.049 0.000 0.722 458 K HN 0.114 nan 8.250 nan 0.000 0.443 459 A N 0.622 123.494 122.820 0.087 0.000 1.930 459 A HA -0.175 4.147 4.320 0.003 0.000 0.217 459 A C 1.863 179.629 177.584 0.303 0.000 1.175 459 A CA 0.996 53.169 52.037 0.227 0.000 0.627 459 A CB -0.752 18.441 19.000 0.322 0.000 0.815 459 A HN 0.545 nan 8.150 nan 0.000 0.443 460 W N 1.560 122.947 121.300 0.145 0.000 2.333 460 W HA -0.184 4.478 4.660 0.003 0.000 0.316 460 W C 2.062 178.625 176.519 0.074 0.000 1.215 460 W CA 1.953 59.383 57.345 0.142 0.000 1.278 460 W CB -0.337 29.213 29.460 0.149 0.000 1.154 460 W HN 0.360 nan 8.180 nan 0.000 0.486 461 N N 0.077 118.811 118.700 0.057 0.000 2.069 461 N HA -0.194 4.548 4.740 0.003 0.000 0.191 461 N C 1.894 177.312 175.510 -0.152 0.000 1.031 461 N CA 1.796 54.761 53.050 -0.142 0.000 0.852 461 N CB -0.599 37.900 38.487 0.021 0.000 1.018 461 N HN 0.272 nan 8.380 nan 0.000 0.423 462 R N 0.867 121.341 120.500 -0.044 0.000 2.083 462 R HA -0.100 4.242 4.340 0.003 0.000 0.237 462 R C 2.300 178.493 176.300 -0.178 0.000 1.137 462 R CA 1.396 57.476 56.100 -0.033 0.000 0.951 462 R CB -0.375 29.980 30.300 0.091 0.000 0.851 462 R HN 0.205 nan 8.270 nan 0.000 0.434 463 A N 1.221 123.860 122.820 -0.301 0.000 1.873 463 A HA -0.195 4.127 4.320 0.003 0.000 0.218 463 A C 2.153 179.505 177.584 -0.387 0.000 1.193 463 A CA 1.567 53.173 52.037 -0.717 0.000 0.629 463 A CB -0.598 18.222 19.000 -0.301 0.000 0.826 463 A HN 0.244 nan 8.150 nan 0.000 0.447 464 I N -0.422 119.955 120.570 -0.320 0.000 2.315 464 I HA -0.204 3.968 4.170 0.003 0.000 0.248 464 I C 1.878 177.952 176.117 -0.072 0.000 1.117 464 I CA 1.289 62.471 61.300 -0.197 0.000 1.404 464 I CB -0.525 37.186 38.000 -0.481 0.000 1.071 464 I HN 0.248 nan 8.210 nan 0.000 0.419 465 D N 0.930 121.251 120.400 -0.131 0.000 2.097 465 D HA -0.176 4.467 4.640 0.003 0.000 0.195 465 D C 2.307 178.586 176.300 -0.036 0.000 0.989 465 D CA 1.568 55.528 54.000 -0.066 0.000 0.827 465 D CB -0.174 40.587 40.800 -0.065 0.000 0.966 465 D HN 0.310 nan 8.370 nan 0.000 0.456 466 M N -0.294 119.270 119.600 -0.060 0.000 2.254 466 M HA -0.033 4.449 4.480 0.003 0.000 0.265 466 M C 2.102 178.392 176.300 -0.018 0.000 1.066 466 M CA 0.784 56.072 55.300 -0.020 0.000 1.123 466 M CB 0.072 32.692 32.600 0.034 0.000 1.388 466 M HN -0.024 nan 8.290 nan 0.000 0.425 467 L N -2.137 119.066 121.223 -0.034 0.000 2.249 467 L HA -0.072 4.270 4.340 0.003 0.000 0.207 467 L C 1.441 178.130 176.870 -0.301 0.000 1.090 467 L CA 0.840 55.611 54.840 -0.117 0.000 0.802 467 L CB -0.103 41.911 42.059 -0.074 0.000 0.947 467 L HN 0.218 nan 8.230 nan 0.000 0.453 468 Y N -0.646 119.606 120.300 -0.080 0.000 2.444 468 Y HA 0.310 4.862 4.550 0.003 0.000 0.249 468 Y C 1.798 177.662 175.900 -0.060 0.000 1.134 468 Y CA 0.194 58.251 58.100 -0.071 0.000 1.261 468 Y CB 0.128 38.540 38.460 -0.080 0.000 1.143 468 Y HN 0.169 nan 8.280 nan 0.000 0.523 469 G N 1.009 109.826 108.800 0.029 0.000 2.660 469 G HA2 -0.444 3.518 3.960 0.003 0.000 0.321 469 G HA3 -0.444 3.518 3.960 0.003 0.000 0.321 469 G C 0.908 175.817 174.900 0.016 0.000 1.246 469 G CA 1.000 46.102 45.100 0.003 0.000 1.000 469 G HN 0.293 nan 8.290 nan 0.000 0.550 470 D N 0.615 121.019 120.400 0.007 0.000 2.309 470 D HA 0.032 4.674 4.640 0.003 0.000 0.212 470 D C 2.365 178.675 176.300 0.017 0.000 0.968 470 D CA 0.848 54.851 54.000 0.005 0.000 0.882 470 D CB -0.037 40.761 40.800 -0.003 0.000 0.918 470 D HN 0.334 nan 8.370 nan 0.000 0.503 471 L N -0.081 121.169 121.223 0.046 0.000 2.607 471 L HA 0.240 4.582 4.340 0.003 0.000 0.228 471 L C 2.128 179.024 176.870 0.043 0.000 1.123 471 L CA -0.144 54.729 54.840 0.054 0.000 0.890 471 L CB 0.138 42.255 42.059 0.097 0.000 1.103 471 L HN -0.095 nan 8.230 nan 0.000 0.468 472 A N 0.306 123.154 122.820 0.045 0.000 1.908 472 A HA -0.203 4.120 4.320 0.003 0.000 0.218 472 A C 2.180 179.721 177.584 -0.071 0.000 1.181 472 A CA 1.539 53.569 52.037 -0.012 0.000 0.627 472 A CB -0.164 18.827 19.000 -0.015 0.000 0.818 472 A HN 0.314 nan 8.150 nan 0.000 0.445 473 E N 0.279 120.457 120.200 -0.037 0.000 2.072 473 E HA -0.148 4.204 4.350 0.003 0.000 0.191 473 E C 1.569 178.162 176.600 -0.011 0.000 0.985 473 E CA 1.285 57.669 56.400 -0.027 0.000 0.801 473 E CB -0.439 29.255 29.700 -0.011 0.000 0.750 473 E HN 0.579 nan 8.360 nan 0.000 0.452 474 D N 0.336 120.730 120.400 -0.009 0.000 2.117 474 D HA -0.132 4.511 4.640 0.003 0.000 0.198 474 D C 1.946 178.251 176.300 0.008 0.000 0.982 474 D CA 0.791 54.795 54.000 0.006 0.000 0.828 474 D CB -0.230 40.566 40.800 -0.008 0.000 0.967 474 D HN 0.066 nan 8.370 nan 0.000 0.464 475 M N 1.014 120.574 119.600 -0.067 0.000 2.149 475 M HA -0.157 4.325 4.480 0.003 0.000 0.261 475 M C 1.686 177.950 176.300 -0.061 0.000 1.064 475 M CA 1.547 56.764 55.300 -0.139 0.000 1.102 475 M CB -0.026 32.266 32.600 -0.513 0.000 1.369 475 M HN -0.173 nan 8.290 nan 0.000 0.408 476 K N -1.226 119.116 120.400 -0.096 0.000 2.097 476 K HA -0.101 4.221 4.320 0.003 0.000 0.206 476 K C 1.768 178.490 176.600 0.204 0.000 1.049 476 K CA 1.540 57.803 56.287 -0.039 0.000 0.933 476 K CB -0.380 32.058 32.500 -0.103 0.000 0.717 476 K HN 0.233 nan 8.250 nan 0.000 0.442 477 V N 1.120 121.135 119.914 0.169 0.000 2.287 477 V HA -0.265 3.857 4.120 0.003 0.000 0.248 477 V C 1.973 178.261 176.094 0.323 0.000 1.053 477 V CA 1.872 64.307 62.300 0.225 0.000 1.027 477 V CB -0.511 31.413 31.823 0.169 0.000 0.646 477 V HN 0.250 nan 8.190 nan 0.000 0.447 478 F N 1.533 121.556 119.950 0.121 0.000 2.098 478 F HA 0.017 4.546 4.527 0.003 0.000 0.294 478 F C 2.303 178.205 175.800 0.171 0.000 1.107 478 F CA 1.417 59.482 58.000 0.109 0.000 1.234 478 F CB -0.706 38.302 39.000 0.012 0.000 1.002 478 F HN 0.041 nan 8.300 nan 0.000 0.472 479 A N 0.288 123.123 122.820 0.024 0.000 1.972 479 A HA -0.234 4.088 4.320 0.003 0.000 0.219 479 A C 1.975 179.665 177.584 0.175 0.000 1.169 479 A CA 1.756 53.792 52.037 -0.001 0.000 0.635 479 A CB -1.269 17.867 19.000 0.225 0.000 0.810 479 A HN 0.564 nan 8.150 nan 0.000 0.446 480 N N -0.268 118.614 118.700 0.303 0.000 2.258 480 N HA -0.185 4.557 4.740 0.003 0.000 0.187 480 N C 1.350 176.736 175.510 -0.206 0.000 1.012 480 N CA 1.504 54.554 53.050 0.000 0.000 0.870 480 N CB -0.441 38.093 38.487 0.078 0.000 0.977 480 N HN 0.661 nan 8.380 nan 0.000 0.434 481 H N -2.015 116.986 119.070 -0.116 0.000 2.539 481 H HA 0.217 4.775 4.556 0.003 0.000 0.267 481 H C 0.190 175.411 175.328 -0.177 0.000 0.982 481 H CA 0.312 56.279 56.048 -0.135 0.000 1.146 481 H CB 0.401 30.097 29.762 -0.110 0.000 1.382 481 H HN 0.056 nan 8.280 nan 0.000 0.577 482 S N 0.344 115.968 115.700 -0.126 0.000 2.526 482 S HA 0.073 4.545 4.470 0.003 0.000 0.220 482 S C 1.218 175.781 174.600 -0.061 0.000 1.159 482 S CA -0.203 57.916 58.200 -0.135 0.000 1.196 482 S CB -0.056 62.966 63.200 -0.298 0.000 1.225 482 S HN 0.540 nan 8.310 nan 0.000 0.432 483 T N -1.258 113.258 114.554 -0.065 0.000 3.018 483 T HA 0.318 4.670 4.350 0.003 0.000 0.246 483 T C 0.751 175.489 174.700 0.063 0.000 1.026 483 T CA -0.115 61.978 62.100 -0.012 0.000 1.081 483 T CB 0.013 68.767 68.868 -0.191 0.000 0.970 483 T HN 0.240 nan 8.240 nan 0.000 0.475 484 R N 1.792 122.285 120.500 -0.012 0.000 2.234 484 R HA 0.461 4.803 4.340 0.003 0.000 0.324 484 R C -0.550 175.779 176.300 0.049 0.000 1.054 484 R CA -0.498 55.598 56.100 -0.007 0.000 0.912 484 R CB 0.090 30.348 30.300 -0.069 0.000 1.030 484 R HN 0.172 nan 8.270 nan 0.000 0.455 485 M N 2.849 122.514 119.600 0.109 0.000 2.264 485 M HA 0.294 4.776 4.480 0.003 0.000 0.352 485 M C -0.952 175.326 176.300 -0.037 0.000 1.173 485 M CA -0.451 54.902 55.300 0.089 0.000 1.075 485 M CB 1.418 34.149 32.600 0.218 0.000 1.621 485 M HN 0.595 nan 8.290 nan 0.000 0.457 486 D N 2.258 122.536 120.400 -0.202 0.000 2.484 486 D HA 0.089 4.731 4.640 0.003 0.000 0.206 486 D C -0.203 175.675 176.300 -0.702 0.000 1.322 486 D CA -0.261 53.539 54.000 -0.332 0.000 0.913 486 D CB 0.749 41.413 40.800 -0.226 0.000 1.559 486 D HN 0.598 nan 8.370 nan 0.000 0.565 487 N N 3.145 121.449 118.700 -0.660 0.000 2.383 487 N HA -0.025 4.717 4.740 0.003 0.000 0.192 487 N C 0.273 175.507 175.510 -0.460 0.000 1.141 487 N CA 0.012 52.585 53.050 -0.796 0.000 0.851 487 N CB 0.102 38.329 38.487 -0.434 0.000 0.976 487 N HN 0.417 nan 8.380 nan 0.000 0.465 488 K N -1.845 118.339 120.400 -0.360 0.000 3.587 488 K HA -0.169 4.153 4.320 0.003 0.000 0.294 488 K C 0.778 177.299 176.600 -0.132 0.000 1.279 488 K CA 1.746 57.916 56.287 -0.195 0.000 1.004 488 K CB -2.394 30.031 32.500 -0.126 0.000 1.276 488 K HN 0.666 nan 8.250 nan 0.000 0.459 489 T N -3.350 111.104 114.554 -0.168 0.000 2.964 489 T HA 0.220 4.572 4.350 0.003 0.000 0.161 489 T C 1.392 176.058 174.700 -0.056 0.000 0.859 489 T CA 0.161 62.227 62.100 -0.057 0.000 1.015 489 T CB -0.260 68.650 68.868 0.070 0.000 2.138 489 T HN 0.276 nan 8.240 nan 0.000 0.367 490 W N 2.537 123.780 121.300 -0.095 0.000 3.114 490 W HA 0.716 5.378 4.660 0.004 0.000 0.279 490 W C -0.009 176.413 176.519 -0.162 0.000 1.277 490 W CA -0.125 57.152 57.345 -0.113 0.000 1.630 490 W CB -0.204 29.189 29.460 -0.111 0.000 1.087 490 W HN 0.552 nan 8.180 nan 0.000 0.637 491 A N 3.034 125.264 122.820 -0.984 0.000 2.291 491 A HA 0.618 4.940 4.320 0.003 0.000 0.311 491 A C -0.418 176.829 177.584 -0.563 0.000 1.224 491 A CA -0.662 50.725 52.037 -1.084 0.000 0.821 491 A CB 0.597 18.256 19.000 -2.235 0.000 1.172 491 A HN 0.242 nan 8.150 nan 0.000 0.494 492 K N 0.391 120.592 120.400 -0.331 0.000 2.543 492 K HA 0.795 5.117 4.320 0.003 0.000 0.255 492 K C -1.238 175.297 176.600 -0.109 0.000 0.934 492 K CA -0.507 55.672 56.287 -0.181 0.000 0.810 492 K CB 1.921 34.331 32.500 -0.150 0.000 1.315 492 K HN 0.539 nan 8.250 nan 0.000 0.433 493 S N 0.482 116.153 115.700 -0.049 0.000 2.586 493 S HA 0.783 5.255 4.470 0.003 0.000 0.277 493 S C -1.343 173.218 174.600 -0.065 0.000 1.131 493 S CA 0.410 58.579 58.200 -0.051 0.000 0.848 493 S CB 1.505 64.635 63.200 -0.117 0.000 1.091 493 S HN 1.562 nan 8.310 nan 0.000 0.453 494 G N 2.602 111.290 108.800 -0.185 0.000 2.459 494 G HA2 0.086 4.049 3.960 0.003 0.000 0.685 494 G HA3 0.086 4.049 3.960 0.003 0.000 0.685 494 G C -1.085 173.554 174.900 -0.435 0.000 1.303 494 G CA -0.849 44.022 45.100 -0.382 0.000 0.907 494 G HN 0.768 nan 8.290 nan 0.000 0.632 495 R N 0.559 120.618 120.500 -0.736 0.000 2.585 495 R HA 0.130 4.472 4.340 0.003 0.000 0.275 495 R C 0.462 176.475 176.300 -0.478 0.000 1.018 495 R CA -0.177 55.339 56.100 -0.973 0.000 1.072 495 R CB 0.235 30.060 30.300 -0.791 0.000 0.953 495 R HN 0.540 nan 8.270 nan 0.000 0.419 496 E N 2.517 122.486 120.200 -0.386 0.000 2.481 496 E HA -0.076 4.276 4.350 0.003 0.000 0.263 496 E C -0.403 176.059 176.600 -0.229 0.000 0.992 496 E CA 0.408 56.673 56.400 -0.225 0.000 0.938 496 E CB 0.326 29.932 29.700 -0.157 0.000 0.933 496 E HN 0.436 nan 8.360 nan 0.000 0.453 497 D N 0.788 121.082 120.400 -0.176 0.000 2.443 497 D HA 0.089 4.731 4.640 0.003 0.000 0.239 497 D C 0.301 176.457 176.300 -0.241 0.000 1.136 497 D CA 0.415 54.295 54.000 -0.199 0.000 0.879 497 D CB 0.403 41.133 40.800 -0.118 0.000 1.195 497 D HN 0.498 nan 8.370 nan 0.000 0.443 498 A N 3.644 126.252 122.820 -0.353 0.000 2.151 498 A HA -0.154 4.168 4.320 0.003 0.000 0.271 498 A C -1.102 176.349 177.584 -0.222 0.000 1.348 498 A CA 0.061 51.872 52.037 -0.378 0.000 0.763 498 A CB -0.898 17.696 19.000 -0.676 0.000 1.117 498 A HN 0.457 nan 8.150 nan 0.000 0.342 499 P HA -0.182 nan 4.420 nan 0.000 0.219 499 P C 1.274 178.523 177.300 -0.086 0.000 1.150 499 P CA 1.547 64.579 63.100 -0.113 0.000 0.814 499 P CB 0.105 31.746 31.700 -0.098 0.000 0.787 500 E N -0.020 120.124 120.200 -0.093 0.000 2.158 500 E HA -0.088 4.264 4.350 0.003 0.000 0.191 500 E C 2.105 178.652 176.600 -0.088 0.000 0.982 500 E CA 0.495 56.849 56.400 -0.075 0.000 0.823 500 E CB -1.297 28.364 29.700 -0.065 0.000 0.766 500 E HN 0.177 nan 8.360 nan 0.000 0.468 501 L N 1.843 123.002 121.223 -0.107 0.000 2.017 501 L HA -0.095 4.247 4.340 0.003 0.000 0.208 501 L C 2.614 179.429 176.870 -0.092 0.000 1.073 501 L CA 1.694 56.467 54.840 -0.112 0.000 0.745 501 L CB -0.619 41.387 42.059 -0.089 0.000 0.894 501 L HN -0.020 nan 8.230 nan 0.000 0.432 502 R N 0.610 121.072 120.500 -0.063 0.000 2.103 502 R HA -0.130 4.212 4.340 0.003 0.000 0.242 502 R C 2.077 178.373 176.300 -0.006 0.000 1.142 502 R CA 1.980 58.072 56.100 -0.013 0.000 0.960 502 R CB -1.290 29.005 30.300 -0.008 0.000 0.858 502 R HN 0.522 nan 8.270 nan 0.000 0.439 503 A N 0.578 123.382 122.820 -0.028 0.000 1.930 503 A HA -0.122 4.200 4.320 0.003 0.000 0.217 503 A C 2.073 179.631 177.584 -0.043 0.000 1.175 503 A CA 1.646 53.671 52.037 -0.020 0.000 0.627 503 A CB -0.356 18.629 19.000 -0.024 0.000 0.815 503 A HN 0.428 nan 8.150 nan 0.000 0.443 504 K N -0.875 119.474 120.400 -0.084 0.000 2.057 504 K HA -0.061 4.261 4.320 0.003 0.000 0.206 504 K C 2.064 178.562 176.600 -0.171 0.000 1.050 504 K CA 1.648 57.856 56.287 -0.131 0.000 0.935 504 K CB -0.293 32.103 32.500 -0.174 0.000 0.715 504 K HN 0.485 nan 8.250 nan 0.000 0.439 505 M N 1.054 120.554 119.600 -0.166 0.000 2.080 505 M HA -0.202 4.280 4.480 0.003 0.000 0.260 505 M C 1.454 177.684 176.300 -0.117 0.000 1.068 505 M CA 1.497 56.696 55.300 -0.169 0.000 1.109 505 M CB -0.270 32.335 32.600 0.009 0.000 1.342 505 M HN 0.060 nan 8.290 nan 0.000 0.405 506 D N 0.033 120.464 120.400 0.052 0.000 2.123 506 D HA -0.183 4.459 4.640 0.003 0.000 0.196 506 D C 1.869 178.217 176.300 0.080 0.000 0.992 506 D CA 1.322 55.413 54.000 0.151 0.000 0.833 506 D CB -0.347 40.528 40.800 0.124 0.000 0.954 506 D HN 0.315 nan 8.370 nan 0.000 0.455 507 E N 0.298 120.493 120.200 -0.008 0.000 2.150 507 E HA -0.105 4.247 4.350 0.003 0.000 0.193 507 E C 1.926 178.488 176.600 -0.064 0.000 0.985 507 E CA 0.211 56.600 56.400 -0.019 0.000 0.814 507 E CB -0.300 29.377 29.700 -0.038 0.000 0.752 507 E HN 0.161 nan 8.360 nan 0.000 0.466 508 L N -0.524 120.583 121.223 -0.195 0.000 2.012 508 L HA -0.103 4.239 4.340 0.003 0.000 0.210 508 L C 1.936 178.675 176.870 -0.219 0.000 1.073 508 L CA 1.974 56.624 54.840 -0.317 0.000 0.748 508 L CB -0.700 41.011 42.059 -0.580 0.000 0.891 508 L HN 0.312 nan 8.230 nan 0.000 0.431 509 W N -0.404 120.889 121.300 -0.012 0.000 2.358 509 W HA -0.192 4.470 4.660 0.003 0.000 0.303 509 W C 2.465 179.026 176.519 0.069 0.000 1.208 509 W CA 0.405 57.737 57.345 -0.022 0.000 1.274 509 W CB -0.501 28.987 29.460 0.047 0.000 1.138 509 W HN 0.232 nan 8.180 nan 0.000 0.515 510 N N 0.823 119.683 118.700 0.268 0.000 2.069 510 N HA -0.154 4.588 4.740 0.003 0.000 0.191 510 N C 1.450 177.044 175.510 0.140 0.000 1.031 510 N CA 1.543 54.701 53.050 0.180 0.000 0.852 510 N CB -0.603 37.955 38.487 0.118 0.000 1.018 510 N HN 0.227 nan 8.380 nan 0.000 0.423 511 K N 0.574 121.028 120.400 0.090 0.000 2.025 511 K HA 0.014 4.336 4.320 0.003 0.000 0.207 511 K C 2.182 178.843 176.600 0.102 0.000 1.049 511 K CA 0.692 57.018 56.287 0.065 0.000 0.933 511 K CB -0.227 32.281 32.500 0.014 0.000 0.714 511 K HN 0.120 nan 8.250 nan 0.000 0.438 512 L N 1.089 122.386 121.223 0.122 0.000 2.046 512 L HA -0.191 4.151 4.340 0.003 0.000 0.208 512 L C 2.607 179.680 176.870 0.338 0.000 1.077 512 L CA 1.534 56.489 54.840 0.192 0.000 0.747 512 L CB -0.589 41.530 42.059 0.099 0.000 0.896 512 L HN 0.275 nan 8.230 nan 0.000 0.432 513 S N -2.238 113.700 115.700 0.398 0.000 2.489 513 S HA -0.050 4.422 4.470 0.003 0.000 0.228 513 S C 1.760 176.465 174.600 0.175 0.000 0.995 513 S CA 0.819 59.222 58.200 0.337 0.000 0.934 513 S CB -0.047 63.351 63.200 0.330 0.000 0.771 513 S HN 0.261 nan 8.310 nan 0.000 0.522 514 S N 1.175 116.965 115.700 0.149 0.000 2.575 514 S HA 0.310 4.782 4.470 0.003 0.000 0.215 514 S C 0.254 174.904 174.600 0.082 0.000 0.966 514 S CA -0.237 58.020 58.200 0.095 0.000 0.911 514 S CB -0.269 62.978 63.200 0.080 0.000 0.780 514 S HN 0.606 nan 8.310 nan 0.000 0.514 515 K N 0.969 121.430 120.400 0.101 0.000 3.160 515 K HA -0.174 4.148 4.320 0.003 0.000 0.280 515 K C -0.623 176.014 176.600 0.061 0.000 1.154 515 K CA 0.653 56.989 56.287 0.081 0.000 0.822 515 K CB -1.226 31.310 32.500 0.060 0.000 1.239 515 K HN 0.523 nan 8.250 nan 0.000 0.489 516 E N 0.665 120.901 120.200 0.060 0.000 2.283 516 E HA 0.110 4.462 4.350 0.003 0.000 0.267 516 E C -0.286 176.334 176.600 0.034 0.000 1.045 516 E CA -0.877 55.548 56.400 0.041 0.000 0.884 516 E CB 0.779 30.500 29.700 0.036 0.000 1.106 516 E HN 0.072 nan 8.360 nan 0.000 0.408 517 D N 0.673 121.087 120.400 0.024 0.000 2.401 517 D HA 0.089 4.731 4.640 0.003 0.000 0.254 517 D C -0.504 175.800 176.300 0.006 0.000 1.192 517 D CA 0.174 54.185 54.000 0.018 0.000 0.885 517 D CB 0.879 41.687 40.800 0.014 0.000 1.147 517 D HN 0.449 nan 8.370 nan 0.000 0.478 518 A N 3.108 125.929 122.820 0.002 0.000 2.564 518 A HA 0.174 4.496 4.320 0.003 0.000 0.279 518 A C 1.926 179.497 177.584 -0.022 0.000 1.232 518 A CA -0.275 51.748 52.037 -0.022 0.000 0.950 518 A CB 0.104 19.077 19.000 -0.044 0.000 1.138 518 A HN 0.483 nan 8.150 nan 0.000 0.526 519 S N 0.531 116.230 115.700 -0.002 0.000 2.353 519 S HA -0.182 4.290 4.470 0.003 0.000 0.222 519 S C 2.356 176.959 174.600 0.005 0.000 1.035 519 S CA 1.748 59.955 58.200 0.012 0.000 1.025 519 S CB -0.216 62.994 63.200 0.016 0.000 0.902 519 S HN 0.862 nan 8.310 nan 0.000 0.440 520 A N 0.847 123.662 122.820 -0.009 0.000 1.930 520 A HA -0.004 4.318 4.320 0.003 0.000 0.217 520 A C 2.087 179.648 177.584 -0.038 0.000 1.175 520 A CA 1.183 53.209 52.037 -0.018 0.000 0.627 520 A CB -0.588 18.400 19.000 -0.020 0.000 0.815 520 A HN 0.410 nan 8.150 nan 0.000 0.443 521 L N 0.077 121.266 121.223 -0.057 0.000 2.056 521 L HA -0.047 4.295 4.340 0.003 0.000 0.207 521 L C 2.200 178.992 176.870 -0.129 0.000 1.078 521 L CA 1.522 56.302 54.840 -0.101 0.000 0.749 521 L CB -0.589 41.403 42.059 -0.111 0.000 0.901 521 L HN 0.435 nan 8.230 nan 0.000 0.433 522 I N -0.505 120.010 120.570 -0.091 0.000 2.118 522 I HA -0.346 3.826 4.170 0.003 0.000 0.241 522 I C 2.506 178.625 176.117 0.003 0.000 1.070 522 I CA 1.662 62.911 61.300 -0.084 0.000 1.327 522 I CB -0.401 37.596 38.000 -0.004 0.000 1.034 522 I HN 0.368 nan 8.210 nan 0.000 0.405 523 E N 0.448 120.696 120.200 0.080 0.000 2.038 523 E HA -0.306 4.046 4.350 0.003 0.000 0.195 523 E C 2.154 178.771 176.600 0.028 0.000 1.000 523 E CA 1.607 58.081 56.400 0.123 0.000 0.803 523 E CB -0.096 29.635 29.700 0.052 0.000 0.750 523 E HN 0.435 nan 8.360 nan 0.000 0.448 524 E N 0.385 120.550 120.200 -0.059 0.000 2.097 524 E HA -0.220 4.132 4.350 0.003 0.000 0.196 524 E C 2.188 178.649 176.600 -0.233 0.000 1.000 524 E CA 0.963 57.291 56.400 -0.120 0.000 0.804 524 E CB -0.020 29.603 29.700 -0.129 0.000 0.740 524 E HN 0.224 nan 8.360 nan 0.000 0.454 525 L N -0.405 120.609 121.223 -0.350 0.000 2.093 525 L HA -0.165 4.177 4.340 0.003 0.000 0.208 525 L C 2.264 178.637 176.870 -0.829 0.000 1.085 525 L CA 0.923 55.322 54.840 -0.735 0.000 0.755 525 L CB -0.461 41.128 42.059 -0.783 0.000 0.904 525 L HN 0.255 nan 8.230 nan 0.000 0.435 526 Y N 0.320 120.418 120.300 -0.336 0.000 2.128 526 Y HA -0.260 4.292 4.550 0.003 0.000 0.284 526 Y C 2.646 178.464 175.900 -0.136 0.000 1.154 526 Y CA 1.218 59.243 58.100 -0.125 0.000 1.149 526 Y CB -0.747 37.698 38.460 -0.025 0.000 0.976 526 Y HN 0.188 nan 8.280 nan 0.000 0.505 527 G N -0.330 108.477 108.800 0.012 0.000 2.513 527 G HA2 -0.366 3.596 3.960 0.003 0.000 0.219 527 G HA3 -0.366 3.596 3.960 0.003 0.000 0.219 527 G C 1.405 176.258 174.900 -0.078 0.000 1.160 527 G CA 1.537 46.617 45.100 -0.032 0.000 0.767 527 G HN 0.309 nan 8.290 nan 0.000 0.571 528 E N 0.007 120.072 120.200 -0.226 0.000 2.051 528 E HA -0.046 4.306 4.350 0.003 0.000 0.192 528 E C 2.226 178.794 176.600 -0.054 0.000 0.991 528 E CA 0.857 57.127 56.400 -0.217 0.000 0.799 528 E CB -0.326 29.113 29.700 -0.435 0.000 0.748 528 E HN 0.439 nan 8.360 nan 0.000 0.449 529 F N 0.006 119.947 119.950 -0.015 0.000 2.206 529 F HA 0.093 4.622 4.527 0.003 0.000 0.298 529 F C 2.232 178.045 175.800 0.022 0.000 1.090 529 F CA 0.790 58.784 58.000 -0.010 0.000 1.323 529 F CB -1.249 37.742 39.000 -0.016 0.000 1.028 529 F HN 0.058 nan 8.300 nan 0.000 0.492 530 A N 0.074 123.017 122.820 0.205 0.000 1.933 530 A HA -0.198 4.124 4.320 0.003 0.000 0.218 530 A C 2.285 179.920 177.584 0.086 0.000 1.175 530 A CA 1.759 53.874 52.037 0.129 0.000 0.628 530 A CB -0.657 18.402 19.000 0.098 0.000 0.814 530 A HN 0.247 nan 8.150 nan 0.000 0.444 531 R N -0.467 120.076 120.500 0.072 0.000 2.115 531 R HA 0.043 4.385 4.340 0.003 0.000 0.230 531 R C 1.946 178.289 176.300 0.072 0.000 1.111 531 R CA 1.823 57.957 56.100 0.056 0.000 0.976 531 R CB -0.588 29.736 30.300 0.040 0.000 0.870 531 R HN 0.559 nan 8.270 nan 0.000 0.445 532 M N -0.196 119.461 119.600 0.095 0.000 2.086 532 M HA -0.139 4.343 4.480 0.003 0.000 0.261 532 M C 2.231 178.564 176.300 0.054 0.000 1.067 532 M CA 2.198 57.546 55.300 0.080 0.000 1.116 532 M CB -0.374 32.257 32.600 0.051 0.000 1.348 532 M HN 0.234 nan 8.290 nan 0.000 0.407 533 E N 0.532 120.765 120.200 0.054 0.000 2.058 533 E HA -0.268 4.084 4.350 0.003 0.000 0.194 533 E C 1.960 178.573 176.600 0.022 0.000 0.997 533 E CA 1.595 58.016 56.400 0.034 0.000 0.801 533 E CB -0.043 29.682 29.700 0.042 0.000 0.746 533 E HN 0.502 nan 8.360 nan 0.000 0.450 534 E N -0.010 120.208 120.200 0.029 0.000 2.051 534 E HA -0.240 4.112 4.350 0.003 0.000 0.192 534 E C 1.988 178.593 176.600 0.008 0.000 0.991 534 E CA 1.125 57.535 56.400 0.017 0.000 0.799 534 E CB -0.204 29.509 29.700 0.021 0.000 0.748 534 E HN 0.317 nan 8.360 nan 0.000 0.449 535 A N 0.727 123.560 122.820 0.022 0.000 1.883 535 A HA -0.212 4.110 4.320 0.003 0.000 0.217 535 A C 2.549 180.122 177.584 -0.018 0.000 1.186 535 A CA 1.590 53.638 52.037 0.017 0.000 0.624 535 A CB -1.031 18.002 19.000 0.056 0.000 0.822 535 A HN 0.544 nan 8.150 nan 0.000 0.444 536 C N -0.490 118.800 119.300 -0.017 0.000 2.453 536 C HA -0.078 4.384 4.460 0.003 0.000 0.277 536 C C 2.690 177.625 174.990 -0.091 0.000 1.262 536 C CA 1.037 60.004 59.018 -0.084 0.000 1.718 536 C CB -1.491 26.222 27.740 -0.044 0.000 2.031 536 C HN 0.644 nan 8.230 nan 0.000 0.480 537 N N 1.468 120.138 118.700 -0.049 0.000 2.061 537 N HA -0.149 4.593 4.740 0.003 0.000 0.193 537 N C 1.460 176.941 175.510 -0.049 0.000 1.030 537 N CA 1.549 54.572 53.050 -0.044 0.000 0.856 537 N CB -0.806 37.667 38.487 -0.024 0.000 1.023 537 N HN 0.553 nan 8.380 nan 0.000 0.424 538 N N 0.736 119.411 118.700 -0.042 0.000 2.188 538 N HA 0.001 4.743 4.740 0.003 0.000 0.184 538 N C 1.746 177.223 175.510 -0.055 0.000 1.018 538 N CA 0.619 53.645 53.050 -0.039 0.000 0.858 538 N CB -0.193 38.279 38.487 -0.025 0.000 0.989 538 N HN 0.194 nan 8.380 nan 0.000 0.426 539 L N 0.233 121.405 121.223 -0.086 0.000 2.046 539 L HA -0.135 4.207 4.340 0.003 0.000 0.208 539 L C 2.278 179.077 176.870 -0.119 0.000 1.077 539 L CA 1.175 55.943 54.840 -0.120 0.000 0.747 539 L CB -0.339 41.585 42.059 -0.226 0.000 0.896 539 L HN 0.154 nan 8.230 nan 0.000 0.432 540 K N 0.011 120.337 120.400 -0.122 0.000 2.063 540 K HA -0.166 4.156 4.320 0.003 0.000 0.208 540 K C 2.131 178.691 176.600 -0.066 0.000 1.048 540 K CA 1.529 57.757 56.287 -0.098 0.000 0.928 540 K CB -0.240 32.208 32.500 -0.086 0.000 0.713 540 K HN 0.312 nan 8.250 nan 0.000 0.442 541 A N 0.802 123.590 122.820 -0.054 0.000 2.067 541 A HA -0.029 4.293 4.320 0.003 0.000 0.217 541 A C 1.401 178.964 177.584 -0.035 0.000 1.156 541 A CA 1.071 53.085 52.037 -0.039 0.000 0.683 541 A CB 0.068 19.048 19.000 -0.032 0.000 0.808 541 A HN 0.225 nan 8.150 nan 0.000 0.455 542 N N -1.328 117.350 118.700 -0.036 0.000 2.168 542 N HA 0.202 4.944 4.740 0.003 0.000 0.216 542 N C -0.121 175.377 175.510 -0.020 0.000 1.259 542 N CA -0.159 52.875 53.050 -0.026 0.000 0.902 542 N CB 0.342 38.817 38.487 -0.020 0.000 1.079 542 N HN 0.295 nan 8.380 nan 0.000 0.507 543 L N 3.219 124.428 121.223 -0.023 0.000 2.525 543 L HA 0.088 4.430 4.340 0.003 0.000 0.278 543 L C -1.846 175.012 176.870 -0.020 0.000 1.218 543 L CA -0.940 53.898 54.840 -0.003 0.000 0.878 543 L CB -0.012 42.039 42.059 -0.012 0.000 1.127 543 L HN -0.154 nan 8.230 nan 0.000 0.492 544 P HA -0.038 nan 4.420 nan 0.000 0.269 544 P C 0.405 177.681 177.300 -0.039 0.000 1.209 544 P CA -0.149 62.925 63.100 -0.044 0.000 0.776 544 P CB 0.531 32.189 31.700 -0.070 0.000 0.876 545 E N 1.683 121.859 120.200 -0.040 0.000 2.130 545 E HA -0.202 4.150 4.350 0.003 0.000 0.196 545 E C 1.591 178.170 176.600 -0.036 0.000 0.998 545 E CA 1.117 57.496 56.400 -0.035 0.000 0.806 545 E CB -0.139 29.542 29.700 -0.032 0.000 0.738 545 E HN 0.173 nan 8.360 nan 0.000 0.459 546 V N 0.408 120.294 119.914 -0.047 0.000 2.392 546 V HA -0.269 3.853 4.120 0.003 0.000 0.249 546 V C 2.060 178.128 176.094 -0.044 0.000 1.059 546 V CA 2.279 64.546 62.300 -0.054 0.000 1.051 546 V CB -0.323 31.450 31.823 -0.083 0.000 0.658 546 V HN 0.478 nan 8.190 nan 0.000 0.455 547 A N -0.758 122.041 122.820 -0.034 0.000 1.871 547 A HA 0.021 4.343 4.320 0.003 0.000 0.211 547 A C 2.023 179.604 177.584 -0.004 0.000 1.207 547 A CA 1.312 53.354 52.037 0.008 0.000 0.620 547 A CB -0.695 18.351 19.000 0.076 0.000 0.860 547 A HN 0.500 nan 8.150 nan 0.000 0.450 548 L N 1.375 122.584 121.223 -0.023 0.000 2.042 548 L HA -0.230 4.112 4.340 0.003 0.000 0.210 548 L C 2.486 179.329 176.870 -0.045 0.000 1.076 548 L CA 2.849 57.659 54.840 -0.050 0.000 0.749 548 L CB -0.763 41.264 42.059 -0.052 0.000 0.893 548 L HN 0.695 nan 8.230 nan 0.000 0.432 549 E N -1.019 119.164 120.200 -0.029 0.000 2.267 549 E HA -0.269 4.083 4.350 0.003 0.000 0.197 549 E C 1.539 178.130 176.600 -0.016 0.000 0.998 549 E CA 1.688 58.078 56.400 -0.017 0.000 0.830 549 E CB -0.480 29.218 29.700 -0.004 0.000 0.751 549 E HN 0.712 nan 8.360 nan 0.000 0.491 550 E N -0.027 120.152 120.200 -0.034 0.000 2.385 550 E HA -0.015 4.337 4.350 0.003 0.000 0.194 550 E C 1.555 178.043 176.600 -0.188 0.000 1.013 550 E CA 0.926 57.259 56.400 -0.112 0.000 0.866 550 E CB 0.416 30.064 29.700 -0.086 0.000 0.832 550 E HN 0.586 nan 8.360 nan 0.000 0.500 551 C N -1.110 118.137 119.300 -0.088 0.000 3.657 551 C HA 0.313 4.775 4.460 0.003 0.000 0.291 551 C C 2.430 177.385 174.990 -0.059 0.000 1.572 551 C CA -0.144 58.850 59.018 -0.039 0.000 1.818 551 C CB -0.631 27.127 27.740 0.030 0.000 2.903 551 C HN 0.212 nan 8.230 nan 0.000 0.632 552 S N 2.343 118.005 115.700 -0.063 0.000 2.383 552 S HA -0.205 4.267 4.470 0.003 0.000 0.229 552 S C 1.904 176.487 174.600 -0.028 0.000 1.030 552 S CA 1.358 59.519 58.200 -0.066 0.000 1.002 552 S CB -0.548 62.623 63.200 -0.048 0.000 0.829 552 S HN 0.774 nan 8.310 nan 0.000 0.467 553 R N 0.903 121.413 120.500 0.016 0.000 2.090 553 R HA 0.054 4.396 4.340 0.003 0.000 0.228 553 R C 2.623 178.961 176.300 0.064 0.000 1.110 553 R CA 1.475 57.606 56.100 0.052 0.000 0.973 553 R CB -0.313 30.055 30.300 0.113 0.000 0.869 553 R HN 0.429 nan 8.270 nan 0.000 0.440 554 Q N 0.145 120.001 119.800 0.094 0.000 2.172 554 Q HA -0.051 4.291 4.340 0.003 0.000 0.200 554 Q C 1.803 177.959 176.000 0.261 0.000 0.964 554 Q CA 0.786 56.696 55.803 0.179 0.000 0.855 554 Q CB -0.036 28.858 28.738 0.260 0.000 0.918 554 Q HN 0.104 nan 8.270 nan 0.000 0.444 555 L N 0.830 122.095 121.223 0.071 0.000 1.989 555 L HA -0.205 4.137 4.340 0.003 0.000 0.211 555 L C 1.527 178.390 176.870 -0.012 0.000 1.071 555 L CA 1.935 56.711 54.840 -0.107 0.000 0.749 555 L CB -1.071 40.807 42.059 -0.302 0.000 0.890 555 L HN 0.199 nan 8.230 nan 0.000 0.431 556 D N -0.766 119.627 120.400 -0.012 0.000 2.123 556 D HA -0.194 4.448 4.640 0.003 0.000 0.196 556 D C 2.261 178.571 176.300 0.016 0.000 0.992 556 D CA 0.978 54.977 54.000 -0.001 0.000 0.833 556 D CB 0.088 40.889 40.800 0.001 0.000 0.954 556 D HN 0.366 nan 8.370 nan 0.000 0.455 557 E N -0.477 119.744 120.200 0.036 0.000 2.106 557 E HA -0.135 4.217 4.350 0.003 0.000 0.192 557 E C 1.990 178.602 176.600 0.020 0.000 0.984 557 E CA 0.281 56.697 56.400 0.026 0.000 0.806 557 E CB -0.021 29.694 29.700 0.025 0.000 0.750 557 E HN 0.148 nan 8.360 nan 0.000 0.458 558 L N 0.960 122.214 121.223 0.052 0.000 2.141 558 L HA -0.103 4.239 4.340 0.003 0.000 0.209 558 L C 2.017 178.875 176.870 -0.019 0.000 1.094 558 L CA 1.096 55.941 54.840 0.008 0.000 0.763 558 L CB -0.179 41.924 42.059 0.074 0.000 0.908 558 L HN 0.121 nan 8.230 nan 0.000 0.437 559 I N -1.297 119.274 120.570 0.002 0.000 2.142 559 I HA -0.332 3.840 4.170 0.003 0.000 0.240 559 I C 2.231 178.339 176.117 -0.015 0.000 1.078 559 I CA 1.732 63.028 61.300 -0.007 0.000 1.343 559 I CB -0.649 37.347 38.000 -0.006 0.000 1.046 559 I HN 0.220 nan 8.210 nan 0.000 0.405 560 T N 1.406 115.952 114.554 -0.013 0.000 2.665 560 T HA -0.193 4.159 4.350 0.003 0.000 0.268 560 T C 1.924 176.604 174.700 -0.033 0.000 1.035 560 T CA 1.477 63.567 62.100 -0.017 0.000 1.151 560 T CB -0.384 68.478 68.868 -0.009 0.000 0.862 560 T HN 0.236 nan 8.240 nan 0.000 0.438 561 L N 0.541 121.738 121.223 -0.045 0.000 2.056 561 L HA -0.070 4.272 4.340 0.003 0.000 0.207 561 L C 3.050 179.842 176.870 -0.130 0.000 1.078 561 L CA 1.156 55.953 54.840 -0.072 0.000 0.749 561 L CB -0.685 41.333 42.059 -0.068 0.000 0.901 561 L HN 0.248 nan 8.230 nan 0.000 0.433 562 A N -0.312 122.438 122.820 -0.117 0.000 1.902 562 A HA -0.256 4.066 4.320 0.003 0.000 0.217 562 A C 2.211 179.735 177.584 -0.101 0.000 1.181 562 A CA 1.598 53.562 52.037 -0.122 0.000 0.623 562 A CB -0.458 18.532 19.000 -0.016 0.000 0.818 562 A HN 0.483 nan 8.150 nan 0.000 0.443 563 Q N -0.847 118.926 119.800 -0.046 0.000 2.167 563 Q HA -0.073 4.269 4.340 0.003 0.000 0.202 563 Q C 2.154 178.133 176.000 -0.035 0.000 0.970 563 Q CA 1.078 56.873 55.803 -0.014 0.000 0.855 563 Q CB -0.376 28.361 28.738 -0.001 0.000 0.911 563 Q HN 0.687 nan 8.270 nan 0.000 0.438 564 G N 0.922 109.682 108.800 -0.066 0.000 2.408 564 G HA2 -0.231 3.731 3.960 0.003 0.000 0.217 564 G HA3 -0.231 3.731 3.960 0.003 0.000 0.217 564 G C 0.892 175.734 174.900 -0.097 0.000 1.150 564 G CA 0.816 45.879 45.100 -0.062 0.000 0.776 564 G HN 0.211 nan 8.290 nan 0.000 0.542 565 D N 0.307 120.556 120.400 -0.252 0.000 2.144 565 D HA -0.069 4.573 4.640 0.003 0.000 0.200 565 D C 2.299 178.390 176.300 -0.349 0.000 0.978 565 D CA 0.689 54.378 54.000 -0.519 0.000 0.833 565 D CB -0.067 39.770 40.800 -1.605 0.000 0.961 565 D HN 0.198 nan 8.370 nan 0.000 0.470 566 K N 1.253 121.560 120.400 -0.156 0.000 2.002 566 K HA -0.059 4.263 4.320 0.003 0.000 0.209 566 K C 1.951 178.647 176.600 0.159 0.000 1.048 566 K CA 1.244 57.624 56.287 0.156 0.000 0.930 566 K CB -0.272 32.370 32.500 0.237 0.000 0.714 566 K HN 0.012 nan 8.250 nan 0.000 0.438 567 A N 0.835 123.708 122.820 0.088 0.000 1.978 567 A HA -0.129 4.193 4.320 0.003 0.000 0.220 567 A C 2.282 179.904 177.584 0.064 0.000 1.170 567 A CA 2.106 54.189 52.037 0.076 0.000 0.636 567 A CB -0.535 18.482 19.000 0.028 0.000 0.810 567 A HN 0.425 nan 8.150 nan 0.000 0.448 568 S N -0.181 115.547 115.700 0.048 0.000 2.368 568 S HA -0.090 4.382 4.470 0.003 0.000 0.225 568 S C 1.802 176.454 174.600 0.086 0.000 1.030 568 S CA 1.436 59.662 58.200 0.043 0.000 0.999 568 S CB -0.414 62.786 63.200 0.001 0.000 0.844 568 S HN 0.545 nan 8.310 nan 0.000 0.459 569 L N 1.289 122.570 121.223 0.097 0.000 2.056 569 L HA -0.137 4.205 4.340 0.003 0.000 0.207 569 L C 2.150 179.086 176.870 0.111 0.000 1.078 569 L CA 1.060 55.895 54.840 -0.008 0.000 0.749 569 L CB -0.714 41.062 42.059 -0.472 0.000 0.901 569 L HN 0.181 nan 8.230 nan 0.000 0.433 570 D N -0.115 120.410 120.400 0.208 0.000 2.133 570 D HA -0.233 4.409 4.640 0.003 0.000 0.195 570 D C 2.307 178.722 176.300 0.192 0.000 0.997 570 D CA 1.354 55.502 54.000 0.247 0.000 0.840 570 D CB -0.127 40.794 40.800 0.202 0.000 0.947 570 D HN 0.243 nan 8.370 nan 0.000 0.452 571 M N -0.131 119.569 119.600 0.165 0.000 2.073 571 M HA -0.184 4.298 4.480 0.003 0.000 0.258 571 M C 2.328 178.817 176.300 0.316 0.000 1.070 571 M CA 1.303 56.749 55.300 0.244 0.000 1.103 571 M CB -0.339 32.372 32.600 0.185 0.000 1.321 571 M HN 0.030 nan 8.290 nan 0.000 0.405 572 I N -0.654 120.046 120.570 0.216 0.000 2.163 572 I HA -0.282 3.890 4.170 0.003 0.000 0.243 572 I C 2.299 178.507 176.117 0.152 0.000 1.085 572 I CA 1.161 62.563 61.300 0.171 0.000 1.347 572 I CB -0.458 37.590 38.000 0.080 0.000 1.044 572 I HN 0.074 nan 8.210 nan 0.000 0.408 573 V N 0.957 120.964 119.914 0.156 0.000 2.343 573 V HA -0.306 3.816 4.120 0.003 0.000 0.247 573 V C 2.731 178.909 176.094 0.140 0.000 1.051 573 V CA 1.937 64.327 62.300 0.149 0.000 1.036 573 V CB -1.090 30.848 31.823 0.192 0.000 0.654 573 V HN 0.511 nan 8.190 nan 0.000 0.451 574 A N -0.688 122.234 122.820 0.171 0.000 1.892 574 A HA -0.338 3.984 4.320 0.003 0.000 0.218 574 A C 2.183 179.843 177.584 0.127 0.000 1.188 574 A CA 2.269 54.406 52.037 0.168 0.000 0.631 574 A CB -0.542 18.603 19.000 0.241 0.000 0.822 574 A HN 0.640 nan 8.150 nan 0.000 0.447 575 Q N -0.712 119.158 119.800 0.116 0.000 2.084 575 Q HA -0.085 4.257 4.340 0.003 0.000 0.202 575 Q C 2.097 178.123 176.000 0.043 0.000 0.978 575 Q CA 1.412 57.226 55.803 0.018 0.000 0.844 575 Q CB -0.308 28.429 28.738 -0.003 0.000 0.898 575 Q HN 0.691 nan 8.270 nan 0.000 0.426 576 L N 0.694 121.962 121.223 0.076 0.000 2.093 576 L HA -0.167 4.175 4.340 0.003 0.000 0.208 576 L C 1.597 178.500 176.870 0.055 0.000 1.085 576 L CA 0.690 55.570 54.840 0.067 0.000 0.755 576 L CB -0.246 41.858 42.059 0.074 0.000 0.904 576 L HN 0.203 nan 8.230 nan 0.000 0.435 577 N N 0.267 119.004 118.700 0.061 0.000 2.461 577 N HA -0.053 4.689 4.740 0.003 0.000 0.188 577 N C -0.212 175.323 175.510 0.043 0.000 1.134 577 N CA 0.217 53.298 53.050 0.052 0.000 0.878 577 N CB 0.006 38.530 38.487 0.061 0.000 0.972 577 N HN 0.222 nan 8.380 nan 0.000 0.456 578 E N 0.820 121.041 120.200 0.036 0.000 2.210 578 E HA -0.205 4.147 4.350 0.003 0.000 0.201 578 E C -0.996 175.626 176.600 0.037 0.000 1.339 578 E CA 0.374 56.787 56.400 0.022 0.000 0.699 578 E CB -1.020 28.689 29.700 0.014 0.000 1.126 578 E HN 0.219 nan 8.360 nan 0.000 0.355 579 D N -0.213 120.223 120.400 0.060 0.000 2.454 579 D HA 0.190 4.832 4.640 0.003 0.000 0.247 579 D C 0.661 177.029 176.300 0.113 0.000 1.129 579 D CA -0.386 53.659 54.000 0.076 0.000 0.877 579 D CB 1.039 41.886 40.800 0.078 0.000 1.082 579 D HN 0.007 nan 8.370 nan 0.000 0.537 580 T N 2.457 117.069 114.554 0.097 0.000 2.857 580 T HA -0.082 4.270 4.350 0.003 0.000 0.266 580 T C 1.533 176.328 174.700 0.160 0.000 1.048 580 T CA 0.840 63.023 62.100 0.138 0.000 1.139 580 T CB 0.274 69.195 68.868 0.089 0.000 0.874 580 T HN 0.453 nan 8.240 nan 0.000 0.455 581 E N 1.049 121.310 120.200 0.103 0.000 2.072 581 E HA -0.013 4.339 4.350 0.003 0.000 0.190 581 E C 2.606 179.251 176.600 0.075 0.000 0.982 581 E CA 0.921 57.366 56.400 0.076 0.000 0.803 581 E CB -0.164 29.567 29.700 0.052 0.000 0.755 581 E HN 0.468 nan 8.360 nan 0.000 0.453 582 A N 0.876 123.751 122.820 0.091 0.000 1.930 582 A HA -0.206 4.116 4.320 0.003 0.000 0.217 582 A C 2.017 179.668 177.584 0.112 0.000 1.175 582 A CA 1.241 53.331 52.037 0.089 0.000 0.627 582 A CB -0.728 18.329 19.000 0.095 0.000 0.815 582 A HN 0.369 nan 8.150 nan 0.000 0.443 583 Y N 0.986 121.314 120.300 0.046 0.000 2.097 583 Y HA -0.219 4.333 4.550 0.003 0.000 0.282 583 Y C 2.326 178.250 175.900 0.040 0.000 1.152 583 Y CA 2.270 60.399 58.100 0.048 0.000 1.136 583 Y CB -0.180 38.309 38.460 0.048 0.000 0.975 583 Y HN 0.333 nan 8.280 nan 0.000 0.498 584 E N -0.429 119.718 120.200 -0.089 0.000 2.110 584 E HA -0.199 4.153 4.350 0.003 0.000 0.193 584 E C 2.482 178.994 176.600 -0.147 0.000 0.988 584 E CA 1.254 57.553 56.400 -0.167 0.000 0.804 584 E CB -0.689 29.010 29.700 -0.003 0.000 0.745 584 E HN 0.461 nan 8.360 nan 0.000 0.458 585 S N 0.572 116.228 115.700 -0.072 0.000 2.356 585 S HA -0.114 4.358 4.470 0.003 0.000 0.223 585 S C 2.097 176.657 174.600 -0.067 0.000 1.032 585 S CA 1.352 59.523 58.200 -0.049 0.000 1.005 585 S CB -0.061 63.134 63.200 -0.009 0.000 0.867 585 S HN 0.285 nan 8.310 nan 0.000 0.449 586 A N 1.308 124.082 122.820 -0.077 0.000 1.930 586 A HA -0.039 4.283 4.320 0.003 0.000 0.217 586 A C 2.136 179.643 177.584 -0.128 0.000 1.175 586 A CA 1.775 53.774 52.037 -0.063 0.000 0.627 586 A CB -0.696 18.298 19.000 -0.010 0.000 0.815 586 A HN 0.655 nan 8.150 nan 0.000 0.443 587 K N 0.211 120.447 120.400 -0.273 0.000 2.032 587 K HA -0.259 4.063 4.320 0.003 0.000 0.209 587 K C 2.026 178.533 176.600 -0.156 0.000 1.048 587 K CA 1.997 58.109 56.287 -0.290 0.000 0.927 587 K CB -0.169 32.011 32.500 -0.533 0.000 0.712 587 K HN 0.562 nan 8.250 nan 0.000 0.441 588 E N 1.006 121.129 120.200 -0.129 0.000 2.110 588 E HA -0.184 4.168 4.350 0.003 0.000 0.193 588 E C 1.784 178.353 176.600 -0.052 0.000 0.988 588 E CA 1.589 57.944 56.400 -0.075 0.000 0.804 588 E CB -0.495 29.172 29.700 -0.056 0.000 0.745 588 E HN 0.480 nan 8.360 nan 0.000 0.458 589 I N 1.148 121.689 120.570 -0.048 0.000 2.142 589 I HA -0.248 3.924 4.170 0.003 0.000 0.240 589 I C 2.607 178.706 176.117 -0.030 0.000 1.078 589 I CA 1.273 62.556 61.300 -0.029 0.000 1.343 589 I CB -0.614 37.376 38.000 -0.015 0.000 1.046 589 I HN 0.307 nan 8.210 nan 0.000 0.405 590 A N 0.194 122.991 122.820 -0.038 0.000 1.892 590 A HA -0.333 3.989 4.320 0.003 0.000 0.218 590 A C 2.248 179.811 177.584 -0.035 0.000 1.188 590 A CA 2.311 54.327 52.037 -0.035 0.000 0.631 590 A CB -0.794 18.180 19.000 -0.042 0.000 0.822 590 A HN 0.447 nan 8.150 nan 0.000 0.447 591 Q N 0.483 120.258 119.800 -0.042 0.000 2.096 591 Q HA -0.193 4.149 4.340 0.003 0.000 0.204 591 Q C 1.964 177.950 176.000 -0.024 0.000 0.982 591 Q CA 2.222 58.005 55.803 -0.034 0.000 0.850 591 Q CB -0.552 28.162 28.738 -0.039 0.000 0.901 591 Q HN 0.794 nan 8.270 nan 0.000 0.422 592 N N -0.836 117.850 118.700 -0.023 0.000 2.104 592 N HA -0.192 4.550 4.740 0.003 0.000 0.190 592 N C 1.316 176.818 175.510 -0.013 0.000 1.024 592 N CA 1.274 54.315 53.050 -0.016 0.000 0.853 592 N CB 0.078 38.556 38.487 -0.015 0.000 1.008 592 N HN 0.129 nan 8.380 nan 0.000 0.424 593 K N 0.982 121.372 120.400 -0.016 0.000 2.057 593 K HA -0.120 4.202 4.320 0.003 0.000 0.206 593 K C 2.100 178.692 176.600 -0.013 0.000 1.050 593 K CA 0.381 56.659 56.287 -0.015 0.000 0.935 593 K CB -0.817 31.671 32.500 -0.020 0.000 0.715 593 K HN 0.210 nan 8.250 nan 0.000 0.439 594 L N 2.481 123.696 121.223 -0.014 0.000 2.012 594 L HA -0.192 4.150 4.340 0.003 0.000 0.210 594 L C 1.585 178.452 176.870 -0.005 0.000 1.073 594 L CA 1.854 56.689 54.840 -0.008 0.000 0.748 594 L CB -0.820 41.234 42.059 -0.010 0.000 0.891 594 L HN 0.122 nan 8.230 nan 0.000 0.431 595 N N -1.059 117.637 118.700 -0.006 0.000 2.188 595 N HA -0.135 4.607 4.740 0.003 0.000 0.184 595 N C 1.744 177.254 175.510 0.001 0.000 1.018 595 N CA 1.695 54.743 53.050 -0.002 0.000 0.858 595 N CB -0.626 37.859 38.487 -0.004 0.000 0.989 595 N HN 0.410 nan 8.380 nan 0.000 0.426 596 T N 0.824 115.378 114.554 -0.001 0.000 2.684 596 T HA -0.103 4.249 4.350 0.003 0.000 0.267 596 T C 1.912 176.614 174.700 0.004 0.000 1.036 596 T CA 1.558 63.659 62.100 0.002 0.000 1.148 596 T CB -0.354 68.514 68.868 0.000 0.000 0.863 596 T HN 0.355 nan 8.240 nan 0.000 0.436 597 A N 0.929 123.749 122.820 -0.000 0.000 1.930 597 A HA 0.071 4.393 4.320 0.003 0.000 0.217 597 A C 2.300 179.883 177.584 -0.002 0.000 1.175 597 A CA 1.040 53.076 52.037 -0.002 0.000 0.627 597 A CB -0.779 18.218 19.000 -0.004 0.000 0.815 597 A HN 0.478 nan 8.150 nan 0.000 0.443 598 L N -0.455 120.770 121.223 0.003 0.000 2.079 598 L HA -0.169 4.173 4.340 0.003 0.000 0.210 598 L C 2.701 179.575 176.870 0.007 0.000 1.081 598 L CA 1.539 56.383 54.840 0.007 0.000 0.752 598 L CB -0.337 41.727 42.059 0.010 0.000 0.896 598 L HN 0.312 nan 8.230 nan 0.000 0.433 599 S N -0.764 114.942 115.700 0.010 0.000 2.436 599 S HA -0.024 4.448 4.470 0.003 0.000 0.228 599 S C 1.037 175.653 174.600 0.027 0.000 1.014 599 S CA 0.444 58.655 58.200 0.018 0.000 0.950 599 S CB -0.053 63.158 63.200 0.017 0.000 0.784 599 S HN 0.533 nan 8.310 nan 0.000 0.504 600 S N 1.042 116.755 115.700 0.022 0.000 2.592 600 S HA 0.328 4.800 4.470 0.003 0.000 0.271 600 S C 0.658 175.287 174.600 0.049 0.000 1.326 600 S CA -0.716 57.513 58.200 0.048 0.000 1.024 600 S CB 0.295 63.517 63.200 0.036 0.000 0.921 600 S HN 0.312 nan 8.310 nan 0.000 0.527 601 F N 2.217 122.140 119.950 -0.044 0.000 2.126 601 F HA 0.035 4.564 4.527 0.003 0.000 0.299 601 F C 1.406 177.144 175.800 -0.104 0.000 1.096 601 F CA 1.183 59.140 58.000 -0.071 0.000 1.255 601 F CB -0.771 38.196 39.000 -0.055 0.000 0.997 601 F HN 0.782 nan 8.300 nan 0.000 0.479 602 A N 1.006 123.732 122.820 -0.156 0.000 2.462 602 A HA 0.459 4.781 4.320 0.003 0.000 0.243 602 A C -0.566 176.864 177.584 -0.257 0.000 1.076 602 A CA -0.134 51.766 52.037 -0.228 0.000 0.773 602 A CB 0.194 19.192 19.000 -0.004 0.000 1.010 602 A HN 0.133 nan 8.150 nan 0.000 0.493 603 V N 3.323 123.067 119.914 -0.283 0.000 2.709 603 V HA 0.685 4.807 4.120 0.003 0.000 0.308 603 V C -0.292 175.754 176.094 -0.079 0.000 1.062 603 V CA -0.340 61.855 62.300 -0.175 0.000 0.901 603 V CB 1.588 33.267 31.823 -0.240 0.000 1.003 603 V HN 0.875 nan 8.190 nan 0.000 0.425 604 I N 2.559 123.115 120.570 -0.024 0.000 2.842 604 I HA 0.433 4.605 4.170 0.003 0.000 0.297 604 I C 0.407 176.539 176.117 0.025 0.000 1.380 604 I CA -0.068 61.225 61.300 -0.012 0.000 1.018 604 I CB 2.282 40.264 38.000 -0.030 0.000 1.311 604 I HN 0.738 nan 8.210 nan 0.000 0.439 605 S N 2.873 118.603 115.700 0.050 0.000 3.581 605 S HA -0.188 4.284 4.470 0.003 0.000 0.354 605 S C 1.031 175.679 174.600 0.080 0.000 1.059 605 S CA 1.525 59.788 58.200 0.106 0.000 1.060 605 S CB -0.832 62.502 63.200 0.224 0.000 0.908 605 S HN 0.839 nan 8.310 nan 0.000 0.475 606 E N 0.923 121.157 120.200 0.057 0.000 2.070 606 E HA -0.139 4.213 4.350 0.003 0.000 0.197 606 E C 1.815 178.449 176.600 0.058 0.000 1.004 606 E CA 1.679 58.112 56.400 0.054 0.000 0.805 606 E CB -0.086 29.643 29.700 0.050 0.000 0.744 606 E HN 0.644 nan 8.360 nan 0.000 0.451 607 K N -0.325 120.104 120.400 0.048 0.000 2.444 607 K HA 0.074 4.396 4.320 0.003 0.000 0.193 607 K C 0.762 177.413 176.600 0.086 0.000 1.024 607 K CA 0.063 56.381 56.287 0.053 0.000 1.077 607 K CB 0.620 33.132 32.500 0.021 0.000 0.833 607 K HN -0.027 nan 8.250 nan 0.000 0.517 608 V N -1.164 118.812 119.914 0.103 0.000 3.938 608 V HA 0.114 4.236 4.120 0.003 0.000 0.193 608 V C 1.651 177.853 176.094 0.180 0.000 1.148 608 V CA 0.731 63.110 62.300 0.132 0.000 1.354 608 V CB -0.289 31.583 31.823 0.083 0.000 1.627 608 V HN 0.103 nan 8.190 nan 0.000 0.512 609 A N -0.632 122.295 122.820 0.178 0.000 1.930 609 A HA -0.216 4.106 4.320 0.003 0.000 0.217 609 A C 2.088 179.727 177.584 0.092 0.000 1.175 609 A CA 2.270 54.371 52.037 0.106 0.000 0.627 609 A CB -0.457 18.554 19.000 0.018 0.000 0.815 609 A HN 0.628 nan 8.150 nan 0.000 0.443 610 Q N -0.793 119.061 119.800 0.091 0.000 2.008 610 Q HA -0.111 4.231 4.340 0.003 0.000 0.196 610 Q C 2.362 178.423 176.000 0.101 0.000 0.973 610 Q CA 1.528 57.374 55.803 0.072 0.000 0.826 610 Q CB -0.254 28.515 28.738 0.053 0.000 0.894 610 Q HN 0.570 nan 8.270 nan 0.000 0.439 611 S N -0.175 115.595 115.700 0.118 0.000 2.392 611 S HA -0.216 4.256 4.470 0.003 0.000 0.232 611 S C 1.649 176.362 174.600 0.188 0.000 1.041 611 S CA 1.415 59.691 58.200 0.125 0.000 1.026 611 S CB -0.552 62.722 63.200 0.124 0.000 0.845 611 S HN 0.531 nan 8.310 nan 0.000 0.465 612 F N 1.902 121.919 119.950 0.110 0.000 2.161 612 F HA -0.058 4.471 4.527 0.003 0.000 0.300 612 F C 1.718 177.612 175.800 0.157 0.000 1.089 612 F CA 1.492 59.608 58.000 0.192 0.000 1.282 612 F CB -0.359 38.721 39.000 0.135 0.000 1.010 612 F HN 0.265 nan 8.300 nan 0.000 0.485 613 I N -0.341 120.283 120.570 0.090 0.000 2.202 613 I HA -0.276 3.896 4.170 0.003 0.000 0.242 613 I C 2.391 178.468 176.117 -0.066 0.000 1.091 613 I CA 1.380 62.661 61.300 -0.031 0.000 1.368 613 I CB -0.701 37.300 38.000 0.002 0.000 1.058 613 I HN 0.139 nan 8.210 nan 0.000 0.410 614 Q N 1.467 121.248 119.800 -0.030 0.000 2.124 614 Q HA -0.229 4.113 4.340 0.003 0.000 0.202 614 Q C 1.920 177.855 176.000 -0.107 0.000 0.977 614 Q CA 1.775 57.548 55.803 -0.049 0.000 0.850 614 Q CB -0.136 28.588 28.738 -0.025 0.000 0.901 614 Q HN 0.493 nan 8.270 nan 0.000 0.429 615 E N -0.659 119.455 120.200 -0.143 0.000 2.110 615 E HA -0.167 4.185 4.350 0.003 0.000 0.193 615 E C 1.808 178.120 176.600 -0.479 0.000 0.988 615 E CA 1.079 57.278 56.400 -0.334 0.000 0.804 615 E CB -0.214 29.302 29.700 -0.308 0.000 0.745 615 E HN 0.481 nan 8.360 nan 0.000 0.458 616 A N 0.812 123.445 122.820 -0.312 0.000 1.929 616 A HA -0.065 4.257 4.320 0.003 0.000 0.216 616 A C 2.138 179.705 177.584 -0.029 0.000 1.176 616 A CA 0.707 52.651 52.037 -0.156 0.000 0.628 616 A CB -0.424 18.495 19.000 -0.136 0.000 0.816 616 A HN 0.118 nan 8.150 nan 0.000 0.444 617 L N -0.042 121.151 121.223 -0.050 0.000 2.141 617 L HA -0.115 4.227 4.340 0.003 0.000 0.209 617 L C 2.120 178.996 176.870 0.009 0.000 1.094 617 L CA 1.409 56.249 54.840 -0.000 0.000 0.763 617 L CB -0.133 41.909 42.059 -0.027 0.000 0.908 617 L HN 0.316 nan 8.230 nan 0.000 0.437 618 S N -1.277 114.393 115.700 -0.051 0.000 2.575 618 S HA 0.089 4.561 4.470 0.003 0.000 0.215 618 S C 0.297 174.849 174.600 -0.080 0.000 0.966 618 S CA -0.336 57.825 58.200 -0.065 0.000 0.911 618 S CB -0.126 63.014 63.200 -0.099 0.000 0.780 618 S HN 0.143 nan 8.310 nan 0.000 0.514 619 F N 3.296 123.114 119.950 -0.221 0.000 2.410 619 F HA 0.389 4.918 4.527 0.003 0.000 0.348 619 F C -0.097 175.647 175.800 -0.092 0.000 1.106 619 F CA -0.689 57.174 58.000 -0.228 0.000 1.163 619 F CB 0.676 39.469 39.000 -0.345 0.000 1.129 619 F HN -0.102 nan 8.300 nan 0.000 0.516 620 D N 6.743 126.886 120.400 -0.428 0.000 2.438 620 D HA 0.126 4.768 4.640 0.003 0.000 0.257 620 D C 0.686 176.804 176.300 -0.303 0.000 1.148 620 D CA -0.139 53.720 54.000 -0.236 0.000 0.902 620 D CB 0.739 41.418 40.800 -0.202 0.000 1.062 620 D HN 0.693 nan 8.370 nan 0.000 0.518 621 L N 2.302 123.525 121.223 0.001 0.000 2.201 621 L HA -0.132 4.210 4.340 0.003 0.000 0.212 621 L C 2.209 179.081 176.870 0.004 0.000 1.105 621 L CA 1.583 56.512 54.840 0.149 0.000 0.775 621 L CB -0.095 42.167 42.059 0.338 0.000 0.913 621 L HN 0.471 nan 8.230 nan 0.000 0.440 622 T N -2.728 111.785 114.554 -0.068 0.000 2.977 622 T HA -0.146 4.206 4.350 0.003 0.000 0.271 622 T C 1.361 176.019 174.700 -0.069 0.000 1.105 622 T CA 0.810 62.866 62.100 -0.075 0.000 1.116 622 T CB -0.263 68.537 68.868 -0.114 0.000 0.878 622 T HN 0.371 nan 8.240 nan 0.000 0.509 623 L N 0.475 121.640 121.223 -0.096 0.000 2.857 623 L HA 0.437 4.779 4.340 0.003 0.000 0.249 623 L C 0.449 177.266 176.870 -0.088 0.000 1.172 623 L CA -0.506 54.278 54.840 -0.092 0.000 0.980 623 L CB -0.032 41.961 42.059 -0.111 0.000 1.299 623 L HN 0.211 nan 8.230 nan 0.000 0.535 624 I N 0.000 120.530 120.570 -0.067 0.000 2.984 624 I HA 0.000 4.172 4.170 0.003 0.000 0.288 624 I CA 0.000 61.281 61.300 -0.031 0.000 1.566 624 I CB 0.000 38.013 38.000 0.021 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494