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_A 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 0.000 176.077 176.094 -0.028 0.000 1.182 41 V CA 0.000 62.285 62.300 -0.024 0.000 1.235 41 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 42 L N 2.424 123.630 121.223 -0.027 0.000 2.436 42 L HA 0.570 4.910 4.340 0.001 0.000 0.265 42 L C -0.037 176.813 176.870 -0.034 0.000 1.168 42 L CA -0.545 54.280 54.840 -0.024 0.000 0.815 42 L CB 1.028 43.075 42.059 -0.020 0.000 1.109 42 L HN 0.280 nan 8.230 nan 0.000 0.462 43 V N 2.212 122.110 119.914 -0.027 0.000 2.488 43 V HA 0.183 4.304 4.120 0.001 0.000 0.277 43 V C -1.664 174.411 176.094 -0.032 0.000 1.046 43 V CA -1.227 61.054 62.300 -0.032 0.000 0.986 43 V CB 0.504 32.315 31.823 -0.020 0.000 0.989 43 V HN 0.680 nan 8.190 nan 0.000 0.475 44 P HA 0.173 nan 4.420 nan 0.000 0.273 44 P C -0.240 177.043 177.300 -0.028 0.000 1.250 44 P CA -0.669 62.407 63.100 -0.040 0.000 0.793 44 P CB 0.319 31.985 31.700 -0.058 0.000 1.011 45 N N 0.445 119.135 118.700 -0.017 0.000 2.412 45 N HA 0.041 4.781 4.740 0.001 0.000 0.258 45 N C -0.465 175.042 175.510 -0.004 0.000 1.236 45 N CA 0.602 53.653 53.050 0.001 0.000 0.882 45 N CB -0.167 38.329 38.487 0.016 0.000 1.066 45 N HN 0.289 nan 8.380 nan 0.000 0.465 46 L N 2.018 123.240 121.223 -0.001 0.000 2.365 46 L HA 0.446 4.787 4.340 0.001 0.000 0.273 46 L C -0.142 176.710 176.870 -0.030 0.000 1.000 46 L CA -0.804 54.017 54.840 -0.032 0.000 0.819 46 L CB 1.863 43.897 42.059 -0.042 0.000 1.284 46 L HN 0.472 nan 8.230 nan 0.000 0.418 47 N N 2.532 121.174 118.700 -0.098 0.000 2.425 47 N HA 0.470 5.210 4.740 0.001 0.000 0.289 47 N C -2.873 172.439 175.510 -0.330 0.000 1.074 47 N CA -1.259 51.677 53.050 -0.191 0.000 0.905 47 N CB 2.889 41.205 38.487 -0.285 0.000 1.586 47 N HN 0.111 nan 8.380 nan 0.000 0.490 48 P HA 0.121 nan 4.420 nan 0.000 0.272 48 P C -0.639 176.555 177.300 -0.177 0.000 1.230 48 P CA -0.137 62.795 63.100 -0.280 0.000 0.788 48 P CB 0.362 31.817 31.700 -0.408 0.000 0.949 49 T N 4.675 119.215 114.554 -0.025 0.000 2.778 49 T HA 0.082 4.432 4.350 0.001 0.000 0.282 49 T C -1.946 172.784 174.700 0.051 0.000 0.983 49 T CA -0.456 61.656 62.100 0.020 0.000 1.193 49 T CB -0.884 68.020 68.868 0.059 0.000 0.938 49 T HN 0.360 nan 8.240 nan 0.000 0.523 50 P HA 0.137 nan 4.420 nan 0.000 0.269 50 P C 0.811 178.139 177.300 0.046 0.000 1.215 50 P CA -0.222 62.926 63.100 0.080 0.000 0.780 50 P CB 0.940 32.673 31.700 0.055 0.000 0.898 51 E N 2.356 122.553 120.200 -0.005 0.000 2.031 51 E HA -0.123 4.227 4.350 0.001 0.000 0.193 51 E C 0.055 176.613 176.600 -0.071 0.000 0.994 51 E CA 1.575 57.885 56.400 -0.150 0.000 0.800 51 E CB -0.082 29.313 29.700 -0.509 0.000 0.752 51 E HN 0.414 nan 8.360 nan 0.000 0.447 52 N N 0.088 118.765 118.700 -0.038 0.000 2.346 52 N HA 0.337 5.077 4.740 0.001 0.000 0.289 52 N C -1.311 174.203 175.510 0.007 0.000 1.027 52 N CA -0.422 52.626 53.050 -0.003 0.000 0.864 52 N CB 2.052 40.551 38.487 0.019 0.000 1.370 52 N HN 0.101 nan 8.380 nan 0.000 0.481 53 L N 0.696 121.927 121.223 0.013 0.000 2.470 53 L HA 0.433 4.773 4.340 0.001 0.000 0.268 53 L C -0.990 175.893 176.870 0.021 0.000 0.964 53 L CA -0.413 54.440 54.840 0.022 0.000 0.839 53 L CB 2.165 44.237 42.059 0.021 0.000 1.276 53 L HN 0.463 nan 8.230 nan 0.000 0.403 54 E N 3.689 123.906 120.200 0.027 0.000 2.191 54 E HA 0.388 4.738 4.350 0.001 0.000 0.263 54 E C -1.436 175.182 176.600 0.031 0.000 0.881 54 E CA -0.758 55.658 56.400 0.026 0.000 0.757 54 E CB 2.305 32.021 29.700 0.027 0.000 1.147 54 E HN 0.437 nan 8.360 nan 0.000 0.414 55 V N 5.440 125.369 119.914 0.026 0.000 2.405 55 V HA 0.042 4.163 4.120 0.001 0.000 0.264 55 V C 0.915 177.028 176.094 0.033 0.000 1.048 55 V CA -0.033 62.284 62.300 0.028 0.000 0.966 55 V CB 0.877 32.712 31.823 0.020 0.000 1.015 55 V HN 0.635 nan 8.190 nan 0.000 0.477 56 V N 2.164 122.105 119.914 0.044 0.000 3.176 56 V HA 0.842 4.962 4.120 0.001 0.000 0.332 56 V C 0.551 176.676 176.094 0.051 0.000 1.414 56 V CA 0.552 62.878 62.300 0.044 0.000 1.133 56 V CB -0.056 31.795 31.823 0.047 0.000 1.088 56 V HN 0.897 nan 8.190 nan 0.000 0.473 57 G N -0.568 108.266 108.800 0.056 0.000 2.428 57 G HA2 0.367 4.327 3.960 0.001 0.000 0.304 57 G HA3 0.367 4.327 3.960 0.001 0.000 0.304 57 G C -1.040 173.897 174.900 0.063 0.000 1.303 57 G CA 0.159 45.298 45.100 0.065 0.000 0.825 57 G HN -0.075 nan 8.290 nan 0.000 0.484 58 D N -0.185 120.258 120.400 0.072 0.000 2.350 58 D HA 0.396 5.037 4.640 0.001 0.000 0.213 58 D C 1.401 177.738 176.300 0.062 0.000 1.031 58 D CA 1.609 55.643 54.000 0.057 0.000 0.861 58 D CB 0.526 41.357 40.800 0.052 0.000 0.926 58 D HN 1.348 nan 8.370 nan 0.000 0.520 59 G N 0.671 109.533 108.800 0.104 0.000 2.712 59 G HA2 0.029 3.990 3.960 0.001 0.000 0.683 59 G HA3 0.029 3.990 3.960 0.001 0.000 0.683 59 G C -0.550 174.456 174.900 0.177 0.000 1.320 59 G CA -0.460 44.677 45.100 0.061 0.000 0.847 59 G HN 0.239 nan 8.290 nan 0.000 0.553 60 F N -2.423 117.541 119.950 0.023 0.000 2.741 60 F HA 0.879 5.407 4.527 0.001 0.000 0.313 60 F C -0.571 175.246 175.800 0.027 0.000 1.153 60 F CA -1.529 56.486 58.000 0.024 0.000 0.931 60 F CB 1.385 40.402 39.000 0.028 0.000 1.335 60 F HN 0.596 nan 8.300 nan 0.000 0.460 61 K N 1.588 122.136 120.400 0.247 0.000 2.201 61 K HA 0.601 4.922 4.320 0.001 0.000 0.278 61 K C -0.901 175.851 176.600 0.253 0.000 1.027 61 K CA -0.495 55.872 56.287 0.133 0.000 0.909 61 K CB 1.080 33.640 32.500 0.100 0.000 1.062 61 K HN 0.637 nan 8.250 nan 0.000 0.465 62 I N 3.808 124.463 120.570 0.142 0.000 2.471 62 I HA 0.004 4.175 4.170 0.001 0.000 0.286 62 I C 0.767 176.967 176.117 0.140 0.000 1.079 62 I CA -0.235 61.186 61.300 0.201 0.000 1.398 62 I CB 1.057 39.160 38.000 0.173 0.000 1.403 62 I HN 0.702 nan 8.210 nan 0.000 0.530 63 T N 1.501 116.139 114.554 0.139 0.000 2.900 63 T HA 0.032 4.382 4.350 0.001 0.000 0.307 63 T C 1.249 175.989 174.700 0.067 0.000 1.065 63 T CA -0.338 61.815 62.100 0.087 0.000 1.105 63 T CB 1.099 70.010 68.868 0.071 0.000 0.979 63 T HN 0.733 nan 8.240 nan 0.000 0.544 64 S N 0.618 116.343 115.700 0.041 0.000 2.515 64 S HA 0.072 4.543 4.470 0.001 0.000 0.231 64 S C 0.849 175.463 174.600 0.023 0.000 0.987 64 S CA -0.018 58.196 58.200 0.024 0.000 0.936 64 S CB -0.118 63.087 63.200 0.009 0.000 0.766 64 S HN 0.707 nan 8.310 nan 0.000 0.528 65 S N 1.699 117.417 115.700 0.030 0.000 2.561 65 S HA 0.702 5.173 4.470 0.001 0.000 0.303 65 S C -0.526 174.097 174.600 0.039 0.000 1.110 65 S CA -0.969 57.247 58.200 0.028 0.000 1.034 65 S CB 0.814 64.025 63.200 0.018 0.000 1.010 65 S HN 0.463 nan 8.310 nan 0.000 0.482 66 I N 1.928 122.524 120.570 0.042 0.000 3.067 66 I HA 0.659 4.829 4.170 0.001 0.000 0.312 66 I C -0.951 175.183 176.117 0.028 0.000 1.073 66 I CA -0.984 60.344 61.300 0.047 0.000 1.016 66 I CB 1.650 39.694 38.000 0.073 0.000 1.227 66 I HN 0.440 nan 8.210 nan 0.000 0.456 67 N N 3.214 121.927 118.700 0.022 0.000 2.422 67 N HA 0.339 5.080 4.740 0.001 0.000 0.264 67 N C -0.780 174.731 175.510 0.002 0.000 1.063 67 N CA -0.303 52.752 53.050 0.009 0.000 0.959 67 N CB 1.799 40.288 38.487 0.004 0.000 1.087 67 N HN 0.480 nan 8.380 nan 0.000 0.483 68 L N 3.860 125.081 121.223 -0.003 0.000 2.265 68 L HA 0.430 4.771 4.340 0.001 0.000 0.289 68 L C -0.961 175.899 176.870 -0.016 0.000 1.033 68 L CA -0.628 54.203 54.840 -0.015 0.000 0.814 68 L CB 1.178 43.230 42.059 -0.013 0.000 1.203 68 L HN 0.191 nan 8.230 nan 0.000 0.423 69 V N 4.596 124.496 119.914 -0.023 0.000 2.531 69 V HA 0.776 4.896 4.120 0.001 0.000 0.301 69 V C 0.712 176.793 176.094 -0.022 0.000 1.034 69 V CA 0.116 62.406 62.300 -0.018 0.000 0.865 69 V CB 1.007 32.822 31.823 -0.014 0.000 0.995 69 V HN 0.902 nan 8.190 nan 0.000 0.424 70 G N 3.619 112.410 108.800 -0.016 0.000 2.201 70 G HA2 -0.207 3.754 3.960 0.001 0.000 0.212 70 G HA3 -0.207 3.754 3.960 0.001 0.000 0.212 70 G C 0.639 175.530 174.900 -0.015 0.000 0.994 70 G CA 0.359 45.450 45.100 -0.015 0.000 0.644 70 G HN 0.896 nan 8.290 nan 0.000 0.508 71 E N 0.599 120.789 120.200 -0.017 0.000 2.339 71 E HA -0.120 4.231 4.350 0.001 0.000 0.201 71 E C 1.680 178.275 176.600 -0.008 0.000 1.015 71 E CA 1.609 58.000 56.400 -0.015 0.000 0.841 71 E CB -0.239 29.453 29.700 -0.013 0.000 0.754 71 E HN 0.665 nan 8.360 nan 0.000 0.508 72 E N -0.087 120.109 120.200 -0.006 0.000 2.389 72 E HA 0.023 4.373 4.350 0.001 0.000 0.199 72 E C 1.669 178.268 176.600 -0.002 0.000 0.978 72 E CA 0.104 56.502 56.400 -0.003 0.000 0.912 72 E CB 0.339 30.038 29.700 -0.002 0.000 0.907 72 E HN 0.242 nan 8.360 nan 0.000 0.494 73 E N 0.681 120.880 120.200 -0.002 0.000 2.276 73 E HA 0.113 4.463 4.350 0.001 0.000 0.193 73 E C 0.606 177.207 176.600 0.002 0.000 0.983 73 E CA 0.042 56.443 56.400 0.001 0.000 0.861 73 E CB 0.507 30.208 29.700 0.001 0.000 0.817 73 E HN 0.050 nan 8.360 nan 0.000 0.485 74 A N 1.818 124.637 122.820 -0.001 0.000 2.332 74 A HA 0.059 4.379 4.320 0.001 0.000 0.258 74 A C -0.167 177.419 177.584 0.003 0.000 1.087 74 A CA -0.361 51.676 52.037 -0.000 0.000 0.802 74 A CB 0.159 19.152 19.000 -0.010 0.000 1.042 74 A HN 0.028 nan 8.150 nan 0.000 0.489 75 D N 0.346 120.751 120.400 0.007 0.000 2.586 75 D HA -0.070 4.570 4.640 0.001 0.000 0.234 75 D C 1.144 177.454 176.300 0.017 0.000 1.132 75 D CA 0.930 54.937 54.000 0.011 0.000 0.860 75 D CB 0.463 41.274 40.800 0.018 0.000 1.159 75 D HN 0.627 nan 8.370 nan 0.000 0.490 76 E N 2.910 123.117 120.200 0.012 0.000 2.085 76 E HA -0.270 4.080 4.350 0.001 0.000 0.194 76 E C 1.101 177.723 176.600 0.037 0.000 0.994 76 E CA 1.315 57.725 56.400 0.016 0.000 0.801 76 E CB 0.061 29.765 29.700 0.006 0.000 0.743 76 E HN 0.661 nan 8.360 nan 0.000 0.453 77 N N 0.018 118.747 118.700 0.048 0.000 2.244 77 N HA -0.121 4.619 4.740 0.001 0.000 0.183 77 N C 1.821 177.475 175.510 0.240 0.000 1.016 77 N CA 0.816 53.930 53.050 0.108 0.000 0.866 77 N CB -0.099 38.402 38.487 0.023 0.000 0.980 77 N HN 0.125 nan 8.380 nan 0.000 0.430 78 A N 0.857 123.797 122.820 0.201 0.000 1.873 78 A HA -0.072 4.249 4.320 0.001 0.000 0.215 78 A C 2.391 179.981 177.584 0.011 0.000 1.186 78 A CA 1.071 53.175 52.037 0.111 0.000 0.616 78 A CB -0.773 18.256 19.000 0.048 0.000 0.823 78 A HN 0.089 nan 8.150 nan 0.000 0.442 79 V N 1.098 121.022 119.914 0.016 0.000 2.343 79 V HA -0.263 3.857 4.120 0.001 0.000 0.247 79 V C 2.311 178.416 176.094 0.017 0.000 1.051 79 V CA 2.133 64.433 62.300 -0.001 0.000 1.036 79 V CB -0.966 30.857 31.823 0.000 0.000 0.654 79 V HN 0.546 nan 8.190 nan 0.000 0.451 80 N N 0.490 119.214 118.700 0.039 0.000 2.120 80 N HA -0.108 4.633 4.740 0.001 0.000 0.188 80 N C 1.887 177.429 175.510 0.054 0.000 1.024 80 N CA 1.656 54.733 53.050 0.046 0.000 0.852 80 N CB -0.426 38.092 38.487 0.052 0.000 1.003 80 N HN 0.498 nan 8.380 nan 0.000 0.424 81 A N 0.847 123.700 122.820 0.055 0.000 1.930 81 A HA -0.071 4.249 4.320 0.001 0.000 0.217 81 A C 2.238 179.841 177.584 0.031 0.000 1.175 81 A CA 0.814 52.863 52.037 0.019 0.000 0.627 81 A CB -0.573 18.364 19.000 -0.104 0.000 0.815 81 A HN 0.222 nan 8.150 nan 0.000 0.443 82 L N -0.053 121.178 121.223 0.014 0.000 2.005 82 L HA -0.108 4.233 4.340 0.001 0.000 0.207 82 L C 2.459 179.407 176.870 0.130 0.000 1.072 82 L CA 1.911 56.788 54.840 0.062 0.000 0.744 82 L CB -0.595 41.444 42.059 -0.034 0.000 0.895 82 L HN 0.327 nan 8.230 nan 0.000 0.433 83 R N -0.524 120.019 120.500 0.072 0.000 2.139 83 R HA -0.230 4.110 4.340 0.001 0.000 0.243 83 R C 2.240 178.584 176.300 0.073 0.000 1.145 83 R CA 1.771 57.909 56.100 0.064 0.000 0.976 83 R CB -0.390 29.931 30.300 0.036 0.000 0.866 83 R HN 0.574 nan 8.270 nan 0.000 0.449 84 E N -0.212 120.041 120.200 0.088 0.000 2.072 84 E HA -0.158 4.193 4.350 0.001 0.000 0.190 84 E C 1.613 178.275 176.600 0.103 0.000 0.982 84 E CA 0.715 57.161 56.400 0.077 0.000 0.803 84 E CB -0.017 29.728 29.700 0.076 0.000 0.755 84 E HN 0.231 nan 8.360 nan 0.000 0.453 85 F N 0.593 120.551 119.950 0.013 0.000 2.163 85 F HA -0.139 4.388 4.527 0.001 0.000 0.297 85 F C 1.737 177.555 175.800 0.031 0.000 1.094 85 F CA 0.661 58.671 58.000 0.017 0.000 1.290 85 F CB -0.097 38.928 39.000 0.042 0.000 1.017 85 F HN 0.022 nan 8.300 nan 0.000 0.483 86 L N 0.668 121.950 121.223 0.099 0.000 1.989 86 L HA -0.220 4.121 4.340 0.001 0.000 0.211 86 L C 2.565 179.373 176.870 -0.103 0.000 1.071 86 L CA 2.386 57.225 54.840 -0.002 0.000 0.749 86 L CB -1.709 40.417 42.059 0.111 0.000 0.890 86 L HN 0.173 nan 8.230 nan 0.000 0.431 87 T N -0.251 114.273 114.554 -0.050 0.000 2.624 87 T HA -0.294 4.057 4.350 0.001 0.000 0.268 87 T C 1.851 176.485 174.700 -0.110 0.000 1.041 87 T CA 1.789 63.853 62.100 -0.060 0.000 1.159 87 T CB -0.512 68.339 68.868 -0.028 0.000 0.863 87 T HN 0.457 nan 8.240 nan 0.000 0.434 88 A N 1.618 124.350 122.820 -0.146 0.000 2.019 88 A HA -0.048 4.273 4.320 0.001 0.000 0.219 88 A C 1.925 179.361 177.584 -0.246 0.000 1.164 88 A CA 1.117 53.052 52.037 -0.170 0.000 0.644 88 A CB -0.329 18.584 19.000 -0.145 0.000 0.805 88 A HN 0.518 nan 8.150 nan 0.000 0.449 89 N N 0.379 118.849 118.700 -0.383 0.000 2.251 89 N HA 0.017 4.757 4.740 0.001 0.000 0.217 89 N C -0.692 174.683 175.510 -0.226 0.000 1.124 89 N CA 0.000 52.816 53.050 -0.391 0.000 0.843 89 N CB 0.112 38.165 38.487 -0.723 0.000 1.024 89 N HN 0.371 nan 8.380 nan 0.000 0.501 90 N N 0.765 119.370 118.700 -0.159 0.000 2.754 90 N HA -0.170 4.570 4.740 0.001 0.000 0.248 90 N C -0.749 174.720 175.510 -0.068 0.000 1.093 90 N CA 0.766 53.759 53.050 -0.094 0.000 0.699 90 N CB -1.407 37.033 38.487 -0.078 0.000 1.016 90 N HN 0.415 nan 8.380 nan 0.000 0.552 91 I N 0.463 120.991 120.570 -0.069 0.000 2.362 91 I HA 0.219 4.390 4.170 0.001 0.000 0.289 91 I C 0.595 176.709 176.117 -0.004 0.000 0.994 91 I CA -0.627 60.660 61.300 -0.021 0.000 1.158 91 I CB 1.866 39.871 38.000 0.009 0.000 1.315 91 I HN -0.096 nan 8.210 nan 0.000 0.451 92 E N 5.671 125.874 120.200 0.005 0.000 2.250 92 E HA 0.548 4.899 4.350 0.001 0.000 0.269 92 E C -0.968 175.642 176.600 0.017 0.000 1.018 92 E CA -0.469 55.935 56.400 0.006 0.000 0.873 92 E CB 1.396 31.097 29.700 0.002 0.000 1.134 92 E HN 0.376 nan 8.360 nan 0.000 0.403 93 I N 3.385 123.963 120.570 0.013 0.000 2.321 93 I HA 0.219 4.389 4.170 0.001 0.000 0.291 93 I C -0.168 175.955 176.117 0.010 0.000 0.998 93 I CA -0.759 60.549 61.300 0.014 0.000 1.227 93 I CB 0.986 38.993 38.000 0.012 0.000 1.368 93 I HN 0.305 nan 8.210 nan 0.000 0.466 94 N N 4.294 123.001 118.700 0.011 0.000 2.411 94 N HA -0.032 4.709 4.740 0.001 0.000 0.265 94 N C 1.092 176.605 175.510 0.004 0.000 1.266 94 N CA 0.154 53.209 53.050 0.007 0.000 0.889 94 N CB 0.960 39.452 38.487 0.008 0.000 1.069 94 N HN 0.617 nan 8.380 nan 0.000 0.476 95 S N 1.074 116.776 115.700 0.003 0.000 2.481 95 S HA -0.087 4.384 4.470 0.001 0.000 0.231 95 S C 0.437 175.037 174.600 0.001 0.000 0.996 95 S CA 0.476 58.676 58.200 0.001 0.000 0.942 95 S CB -0.190 63.010 63.200 0.001 0.000 0.768 95 S HN 0.783 nan 8.310 nan 0.000 0.520 96 E N 0.822 121.023 120.200 0.001 0.000 2.356 96 E HA 0.321 4.672 4.350 0.001 0.000 0.275 96 E C -1.233 175.367 176.600 0.000 0.000 0.904 96 E CA -1.044 55.356 56.400 0.000 0.000 0.757 96 E CB 0.707 30.406 29.700 -0.000 0.000 1.232 96 E HN 0.033 nan 8.360 nan 0.000 0.442 97 N N 2.383 121.083 118.700 -0.001 0.000 2.411 97 N HA -0.071 4.670 4.740 0.001 0.000 0.261 97 N C -0.745 174.764 175.510 -0.001 0.000 1.248 97 N CA 0.909 53.959 53.050 -0.001 0.000 0.885 97 N CB 0.259 38.744 38.487 -0.003 0.000 1.062 97 N HN 0.808 nan 8.380 nan 0.000 0.471 98 D N 2.510 122.910 120.400 0.000 0.000 3.908 98 D HA -0.094 4.547 4.640 0.001 0.000 0.237 98 D C -2.260 174.039 176.300 -0.001 0.000 1.091 98 D CA -0.251 53.748 54.000 -0.001 0.000 1.147 98 D CB 0.153 40.949 40.800 -0.006 0.000 0.857 98 D HN 0.462 nan 8.370 nan 0.000 0.410 99 P HA 0.212 nan 4.420 nan 0.000 0.220 99 P C -0.589 176.711 177.300 0.001 0.000 1.778 99 P CA -0.269 62.831 63.100 0.001 0.000 0.912 99 P CB -0.274 31.428 31.700 0.003 0.000 1.861 100 N N -0.802 117.896 118.700 -0.003 0.000 2.698 100 N HA -0.157 4.583 4.740 0.001 0.000 0.258 100 N C -0.312 175.198 175.510 -0.000 0.000 0.978 100 N CA 0.309 53.355 53.050 -0.007 0.000 0.777 100 N CB -0.849 37.631 38.487 -0.013 0.000 0.907 100 N HN 0.240 nan 8.380 nan 0.000 0.543 101 S N -0.371 115.332 115.700 0.007 0.000 2.608 101 S HA 0.175 4.645 4.470 0.001 0.000 0.261 101 S C 0.854 175.466 174.600 0.019 0.000 1.314 101 S CA -0.554 57.658 58.200 0.020 0.000 0.992 101 S CB 0.772 63.986 63.200 0.023 0.000 0.935 101 S HN 0.236 nan 8.310 nan 0.000 0.564 102 T N 2.764 117.348 114.554 0.050 0.000 2.932 102 T HA 0.204 4.554 4.350 0.001 0.000 0.312 102 T C 0.106 174.835 174.700 0.047 0.000 1.071 102 T CA 0.062 62.202 62.100 0.067 0.000 1.128 102 T CB 0.170 69.144 68.868 0.178 0.000 0.984 102 T HN 0.526 nan 8.240 nan 0.000 0.549 103 T N 3.856 118.426 114.554 0.027 0.000 2.779 103 T HA 0.472 4.822 4.350 0.001 0.000 0.280 103 T C -0.747 173.965 174.700 0.020 0.000 0.987 103 T CA -0.693 61.416 62.100 0.014 0.000 0.966 103 T CB 0.989 69.853 68.868 -0.007 0.000 0.933 103 T HN 0.287 nan 8.240 nan 0.000 0.442 104 L N 5.432 126.653 121.223 -0.003 0.000 2.298 104 L HA 0.642 4.982 4.340 0.001 0.000 0.284 104 L C -1.110 175.722 176.870 -0.063 0.000 1.013 104 L CA -0.966 53.841 54.840 -0.054 0.000 0.824 104 L CB 0.360 42.349 42.059 -0.118 0.000 1.221 104 L HN 0.599 nan 8.230 nan 0.000 0.418 105 I N 6.094 126.628 120.570 -0.060 0.000 2.404 105 I HA 0.533 4.704 4.170 0.001 0.000 0.293 105 I C -0.436 175.643 176.117 -0.063 0.000 0.992 105 I CA -0.528 60.744 61.300 -0.046 0.000 1.149 105 I CB 1.891 39.879 38.000 -0.021 0.000 1.315 105 I HN 0.569 nan 8.210 nan 0.000 0.446 106 I N 4.283 124.819 120.570 -0.056 0.000 2.686 106 I HA 0.906 5.076 4.170 0.001 0.000 0.295 106 I C -0.250 175.851 176.117 -0.026 0.000 1.114 106 I CA 0.100 61.366 61.300 -0.057 0.000 1.038 106 I CB 2.030 39.976 38.000 -0.089 0.000 1.238 106 I HN 0.794 nan 8.210 nan 0.000 0.420 107 G N 4.923 113.716 108.800 -0.010 0.000 2.317 107 G HA2 0.335 4.295 3.960 0.001 0.000 0.293 107 G HA3 0.335 4.295 3.960 0.001 0.000 0.293 107 G C -1.992 172.922 174.900 0.024 0.000 1.287 107 G CA -0.683 44.419 45.100 0.005 0.000 0.850 107 G HN 0.541 nan 8.290 nan 0.000 0.515 108 E N -1.015 119.201 120.200 0.027 0.000 2.264 108 E HA 0.608 4.958 4.350 0.001 0.000 0.260 108 E C 0.585 177.207 176.600 0.037 0.000 0.961 108 E CA -0.517 55.907 56.400 0.040 0.000 0.834 108 E CB 2.047 31.769 29.700 0.036 0.000 1.230 108 E HN 1.041 nan 8.360 nan 0.000 0.412 109 V N -0.230 119.710 119.914 0.042 0.000 2.872 109 V HA 0.149 4.270 4.120 0.001 0.000 0.307 109 V C 0.626 176.734 176.094 0.024 0.000 1.072 109 V CA -0.018 62.302 62.300 0.033 0.000 1.148 109 V CB 0.696 32.539 31.823 0.033 0.000 0.954 109 V HN 0.775 nan 8.190 nan 0.000 0.490 110 D N -0.062 120.349 120.400 0.019 0.000 2.921 110 D HA -0.205 4.436 4.640 0.001 0.000 0.202 110 D C 0.258 176.566 176.300 0.013 0.000 1.082 110 D CA 1.805 55.814 54.000 0.014 0.000 1.014 110 D CB -1.038 39.770 40.800 0.013 0.000 1.120 110 D HN 1.002 nan 8.370 nan 0.000 0.416 111 D N 0.767 121.176 120.400 0.015 0.000 2.488 111 D HA 0.035 4.676 4.640 0.001 0.000 0.238 111 D C 0.005 176.311 176.300 0.010 0.000 1.138 111 D CA 0.209 54.217 54.000 0.012 0.000 0.873 111 D CB 0.421 41.229 40.800 0.013 0.000 1.183 111 D HN 0.088 nan 8.370 nan 0.000 0.458 112 D N 2.777 123.182 120.400 0.007 0.000 2.545 112 D HA 0.184 4.824 4.640 0.001 0.000 0.227 112 D C -0.509 175.793 176.300 0.004 0.000 1.150 112 D CA -0.101 53.903 54.000 0.006 0.000 1.046 112 D CB -0.589 40.214 40.800 0.005 0.000 1.098 112 D HN 0.258 nan 8.370 nan 0.000 0.502 113 I N 3.270 123.843 120.570 0.005 0.000 2.517 113 I HA 0.205 4.375 4.170 0.001 0.000 0.280 113 I C -1.783 174.337 176.117 0.004 0.000 1.061 113 I CA -1.788 59.514 61.300 0.003 0.000 1.091 113 I CB 2.421 40.422 38.000 0.003 0.000 1.205 113 I HN -0.040 nan 8.210 nan 0.000 0.459 114 P HA -0.035 nan 4.420 nan 0.000 0.220 114 P C 1.042 178.344 177.300 0.002 0.000 1.152 114 P CA 1.028 64.130 63.100 0.003 0.000 0.812 114 P CB 0.402 32.103 31.700 0.002 0.000 0.792 115 E N -0.445 119.755 120.200 0.000 0.000 2.085 115 E HA -0.168 4.183 4.350 0.001 0.000 0.194 115 E C 1.829 178.430 176.600 0.001 0.000 0.994 115 E CA 0.804 57.203 56.400 -0.001 0.000 0.801 115 E CB -1.045 28.653 29.700 -0.004 0.000 0.743 115 E HN 0.100 nan 8.360 nan 0.000 0.453 116 L N 1.214 122.439 121.223 0.003 0.000 2.017 116 L HA -0.181 4.160 4.340 0.001 0.000 0.208 116 L C 1.245 178.123 176.870 0.014 0.000 1.073 116 L CA 1.926 56.771 54.840 0.009 0.000 0.745 116 L CB -0.534 41.531 42.059 0.010 0.000 0.894 116 L HN 0.014 nan 8.230 nan 0.000 0.432 117 D N -0.354 120.053 120.400 0.012 0.000 2.116 117 D HA -0.208 4.433 4.640 0.001 0.000 0.193 117 D C 2.119 178.427 176.300 0.012 0.000 0.998 117 D CA 1.460 55.467 54.000 0.013 0.000 0.836 117 D CB -0.121 40.685 40.800 0.010 0.000 0.951 117 D HN 0.445 nan 8.370 nan 0.000 0.449 118 E N 0.267 120.472 120.200 0.008 0.000 2.072 118 E HA -0.078 4.273 4.350 0.001 0.000 0.191 118 E C 2.108 178.713 176.600 0.008 0.000 0.985 118 E CA 0.902 57.306 56.400 0.006 0.000 0.801 118 E CB -0.146 29.555 29.700 0.001 0.000 0.750 118 E HN 0.228 nan 8.360 nan 0.000 0.452 119 A N 1.021 123.847 122.820 0.009 0.000 1.969 119 A HA -0.091 4.229 4.320 0.001 0.000 0.218 119 A C 2.285 179.885 177.584 0.025 0.000 1.169 119 A CA 0.789 52.834 52.037 0.013 0.000 0.635 119 A CB -0.526 18.482 19.000 0.013 0.000 0.810 119 A HN 0.136 nan 8.150 nan 0.000 0.445 120 L N -0.723 120.516 121.223 0.028 0.000 2.217 120 L HA -0.083 4.258 4.340 0.001 0.000 0.211 120 L C 0.495 177.383 176.870 0.030 0.000 1.107 120 L CA 0.123 54.984 54.840 0.036 0.000 0.783 120 L CB -0.877 41.204 42.059 0.037 0.000 0.919 120 L HN 0.412 nan 8.230 nan 0.000 0.442 121 N N 0.633 119.346 118.700 0.022 0.000 2.524 121 N HA -0.218 4.522 4.740 0.001 0.000 0.329 121 N C 0.933 176.455 175.510 0.020 0.000 1.153 121 N CA 0.523 53.584 53.050 0.018 0.000 0.804 121 N CB -0.196 38.299 38.487 0.013 0.000 1.031 121 N HN 0.555 nan 8.380 nan 0.000 0.574 122 G N 0.629 109.440 108.800 0.018 0.000 2.284 122 G HA2 -0.274 3.686 3.960 0.001 0.000 0.216 122 G HA3 -0.274 3.686 3.960 0.001 0.000 0.216 122 G C 0.145 175.057 174.900 0.019 0.000 1.009 122 G CA 0.170 45.280 45.100 0.017 0.000 0.625 122 G HN 0.871 nan 8.290 nan 0.000 0.501 123 T N -1.494 113.075 114.554 0.025 0.000 2.888 123 T HA 0.737 5.088 4.350 0.001 0.000 0.284 123 T C -0.501 174.218 174.700 0.031 0.000 1.017 123 T CA 0.438 62.555 62.100 0.028 0.000 1.022 123 T CB 2.906 71.796 68.868 0.035 0.000 1.013 123 T HN 1.125 nan 8.240 nan 0.000 0.465 124 T N -0.183 114.387 114.554 0.028 0.000 2.885 124 T HA 0.608 4.958 4.350 0.001 0.000 0.322 124 T C 0.172 174.887 174.700 0.025 0.000 1.387 124 T CA -0.005 62.112 62.100 0.028 0.000 1.041 124 T CB 1.179 70.059 68.868 0.019 0.000 1.287 124 T HN 0.998 nan 8.240 nan 0.000 0.491 125 A N 1.778 124.620 122.820 0.036 0.000 2.348 125 A HA 0.255 4.575 4.320 0.001 0.000 0.224 125 A C 1.628 179.221 177.584 0.016 0.000 1.227 125 A CA 0.822 52.881 52.037 0.037 0.000 0.885 125 A CB -0.420 18.631 19.000 0.085 0.000 0.933 125 A HN 0.913 nan 8.150 nan 0.000 0.506 126 E N 1.665 121.870 120.200 0.009 0.000 2.085 126 E HA -0.241 4.109 4.350 0.001 0.000 0.194 126 E C 0.947 177.533 176.600 -0.023 0.000 0.994 126 E CA 1.422 57.821 56.400 -0.001 0.000 0.801 126 E CB -0.641 29.059 29.700 0.001 0.000 0.743 126 E HN 0.718 nan 8.360 nan 0.000 0.453 127 N N 1.352 120.028 118.700 -0.040 0.000 2.313 127 N HA 0.071 4.812 4.740 0.001 0.000 0.207 127 N C 0.024 175.454 175.510 -0.133 0.000 1.141 127 N CA 0.015 53.022 53.050 -0.072 0.000 0.830 127 N CB 0.228 38.676 38.487 -0.065 0.000 1.008 127 N HN 0.183 nan 8.380 nan 0.000 0.481 128 L N 0.981 122.128 121.223 -0.127 0.000 2.344 128 L HA 0.344 4.684 4.340 0.001 0.000 0.272 128 L C 0.679 177.439 176.870 -0.184 0.000 1.035 128 L CA -1.202 53.502 54.840 -0.226 0.000 0.807 128 L CB 1.313 43.290 42.059 -0.137 0.000 1.237 128 L HN 0.098 nan 8.230 nan 0.000 0.442 129 K N 0.642 120.875 120.400 -0.278 0.000 2.187 129 K HA 0.173 4.494 4.320 0.001 0.000 0.247 129 K C -0.361 176.222 176.600 -0.029 0.000 1.019 129 K CA -0.720 55.479 56.287 -0.147 0.000 0.893 129 K CB 0.400 32.799 32.500 -0.168 0.000 1.025 129 K HN 0.339 nan 8.250 nan 0.000 0.500 130 E N 1.437 121.640 120.200 0.005 0.000 2.641 130 E HA -0.225 4.125 4.350 0.001 0.000 0.272 130 E C -0.199 176.474 176.600 0.122 0.000 0.990 130 E CA 0.906 57.343 56.400 0.062 0.000 0.971 130 E CB -0.024 29.711 29.700 0.058 0.000 0.967 130 E HN 0.835 nan 8.360 nan 0.000 0.464 131 E N -1.350 118.973 120.200 0.206 0.000 3.799 131 E HA -0.204 4.147 4.350 0.001 0.000 0.320 131 E C 0.649 177.562 176.600 0.522 0.000 0.760 131 E CA 0.938 57.575 56.400 0.395 0.000 1.153 131 E CB -1.387 28.582 29.700 0.448 0.000 1.589 131 E HN 0.698 nan 8.360 nan 0.000 0.448 132 G N 0.077 109.082 108.800 0.342 0.000 2.537 132 G HA2 0.469 4.429 3.960 0.001 0.000 0.273 132 G HA3 0.469 4.429 3.960 0.001 0.000 0.273 132 G C -0.391 174.759 174.900 0.418 0.000 1.189 132 G CA 0.263 45.577 45.100 0.357 0.000 0.881 132 G HN 0.236 nan 8.290 nan 0.000 0.535 133 Y N -2.578 117.887 120.300 0.275 0.000 2.689 133 Y HA 0.737 5.287 4.550 0.001 0.000 0.333 133 Y C -0.548 175.454 175.900 0.171 0.000 1.208 133 Y CA -1.531 56.689 58.100 0.199 0.000 1.055 133 Y CB 1.000 39.584 38.460 0.207 0.000 1.304 133 Y HN 0.887 nan 8.280 nan 0.000 0.455 134 A N 2.180 125.153 122.820 0.255 0.000 2.355 134 A HA 0.785 5.105 4.320 0.001 0.000 0.317 134 A C -2.054 175.709 177.584 0.299 0.000 1.094 134 A CA -0.805 51.326 52.037 0.157 0.000 0.764 134 A CB 1.460 20.520 19.000 0.100 0.000 1.230 134 A HN 0.959 nan 8.150 nan 0.000 0.448 135 L N 3.013 124.386 121.223 0.250 0.000 2.381 135 L HA 0.717 5.057 4.340 0.001 0.000 0.274 135 L C -1.567 175.393 176.870 0.150 0.000 0.988 135 L CA -0.647 54.331 54.840 0.231 0.000 0.824 135 L CB 2.007 44.253 42.059 0.312 0.000 1.263 135 L HN 0.463 nan 8.230 nan 0.000 0.410 136 V N 3.150 123.139 119.914 0.126 0.000 2.443 136 V HA 0.467 4.588 4.120 0.001 0.000 0.293 136 V C -0.327 175.850 176.094 0.138 0.000 1.021 136 V CA -0.524 61.844 62.300 0.113 0.000 0.848 136 V CB 1.941 33.815 31.823 0.086 0.000 0.998 136 V HN 0.820 nan 8.190 nan 0.000 0.424 137 S N 3.586 119.387 115.700 0.168 0.000 2.437 137 S HA 0.818 5.289 4.470 0.001 0.000 0.305 137 S C -0.642 174.129 174.600 0.285 0.000 1.109 137 S CA -0.706 57.652 58.200 0.263 0.000 1.099 137 S CB 1.432 64.784 63.200 0.252 0.000 1.004 137 S HN 0.778 nan 8.310 nan 0.000 0.475 138 N N 1.105 119.971 118.700 0.278 0.000 2.718 138 N HA 0.257 4.997 4.740 0.001 0.000 0.260 138 N C -1.839 173.602 175.510 -0.115 0.000 1.089 138 N CA -0.019 53.111 53.050 0.133 0.000 1.021 138 N CB 1.430 39.960 38.487 0.072 0.000 1.618 138 N HN 0.731 nan 8.380 nan 0.000 0.554 139 D N 3.474 123.722 120.400 -0.252 0.000 2.735 139 D HA -0.122 4.519 4.640 0.001 0.000 0.235 139 D C 0.866 176.830 176.300 -0.559 0.000 1.175 139 D CA 2.627 56.406 54.000 -0.369 0.000 0.683 139 D CB -1.046 39.662 40.800 -0.153 0.000 1.008 139 D HN 1.122 nan 8.370 nan 0.000 0.416 140 G N 0.321 108.392 108.800 -1.214 0.000 2.148 140 G HA2 -0.335 3.626 3.960 0.001 0.000 0.254 140 G HA3 -0.335 3.626 3.960 0.001 0.000 0.254 140 G C 0.269 174.950 174.900 -0.366 0.000 0.981 140 G CA 0.619 45.233 45.100 -0.809 0.000 0.670 140 G HN 0.628 nan 8.290 nan 0.000 0.528 141 K N -0.744 119.489 120.400 -0.278 0.000 2.464 141 K HA 0.719 5.039 4.320 0.001 0.000 0.253 141 K C -0.712 175.974 176.600 0.142 0.000 0.933 141 K CA -0.842 55.434 56.287 -0.019 0.000 0.801 141 K CB 2.062 34.540 32.500 -0.038 0.000 1.271 141 K HN 0.132 nan 8.250 nan 0.000 0.430 142 I N 1.973 122.626 120.570 0.139 0.000 2.418 142 I HA 0.450 4.620 4.170 0.001 0.000 0.287 142 I C -0.677 175.460 176.117 0.034 0.000 1.008 142 I CA -0.659 60.722 61.300 0.134 0.000 1.104 142 I CB 2.078 40.167 38.000 0.148 0.000 1.264 142 I HN 0.583 nan 8.210 nan 0.000 0.438 143 A N 7.761 130.609 122.820 0.047 0.000 2.288 143 A HA 0.860 5.181 4.320 0.001 0.000 0.320 143 A C -0.555 177.048 177.584 0.032 0.000 1.217 143 A CA -0.408 51.644 52.037 0.025 0.000 0.840 143 A CB 0.493 19.517 19.000 0.040 0.000 1.179 143 A HN 0.696 nan 8.150 nan 0.000 0.504 144 I N 2.310 122.879 120.570 -0.002 0.000 2.420 144 I HA 0.320 4.490 4.170 0.001 0.000 0.282 144 I C -0.196 175.946 176.117 0.043 0.000 1.019 144 I CA -0.036 61.273 61.300 0.015 0.000 1.130 144 I CB 1.566 39.514 38.000 -0.086 0.000 1.262 144 I HN 0.787 nan 8.210 nan 0.000 0.454 145 E N 5.421 125.687 120.200 0.110 0.000 2.185 145 E HA 0.566 4.916 4.350 0.001 0.000 0.261 145 E C -0.531 176.174 176.600 0.174 0.000 0.879 145 E CA -0.555 55.910 56.400 0.107 0.000 0.756 145 E CB 1.839 31.590 29.700 0.086 0.000 1.152 145 E HN 0.730 nan 8.360 nan 0.000 0.416 146 G N 2.850 111.740 108.800 0.150 0.000 2.412 146 G HA2 0.101 4.062 3.960 0.001 0.000 0.318 146 G HA3 0.101 4.062 3.960 0.001 0.000 0.318 146 G C 0.518 175.505 174.900 0.145 0.000 1.146 146 G CA -0.426 44.795 45.100 0.201 0.000 0.882 146 G HN 0.516 nan 8.290 nan 0.000 0.501 147 K N -0.211 120.283 120.400 0.158 0.000 2.217 147 K HA 0.009 4.330 4.320 0.001 0.000 0.202 147 K C 0.396 177.046 176.600 0.083 0.000 1.051 147 K CA 1.649 57.996 56.287 0.100 0.000 0.952 147 K CB 0.010 32.562 32.500 0.087 0.000 0.736 147 K HN 0.710 nan 8.250 nan 0.000 0.453 148 D N -4.387 116.073 120.400 0.100 0.000 2.626 148 D HA 0.289 4.930 4.640 0.001 0.000 0.278 148 D C 1.034 177.371 176.300 0.061 0.000 1.211 148 D CA -0.298 53.744 54.000 0.070 0.000 0.903 148 D CB 0.160 40.999 40.800 0.065 0.000 1.408 148 D HN -0.107 nan 8.370 nan 0.000 0.454 149 G N -0.428 108.389 108.800 0.030 0.000 2.503 149 G HA2 -0.305 3.656 3.960 0.001 0.000 0.221 149 G HA3 -0.305 3.656 3.960 0.001 0.000 0.221 149 G C 0.830 175.713 174.900 -0.028 0.000 1.131 149 G CA 1.218 46.322 45.100 0.006 0.000 0.756 149 G HN 0.542 nan 8.290 nan 0.000 0.572 150 D N 0.585 120.953 120.400 -0.054 0.000 2.097 150 D HA -0.068 4.573 4.640 0.001 0.000 0.195 150 D C 2.661 178.864 176.300 -0.162 0.000 0.989 150 D CA 1.352 55.235 54.000 -0.194 0.000 0.827 150 D CB -0.861 39.905 40.800 -0.057 0.000 0.966 150 D HN 0.320 nan 8.370 nan 0.000 0.456 151 G N 0.075 108.952 108.800 0.128 0.000 2.418 151 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 151 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 151 G C 1.699 176.709 174.900 0.184 0.000 1.158 151 G CA 1.487 46.786 45.100 0.333 0.000 0.771 151 G HN 0.228 nan 8.290 nan 0.000 0.545 152 T N 0.831 115.439 114.554 0.090 0.000 2.684 152 T HA -0.191 4.159 4.350 0.001 0.000 0.267 152 T C 1.937 176.603 174.700 -0.058 0.000 1.036 152 T CA 1.319 63.429 62.100 0.016 0.000 1.148 152 T CB -0.356 68.525 68.868 0.022 0.000 0.863 152 T HN 0.291 nan 8.240 nan 0.000 0.436 153 F N 0.750 120.567 119.950 -0.222 0.000 2.171 153 F HA -0.166 4.362 4.527 0.001 0.000 0.300 153 F C 1.944 177.590 175.800 -0.257 0.000 1.090 153 F CA 1.168 59.006 58.000 -0.270 0.000 1.293 153 F CB -0.286 38.498 39.000 -0.360 0.000 1.013 153 F HN 0.123 nan 8.300 nan 0.000 0.486 154 Y N 0.489 120.782 120.300 -0.012 0.000 2.314 154 Y HA 0.078 4.629 4.550 0.001 0.000 0.293 154 Y C 2.680 178.140 175.900 -0.733 0.000 1.129 154 Y CA 0.596 58.541 58.100 -0.258 0.000 1.201 154 Y CB -1.484 36.973 38.460 -0.004 0.000 0.999 154 Y HN 0.112 nan 8.280 nan 0.000 0.541 155 G N -0.340 107.945 108.800 -0.859 0.000 2.440 155 G HA2 -0.211 3.749 3.960 0.001 0.000 0.218 155 G HA3 -0.211 3.749 3.960 0.001 0.000 0.218 155 G C 1.817 176.453 174.900 -0.440 0.000 1.154 155 G CA 1.393 45.886 45.100 -1.012 0.000 0.767 155 G HN 0.294 nan 8.290 nan 0.000 0.552 156 V N 0.597 120.292 119.914 -0.364 0.000 2.407 156 V HA -0.176 3.944 4.120 0.001 0.000 0.248 156 V C 2.983 178.901 176.094 -0.293 0.000 1.055 156 V CA 1.787 63.919 62.300 -0.281 0.000 1.049 156 V CB -0.308 31.316 31.823 -0.332 0.000 0.662 156 V HN 0.305 nan 8.190 nan 0.000 0.455 157 Q N -0.144 119.412 119.800 -0.408 0.000 2.079 157 Q HA -0.137 4.204 4.340 0.001 0.000 0.200 157 Q C 2.374 178.201 176.000 -0.288 0.000 0.974 157 Q CA 2.083 57.670 55.803 -0.360 0.000 0.840 157 Q CB -1.065 27.476 28.738 -0.328 0.000 0.898 157 Q HN 0.630 nan 8.270 nan 0.000 0.430 158 T N 1.596 115.994 114.554 -0.259 0.000 2.746 158 T HA -0.124 4.226 4.350 0.001 0.000 0.267 158 T C 1.511 176.127 174.700 -0.140 0.000 1.039 158 T CA 1.155 63.157 62.100 -0.163 0.000 1.142 158 T CB -0.485 68.357 68.868 -0.043 0.000 0.866 158 T HN 0.273 nan 8.240 nan 0.000 0.444 159 F N 2.412 122.200 119.950 -0.269 0.000 2.091 159 F HA -0.186 4.342 4.527 0.001 0.000 0.299 159 F C 2.075 177.626 175.800 -0.416 0.000 1.103 159 F CA 1.490 59.324 58.000 -0.277 0.000 1.228 159 F CB -0.291 38.545 39.000 -0.273 0.000 0.984 159 F HN 0.004 nan 8.300 nan 0.000 0.477 160 K N -0.241 119.728 120.400 -0.719 0.000 2.147 160 K HA -0.186 4.134 4.320 0.001 0.000 0.205 160 K C 2.048 178.276 176.600 -0.620 0.000 1.049 160 K CA 1.771 57.389 56.287 -1.115 0.000 0.936 160 K CB -0.272 31.725 32.500 -0.838 0.000 0.722 160 K HN 0.506 nan 8.250 nan 0.000 0.446 161 Q N 0.225 119.792 119.800 -0.389 0.000 2.269 161 Q HA 0.011 4.352 4.340 0.001 0.000 0.201 161 Q C 1.957 177.827 176.000 -0.217 0.000 0.946 161 Q CA 0.640 56.303 55.803 -0.234 0.000 0.877 161 Q CB 0.134 28.772 28.738 -0.167 0.000 0.963 161 Q HN 0.291 nan 8.270 nan 0.000 0.472 162 L N 0.301 121.359 121.223 -0.274 0.000 2.156 162 L HA -0.015 4.326 4.340 0.001 0.000 0.208 162 L C 0.642 177.367 176.870 -0.242 0.000 1.095 162 L CA 0.179 54.889 54.840 -0.217 0.000 0.770 162 L CB 0.135 42.091 42.059 -0.173 0.000 0.914 162 L HN -0.033 nan 8.230 nan 0.000 0.439 163 V N 1.239 120.945 119.914 -0.347 0.000 2.488 163 V HA 0.150 4.270 4.120 0.001 0.000 0.277 163 V C 0.252 176.281 176.094 -0.109 0.000 1.046 163 V CA -0.227 61.925 62.300 -0.246 0.000 0.986 163 V CB 0.990 32.647 31.823 -0.276 0.000 0.989 163 V HN 0.102 nan 8.190 nan 0.000 0.475 164 K N 4.215 124.560 120.400 -0.091 0.000 2.613 164 K HA 0.283 4.604 4.320 0.001 0.000 0.248 164 K C -0.032 176.535 176.600 -0.055 0.000 0.959 164 K CA -0.479 55.772 56.287 -0.060 0.000 0.855 164 K CB 1.156 33.620 32.500 -0.061 0.000 1.143 164 K HN 0.826 nan 8.250 nan 0.000 0.437 165 E N 2.359 122.531 120.200 -0.046 0.000 2.269 165 E HA -0.223 4.128 4.350 0.001 0.000 0.223 165 E C -0.680 175.895 176.600 -0.042 0.000 1.244 165 E CA 1.005 57.378 56.400 -0.045 0.000 0.713 165 E CB -1.298 28.379 29.700 -0.038 0.000 1.178 165 E HN 0.853 nan 8.360 nan 0.000 0.370 166 S N -2.057 113.617 115.700 -0.043 0.000 3.380 166 S HA -0.223 4.248 4.470 0.001 0.000 0.300 166 S C -0.034 174.536 174.600 -0.051 0.000 1.255 166 S CA 1.077 59.260 58.200 -0.029 0.000 0.963 166 S CB -0.795 62.398 63.200 -0.011 0.000 1.106 166 S HN 0.488 nan 8.310 nan 0.000 0.629 167 N N 0.520 119.167 118.700 -0.087 0.000 2.405 167 N HA 0.724 5.465 4.740 0.001 0.000 0.299 167 N C -0.650 174.733 175.510 -0.211 0.000 1.075 167 N CA -0.387 52.577 53.050 -0.143 0.000 0.884 167 N CB 1.873 40.300 38.487 -0.101 0.000 1.194 167 N HN 0.415 nan 8.380 nan 0.000 0.491 168 I N 2.055 122.411 120.570 -0.357 0.000 2.582 168 I HA 0.410 4.581 4.170 0.001 0.000 0.292 168 I C -2.424 173.486 176.117 -0.345 0.000 1.066 168 I CA -2.424 58.664 61.300 -0.353 0.000 1.053 168 I CB 3.008 40.779 38.000 -0.381 0.000 1.241 168 I HN 0.271 nan 8.210 nan 0.000 0.421 169 P HA 0.118 nan 4.420 nan 0.000 0.272 169 P C -1.283 175.987 177.300 -0.050 0.000 1.230 169 P CA -0.110 62.930 63.100 -0.099 0.000 0.788 169 P CB 0.506 32.175 31.700 -0.052 0.000 0.949 170 E N 0.203 120.426 120.200 0.038 0.000 2.089 170 E HA 0.344 4.695 4.350 0.001 0.000 0.284 170 E C -0.257 176.392 176.600 0.082 0.000 1.023 170 E CA -0.591 55.881 56.400 0.121 0.000 0.819 170 E CB 0.712 30.515 29.700 0.172 0.000 1.076 170 E HN 0.250 nan 8.360 nan 0.000 0.396 171 V N 0.677 120.643 119.914 0.087 0.000 3.078 171 V HA 0.566 4.687 4.120 0.001 0.000 0.311 171 V C -0.808 175.333 176.094 0.080 0.000 1.138 171 V CA -1.250 61.091 62.300 0.069 0.000 1.007 171 V CB 2.348 34.204 31.823 0.055 0.000 1.045 171 V HN 0.410 nan 8.190 nan 0.000 0.432 172 N N 2.281 121.020 118.700 0.064 0.000 2.417 172 N HA 0.710 5.451 4.740 0.001 0.000 0.274 172 N C -1.076 174.469 175.510 0.057 0.000 0.987 172 N CA -0.210 52.878 53.050 0.063 0.000 0.912 172 N CB 1.976 40.493 38.487 0.050 0.000 1.177 172 N HN 0.779 nan 8.380 nan 0.000 0.490 173 I N 1.115 121.725 120.570 0.067 0.000 2.509 173 I HA 0.397 4.567 4.170 0.001 0.000 0.293 173 I C -0.187 175.927 176.117 -0.005 0.000 1.020 173 I CA -0.737 60.589 61.300 0.044 0.000 1.088 173 I CB 2.115 40.172 38.000 0.095 0.000 1.267 173 I HN 0.379 nan 8.210 nan 0.000 0.430 174 T N 0.455 114.984 114.554 -0.042 0.000 2.879 174 T HA 0.615 4.966 4.350 0.001 0.000 0.290 174 T C -1.014 173.630 174.700 -0.095 0.000 0.993 174 T CA -0.769 61.290 62.100 -0.068 0.000 0.975 174 T CB 2.404 71.287 68.868 0.025 0.000 0.981 174 T HN 0.426 nan 8.240 nan 0.000 0.439 175 D N 1.219 121.484 120.400 -0.224 0.000 2.661 175 D HA 0.678 5.318 4.640 0.001 0.000 0.228 175 D C -1.580 174.782 176.300 0.104 0.000 1.210 175 D CA -0.306 53.586 54.000 -0.180 0.000 0.826 175 D CB 2.106 42.669 40.800 -0.395 0.000 1.542 175 D HN 0.778 nan 8.370 nan 0.000 0.447 176 Y N -1.719 118.568 120.300 -0.022 0.000 2.721 176 Y HA 0.445 4.996 4.550 0.001 0.000 0.357 176 Y C -3.130 172.038 175.900 -1.220 0.000 1.183 176 Y CA -1.688 56.172 58.100 -0.400 0.000 1.231 176 Y CB 0.645 38.960 38.460 -0.243 0.000 1.390 176 Y HN 0.063 nan 8.280 nan 0.000 0.488 177 P HA 0.196 nan 4.420 nan 0.000 0.278 177 P C 0.183 177.070 177.300 -0.688 0.000 1.238 177 P CA -0.043 62.088 63.100 -1.616 0.000 0.794 177 P CB 2.084 33.142 31.700 -1.069 0.000 0.955 178 T N 0.597 114.810 114.554 -0.569 0.000 2.708 178 T HA -0.005 4.346 4.350 0.001 0.000 0.266 178 T C 0.915 175.481 174.700 -0.222 0.000 1.037 178 T CA 1.176 63.087 62.100 -0.316 0.000 1.146 178 T CB -0.107 68.573 68.868 -0.313 0.000 0.865 178 T HN 0.219 nan 8.240 nan 0.000 0.435 179 V N 1.147 120.925 119.914 -0.227 0.000 2.555 179 V HA 0.279 4.400 4.120 0.001 0.000 0.302 179 V C 0.831 176.865 176.094 -0.099 0.000 1.038 179 V CA -0.391 61.833 62.300 -0.127 0.000 0.887 179 V CB 2.043 33.795 31.823 -0.118 0.000 0.991 179 V HN 0.259 nan 8.190 nan 0.000 0.434 180 S N 2.857 118.529 115.700 -0.046 0.000 2.368 180 S HA 0.048 4.518 4.470 0.001 0.000 0.224 180 S C 0.797 175.358 174.600 -0.065 0.000 1.029 180 S CA 1.152 59.331 58.200 -0.034 0.000 0.988 180 S CB 0.063 63.273 63.200 0.015 0.000 0.838 180 S HN 0.942 nan 8.310 nan 0.000 0.462 181 A N 1.710 124.437 122.820 -0.155 0.000 2.287 181 A HA 0.744 5.065 4.320 0.001 0.000 0.317 181 A C -0.335 177.072 177.584 -0.295 0.000 1.220 181 A CA -0.777 51.036 52.037 -0.374 0.000 0.835 181 A CB 0.746 19.154 19.000 -0.987 0.000 1.180 181 A HN 0.371 nan 8.150 nan 0.000 0.500 182 R N 1.762 122.171 120.500 -0.152 0.000 2.574 182 R HA 0.783 5.123 4.340 0.001 0.000 0.288 182 R C 0.204 176.486 176.300 -0.030 0.000 1.004 182 R CA -0.140 55.960 56.100 0.000 0.000 0.895 182 R CB 2.346 32.692 30.300 0.076 0.000 1.191 182 R HN 1.233 nan 8.270 nan 0.000 0.444 183 G N 1.768 110.560 108.800 -0.014 0.000 2.399 183 G HA2 0.314 4.274 3.960 0.001 0.000 0.256 183 G HA3 0.314 4.274 3.960 0.001 0.000 0.256 183 G C -1.903 172.916 174.900 -0.134 0.000 1.236 183 G CA -0.637 44.388 45.100 -0.124 0.000 0.914 183 G HN 0.278 nan 8.290 nan 0.000 0.482 184 I N 0.118 120.585 120.570 -0.171 0.000 2.509 184 I HA 0.625 4.796 4.170 0.001 0.000 0.293 184 I C -0.211 175.865 176.117 -0.068 0.000 1.020 184 I CA -1.000 60.249 61.300 -0.086 0.000 1.088 184 I CB 1.938 39.936 38.000 -0.004 0.000 1.267 184 I HN 0.434 nan 8.210 nan 0.000 0.430 185 V N 6.337 126.106 119.914 -0.242 0.000 2.370 185 V HA 0.364 4.484 4.120 0.001 0.000 0.283 185 V C 0.317 176.185 176.094 -0.376 0.000 1.023 185 V CA -0.371 61.662 62.300 -0.444 0.000 0.857 185 V CB 1.346 32.574 31.823 -0.992 0.000 0.985 185 V HN 0.840 nan 8.190 nan 0.000 0.443 186 E N 4.581 124.568 120.200 -0.355 0.000 2.222 186 E HA 0.239 4.590 4.350 0.001 0.000 0.312 186 E C 1.082 177.247 176.600 -0.725 0.000 1.263 186 E CA 0.421 56.513 56.400 -0.512 0.000 1.356 186 E CB -0.055 29.356 29.700 -0.482 0.000 1.180 186 E HN 0.940 nan 8.360 nan 0.000 0.494 187 G N 2.485 110.975 108.800 -0.516 0.000 3.159 187 G HA2 0.044 4.004 3.960 0.001 0.000 0.232 187 G HA3 0.044 4.004 3.960 0.001 0.000 0.232 187 G C 0.131 174.888 174.900 -0.238 0.000 1.116 187 G CA -0.419 44.512 45.100 -0.282 0.000 0.767 187 G HN 0.370 nan 8.290 nan 0.000 0.547 188 F N -0.423 119.412 119.950 -0.193 0.000 2.389 188 F HA 0.727 5.254 4.527 0.001 0.000 0.337 188 F C -0.025 175.687 175.800 -0.147 0.000 1.112 188 F CA -2.394 55.551 58.000 -0.091 0.000 1.192 188 F CB 0.385 39.324 39.000 -0.102 0.000 1.185 188 F HN -0.054 nan 8.300 nan 0.000 0.552 189 Y N 0.949 121.355 120.300 0.176 0.000 2.334 189 Y HA 0.586 5.136 4.550 0.001 0.000 0.325 189 Y C 0.991 177.010 175.900 0.199 0.000 1.308 189 Y CA 0.288 58.458 58.100 0.117 0.000 1.389 189 Y CB 0.933 39.464 38.460 0.118 0.000 1.328 189 Y HN 1.124 nan 8.280 nan 0.000 0.532 190 G N -0.455 108.536 108.800 0.318 0.000 2.498 190 G HA2 -0.152 3.809 3.960 0.001 0.000 0.651 190 G HA3 -0.152 3.809 3.960 0.001 0.000 0.651 190 G C -0.896 174.118 174.900 0.190 0.000 1.284 190 G CA -0.889 44.343 45.100 0.220 0.000 0.950 190 G HN 0.608 nan 8.290 nan 0.000 0.511 191 T N 3.428 118.071 114.554 0.148 0.000 2.800 191 T HA 0.373 4.724 4.350 0.001 0.000 0.283 191 T C -1.775 173.066 174.700 0.235 0.000 0.999 191 T CA 0.682 62.874 62.100 0.152 0.000 1.176 191 T CB 0.412 69.354 68.868 0.122 0.000 0.973 191 T HN 0.540 nan 8.240 nan 0.000 0.519 192 P HA 0.103 nan 4.420 nan 0.000 0.270 192 P C -0.119 177.426 177.300 0.408 0.000 1.223 192 P CA -0.676 62.564 63.100 0.234 0.000 0.785 192 P CB 0.416 32.194 31.700 0.131 0.000 0.923 193 W N 1.278 122.757 121.300 0.298 0.000 2.170 193 W HA 0.125 4.785 4.660 0.001 0.000 0.342 193 W C 1.060 177.688 176.519 0.182 0.000 1.294 193 W CA -0.243 57.239 57.345 0.230 0.000 1.246 193 W CB -0.897 28.729 29.460 0.276 0.000 1.156 193 W HN 0.323 nan 8.180 nan 0.000 0.572 194 T N -1.514 113.255 114.554 0.357 0.000 2.788 194 T HA 0.048 4.399 4.350 0.001 0.000 0.280 194 T C 1.035 175.905 174.700 0.283 0.000 0.984 194 T CA 0.027 62.286 62.100 0.266 0.000 0.972 194 T CB 0.970 69.942 68.868 0.173 0.000 1.039 194 T HN 0.492 nan 8.240 nan 0.000 0.530 195 H N 0.407 119.574 119.070 0.162 0.000 2.319 195 H HA -0.080 4.477 4.556 0.001 0.000 0.299 195 H C 2.264 177.644 175.328 0.087 0.000 1.092 195 H CA 2.238 58.371 56.048 0.141 0.000 1.302 195 H CB -0.149 29.674 29.762 0.102 0.000 1.373 195 H HN 0.499 nan 8.280 nan 0.000 0.497 196 Q N 0.351 120.170 119.800 0.031 0.000 2.124 196 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 196 Q C 1.879 177.807 176.000 -0.120 0.000 0.977 196 Q CA 1.410 57.170 55.803 -0.070 0.000 0.850 196 Q CB -0.299 28.430 28.738 -0.015 0.000 0.901 196 Q HN 0.618 nan 8.270 nan 0.000 0.429 197 D N 0.276 120.623 120.400 -0.089 0.000 2.104 197 D HA -0.154 4.487 4.640 0.001 0.000 0.194 197 D C 2.050 178.189 176.300 -0.270 0.000 0.994 197 D CA 1.116 54.984 54.000 -0.221 0.000 0.830 197 D CB -0.125 40.545 40.800 -0.217 0.000 0.959 197 D HN 0.237 nan 8.370 nan 0.000 0.452 198 R N 0.068 120.531 120.500 -0.062 0.000 2.075 198 R HA 0.006 4.347 4.340 0.001 0.000 0.232 198 R C 2.637 178.831 176.300 -0.177 0.000 1.126 198 R CA 0.519 56.617 56.100 -0.003 0.000 0.963 198 R CB -0.409 30.065 30.300 0.289 0.000 0.858 198 R HN 0.213 nan 8.270 nan 0.000 0.435 199 L N 0.599 121.691 121.223 -0.218 0.000 2.012 199 L HA -0.242 4.098 4.340 0.001 0.000 0.210 199 L C 2.159 178.902 176.870 -0.213 0.000 1.073 199 L CA 1.682 56.389 54.840 -0.221 0.000 0.748 199 L CB -0.515 41.392 42.059 -0.253 0.000 0.891 199 L HN 0.210 nan 8.230 nan 0.000 0.431 200 D N -1.083 119.179 120.400 -0.230 0.000 2.117 200 D HA -0.210 4.430 4.640 0.001 0.000 0.197 200 D C 2.313 178.424 176.300 -0.314 0.000 0.987 200 D CA 1.006 54.867 54.000 -0.233 0.000 0.829 200 D CB 0.174 40.828 40.800 -0.243 0.000 0.961 200 D HN 0.181 nan 8.370 nan 0.000 0.460 201 Q N -0.001 119.518 119.800 -0.469 0.000 2.050 201 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 201 Q C 2.611 177.947 176.000 -1.107 0.000 0.980 201 Q CA 0.927 56.278 55.803 -0.754 0.000 0.840 201 Q CB -0.324 27.962 28.738 -0.753 0.000 0.898 201 Q HN 0.505 nan 8.270 nan 0.000 0.424 202 I N 0.874 121.017 120.570 -0.712 0.000 2.163 202 I HA -0.328 3.842 4.170 0.001 0.000 0.243 202 I C 2.396 178.394 176.117 -0.198 0.000 1.085 202 I CA 1.386 62.438 61.300 -0.413 0.000 1.347 202 I CB -0.276 37.636 38.000 -0.147 0.000 1.044 202 I HN 0.165 nan 8.210 nan 0.000 0.408 203 K N 0.083 120.399 120.400 -0.139 0.000 2.063 203 K HA -0.236 4.084 4.320 0.001 0.000 0.208 203 K C 2.149 178.769 176.600 0.033 0.000 1.048 203 K CA 1.793 58.071 56.287 -0.015 0.000 0.928 203 K CB -0.375 32.117 32.500 -0.014 0.000 0.713 203 K HN 0.166 nan 8.250 nan 0.000 0.442 204 F N 0.870 120.708 119.950 -0.188 0.000 2.171 204 F HA -0.250 4.278 4.527 0.001 0.000 0.300 204 F C 1.780 177.622 175.800 0.070 0.000 1.090 204 F CA 1.373 59.315 58.000 -0.098 0.000 1.293 204 F CB -0.218 38.684 39.000 -0.165 0.000 1.013 204 F HN 0.004 nan 8.300 nan 0.000 0.486 205 Y N 0.441 120.753 120.300 0.020 0.000 2.114 205 Y HA -0.045 4.506 4.550 0.001 0.000 0.284 205 Y C 2.839 178.734 175.900 -0.009 0.000 1.143 205 Y CA 0.656 58.736 58.100 -0.033 0.000 1.135 205 Y CB -1.697 36.805 38.460 0.070 0.000 0.980 205 Y HN 0.090 nan 8.280 nan 0.000 0.499 206 G N -0.067 108.883 108.800 0.250 0.000 2.476 206 G HA2 -0.284 3.677 3.960 0.001 0.000 0.218 206 G HA3 -0.284 3.677 3.960 0.001 0.000 0.218 206 G C 1.522 176.605 174.900 0.306 0.000 1.164 206 G CA 1.199 46.534 45.100 0.392 0.000 0.768 206 G HN 0.471 nan 8.290 nan 0.000 0.560 207 E N 0.388 120.625 120.200 0.063 0.000 2.204 207 E HA -0.050 4.301 4.350 0.001 0.000 0.195 207 E C 1.424 177.898 176.600 -0.210 0.000 0.990 207 E CA 0.644 56.989 56.400 -0.091 0.000 0.821 207 E CB -0.003 29.639 29.700 -0.097 0.000 0.750 207 E HN 0.431 nan 8.360 nan 0.000 0.477 208 N N 0.291 118.819 118.700 -0.287 0.000 2.214 208 N HA 0.067 4.808 4.740 0.001 0.000 0.214 208 N C -0.549 174.760 175.510 -0.335 0.000 1.132 208 N CA 0.106 52.928 53.050 -0.380 0.000 0.856 208 N CB 0.759 38.916 38.487 -0.550 0.000 1.020 208 N HN 0.034 nan 8.380 nan 0.000 0.509 209 K N 0.285 120.540 120.400 -0.241 0.000 3.339 209 K HA -0.146 4.174 4.320 0.001 0.000 0.299 209 K C -0.570 175.936 176.600 -0.156 0.000 1.270 209 K CA 0.485 56.504 56.287 -0.447 0.000 0.875 209 K CB -1.761 30.076 32.500 -1.104 0.000 1.298 209 K HN 0.228 nan 8.250 nan 0.000 0.485 210 L N 2.025 123.252 121.223 0.007 0.000 2.290 210 L HA 0.161 4.501 4.340 0.001 0.000 0.284 210 L C 1.301 178.259 176.870 0.147 0.000 1.078 210 L CA -0.442 54.432 54.840 0.058 0.000 0.815 210 L CB 0.561 42.616 42.059 -0.006 0.000 1.162 210 L HN 0.197 nan 8.230 nan 0.000 0.435 211 N N -0.008 118.768 118.700 0.127 0.000 2.187 211 N HA 0.050 4.790 4.740 0.001 0.000 0.212 211 N C -0.332 175.237 175.510 0.098 0.000 1.152 211 N CA -0.319 52.830 53.050 0.164 0.000 0.872 211 N CB 0.838 39.451 38.487 0.209 0.000 1.025 211 N HN 0.378 nan 8.380 nan 0.000 0.514 212 T N 0.914 115.495 114.554 0.045 0.000 2.881 212 T HA 0.242 4.593 4.350 0.001 0.000 0.291 212 T C -2.129 172.634 174.700 0.105 0.000 0.990 212 T CA -0.412 61.706 62.100 0.030 0.000 0.976 212 T CB 1.267 70.055 68.868 -0.133 0.000 0.970 212 T HN 0.173 nan 8.240 nan 0.000 0.438 213 Y N 4.372 124.683 120.300 0.019 0.000 2.349 213 Y HA 0.555 5.106 4.550 0.001 0.000 0.324 213 Y C -1.156 174.700 175.900 -0.074 0.000 1.005 213 Y CA -1.847 56.270 58.100 0.029 0.000 1.240 213 Y CB 0.514 39.111 38.460 0.229 0.000 1.117 213 Y HN 0.610 nan 8.280 nan 0.000 0.463 214 I N 7.815 128.216 120.570 -0.280 0.000 2.269 214 I HA 0.060 4.230 4.170 0.001 0.000 0.293 214 I C -0.693 174.971 176.117 -0.755 0.000 1.106 214 I CA -0.665 60.369 61.300 -0.444 0.000 1.248 214 I CB 0.009 37.867 38.000 -0.236 0.000 1.444 214 I HN 0.591 nan 8.210 nan 0.000 0.497 215 Y N 7.053 126.630 120.300 -1.204 0.000 2.637 215 Y HA 0.376 4.926 4.550 0.001 0.000 0.350 215 Y C 0.445 175.823 175.900 -0.871 0.000 1.069 215 Y CA -0.443 57.000 58.100 -1.094 0.000 1.397 215 Y CB 0.432 38.172 38.460 -1.200 0.000 1.163 215 Y HN 0.616 nan 8.280 nan 0.000 0.527 216 A N 8.254 130.368 122.820 -1.178 0.000 3.455 216 A HA 0.327 4.647 4.320 0.001 0.000 0.225 216 A C -3.091 173.667 177.584 -1.377 0.000 1.052 216 A CA -0.943 50.263 52.037 -1.385 0.000 1.005 216 A CB -0.127 18.276 19.000 -0.996 0.000 1.318 216 A HN 0.486 nan 8.150 nan 0.000 0.639 217 P HA 0.267 nan 4.420 nan 0.000 0.281 217 P C 0.411 177.334 177.300 -0.629 0.000 1.249 217 P CA -0.262 62.305 63.100 -0.889 0.000 0.810 217 P CB 1.177 32.465 31.700 -0.686 0.000 1.008 218 K N 1.485 121.616 120.400 -0.449 0.000 2.281 218 K HA -0.135 4.186 4.320 0.001 0.000 0.203 218 K C 1.055 177.604 176.600 -0.085 0.000 1.046 218 K CA 1.439 57.598 56.287 -0.213 0.000 0.938 218 K CB -0.595 31.769 32.500 -0.227 0.000 0.737 218 K HN 0.620 nan 8.250 nan 0.000 0.458 219 D N 0.131 120.475 120.400 -0.094 0.000 2.339 219 D HA -0.069 4.571 4.640 0.001 0.000 0.217 219 D C -0.359 175.988 176.300 0.079 0.000 1.050 219 D CA -0.031 53.975 54.000 0.010 0.000 0.856 219 D CB 0.007 40.828 40.800 0.035 0.000 0.922 219 D HN -0.142 nan 8.370 nan 0.000 0.518 220 D N 0.939 121.391 120.400 0.087 0.000 2.443 220 D HA 0.217 4.858 4.640 0.001 0.000 0.221 220 D C -1.792 174.651 176.300 0.238 0.000 1.097 220 D CA -2.367 51.779 54.000 0.244 0.000 0.865 220 D CB 2.038 43.045 40.800 0.345 0.000 1.034 220 D HN -0.140 nan 8.370 nan 0.000 0.511 221 P HA -0.119 nan 4.420 nan 0.000 0.218 221 P C 0.793 178.010 177.300 -0.138 0.000 1.149 221 P CA 0.937 63.994 63.100 -0.072 0.000 0.817 221 P CB -0.011 31.552 31.700 -0.228 0.000 0.785 222 Y N -1.600 118.720 120.300 0.033 0.000 2.651 222 Y HA -0.154 4.396 4.550 0.001 0.000 0.296 222 Y C 2.349 178.362 175.900 0.189 0.000 1.150 222 Y CA 1.230 59.278 58.100 -0.087 0.000 1.348 222 Y CB -1.154 36.920 38.460 -0.644 0.000 0.983 222 Y HN 0.293 nan 8.280 nan 0.000 0.555 223 H N -1.598 117.614 119.070 0.237 0.000 2.648 223 H HA 0.288 4.845 4.556 0.001 0.000 0.265 223 H C 1.892 177.200 175.328 -0.034 0.000 0.961 223 H CA 0.329 56.437 56.048 0.100 0.000 1.185 223 H CB 0.382 29.994 29.762 -0.250 0.000 1.449 223 H HN 0.147 nan 8.280 nan 0.000 0.523 224 R N 0.012 120.253 120.500 -0.432 0.000 4.512 224 R HA 0.041 4.381 4.340 0.001 0.000 0.113 224 R C 1.352 177.616 176.300 -0.061 0.000 1.445 224 R CA 0.476 56.327 56.100 -0.414 0.000 1.001 224 R CB 0.145 30.096 30.300 -0.581 0.000 1.175 224 R HN 0.257 nan 8.270 nan 0.000 0.408 225 E N 1.555 121.696 120.200 -0.098 0.000 2.333 225 E HA -0.166 4.184 4.350 0.001 0.000 0.198 225 E C 0.243 176.757 176.600 -0.144 0.000 1.007 225 E CA 1.187 57.543 56.400 -0.072 0.000 0.845 225 E CB 0.091 29.740 29.700 -0.085 0.000 0.766 225 E HN 0.303 nan 8.360 nan 0.000 0.507 226 K N 0.763 121.032 120.400 -0.218 0.000 2.758 226 K HA 0.106 4.427 4.320 0.001 0.000 0.208 226 K C 1.134 177.573 176.600 -0.268 0.000 1.091 226 K CA -0.314 55.755 56.287 -0.363 0.000 1.059 226 K CB 0.068 32.163 32.500 -0.674 0.000 0.801 226 K HN 0.237 nan 8.250 nan 0.000 0.470 227 W N 0.854 122.032 121.300 -0.204 0.000 2.331 227 W HA -0.220 4.441 4.660 0.001 0.000 0.291 227 W C 0.800 177.253 176.519 -0.110 0.000 1.214 227 W CA 0.681 57.947 57.345 -0.132 0.000 1.228 227 W CB -0.529 28.831 29.460 -0.167 0.000 1.135 227 W HN 0.033 nan 8.180 nan 0.000 0.537 228 R N 0.930 120.844 120.500 -0.976 0.000 2.115 228 R HA -0.045 4.295 4.340 0.001 0.000 0.230 228 R C 0.508 176.577 176.300 -0.384 0.000 1.111 228 R CA 1.069 56.608 56.100 -0.935 0.000 0.976 228 R CB -0.322 29.196 30.300 -1.303 0.000 0.870 228 R HN 0.202 nan 8.270 nan 0.000 0.445 229 E N 1.318 121.348 120.200 -0.283 0.000 2.223 229 E HA 0.114 4.464 4.350 0.001 0.000 0.282 229 E C -2.347 174.260 176.600 0.011 0.000 1.046 229 E CA -2.163 54.177 56.400 -0.100 0.000 0.857 229 E CB 0.936 30.603 29.700 -0.055 0.000 1.055 229 E HN -0.032 nan 8.360 nan 0.000 0.409 230 P HA -0.100 nan 4.420 nan 0.000 0.268 230 P C -0.955 176.294 177.300 -0.085 0.000 1.208 230 P CA 0.162 63.252 63.100 -0.016 0.000 0.777 230 P CB 0.316 32.024 31.700 0.014 0.000 0.875 231 Y N 2.472 122.666 120.300 -0.177 0.000 2.620 231 Y HA 0.072 4.622 4.550 0.001 0.000 0.330 231 Y C -1.100 174.646 175.900 -0.258 0.000 1.186 231 Y CA -0.821 57.023 58.100 -0.426 0.000 1.467 231 Y CB -0.765 37.485 38.460 -0.350 0.000 1.262 231 Y HN 0.354 nan 8.280 nan 0.000 0.550 232 P HA 0.033 nan 4.420 nan 0.000 0.276 232 P C 0.257 177.545 177.300 -0.021 0.000 1.252 232 P CA -0.292 62.791 63.100 -0.029 0.000 0.802 232 P CB 1.043 32.746 31.700 0.005 0.000 1.035 233 E N 0.435 120.629 120.200 -0.011 0.000 2.209 233 E HA -0.138 4.212 4.350 0.001 0.000 0.196 233 E C 1.738 178.323 176.600 -0.025 0.000 0.993 233 E CA 1.682 58.071 56.400 -0.019 0.000 0.819 233 E CB -0.397 29.296 29.700 -0.012 0.000 0.745 233 E HN 0.559 nan 8.360 nan 0.000 0.477 234 S N 0.220 115.913 115.700 -0.011 0.000 2.537 234 S HA -0.085 4.386 4.470 0.001 0.000 0.240 234 S C 1.372 175.961 174.600 -0.019 0.000 0.981 234 S CA 0.766 58.962 58.200 -0.006 0.000 0.948 234 S CB 0.117 63.327 63.200 0.018 0.000 0.759 234 S HN 0.110 nan 8.310 nan 0.000 0.531 235 E N -0.238 119.939 120.200 -0.038 0.000 2.572 235 E HA 0.275 4.626 4.350 0.001 0.000 0.220 235 E C 1.388 177.891 176.600 -0.161 0.000 0.945 235 E CA -0.043 56.318 56.400 -0.065 0.000 1.070 235 E CB 0.053 29.754 29.700 0.002 0.000 1.090 235 E HN 0.506 nan 8.360 nan 0.000 0.506 236 M N 0.506 120.026 119.600 -0.134 0.000 2.229 236 M HA -0.126 4.354 4.480 0.001 0.000 0.264 236 M C 2.303 178.504 176.300 -0.166 0.000 1.063 236 M CA 1.362 56.563 55.300 -0.165 0.000 1.114 236 M CB -0.465 32.075 32.600 -0.100 0.000 1.387 236 M HN 0.112 nan 8.290 nan 0.000 0.420 237 Q N 0.733 120.456 119.800 -0.128 0.000 2.016 237 Q HA -0.200 4.140 4.340 0.001 0.000 0.200 237 Q C 2.223 178.140 176.000 -0.138 0.000 0.978 237 Q CA 1.685 57.420 55.803 -0.112 0.000 0.833 237 Q CB -0.103 28.585 28.738 -0.084 0.000 0.895 237 Q HN 0.396 nan 8.270 nan 0.000 0.427 238 R N -0.461 119.927 120.500 -0.188 0.000 2.080 238 R HA -0.169 4.172 4.340 0.001 0.000 0.236 238 R C 2.219 178.428 176.300 -0.152 0.000 1.137 238 R CA 1.929 57.870 56.100 -0.264 0.000 0.943 238 R CB -0.182 29.928 30.300 -0.317 0.000 0.846 238 R HN 0.345 nan 8.270 nan 0.000 0.431 239 M N 0.500 119.940 119.600 -0.267 0.000 2.108 239 M HA -0.186 4.295 4.480 0.001 0.000 0.261 239 M C 2.222 178.305 176.300 -0.362 0.000 1.066 239 M CA 1.650 56.715 55.300 -0.391 0.000 1.107 239 M CB -0.938 31.269 32.600 -0.655 0.000 1.356 239 M HN 0.199 nan 8.290 nan 0.000 0.406 240 Q N 0.658 120.299 119.800 -0.266 0.000 2.079 240 Q HA -0.124 4.216 4.340 0.001 0.000 0.200 240 Q C 1.775 177.672 176.000 -0.170 0.000 0.974 240 Q CA 1.683 57.351 55.803 -0.225 0.000 0.840 240 Q CB -0.100 28.543 28.738 -0.159 0.000 0.898 240 Q HN 0.540 nan 8.270 nan 0.000 0.430 241 E N -0.230 119.921 120.200 -0.082 0.000 2.097 241 E HA -0.226 4.124 4.350 0.001 0.000 0.196 241 E C 1.967 178.539 176.600 -0.046 0.000 1.000 241 E CA 1.409 57.802 56.400 -0.011 0.000 0.804 241 E CB -0.242 29.541 29.700 0.138 0.000 0.740 241 E HN 0.377 nan 8.360 nan 0.000 0.454 242 L N 0.409 121.594 121.223 -0.063 0.000 2.056 242 L HA -0.169 4.171 4.340 0.001 0.000 0.207 242 L C 2.505 179.231 176.870 -0.239 0.000 1.078 242 L CA 0.884 55.680 54.840 -0.074 0.000 0.749 242 L CB -0.348 41.704 42.059 -0.011 0.000 0.901 242 L HN 0.157 nan 8.230 nan 0.000 0.433 243 I N -0.013 120.239 120.570 -0.529 0.000 2.179 243 I HA -0.284 3.887 4.170 0.001 0.000 0.242 243 I C 2.252 178.231 176.117 -0.230 0.000 1.088 243 I CA 1.121 62.082 61.300 -0.565 0.000 1.357 243 I CB -0.381 37.260 38.000 -0.598 0.000 1.051 243 I HN 0.330 nan 8.210 nan 0.000 0.409 244 N N 1.276 119.872 118.700 -0.173 0.000 2.058 244 N HA -0.151 4.590 4.740 0.001 0.000 0.191 244 N C 1.938 177.411 175.510 -0.061 0.000 1.037 244 N CA 1.739 54.728 53.050 -0.100 0.000 0.848 244 N CB -0.681 37.757 38.487 -0.082 0.000 1.021 244 N HN 0.344 nan 8.380 nan 0.000 0.422 245 A N 0.776 123.567 122.820 -0.048 0.000 1.892 245 A HA -0.195 4.125 4.320 0.001 0.000 0.218 245 A C 2.500 180.089 177.584 0.008 0.000 1.188 245 A CA 2.234 54.260 52.037 -0.020 0.000 0.631 245 A CB -1.021 17.963 19.000 -0.027 0.000 0.822 245 A HN 0.307 nan 8.150 nan 0.000 0.447 246 S N -0.188 115.543 115.700 0.051 0.000 2.365 246 S HA -0.135 4.336 4.470 0.001 0.000 0.221 246 S C 2.390 177.011 174.600 0.034 0.000 1.037 246 S CA 1.595 59.870 58.200 0.124 0.000 1.060 246 S CB -0.810 62.560 63.200 0.283 0.000 0.974 246 S HN 0.922 nan 8.310 nan 0.000 0.427 247 A N 1.592 124.410 122.820 -0.003 0.000 1.903 247 A HA -0.254 4.067 4.320 0.001 0.000 0.219 247 A C 1.972 179.493 177.584 -0.104 0.000 1.191 247 A CA 2.000 54.007 52.037 -0.050 0.000 0.638 247 A CB -0.813 18.153 19.000 -0.056 0.000 0.823 247 A HN 0.632 nan 8.150 nan 0.000 0.451 248 E N -0.469 119.684 120.200 -0.078 0.000 2.268 248 E HA -0.098 4.252 4.350 0.001 0.000 0.195 248 E C 0.685 177.206 176.600 -0.132 0.000 0.995 248 E CA 0.781 57.138 56.400 -0.073 0.000 0.836 248 E CB -0.126 29.564 29.700 -0.017 0.000 0.763 248 E HN 0.589 nan 8.360 nan 0.000 0.491 249 N N 0.372 118.968 118.700 -0.174 0.000 2.214 249 N HA 0.015 4.756 4.740 0.001 0.000 0.214 249 N C -0.378 174.737 175.510 -0.657 0.000 1.132 249 N CA 0.091 52.972 53.050 -0.282 0.000 0.856 249 N CB 0.767 39.276 38.487 0.038 0.000 1.020 249 N HN -0.077 nan 8.380 nan 0.000 0.509 250 K N -0.318 119.715 120.400 -0.612 0.000 3.209 250 K HA -0.116 4.204 4.320 0.001 0.000 0.289 250 K C -0.561 175.971 176.600 -0.113 0.000 1.191 250 K CA 0.289 56.297 56.287 -0.465 0.000 0.851 250 K CB -2.303 29.694 32.500 -0.839 0.000 1.242 250 K HN 0.035 nan 8.250 nan 0.000 0.480 251 V N 2.160 122.067 119.914 -0.012 0.000 2.406 251 V HA 0.116 4.237 4.120 0.001 0.000 0.272 251 V C 0.592 176.783 176.094 0.162 0.000 1.043 251 V CA -0.678 61.705 62.300 0.139 0.000 0.915 251 V CB 1.432 33.402 31.823 0.246 0.000 0.988 251 V HN 0.055 nan 8.190 nan 0.000 0.466 252 D N 4.405 124.900 120.400 0.158 0.000 2.346 252 D HA 0.072 4.713 4.640 0.001 0.000 0.260 252 D C -0.268 176.170 176.300 0.231 0.000 1.252 252 D CA 0.232 54.331 54.000 0.166 0.000 0.895 252 D CB 0.630 41.503 40.800 0.122 0.000 1.097 252 D HN 0.445 nan 8.370 nan 0.000 0.489 253 F N 3.798 123.807 119.950 0.099 0.000 2.434 253 F HA 0.159 4.687 4.527 0.001 0.000 0.358 253 F C -0.322 175.489 175.800 0.018 0.000 1.136 253 F CA -0.626 57.430 58.000 0.093 0.000 1.157 253 F CB 0.460 39.504 39.000 0.073 0.000 1.167 253 F HN -0.017 nan 8.300 nan 0.000 0.539 254 V N 8.150 127.887 119.914 -0.295 0.000 2.385 254 V HA 0.093 4.213 4.120 0.001 0.000 0.269 254 V C -0.197 175.675 176.094 -0.369 0.000 1.043 254 V CA -0.662 61.514 62.300 -0.207 0.000 0.906 254 V CB 0.655 32.442 31.823 -0.059 0.000 0.995 254 V HN 0.603 nan 8.190 nan 0.000 0.467 255 F N 4.367 124.144 119.950 -0.288 0.000 2.438 255 F HA 0.613 5.141 4.527 0.001 0.000 0.360 255 F C 0.983 176.774 175.800 -0.015 0.000 1.118 255 F CA -0.381 57.559 58.000 -0.098 0.000 1.164 255 F CB 0.616 39.690 39.000 0.122 0.000 1.131 255 F HN 0.554 nan 8.300 nan 0.000 0.527 256 G N 7.790 116.182 108.800 -0.679 0.000 2.333 256 G HA2 0.395 4.355 3.960 0.001 0.000 0.290 256 G HA3 0.395 4.355 3.960 0.001 0.000 0.290 256 G C -0.957 173.580 174.900 -0.605 0.000 1.150 256 G CA -0.492 44.259 45.100 -0.581 0.000 0.895 256 G HN 0.615 nan 8.290 nan 0.000 0.444 257 I N 2.111 122.467 120.570 -0.357 0.000 2.406 257 I HA 0.386 4.557 4.170 0.001 0.000 0.290 257 I C -0.385 175.407 176.117 -0.542 0.000 0.999 257 I CA -0.583 60.555 61.300 -0.270 0.000 1.124 257 I CB 2.058 40.066 38.000 0.014 0.000 1.289 257 I HN 0.261 nan 8.210 nan 0.000 0.441 258 S N 9.437 124.757 115.700 -0.634 0.000 2.328 258 S HA 0.339 4.810 4.470 0.001 0.000 0.204 258 S C -1.816 172.367 174.600 -0.695 0.000 1.475 258 S CA -0.959 56.865 58.200 -0.627 0.000 1.148 258 S CB 0.769 63.625 63.200 -0.573 0.000 1.077 258 S HN 0.538 nan 8.310 nan 0.000 0.479 259 P HA 0.112 nan 4.420 nan 0.000 0.245 259 P C 1.586 178.487 177.300 -0.665 0.000 1.206 259 P CA 0.184 62.404 63.100 -1.467 0.000 0.781 259 P CB -0.035 30.505 31.700 -1.933 0.000 0.994 260 G N 1.590 110.170 108.800 -0.365 0.000 2.505 260 G HA2 -0.325 3.635 3.960 0.001 0.000 0.220 260 G HA3 -0.325 3.635 3.960 0.001 0.000 0.220 260 G C 1.482 176.372 174.900 -0.017 0.000 1.145 260 G CA 0.659 45.723 45.100 -0.060 0.000 0.761 260 G HN 0.318 nan 8.290 nan 0.000 0.571 261 I N 1.147 121.686 120.570 -0.053 0.000 2.147 261 I HA -0.308 3.863 4.170 0.001 0.000 0.245 261 I C 1.684 177.836 176.117 0.058 0.000 1.059 261 I CA 2.714 64.021 61.300 0.012 0.000 1.320 261 I CB 0.083 38.088 38.000 0.008 0.000 1.021 261 I HN 0.472 nan 8.210 nan 0.000 0.415 262 D N -1.360 119.103 120.400 0.105 0.000 2.523 262 D HA 0.120 4.761 4.640 0.001 0.000 0.269 262 D C 0.498 176.880 176.300 0.136 0.000 1.374 262 D CA -0.404 53.669 54.000 0.122 0.000 0.820 262 D CB -0.872 39.996 40.800 0.113 0.000 1.211 262 D HN 0.315 nan 8.370 nan 0.000 0.502 263 I N 1.318 121.946 120.570 0.098 0.000 2.845 263 I HA 0.047 4.218 4.170 0.001 0.000 0.296 263 I C -0.178 175.805 176.117 -0.222 0.000 1.216 263 I CA 0.237 61.534 61.300 -0.005 0.000 1.438 263 I CB 0.316 38.154 38.000 -0.270 0.000 1.342 263 I HN -0.093 nan 8.210 nan 0.000 0.577 264 R N 6.023 126.419 120.500 -0.173 0.000 2.589 264 R HA 0.377 4.718 4.340 0.001 0.000 0.293 264 R C -0.464 175.688 176.300 -0.248 0.000 0.963 264 R CA -0.439 55.570 56.100 -0.151 0.000 0.905 264 R CB 1.271 31.585 30.300 0.023 0.000 1.144 264 R HN 0.552 nan 8.270 nan 0.000 0.459 265 F N -0.763 119.278 119.950 0.152 0.000 2.602 265 F HA 0.180 4.707 4.527 0.001 0.000 0.284 265 F C 0.458 176.317 175.800 0.099 0.000 1.111 265 F CA -0.008 58.073 58.000 0.135 0.000 1.405 265 F CB 0.488 39.551 39.000 0.104 0.000 1.121 265 F HN 0.316 nan 8.300 nan 0.000 0.603 266 D N 0.108 120.656 120.400 0.246 0.000 2.229 266 D HA 0.432 5.073 4.640 0.001 0.000 0.249 266 D C 0.875 177.242 176.300 0.111 0.000 1.027 266 D CA 0.733 54.825 54.000 0.154 0.000 0.923 266 D CB 1.389 42.261 40.800 0.121 0.000 1.174 266 D HN 0.266 nan 8.370 nan 0.000 0.443 267 G N 2.078 110.929 108.800 0.084 0.000 2.578 267 G HA2 -0.321 3.640 3.960 0.001 0.000 0.275 267 G HA3 -0.321 3.640 3.960 0.001 0.000 0.275 267 G C 0.641 175.583 174.900 0.070 0.000 1.271 267 G CA 0.295 45.434 45.100 0.065 0.000 0.941 267 G HN 0.514 nan 8.290 nan 0.000 0.564 268 D N 0.306 120.741 120.400 0.058 0.000 2.144 268 D HA 0.041 4.682 4.640 0.001 0.000 0.199 268 D C 2.796 179.139 176.300 0.070 0.000 0.984 268 D CA 2.175 56.209 54.000 0.057 0.000 0.834 268 D CB -0.722 40.104 40.800 0.043 0.000 0.955 268 D HN 0.806 nan 8.370 nan 0.000 0.465 269 A N 0.717 123.581 122.820 0.074 0.000 1.902 269 A HA -0.032 4.289 4.320 0.001 0.000 0.217 269 A C 2.381 180.032 177.584 0.113 0.000 1.181 269 A CA 2.045 54.133 52.037 0.085 0.000 0.623 269 A CB -0.988 18.057 19.000 0.074 0.000 0.818 269 A HN 0.310 nan 8.150 nan 0.000 0.443 270 G N -0.816 108.057 108.800 0.122 0.000 2.421 270 G HA2 -0.136 3.824 3.960 0.001 0.000 0.217 270 G HA3 -0.136 3.824 3.960 0.001 0.000 0.217 270 G C 1.454 176.474 174.900 0.201 0.000 1.143 270 G CA 1.217 46.413 45.100 0.159 0.000 0.784 270 G HN 0.537 nan 8.290 nan 0.000 0.541 271 E N 0.787 121.082 120.200 0.158 0.000 2.047 271 E HA -0.097 4.253 4.350 0.001 0.000 0.191 271 E C 2.277 178.978 176.600 0.169 0.000 0.987 271 E CA 1.447 57.946 56.400 0.165 0.000 0.799 271 E CB -0.321 29.439 29.700 0.100 0.000 0.752 271 E HN 0.581 nan 8.360 nan 0.000 0.449 272 E N 0.001 120.265 120.200 0.106 0.000 2.070 272 E HA -0.258 4.093 4.350 0.001 0.000 0.197 272 E C 1.374 178.032 176.600 0.096 0.000 1.004 272 E CA 1.782 58.202 56.400 0.033 0.000 0.805 272 E CB -0.170 29.563 29.700 0.054 0.000 0.744 272 E HN 0.214 nan 8.360 nan 0.000 0.451 273 D N -0.373 120.178 120.400 0.252 0.000 2.144 273 D HA -0.145 4.496 4.640 0.001 0.000 0.199 273 D C 1.573 178.113 176.300 0.399 0.000 0.984 273 D CA 0.753 54.985 54.000 0.385 0.000 0.834 273 D CB -0.364 40.649 40.800 0.355 0.000 0.955 273 D HN 0.248 nan 8.370 nan 0.000 0.465 274 F N 1.564 121.645 119.950 0.218 0.000 2.186 274 F HA -0.135 4.392 4.527 0.001 0.000 0.299 274 F C 1.823 177.728 175.800 0.175 0.000 1.090 274 F CA 0.990 59.122 58.000 0.220 0.000 1.307 274 F CB -0.034 39.079 39.000 0.189 0.000 1.019 274 F HN -0.135 nan 8.300 nan 0.000 0.489 275 N N -0.414 118.361 118.700 0.126 0.000 2.244 275 N HA -0.174 4.567 4.740 0.001 0.000 0.183 275 N C 1.766 177.200 175.510 -0.128 0.000 1.016 275 N CA 1.225 54.254 53.050 -0.035 0.000 0.866 275 N CB -0.722 37.731 38.487 -0.057 0.000 0.980 275 N HN 0.417 nan 8.380 nan 0.000 0.430 276 H N 0.639 119.695 119.070 -0.023 0.000 2.423 276 H HA 0.017 4.573 4.556 0.001 0.000 0.297 276 H C 2.171 177.486 175.328 -0.022 0.000 1.075 276 H CA 0.413 56.414 56.048 -0.079 0.000 1.342 276 H CB -0.120 29.513 29.762 -0.215 0.000 1.395 276 H HN 0.189 nan 8.280 nan 0.000 0.530 277 L N 0.281 121.599 121.223 0.158 0.000 2.056 277 L HA -0.159 4.182 4.340 0.001 0.000 0.207 277 L C 2.098 178.931 176.870 -0.062 0.000 1.078 277 L CA 0.716 55.616 54.840 0.100 0.000 0.749 277 L CB -0.123 41.874 42.059 -0.103 0.000 0.901 277 L HN 0.122 nan 8.230 nan 0.000 0.433 278 I N 0.140 120.590 120.570 -0.201 0.000 2.090 278 I HA -0.300 3.870 4.170 0.001 0.000 0.236 278 I C 2.819 178.839 176.117 -0.163 0.000 1.064 278 I CA 2.156 63.322 61.300 -0.223 0.000 1.324 278 I CB -1.814 36.080 38.000 -0.177 0.000 1.044 278 I HN 0.416 nan 8.210 nan 0.000 0.399 279 T N -0.218 114.290 114.554 -0.077 0.000 2.699 279 T HA -0.275 4.076 4.350 0.001 0.000 0.268 279 T C 1.974 176.662 174.700 -0.021 0.000 1.036 279 T CA 1.955 64.037 62.100 -0.029 0.000 1.147 279 T CB -0.276 68.589 68.868 -0.004 0.000 0.862 279 T HN 0.051 nan 8.240 nan 0.000 0.446 280 K N 2.189 122.580 120.400 -0.014 0.000 2.009 280 K HA 0.137 4.457 4.320 0.001 0.000 0.210 280 K C 2.510 179.082 176.600 -0.047 0.000 1.049 280 K CA 1.823 58.108 56.287 -0.004 0.000 0.929 280 K CB -1.267 31.268 32.500 0.059 0.000 0.714 280 K HN 0.485 nan 8.250 nan 0.000 0.440 281 A N 0.598 123.300 122.820 -0.197 0.000 1.902 281 A HA -0.164 4.157 4.320 0.001 0.000 0.217 281 A C 2.033 179.454 177.584 -0.270 0.000 1.181 281 A CA 1.851 53.592 52.037 -0.493 0.000 0.623 281 A CB -0.570 17.668 19.000 -1.269 0.000 0.818 281 A HN 0.534 nan 8.150 nan 0.000 0.443 282 E N 0.199 120.315 120.200 -0.140 0.000 2.058 282 E HA -0.188 4.162 4.350 0.001 0.000 0.194 282 E C 2.384 179.132 176.600 0.247 0.000 0.997 282 E CA 1.714 58.243 56.400 0.216 0.000 0.801 282 E CB -0.238 29.543 29.700 0.136 0.000 0.746 282 E HN 0.791 nan 8.360 nan 0.000 0.450 283 S N 0.710 116.489 115.700 0.132 0.000 2.419 283 S HA -0.119 4.352 4.470 0.001 0.000 0.233 283 S C 2.007 176.695 174.600 0.146 0.000 1.016 283 S CA 0.768 59.041 58.200 0.122 0.000 0.974 283 S CB -0.348 62.895 63.200 0.071 0.000 0.786 283 S HN 0.159 nan 8.310 nan 0.000 0.492 284 L N -0.808 120.526 121.223 0.186 0.000 2.131 284 L HA 0.097 4.438 4.340 0.001 0.000 0.206 284 L C 2.551 179.611 176.870 0.316 0.000 1.087 284 L CA 1.302 56.261 54.840 0.199 0.000 0.767 284 L CB -0.658 41.531 42.059 0.217 0.000 0.917 284 L HN 0.307 nan 8.230 nan 0.000 0.441 285 Y N 1.302 121.832 120.300 0.383 0.000 2.224 285 Y HA -0.283 4.268 4.550 0.001 0.000 0.289 285 Y C 2.112 178.132 175.900 0.200 0.000 1.146 285 Y CA 1.667 60.008 58.100 0.402 0.000 1.182 285 Y CB -0.076 38.694 38.460 0.516 0.000 0.983 285 Y HN 0.205 nan 8.280 nan 0.000 0.524 286 D N -0.127 120.448 120.400 0.292 0.000 2.263 286 D HA -0.166 4.475 4.640 0.001 0.000 0.208 286 D C 1.660 177.974 176.300 0.023 0.000 0.971 286 D CA 1.459 55.546 54.000 0.145 0.000 0.867 286 D CB -0.210 40.677 40.800 0.145 0.000 0.929 286 D HN 0.491 nan 8.370 nan 0.000 0.492 287 M N -1.498 118.104 119.600 0.003 0.000 2.502 287 M HA 0.202 4.683 4.480 0.001 0.000 0.243 287 M C 1.098 177.327 176.300 -0.120 0.000 1.130 287 M CA 0.476 55.734 55.300 -0.071 0.000 1.055 287 M CB 0.912 33.453 32.600 -0.099 0.000 1.457 287 M HN 0.062 nan 8.290 nan 0.000 0.488 288 G N 0.758 109.475 108.800 -0.139 0.000 2.134 288 G HA2 -0.166 3.795 3.960 0.001 0.000 0.209 288 G HA3 -0.166 3.795 3.960 0.001 0.000 0.209 288 G C -0.097 174.718 174.900 -0.142 0.000 0.993 288 G CA -0.491 44.494 45.100 -0.191 0.000 0.669 288 G HN 0.257 nan 8.290 nan 0.000 0.519 289 V N 1.337 121.215 119.914 -0.060 0.000 2.508 289 V HA 0.442 4.562 4.120 0.001 0.000 0.281 289 V C 1.274 177.411 176.094 0.071 0.000 1.041 289 V CA 0.012 62.313 62.300 0.002 0.000 1.016 289 V CB 1.320 33.146 31.823 0.004 0.000 0.984 289 V HN 0.318 nan 8.190 nan 0.000 0.478 290 R N 2.005 122.535 120.500 0.050 0.000 2.535 290 R HA 0.327 4.667 4.340 0.001 0.000 0.323 290 R C -0.134 176.291 176.300 0.207 0.000 0.979 290 R CA -0.045 56.183 56.100 0.212 0.000 1.120 290 R CB 1.067 31.451 30.300 0.140 0.000 1.306 290 R HN 0.601 nan 8.270 nan 0.000 0.540 291 S N 0.583 116.249 115.700 -0.056 0.000 2.538 291 S HA 0.699 5.169 4.470 0.001 0.000 0.288 291 S C -1.151 173.272 174.600 -0.296 0.000 1.108 291 S CA -0.449 57.765 58.200 0.024 0.000 0.971 291 S CB 1.544 64.813 63.200 0.116 0.000 1.041 291 S HN 0.020 nan 8.310 nan 0.000 0.483 292 F N 1.099 121.264 119.950 0.359 0.000 2.576 292 F HA 0.811 5.338 4.527 0.001 0.000 0.313 292 F C 0.143 176.077 175.800 0.223 0.000 1.078 292 F CA -0.790 57.410 58.000 0.333 0.000 0.921 292 F CB 1.847 41.105 39.000 0.431 0.000 1.232 292 F HN 0.647 nan 8.300 nan 0.000 0.459 293 A N 2.790 125.790 122.820 0.299 0.000 2.414 293 A HA 0.881 5.202 4.320 0.001 0.000 0.306 293 A C -1.310 176.330 177.584 0.092 0.000 1.054 293 A CA -0.587 51.572 52.037 0.203 0.000 0.724 293 A CB 1.092 20.237 19.000 0.241 0.000 1.267 293 A HN 0.719 nan 8.150 nan 0.000 0.418 294 I N 2.440 123.010 120.570 -0.000 0.000 2.382 294 I HA 0.269 4.440 4.170 0.001 0.000 0.286 294 I C -1.047 174.888 176.117 -0.303 0.000 1.002 294 I CA -0.276 60.855 61.300 -0.280 0.000 1.135 294 I CB 1.115 38.834 38.000 -0.467 0.000 1.288 294 I HN 0.664 nan 8.210 nan 0.000 0.448 295 Y N 4.334 124.261 120.300 -0.620 0.000 2.304 295 Y HA 0.100 4.651 4.550 0.001 0.000 0.328 295 Y C 0.111 175.587 175.900 -0.706 0.000 1.123 295 Y CA -0.610 57.183 58.100 -0.512 0.000 1.218 295 Y CB 1.311 39.580 38.460 -0.317 0.000 1.207 295 Y HN 0.664 nan 8.280 nan 0.000 0.495 296 W N 1.386 122.683 121.300 -0.004 0.000 2.846 296 W HA 0.040 4.701 4.660 0.001 0.000 0.391 296 W C 1.448 177.927 176.519 -0.068 0.000 1.011 296 W CA -0.395 56.887 57.345 -0.104 0.000 1.832 296 W CB 0.430 29.815 29.460 -0.125 0.000 1.151 296 W HN 0.629 nan 8.180 nan 0.000 0.582 297 D N 0.802 121.259 120.400 0.095 0.000 2.144 297 D HA -0.188 4.453 4.640 0.001 0.000 0.200 297 D C 0.901 177.253 176.300 0.087 0.000 0.978 297 D CA 1.634 55.681 54.000 0.078 0.000 0.833 297 D CB -0.420 40.300 40.800 -0.134 0.000 0.961 297 D HN 0.256 nan 8.370 nan 0.000 0.470 298 D N 0.143 120.581 120.400 0.064 0.000 2.463 298 D HA 0.153 4.793 4.640 0.001 0.000 0.224 298 D C 0.561 176.898 176.300 0.061 0.000 1.174 298 D CA -0.675 53.356 54.000 0.052 0.000 0.829 298 D CB -0.443 40.378 40.800 0.035 0.000 0.993 298 D HN 0.304 nan 8.370 nan 0.000 0.497 299 I N 0.835 121.467 120.570 0.103 0.000 2.472 299 I HA 0.009 4.180 4.170 0.001 0.000 0.290 299 I C 1.169 177.363 176.117 0.128 0.000 1.016 299 I CA -0.433 60.956 61.300 0.148 0.000 1.348 299 I CB 1.501 39.654 38.000 0.256 0.000 1.417 299 I HN -0.158 nan 8.210 nan 0.000 0.521 300 Q N 3.405 123.279 119.800 0.124 0.000 2.062 300 Q HA -0.081 4.260 4.340 0.001 0.000 0.196 300 Q C 0.277 176.352 176.000 0.125 0.000 0.967 300 Q CA 0.908 56.768 55.803 0.095 0.000 0.832 300 Q CB -0.207 28.578 28.738 0.078 0.000 0.899 300 Q HN 0.621 nan 8.270 nan 0.000 0.442 301 D N 2.532 123.052 120.400 0.200 0.000 2.542 301 D HA -0.068 4.573 4.640 0.001 0.000 0.242 301 D C 0.031 176.474 176.300 0.238 0.000 1.207 301 D CA 0.246 54.385 54.000 0.231 0.000 1.172 301 D CB -0.157 40.875 40.800 0.386 0.000 1.126 301 D HN 0.009 nan 8.370 nan 0.000 0.500 302 K N 1.452 121.917 120.400 0.107 0.000 3.245 302 K HA 0.029 4.350 4.320 0.001 0.000 0.285 302 K C -0.505 176.071 176.600 -0.039 0.000 1.156 302 K CA -0.120 56.191 56.287 0.041 0.000 1.162 302 K CB -0.242 32.233 32.500 -0.041 0.000 1.365 302 K HN -0.015 nan 8.250 nan 0.000 0.316 303 S N 1.492 117.010 115.700 -0.303 0.000 2.543 303 S HA 0.210 4.680 4.470 0.001 0.000 0.299 303 S C 1.022 175.135 174.600 -0.812 0.000 1.125 303 S CA -0.455 57.479 58.200 -0.443 0.000 1.098 303 S CB 1.406 64.357 63.200 -0.414 0.000 1.063 303 S HN 0.519 nan 8.310 nan 0.000 0.493 304 A N 3.462 125.918 122.820 -0.607 0.000 1.903 304 A HA -0.150 4.170 4.320 0.001 0.000 0.219 304 A C 2.298 179.572 177.584 -0.517 0.000 1.191 304 A CA 2.063 53.621 52.037 -0.798 0.000 0.638 304 A CB -0.988 17.467 19.000 -0.908 0.000 0.823 304 A HN 0.843 nan 8.150 nan 0.000 0.451 305 A N -0.652 121.916 122.820 -0.421 0.000 1.930 305 A HA -0.129 4.192 4.320 0.001 0.000 0.217 305 A C 2.109 179.483 177.584 -0.350 0.000 1.175 305 A CA 1.690 53.530 52.037 -0.328 0.000 0.627 305 A CB -0.321 18.533 19.000 -0.243 0.000 0.815 305 A HN 0.453 nan 8.150 nan 0.000 0.443 306 K N -0.387 119.724 120.400 -0.483 0.000 2.057 306 K HA -0.124 4.197 4.320 0.001 0.000 0.206 306 K C 1.789 178.050 176.600 -0.565 0.000 1.050 306 K CA 1.623 57.539 56.287 -0.619 0.000 0.935 306 K CB -0.682 31.133 32.500 -1.140 0.000 0.715 306 K HN 0.792 nan 8.250 nan 0.000 0.439 307 H N 0.507 119.080 119.070 -0.829 0.000 2.290 307 H HA -0.096 4.460 4.556 0.001 0.000 0.298 307 H C 2.096 177.163 175.328 -0.435 0.000 1.087 307 H CA 1.000 56.404 56.048 -1.073 0.000 1.291 307 H CB 0.026 29.126 29.762 -1.104 0.000 1.369 307 H HN 0.270 nan 8.280 nan 0.000 0.492 308 A N 0.850 123.513 122.820 -0.260 0.000 2.014 308 A HA -0.175 4.145 4.320 0.001 0.000 0.218 308 A C 2.271 179.784 177.584 -0.119 0.000 1.163 308 A CA 1.420 53.263 52.037 -0.322 0.000 0.652 308 A CB -0.247 18.381 19.000 -0.619 0.000 0.808 308 A HN 0.346 nan 8.150 nan 0.000 0.449 309 Q N 0.029 119.770 119.800 -0.099 0.000 2.123 309 Q HA -0.056 4.285 4.340 0.001 0.000 0.199 309 Q C 1.692 177.748 176.000 0.093 0.000 0.966 309 Q CA 2.082 57.867 55.803 -0.030 0.000 0.845 309 Q CB -0.624 28.075 28.738 -0.066 0.000 0.907 309 Q HN 0.275 nan 8.270 nan 0.000 0.439 310 V N 0.726 120.769 119.914 0.214 0.000 2.261 310 V HA -0.269 3.851 4.120 0.001 0.000 0.246 310 V C 2.373 178.781 176.094 0.524 0.000 1.047 310 V CA 1.873 64.453 62.300 0.467 0.000 1.015 310 V CB -0.673 31.566 31.823 0.694 0.000 0.642 310 V HN 0.405 nan 8.190 nan 0.000 0.446 311 L N 0.341 121.838 121.223 0.458 0.000 2.013 311 L HA -0.249 4.092 4.340 0.001 0.000 0.212 311 L C 2.461 179.542 176.870 0.351 0.000 1.073 311 L CA 1.911 56.996 54.840 0.408 0.000 0.753 311 L CB -0.881 41.384 42.059 0.343 0.000 0.890 311 L HN 0.401 nan 8.230 nan 0.000 0.432 312 N N -0.469 118.361 118.700 0.216 0.000 2.188 312 N HA -0.148 4.593 4.740 0.001 0.000 0.184 312 N C 1.911 177.532 175.510 0.185 0.000 1.018 312 N CA 0.937 54.080 53.050 0.155 0.000 0.858 312 N CB -0.301 38.218 38.487 0.055 0.000 0.989 312 N HN 0.226 nan 8.380 nan 0.000 0.426 313 R N -0.378 120.240 120.500 0.196 0.000 2.153 313 R HA 0.025 4.366 4.340 0.001 0.000 0.218 313 R C 1.745 178.330 176.300 0.476 0.000 1.072 313 R CA 0.296 56.484 56.100 0.146 0.000 0.990 313 R CB -0.249 29.919 30.300 -0.219 0.000 0.889 313 R HN 0.203 nan 8.270 nan 0.000 0.452 314 F N 1.419 121.661 119.950 0.486 0.000 2.098 314 F HA -0.109 4.418 4.527 0.001 0.000 0.294 314 F C 2.107 178.088 175.800 0.301 0.000 1.107 314 F CA 1.489 59.744 58.000 0.425 0.000 1.234 314 F CB -0.523 38.660 39.000 0.305 0.000 1.002 314 F HN 0.032 nan 8.300 nan 0.000 0.472 315 N N -0.051 118.900 118.700 0.419 0.000 2.069 315 N HA -0.263 4.478 4.740 0.001 0.000 0.196 315 N C 1.891 177.465 175.510 0.106 0.000 1.024 315 N CA 1.734 54.933 53.050 0.248 0.000 0.869 315 N CB -0.119 38.510 38.487 0.236 0.000 1.035 315 N HN 0.377 nan 8.380 nan 0.000 0.434 316 E N 0.666 120.934 120.200 0.113 0.000 2.016 316 E HA -0.120 4.230 4.350 0.001 0.000 0.190 316 E C 1.741 178.356 176.600 0.025 0.000 0.985 316 E CA 1.008 57.444 56.400 0.059 0.000 0.802 316 E CB -0.135 29.601 29.700 0.060 0.000 0.762 316 E HN 0.473 nan 8.360 nan 0.000 0.448 317 E N -0.872 119.372 120.200 0.073 0.000 2.274 317 E HA -0.100 4.250 4.350 0.001 0.000 0.194 317 E C 1.474 178.062 176.600 -0.021 0.000 0.996 317 E CA 0.488 56.926 56.400 0.064 0.000 0.840 317 E CB 0.122 29.942 29.700 0.199 0.000 0.772 317 E HN 0.107 nan 8.360 nan 0.000 0.491 318 F N -0.391 119.344 119.950 -0.358 0.000 2.534 318 F HA 0.022 4.550 4.527 0.001 0.000 0.274 318 F C 1.952 177.513 175.800 -0.399 0.000 0.917 318 F CA 0.216 57.879 58.000 -0.562 0.000 1.145 318 F CB -0.315 37.970 39.000 -1.192 0.000 1.145 318 F HN -0.290 nan 8.300 nan 0.000 0.746 319 V N 1.463 121.187 119.914 -0.316 0.000 2.287 319 V HA -0.315 3.806 4.120 0.001 0.000 0.248 319 V C 2.203 178.211 176.094 -0.143 0.000 1.053 319 V CA 2.399 64.606 62.300 -0.157 0.000 1.027 319 V CB -0.761 31.141 31.823 0.132 0.000 0.646 319 V HN 0.275 nan 8.190 nan 0.000 0.447 320 K N 0.059 120.404 120.400 -0.091 0.000 2.103 320 K HA -0.011 4.309 4.320 0.001 0.000 0.204 320 K C 2.214 178.746 176.600 -0.113 0.000 1.052 320 K CA 1.299 57.549 56.287 -0.061 0.000 0.945 320 K CB -0.321 32.169 32.500 -0.017 0.000 0.722 320 K HN 0.474 nan 8.250 nan 0.000 0.443 321 A N 1.343 124.056 122.820 -0.178 0.000 2.016 321 A HA -0.080 4.241 4.320 0.001 0.000 0.217 321 A C 1.761 179.193 177.584 -0.252 0.000 1.162 321 A CA 1.105 53.033 52.037 -0.183 0.000 0.662 321 A CB 0.003 18.901 19.000 -0.170 0.000 0.812 321 A HN 0.018 nan 8.150 nan 0.000 0.450 322 K N -1.515 118.644 120.400 -0.400 0.000 2.076 322 K HA 0.084 4.405 4.320 0.001 0.000 0.204 322 K C 1.645 178.146 176.600 -0.166 0.000 1.051 322 K CA 1.066 57.096 56.287 -0.428 0.000 0.949 322 K CB -0.551 31.459 32.500 -0.816 0.000 0.726 322 K HN 0.726 nan 8.250 nan 0.000 0.443 323 G N 2.148 110.881 108.800 -0.111 0.000 2.284 323 G HA2 -0.270 3.691 3.960 0.001 0.000 0.247 323 G HA3 -0.270 3.691 3.960 0.001 0.000 0.247 323 G C 0.363 175.286 174.900 0.037 0.000 1.012 323 G CA 0.790 45.877 45.100 -0.022 0.000 0.618 323 G HN 0.471 nan 8.290 nan 0.000 0.521 324 D N 0.267 120.716 120.400 0.082 0.000 2.501 324 D HA 0.343 4.984 4.640 0.001 0.000 0.224 324 D C 0.452 176.865 176.300 0.190 0.000 1.202 324 D CA -0.055 54.023 54.000 0.130 0.000 0.829 324 D CB 0.124 41.005 40.800 0.136 0.000 1.023 324 D HN 0.333 nan 8.370 nan 0.000 0.499 325 V N 1.372 121.399 119.914 0.188 0.000 2.432 325 V HA 0.157 4.277 4.120 0.001 0.000 0.275 325 V C 0.886 177.127 176.094 0.246 0.000 1.043 325 V CA -0.803 61.665 62.300 0.280 0.000 0.925 325 V CB 1.369 33.359 31.823 0.278 0.000 0.985 325 V HN -0.018 nan 8.190 nan 0.000 0.466 326 K N 4.563 125.127 120.400 0.274 0.000 2.286 326 K HA 0.222 4.542 4.320 0.001 0.000 0.256 326 K C -2.280 174.488 176.600 0.280 0.000 0.999 326 K CA -1.230 55.204 56.287 0.244 0.000 0.908 326 K CB 0.013 32.653 32.500 0.234 0.000 0.981 326 K HN 0.403 nan 8.250 nan 0.000 0.500 327 P HA -0.088 nan 4.420 nan 0.000 0.266 327 P C -0.237 177.242 177.300 0.299 0.000 1.193 327 P CA 0.180 63.430 63.100 0.250 0.000 0.770 327 P CB 0.406 32.240 31.700 0.224 0.000 0.836 328 L N 3.516 124.922 121.223 0.304 0.000 2.426 328 L HA 0.240 4.581 4.340 0.001 0.000 0.271 328 L C 0.012 177.028 176.870 0.243 0.000 1.169 328 L CA -0.007 55.038 54.840 0.342 0.000 0.836 328 L CB 0.151 42.435 42.059 0.375 0.000 1.112 328 L HN 0.304 nan 8.230 nan 0.000 0.465 329 I N 2.995 123.695 120.570 0.217 0.000 2.530 329 I HA 0.357 4.527 4.170 0.001 0.000 0.297 329 I C -0.035 176.150 176.117 0.114 0.000 1.011 329 I CA -0.157 61.200 61.300 0.094 0.000 1.107 329 I CB 2.116 40.135 38.000 0.031 0.000 1.285 329 I HN 0.479 nan 8.210 nan 0.000 0.436 330 T N 4.578 119.185 114.554 0.088 0.000 2.903 330 T HA 0.641 4.991 4.350 0.001 0.000 0.299 330 T C -1.409 173.301 174.700 0.016 0.000 1.093 330 T CA -0.458 61.718 62.100 0.126 0.000 1.002 330 T CB 1.591 70.682 68.868 0.373 0.000 1.127 330 T HN 0.202 nan 8.240 nan 0.000 0.488 331 V N 6.480 126.343 119.914 -0.086 0.000 2.334 331 V HA 0.480 4.600 4.120 0.001 0.000 0.281 331 V C -2.128 173.976 176.094 0.016 0.000 1.016 331 V CA -1.791 60.395 62.300 -0.191 0.000 0.832 331 V CB 1.306 32.764 31.823 -0.609 0.000 0.999 331 V HN 0.726 nan 8.190 nan 0.000 0.439 332 P HA 0.211 nan 4.420 nan 0.000 0.274 332 P C 0.884 178.236 177.300 0.086 0.000 1.237 332 P CA -0.123 62.926 63.100 -0.085 0.000 0.793 332 P CB 0.897 32.310 31.700 -0.478 0.000 0.977 333 T N -0.393 114.166 114.554 0.009 0.000 2.759 333 T HA -0.140 4.211 4.350 0.001 0.000 0.269 333 T C 0.460 174.998 174.700 -0.269 0.000 1.042 333 T CA 1.489 63.487 62.100 -0.171 0.000 1.140 333 T CB -0.413 68.158 68.868 -0.496 0.000 0.864 333 T HN 0.522 nan 8.240 nan 0.000 0.455 334 E N 1.105 121.099 120.200 -0.345 0.000 2.089 334 E HA 0.260 4.611 4.350 0.001 0.000 0.284 334 E C -0.388 176.168 176.600 -0.073 0.000 1.023 334 E CA -0.338 55.908 56.400 -0.256 0.000 0.819 334 E CB 0.502 30.128 29.700 -0.122 0.000 1.076 334 E HN 0.734 nan 8.360 nan 0.000 0.396 335 Y N 0.668 120.934 120.300 -0.058 0.000 2.610 335 Y HA 0.251 4.801 4.550 0.001 0.000 0.254 335 Y C -0.385 175.571 175.900 0.094 0.000 1.110 335 Y CA -0.946 57.151 58.100 -0.004 0.000 1.238 335 Y CB 0.316 38.684 38.460 -0.153 0.000 1.322 335 Y HN 0.313 nan 8.280 nan 0.000 0.547 336 D N -1.182 119.218 120.400 0.000 0.000 2.419 336 D HA 0.303 4.944 4.640 0.001 0.000 0.234 336 D C 0.561 176.975 176.300 0.190 0.000 1.014 336 D CA -0.587 53.510 54.000 0.162 0.000 0.919 336 D CB 2.121 42.922 40.800 0.002 0.000 1.366 336 D HN -0.062 nan 8.370 nan 0.000 0.490 337 T N 0.811 115.549 114.554 0.306 0.000 2.737 337 T HA -0.103 4.247 4.350 0.001 0.000 0.269 337 T C 1.943 176.692 174.700 0.082 0.000 1.040 337 T CA 1.570 63.796 62.100 0.210 0.000 1.142 337 T CB -0.681 68.332 68.868 0.242 0.000 0.861 337 T HN 0.695 nan 8.240 nan 0.000 0.456 338 G N 1.002 109.830 108.800 0.047 0.000 2.442 338 G HA2 -0.053 3.907 3.960 0.001 0.000 0.219 338 G HA3 -0.053 3.907 3.960 0.001 0.000 0.219 338 G C 1.763 176.634 174.900 -0.048 0.000 1.141 338 G CA 0.856 45.953 45.100 -0.005 0.000 0.763 338 G HN 0.614 nan 8.290 nan 0.000 0.554 339 A N -0.005 122.760 122.820 -0.092 0.000 2.016 339 A HA 0.282 4.603 4.320 0.001 0.000 0.217 339 A C 2.359 179.894 177.584 -0.081 0.000 1.162 339 A CA 1.351 53.303 52.037 -0.142 0.000 0.662 339 A CB -0.165 18.668 19.000 -0.279 0.000 0.812 339 A HN 0.393 nan 8.150 nan 0.000 0.450 340 M N -1.179 118.407 119.600 -0.022 0.000 2.466 340 M HA 0.123 4.604 4.480 0.001 0.000 0.265 340 M C -0.356 175.950 176.300 0.010 0.000 1.122 340 M CA 0.639 55.953 55.300 0.023 0.000 1.157 340 M CB 0.556 33.202 32.600 0.077 0.000 1.352 340 M HN 0.051 nan 8.290 nan 0.000 0.464 341 V N -0.463 119.452 119.914 0.002 0.000 2.735 341 V HA 0.466 4.587 4.120 0.001 0.000 0.310 341 V C -0.772 175.315 176.094 -0.011 0.000 1.061 341 V CA -0.739 61.557 62.300 -0.007 0.000 0.913 341 V CB 1.989 33.812 31.823 -0.001 0.000 1.005 341 V HN 0.123 nan 8.190 nan 0.000 0.428 342 S N 3.883 119.573 115.700 -0.017 0.000 2.647 342 S HA 0.466 4.936 4.470 0.001 0.000 0.300 342 S C -0.101 174.489 174.600 -0.017 0.000 1.129 342 S CA -0.557 57.633 58.200 -0.017 0.000 1.029 342 S CB 0.405 63.593 63.200 -0.021 0.000 1.007 342 S HN 0.845 nan 8.310 nan 0.000 0.484 343 N N 3.225 121.918 118.700 -0.012 0.000 2.714 343 N HA -0.187 4.553 4.740 0.001 0.000 0.253 343 N C 0.924 176.425 175.510 -0.015 0.000 1.024 343 N CA 1.487 54.530 53.050 -0.012 0.000 0.726 343 N CB -1.562 36.917 38.487 -0.013 0.000 0.908 343 N HN 1.539 nan 8.380 nan 0.000 0.542 344 G N -1.606 107.186 108.800 -0.014 0.000 2.212 344 G HA2 -0.344 3.616 3.960 0.001 0.000 0.266 344 G HA3 -0.344 3.616 3.960 0.001 0.000 0.266 344 G C -0.111 174.771 174.900 -0.030 0.000 0.978 344 G CA 0.802 45.889 45.100 -0.020 0.000 0.632 344 G HN 0.499 nan 8.290 nan 0.000 0.537 345 Q N 0.460 120.242 119.800 -0.031 0.000 2.345 345 Q HA 0.476 4.817 4.340 0.001 0.000 0.268 345 Q C -2.535 173.439 176.000 -0.043 0.000 1.054 345 Q CA -1.966 53.813 55.803 -0.040 0.000 0.835 345 Q CB 2.533 31.248 28.738 -0.037 0.000 1.339 345 Q HN 0.252 nan 8.270 nan 0.000 0.447 346 P HA 0.081 nan 4.420 nan 0.000 0.268 346 P C -0.274 177.003 177.300 -0.039 0.000 1.205 346 P CA 0.074 63.140 63.100 -0.057 0.000 0.771 346 P CB 0.901 32.541 31.700 -0.099 0.000 0.858 347 R N 1.564 122.053 120.500 -0.019 0.000 2.801 347 R HA 0.257 4.597 4.340 0.001 0.000 0.273 347 R C 1.834 178.133 176.300 -0.001 0.000 1.080 347 R CA -0.127 55.967 56.100 -0.009 0.000 1.197 347 R CB -0.141 30.159 30.300 0.000 0.000 1.109 347 R HN 0.470 nan 8.270 nan 0.000 0.535 348 A N 1.192 124.013 122.820 0.001 0.000 1.892 348 A HA -0.272 4.048 4.320 0.001 0.000 0.218 348 A C 2.046 179.632 177.584 0.004 0.000 1.188 348 A CA 1.809 53.840 52.037 -0.010 0.000 0.631 348 A CB -0.910 18.083 19.000 -0.012 0.000 0.822 348 A HN 0.875 nan 8.150 nan 0.000 0.447 349 Y N 0.832 121.089 120.300 -0.072 0.000 2.097 349 Y HA -0.220 4.330 4.550 0.001 0.000 0.282 349 Y C 2.759 178.644 175.900 -0.025 0.000 1.152 349 Y CA 2.592 60.649 58.100 -0.070 0.000 1.136 349 Y CB -0.692 37.716 38.460 -0.088 0.000 0.975 349 Y HN 0.302 nan 8.280 nan 0.000 0.498 350 T N 0.991 115.642 114.554 0.161 0.000 2.746 350 T HA -0.217 4.134 4.350 0.001 0.000 0.267 350 T C 1.945 176.583 174.700 -0.103 0.000 1.039 350 T CA 1.671 63.817 62.100 0.078 0.000 1.142 350 T CB -0.355 68.566 68.868 0.088 0.000 0.866 350 T HN 0.358 nan 8.240 nan 0.000 0.444 351 R N 0.559 120.994 120.500 -0.108 0.000 2.081 351 R HA -0.038 4.302 4.340 0.001 0.000 0.235 351 R C 2.340 178.545 176.300 -0.158 0.000 1.131 351 R CA 1.417 57.429 56.100 -0.146 0.000 0.960 351 R CB -0.423 29.814 30.300 -0.105 0.000 0.856 351 R HN 0.391 nan 8.270 nan 0.000 0.436 352 I N -0.003 120.471 120.570 -0.161 0.000 2.252 352 I HA -0.245 3.926 4.170 0.001 0.000 0.245 352 I C 2.170 178.168 176.117 -0.199 0.000 1.102 352 I CA 1.092 62.279 61.300 -0.187 0.000 1.385 352 I CB -0.302 37.569 38.000 -0.215 0.000 1.064 352 I HN 0.161 nan 8.210 nan 0.000 0.414 353 F N 1.615 121.331 119.950 -0.390 0.000 2.102 353 F HA -0.243 4.285 4.527 0.001 0.000 0.298 353 F C 2.525 178.249 175.800 -0.127 0.000 1.105 353 F CA 1.599 59.417 58.000 -0.303 0.000 1.239 353 F CB -0.223 38.560 39.000 -0.361 0.000 0.991 353 F HN 0.001 nan 8.300 nan 0.000 0.474 354 A N -0.596 122.181 122.820 -0.070 0.000 1.972 354 A HA -0.227 4.094 4.320 0.001 0.000 0.219 354 A C 2.220 179.704 177.584 -0.166 0.000 1.169 354 A CA 1.837 53.684 52.037 -0.317 0.000 0.635 354 A CB -0.779 17.748 19.000 -0.788 0.000 0.810 354 A HN 0.508 nan 8.150 nan 0.000 0.446 355 E N -0.822 119.276 120.200 -0.169 0.000 2.299 355 E HA -0.070 4.281 4.350 0.001 0.000 0.193 355 E C 1.426 177.948 176.600 -0.130 0.000 0.998 355 E CA 1.385 57.705 56.400 -0.134 0.000 0.851 355 E CB 0.133 29.755 29.700 -0.130 0.000 0.795 355 E HN 0.604 nan 8.360 nan 0.000 0.492 356 T N -0.136 114.309 114.554 -0.183 0.000 3.021 356 T HA 0.073 4.424 4.350 0.001 0.000 0.245 356 T C 0.838 175.419 174.700 -0.199 0.000 1.028 356 T CA -0.064 61.919 62.100 -0.196 0.000 1.139 356 T CB 0.275 68.991 68.868 -0.252 0.000 0.884 356 T HN -0.061 nan 8.240 nan 0.000 0.457 357 V N 3.796 123.534 119.914 -0.293 0.000 2.557 357 V HA 0.037 4.158 4.120 0.001 0.000 0.301 357 V C -0.212 175.849 176.094 -0.056 0.000 1.026 357 V CA -0.288 61.866 62.300 -0.243 0.000 1.137 357 V CB 0.012 31.605 31.823 -0.383 0.000 0.917 357 V HN 0.358 nan 8.190 nan 0.000 0.484 358 D N 8.551 128.945 120.400 -0.010 0.000 2.548 358 D HA 0.025 4.665 4.640 0.001 0.000 0.231 358 D C -1.513 174.825 176.300 0.064 0.000 1.142 358 D CA -0.858 53.163 54.000 0.036 0.000 0.866 358 D CB 1.125 41.966 40.800 0.067 0.000 1.190 358 D HN 0.444 nan 8.370 nan 0.000 0.469 359 P HA -0.090 nan 4.420 nan 0.000 0.230 359 P C 1.050 178.406 177.300 0.094 0.000 1.158 359 P CA 0.794 63.943 63.100 0.081 0.000 0.769 359 P CB 0.169 31.908 31.700 0.064 0.000 0.807 360 S N -1.555 114.202 115.700 0.096 0.000 2.527 360 S HA 0.051 4.522 4.470 0.001 0.000 0.222 360 S C 0.773 175.453 174.600 0.134 0.000 0.985 360 S CA -0.015 58.251 58.200 0.111 0.000 0.921 360 S CB -0.945 62.320 63.200 0.107 0.000 0.772 360 S HN 0.018 nan 8.310 nan 0.000 0.529 361 I N 2.826 123.477 120.570 0.134 0.000 2.395 361 I HA 0.216 4.387 4.170 0.001 0.000 0.289 361 I C 0.191 176.378 176.117 0.117 0.000 1.023 361 I CA -0.429 60.960 61.300 0.149 0.000 1.350 361 I CB 0.813 38.912 38.000 0.165 0.000 1.409 361 I HN 0.126 nan 8.210 nan 0.000 0.507 362 E N 5.710 125.968 120.200 0.097 0.000 2.344 362 E HA 0.197 4.548 4.350 0.001 0.000 0.270 362 E C -0.823 175.759 176.600 -0.029 0.000 1.021 362 E CA -0.110 56.295 56.400 0.009 0.000 0.887 362 E CB 1.679 31.319 29.700 -0.100 0.000 0.997 362 E HN 0.229 nan 8.360 nan 0.000 0.429 363 V N 5.241 125.116 119.914 -0.065 0.000 2.378 363 V HA 0.268 4.389 4.120 0.001 0.000 0.288 363 V C 0.301 176.353 176.094 -0.071 0.000 1.016 363 V CA -0.566 61.675 62.300 -0.099 0.000 0.840 363 V CB 1.211 32.837 31.823 -0.328 0.000 0.994 363 V HN 0.571 nan 8.190 nan 0.000 0.431 364 M N 4.856 124.436 119.600 -0.034 0.000 2.249 364 M HA 0.513 4.993 4.480 0.001 0.000 0.351 364 M C -0.542 175.896 176.300 0.230 0.000 1.180 364 M CA -0.031 55.313 55.300 0.075 0.000 1.127 364 M CB 1.179 33.791 32.600 0.021 0.000 1.546 364 M HN 0.883 nan 8.290 nan 0.000 0.461 365 W N 1.651 122.974 121.300 0.039 0.000 3.075 365 W HA 0.509 5.170 4.660 0.001 0.000 0.334 365 W C -0.265 176.359 176.519 0.176 0.000 1.243 365 W CA -0.632 56.768 57.345 0.093 0.000 1.170 365 W CB 0.922 30.436 29.460 0.090 0.000 1.452 365 W HN 0.689 nan 8.180 nan 0.000 0.572 366 T N 0.483 114.879 114.554 -0.263 0.000 3.105 366 T HA 0.530 4.881 4.350 0.001 0.000 0.253 366 T C 0.771 175.257 174.700 -0.358 0.000 1.047 366 T CA 0.550 62.519 62.100 -0.217 0.000 0.944 366 T CB -0.388 68.460 68.868 -0.033 0.000 1.016 366 T HN 1.992 nan 8.240 nan 0.000 0.544 367 G N 2.037 110.207 108.800 -1.050 0.000 2.582 367 G HA2 -0.073 3.887 3.960 0.001 0.000 0.222 367 G HA3 -0.073 3.887 3.960 0.001 0.000 0.222 367 G C -2.402 172.569 174.900 0.117 0.000 1.311 367 G CA -0.389 44.472 45.100 -0.400 0.000 0.915 367 G HN 0.045 nan 8.290 nan 0.000 0.528 368 P HA 0.104 nan 4.420 nan 0.000 0.217 368 P C 1.200 178.580 177.300 0.133 0.000 1.148 368 P CA 2.497 65.719 63.100 0.203 0.000 0.828 368 P CB -0.079 31.720 31.700 0.165 0.000 0.783 369 G N -2.540 106.321 108.800 0.102 0.000 2.730 369 G HA2 0.360 4.320 3.960 0.001 0.000 0.289 369 G HA3 0.360 4.320 3.960 0.001 0.000 0.289 369 G C 0.658 175.590 174.900 0.053 0.000 1.341 369 G CA -0.454 44.687 45.100 0.068 0.000 0.932 369 G HN -0.189 nan 8.290 nan 0.000 0.481 370 V N -0.689 119.263 119.914 0.064 0.000 2.307 370 V HA -0.008 4.113 4.120 0.001 0.000 0.245 370 V C 0.842 176.967 176.094 0.052 0.000 1.045 370 V CA 1.197 63.551 62.300 0.091 0.000 1.024 370 V CB -0.232 31.661 31.823 0.117 0.000 0.651 370 V HN 0.321 nan 8.190 nan 0.000 0.449 371 V N 1.017 120.952 119.914 0.036 0.000 2.419 371 V HA 0.550 4.670 4.120 0.001 0.000 0.287 371 V C -0.302 175.706 176.094 -0.144 0.000 1.017 371 V CA -0.207 61.990 62.300 -0.172 0.000 0.844 371 V CB 1.389 32.969 31.823 -0.405 0.000 1.011 371 V HN 0.547 nan 8.190 nan 0.000 0.429 372 T N 0.151 114.619 114.554 -0.143 0.000 2.883 372 T HA 0.416 4.766 4.350 0.001 0.000 0.296 372 T C 0.704 175.436 174.700 0.055 0.000 1.117 372 T CA -0.832 61.260 62.100 -0.013 0.000 1.006 372 T CB 1.788 70.711 68.868 0.092 0.000 1.191 372 T HN 0.225 nan 8.240 nan 0.000 0.508 373 N N 0.823 119.577 118.700 0.090 0.000 2.104 373 N HA -0.019 4.722 4.740 0.001 0.000 0.190 373 N C 0.293 175.951 175.510 0.246 0.000 1.024 373 N CA 1.254 54.382 53.050 0.131 0.000 0.853 373 N CB -0.075 38.462 38.487 0.083 0.000 1.008 373 N HN 0.715 nan 8.380 nan 0.000 0.424 374 E N -0.829 119.523 120.200 0.252 0.000 2.408 374 E HA 0.450 4.801 4.350 0.001 0.000 0.275 374 E C -0.834 175.862 176.600 0.160 0.000 0.935 374 E CA -0.538 55.957 56.400 0.157 0.000 0.775 374 E CB 2.473 32.206 29.700 0.055 0.000 1.277 374 E HN -0.082 nan 8.360 nan 0.000 0.455 375 I N 2.773 123.329 120.570 -0.023 0.000 2.405 375 I HA 0.289 4.459 4.170 0.001 0.000 0.280 375 I C -2.448 173.696 176.117 0.044 0.000 1.027 375 I CA -2.097 59.221 61.300 0.031 0.000 1.161 375 I CB 1.069 39.042 38.000 -0.045 0.000 1.300 375 I HN 0.089 nan 8.210 nan 0.000 0.463 376 P HA 0.115 nan 4.420 nan 0.000 0.274 376 P C 0.676 178.052 177.300 0.127 0.000 1.246 376 P CA -0.565 62.585 63.100 0.083 0.000 0.795 376 P CB 1.154 32.899 31.700 0.075 0.000 1.006 377 L N 2.051 123.349 121.223 0.125 0.000 2.079 377 L HA -0.211 4.130 4.340 0.001 0.000 0.210 377 L C 2.185 179.121 176.870 0.109 0.000 1.081 377 L CA 2.465 57.408 54.840 0.172 0.000 0.752 377 L CB -1.548 40.619 42.059 0.181 0.000 0.896 377 L HN 0.437 nan 8.230 nan 0.000 0.433 378 S N -1.846 113.896 115.700 0.070 0.000 2.399 378 S HA -0.237 4.233 4.470 0.001 0.000 0.231 378 S C 1.817 176.421 174.600 0.007 0.000 1.022 378 S CA 1.287 59.496 58.200 0.015 0.000 0.983 378 S CB -0.775 62.443 63.200 0.030 0.000 0.803 378 S HN 0.596 nan 8.310 nan 0.000 0.480 379 D N 2.062 122.517 120.400 0.092 0.000 2.097 379 D HA 0.082 4.722 4.640 0.001 0.000 0.197 379 D C 2.103 178.483 176.300 0.133 0.000 0.984 379 D CA 1.319 55.414 54.000 0.158 0.000 0.826 379 D CB -0.523 40.451 40.800 0.290 0.000 0.973 379 D HN 0.464 nan 8.370 nan 0.000 0.460 380 A N 0.111 123.055 122.820 0.206 0.000 1.930 380 A HA -0.205 4.116 4.320 0.001 0.000 0.217 380 A C 2.145 179.522 177.584 -0.345 0.000 1.175 380 A CA 1.721 53.823 52.037 0.109 0.000 0.627 380 A CB -0.809 18.441 19.000 0.416 0.000 0.815 380 A HN 0.403 nan 8.150 nan 0.000 0.443 381 Q N -0.721 118.721 119.800 -0.597 0.000 2.061 381 Q HA -0.208 4.133 4.340 0.001 0.000 0.204 381 Q C 2.016 177.712 176.000 -0.506 0.000 0.984 381 Q CA 1.896 57.064 55.803 -1.058 0.000 0.846 381 Q CB -0.285 28.028 28.738 -0.709 0.000 0.902 381 Q HN 0.566 nan 8.270 nan 0.000 0.421 382 L N 0.484 121.535 121.223 -0.286 0.000 1.994 382 L HA -0.191 4.149 4.340 0.001 0.000 0.208 382 L C 2.116 178.868 176.870 -0.197 0.000 1.071 382 L CA 1.589 56.320 54.840 -0.182 0.000 0.745 382 L CB -0.499 41.501 42.059 -0.100 0.000 0.892 382 L HN 0.322 nan 8.230 nan 0.000 0.431 383 I N -0.839 119.562 120.570 -0.283 0.000 2.252 383 I HA -0.207 3.964 4.170 0.001 0.000 0.245 383 I C 2.727 178.715 176.117 -0.215 0.000 1.102 383 I CA 1.627 62.718 61.300 -0.348 0.000 1.385 383 I CB -1.628 35.838 38.000 -0.890 0.000 1.064 383 I HN 0.415 nan 8.210 nan 0.000 0.414 384 S N 0.974 116.519 115.700 -0.259 0.000 2.382 384 S HA -0.107 4.364 4.470 0.001 0.000 0.228 384 S C 2.161 176.755 174.600 -0.010 0.000 1.027 384 S CA 1.543 59.696 58.200 -0.078 0.000 0.991 384 S CB -0.542 62.663 63.200 0.008 0.000 0.823 384 S HN 0.514 nan 8.310 nan 0.000 0.469 385 G N 1.441 110.191 108.800 -0.083 0.000 2.421 385 G HA2 -0.105 3.855 3.960 0.001 0.000 0.216 385 G HA3 -0.105 3.855 3.960 0.001 0.000 0.216 385 G C 1.406 176.278 174.900 -0.047 0.000 1.171 385 G CA 0.883 45.955 45.100 -0.048 0.000 0.775 385 G HN 0.564 nan 8.290 nan 0.000 0.543 386 I N -0.844 119.678 120.570 -0.081 0.000 2.194 386 I HA -0.216 3.955 4.170 0.001 0.000 0.246 386 I C 2.187 178.183 176.117 -0.201 0.000 1.093 386 I CA 1.198 62.410 61.300 -0.147 0.000 1.355 386 I CB -0.145 37.745 38.000 -0.183 0.000 1.046 386 I HN 0.169 nan 8.210 nan 0.000 0.413 387 Y N -0.138 120.134 120.300 -0.047 0.000 2.466 387 Y HA 0.065 4.616 4.550 0.001 0.000 0.272 387 Y C 1.000 176.903 175.900 0.006 0.000 1.169 387 Y CA -0.036 58.060 58.100 -0.007 0.000 1.285 387 Y CB -0.095 38.367 38.460 0.004 0.000 1.078 387 Y HN 0.210 nan 8.280 nan 0.000 0.523 388 N N 1.503 120.267 118.700 0.107 0.000 2.714 388 N HA -0.257 4.483 4.740 0.001 0.000 0.252 388 N C -0.916 174.661 175.510 0.111 0.000 1.014 388 N CA 1.144 54.245 53.050 0.084 0.000 0.735 388 N CB -0.747 37.770 38.487 0.049 0.000 0.924 388 N HN 0.638 nan 8.380 nan 0.000 0.540 389 R N -1.948 118.632 120.500 0.134 0.000 2.728 389 R HA 0.390 4.730 4.340 0.001 0.000 0.274 389 R C -1.098 175.285 176.300 0.140 0.000 1.032 389 R CA -0.970 55.207 56.100 0.130 0.000 0.866 389 R CB 0.010 30.388 30.300 0.130 0.000 1.263 389 R HN 0.065 nan 8.270 nan 0.000 0.475 390 N N 1.132 119.916 118.700 0.141 0.000 2.458 390 N HA 0.127 4.867 4.740 0.001 0.000 0.258 390 N C -0.380 175.226 175.510 0.160 0.000 1.219 390 N CA 0.102 53.251 53.050 0.165 0.000 0.902 390 N CB 0.452 39.030 38.487 0.152 0.000 1.076 390 N HN 0.267 nan 8.380 nan 0.000 0.455 391 M N 1.559 121.273 119.600 0.190 0.000 2.444 391 M HA 0.458 4.939 4.480 0.001 0.000 0.319 391 M C 0.025 176.513 176.300 0.314 0.000 1.183 391 M CA -1.016 54.398 55.300 0.190 0.000 1.032 391 M CB 1.206 33.880 32.600 0.123 0.000 1.569 391 M HN 0.497 nan 8.290 nan 0.000 0.468 392 A N 1.879 124.849 122.820 0.251 0.000 2.301 392 A HA 0.665 4.986 4.320 0.001 0.000 0.312 392 A C -0.553 177.250 177.584 0.364 0.000 1.182 392 A CA -0.620 51.551 52.037 0.222 0.000 0.826 392 A CB 0.623 19.453 19.000 -0.283 0.000 1.134 392 A HN 0.591 nan 8.150 nan 0.000 0.501 393 V N 3.128 123.253 119.914 0.353 0.000 2.427 393 V HA 0.296 4.417 4.120 0.001 0.000 0.286 393 V C -0.628 175.529 176.094 0.105 0.000 1.034 393 V CA -0.488 61.917 62.300 0.176 0.000 0.893 393 V CB 1.465 33.396 31.823 0.180 0.000 0.982 393 V HN 0.883 nan 8.190 nan 0.000 0.452 394 W N 7.283 128.517 121.300 -0.109 0.000 2.299 394 W HA 0.328 4.989 4.660 0.001 0.000 0.319 394 W C -0.905 175.596 176.519 -0.030 0.000 1.008 394 W CA -1.749 55.528 57.345 -0.114 0.000 1.384 394 W CB 1.176 30.539 29.460 -0.161 0.000 1.220 394 W HN 0.741 nan 8.180 nan 0.000 0.402 395 W N 8.697 129.966 121.300 -0.052 0.000 2.308 395 W HA 0.197 4.858 4.660 0.001 0.000 0.311 395 W C -0.140 176.479 176.519 0.167 0.000 1.088 395 W CA -0.519 56.837 57.345 0.017 0.000 1.309 395 W CB 0.853 30.247 29.460 -0.110 0.000 1.229 395 W HN 0.253 nan 8.180 nan 0.000 0.427 396 N N 6.285 124.926 118.700 -0.098 0.000 3.193 396 N HA -0.031 4.709 4.740 0.001 0.000 0.312 396 N C -1.503 173.874 175.510 -0.222 0.000 1.261 396 N CA 0.538 53.553 53.050 -0.060 0.000 1.208 396 N CB -0.399 38.122 38.487 0.056 0.000 1.471 396 N HN 0.426 nan 8.380 nan 0.000 0.548 397 Y N 0.208 120.284 120.300 -0.374 0.000 2.436 397 Y HA 0.267 4.817 4.550 0.001 0.000 0.327 397 Y C -2.307 173.637 175.900 0.073 0.000 1.138 397 Y CA -1.501 56.498 58.100 -0.168 0.000 1.042 397 Y CB 2.325 40.620 38.460 -0.276 0.000 1.302 397 Y HN 0.029 nan 8.280 nan 0.000 0.439 398 P HA 0.012 nan 4.420 nan 0.000 0.257 398 P C 0.200 177.310 177.300 -0.318 0.000 1.325 398 P CA 0.349 63.099 63.100 -0.583 0.000 0.850 398 P CB 0.270 31.792 31.700 -0.296 0.000 1.324 399 V N 2.328 122.183 119.914 -0.097 0.000 2.790 399 V HA -0.062 4.058 4.120 0.001 0.000 0.304 399 V C 1.214 177.268 176.094 -0.067 0.000 1.142 399 V CA 1.997 64.295 62.300 -0.004 0.000 1.282 399 V CB 0.125 32.055 31.823 0.178 0.000 0.877 399 V HN 0.404 nan 8.190 nan 0.000 0.504 400 T N 0.600 115.070 114.554 -0.141 0.000 3.231 400 T HA 0.171 4.521 4.350 0.001 0.000 0.292 400 T C 0.849 175.371 174.700 -0.298 0.000 1.001 400 T CA 0.302 62.206 62.100 -0.327 0.000 0.920 400 T CB -0.097 68.648 68.868 -0.204 0.000 1.140 400 T HN 0.839 nan 8.240 nan 0.000 0.525 401 D N 1.980 122.354 120.400 -0.045 0.000 2.265 401 D HA -0.221 4.419 4.640 0.001 0.000 0.208 401 D C 1.423 177.800 176.300 0.127 0.000 0.977 401 D CA 1.158 55.228 54.000 0.116 0.000 0.871 401 D CB -0.777 40.223 40.800 0.334 0.000 0.925 401 D HN 0.774 nan 8.370 nan 0.000 0.485 402 Y N -3.045 117.351 120.300 0.160 0.000 2.462 402 Y HA 0.409 4.959 4.550 0.001 0.000 0.261 402 Y C 0.095 176.115 175.900 0.200 0.000 1.146 402 Y CA -1.107 57.092 58.100 0.165 0.000 1.283 402 Y CB -0.020 38.525 38.460 0.142 0.000 1.090 402 Y HN -0.086 nan 8.280 nan 0.000 0.526 403 F N 1.417 121.075 119.950 -0.486 0.000 2.883 403 F HA 0.393 4.921 4.527 0.001 0.000 0.383 403 F C 0.479 176.090 175.800 -0.314 0.000 1.342 403 F CA -1.463 56.323 58.000 -0.356 0.000 1.150 403 F CB 0.359 39.110 39.000 -0.415 0.000 2.189 403 F HN -0.182 nan 8.300 nan 0.000 0.593 404 K N 0.380 120.613 120.400 -0.277 0.000 2.288 404 K HA 0.029 4.349 4.320 0.001 0.000 0.201 404 K C 2.105 178.544 176.600 -0.268 0.000 1.048 404 K CA 0.951 57.157 56.287 -0.134 0.000 0.956 404 K CB -0.015 32.555 32.500 0.116 0.000 0.746 404 K HN 0.629 nan 8.250 nan 0.000 0.461 405 G N 1.590 109.888 108.800 -0.837 0.000 2.470 405 G HA2 -0.217 3.743 3.960 0.001 0.000 0.220 405 G HA3 -0.217 3.743 3.960 0.001 0.000 0.220 405 G C 0.480 175.050 174.900 -0.550 0.000 1.121 405 G CA 0.418 44.812 45.100 -1.176 0.000 0.766 405 G HN 0.154 nan 8.290 nan 0.000 0.553 406 K N -0.051 120.095 120.400 -0.423 0.000 2.164 406 K HA 0.573 4.894 4.320 0.001 0.000 0.258 406 K C -0.658 175.898 176.600 -0.072 0.000 0.951 406 K CA -0.732 55.452 56.287 -0.171 0.000 0.844 406 K CB 1.017 33.505 32.500 -0.020 0.000 1.099 406 K HN -0.023 nan 8.250 nan 0.000 0.435 407 L N 2.902 124.101 121.223 -0.039 0.000 2.292 407 L HA 0.432 4.773 4.340 0.001 0.000 0.284 407 L C -0.117 176.729 176.870 -0.040 0.000 1.065 407 L CA -0.760 54.072 54.840 -0.013 0.000 0.806 407 L CB 1.669 43.725 42.059 -0.004 0.000 1.175 407 L HN 0.685 nan 8.230 nan 0.000 0.431 408 A N 4.472 127.249 122.820 -0.070 0.000 2.341 408 A HA 0.549 4.869 4.320 0.001 0.000 0.326 408 A C 0.015 177.583 177.584 -0.027 0.000 1.402 408 A CA -0.278 51.677 52.037 -0.137 0.000 0.957 408 A CB 0.234 18.935 19.000 -0.499 0.000 1.151 408 A HN 0.590 nan 8.150 nan 0.000 0.533 409 L N 2.643 123.929 121.223 0.105 0.000 3.014 409 L HA 0.304 4.645 4.340 0.001 0.000 0.263 409 L C 1.161 178.285 176.870 0.423 0.000 1.207 409 L CA 0.197 55.169 54.840 0.220 0.000 1.017 409 L CB 0.078 42.215 42.059 0.130 0.000 1.360 409 L HN 0.710 nan 8.230 nan 0.000 0.560 410 G N -0.229 108.817 108.800 0.410 0.000 2.552 410 G HA2 0.624 4.584 3.960 0.001 0.000 0.318 410 G HA3 0.624 4.584 3.960 0.001 0.000 0.318 410 G C -2.717 172.485 174.900 0.503 0.000 1.240 410 G CA -0.990 44.301 45.100 0.318 0.000 1.002 410 G HN -0.085 nan 8.290 nan 0.000 0.493 411 P HA 0.228 nan 4.420 nan 0.000 0.278 411 P C -0.049 177.455 177.300 0.340 0.000 1.266 411 P CA -0.623 62.766 63.100 0.481 0.000 0.807 411 P CB 0.752 32.774 31.700 0.537 0.000 1.094 412 M N 1.608 121.424 119.600 0.361 0.000 2.286 412 M HA -0.015 4.466 4.480 0.001 0.000 0.365 412 M C 0.582 176.938 176.300 0.094 0.000 1.443 412 M CA 1.398 56.769 55.300 0.117 0.000 0.951 412 M CB -1.571 30.863 32.600 -0.277 0.000 1.961 412 M HN 0.531 nan 8.290 nan 0.000 0.468 413 H N 0.707 119.679 119.070 -0.164 0.000 3.026 413 H HA 0.393 4.950 4.556 0.001 0.000 0.352 413 H C 0.611 175.820 175.328 -0.198 0.000 1.090 413 H CA 0.886 56.773 56.048 -0.269 0.000 1.268 413 H CB 1.428 30.932 29.762 -0.429 0.000 1.816 413 H HN 0.828 nan 8.280 nan 0.000 0.518 414 G N 3.808 112.205 108.800 -0.673 0.000 2.194 414 G HA2 -0.226 3.734 3.960 0.001 0.000 0.236 414 G HA3 -0.226 3.734 3.960 0.001 0.000 0.236 414 G C -0.102 174.606 174.900 -0.320 0.000 0.987 414 G CA 0.158 45.019 45.100 -0.397 0.000 0.635 414 G HN 0.500 nan 8.290 nan 0.000 0.520 415 L N 1.926 122.873 121.223 -0.460 0.000 2.290 415 L HA 0.372 4.712 4.340 0.001 0.000 0.284 415 L C 0.476 177.221 176.870 -0.208 0.000 1.078 415 L CA -0.755 53.787 54.840 -0.496 0.000 0.815 415 L CB 1.031 42.511 42.059 -0.964 0.000 1.162 415 L HN 0.155 nan 8.230 nan 0.000 0.435 416 D N 3.658 124.018 120.400 -0.067 0.000 2.450 416 D HA -0.045 4.596 4.640 0.001 0.000 0.247 416 D C 0.649 177.021 176.300 0.120 0.000 1.162 416 D CA 0.067 54.089 54.000 0.037 0.000 0.879 416 D CB 1.066 41.908 40.800 0.070 0.000 1.163 416 D HN 0.504 nan 8.370 nan 0.000 0.472 417 K N 2.305 122.783 120.400 0.129 0.000 2.574 417 K HA -0.029 4.291 4.320 0.001 0.000 0.193 417 K C 1.394 178.021 176.600 0.045 0.000 1.035 417 K CA 0.428 56.801 56.287 0.142 0.000 0.982 417 K CB 0.293 32.881 32.500 0.146 0.000 0.795 417 K HN 0.408 nan 8.250 nan 0.000 0.491 418 G N 0.524 109.356 108.800 0.053 0.000 3.393 418 G HA2 0.000 3.961 3.960 0.001 0.000 0.255 418 G HA3 0.000 3.961 3.960 0.001 0.000 0.255 418 G C 1.028 175.953 174.900 0.042 0.000 1.097 418 G CA -0.295 44.821 45.100 0.027 0.000 0.780 418 G HN 0.039 nan 8.290 nan 0.000 0.540 419 L N 2.216 123.482 121.223 0.072 0.000 2.187 419 L HA -0.126 4.215 4.340 0.001 0.000 0.213 419 L C 2.689 179.618 176.870 0.100 0.000 1.100 419 L CA 1.605 56.531 54.840 0.142 0.000 0.765 419 L CB -0.355 41.803 42.059 0.164 0.000 0.904 419 L HN 0.474 nan 8.230 nan 0.000 0.437 420 N N -0.811 117.878 118.700 -0.019 0.000 2.348 420 N HA -0.274 4.467 4.740 0.001 0.000 0.185 420 N C 1.546 177.016 175.510 -0.067 0.000 1.019 420 N CA 1.375 54.397 53.050 -0.047 0.000 0.880 420 N CB -0.432 37.986 38.487 -0.115 0.000 0.965 420 N HN 0.547 nan 8.380 nan 0.000 0.437 421 Q N -0.711 119.000 119.800 -0.149 0.000 2.124 421 Q HA -0.095 4.245 4.340 0.001 0.000 0.202 421 Q C 0.721 176.450 176.000 -0.452 0.000 0.977 421 Q CA 1.587 57.163 55.803 -0.378 0.000 0.850 421 Q CB -0.161 28.196 28.738 -0.634 0.000 0.901 421 Q HN 0.565 nan 8.270 nan 0.000 0.429 422 Y N -1.770 118.579 120.300 0.081 0.000 2.445 422 Y HA 0.298 4.849 4.550 0.001 0.000 0.247 422 Y C -0.167 175.818 175.900 0.141 0.000 1.129 422 Y CA -0.354 57.803 58.100 0.095 0.000 1.251 422 Y CB 1.263 39.777 38.460 0.089 0.000 1.176 422 Y HN -0.228 nan 8.280 nan 0.000 0.522 423 V N 0.377 120.449 119.914 0.263 0.000 2.577 423 V HA 0.274 4.394 4.120 0.001 0.000 0.303 423 V C -0.756 175.465 176.094 0.212 0.000 1.042 423 V CA -0.644 61.835 62.300 0.298 0.000 0.872 423 V CB 2.133 34.181 31.823 0.375 0.000 0.998 423 V HN -0.035 nan 8.190 nan 0.000 0.423 424 D N 2.845 123.393 120.400 0.247 0.000 2.599 424 D HA 0.280 4.921 4.640 0.001 0.000 0.249 424 D C -0.835 175.638 176.300 0.289 0.000 1.313 424 D CA 0.167 54.285 54.000 0.198 0.000 0.815 424 D CB 0.333 41.223 40.800 0.151 0.000 1.077 424 D HN 0.364 nan 8.370 nan 0.000 0.492 425 F N 1.074 121.136 119.950 0.186 0.000 2.787 425 F HA 0.380 4.908 4.527 0.001 0.000 0.340 425 F C -2.078 173.880 175.800 0.264 0.000 1.232 425 F CA -1.111 57.004 58.000 0.192 0.000 1.051 425 F CB 1.032 40.130 39.000 0.164 0.000 1.330 425 F HN -0.240 nan 8.300 nan 0.000 0.522 426 F N 5.640 125.738 119.950 0.247 0.000 2.507 426 F HA 0.682 5.209 4.527 0.001 0.000 0.328 426 F C -0.801 175.104 175.800 0.175 0.000 1.136 426 F CA -0.203 57.934 58.000 0.230 0.000 0.930 426 F CB 1.678 40.759 39.000 0.136 0.000 1.166 426 F HN 0.461 nan 8.300 nan 0.000 0.436 427 T N 3.304 117.597 114.554 -0.436 0.000 2.906 427 T HA 0.752 5.102 4.350 0.001 0.000 0.295 427 T C -0.906 173.462 174.700 -0.552 0.000 1.061 427 T CA -0.737 61.144 62.100 -0.364 0.000 1.000 427 T CB 1.354 70.132 68.868 -0.151 0.000 1.103 427 T HN 0.813 nan 8.240 nan 0.000 0.486 428 V N -0.145 119.604 119.914 -0.275 0.000 2.667 428 V HA 0.749 4.870 4.120 0.001 0.000 0.308 428 V C -0.483 175.525 176.094 -0.142 0.000 1.048 428 V CA -1.049 61.196 62.300 -0.092 0.000 0.928 428 V CB 1.618 33.551 31.823 0.184 0.000 1.004 428 V HN 0.935 nan 8.190 nan 0.000 0.444 429 N N 5.205 123.834 118.700 -0.118 0.000 2.420 429 N HA 0.579 5.320 4.740 0.001 0.000 0.249 429 N C -2.440 173.120 175.510 0.084 0.000 1.033 429 N CA -1.870 51.139 53.050 -0.068 0.000 0.944 429 N CB 1.431 39.945 38.487 0.045 0.000 1.113 429 N HN 0.655 nan 8.380 nan 0.000 0.502 430 P HA 0.311 nan 4.420 nan 0.000 0.310 430 P C -0.214 177.018 177.300 -0.114 0.000 1.309 430 P CA -0.498 62.668 63.100 0.110 0.000 0.769 430 P CB 1.118 33.006 31.700 0.313 0.000 1.327 431 M N -0.117 119.382 119.600 -0.168 0.000 2.227 431 M HA 0.152 4.633 4.480 0.001 0.000 0.316 431 M C 1.868 177.654 176.300 -0.855 0.000 1.144 431 M CA -0.127 54.945 55.300 -0.381 0.000 1.121 431 M CB 0.273 32.802 32.600 -0.119 0.000 1.440 431 M HN 0.472 nan 8.290 nan 0.000 0.473 432 E N 0.190 119.795 120.200 -0.993 0.000 2.267 432 E HA -0.184 4.167 4.350 0.001 0.000 0.197 432 E C -0.121 176.388 176.600 -0.151 0.000 0.998 432 E CA 1.194 57.157 56.400 -0.728 0.000 0.830 432 E CB -0.213 29.272 29.700 -0.359 0.000 0.751 432 E HN 0.516 nan 8.360 nan 0.000 0.491 433 H N 0.606 119.682 119.070 0.009 0.000 3.008 433 H HA 0.315 4.871 4.556 0.001 0.000 0.268 433 H C 0.801 176.153 175.328 0.040 0.000 1.323 433 H CA 0.273 56.348 56.048 0.046 0.000 1.401 433 H CB 1.058 30.833 29.762 0.021 0.000 1.556 433 H HN 0.287 nan 8.280 nan 0.000 0.502 434 A N 3.061 125.896 122.820 0.026 0.000 1.902 434 A HA -0.205 4.116 4.320 0.001 0.000 0.217 434 A C 2.340 179.767 177.584 -0.263 0.000 1.181 434 A CA 1.604 53.419 52.037 -0.370 0.000 0.623 434 A CB 0.000 18.385 19.000 -1.025 0.000 0.818 434 A HN 0.539 nan 8.150 nan 0.000 0.443 435 E N 0.165 120.262 120.200 -0.173 0.000 2.047 435 E HA -0.056 4.295 4.350 0.001 0.000 0.191 435 E C 1.793 178.343 176.600 -0.082 0.000 0.987 435 E CA 1.084 57.380 56.400 -0.172 0.000 0.799 435 E CB -0.298 29.326 29.700 -0.126 0.000 0.752 435 E HN 0.534 nan 8.360 nan 0.000 0.449 436 L N 0.260 121.498 121.223 0.024 0.000 2.478 436 L HA 0.009 4.349 4.340 0.001 0.000 0.223 436 L C 2.062 178.995 176.870 0.105 0.000 1.140 436 L CA 0.591 55.489 54.840 0.097 0.000 0.842 436 L CB -0.209 41.917 42.059 0.111 0.000 0.953 436 L HN 0.099 nan 8.230 nan 0.000 0.452 437 S N 0.029 115.780 115.700 0.086 0.000 2.447 437 S HA -0.125 4.345 4.470 0.001 0.000 0.233 437 S C 1.870 176.563 174.600 0.156 0.000 1.006 437 S CA 0.953 59.235 58.200 0.136 0.000 0.957 437 S CB -0.008 63.306 63.200 0.190 0.000 0.773 437 S HN 0.402 nan 8.310 nan 0.000 0.507 438 K N 1.091 121.500 120.400 0.015 0.000 2.103 438 K HA -0.063 4.257 4.320 0.001 0.000 0.207 438 K C 1.811 178.558 176.600 0.245 0.000 1.048 438 K CA 1.208 57.463 56.287 -0.052 0.000 0.930 438 K CB -0.393 31.748 32.500 -0.599 0.000 0.716 438 K HN 0.359 nan 8.250 nan 0.000 0.444 439 I N 0.412 121.111 120.570 0.215 0.000 2.091 439 I HA -0.364 3.807 4.170 0.001 0.000 0.239 439 I C 2.650 178.994 176.117 0.377 0.000 1.061 439 I CA 1.416 62.870 61.300 0.257 0.000 1.317 439 I CB -0.445 37.686 38.000 0.219 0.000 1.031 439 I HN 0.161 nan 8.210 nan 0.000 0.401 440 S N 0.551 116.483 115.700 0.387 0.000 2.387 440 S HA -0.038 4.433 4.470 0.001 0.000 0.226 440 S C 2.033 176.914 174.600 0.469 0.000 1.026 440 S CA 0.843 59.319 58.200 0.461 0.000 0.972 440 S CB -0.276 63.195 63.200 0.452 0.000 0.814 440 S HN 0.296 nan 8.310 nan 0.000 0.477 441 I N 1.228 122.071 120.570 0.456 0.000 2.286 441 I HA -0.189 3.982 4.170 0.001 0.000 0.248 441 I C 2.590 179.000 176.117 0.489 0.000 1.115 441 I CA 1.523 63.111 61.300 0.479 0.000 1.392 441 I CB -0.579 37.761 38.000 0.567 0.000 1.065 441 I HN 0.468 nan 8.210 nan 0.000 0.418 442 H N 1.284 120.633 119.070 0.465 0.000 2.319 442 H HA -0.207 4.350 4.556 0.001 0.000 0.297 442 H C 2.385 177.888 175.328 0.292 0.000 1.097 442 H CA 2.422 58.687 56.048 0.361 0.000 1.285 442 H CB -0.009 29.994 29.762 0.400 0.000 1.368 442 H HN 0.435 nan 8.280 nan 0.000 0.495 443 T N -1.787 113.078 114.554 0.518 0.000 2.904 443 T HA 0.078 4.429 4.350 0.001 0.000 0.267 443 T C 2.233 177.144 174.700 0.351 0.000 1.059 443 T CA 1.077 63.480 62.100 0.506 0.000 1.137 443 T CB -0.509 68.716 68.868 0.595 0.000 0.879 443 T HN 0.365 nan 8.240 nan 0.000 0.467 444 A N 1.712 124.730 122.820 0.330 0.000 1.930 444 A HA 0.391 4.712 4.320 0.001 0.000 0.217 444 A C 2.824 180.540 177.584 0.220 0.000 1.175 444 A CA 1.665 53.884 52.037 0.304 0.000 0.627 444 A CB -1.359 17.912 19.000 0.452 0.000 0.815 444 A HN 0.760 nan 8.150 nan 0.000 0.443 445 A N 0.003 122.921 122.820 0.163 0.000 1.908 445 A HA -0.218 4.103 4.320 0.001 0.000 0.218 445 A C 1.862 179.479 177.584 0.056 0.000 1.181 445 A CA 2.223 54.292 52.037 0.054 0.000 0.627 445 A CB -0.662 18.282 19.000 -0.092 0.000 0.818 445 A HN 0.532 nan 8.150 nan 0.000 0.445 446 D N -2.110 118.345 120.400 0.092 0.000 2.117 446 D HA -0.182 4.459 4.640 0.001 0.000 0.198 446 D C 1.757 178.143 176.300 0.142 0.000 0.982 446 D CA 1.459 55.555 54.000 0.159 0.000 0.828 446 D CB -0.295 40.682 40.800 0.294 0.000 0.967 446 D HN 0.488 nan 8.370 nan 0.000 0.464 447 Y N 0.948 121.154 120.300 -0.157 0.000 2.165 447 Y HA -0.193 4.357 4.550 0.001 0.000 0.286 447 Y C 2.373 178.071 175.900 -0.337 0.000 1.155 447 Y CA 2.325 60.116 58.100 -0.514 0.000 1.164 447 Y CB -0.609 37.256 38.460 -0.993 0.000 0.978 447 Y HN 0.092 nan 8.280 nan 0.000 0.513 448 S N -0.966 114.521 115.700 -0.356 0.000 2.478 448 S HA -0.126 4.344 4.470 0.001 0.000 0.222 448 S C 1.911 176.398 174.600 -0.188 0.000 1.008 448 S CA 0.394 58.365 58.200 -0.381 0.000 0.928 448 S CB -0.972 62.160 63.200 -0.114 0.000 0.781 448 S HN 0.726 nan 8.310 nan 0.000 0.518 449 W N 2.445 123.606 121.300 -0.231 0.000 2.525 449 W HA 0.341 5.001 4.660 0.001 0.000 0.288 449 W C 0.077 176.468 176.519 -0.214 0.000 1.200 449 W CA 0.378 57.604 57.345 -0.199 0.000 1.349 449 W CB -0.073 29.281 29.460 -0.177 0.000 1.102 449 W HN 0.294 nan 8.180 nan 0.000 0.558 450 N N 1.443 120.175 118.700 0.053 0.000 2.841 450 N HA 0.072 4.812 4.740 0.001 0.000 0.257 450 N C 0.677 176.146 175.510 -0.068 0.000 1.396 450 N CA -0.047 52.988 53.050 -0.024 0.000 0.823 450 N CB 0.051 38.604 38.487 0.110 0.000 1.162 450 N HN 0.078 nan 8.380 nan 0.000 0.503 451 M N 0.759 120.231 119.600 -0.213 0.000 2.200 451 M HA -0.094 4.386 4.480 0.001 0.000 0.265 451 M C 1.112 177.368 176.300 -0.074 0.000 1.066 451 M CA 1.667 56.793 55.300 -0.290 0.000 1.127 451 M CB 0.110 32.411 32.600 -0.497 0.000 1.379 451 M HN 0.254 nan 8.290 nan 0.000 0.420 452 D N 0.381 120.743 120.400 -0.064 0.000 2.178 452 D HA -0.144 4.497 4.640 0.001 0.000 0.201 452 D C 1.170 177.491 176.300 0.035 0.000 0.980 452 D CA 1.168 55.160 54.000 -0.013 0.000 0.842 452 D CB -0.011 40.770 40.800 -0.031 0.000 0.948 452 D HN 0.392 nan 8.370 nan 0.000 0.472 453 N N -0.735 117.993 118.700 0.045 0.000 2.270 453 N HA -0.061 4.680 4.740 0.001 0.000 0.198 453 N C -0.495 175.079 175.510 0.107 0.000 1.117 453 N CA -0.170 52.914 53.050 0.057 0.000 0.845 453 N CB 0.206 38.711 38.487 0.031 0.000 0.980 453 N HN 0.285 nan 8.380 nan 0.000 0.486 454 Y N 2.364 122.693 120.300 0.048 0.000 2.526 454 Y HA 0.039 4.590 4.550 0.001 0.000 0.330 454 Y C -0.129 175.832 175.900 0.102 0.000 1.156 454 Y CA 0.073 58.237 58.100 0.107 0.000 1.419 454 Y CB 0.421 39.004 38.460 0.205 0.000 1.250 454 Y HN -0.083 nan 8.280 nan 0.000 0.540 455 D N 5.671 125.723 120.400 -0.579 0.000 2.476 455 D HA 0.014 4.654 4.640 0.001 0.000 0.251 455 D C 0.104 175.965 176.300 -0.731 0.000 1.291 455 D CA -0.557 53.139 54.000 -0.506 0.000 0.939 455 D CB 0.342 40.983 40.800 -0.265 0.000 1.221 455 D HN 0.636 nan 8.370 nan 0.000 0.567 456 Y N 2.550 122.471 120.300 -0.632 0.000 2.224 456 Y HA -0.055 4.496 4.550 0.001 0.000 0.289 456 Y C 1.560 177.432 175.900 -0.046 0.000 1.146 456 Y CA 1.490 59.368 58.100 -0.370 0.000 1.182 456 Y CB -0.432 38.045 38.460 0.029 0.000 0.983 456 Y HN 0.302 nan 8.280 nan 0.000 0.524 457 D N 0.355 120.464 120.400 -0.484 0.000 2.097 457 D HA -0.139 4.502 4.640 0.001 0.000 0.197 457 D C 1.873 178.199 176.300 0.044 0.000 0.984 457 D CA 1.596 55.505 54.000 -0.152 0.000 0.826 457 D CB -0.020 40.590 40.800 -0.317 0.000 0.973 457 D HN 0.387 nan 8.370 nan 0.000 0.460 458 K N 0.018 120.369 120.400 -0.082 0.000 2.057 458 K HA -0.030 4.291 4.320 0.001 0.000 0.206 458 K C 2.211 178.842 176.600 0.052 0.000 1.050 458 K CA 1.064 57.339 56.287 -0.019 0.000 0.935 458 K CB -0.167 32.292 32.500 -0.068 0.000 0.715 458 K HN 0.123 nan 8.250 nan 0.000 0.439 459 A N 0.811 123.658 122.820 0.044 0.000 1.933 459 A HA -0.194 4.126 4.320 0.001 0.000 0.218 459 A C 1.923 179.684 177.584 0.295 0.000 1.175 459 A CA 1.279 53.430 52.037 0.190 0.000 0.628 459 A CB -0.833 18.315 19.000 0.248 0.000 0.814 459 A HN 0.592 nan 8.150 nan 0.000 0.444 460 W N 1.402 122.781 121.300 0.131 0.000 2.355 460 W HA -0.158 4.502 4.660 0.001 0.000 0.309 460 W C 2.038 178.605 176.519 0.079 0.000 1.206 460 W CA 1.822 59.253 57.345 0.143 0.000 1.284 460 W CB -0.289 29.262 29.460 0.151 0.000 1.145 460 W HN 0.358 nan 8.180 nan 0.000 0.502 461 N N 0.310 119.053 118.700 0.071 0.000 2.069 461 N HA -0.238 4.502 4.740 0.001 0.000 0.191 461 N C 1.891 177.316 175.510 -0.141 0.000 1.031 461 N CA 1.937 54.905 53.050 -0.137 0.000 0.852 461 N CB -0.633 37.863 38.487 0.014 0.000 1.018 461 N HN 0.251 nan 8.380 nan 0.000 0.423 462 R N 0.964 121.447 120.500 -0.029 0.000 2.081 462 R HA -0.070 4.270 4.340 0.001 0.000 0.235 462 R C 2.228 178.457 176.300 -0.118 0.000 1.131 462 R CA 1.446 57.541 56.100 -0.008 0.000 0.960 462 R CB -0.203 30.157 30.300 0.100 0.000 0.856 462 R HN 0.171 nan 8.270 nan 0.000 0.436 463 A N 0.809 123.512 122.820 -0.195 0.000 1.908 463 A HA -0.167 4.154 4.320 0.001 0.000 0.218 463 A C 2.136 179.495 177.584 -0.375 0.000 1.181 463 A CA 1.580 53.249 52.037 -0.613 0.000 0.627 463 A CB -0.508 18.367 19.000 -0.208 0.000 0.818 463 A HN 0.373 nan 8.150 nan 0.000 0.445 464 I N -0.504 119.885 120.570 -0.301 0.000 2.353 464 I HA -0.173 3.998 4.170 0.001 0.000 0.248 464 I C 1.820 177.892 176.117 -0.076 0.000 1.119 464 I CA 1.105 62.285 61.300 -0.201 0.000 1.417 464 I CB -0.480 37.217 38.000 -0.505 0.000 1.078 464 I HN 0.222 nan 8.210 nan 0.000 0.421 465 D N 1.048 121.372 120.400 -0.126 0.000 2.092 465 D HA -0.199 4.441 4.640 0.001 0.000 0.193 465 D C 2.251 178.527 176.300 -0.040 0.000 0.994 465 D CA 1.641 55.602 54.000 -0.065 0.000 0.828 465 D CB -0.205 40.559 40.800 -0.060 0.000 0.963 465 D HN 0.298 nan 8.370 nan 0.000 0.450 466 M N -0.428 119.131 119.600 -0.068 0.000 2.394 466 M HA -0.003 4.477 4.480 0.001 0.000 0.264 466 M C 1.914 178.191 176.300 -0.037 0.000 1.073 466 M CA 0.674 55.955 55.300 -0.032 0.000 1.111 466 M CB 0.194 32.810 32.600 0.028 0.000 1.401 466 M HN -0.016 nan 8.290 nan 0.000 0.448 467 L N -2.410 118.774 121.223 -0.064 0.000 2.357 467 L HA -0.010 4.331 4.340 0.001 0.000 0.211 467 L C 1.340 178.006 176.870 -0.340 0.000 1.075 467 L CA 0.637 55.386 54.840 -0.152 0.000 0.830 467 L CB 0.063 42.054 42.059 -0.112 0.000 0.996 467 L HN 0.196 nan 8.230 nan 0.000 0.467 468 Y N -0.576 119.671 120.300 -0.089 0.000 2.445 468 Y HA 0.319 4.869 4.550 0.001 0.000 0.247 468 Y C 1.784 177.646 175.900 -0.063 0.000 1.129 468 Y CA 0.242 58.297 58.100 -0.076 0.000 1.251 468 Y CB 0.282 38.692 38.460 -0.083 0.000 1.176 468 Y HN 0.167 nan 8.280 nan 0.000 0.522 469 G N 1.019 109.837 108.800 0.030 0.000 2.629 469 G HA2 -0.421 3.540 3.960 0.001 0.000 0.313 469 G HA3 -0.421 3.540 3.960 0.001 0.000 0.313 469 G C 0.911 175.821 174.900 0.017 0.000 1.217 469 G CA 0.914 46.016 45.100 0.004 0.000 0.994 469 G HN 0.299 nan 8.290 nan 0.000 0.549 470 D N 0.781 121.186 120.400 0.008 0.000 2.310 470 D HA 0.027 4.668 4.640 0.001 0.000 0.212 470 D C 2.416 178.727 176.300 0.018 0.000 0.965 470 D CA 0.892 54.895 54.000 0.006 0.000 0.879 470 D CB 0.012 40.811 40.800 -0.003 0.000 0.921 470 D HN 0.363 nan 8.370 nan 0.000 0.510 471 L N 0.299 121.551 121.223 0.048 0.000 2.592 471 L HA 0.191 4.532 4.340 0.001 0.000 0.227 471 L C 2.272 179.168 176.870 0.044 0.000 1.127 471 L CA -0.191 54.684 54.840 0.058 0.000 0.884 471 L CB 0.002 42.123 42.059 0.103 0.000 1.065 471 L HN -0.104 nan 8.230 nan 0.000 0.457 472 A N 0.456 123.304 122.820 0.046 0.000 1.892 472 A HA -0.213 4.108 4.320 0.001 0.000 0.218 472 A C 2.232 179.771 177.584 -0.074 0.000 1.188 472 A CA 1.627 53.658 52.037 -0.011 0.000 0.631 472 A CB -0.216 18.776 19.000 -0.015 0.000 0.822 472 A HN 0.323 nan 8.150 nan 0.000 0.447 473 E N 0.212 120.388 120.200 -0.040 0.000 2.072 473 E HA -0.153 4.198 4.350 0.001 0.000 0.191 473 E C 1.580 178.170 176.600 -0.017 0.000 0.985 473 E CA 1.303 57.684 56.400 -0.032 0.000 0.801 473 E CB -0.468 29.224 29.700 -0.013 0.000 0.750 473 E HN 0.584 nan 8.360 nan 0.000 0.452 474 D N 0.207 120.599 120.400 -0.014 0.000 2.144 474 D HA -0.128 4.512 4.640 0.001 0.000 0.200 474 D C 1.900 178.201 176.300 0.002 0.000 0.978 474 D CA 0.777 54.778 54.000 0.002 0.000 0.833 474 D CB -0.181 40.614 40.800 -0.008 0.000 0.961 474 D HN 0.081 nan 8.370 nan 0.000 0.470 475 M N 0.858 120.409 119.600 -0.081 0.000 2.175 475 M HA -0.083 4.398 4.480 0.001 0.000 0.264 475 M C 1.651 177.899 176.300 -0.087 0.000 1.063 475 M CA 1.451 56.654 55.300 -0.161 0.000 1.119 475 M CB 0.003 32.252 32.600 -0.584 0.000 1.377 475 M HN -0.200 nan 8.290 nan 0.000 0.415 476 K N -1.048 119.273 120.400 -0.132 0.000 2.063 476 K HA -0.141 4.180 4.320 0.001 0.000 0.208 476 K C 1.797 178.516 176.600 0.199 0.000 1.048 476 K CA 1.672 57.921 56.287 -0.064 0.000 0.928 476 K CB -0.538 31.892 32.500 -0.116 0.000 0.713 476 K HN 0.232 nan 8.250 nan 0.000 0.442 477 V N 1.103 121.115 119.914 0.163 0.000 2.287 477 V HA -0.260 3.860 4.120 0.001 0.000 0.248 477 V C 1.984 178.269 176.094 0.319 0.000 1.053 477 V CA 1.840 64.274 62.300 0.223 0.000 1.027 477 V CB -0.508 31.412 31.823 0.163 0.000 0.646 477 V HN 0.241 nan 8.190 nan 0.000 0.447 478 F N 1.565 121.583 119.950 0.114 0.000 2.060 478 F HA -0.044 4.483 4.527 0.001 0.000 0.295 478 F C 2.319 178.222 175.800 0.170 0.000 1.120 478 F CA 1.453 59.516 58.000 0.104 0.000 1.205 478 F CB -0.878 38.127 39.000 0.009 0.000 0.986 478 F HN 0.054 nan 8.300 nan 0.000 0.470 479 A N 0.339 123.135 122.820 -0.040 0.000 1.940 479 A HA -0.281 4.039 4.320 0.001 0.000 0.219 479 A C 2.029 179.708 177.584 0.158 0.000 1.176 479 A CA 1.920 53.940 52.037 -0.030 0.000 0.631 479 A CB -1.351 17.778 19.000 0.215 0.000 0.814 479 A HN 0.575 nan 8.150 nan 0.000 0.446 480 N N -0.382 118.507 118.700 0.315 0.000 2.258 480 N HA -0.190 4.551 4.740 0.001 0.000 0.187 480 N C 1.332 176.720 175.510 -0.203 0.000 1.012 480 N CA 1.531 54.585 53.050 0.007 0.000 0.870 480 N CB -0.454 38.090 38.487 0.095 0.000 0.977 480 N HN 0.666 nan 8.380 nan 0.000 0.434 481 H N -1.960 117.049 119.070 -0.102 0.000 2.526 481 H HA 0.218 4.774 4.556 0.001 0.000 0.274 481 H C 0.145 175.380 175.328 -0.156 0.000 0.999 481 H CA 0.296 56.276 56.048 -0.113 0.000 1.157 481 H CB 0.369 30.086 29.762 -0.075 0.000 1.407 481 H HN 0.059 nan 8.280 nan 0.000 0.568 482 S N 0.245 115.874 115.700 -0.118 0.000 2.569 482 S HA 0.077 4.547 4.470 0.001 0.000 0.215 482 S C 1.079 175.643 174.600 -0.059 0.000 1.096 482 S CA -0.237 57.888 58.200 -0.126 0.000 1.183 482 S CB -0.110 62.918 63.200 -0.287 0.000 1.324 482 S HN 0.506 nan 8.310 nan 0.000 0.421 483 T N -1.391 113.128 114.554 -0.058 0.000 2.978 483 T HA 0.346 4.697 4.350 0.001 0.000 0.248 483 T C 0.652 175.390 174.700 0.063 0.000 1.018 483 T CA -0.172 61.928 62.100 -0.001 0.000 1.026 483 T CB 0.075 68.832 68.868 -0.184 0.000 1.032 483 T HN 0.237 nan 8.240 nan 0.000 0.485 484 R N 1.734 122.229 120.500 -0.009 0.000 2.221 484 R HA 0.520 4.860 4.340 0.001 0.000 0.327 484 R C -0.709 175.615 176.300 0.041 0.000 1.033 484 R CA -0.577 55.519 56.100 -0.007 0.000 0.887 484 R CB 0.189 30.448 30.300 -0.069 0.000 1.057 484 R HN 0.157 nan 8.270 nan 0.000 0.455 485 M N 2.929 122.578 119.600 0.082 0.000 2.268 485 M HA 0.318 4.798 4.480 0.001 0.000 0.344 485 M C -1.122 175.134 176.300 -0.072 0.000 1.106 485 M CA -0.631 54.699 55.300 0.051 0.000 1.010 485 M CB 1.590 34.287 32.600 0.161 0.000 1.649 485 M HN 0.595 nan 8.290 nan 0.000 0.443 486 D N 2.257 122.496 120.400 -0.269 0.000 2.484 486 D HA 0.106 4.746 4.640 0.001 0.000 0.206 486 D C -0.143 175.702 176.300 -0.759 0.000 1.322 486 D CA -0.244 53.534 54.000 -0.370 0.000 0.913 486 D CB 0.806 41.464 40.800 -0.237 0.000 1.559 486 D HN 0.595 nan 8.370 nan 0.000 0.565 487 N N 3.280 121.565 118.700 -0.691 0.000 2.398 487 N HA -0.006 4.735 4.740 0.001 0.000 0.188 487 N C 0.357 175.620 175.510 -0.412 0.000 1.122 487 N CA 0.098 52.697 53.050 -0.751 0.000 0.866 487 N CB 0.049 38.279 38.487 -0.428 0.000 0.970 487 N HN 0.536 nan 8.380 nan 0.000 0.462 488 K N -1.890 118.308 120.400 -0.336 0.000 3.553 488 K HA -0.191 4.129 4.320 0.001 0.000 0.303 488 K C 0.482 177.010 176.600 -0.120 0.000 1.327 488 K CA 1.662 57.840 56.287 -0.182 0.000 0.983 488 K CB -2.083 30.346 32.500 -0.118 0.000 1.275 488 K HN 0.662 nan 8.250 nan 0.000 0.453 489 T N -2.882 111.581 114.554 -0.152 0.000 2.995 489 T HA 0.167 4.517 4.350 0.001 0.000 0.170 489 T C 1.389 176.065 174.700 -0.040 0.000 0.844 489 T CA 0.041 62.118 62.100 -0.039 0.000 1.137 489 T CB -0.424 68.494 68.868 0.083 0.000 2.193 489 T HN 0.316 nan 8.240 nan 0.000 0.384 490 W N 2.645 123.889 121.300 -0.093 0.000 3.003 490 W HA 0.693 5.353 4.660 0.001 0.000 0.257 490 W C 0.071 176.490 176.519 -0.167 0.000 1.308 490 W CA -0.076 57.200 57.345 -0.115 0.000 1.529 490 W CB -0.351 29.040 29.460 -0.114 0.000 1.115 490 W HN 0.552 nan 8.180 nan 0.000 0.659 491 A N 2.166 124.434 122.820 -0.921 0.000 2.291 491 A HA 0.668 4.988 4.320 0.001 0.000 0.311 491 A C -0.676 176.582 177.584 -0.542 0.000 1.224 491 A CA -0.644 50.786 52.037 -1.012 0.000 0.821 491 A CB 0.823 18.521 19.000 -2.170 0.000 1.172 491 A HN 0.147 nan 8.150 nan 0.000 0.494 492 K N 1.201 121.412 120.400 -0.315 0.000 2.553 492 K HA 0.668 4.989 4.320 0.001 0.000 0.250 492 K C -1.241 175.301 176.600 -0.097 0.000 0.953 492 K CA -0.365 55.821 56.287 -0.169 0.000 0.800 492 K CB 2.253 34.680 32.500 -0.123 0.000 1.243 492 K HN 0.635 nan 8.250 nan 0.000 0.435 493 S N 0.842 116.527 115.700 -0.025 0.000 2.567 493 S HA 0.828 5.299 4.470 0.001 0.000 0.270 493 S C -1.417 173.182 174.600 -0.002 0.000 1.152 493 S CA 0.308 58.504 58.200 -0.006 0.000 0.835 493 S CB 1.729 64.896 63.200 -0.056 0.000 1.115 493 S HN 1.039 nan 8.310 nan 0.000 0.459 494 G N 2.367 111.074 108.800 -0.154 0.000 2.515 494 G HA2 0.050 4.011 3.960 0.001 0.000 0.686 494 G HA3 0.050 4.011 3.960 0.001 0.000 0.686 494 G C -0.968 173.648 174.900 -0.474 0.000 1.274 494 G CA -0.650 44.227 45.100 -0.372 0.000 0.874 494 G HN 0.785 nan 8.290 nan 0.000 0.631 495 R N 0.510 120.546 120.500 -0.773 0.000 2.623 495 R HA 0.180 4.520 4.340 0.001 0.000 0.271 495 R C 0.380 176.391 176.300 -0.481 0.000 1.043 495 R CA -0.291 55.212 56.100 -0.997 0.000 1.083 495 R CB 0.260 30.075 30.300 -0.807 0.000 0.974 495 R HN 0.536 nan 8.270 nan 0.000 0.436 496 E N 2.416 122.390 120.200 -0.377 0.000 2.481 496 E HA -0.071 4.279 4.350 0.001 0.000 0.263 496 E C -0.451 176.015 176.600 -0.223 0.000 0.992 496 E CA 0.414 56.682 56.400 -0.219 0.000 0.938 496 E CB 0.313 29.923 29.700 -0.151 0.000 0.933 496 E HN 0.453 nan 8.360 nan 0.000 0.453 497 D N 0.776 121.072 120.400 -0.172 0.000 2.449 497 D HA 0.074 4.714 4.640 0.001 0.000 0.236 497 D C 0.261 176.415 176.300 -0.244 0.000 1.149 497 D CA 0.458 54.337 54.000 -0.201 0.000 0.878 497 D CB 0.350 41.077 40.800 -0.122 0.000 1.198 497 D HN 0.495 nan 8.370 nan 0.000 0.446 498 A N 3.286 125.888 122.820 -0.362 0.000 2.089 498 A HA -0.165 4.156 4.320 0.001 0.000 0.265 498 A C -1.255 176.199 177.584 -0.216 0.000 1.315 498 A CA -0.114 51.696 52.037 -0.378 0.000 0.768 498 A CB -1.024 17.572 19.000 -0.673 0.000 1.112 498 A HN 0.419 nan 8.150 nan 0.000 0.336 499 P HA -0.167 nan 4.420 nan 0.000 0.215 499 P C 1.174 178.426 177.300 -0.081 0.000 1.153 499 P CA 1.828 64.865 63.100 -0.105 0.000 0.853 499 P CB 0.077 31.724 31.700 -0.088 0.000 0.788 500 E N -0.408 119.739 120.200 -0.088 0.000 2.051 500 E HA -0.150 4.201 4.350 0.001 0.000 0.192 500 E C 1.966 178.515 176.600 -0.085 0.000 0.991 500 E CA 0.716 57.072 56.400 -0.074 0.000 0.799 500 E CB -1.546 28.113 29.700 -0.069 0.000 0.748 500 E HN 0.120 nan 8.360 nan 0.000 0.449 501 L N 1.022 122.185 121.223 -0.100 0.000 2.017 501 L HA -0.085 4.255 4.340 0.001 0.000 0.208 501 L C 2.306 179.126 176.870 -0.084 0.000 1.073 501 L CA 1.703 56.481 54.840 -0.104 0.000 0.745 501 L CB -0.459 41.558 42.059 -0.070 0.000 0.894 501 L HN -0.023 nan 8.230 nan 0.000 0.432 502 R N 0.525 120.992 120.500 -0.056 0.000 2.117 502 R HA -0.120 4.221 4.340 0.001 0.000 0.243 502 R C 2.031 178.327 176.300 -0.005 0.000 1.143 502 R CA 1.931 58.026 56.100 -0.008 0.000 0.968 502 R CB -1.227 29.072 30.300 -0.001 0.000 0.863 502 R HN 0.510 nan 8.270 nan 0.000 0.444 503 A N 0.433 123.236 122.820 -0.028 0.000 1.930 503 A HA -0.089 4.232 4.320 0.001 0.000 0.217 503 A C 2.065 179.622 177.584 -0.045 0.000 1.175 503 A CA 1.521 53.546 52.037 -0.020 0.000 0.627 503 A CB -0.332 18.654 19.000 -0.024 0.000 0.815 503 A HN 0.409 nan 8.150 nan 0.000 0.443 504 K N -0.817 119.532 120.400 -0.085 0.000 2.097 504 K HA -0.053 4.268 4.320 0.001 0.000 0.206 504 K C 2.034 178.530 176.600 -0.173 0.000 1.049 504 K CA 1.656 57.864 56.287 -0.132 0.000 0.933 504 K CB -0.273 32.122 32.500 -0.175 0.000 0.717 504 K HN 0.498 nan 8.250 nan 0.000 0.442 505 M N 0.877 120.376 119.600 -0.168 0.000 2.117 505 M HA -0.184 4.296 4.480 0.001 0.000 0.262 505 M C 1.386 177.576 176.300 -0.184 0.000 1.065 505 M CA 1.416 56.598 55.300 -0.196 0.000 1.114 505 M CB -0.252 32.338 32.600 -0.016 0.000 1.361 505 M HN 0.049 nan 8.290 nan 0.000 0.408 506 D N 0.243 120.653 120.400 0.017 0.000 2.123 506 D HA -0.191 4.450 4.640 0.001 0.000 0.196 506 D C 1.858 178.196 176.300 0.064 0.000 0.992 506 D CA 1.369 55.447 54.000 0.129 0.000 0.833 506 D CB -0.375 40.500 40.800 0.124 0.000 0.954 506 D HN 0.310 nan 8.370 nan 0.000 0.455 507 E N 0.363 120.553 120.200 -0.017 0.000 2.153 507 E HA -0.124 4.226 4.350 0.001 0.000 0.194 507 E C 1.909 178.467 176.600 -0.070 0.000 0.988 507 E CA 0.271 56.658 56.400 -0.023 0.000 0.811 507 E CB -0.331 29.345 29.700 -0.041 0.000 0.746 507 E HN 0.173 nan 8.360 nan 0.000 0.466 508 L N -0.455 120.642 121.223 -0.209 0.000 1.989 508 L HA -0.095 4.246 4.340 0.001 0.000 0.211 508 L C 1.961 178.702 176.870 -0.216 0.000 1.071 508 L CA 2.040 56.682 54.840 -0.329 0.000 0.749 508 L CB -0.893 40.803 42.059 -0.604 0.000 0.890 508 L HN 0.322 nan 8.230 nan 0.000 0.431 509 W N 0.049 121.365 121.300 0.028 0.000 2.358 509 W HA -0.192 4.469 4.660 0.001 0.000 0.303 509 W C 2.393 178.994 176.519 0.136 0.000 1.208 509 W CA 1.011 58.394 57.345 0.062 0.000 1.274 509 W CB -0.679 28.874 29.460 0.156 0.000 1.138 509 W HN 0.284 nan 8.180 nan 0.000 0.515 510 N N 0.571 119.450 118.700 0.299 0.000 2.069 510 N HA -0.181 4.559 4.740 0.001 0.000 0.191 510 N C 1.631 177.234 175.510 0.154 0.000 1.031 510 N CA 1.471 54.641 53.050 0.200 0.000 0.852 510 N CB -0.273 38.291 38.487 0.128 0.000 1.018 510 N HN 0.150 nan 8.380 nan 0.000 0.423 511 K N 0.811 121.272 120.400 0.101 0.000 2.025 511 K HA -0.061 4.260 4.320 0.001 0.000 0.207 511 K C 2.068 178.733 176.600 0.108 0.000 1.049 511 K CA 0.888 57.218 56.287 0.072 0.000 0.933 511 K CB -0.211 32.299 32.500 0.017 0.000 0.714 511 K HN 0.171 nan 8.250 nan 0.000 0.438 512 L N 1.142 122.445 121.223 0.132 0.000 2.046 512 L HA -0.183 4.157 4.340 0.001 0.000 0.208 512 L C 2.561 179.640 176.870 0.348 0.000 1.077 512 L CA 1.486 56.438 54.840 0.186 0.000 0.747 512 L CB -0.622 41.464 42.059 0.045 0.000 0.896 512 L HN 0.263 nan 8.230 nan 0.000 0.432 513 S N -1.966 114.007 115.700 0.454 0.000 2.474 513 S HA -0.088 4.382 4.470 0.001 0.000 0.235 513 S C 1.748 176.450 174.600 0.171 0.000 0.997 513 S CA 1.046 59.440 58.200 0.323 0.000 0.949 513 S CB -0.180 63.185 63.200 0.276 0.000 0.766 513 S HN 0.282 nan 8.310 nan 0.000 0.517 514 S N 1.468 117.258 115.700 0.150 0.000 2.575 514 S HA 0.223 4.693 4.470 0.001 0.000 0.215 514 S C 0.147 174.797 174.600 0.082 0.000 0.966 514 S CA -0.299 57.959 58.200 0.096 0.000 0.911 514 S CB -0.249 63.000 63.200 0.081 0.000 0.780 514 S HN 0.678 nan 8.310 nan 0.000 0.514 515 K N 1.190 121.651 120.400 0.101 0.000 3.035 515 K HA -0.212 4.109 4.320 0.001 0.000 0.262 515 K C -0.680 175.957 176.600 0.060 0.000 1.024 515 K CA 0.689 57.024 56.287 0.081 0.000 0.748 515 K CB -1.905 30.633 32.500 0.063 0.000 1.247 515 K HN 0.487 nan 8.250 nan 0.000 0.482 516 E N 1.400 121.636 120.200 0.060 0.000 2.301 516 E HA 0.074 4.425 4.350 0.001 0.000 0.275 516 E C -0.150 176.470 176.600 0.034 0.000 1.030 516 E CA -0.775 55.650 56.400 0.042 0.000 0.852 516 E CB 0.761 30.483 29.700 0.038 0.000 1.060 516 E HN 0.087 nan 8.360 nan 0.000 0.401 517 D N 1.738 122.153 120.400 0.025 0.000 2.472 517 D HA -0.029 4.612 4.640 0.001 0.000 0.248 517 D C -0.285 176.020 176.300 0.008 0.000 1.174 517 D CA 0.255 54.266 54.000 0.019 0.000 0.883 517 D CB 0.943 41.752 40.800 0.016 0.000 1.149 517 D HN 0.518 nan 8.370 nan 0.000 0.488 518 A N 3.223 126.045 122.820 0.003 0.000 2.430 518 A HA 0.085 4.405 4.320 0.001 0.000 0.243 518 A C 2.064 179.637 177.584 -0.018 0.000 1.254 518 A CA -0.197 51.828 52.037 -0.019 0.000 0.914 518 A CB 0.279 19.256 19.000 -0.040 0.000 0.998 518 A HN 0.521 nan 8.150 nan 0.000 0.515 519 S N 0.529 116.230 115.700 0.003 0.000 2.372 519 S HA -0.224 4.247 4.470 0.001 0.000 0.227 519 S C 2.314 176.922 174.600 0.012 0.000 1.044 519 S CA 1.771 59.982 58.200 0.017 0.000 1.050 519 S CB -0.237 62.975 63.200 0.021 0.000 0.901 519 S HN 0.842 nan 8.310 nan 0.000 0.447 520 A N 0.713 123.531 122.820 -0.004 0.000 1.897 520 A HA 0.033 4.353 4.320 0.001 0.000 0.215 520 A C 2.080 179.645 177.584 -0.033 0.000 1.181 520 A CA 1.161 53.191 52.037 -0.012 0.000 0.620 520 A CB -0.614 18.376 19.000 -0.016 0.000 0.821 520 A HN 0.418 nan 8.150 nan 0.000 0.443 521 L N 0.066 121.257 121.223 -0.053 0.000 2.083 521 L HA -0.074 4.267 4.340 0.001 0.000 0.209 521 L C 2.171 178.969 176.870 -0.121 0.000 1.083 521 L CA 1.540 56.322 54.840 -0.096 0.000 0.752 521 L CB -0.483 41.510 42.059 -0.110 0.000 0.899 521 L HN 0.435 nan 8.230 nan 0.000 0.433 522 I N -0.600 119.920 120.570 -0.084 0.000 2.179 522 I HA -0.286 3.884 4.170 0.001 0.000 0.242 522 I C 2.478 178.597 176.117 0.003 0.000 1.088 522 I CA 1.455 62.703 61.300 -0.087 0.000 1.357 522 I CB -0.258 37.734 38.000 -0.014 0.000 1.051 522 I HN 0.307 nan 8.210 nan 0.000 0.409 523 E N 1.216 121.469 120.200 0.089 0.000 2.085 523 E HA -0.294 4.056 4.350 0.001 0.000 0.194 523 E C 1.997 178.627 176.600 0.049 0.000 0.994 523 E CA 1.680 58.169 56.400 0.150 0.000 0.801 523 E CB -0.136 29.608 29.700 0.072 0.000 0.743 523 E HN 0.436 nan 8.360 nan 0.000 0.453 524 E N -0.280 119.892 120.200 -0.046 0.000 2.085 524 E HA -0.194 4.156 4.350 0.001 0.000 0.194 524 E C 2.095 178.559 176.600 -0.227 0.000 0.994 524 E CA 1.336 57.668 56.400 -0.113 0.000 0.801 524 E CB -0.167 29.461 29.700 -0.121 0.000 0.743 524 E HN 0.342 nan 8.360 nan 0.000 0.453 525 L N -0.282 120.736 121.223 -0.340 0.000 2.093 525 L HA -0.163 4.177 4.340 0.001 0.000 0.208 525 L C 2.313 178.717 176.870 -0.776 0.000 1.085 525 L CA 1.021 55.432 54.840 -0.715 0.000 0.755 525 L CB -0.507 41.122 42.059 -0.716 0.000 0.904 525 L HN 0.264 nan 8.230 nan 0.000 0.435 526 Y N 0.281 120.414 120.300 -0.277 0.000 2.193 526 Y HA -0.271 4.279 4.550 0.001 0.000 0.285 526 Y C 2.586 178.412 175.900 -0.122 0.000 1.166 526 Y CA 1.128 59.179 58.100 -0.082 0.000 1.181 526 Y CB -0.603 37.852 38.460 -0.008 0.000 0.976 526 Y HN 0.199 nan 8.280 nan 0.000 0.520 527 G N -0.563 108.233 108.800 -0.008 0.000 2.421 527 G HA2 -0.291 3.669 3.960 0.001 0.000 0.216 527 G HA3 -0.291 3.669 3.960 0.001 0.000 0.216 527 G C 1.392 176.233 174.900 -0.098 0.000 1.171 527 G CA 1.171 46.246 45.100 -0.042 0.000 0.775 527 G HN 0.274 nan 8.290 nan 0.000 0.543 528 E N 0.124 120.170 120.200 -0.257 0.000 2.077 528 E HA -0.058 4.293 4.350 0.001 0.000 0.193 528 E C 2.139 178.668 176.600 -0.118 0.000 0.989 528 E CA 0.860 57.101 56.400 -0.266 0.000 0.800 528 E CB -0.304 29.096 29.700 -0.500 0.000 0.746 528 E HN 0.442 nan 8.360 nan 0.000 0.452 529 F N -0.184 119.753 119.950 -0.021 0.000 2.234 529 F HA 0.149 4.677 4.527 0.001 0.000 0.296 529 F C 2.220 178.030 175.800 0.015 0.000 1.089 529 F CA 0.744 58.733 58.000 -0.017 0.000 1.343 529 F CB -1.190 37.796 39.000 -0.024 0.000 1.040 529 F HN 0.053 nan 8.300 nan 0.000 0.498 530 A N 0.189 123.123 122.820 0.190 0.000 1.933 530 A HA -0.195 4.126 4.320 0.001 0.000 0.218 530 A C 2.283 179.913 177.584 0.077 0.000 1.175 530 A CA 1.744 53.853 52.037 0.120 0.000 0.628 530 A CB -0.640 18.415 19.000 0.092 0.000 0.814 530 A HN 0.227 nan 8.150 nan 0.000 0.444 531 R N -0.255 120.280 120.500 0.059 0.000 2.081 531 R HA -0.019 4.321 4.340 0.001 0.000 0.235 531 R C 1.957 178.294 176.300 0.062 0.000 1.131 531 R CA 2.157 58.285 56.100 0.046 0.000 0.960 531 R CB -0.685 29.632 30.300 0.028 0.000 0.856 531 R HN 0.551 nan 8.270 nan 0.000 0.436 532 M N -0.101 119.549 119.600 0.083 0.000 2.086 532 M HA -0.139 4.342 4.480 0.001 0.000 0.261 532 M C 2.270 178.601 176.300 0.050 0.000 1.067 532 M CA 2.217 57.560 55.300 0.072 0.000 1.116 532 M CB -0.347 32.280 32.600 0.046 0.000 1.348 532 M HN 0.285 nan 8.290 nan 0.000 0.407 533 E N 0.332 120.564 120.200 0.053 0.000 2.051 533 E HA -0.239 4.112 4.350 0.001 0.000 0.192 533 E C 2.052 178.664 176.600 0.019 0.000 0.991 533 E CA 1.170 57.589 56.400 0.032 0.000 0.799 533 E CB -0.025 29.701 29.700 0.042 0.000 0.748 533 E HN 0.381 nan 8.360 nan 0.000 0.449 534 E N 0.384 120.599 120.200 0.026 0.000 2.051 534 E HA -0.222 4.129 4.350 0.001 0.000 0.192 534 E C 1.968 178.571 176.600 0.005 0.000 0.991 534 E CA 1.146 57.554 56.400 0.013 0.000 0.799 534 E CB -0.185 29.525 29.700 0.016 0.000 0.748 534 E HN 0.316 nan 8.360 nan 0.000 0.449 535 A N 0.810 123.641 122.820 0.017 0.000 1.892 535 A HA -0.238 4.082 4.320 0.001 0.000 0.218 535 A C 2.661 180.234 177.584 -0.018 0.000 1.188 535 A CA 1.796 53.841 52.037 0.014 0.000 0.631 535 A CB -1.125 17.905 19.000 0.050 0.000 0.822 535 A HN 0.507 nan 8.150 nan 0.000 0.447 536 C N -0.505 118.783 119.300 -0.020 0.000 2.440 536 C HA -0.059 4.402 4.460 0.001 0.000 0.278 536 C C 2.673 177.605 174.990 -0.098 0.000 1.295 536 C CA 0.994 59.959 59.018 -0.088 0.000 1.738 536 C CB -1.458 26.246 27.740 -0.060 0.000 1.987 536 C HN 0.630 nan 8.230 nan 0.000 0.492 537 N N 1.314 119.981 118.700 -0.055 0.000 2.188 537 N HA -0.112 4.628 4.740 0.001 0.000 0.184 537 N C 1.502 176.981 175.510 -0.050 0.000 1.018 537 N CA 1.189 54.210 53.050 -0.049 0.000 0.858 537 N CB -0.640 37.830 38.487 -0.028 0.000 0.989 537 N HN 0.527 nan 8.380 nan 0.000 0.426 538 N N 0.972 119.647 118.700 -0.042 0.000 2.244 538 N HA 0.016 4.756 4.740 0.001 0.000 0.183 538 N C 1.753 177.232 175.510 -0.052 0.000 1.016 538 N CA 0.517 53.544 53.050 -0.038 0.000 0.866 538 N CB -0.107 38.365 38.487 -0.024 0.000 0.980 538 N HN 0.191 nan 8.380 nan 0.000 0.430 539 L N 0.178 121.351 121.223 -0.083 0.000 2.056 539 L HA -0.083 4.258 4.340 0.001 0.000 0.207 539 L C 2.213 179.014 176.870 -0.115 0.000 1.078 539 L CA 1.024 55.797 54.840 -0.112 0.000 0.749 539 L CB -0.294 41.643 42.059 -0.203 0.000 0.901 539 L HN 0.110 nan 8.230 nan 0.000 0.433 540 K N 0.172 120.498 120.400 -0.124 0.000 2.063 540 K HA -0.170 4.150 4.320 0.001 0.000 0.208 540 K C 2.204 178.764 176.600 -0.066 0.000 1.048 540 K CA 1.498 57.725 56.287 -0.100 0.000 0.928 540 K CB -0.265 32.181 32.500 -0.091 0.000 0.713 540 K HN 0.306 nan 8.250 nan 0.000 0.442 541 A N 1.184 123.971 122.820 -0.054 0.000 1.929 541 A HA -0.078 4.242 4.320 0.001 0.000 0.216 541 A C 1.603 179.167 177.584 -0.035 0.000 1.176 541 A CA 1.327 53.340 52.037 -0.039 0.000 0.628 541 A CB -0.028 18.953 19.000 -0.032 0.000 0.816 541 A HN 0.217 nan 8.150 nan 0.000 0.444 542 N N -1.244 117.435 118.700 -0.034 0.000 2.239 542 N HA 0.214 4.954 4.740 0.001 0.000 0.208 542 N C -0.088 175.412 175.510 -0.017 0.000 1.200 542 N CA -0.148 52.888 53.050 -0.024 0.000 0.895 542 N CB 0.291 38.768 38.487 -0.017 0.000 1.085 542 N HN 0.309 nan 8.380 nan 0.000 0.500 543 L N 3.851 125.063 121.223 -0.018 0.000 2.525 543 L HA 0.067 4.407 4.340 0.001 0.000 0.278 543 L C -1.704 175.156 176.870 -0.017 0.000 1.218 543 L CA -0.894 53.947 54.840 0.002 0.000 0.878 543 L CB 0.062 42.120 42.059 -0.002 0.000 1.127 543 L HN -0.088 nan 8.230 nan 0.000 0.492 544 P HA -0.051 nan 4.420 nan 0.000 0.268 544 P C 0.322 177.599 177.300 -0.038 0.000 1.208 544 P CA -0.122 62.954 63.100 -0.041 0.000 0.777 544 P CB 0.670 32.330 31.700 -0.067 0.000 0.875 545 E N 1.185 121.362 120.200 -0.039 0.000 2.118 545 E HA -0.156 4.194 4.350 0.001 0.000 0.195 545 E C 1.674 178.252 176.600 -0.037 0.000 0.992 545 E CA 1.096 57.475 56.400 -0.035 0.000 0.804 545 E CB -0.046 29.636 29.700 -0.031 0.000 0.741 545 E HN 0.184 nan 8.360 nan 0.000 0.458 546 V N 0.550 120.435 119.914 -0.048 0.000 2.453 546 V HA -0.286 3.835 4.120 0.001 0.000 0.252 546 V C 2.047 178.112 176.094 -0.048 0.000 1.068 546 V CA 2.282 64.548 62.300 -0.057 0.000 1.070 546 V CB -0.301 31.471 31.823 -0.085 0.000 0.664 546 V HN 0.413 nan 8.190 nan 0.000 0.461 547 A N -0.837 121.961 122.820 -0.037 0.000 1.887 547 A HA 0.036 4.357 4.320 0.001 0.000 0.212 547 A C 2.004 179.584 177.584 -0.006 0.000 1.198 547 A CA 1.203 53.243 52.037 0.004 0.000 0.628 547 A CB -0.665 18.380 19.000 0.074 0.000 0.847 547 A HN 0.499 nan 8.150 nan 0.000 0.449 548 L N 1.388 122.597 121.223 -0.023 0.000 2.081 548 L HA -0.240 4.100 4.340 0.001 0.000 0.212 548 L C 2.434 179.274 176.870 -0.050 0.000 1.080 548 L CA 2.851 57.661 54.840 -0.050 0.000 0.754 548 L CB -0.684 41.344 42.059 -0.053 0.000 0.893 548 L HN 0.695 nan 8.230 nan 0.000 0.433 549 E N -1.229 118.950 120.200 -0.035 0.000 2.265 549 E HA -0.247 4.103 4.350 0.001 0.000 0.196 549 E C 1.590 178.171 176.600 -0.032 0.000 0.996 549 E CA 1.540 57.925 56.400 -0.025 0.000 0.832 549 E CB -0.443 29.251 29.700 -0.009 0.000 0.756 549 E HN 0.695 nan 8.360 nan 0.000 0.491 550 E N 0.051 120.216 120.200 -0.058 0.000 2.318 550 E HA -0.019 4.332 4.350 0.001 0.000 0.193 550 E C 1.596 178.073 176.600 -0.206 0.000 0.998 550 E CA 0.966 57.270 56.400 -0.159 0.000 0.859 550 E CB 0.413 30.028 29.700 -0.141 0.000 0.812 550 E HN 0.580 nan 8.360 nan 0.000 0.492 551 C N -0.909 118.335 119.300 -0.092 0.000 3.525 551 C HA 0.320 4.781 4.460 0.001 0.000 0.289 551 C C 2.513 177.463 174.990 -0.066 0.000 1.496 551 C CA -0.139 58.857 59.018 -0.038 0.000 1.804 551 C CB -0.614 27.151 27.740 0.042 0.000 2.708 551 C HN 0.237 nan 8.230 nan 0.000 0.642 552 S N 2.541 118.200 115.700 -0.068 0.000 2.370 552 S HA -0.228 4.242 4.470 0.001 0.000 0.226 552 S C 1.948 176.525 174.600 -0.039 0.000 1.033 552 S CA 1.464 59.620 58.200 -0.073 0.000 1.011 552 S CB -0.583 62.586 63.200 -0.053 0.000 0.852 552 S HN 0.767 nan 8.310 nan 0.000 0.457 553 R N 0.871 121.377 120.500 0.010 0.000 2.092 553 R HA 0.034 4.375 4.340 0.001 0.000 0.231 553 R C 2.688 179.027 176.300 0.064 0.000 1.119 553 R CA 1.564 57.693 56.100 0.049 0.000 0.970 553 R CB -0.335 30.031 30.300 0.110 0.000 0.864 553 R HN 0.451 nan 8.270 nan 0.000 0.440 554 Q N 0.096 119.954 119.800 0.097 0.000 2.172 554 Q HA -0.052 4.288 4.340 0.001 0.000 0.200 554 Q C 1.815 177.962 176.000 0.245 0.000 0.964 554 Q CA 0.833 56.748 55.803 0.187 0.000 0.855 554 Q CB -0.010 28.904 28.738 0.294 0.000 0.918 554 Q HN 0.112 nan 8.270 nan 0.000 0.444 555 L N 0.829 122.067 121.223 0.024 0.000 2.017 555 L HA -0.184 4.157 4.340 0.001 0.000 0.208 555 L C 1.499 178.345 176.870 -0.040 0.000 1.073 555 L CA 1.839 56.582 54.840 -0.162 0.000 0.745 555 L CB -1.029 40.804 42.059 -0.377 0.000 0.894 555 L HN 0.226 nan 8.230 nan 0.000 0.432 556 D N -0.777 119.607 120.400 -0.026 0.000 2.144 556 D HA -0.156 4.485 4.640 0.001 0.000 0.199 556 D C 2.176 178.483 176.300 0.011 0.000 0.984 556 D CA 0.659 54.653 54.000 -0.011 0.000 0.834 556 D CB 0.142 40.938 40.800 -0.007 0.000 0.955 556 D HN 0.303 nan 8.370 nan 0.000 0.465 557 E N 0.295 120.516 120.200 0.034 0.000 2.038 557 E HA -0.158 4.192 4.350 0.001 0.000 0.195 557 E C 2.188 178.804 176.600 0.027 0.000 1.000 557 E CA 0.428 56.848 56.400 0.033 0.000 0.803 557 E CB -0.300 29.427 29.700 0.044 0.000 0.750 557 E HN 0.187 nan 8.360 nan 0.000 0.448 558 L N 1.077 122.335 121.223 0.060 0.000 2.083 558 L HA -0.131 4.210 4.340 0.001 0.000 0.209 558 L C 2.249 179.112 176.870 -0.012 0.000 1.083 558 L CA 1.183 56.037 54.840 0.023 0.000 0.752 558 L CB -0.383 41.735 42.059 0.098 0.000 0.899 558 L HN 0.095 nan 8.230 nan 0.000 0.433 559 I N -1.372 119.200 120.570 0.002 0.000 2.142 559 I HA -0.344 3.827 4.170 0.001 0.000 0.240 559 I C 2.245 178.354 176.117 -0.013 0.000 1.078 559 I CA 1.777 63.073 61.300 -0.007 0.000 1.343 559 I CB -0.661 37.333 38.000 -0.010 0.000 1.046 559 I HN 0.234 nan 8.210 nan 0.000 0.405 560 T N 1.317 115.865 114.554 -0.011 0.000 2.665 560 T HA -0.183 4.167 4.350 0.001 0.000 0.268 560 T C 1.932 176.615 174.700 -0.028 0.000 1.035 560 T CA 1.404 63.496 62.100 -0.014 0.000 1.151 560 T CB -0.337 68.527 68.868 -0.007 0.000 0.862 560 T HN 0.239 nan 8.240 nan 0.000 0.438 561 L N 0.487 121.689 121.223 -0.035 0.000 2.056 561 L HA -0.069 4.272 4.340 0.001 0.000 0.207 561 L C 3.028 179.831 176.870 -0.112 0.000 1.078 561 L CA 1.150 55.956 54.840 -0.057 0.000 0.749 561 L CB -0.650 41.381 42.059 -0.047 0.000 0.901 561 L HN 0.253 nan 8.230 nan 0.000 0.433 562 A N -0.435 122.326 122.820 -0.100 0.000 1.933 562 A HA -0.245 4.076 4.320 0.001 0.000 0.218 562 A C 2.192 179.715 177.584 -0.101 0.000 1.175 562 A CA 1.495 53.466 52.037 -0.109 0.000 0.628 562 A CB -0.392 18.606 19.000 -0.003 0.000 0.814 562 A HN 0.480 nan 8.150 nan 0.000 0.444 563 Q N -0.872 118.900 119.800 -0.047 0.000 2.119 563 Q HA -0.060 4.281 4.340 0.001 0.000 0.201 563 Q C 2.186 178.162 176.000 -0.041 0.000 0.972 563 Q CA 1.073 56.865 55.803 -0.018 0.000 0.847 563 Q CB -0.377 28.359 28.738 -0.003 0.000 0.903 563 Q HN 0.675 nan 8.270 nan 0.000 0.433 564 G N 0.958 109.718 108.800 -0.066 0.000 2.408 564 G HA2 -0.239 3.722 3.960 0.001 0.000 0.217 564 G HA3 -0.239 3.722 3.960 0.001 0.000 0.217 564 G C 0.863 175.703 174.900 -0.099 0.000 1.150 564 G CA 0.886 45.949 45.100 -0.063 0.000 0.776 564 G HN 0.212 nan 8.290 nan 0.000 0.542 565 D N 0.397 120.654 120.400 -0.238 0.000 2.097 565 D HA -0.077 4.563 4.640 0.001 0.000 0.195 565 D C 2.324 178.390 176.300 -0.391 0.000 0.989 565 D CA 0.757 54.455 54.000 -0.504 0.000 0.827 565 D CB -0.111 39.759 40.800 -1.550 0.000 0.966 565 D HN 0.167 nan 8.370 nan 0.000 0.456 566 K N 1.317 121.587 120.400 -0.216 0.000 2.026 566 K HA -0.061 4.260 4.320 0.001 0.000 0.208 566 K C 1.898 178.575 176.600 0.129 0.000 1.048 566 K CA 1.277 57.633 56.287 0.114 0.000 0.929 566 K CB -0.305 32.324 32.500 0.215 0.000 0.713 566 K HN 0.031 nan 8.250 nan 0.000 0.439 567 A N 0.598 123.455 122.820 0.061 0.000 1.972 567 A HA -0.099 4.222 4.320 0.001 0.000 0.219 567 A C 2.296 179.905 177.584 0.043 0.000 1.169 567 A CA 1.967 54.038 52.037 0.057 0.000 0.635 567 A CB -0.452 18.556 19.000 0.014 0.000 0.810 567 A HN 0.402 nan 8.150 nan 0.000 0.446 568 S N -0.116 115.598 115.700 0.024 0.000 2.368 568 S HA -0.061 4.410 4.470 0.001 0.000 0.224 568 S C 1.809 176.446 174.600 0.061 0.000 1.029 568 S CA 1.306 59.513 58.200 0.012 0.000 0.988 568 S CB -0.431 62.736 63.200 -0.055 0.000 0.838 568 S HN 0.543 nan 8.310 nan 0.000 0.462 569 L N 1.453 122.729 121.223 0.088 0.000 2.042 569 L HA -0.187 4.154 4.340 0.001 0.000 0.210 569 L C 2.143 179.072 176.870 0.098 0.000 1.076 569 L CA 1.190 56.029 54.840 -0.002 0.000 0.749 569 L CB -0.794 41.022 42.059 -0.404 0.000 0.893 569 L HN 0.202 nan 8.230 nan 0.000 0.432 570 D N -0.299 120.209 120.400 0.179 0.000 2.123 570 D HA -0.207 4.434 4.640 0.001 0.000 0.196 570 D C 2.322 178.722 176.300 0.167 0.000 0.992 570 D CA 1.243 55.376 54.000 0.221 0.000 0.833 570 D CB -0.105 40.805 40.800 0.183 0.000 0.954 570 D HN 0.250 nan 8.370 nan 0.000 0.455 571 M N -0.063 119.617 119.600 0.134 0.000 2.065 571 M HA -0.171 4.310 4.480 0.001 0.000 0.259 571 M C 2.316 178.777 176.300 0.268 0.000 1.071 571 M CA 1.291 56.705 55.300 0.190 0.000 1.109 571 M CB -0.325 32.344 32.600 0.115 0.000 1.313 571 M HN 0.020 nan 8.290 nan 0.000 0.408 572 I N -0.561 120.116 120.570 0.179 0.000 2.163 572 I HA -0.298 3.872 4.170 0.001 0.000 0.243 572 I C 2.283 178.475 176.117 0.126 0.000 1.085 572 I CA 1.228 62.610 61.300 0.137 0.000 1.347 572 I CB -0.506 37.532 38.000 0.063 0.000 1.044 572 I HN 0.091 nan 8.210 nan 0.000 0.408 573 V N 0.986 120.981 119.914 0.135 0.000 2.407 573 V HA -0.300 3.821 4.120 0.001 0.000 0.248 573 V C 2.689 178.858 176.094 0.125 0.000 1.055 573 V CA 1.951 64.331 62.300 0.133 0.000 1.049 573 V CB -1.045 30.886 31.823 0.180 0.000 0.662 573 V HN 0.515 nan 8.190 nan 0.000 0.455 574 A N -0.919 121.994 122.820 0.154 0.000 1.902 574 A HA -0.256 4.064 4.320 0.001 0.000 0.217 574 A C 2.204 179.855 177.584 0.112 0.000 1.181 574 A CA 1.737 53.865 52.037 0.151 0.000 0.623 574 A CB -0.412 18.718 19.000 0.217 0.000 0.818 574 A HN 0.606 nan 8.150 nan 0.000 0.443 575 Q N -0.539 119.324 119.800 0.105 0.000 2.079 575 Q HA -0.069 4.271 4.340 0.001 0.000 0.200 575 Q C 2.102 178.120 176.000 0.030 0.000 0.974 575 Q CA 1.247 57.055 55.803 0.008 0.000 0.840 575 Q CB -0.311 28.417 28.738 -0.016 0.000 0.898 575 Q HN 0.682 nan 8.270 nan 0.000 0.430 576 L N 0.978 122.236 121.223 0.059 0.000 2.127 576 L HA -0.199 4.141 4.340 0.001 0.000 0.211 576 L C 1.488 178.384 176.870 0.044 0.000 1.089 576 L CA 0.799 55.670 54.840 0.053 0.000 0.757 576 L CB -0.292 41.802 42.059 0.059 0.000 0.899 576 L HN 0.223 nan 8.230 nan 0.000 0.434 577 N N -0.066 118.663 118.700 0.049 0.000 2.336 577 N HA -0.023 4.717 4.740 0.001 0.000 0.189 577 N C -0.089 175.441 175.510 0.034 0.000 1.113 577 N CA 0.144 53.220 53.050 0.043 0.000 0.858 577 N CB 0.225 38.743 38.487 0.052 0.000 0.970 577 N HN 0.213 nan 8.380 nan 0.000 0.471 578 E N 0.716 120.931 120.200 0.024 0.000 2.360 578 E HA -0.204 4.147 4.350 0.001 0.000 0.238 578 E C -0.897 175.719 176.600 0.025 0.000 1.186 578 E CA 0.367 56.773 56.400 0.010 0.000 0.719 578 E CB -0.989 28.714 29.700 0.005 0.000 1.236 578 E HN 0.237 nan 8.360 nan 0.000 0.386 579 D N 0.211 120.640 120.400 0.048 0.000 2.467 579 D HA 0.089 4.729 4.640 0.001 0.000 0.220 579 D C 1.194 177.554 176.300 0.100 0.000 1.103 579 D CA 0.323 54.362 54.000 0.066 0.000 0.886 579 D CB 0.754 41.597 40.800 0.071 0.000 1.025 579 D HN 0.167 nan 8.370 nan 0.000 0.514 580 T N 0.915 115.520 114.554 0.084 0.000 2.867 580 T HA -0.156 4.194 4.350 0.001 0.000 0.268 580 T C 1.564 176.361 174.700 0.162 0.000 1.057 580 T CA 0.825 62.999 62.100 0.123 0.000 1.136 580 T CB 0.110 69.023 68.868 0.075 0.000 0.874 580 T HN 0.265 nan 8.240 nan 0.000 0.466 581 E N 1.690 121.953 120.200 0.104 0.000 2.072 581 E HA 0.179 4.530 4.350 0.001 0.000 0.190 581 E C 2.340 178.989 176.600 0.081 0.000 0.982 581 E CA 1.023 57.471 56.400 0.080 0.000 0.803 581 E CB -0.622 29.111 29.700 0.054 0.000 0.755 581 E HN 0.601 nan 8.360 nan 0.000 0.453 582 A N -0.386 122.491 122.820 0.096 0.000 1.969 582 A HA -0.159 4.161 4.320 0.001 0.000 0.218 582 A C 2.060 179.714 177.584 0.115 0.000 1.169 582 A CA 1.328 53.420 52.037 0.091 0.000 0.635 582 A CB -0.799 18.256 19.000 0.091 0.000 0.810 582 A HN 0.513 nan 8.150 nan 0.000 0.445 583 Y N 0.769 121.092 120.300 0.038 0.000 2.200 583 Y HA -0.152 4.399 4.550 0.001 0.000 0.290 583 Y C 2.223 178.143 175.900 0.032 0.000 1.137 583 Y CA 2.046 60.170 58.100 0.039 0.000 1.163 583 Y CB -0.029 38.455 38.460 0.039 0.000 0.988 583 Y HN 0.302 nan 8.280 nan 0.000 0.518 584 E N -0.287 119.880 120.200 -0.056 0.000 2.072 584 E HA -0.122 4.229 4.350 0.001 0.000 0.190 584 E C 2.379 178.903 176.600 -0.127 0.000 0.982 584 E CA 1.272 57.589 56.400 -0.138 0.000 0.803 584 E CB -0.329 29.380 29.700 0.014 0.000 0.755 584 E HN 0.439 nan 8.360 nan 0.000 0.453 585 S N 0.972 116.637 115.700 -0.057 0.000 2.383 585 S HA -0.080 4.390 4.470 0.001 0.000 0.227 585 S C 2.049 176.616 174.600 -0.056 0.000 1.026 585 S CA 0.976 59.151 58.200 -0.040 0.000 0.981 585 S CB -0.051 63.146 63.200 -0.005 0.000 0.818 585 S HN 0.369 nan 8.310 nan 0.000 0.472 586 A N 1.676 124.455 122.820 -0.068 0.000 1.897 586 A HA -0.036 4.285 4.320 0.001 0.000 0.215 586 A C 2.002 179.513 177.584 -0.123 0.000 1.181 586 A CA 1.569 53.571 52.037 -0.058 0.000 0.620 586 A CB -0.445 18.552 19.000 -0.006 0.000 0.821 586 A HN 0.453 nan 8.150 nan 0.000 0.443 587 K N 0.029 120.275 120.400 -0.258 0.000 2.057 587 K HA -0.221 4.100 4.320 0.001 0.000 0.207 587 K C 2.039 178.545 176.600 -0.158 0.000 1.049 587 K CA 1.732 57.850 56.287 -0.281 0.000 0.931 587 K CB -0.207 31.983 32.500 -0.517 0.000 0.714 587 K HN 0.601 nan 8.250 nan 0.000 0.440 588 E N 0.591 120.712 120.200 -0.131 0.000 2.070 588 E HA -0.232 4.118 4.350 0.001 0.000 0.197 588 E C 1.939 178.506 176.600 -0.056 0.000 1.004 588 E CA 1.835 58.189 56.400 -0.076 0.000 0.805 588 E CB -0.134 29.531 29.700 -0.059 0.000 0.744 588 E HN 0.407 nan 8.360 nan 0.000 0.451 589 I N 0.871 121.411 120.570 -0.050 0.000 2.202 589 I HA -0.250 3.921 4.170 0.001 0.000 0.242 589 I C 2.673 178.769 176.117 -0.034 0.000 1.091 589 I CA 0.990 62.271 61.300 -0.032 0.000 1.368 589 I CB -0.456 37.533 38.000 -0.018 0.000 1.058 589 I HN 0.201 nan 8.210 nan 0.000 0.410 590 A N 0.336 123.129 122.820 -0.045 0.000 1.892 590 A HA -0.330 3.990 4.320 0.001 0.000 0.218 590 A C 2.262 179.821 177.584 -0.042 0.000 1.188 590 A CA 2.337 54.347 52.037 -0.045 0.000 0.631 590 A CB -0.757 18.208 19.000 -0.057 0.000 0.822 590 A HN 0.447 nan 8.150 nan 0.000 0.447 591 Q N 0.126 119.897 119.800 -0.049 0.000 2.079 591 Q HA -0.139 4.201 4.340 0.001 0.000 0.200 591 Q C 1.770 177.753 176.000 -0.028 0.000 0.974 591 Q CA 2.046 57.826 55.803 -0.039 0.000 0.840 591 Q CB -0.303 28.408 28.738 -0.044 0.000 0.898 591 Q HN 0.665 nan 8.270 nan 0.000 0.430 592 N N -0.228 118.456 118.700 -0.027 0.000 2.188 592 N HA -0.107 4.634 4.740 0.001 0.000 0.184 592 N C 1.323 176.824 175.510 -0.015 0.000 1.018 592 N CA 0.941 53.980 53.050 -0.019 0.000 0.858 592 N CB -0.036 38.441 38.487 -0.017 0.000 0.989 592 N HN 0.167 nan 8.380 nan 0.000 0.426 593 K N 1.040 121.429 120.400 -0.018 0.000 2.025 593 K HA -0.040 4.280 4.320 0.001 0.000 0.207 593 K C 2.014 178.606 176.600 -0.015 0.000 1.049 593 K CA 0.314 56.591 56.287 -0.017 0.000 0.933 593 K CB -0.819 31.668 32.500 -0.022 0.000 0.714 593 K HN 0.125 nan 8.250 nan 0.000 0.438 594 L N 2.318 123.531 121.223 -0.017 0.000 2.012 594 L HA -0.205 4.136 4.340 0.001 0.000 0.210 594 L C 1.576 178.442 176.870 -0.006 0.000 1.073 594 L CA 1.850 56.684 54.840 -0.011 0.000 0.748 594 L CB -0.734 41.317 42.059 -0.013 0.000 0.891 594 L HN 0.126 nan 8.230 nan 0.000 0.431 595 N N -1.026 117.669 118.700 -0.008 0.000 2.188 595 N HA -0.140 4.601 4.740 0.001 0.000 0.184 595 N C 1.749 177.259 175.510 -0.001 0.000 1.018 595 N CA 1.740 54.787 53.050 -0.004 0.000 0.858 595 N CB -0.681 37.802 38.487 -0.006 0.000 0.989 595 N HN 0.412 nan 8.380 nan 0.000 0.426 596 T N 0.946 115.499 114.554 -0.002 0.000 2.684 596 T HA -0.124 4.227 4.350 0.001 0.000 0.267 596 T C 1.930 176.633 174.700 0.004 0.000 1.036 596 T CA 1.594 63.695 62.100 0.002 0.000 1.148 596 T CB -0.415 68.453 68.868 -0.000 0.000 0.863 596 T HN 0.356 nan 8.240 nan 0.000 0.436 597 A N 1.163 123.983 122.820 0.001 0.000 1.877 597 A HA -0.003 4.318 4.320 0.001 0.000 0.216 597 A C 2.322 179.905 177.584 -0.002 0.000 1.186 597 A CA 1.282 53.319 52.037 0.000 0.000 0.620 597 A CB -0.876 18.124 19.000 -0.000 0.000 0.822 597 A HN 0.492 nan 8.150 nan 0.000 0.443 598 L N -0.231 120.993 121.223 0.001 0.000 2.083 598 L HA -0.152 4.188 4.340 0.001 0.000 0.209 598 L C 2.566 179.437 176.870 0.003 0.000 1.083 598 L CA 1.522 56.363 54.840 0.002 0.000 0.752 598 L CB -0.413 41.650 42.059 0.006 0.000 0.899 598 L HN 0.317 nan 8.230 nan 0.000 0.433 599 S N -1.269 114.436 115.700 0.007 0.000 2.489 599 S HA 0.006 4.477 4.470 0.001 0.000 0.228 599 S C 1.017 175.632 174.600 0.025 0.000 0.995 599 S CA 0.027 58.236 58.200 0.015 0.000 0.934 599 S CB 0.031 63.240 63.200 0.015 0.000 0.771 599 S HN 0.239 nan 8.310 nan 0.000 0.522 600 S N 1.265 116.978 115.700 0.022 0.000 2.580 600 S HA 0.313 4.784 4.470 0.001 0.000 0.274 600 S C 0.658 175.290 174.600 0.054 0.000 1.329 600 S CA -0.637 57.591 58.200 0.047 0.000 1.036 600 S CB 0.476 63.697 63.200 0.035 0.000 0.919 600 S HN 0.412 nan 8.310 nan 0.000 0.515 601 F N 2.815 122.741 119.950 -0.040 0.000 2.120 601 F HA -0.050 4.478 4.527 0.001 0.000 0.300 601 F C 1.249 176.996 175.800 -0.089 0.000 1.095 601 F CA 1.260 59.222 58.000 -0.063 0.000 1.249 601 F CB -0.347 38.624 39.000 -0.047 0.000 0.995 601 F HN 0.610 nan 8.300 nan 0.000 0.480 602 A N 0.936 123.717 122.820 -0.065 0.000 2.462 602 A HA 0.475 4.796 4.320 0.001 0.000 0.243 602 A C -0.618 176.839 177.584 -0.212 0.000 1.076 602 A CA -0.193 51.749 52.037 -0.158 0.000 0.773 602 A CB 0.292 19.312 19.000 0.033 0.000 1.010 602 A HN 0.113 nan 8.150 nan 0.000 0.493 603 V N 3.333 123.097 119.914 -0.251 0.000 2.638 603 V HA 0.695 4.816 4.120 0.001 0.000 0.306 603 V C -0.290 175.762 176.094 -0.069 0.000 1.052 603 V CA -0.332 61.864 62.300 -0.173 0.000 0.885 603 V CB 1.531 33.173 31.823 -0.302 0.000 0.999 603 V HN 0.877 nan 8.190 nan 0.000 0.424 604 I N 2.792 123.357 120.570 -0.008 0.000 2.828 604 I HA 0.397 4.567 4.170 0.001 0.000 0.295 604 I C 0.378 176.524 176.117 0.049 0.000 1.459 604 I CA -0.024 61.284 61.300 0.013 0.000 1.015 604 I CB 2.235 40.242 38.000 0.012 0.000 1.345 604 I HN 0.767 nan 8.210 nan 0.000 0.449 605 S N 3.034 118.778 115.700 0.074 0.000 3.581 605 S HA -0.193 4.278 4.470 0.001 0.000 0.354 605 S C 1.028 175.687 174.600 0.099 0.000 1.059 605 S CA 1.626 59.903 58.200 0.129 0.000 1.060 605 S CB -0.846 62.515 63.200 0.268 0.000 0.908 605 S HN 0.840 nan 8.310 nan 0.000 0.475 606 E N 1.049 121.293 120.200 0.073 0.000 2.097 606 E HA -0.141 4.210 4.350 0.001 0.000 0.196 606 E C 1.892 178.535 176.600 0.071 0.000 1.000 606 E CA 1.608 58.050 56.400 0.069 0.000 0.804 606 E CB -0.018 29.722 29.700 0.067 0.000 0.740 606 E HN 0.528 nan 8.360 nan 0.000 0.454 607 K N 0.003 120.440 120.400 0.061 0.000 2.404 607 K HA 0.125 4.446 4.320 0.001 0.000 0.194 607 K C 0.896 177.556 176.600 0.101 0.000 1.023 607 K CA 0.234 56.561 56.287 0.066 0.000 1.094 607 K CB 0.946 33.466 32.500 0.034 0.000 0.841 607 K HN 0.062 nan 8.250 nan 0.000 0.523 608 V N -0.532 119.455 119.914 0.121 0.000 4.508 608 V HA 0.130 4.250 4.120 0.001 0.000 0.169 608 V C 1.868 178.083 176.094 0.202 0.000 1.084 608 V CA 0.692 63.084 62.300 0.153 0.000 1.371 608 V CB -0.645 31.241 31.823 0.106 0.000 1.878 608 V HN 0.074 nan 8.190 nan 0.000 0.506 609 A N -0.475 122.469 122.820 0.206 0.000 1.940 609 A HA -0.277 4.044 4.320 0.001 0.000 0.219 609 A C 2.103 179.754 177.584 0.112 0.000 1.176 609 A CA 2.577 54.688 52.037 0.124 0.000 0.631 609 A CB -0.572 18.442 19.000 0.024 0.000 0.814 609 A HN 0.668 nan 8.150 nan 0.000 0.446 610 Q N -0.817 119.048 119.800 0.107 0.000 2.033 610 Q HA -0.117 4.224 4.340 0.001 0.000 0.196 610 Q C 2.349 178.413 176.000 0.107 0.000 0.970 610 Q CA 1.618 57.470 55.803 0.082 0.000 0.828 610 Q CB -0.255 28.520 28.738 0.062 0.000 0.895 610 Q HN 0.587 nan 8.270 nan 0.000 0.440 611 S N -0.276 115.501 115.700 0.129 0.000 2.400 611 S HA -0.185 4.285 4.470 0.001 0.000 0.232 611 S C 1.649 176.367 174.600 0.198 0.000 1.025 611 S CA 1.122 59.402 58.200 0.133 0.000 0.993 611 S CB -0.532 62.747 63.200 0.132 0.000 0.808 611 S HN 0.532 nan 8.310 nan 0.000 0.478 612 F N 2.088 122.111 119.950 0.122 0.000 2.120 612 F HA -0.087 4.441 4.527 0.001 0.000 0.300 612 F C 1.737 177.637 175.800 0.167 0.000 1.095 612 F CA 1.643 59.762 58.000 0.198 0.000 1.249 612 F CB -0.454 38.623 39.000 0.127 0.000 0.995 612 F HN 0.255 nan 8.300 nan 0.000 0.480 613 I N -0.011 120.593 120.570 0.056 0.000 2.179 613 I HA -0.339 3.832 4.170 0.001 0.000 0.242 613 I C 2.368 178.437 176.117 -0.079 0.000 1.088 613 I CA 1.549 62.812 61.300 -0.061 0.000 1.357 613 I CB -0.766 37.227 38.000 -0.013 0.000 1.051 613 I HN 0.216 nan 8.210 nan 0.000 0.409 614 Q N 0.722 120.501 119.800 -0.035 0.000 2.050 614 Q HA -0.240 4.100 4.340 0.001 0.000 0.202 614 Q C 2.146 178.084 176.000 -0.103 0.000 0.980 614 Q CA 1.667 57.441 55.803 -0.048 0.000 0.840 614 Q CB -0.218 28.510 28.738 -0.017 0.000 0.898 614 Q HN 0.546 nan 8.270 nan 0.000 0.424 615 E N 0.761 120.887 120.200 -0.124 0.000 2.085 615 E HA -0.206 4.145 4.350 0.001 0.000 0.194 615 E C 1.990 178.316 176.600 -0.457 0.000 0.994 615 E CA 1.110 57.330 56.400 -0.300 0.000 0.801 615 E CB -0.179 29.383 29.700 -0.229 0.000 0.743 615 E HN 0.380 nan 8.360 nan 0.000 0.453 616 A N 0.964 123.591 122.820 -0.321 0.000 1.898 616 A HA -0.119 4.202 4.320 0.001 0.000 0.216 616 A C 2.177 179.721 177.584 -0.067 0.000 1.181 616 A CA 0.936 52.863 52.037 -0.184 0.000 0.620 616 A CB -0.555 18.337 19.000 -0.180 0.000 0.819 616 A HN 0.131 nan 8.150 nan 0.000 0.442 617 L N -0.123 121.054 121.223 -0.076 0.000 2.191 617 L HA -0.119 4.222 4.340 0.001 0.000 0.212 617 L C 2.217 179.077 176.870 -0.018 0.000 1.103 617 L CA 1.333 56.158 54.840 -0.025 0.000 0.769 617 L CB -0.150 41.885 42.059 -0.041 0.000 0.908 617 L HN 0.298 nan 8.230 nan 0.000 0.438 618 S N -1.237 114.419 115.700 -0.074 0.000 2.593 618 S HA 0.070 4.541 4.470 0.001 0.000 0.217 618 S C 0.364 174.900 174.600 -0.107 0.000 0.966 618 S CA -0.220 57.926 58.200 -0.090 0.000 0.914 618 S CB -0.139 62.984 63.200 -0.128 0.000 0.776 618 S HN 0.151 nan 8.310 nan 0.000 0.523 619 F N 2.946 122.753 119.950 -0.238 0.000 2.396 619 F HA 0.355 4.883 4.527 0.001 0.000 0.343 619 F C -0.040 175.705 175.800 -0.092 0.000 1.104 619 F CA -0.620 57.239 58.000 -0.236 0.000 1.161 619 F CB 0.696 39.483 39.000 -0.356 0.000 1.146 619 F HN -0.104 nan 8.300 nan 0.000 0.522 620 D N 6.277 126.546 120.400 -0.217 0.000 2.446 620 D HA 0.111 4.751 4.640 0.001 0.000 0.251 620 D C 0.479 176.771 176.300 -0.014 0.000 1.137 620 D CA -0.294 53.670 54.000 -0.060 0.000 0.890 620 D CB 1.157 41.883 40.800 -0.123 0.000 1.071 620 D HN 0.524 nan 8.370 nan 0.000 0.528 621 L N 3.530 124.888 121.223 0.225 0.000 2.291 621 L HA -0.048 4.293 4.340 0.001 0.000 0.214 621 L C 2.339 179.259 176.870 0.084 0.000 1.120 621 L CA 1.803 56.801 54.840 0.263 0.000 0.799 621 L CB -0.793 41.435 42.059 0.281 0.000 0.925 621 L HN 0.535 nan 8.230 nan 0.000 0.446 622 T N -3.834 110.720 114.554 0.000 0.000 3.007 622 T HA -0.118 4.233 4.350 0.001 0.000 0.270 622 T C 1.534 176.219 174.700 -0.026 0.000 1.107 622 T CA 1.081 63.162 62.100 -0.031 0.000 1.118 622 T CB -0.361 68.462 68.868 -0.076 0.000 0.889 622 T HN 0.370 nan 8.240 nan 0.000 0.506 623 L N 0.286 121.488 121.223 -0.036 0.000 2.728 623 L HA 0.387 4.727 4.340 0.001 0.000 0.238 623 L C 0.533 177.381 176.870 -0.037 0.000 1.143 623 L CA -0.482 54.331 54.840 -0.046 0.000 0.937 623 L CB -0.097 41.918 42.059 -0.072 0.000 1.225 623 L HN 0.213 nan 8.230 nan 0.000 0.507 624 I N 0.000 120.566 120.570 -0.007 0.000 2.984 624 I HA 0.000 4.171 4.170 0.001 0.000 0.288 624 I CA 0.000 61.310 61.300 0.017 0.000 1.566 624 I CB 0.000 38.055 38.000 0.092 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494