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 2cbi_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 0.000 176.075 176.094 -0.032 0.000 1.182 41 V CA 0.000 62.286 62.300 -0.023 0.000 1.235 41 V CB 0.000 31.817 31.823 -0.011 0.000 1.184 42 L N 2.355 123.557 121.223 -0.034 0.000 2.379 42 L HA 0.705 5.045 4.340 -0.001 0.000 0.269 42 L C -0.108 176.736 176.870 -0.043 0.000 1.084 42 L CA -0.914 53.907 54.840 -0.032 0.000 0.802 42 L CB 1.563 43.607 42.059 -0.025 0.000 1.175 42 L HN 0.185 nan 8.230 nan 0.000 0.448 43 V N 2.474 122.367 119.914 -0.036 0.000 2.427 43 V HA 0.171 4.290 4.120 -0.001 0.000 0.268 43 V C -1.645 174.426 176.094 -0.039 0.000 1.046 43 V CA -1.237 61.039 62.300 -0.040 0.000 0.970 43 V CB 0.292 32.099 31.823 -0.027 0.000 1.001 43 V HN 0.666 nan 8.190 nan 0.000 0.476 44 P HA 0.103 nan 4.420 nan 0.000 0.272 44 P C -0.018 177.263 177.300 -0.032 0.000 1.254 44 P CA -0.513 62.560 63.100 -0.044 0.000 0.795 44 P CB 0.325 31.989 31.700 -0.060 0.000 1.022 45 N N 0.156 118.843 118.700 -0.022 0.000 2.412 45 N HA 0.079 4.818 4.740 -0.001 0.000 0.254 45 N C -0.448 175.057 175.510 -0.008 0.000 1.232 45 N CA 0.511 53.558 53.050 -0.004 0.000 0.880 45 N CB -0.060 38.432 38.487 0.009 0.000 1.076 45 N HN 0.263 nan 8.380 nan 0.000 0.458 46 L N 1.849 123.071 121.223 -0.002 0.000 2.381 46 L HA 0.449 4.789 4.340 -0.001 0.000 0.268 46 L C -0.240 176.614 176.870 -0.026 0.000 0.997 46 L CA -0.813 54.008 54.840 -0.032 0.000 0.818 46 L CB 1.959 43.991 42.059 -0.045 0.000 1.310 46 L HN 0.480 nan 8.230 nan 0.000 0.416 47 N N 2.271 120.914 118.700 -0.094 0.000 2.425 47 N HA 0.483 5.223 4.740 -0.001 0.000 0.289 47 N C -2.869 172.435 175.510 -0.344 0.000 1.074 47 N CA -1.210 51.729 53.050 -0.184 0.000 0.905 47 N CB 2.873 41.214 38.487 -0.243 0.000 1.586 47 N HN 0.106 nan 8.380 nan 0.000 0.490 48 P HA 0.124 nan 4.420 nan 0.000 0.271 48 P C -0.635 176.548 177.300 -0.195 0.000 1.244 48 P CA -0.156 62.755 63.100 -0.314 0.000 0.793 48 P CB 0.309 31.730 31.700 -0.465 0.000 0.984 49 T N 2.999 117.534 114.554 -0.032 0.000 2.784 49 T HA 0.178 4.528 4.350 -0.001 0.000 0.291 49 T C -2.118 172.610 174.700 0.046 0.000 0.942 49 T CA -0.689 61.419 62.100 0.014 0.000 1.161 49 T CB -0.703 68.199 68.868 0.057 0.000 0.885 49 T HN 0.303 nan 8.240 nan 0.000 0.534 50 P HA 0.095 nan 4.420 nan 0.000 0.268 50 P C 0.856 178.164 177.300 0.013 0.000 1.208 50 P CA -0.175 62.963 63.100 0.064 0.000 0.777 50 P CB 0.705 32.428 31.700 0.039 0.000 0.875 51 E N 2.119 122.275 120.200 -0.072 0.000 2.028 51 E HA -0.109 4.241 4.350 -0.001 0.000 0.191 51 E C -0.041 176.488 176.600 -0.117 0.000 0.988 51 E CA 1.590 57.867 56.400 -0.204 0.000 0.799 51 E CB -0.065 29.281 29.700 -0.590 0.000 0.755 51 E HN 0.382 nan 8.360 nan 0.000 0.447 52 N N 0.186 118.829 118.700 -0.095 0.000 2.399 52 N HA 0.325 5.065 4.740 -0.001 0.000 0.284 52 N C -1.384 174.116 175.510 -0.016 0.000 1.025 52 N CA -0.412 52.615 53.050 -0.039 0.000 0.885 52 N CB 2.018 40.494 38.487 -0.019 0.000 1.339 52 N HN 0.118 nan 8.380 nan 0.000 0.487 53 L N 0.606 121.828 121.223 -0.001 0.000 2.476 53 L HA 0.448 4.787 4.340 -0.001 0.000 0.269 53 L C -0.967 175.911 176.870 0.014 0.000 0.965 53 L CA -0.392 54.455 54.840 0.013 0.000 0.845 53 L CB 2.089 44.156 42.059 0.013 0.000 1.259 53 L HN 0.427 nan 8.230 nan 0.000 0.403 54 E N 3.650 123.862 120.200 0.022 0.000 2.199 54 E HA 0.381 4.731 4.350 -0.001 0.000 0.265 54 E C -1.342 175.273 176.600 0.025 0.000 0.882 54 E CA -0.788 55.625 56.400 0.021 0.000 0.759 54 E CB 2.407 32.121 29.700 0.024 0.000 1.148 54 E HN 0.449 nan 8.360 nan 0.000 0.412 55 V N 5.055 124.981 119.914 0.020 0.000 2.470 55 V HA 0.025 4.144 4.120 -0.001 0.000 0.276 55 V C 0.996 177.107 176.094 0.028 0.000 1.040 55 V CA 0.080 62.392 62.300 0.022 0.000 1.008 55 V CB 0.906 32.737 31.823 0.013 0.000 0.990 55 V HN 0.635 nan 8.190 nan 0.000 0.477 56 V N 2.022 121.959 119.914 0.039 0.000 3.346 56 V HA 0.809 4.929 4.120 -0.001 0.000 0.309 56 V C 0.521 176.647 176.094 0.053 0.000 1.457 56 V CA 0.595 62.921 62.300 0.044 0.000 1.069 56 V CB 0.084 31.936 31.823 0.049 0.000 0.944 56 V HN 0.899 nan 8.190 nan 0.000 0.449 57 G N -0.668 108.165 108.800 0.055 0.000 2.548 57 G HA2 0.395 4.354 3.960 -0.001 0.000 0.301 57 G HA3 0.395 4.354 3.960 -0.001 0.000 0.301 57 G C -0.925 174.008 174.900 0.056 0.000 1.349 57 G CA 0.185 45.324 45.100 0.066 0.000 0.792 57 G HN -0.069 nan 8.290 nan 0.000 0.481 58 D N -0.222 120.216 120.400 0.063 0.000 2.349 58 D HA 0.345 4.985 4.640 -0.001 0.000 0.215 58 D C 1.415 177.741 176.300 0.043 0.000 1.016 58 D CA 1.632 55.659 54.000 0.046 0.000 0.870 58 D CB 0.656 41.482 40.800 0.043 0.000 0.917 58 D HN 1.286 nan 8.370 nan 0.000 0.524 59 G N 0.801 109.646 108.800 0.076 0.000 2.603 59 G HA2 0.062 4.022 3.960 -0.001 0.000 0.686 59 G HA3 0.062 4.022 3.960 -0.001 0.000 0.686 59 G C -0.760 174.223 174.900 0.137 0.000 1.286 59 G CA -0.549 44.562 45.100 0.017 0.000 0.871 59 G HN 0.209 nan 8.290 nan 0.000 0.568 60 F N -2.210 117.752 119.950 0.021 0.000 2.745 60 F HA 0.890 5.416 4.527 -0.001 0.000 0.316 60 F C -0.527 175.286 175.800 0.022 0.000 1.155 60 F CA -1.348 56.665 58.000 0.022 0.000 0.937 60 F CB 1.747 40.763 39.000 0.027 0.000 1.361 60 F HN 0.625 nan 8.300 nan 0.000 0.472 61 K N 1.932 122.497 120.400 0.275 0.000 2.185 61 K HA 0.570 4.890 4.320 -0.001 0.000 0.269 61 K C -0.875 175.907 176.600 0.304 0.000 0.987 61 K CA -0.610 55.774 56.287 0.161 0.000 0.865 61 K CB 1.113 33.675 32.500 0.102 0.000 1.090 61 K HN 0.755 nan 8.250 nan 0.000 0.450 62 I N 4.080 124.777 120.570 0.211 0.000 2.556 62 I HA -0.042 4.128 4.170 -0.001 0.000 0.284 62 I C 1.065 177.273 176.117 0.152 0.000 1.114 62 I CA -0.069 61.380 61.300 0.247 0.000 1.418 62 I CB 1.058 39.178 38.000 0.200 0.000 1.394 62 I HN 0.745 nan 8.210 nan 0.000 0.552 63 T N 1.488 116.123 114.554 0.135 0.000 2.748 63 T HA 0.019 4.369 4.350 -0.001 0.000 0.304 63 T C 1.303 176.038 174.700 0.058 0.000 1.041 63 T CA -0.235 61.913 62.100 0.079 0.000 1.033 63 T CB 0.890 69.792 68.868 0.057 0.000 0.995 63 T HN 0.735 nan 8.240 nan 0.000 0.536 64 S N -0.495 115.226 115.700 0.035 0.000 2.453 64 S HA 0.069 4.538 4.470 -0.001 0.000 0.231 64 S C 0.899 175.509 174.600 0.017 0.000 1.005 64 S CA 0.184 58.395 58.200 0.018 0.000 0.949 64 S CB -0.668 62.537 63.200 0.008 0.000 0.774 64 S HN 1.175 nan 8.310 nan 0.000 0.510 65 S N 0.766 116.481 115.700 0.025 0.000 2.595 65 S HA 0.789 5.258 4.470 -0.001 0.000 0.281 65 S C -0.686 173.937 174.600 0.038 0.000 1.117 65 S CA -1.066 57.149 58.200 0.026 0.000 0.873 65 S CB 1.546 64.754 63.200 0.015 0.000 1.108 65 S HN 0.670 nan 8.310 nan 0.000 0.477 66 I N -0.964 119.630 120.570 0.040 0.000 3.002 66 I HA 0.648 4.818 4.170 -0.001 0.000 0.310 66 I C -1.114 175.018 176.117 0.025 0.000 1.087 66 I CA -1.212 60.115 61.300 0.045 0.000 1.017 66 I CB 1.769 39.811 38.000 0.070 0.000 1.226 66 I HN 0.470 nan 8.210 nan 0.000 0.443 67 N N 3.585 122.296 118.700 0.019 0.000 2.422 67 N HA 0.402 5.142 4.740 -0.001 0.000 0.264 67 N C -1.142 174.369 175.510 0.001 0.000 1.063 67 N CA -0.263 52.791 53.050 0.007 0.000 0.959 67 N CB 1.751 40.239 38.487 0.002 0.000 1.087 67 N HN 0.530 nan 8.380 nan 0.000 0.483 68 L N 3.384 124.604 121.223 -0.004 0.000 2.296 68 L HA 0.528 4.867 4.340 -0.001 0.000 0.286 68 L C -1.012 175.849 176.870 -0.016 0.000 1.023 68 L CA -0.641 54.190 54.840 -0.016 0.000 0.812 68 L CB 1.434 43.484 42.059 -0.014 0.000 1.223 68 L HN 0.206 nan 8.230 nan 0.000 0.421 69 V N 4.524 124.425 119.914 -0.022 0.000 2.638 69 V HA 0.731 4.851 4.120 -0.001 0.000 0.306 69 V C 0.659 176.741 176.094 -0.020 0.000 1.052 69 V CA 0.093 62.382 62.300 -0.017 0.000 0.885 69 V CB 1.259 33.074 31.823 -0.014 0.000 0.999 69 V HN 0.923 nan 8.190 nan 0.000 0.424 70 G N 3.655 112.447 108.800 -0.014 0.000 2.159 70 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.227 70 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.227 70 G C 0.402 175.295 174.900 -0.012 0.000 0.986 70 G CA 0.416 45.508 45.100 -0.012 0.000 0.651 70 G HN 0.793 nan 8.290 nan 0.000 0.523 71 E N 0.926 121.118 120.200 -0.013 0.000 2.110 71 E HA 0.023 4.372 4.350 -0.001 0.000 0.193 71 E C 1.981 178.578 176.600 -0.005 0.000 0.988 71 E CA 1.384 57.778 56.400 -0.010 0.000 0.804 71 E CB -0.235 29.460 29.700 -0.009 0.000 0.745 71 E HN 0.694 nan 8.360 nan 0.000 0.458 72 E N 0.669 120.867 120.200 -0.003 0.000 2.085 72 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 72 E C 1.814 178.414 176.600 0.000 0.000 0.994 72 E CA 1.282 57.681 56.400 -0.001 0.000 0.801 72 E CB -0.014 29.686 29.700 -0.001 0.000 0.743 72 E HN 0.342 nan 8.360 nan 0.000 0.453 73 E N -0.184 120.016 120.200 0.000 0.000 2.364 73 E HA 0.130 4.480 4.350 -0.001 0.000 0.196 73 E C 0.397 177.000 176.600 0.004 0.000 0.990 73 E CA -0.014 56.387 56.400 0.003 0.000 0.886 73 E CB 0.536 30.238 29.700 0.004 0.000 0.866 73 E HN 0.061 nan 8.360 nan 0.000 0.493 74 A N 2.071 124.892 122.820 0.001 0.000 2.407 74 A HA 0.044 4.363 4.320 -0.001 0.000 0.248 74 A C -0.155 177.433 177.584 0.006 0.000 1.082 74 A CA -0.315 51.723 52.037 0.002 0.000 0.785 74 A CB 0.084 19.079 19.000 -0.008 0.000 1.020 74 A HN 0.055 nan 8.150 nan 0.000 0.489 75 D N 0.826 121.233 120.400 0.012 0.000 2.658 75 D HA -0.089 4.551 4.640 -0.001 0.000 0.230 75 D C 1.154 177.467 176.300 0.022 0.000 1.118 75 D CA 0.962 54.972 54.000 0.016 0.000 0.848 75 D CB 0.475 41.289 40.800 0.024 0.000 1.160 75 D HN 0.636 nan 8.370 nan 0.000 0.497 76 E N 2.817 123.025 120.200 0.014 0.000 2.085 76 E HA -0.256 4.094 4.350 -0.001 0.000 0.194 76 E C 1.213 177.837 176.600 0.040 0.000 0.994 76 E CA 1.209 57.620 56.400 0.018 0.000 0.801 76 E CB 0.065 29.768 29.700 0.006 0.000 0.743 76 E HN 0.641 nan 8.360 nan 0.000 0.453 77 N N -0.019 118.708 118.700 0.045 0.000 2.120 77 N HA -0.153 4.587 4.740 -0.001 0.000 0.188 77 N C 1.845 177.506 175.510 0.251 0.000 1.024 77 N CA 0.994 54.101 53.050 0.095 0.000 0.852 77 N CB -0.114 38.357 38.487 -0.026 0.000 1.003 77 N HN 0.111 nan 8.380 nan 0.000 0.424 78 A N 0.709 123.674 122.820 0.243 0.000 1.898 78 A HA -0.075 4.245 4.320 -0.001 0.000 0.216 78 A C 2.354 179.960 177.584 0.036 0.000 1.181 78 A CA 1.081 53.220 52.037 0.170 0.000 0.620 78 A CB -0.679 18.374 19.000 0.088 0.000 0.819 78 A HN 0.101 nan 8.150 nan 0.000 0.442 79 V N 0.977 120.911 119.914 0.033 0.000 2.427 79 V HA -0.232 3.888 4.120 -0.001 0.000 0.248 79 V C 2.236 178.345 176.094 0.024 0.000 1.051 79 V CA 2.016 64.321 62.300 0.008 0.000 1.048 79 V CB -0.952 30.875 31.823 0.006 0.000 0.666 79 V HN 0.535 nan 8.190 nan 0.000 0.456 80 N N 0.663 119.391 118.700 0.048 0.000 2.142 80 N HA -0.089 4.651 4.740 -0.001 0.000 0.186 80 N C 1.920 177.468 175.510 0.063 0.000 1.023 80 N CA 1.622 54.705 53.050 0.055 0.000 0.852 80 N CB -0.468 38.056 38.487 0.062 0.000 0.998 80 N HN 0.484 nan 8.380 nan 0.000 0.424 81 A N 1.043 123.903 122.820 0.067 0.000 1.902 81 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 81 A C 2.238 179.841 177.584 0.033 0.000 1.181 81 A CA 0.993 53.043 52.037 0.021 0.000 0.623 81 A CB -0.725 18.192 19.000 -0.138 0.000 0.818 81 A HN 0.241 nan 8.150 nan 0.000 0.443 82 L N -0.092 121.139 121.223 0.014 0.000 2.017 82 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 82 L C 2.452 179.406 176.870 0.140 0.000 1.073 82 L CA 2.018 56.901 54.840 0.070 0.000 0.745 82 L CB -0.655 41.389 42.059 -0.025 0.000 0.894 82 L HN 0.353 nan 8.230 nan 0.000 0.432 83 R N -0.408 120.139 120.500 0.079 0.000 2.094 83 R HA -0.215 4.125 4.340 -0.001 0.000 0.239 83 R C 2.264 178.611 176.300 0.079 0.000 1.137 83 R CA 1.953 58.094 56.100 0.068 0.000 0.943 83 R CB -0.591 29.733 30.300 0.040 0.000 0.850 83 R HN 0.525 nan 8.270 nan 0.000 0.433 84 E N -0.148 120.103 120.200 0.084 0.000 2.065 84 E HA -0.256 4.094 4.350 -0.001 0.000 0.201 84 E C 1.808 178.469 176.600 0.102 0.000 1.016 84 E CA 1.696 58.143 56.400 0.078 0.000 0.818 84 E CB -0.220 29.529 29.700 0.082 0.000 0.749 84 E HN 0.214 nan 8.360 nan 0.000 0.453 85 F N 1.133 121.088 119.950 0.009 0.000 2.095 85 F HA -0.248 4.279 4.527 -0.001 0.000 0.298 85 F C 2.051 177.867 175.800 0.026 0.000 1.104 85 F CA 1.033 59.041 58.000 0.013 0.000 1.232 85 F CB -0.295 38.725 39.000 0.034 0.000 0.987 85 F HN -0.006 nan 8.300 nan 0.000 0.475 86 L N 0.594 121.847 121.223 0.050 0.000 1.990 86 L HA -0.250 4.090 4.340 -0.001 0.000 0.213 86 L C 2.575 179.370 176.870 -0.126 0.000 1.072 86 L CA 2.468 57.280 54.840 -0.046 0.000 0.755 86 L CB -1.794 40.315 42.059 0.084 0.000 0.889 86 L HN 0.212 nan 8.230 nan 0.000 0.432 87 T N -0.182 114.334 114.554 -0.063 0.000 2.597 87 T HA -0.283 4.067 4.350 -0.001 0.000 0.267 87 T C 1.850 176.483 174.700 -0.111 0.000 1.053 87 T CA 1.762 63.823 62.100 -0.066 0.000 1.165 87 T CB -0.567 68.282 68.868 -0.030 0.000 0.863 87 T HN 0.458 nan 8.240 nan 0.000 0.427 88 A N 1.814 124.555 122.820 -0.133 0.000 2.084 88 A HA -0.116 4.204 4.320 -0.001 0.000 0.221 88 A C 1.871 179.326 177.584 -0.216 0.000 1.161 88 A CA 1.313 53.261 52.037 -0.148 0.000 0.653 88 A CB -0.358 18.568 19.000 -0.123 0.000 0.802 88 A HN 0.544 nan 8.150 nan 0.000 0.457 89 N N 0.035 118.545 118.700 -0.317 0.000 2.234 89 N HA 0.028 4.768 4.740 -0.001 0.000 0.227 89 N C -0.730 174.659 175.510 -0.200 0.000 1.151 89 N CA -0.030 52.827 53.050 -0.322 0.000 0.865 89 N CB 0.200 38.339 38.487 -0.579 0.000 1.066 89 N HN 0.397 nan 8.380 nan 0.000 0.515 90 N N 1.021 119.636 118.700 -0.143 0.000 2.727 90 N HA -0.184 4.556 4.740 -0.001 0.000 0.249 90 N C -0.739 174.730 175.510 -0.068 0.000 1.048 90 N CA 0.761 53.759 53.050 -0.087 0.000 0.714 90 N CB -1.337 37.108 38.487 -0.070 0.000 0.959 90 N HN 0.427 nan 8.380 nan 0.000 0.544 91 I N 0.515 121.043 120.570 -0.070 0.000 2.355 91 I HA 0.186 4.355 4.170 -0.001 0.000 0.288 91 I C 0.599 176.711 176.117 -0.008 0.000 0.999 91 I CA -0.584 60.700 61.300 -0.026 0.000 1.163 91 I CB 1.688 39.686 38.000 -0.004 0.000 1.316 91 I HN -0.038 nan 8.210 nan 0.000 0.454 92 E N 5.893 126.094 120.200 0.001 0.000 2.283 92 E HA 0.533 4.883 4.350 -0.001 0.000 0.267 92 E C -0.917 175.691 176.600 0.013 0.000 1.045 92 E CA -0.415 55.987 56.400 0.003 0.000 0.884 92 E CB 1.282 30.982 29.700 -0.001 0.000 1.106 92 E HN 0.389 nan 8.360 nan 0.000 0.408 93 I N 3.595 124.171 120.570 0.011 0.000 2.321 93 I HA 0.225 4.395 4.170 -0.001 0.000 0.291 93 I C -0.136 175.985 176.117 0.008 0.000 0.998 93 I CA -0.879 60.428 61.300 0.012 0.000 1.227 93 I CB 1.055 39.062 38.000 0.011 0.000 1.368 93 I HN 0.376 nan 8.210 nan 0.000 0.466 94 N N 4.091 122.796 118.700 0.008 0.000 2.412 94 N HA -0.024 4.716 4.740 -0.001 0.000 0.254 94 N C 1.089 176.601 175.510 0.003 0.000 1.232 94 N CA 0.158 53.211 53.050 0.005 0.000 0.880 94 N CB 0.975 39.465 38.487 0.005 0.000 1.076 94 N HN 0.579 nan 8.380 nan 0.000 0.458 95 S N 1.899 117.600 115.700 0.001 0.000 2.368 95 S HA -0.107 4.363 4.470 -0.001 0.000 0.225 95 S C 0.271 174.871 174.600 -0.000 0.000 1.030 95 S CA 1.134 59.334 58.200 0.000 0.000 0.999 95 S CB -0.005 63.194 63.200 -0.000 0.000 0.844 95 S HN 0.674 nan 8.310 nan 0.000 0.459 96 E N 0.370 120.570 120.200 -0.000 0.000 2.416 96 E HA 0.328 4.678 4.350 -0.001 0.000 0.273 96 E C -1.044 175.555 176.600 -0.001 0.000 0.935 96 E CA -0.846 55.553 56.400 -0.001 0.000 0.784 96 E CB 0.847 30.546 29.700 -0.001 0.000 1.301 96 E HN 0.063 nan 8.360 nan 0.000 0.454 97 N N 1.882 120.581 118.700 -0.002 0.000 2.483 97 N HA -0.029 4.711 4.740 -0.001 0.000 0.264 97 N C -0.801 174.707 175.510 -0.003 0.000 1.197 97 N CA 0.787 53.835 53.050 -0.003 0.000 0.927 97 N CB 0.338 38.822 38.487 -0.004 0.000 1.065 97 N HN 0.714 nan 8.380 nan 0.000 0.461 98 D N 2.692 123.090 120.400 -0.003 0.000 3.061 98 D HA -0.062 4.578 4.640 -0.001 0.000 0.252 98 D C -2.103 174.194 176.300 -0.004 0.000 1.080 98 D CA -0.415 53.582 54.000 -0.005 0.000 0.871 98 D CB -0.329 40.466 40.800 -0.009 0.000 1.018 98 D HN 0.436 nan 8.370 nan 0.000 0.425 99 P HA 0.071 nan 4.420 nan 0.000 0.274 99 P C -0.224 177.073 177.300 -0.004 0.000 1.370 99 P CA 0.117 63.216 63.100 -0.002 0.000 0.760 99 P CB -0.070 31.631 31.700 0.001 0.000 1.308 100 N N -0.388 118.307 118.700 -0.008 0.000 2.705 100 N HA -0.132 4.608 4.740 -0.001 0.000 0.255 100 N C -0.486 175.018 175.510 -0.009 0.000 1.008 100 N CA 0.909 53.951 53.050 -0.013 0.000 0.742 100 N CB -1.273 37.203 38.487 -0.019 0.000 0.906 100 N HN 0.295 nan 8.380 nan 0.000 0.541 101 S N -1.979 113.720 115.700 -0.002 0.000 2.632 101 S HA 0.458 4.927 4.470 -0.001 0.000 0.267 101 S C 0.661 175.265 174.600 0.006 0.000 1.276 101 S CA -0.700 57.506 58.200 0.011 0.000 0.998 101 S CB 1.179 64.391 63.200 0.019 0.000 0.953 101 S HN 0.235 nan 8.310 nan 0.000 0.547 102 T N 2.676 117.249 114.554 0.032 0.000 2.934 102 T HA 0.151 4.501 4.350 -0.001 0.000 0.321 102 T C 0.124 174.845 174.700 0.035 0.000 1.080 102 T CA 0.322 62.449 62.100 0.045 0.000 1.132 102 T CB -0.098 68.862 68.868 0.153 0.000 1.039 102 T HN 0.697 nan 8.240 nan 0.000 0.543 103 T N 3.584 118.149 114.554 0.019 0.000 2.779 103 T HA 0.510 4.859 4.350 -0.001 0.000 0.280 103 T C -0.379 174.334 174.700 0.022 0.000 0.987 103 T CA -0.593 61.514 62.100 0.012 0.000 0.966 103 T CB 0.787 69.649 68.868 -0.009 0.000 0.933 103 T HN 0.420 nan 8.240 nan 0.000 0.442 104 L N 4.811 126.033 121.223 -0.003 0.000 2.298 104 L HA 0.637 4.977 4.340 -0.001 0.000 0.284 104 L C -1.418 175.416 176.870 -0.061 0.000 1.013 104 L CA -0.841 53.967 54.840 -0.053 0.000 0.824 104 L CB 0.556 42.542 42.059 -0.121 0.000 1.221 104 L HN 0.560 nan 8.230 nan 0.000 0.418 105 I N 6.179 126.715 120.570 -0.056 0.000 2.378 105 I HA 0.457 4.626 4.170 -0.001 0.000 0.291 105 I C -0.424 175.658 176.117 -0.058 0.000 0.992 105 I CA -0.134 61.140 61.300 -0.043 0.000 1.154 105 I CB 1.697 39.686 38.000 -0.017 0.000 1.315 105 I HN 0.454 nan 8.210 nan 0.000 0.448 106 I N 4.901 125.438 120.570 -0.056 0.000 2.545 106 I HA 0.920 5.090 4.170 -0.001 0.000 0.292 106 I C -0.068 176.034 176.117 -0.024 0.000 1.040 106 I CA 0.195 61.461 61.300 -0.057 0.000 1.068 106 I CB 1.553 39.500 38.000 -0.089 0.000 1.251 106 I HN 0.730 nan 8.210 nan 0.000 0.424 107 G N 5.017 113.812 108.800 -0.008 0.000 2.342 107 G HA2 0.392 4.351 3.960 -0.001 0.000 0.297 107 G HA3 0.392 4.351 3.960 -0.001 0.000 0.297 107 G C -1.952 172.965 174.900 0.028 0.000 1.313 107 G CA -0.665 44.440 45.100 0.008 0.000 0.830 107 G HN 0.478 nan 8.290 nan 0.000 0.506 108 E N -0.550 119.669 120.200 0.031 0.000 2.232 108 E HA 0.567 4.917 4.350 -0.001 0.000 0.265 108 E C 0.883 177.507 176.600 0.041 0.000 1.001 108 E CA -0.549 55.878 56.400 0.045 0.000 0.870 108 E CB 1.790 31.514 29.700 0.040 0.000 1.175 108 E HN 0.873 nan 8.360 nan 0.000 0.407 109 V N -0.547 119.396 119.914 0.048 0.000 3.332 109 V HA 0.030 4.149 4.120 -0.001 0.000 0.305 109 V C 0.243 176.354 176.094 0.028 0.000 1.114 109 V CA -0.118 62.204 62.300 0.037 0.000 1.194 109 V CB 0.173 32.019 31.823 0.037 0.000 1.027 109 V HN 0.754 nan 8.190 nan 0.000 0.492 110 D N -1.358 119.055 120.400 0.023 0.000 2.394 110 D HA -0.172 4.468 4.640 -0.001 0.000 0.169 110 D C 0.211 176.521 176.300 0.016 0.000 1.214 110 D CA 1.901 55.912 54.000 0.018 0.000 1.131 110 D CB -1.200 39.611 40.800 0.018 0.000 1.157 110 D HN 0.956 nan 8.370 nan 0.000 0.455 111 D N 1.084 121.494 120.400 0.018 0.000 2.419 111 D HA 0.162 4.802 4.640 -0.001 0.000 0.236 111 D C 0.418 176.725 176.300 0.012 0.000 1.165 111 D CA 0.276 54.284 54.000 0.014 0.000 0.882 111 D CB 0.340 41.148 40.800 0.014 0.000 1.201 111 D HN 0.014 nan 8.370 nan 0.000 0.443 112 D N 1.317 121.723 120.400 0.009 0.000 2.558 112 D HA 0.186 4.825 4.640 -0.001 0.000 0.221 112 D C -0.759 175.545 176.300 0.006 0.000 1.143 112 D CA -0.303 53.701 54.000 0.007 0.000 1.010 112 D CB -0.736 40.067 40.800 0.006 0.000 1.068 112 D HN 0.229 nan 8.370 nan 0.000 0.511 113 I N 3.654 124.228 120.570 0.007 0.000 2.623 113 I HA 0.231 4.401 4.170 -0.001 0.000 0.275 113 I C -1.748 174.373 176.117 0.006 0.000 1.108 113 I CA -1.812 59.491 61.300 0.005 0.000 1.120 113 I CB 2.090 40.093 38.000 0.004 0.000 1.249 113 I HN -0.018 nan 8.210 nan 0.000 0.500 114 P HA -0.109 nan 4.420 nan 0.000 0.220 114 P C 1.009 178.312 177.300 0.006 0.000 1.148 114 P CA 1.180 64.283 63.100 0.006 0.000 0.803 114 P CB 0.320 32.022 31.700 0.004 0.000 0.782 115 E N -1.014 119.188 120.200 0.004 0.000 2.268 115 E HA -0.113 4.236 4.350 -0.001 0.000 0.195 115 E C 1.722 178.326 176.600 0.006 0.000 0.995 115 E CA 0.437 56.839 56.400 0.003 0.000 0.836 115 E CB -0.795 28.904 29.700 -0.001 0.000 0.763 115 E HN 0.133 nan 8.360 nan 0.000 0.491 116 L N 1.077 122.305 121.223 0.008 0.000 2.023 116 L HA -0.129 4.211 4.340 -0.001 0.000 0.205 116 L C 1.320 178.202 176.870 0.019 0.000 1.073 116 L CA 1.902 56.749 54.840 0.013 0.000 0.745 116 L CB -0.476 41.591 42.059 0.014 0.000 0.900 116 L HN -0.028 nan 8.230 nan 0.000 0.435 117 D N -0.342 120.069 120.400 0.018 0.000 2.123 117 D HA -0.182 4.458 4.640 -0.001 0.000 0.196 117 D C 2.069 178.380 176.300 0.018 0.000 0.992 117 D CA 1.197 55.209 54.000 0.020 0.000 0.833 117 D CB 0.009 40.819 40.800 0.016 0.000 0.954 117 D HN 0.426 nan 8.370 nan 0.000 0.455 118 E N 0.660 120.868 120.200 0.014 0.000 2.058 118 E HA -0.159 4.191 4.350 -0.001 0.000 0.194 118 E C 2.111 178.720 176.600 0.014 0.000 0.997 118 E CA 1.098 57.504 56.400 0.011 0.000 0.801 118 E CB -0.307 29.397 29.700 0.007 0.000 0.746 118 E HN 0.249 nan 8.360 nan 0.000 0.450 119 A N 1.014 123.843 122.820 0.016 0.000 1.929 119 A HA -0.067 4.252 4.320 -0.001 0.000 0.216 119 A C 2.353 179.957 177.584 0.033 0.000 1.176 119 A CA 0.798 52.848 52.037 0.021 0.000 0.628 119 A CB -0.573 18.439 19.000 0.020 0.000 0.816 119 A HN 0.148 nan 8.150 nan 0.000 0.444 120 L N -0.010 121.234 121.223 0.035 0.000 2.291 120 L HA -0.120 4.220 4.340 -0.001 0.000 0.214 120 L C 0.600 177.493 176.870 0.039 0.000 1.120 120 L CA 0.608 55.474 54.840 0.044 0.000 0.799 120 L CB -1.017 41.069 42.059 0.045 0.000 0.925 120 L HN 0.792 nan 8.230 nan 0.000 0.446 121 N N 0.387 119.105 118.700 0.030 0.000 2.834 121 N HA -0.227 4.513 4.740 -0.001 0.000 0.306 121 N C 0.817 176.343 175.510 0.027 0.000 1.120 121 N CA 0.430 53.496 53.050 0.026 0.000 0.783 121 N CB -0.890 37.610 38.487 0.022 0.000 0.997 121 N HN 0.435 nan 8.380 nan 0.000 0.590 122 G N 0.434 109.249 108.800 0.025 0.000 2.420 122 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.221 122 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.221 122 G C 0.321 175.238 174.900 0.028 0.000 1.117 122 G CA 0.462 45.576 45.100 0.024 0.000 0.657 122 G HN 1.462 nan 8.290 nan 0.000 0.512 123 T N -0.746 113.829 114.554 0.035 0.000 2.897 123 T HA 0.605 4.955 4.350 -0.001 0.000 0.294 123 T C -0.109 174.617 174.700 0.044 0.000 1.004 123 T CA 0.839 62.963 62.100 0.040 0.000 1.106 123 T CB 2.282 71.180 68.868 0.049 0.000 0.949 123 T HN 1.277 nan 8.240 nan 0.000 0.520 124 T N -0.192 114.389 114.554 0.044 0.000 2.885 124 T HA 0.576 4.926 4.350 -0.001 0.000 0.322 124 T C 0.288 175.017 174.700 0.049 0.000 1.387 124 T CA -0.114 62.013 62.100 0.045 0.000 1.041 124 T CB 1.093 69.980 68.868 0.032 0.000 1.287 124 T HN 0.904 nan 8.240 nan 0.000 0.491 125 A N 1.872 124.728 122.820 0.060 0.000 2.308 125 A HA 0.313 4.632 4.320 -0.001 0.000 0.217 125 A C 1.588 179.195 177.584 0.039 0.000 1.216 125 A CA 0.893 52.969 52.037 0.065 0.000 0.864 125 A CB -0.399 18.668 19.000 0.110 0.000 0.902 125 A HN 0.832 nan 8.150 nan 0.000 0.499 126 E N 2.179 122.395 120.200 0.026 0.000 2.106 126 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 126 E C 1.119 177.715 176.600 -0.008 0.000 0.984 126 E CA 1.859 58.267 56.400 0.013 0.000 0.806 126 E CB -0.358 29.350 29.700 0.013 0.000 0.750 126 E HN 0.698 nan 8.360 nan 0.000 0.458 127 N N -0.065 118.624 118.700 -0.019 0.000 2.314 127 N HA 0.104 4.844 4.740 -0.001 0.000 0.200 127 N C -0.181 175.270 175.510 -0.099 0.000 1.135 127 N CA 0.111 53.132 53.050 -0.049 0.000 0.835 127 N CB -0.058 38.404 38.487 -0.042 0.000 0.989 127 N HN 0.129 nan 8.380 nan 0.000 0.478 128 L N 0.453 121.622 121.223 -0.090 0.000 2.375 128 L HA 0.341 4.681 4.340 -0.001 0.000 0.268 128 L C 0.825 177.598 176.870 -0.163 0.000 1.058 128 L CA -1.334 53.404 54.840 -0.170 0.000 0.803 128 L CB 1.084 43.112 42.059 -0.052 0.000 1.212 128 L HN 0.204 nan 8.230 nan 0.000 0.451 129 K N 0.624 120.862 120.400 -0.270 0.000 2.187 129 K HA 0.152 4.472 4.320 -0.001 0.000 0.247 129 K C -0.299 176.276 176.600 -0.042 0.000 1.019 129 K CA -0.591 55.599 56.287 -0.163 0.000 0.893 129 K CB 0.447 32.819 32.500 -0.213 0.000 1.025 129 K HN 0.410 nan 8.250 nan 0.000 0.500 130 E N 0.819 121.014 120.200 -0.009 0.000 2.534 130 E HA -0.168 4.182 4.350 -0.001 0.000 0.264 130 E C -0.396 176.266 176.600 0.103 0.000 0.981 130 E CA 0.957 57.387 56.400 0.050 0.000 0.948 130 E CB 0.128 29.858 29.700 0.050 0.000 0.934 130 E HN 0.716 nan 8.360 nan 0.000 0.459 131 E N -0.931 119.381 120.200 0.187 0.000 3.916 131 E HA -0.208 4.142 4.350 -0.001 0.000 0.331 131 E C 0.488 177.360 176.600 0.453 0.000 0.729 131 E CA 0.468 57.085 56.400 0.361 0.000 1.222 131 E CB -1.435 28.526 29.700 0.436 0.000 1.633 131 E HN 0.669 nan 8.360 nan 0.000 0.437 132 G N 0.253 109.223 108.800 0.284 0.000 2.594 132 G HA2 0.381 4.341 3.960 -0.001 0.000 0.243 132 G HA3 0.381 4.341 3.960 -0.001 0.000 0.243 132 G C -0.291 174.836 174.900 0.379 0.000 1.229 132 G CA 0.436 45.711 45.100 0.292 0.000 0.843 132 G HN 0.251 nan 8.290 nan 0.000 0.578 133 Y N -2.052 118.412 120.300 0.273 0.000 2.670 133 Y HA 0.774 5.324 4.550 -0.001 0.000 0.334 133 Y C -0.355 175.645 175.900 0.167 0.000 1.185 133 Y CA -1.504 56.713 58.100 0.196 0.000 1.053 133 Y CB 1.081 39.656 38.460 0.192 0.000 1.298 133 Y HN 0.836 nan 8.280 nan 0.000 0.459 134 A N 2.058 125.047 122.820 0.282 0.000 2.374 134 A HA 0.815 5.135 4.320 -0.001 0.000 0.317 134 A C -2.026 175.762 177.584 0.340 0.000 1.094 134 A CA -0.888 51.267 52.037 0.197 0.000 0.765 134 A CB 1.626 20.697 19.000 0.118 0.000 1.268 134 A HN 1.028 nan 8.150 nan 0.000 0.438 135 L N 2.449 123.842 121.223 0.284 0.000 2.438 135 L HA 0.738 5.077 4.340 -0.001 0.000 0.270 135 L C -1.778 175.186 176.870 0.157 0.000 0.972 135 L CA -0.607 54.373 54.840 0.234 0.000 0.831 135 L CB 2.034 44.268 42.059 0.292 0.000 1.273 135 L HN 0.474 nan 8.230 nan 0.000 0.405 136 V N 3.248 123.239 119.914 0.128 0.000 2.482 136 V HA 0.488 4.608 4.120 -0.001 0.000 0.295 136 V C -0.394 175.784 176.094 0.139 0.000 1.026 136 V CA -0.455 61.915 62.300 0.117 0.000 0.856 136 V CB 2.100 33.978 31.823 0.093 0.000 1.001 136 V HN 0.824 nan 8.190 nan 0.000 0.424 137 S N 3.560 119.359 115.700 0.164 0.000 2.456 137 S HA 0.788 5.258 4.470 -0.001 0.000 0.316 137 S C -0.702 174.076 174.600 0.297 0.000 1.089 137 S CA -0.708 57.645 58.200 0.255 0.000 1.101 137 S CB 1.343 64.661 63.200 0.197 0.000 0.995 137 S HN 0.754 nan 8.310 nan 0.000 0.468 138 N N 1.456 120.352 118.700 0.327 0.000 2.493 138 N HA 0.301 5.041 4.740 -0.001 0.000 0.279 138 N C -1.654 173.879 175.510 0.039 0.000 1.082 138 N CA -0.046 53.141 53.050 0.228 0.000 0.963 138 N CB 1.492 40.049 38.487 0.116 0.000 1.627 138 N HN 0.668 nan 8.380 nan 0.000 0.499 139 D N 3.542 123.905 120.400 -0.062 0.000 2.735 139 D HA -0.141 4.499 4.640 -0.001 0.000 0.235 139 D C 0.852 176.839 176.300 -0.521 0.000 1.175 139 D CA 2.547 56.381 54.000 -0.277 0.000 0.683 139 D CB -1.160 39.578 40.800 -0.103 0.000 1.008 139 D HN 1.115 nan 8.370 nan 0.000 0.416 140 G N 0.012 108.071 108.800 -1.236 0.000 2.176 140 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.253 140 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.253 140 G C 0.343 174.995 174.900 -0.415 0.000 0.979 140 G CA 0.629 45.183 45.100 -0.909 0.000 0.641 140 G HN 0.634 nan 8.290 nan 0.000 0.530 141 K N -0.534 119.715 120.400 -0.252 0.000 2.375 141 K HA 0.780 5.100 4.320 -0.001 0.000 0.249 141 K C -0.714 175.992 176.600 0.176 0.000 0.942 141 K CA -0.880 55.407 56.287 -0.000 0.000 0.806 141 K CB 2.051 34.541 32.500 -0.016 0.000 1.227 141 K HN 0.140 nan 8.250 nan 0.000 0.430 142 I N 1.876 122.535 120.570 0.147 0.000 2.468 142 I HA 0.370 4.540 4.170 -0.001 0.000 0.285 142 I C -0.879 175.258 176.117 0.033 0.000 1.039 142 I CA -0.615 60.770 61.300 0.142 0.000 1.074 142 I CB 2.078 40.178 38.000 0.167 0.000 1.228 142 I HN 0.582 nan 8.210 nan 0.000 0.436 143 A N 7.754 130.602 122.820 0.046 0.000 2.318 143 A HA 0.900 5.220 4.320 -0.001 0.000 0.324 143 A C -0.646 176.950 177.584 0.020 0.000 1.170 143 A CA -0.417 51.633 52.037 0.021 0.000 0.810 143 A CB 0.639 19.664 19.000 0.041 0.000 1.198 143 A HN 0.680 nan 8.150 nan 0.000 0.484 144 I N 1.900 122.460 120.570 -0.016 0.000 2.439 144 I HA 0.376 4.545 4.170 -0.001 0.000 0.285 144 I C -0.244 175.892 176.117 0.032 0.000 1.021 144 I CA -0.135 61.164 61.300 -0.001 0.000 1.091 144 I CB 1.900 39.838 38.000 -0.104 0.000 1.242 144 I HN 0.823 nan 8.210 nan 0.000 0.439 145 E N 5.504 125.765 120.200 0.103 0.000 2.244 145 E HA 0.549 4.899 4.350 -0.001 0.000 0.260 145 E C -0.566 176.137 176.600 0.172 0.000 0.884 145 E CA -0.611 55.852 56.400 0.105 0.000 0.777 145 E CB 1.751 31.504 29.700 0.088 0.000 1.197 145 E HN 0.745 nan 8.360 nan 0.000 0.416 146 G N 2.994 111.882 108.800 0.147 0.000 2.476 146 G HA2 0.063 4.023 3.960 -0.001 0.000 0.269 146 G HA3 0.063 4.023 3.960 -0.001 0.000 0.269 146 G C 0.566 175.553 174.900 0.146 0.000 1.195 146 G CA -0.389 44.826 45.100 0.191 0.000 0.843 146 G HN 0.559 nan 8.290 nan 0.000 0.545 147 K N 0.033 120.529 120.400 0.160 0.000 2.097 147 K HA -0.018 4.302 4.320 -0.001 0.000 0.205 147 K C 0.436 177.086 176.600 0.085 0.000 1.050 147 K CA 1.771 58.120 56.287 0.104 0.000 0.938 147 K CB -0.013 32.544 32.500 0.094 0.000 0.718 147 K HN 0.717 nan 8.250 nan 0.000 0.442 148 D N -4.148 116.312 120.400 0.100 0.000 2.610 148 D HA 0.327 4.967 4.640 -0.001 0.000 0.271 148 D C 1.017 177.358 176.300 0.068 0.000 1.174 148 D CA -0.354 53.690 54.000 0.072 0.000 0.949 148 D CB 0.245 41.086 40.800 0.067 0.000 1.430 148 D HN -0.090 nan 8.370 nan 0.000 0.467 149 G N -0.379 108.444 108.800 0.038 0.000 2.469 149 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.219 149 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.219 149 G C 0.897 175.796 174.900 -0.001 0.000 1.150 149 G CA 1.168 46.280 45.100 0.019 0.000 0.763 149 G HN 0.537 nan 8.290 nan 0.000 0.561 150 D N 0.670 121.054 120.400 -0.027 0.000 2.106 150 D HA -0.109 4.531 4.640 -0.001 0.000 0.191 150 D C 2.674 178.907 176.300 -0.112 0.000 0.997 150 D CA 1.468 55.388 54.000 -0.133 0.000 0.834 150 D CB -0.968 39.825 40.800 -0.012 0.000 0.956 150 D HN 0.306 nan 8.370 nan 0.000 0.448 151 G N -0.098 108.795 108.800 0.155 0.000 2.469 151 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.219 151 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.219 151 G C 1.701 176.738 174.900 0.229 0.000 1.150 151 G CA 1.751 47.062 45.100 0.352 0.000 0.763 151 G HN 0.272 nan 8.290 nan 0.000 0.561 152 T N 0.511 115.130 114.554 0.108 0.000 2.777 152 T HA -0.095 4.255 4.350 -0.001 0.000 0.266 152 T C 1.930 176.604 174.700 -0.044 0.000 1.040 152 T CA 1.075 63.195 62.100 0.032 0.000 1.141 152 T CB -0.286 68.601 68.868 0.032 0.000 0.868 152 T HN 0.279 nan 8.240 nan 0.000 0.444 153 F N 1.086 120.914 119.950 -0.204 0.000 2.102 153 F HA -0.170 4.356 4.527 -0.001 0.000 0.298 153 F C 1.980 177.637 175.800 -0.238 0.000 1.105 153 F CA 1.223 59.068 58.000 -0.258 0.000 1.239 153 F CB -0.371 38.415 39.000 -0.356 0.000 0.991 153 F HN 0.108 nan 8.300 nan 0.000 0.474 154 Y N 0.619 120.934 120.300 0.026 0.000 2.224 154 Y HA -0.009 4.540 4.550 -0.001 0.000 0.289 154 Y C 2.740 178.250 175.900 -0.651 0.000 1.146 154 Y CA 0.714 58.693 58.100 -0.201 0.000 1.182 154 Y CB -1.595 36.921 38.460 0.093 0.000 0.983 154 Y HN 0.135 nan 8.280 nan 0.000 0.524 155 G N -0.455 107.883 108.800 -0.770 0.000 2.442 155 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.219 155 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.219 155 G C 1.887 176.490 174.900 -0.495 0.000 1.141 155 G CA 1.321 45.781 45.100 -1.067 0.000 0.763 155 G HN 0.307 nan 8.290 nan 0.000 0.554 156 V N 0.394 120.073 119.914 -0.391 0.000 2.343 156 V HA -0.185 3.934 4.120 -0.001 0.000 0.247 156 V C 3.032 178.929 176.094 -0.328 0.000 1.051 156 V CA 1.895 64.004 62.300 -0.318 0.000 1.036 156 V CB -0.309 31.297 31.823 -0.362 0.000 0.654 156 V HN 0.295 nan 8.190 nan 0.000 0.451 157 Q N -0.207 119.332 119.800 -0.434 0.000 2.084 157 Q HA -0.158 4.182 4.340 -0.001 0.000 0.202 157 Q C 2.355 178.164 176.000 -0.319 0.000 0.978 157 Q CA 2.200 57.770 55.803 -0.388 0.000 0.844 157 Q CB -1.080 27.457 28.738 -0.336 0.000 0.898 157 Q HN 0.665 nan 8.270 nan 0.000 0.426 158 T N 1.562 115.934 114.554 -0.303 0.000 2.622 158 T HA -0.165 4.185 4.350 -0.001 0.000 0.266 158 T C 1.526 176.124 174.700 -0.170 0.000 1.047 158 T CA 1.397 63.370 62.100 -0.210 0.000 1.159 158 T CB -0.630 68.149 68.868 -0.149 0.000 0.863 158 T HN 0.286 nan 8.240 nan 0.000 0.422 159 F N 2.514 122.282 119.950 -0.304 0.000 2.063 159 F HA -0.256 4.271 4.527 -0.001 0.000 0.298 159 F C 2.158 177.701 175.800 -0.429 0.000 1.105 159 F CA 1.643 59.467 58.000 -0.294 0.000 1.215 159 F CB -0.372 38.459 39.000 -0.281 0.000 0.972 159 F HN 0.037 nan 8.300 nan 0.000 0.483 160 K N -0.228 119.723 120.400 -0.749 0.000 2.044 160 K HA -0.268 4.052 4.320 -0.001 0.000 0.210 160 K C 2.050 178.265 176.600 -0.641 0.000 1.049 160 K CA 2.259 57.819 56.287 -1.211 0.000 0.927 160 K CB -0.443 31.498 32.500 -0.931 0.000 0.713 160 K HN 0.522 nan 8.250 nan 0.000 0.443 161 Q N 0.284 119.848 119.800 -0.393 0.000 2.311 161 Q HA -0.017 4.323 4.340 -0.001 0.000 0.203 161 Q C 1.989 177.863 176.000 -0.210 0.000 0.954 161 Q CA 0.652 56.316 55.803 -0.231 0.000 0.885 161 Q CB 0.089 28.726 28.738 -0.169 0.000 0.963 161 Q HN 0.310 nan 8.270 nan 0.000 0.471 162 L N 0.089 121.149 121.223 -0.271 0.000 2.313 162 L HA 0.017 4.357 4.340 -0.001 0.000 0.214 162 L C 0.405 177.130 176.870 -0.243 0.000 1.119 162 L CA 0.101 54.810 54.840 -0.218 0.000 0.809 162 L CB 0.474 42.424 42.059 -0.182 0.000 0.933 162 L HN -0.040 nan 8.230 nan 0.000 0.449 163 V N 0.961 120.683 119.914 -0.321 0.000 2.406 163 V HA 0.181 4.301 4.120 -0.001 0.000 0.272 163 V C 0.124 176.156 176.094 -0.103 0.000 1.043 163 V CA -0.435 61.722 62.300 -0.238 0.000 0.915 163 V CB 1.223 32.878 31.823 -0.280 0.000 0.988 163 V HN 0.076 nan 8.190 nan 0.000 0.466 164 K N 3.855 124.199 120.400 -0.094 0.000 2.535 164 K HA 0.359 4.679 4.320 -0.001 0.000 0.253 164 K C -0.063 176.502 176.600 -0.057 0.000 0.953 164 K CA -0.495 55.755 56.287 -0.062 0.000 0.863 164 K CB 0.873 33.336 32.500 -0.060 0.000 1.111 164 K HN 0.786 nan 8.250 nan 0.000 0.431 165 E N 2.243 122.413 120.200 -0.050 0.000 2.228 165 E HA -0.255 4.094 4.350 -0.001 0.000 0.213 165 E C -0.328 176.245 176.600 -0.045 0.000 1.282 165 E CA 0.910 57.280 56.400 -0.049 0.000 0.707 165 E CB -1.190 28.486 29.700 -0.040 0.000 1.150 165 E HN 0.897 nan 8.360 nan 0.000 0.362 166 S N -2.439 113.231 115.700 -0.049 0.000 2.829 166 S HA -0.234 4.236 4.470 -0.001 0.000 0.267 166 S C 0.208 174.781 174.600 -0.045 0.000 1.293 166 S CA 1.333 59.515 58.200 -0.030 0.000 1.375 166 S CB -0.542 62.655 63.200 -0.006 0.000 1.700 166 S HN 0.516 nan 8.310 nan 0.000 0.668 167 N N 0.940 119.597 118.700 -0.072 0.000 2.472 167 N HA 0.616 5.356 4.740 -0.001 0.000 0.277 167 N C -0.502 174.896 175.510 -0.188 0.000 1.081 167 N CA -0.003 52.979 53.050 -0.113 0.000 0.973 167 N CB 1.074 39.514 38.487 -0.079 0.000 1.105 167 N HN 0.550 nan 8.380 nan 0.000 0.470 168 I N 2.813 123.189 120.570 -0.322 0.000 2.582 168 I HA 0.415 4.585 4.170 -0.001 0.000 0.292 168 I C -2.379 173.508 176.117 -0.383 0.000 1.066 168 I CA -2.469 58.610 61.300 -0.368 0.000 1.053 168 I CB 2.838 40.586 38.000 -0.420 0.000 1.241 168 I HN 0.281 nan 8.210 nan 0.000 0.421 169 P HA 0.104 nan 4.420 nan 0.000 0.272 169 P C -1.270 175.956 177.300 -0.123 0.000 1.240 169 P CA -0.107 62.910 63.100 -0.139 0.000 0.791 169 P CB 0.496 32.149 31.700 -0.078 0.000 0.978 170 E N 0.086 120.274 120.200 -0.020 0.000 2.014 170 E HA 0.333 4.682 4.350 -0.001 0.000 0.275 170 E C -0.373 176.263 176.600 0.059 0.000 0.997 170 E CA -0.661 55.781 56.400 0.069 0.000 0.804 170 E CB 0.726 30.513 29.700 0.145 0.000 1.090 170 E HN 0.239 nan 8.360 nan 0.000 0.401 171 V N 0.812 120.764 119.914 0.064 0.000 2.823 171 V HA 0.561 4.680 4.120 -0.001 0.000 0.312 171 V C -0.563 175.575 176.094 0.073 0.000 1.072 171 V CA -1.175 61.159 62.300 0.057 0.000 0.937 171 V CB 2.163 34.013 31.823 0.044 0.000 1.013 171 V HN 0.375 nan 8.190 nan 0.000 0.430 172 N N 3.230 121.967 118.700 0.061 0.000 2.425 172 N HA 0.693 5.433 4.740 -0.001 0.000 0.268 172 N C -0.949 174.596 175.510 0.058 0.000 0.991 172 N CA -0.154 52.934 53.050 0.062 0.000 0.931 172 N CB 1.632 40.149 38.487 0.050 0.000 1.130 172 N HN 0.785 nan 8.380 nan 0.000 0.493 173 I N 0.950 121.564 120.570 0.073 0.000 2.498 173 I HA 0.341 4.511 4.170 -0.001 0.000 0.290 173 I C -0.075 176.050 176.117 0.013 0.000 1.032 173 I CA -0.744 60.588 61.300 0.054 0.000 1.073 173 I CB 2.212 40.279 38.000 0.112 0.000 1.251 173 I HN 0.397 nan 8.210 nan 0.000 0.426 174 T N 0.600 115.129 114.554 -0.042 0.000 2.876 174 T HA 0.721 5.071 4.350 -0.001 0.000 0.289 174 T C -1.099 173.490 174.700 -0.185 0.000 1.014 174 T CA -0.697 61.353 62.100 -0.083 0.000 0.986 174 T CB 2.550 71.432 68.868 0.024 0.000 1.021 174 T HN 0.511 nan 8.240 nan 0.000 0.458 175 D N 0.867 121.079 120.400 -0.313 0.000 2.717 175 D HA 0.586 5.225 4.640 -0.001 0.000 0.223 175 D C -1.788 174.429 176.300 -0.137 0.000 1.240 175 D CA -0.268 53.511 54.000 -0.368 0.000 0.801 175 D CB 1.729 42.239 40.800 -0.483 0.000 1.556 175 D HN 0.791 nan 8.370 nan 0.000 0.462 176 Y N -1.004 119.209 120.300 -0.145 0.000 2.638 176 Y HA 0.570 5.120 4.550 -0.001 0.000 0.334 176 Y C -3.109 172.045 175.900 -1.242 0.000 1.182 176 Y CA -1.815 55.985 58.100 -0.500 0.000 1.102 176 Y CB 0.652 38.936 38.460 -0.294 0.000 1.343 176 Y HN 0.063 nan 8.280 nan 0.000 0.463 177 P HA 0.250 nan 4.420 nan 0.000 0.279 177 P C 0.083 177.030 177.300 -0.589 0.000 1.252 177 P CA -0.137 62.072 63.100 -1.485 0.000 0.811 177 P CB 2.034 33.133 31.700 -1.001 0.000 1.035 178 T N -0.112 114.156 114.554 -0.476 0.000 2.812 178 T HA 0.032 4.382 4.350 -0.001 0.000 0.264 178 T C 0.886 175.470 174.700 -0.193 0.000 1.042 178 T CA 1.040 62.985 62.100 -0.260 0.000 1.140 178 T CB -0.095 68.613 68.868 -0.266 0.000 0.870 178 T HN 0.200 nan 8.240 nan 0.000 0.445 179 V N 1.186 120.985 119.914 -0.193 0.000 2.513 179 V HA 0.356 4.475 4.120 -0.001 0.000 0.299 179 V C 1.185 177.238 176.094 -0.068 0.000 1.035 179 V CA -0.428 61.814 62.300 -0.095 0.000 0.889 179 V CB 1.797 33.578 31.823 -0.069 0.000 0.988 179 V HN 0.226 nan 8.190 nan 0.000 0.440 180 S N 3.222 118.911 115.700 -0.018 0.000 2.368 180 S HA 0.033 4.503 4.470 -0.001 0.000 0.224 180 S C 0.829 175.420 174.600 -0.015 0.000 1.029 180 S CA 1.229 59.428 58.200 -0.002 0.000 0.988 180 S CB 0.005 63.232 63.200 0.044 0.000 0.838 180 S HN 1.004 nan 8.310 nan 0.000 0.462 181 A N 1.087 123.860 122.820 -0.077 0.000 2.287 181 A HA 0.773 5.092 4.320 -0.001 0.000 0.317 181 A C -0.555 176.884 177.584 -0.242 0.000 1.220 181 A CA -0.747 51.121 52.037 -0.281 0.000 0.835 181 A CB 0.703 19.237 19.000 -0.776 0.000 1.180 181 A HN 0.494 nan 8.150 nan 0.000 0.500 182 R N 1.812 122.232 120.500 -0.133 0.000 2.532 182 R HA 0.723 5.063 4.340 -0.001 0.000 0.297 182 R C 0.235 176.506 176.300 -0.048 0.000 0.984 182 R CA -0.054 56.046 56.100 0.001 0.000 0.884 182 R CB 2.339 32.688 30.300 0.081 0.000 1.182 182 R HN 1.123 nan 8.270 nan 0.000 0.442 183 G N 1.965 110.735 108.800 -0.051 0.000 2.393 183 G HA2 0.372 4.331 3.960 -0.001 0.000 0.264 183 G HA3 0.372 4.331 3.960 -0.001 0.000 0.264 183 G C -1.881 172.928 174.900 -0.153 0.000 1.221 183 G CA -0.528 44.489 45.100 -0.139 0.000 0.912 183 G HN 0.267 nan 8.290 nan 0.000 0.483 184 I N 0.105 120.577 120.570 -0.164 0.000 2.509 184 I HA 0.639 4.809 4.170 -0.001 0.000 0.293 184 I C -0.339 175.757 176.117 -0.036 0.000 1.020 184 I CA -1.008 60.247 61.300 -0.076 0.000 1.088 184 I CB 1.955 39.955 38.000 -0.000 0.000 1.267 184 I HN 0.444 nan 8.210 nan 0.000 0.430 185 V N 6.295 126.083 119.914 -0.211 0.000 2.417 185 V HA 0.442 4.562 4.120 -0.001 0.000 0.291 185 V C -0.015 175.879 176.094 -0.334 0.000 1.024 185 V CA -0.350 61.724 62.300 -0.377 0.000 0.861 185 V CB 1.587 32.893 31.823 -0.862 0.000 0.985 185 V HN 0.854 nan 8.190 nan 0.000 0.436 186 E N 4.617 124.639 120.200 -0.296 0.000 1.979 186 E HA 0.367 4.717 4.350 -0.001 0.000 0.285 186 E C 0.840 177.037 176.600 -0.672 0.000 1.188 186 E CA 0.315 56.453 56.400 -0.437 0.000 1.214 186 E CB 0.087 29.569 29.700 -0.363 0.000 1.210 186 E HN 0.943 nan 8.360 nan 0.000 0.477 187 G N 3.065 111.583 108.800 -0.469 0.000 3.453 187 G HA2 0.082 4.042 3.960 -0.001 0.000 0.263 187 G HA3 0.082 4.042 3.960 -0.001 0.000 0.263 187 G C 0.066 174.834 174.900 -0.221 0.000 1.060 187 G CA -0.446 44.483 45.100 -0.285 0.000 0.793 187 G HN 0.393 nan 8.290 nan 0.000 0.532 188 F N -0.657 119.188 119.950 -0.175 0.000 2.406 188 F HA 0.719 5.245 4.527 -0.001 0.000 0.327 188 F C 0.024 175.733 175.800 -0.152 0.000 1.153 188 F CA -2.160 55.796 58.000 -0.073 0.000 1.218 188 F CB 0.391 39.332 39.000 -0.097 0.000 1.215 188 F HN -0.039 nan 8.300 nan 0.000 0.570 189 Y N 0.658 121.080 120.300 0.203 0.000 2.334 189 Y HA 0.587 5.136 4.550 -0.001 0.000 0.325 189 Y C 0.962 176.991 175.900 0.216 0.000 1.308 189 Y CA 0.296 58.474 58.100 0.130 0.000 1.389 189 Y CB 1.091 39.629 38.460 0.131 0.000 1.328 189 Y HN 1.112 nan 8.280 nan 0.000 0.532 190 G N -0.320 108.669 108.800 0.316 0.000 2.466 190 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.316 190 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.316 190 G C -0.928 174.085 174.900 0.189 0.000 1.270 190 G CA -0.835 44.400 45.100 0.226 0.000 0.982 190 G HN 0.589 nan 8.290 nan 0.000 0.506 191 T N 3.749 118.393 114.554 0.148 0.000 2.792 191 T HA 0.423 4.773 4.350 -0.001 0.000 0.286 191 T C -1.859 172.980 174.700 0.233 0.000 0.970 191 T CA 0.466 62.653 62.100 0.145 0.000 1.187 191 T CB 0.617 69.549 68.868 0.106 0.000 0.915 191 T HN 0.544 nan 8.240 nan 0.000 0.529 192 P HA 0.078 nan 4.420 nan 0.000 0.269 192 P C -0.053 177.492 177.300 0.408 0.000 1.209 192 P CA -0.707 62.533 63.100 0.233 0.000 0.776 192 P CB 0.400 32.169 31.700 0.115 0.000 0.876 193 W N 1.621 123.106 121.300 0.309 0.000 2.293 193 W HA 0.044 4.703 4.660 -0.001 0.000 0.342 193 W C 1.163 177.785 176.519 0.171 0.000 1.274 193 W CA -0.035 57.443 57.345 0.222 0.000 1.290 193 W CB -1.095 28.526 29.460 0.269 0.000 1.176 193 W HN 0.332 nan 8.180 nan 0.000 0.570 194 T N -1.171 113.584 114.554 0.335 0.000 2.816 194 T HA 0.034 4.384 4.350 -0.001 0.000 0.282 194 T C 1.080 175.937 174.700 0.262 0.000 0.993 194 T CA 0.019 62.268 62.100 0.248 0.000 0.994 194 T CB 1.014 69.976 68.868 0.156 0.000 1.025 194 T HN 0.498 nan 8.240 nan 0.000 0.529 195 H N 0.723 119.885 119.070 0.154 0.000 2.319 195 H HA -0.114 4.442 4.556 -0.001 0.000 0.297 195 H C 2.218 177.589 175.328 0.072 0.000 1.097 195 H CA 2.393 58.517 56.048 0.127 0.000 1.285 195 H CB -0.138 29.678 29.762 0.089 0.000 1.368 195 H HN 0.526 nan 8.280 nan 0.000 0.495 196 Q N 0.251 120.061 119.800 0.018 0.000 2.124 196 Q HA -0.119 4.221 4.340 -0.001 0.000 0.202 196 Q C 1.861 177.777 176.000 -0.139 0.000 0.977 196 Q CA 1.351 57.101 55.803 -0.087 0.000 0.850 196 Q CB -0.224 28.500 28.738 -0.024 0.000 0.901 196 Q HN 0.633 nan 8.270 nan 0.000 0.429 197 D N 0.224 120.559 120.400 -0.108 0.000 2.097 197 D HA -0.126 4.514 4.640 -0.001 0.000 0.195 197 D C 2.044 178.157 176.300 -0.311 0.000 0.989 197 D CA 0.948 54.800 54.000 -0.246 0.000 0.827 197 D CB -0.092 40.548 40.800 -0.267 0.000 0.966 197 D HN 0.213 nan 8.370 nan 0.000 0.456 198 R N 0.159 120.589 120.500 -0.115 0.000 2.073 198 R HA -0.024 4.316 4.340 -0.001 0.000 0.234 198 R C 2.631 178.797 176.300 -0.224 0.000 1.134 198 R CA 0.637 56.699 56.100 -0.064 0.000 0.952 198 R CB -0.452 29.976 30.300 0.213 0.000 0.850 198 R HN 0.201 nan 8.270 nan 0.000 0.433 199 L N 0.511 121.582 121.223 -0.252 0.000 2.043 199 L HA -0.251 4.089 4.340 -0.001 0.000 0.212 199 L C 2.185 178.918 176.870 -0.228 0.000 1.075 199 L CA 1.674 56.368 54.840 -0.243 0.000 0.752 199 L CB -0.529 41.368 42.059 -0.270 0.000 0.891 199 L HN 0.244 nan 8.230 nan 0.000 0.432 200 D N -1.060 119.194 120.400 -0.243 0.000 2.097 200 D HA -0.206 4.434 4.640 -0.001 0.000 0.195 200 D C 2.282 178.406 176.300 -0.294 0.000 0.989 200 D CA 0.972 54.834 54.000 -0.229 0.000 0.827 200 D CB 0.155 40.817 40.800 -0.230 0.000 0.966 200 D HN 0.153 nan 8.370 nan 0.000 0.456 201 Q N 0.125 119.650 119.800 -0.459 0.000 2.077 201 Q HA -0.167 4.173 4.340 -0.001 0.000 0.206 201 Q C 2.624 177.967 176.000 -1.095 0.000 0.989 201 Q CA 1.050 56.425 55.803 -0.714 0.000 0.853 201 Q CB -0.469 27.811 28.738 -0.763 0.000 0.907 201 Q HN 0.507 nan 8.270 nan 0.000 0.418 202 I N 0.777 120.894 120.570 -0.756 0.000 2.151 202 I HA -0.324 3.846 4.170 -0.001 0.000 0.243 202 I C 2.421 178.400 176.117 -0.230 0.000 1.080 202 I CA 1.371 62.381 61.300 -0.484 0.000 1.339 202 I CB -0.238 37.659 38.000 -0.172 0.000 1.039 202 I HN 0.185 nan 8.210 nan 0.000 0.409 203 K N 0.052 120.360 120.400 -0.152 0.000 2.032 203 K HA -0.227 4.093 4.320 -0.001 0.000 0.209 203 K C 2.152 178.767 176.600 0.025 0.000 1.048 203 K CA 1.728 58.002 56.287 -0.022 0.000 0.927 203 K CB -0.371 32.118 32.500 -0.018 0.000 0.712 203 K HN 0.163 nan 8.250 nan 0.000 0.441 204 F N 1.046 120.896 119.950 -0.166 0.000 2.126 204 F HA -0.279 4.248 4.527 -0.001 0.000 0.299 204 F C 1.785 177.643 175.800 0.096 0.000 1.096 204 F CA 1.457 59.413 58.000 -0.073 0.000 1.255 204 F CB -0.236 38.687 39.000 -0.129 0.000 0.997 204 F HN 0.015 nan 8.300 nan 0.000 0.479 205 Y N 0.446 120.727 120.300 -0.031 0.000 2.114 205 Y HA -0.011 4.539 4.550 -0.001 0.000 0.284 205 Y C 2.845 178.730 175.900 -0.026 0.000 1.143 205 Y CA 0.614 58.672 58.100 -0.070 0.000 1.135 205 Y CB -1.714 36.786 38.460 0.065 0.000 0.980 205 Y HN 0.092 nan 8.280 nan 0.000 0.499 206 G N -0.105 108.842 108.800 0.246 0.000 2.440 206 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.218 206 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.218 206 G C 1.556 176.623 174.900 0.277 0.000 1.154 206 G CA 1.061 46.397 45.100 0.394 0.000 0.767 206 G HN 0.448 nan 8.290 nan 0.000 0.552 207 E N 0.378 120.602 120.200 0.041 0.000 2.204 207 E HA -0.066 4.283 4.350 -0.001 0.000 0.195 207 E C 1.425 177.900 176.600 -0.207 0.000 0.990 207 E CA 0.631 56.969 56.400 -0.103 0.000 0.821 207 E CB 0.003 29.633 29.700 -0.116 0.000 0.750 207 E HN 0.396 nan 8.360 nan 0.000 0.477 208 N N 0.247 118.777 118.700 -0.283 0.000 2.214 208 N HA 0.050 4.789 4.740 -0.001 0.000 0.214 208 N C -0.519 174.790 175.510 -0.335 0.000 1.132 208 N CA 0.140 52.963 53.050 -0.380 0.000 0.856 208 N CB 0.749 38.908 38.487 -0.548 0.000 1.020 208 N HN 0.055 nan 8.380 nan 0.000 0.509 209 K N 0.193 120.461 120.400 -0.221 0.000 3.281 209 K HA -0.155 4.164 4.320 -0.001 0.000 0.295 209 K C -0.491 176.013 176.600 -0.160 0.000 1.233 209 K CA 0.481 56.508 56.287 -0.432 0.000 0.866 209 K CB -1.820 30.007 32.500 -1.123 0.000 1.265 209 K HN 0.230 nan 8.250 nan 0.000 0.482 210 L N 1.934 123.157 121.223 -0.001 0.000 2.319 210 L HA 0.131 4.471 4.340 -0.001 0.000 0.280 210 L C 1.269 178.230 176.870 0.152 0.000 1.099 210 L CA -0.363 54.505 54.840 0.046 0.000 0.828 210 L CB 0.513 42.550 42.059 -0.036 0.000 1.150 210 L HN 0.216 nan 8.230 nan 0.000 0.442 211 N N -0.220 118.559 118.700 0.132 0.000 2.200 211 N HA 0.066 4.806 4.740 -0.001 0.000 0.224 211 N C -0.433 175.145 175.510 0.114 0.000 1.179 211 N CA -0.330 52.827 53.050 0.178 0.000 0.877 211 N CB 0.874 39.495 38.487 0.223 0.000 1.072 211 N HN 0.393 nan 8.380 nan 0.000 0.519 212 T N 0.594 115.187 114.554 0.066 0.000 2.991 212 T HA 0.241 4.590 4.350 -0.001 0.000 0.303 212 T C -2.201 172.580 174.700 0.136 0.000 1.015 212 T CA -0.474 61.656 62.100 0.051 0.000 1.007 212 T CB 1.458 70.246 68.868 -0.133 0.000 1.034 212 T HN 0.167 nan 8.240 nan 0.000 0.446 213 Y N 4.158 124.493 120.300 0.059 0.000 2.327 213 Y HA 0.594 5.143 4.550 -0.001 0.000 0.325 213 Y C -1.309 174.570 175.900 -0.035 0.000 0.999 213 Y CA -1.924 56.230 58.100 0.090 0.000 1.195 213 Y CB 0.491 39.145 38.460 0.323 0.000 1.132 213 Y HN 0.622 nan 8.280 nan 0.000 0.455 214 I N 7.749 128.200 120.570 -0.198 0.000 2.308 214 I HA 0.089 4.259 4.170 -0.001 0.000 0.293 214 I C -0.851 174.874 176.117 -0.654 0.000 1.078 214 I CA -0.666 60.399 61.300 -0.392 0.000 1.292 214 I CB 0.248 38.141 38.000 -0.179 0.000 1.423 214 I HN 0.607 nan 8.210 nan 0.000 0.493 215 Y N 7.297 126.938 120.300 -1.099 0.000 2.452 215 Y HA 0.531 5.080 4.550 -0.001 0.000 0.348 215 Y C 0.238 175.649 175.900 -0.814 0.000 0.985 215 Y CA -0.632 56.858 58.100 -1.016 0.000 1.214 215 Y CB 0.815 38.586 38.460 -1.149 0.000 1.136 215 Y HN 0.607 nan 8.280 nan 0.000 0.523 216 A N 8.155 130.334 122.820 -1.067 0.000 3.455 216 A HA 0.345 4.665 4.320 -0.001 0.000 0.225 216 A C -3.066 173.715 177.584 -1.338 0.000 1.052 216 A CA -1.018 50.273 52.037 -1.242 0.000 1.005 216 A CB -0.255 18.203 19.000 -0.903 0.000 1.318 216 A HN 0.507 nan 8.150 nan 0.000 0.639 217 P HA 0.172 nan 4.420 nan 0.000 0.275 217 P C 0.472 177.311 177.300 -0.768 0.000 1.227 217 P CA -0.078 62.473 63.100 -0.916 0.000 0.781 217 P CB 1.041 32.355 31.700 -0.644 0.000 0.906 218 K N 1.895 121.968 120.400 -0.545 0.000 2.281 218 K HA -0.144 4.175 4.320 -0.001 0.000 0.203 218 K C 1.126 177.650 176.600 -0.126 0.000 1.046 218 K CA 1.402 57.528 56.287 -0.268 0.000 0.938 218 K CB -0.610 31.708 32.500 -0.303 0.000 0.737 218 K HN 0.620 nan 8.250 nan 0.000 0.458 219 D N 0.476 120.789 120.400 -0.145 0.000 2.349 219 D HA -0.098 4.541 4.640 -0.001 0.000 0.224 219 D C -0.347 175.972 176.300 0.032 0.000 1.029 219 D CA 0.181 54.163 54.000 -0.031 0.000 0.879 219 D CB 0.012 40.814 40.800 0.003 0.000 0.906 219 D HN -0.114 nan 8.370 nan 0.000 0.528 220 D N 0.696 121.113 120.400 0.027 0.000 2.460 220 D HA 0.210 4.849 4.640 -0.001 0.000 0.232 220 D C -1.833 174.581 176.300 0.190 0.000 1.079 220 D CA -2.321 51.783 54.000 0.173 0.000 0.864 220 D CB 2.085 43.015 40.800 0.217 0.000 1.048 220 D HN -0.157 nan 8.370 nan 0.000 0.523 221 P HA -0.130 nan 4.420 nan 0.000 0.218 221 P C 0.800 177.928 177.300 -0.286 0.000 1.148 221 P CA 1.007 63.991 63.100 -0.193 0.000 0.822 221 P CB -0.032 31.422 31.700 -0.410 0.000 0.784 222 Y N -1.582 118.726 120.300 0.013 0.000 2.680 222 Y HA -0.119 4.430 4.550 -0.001 0.000 0.303 222 Y C 2.351 178.341 175.900 0.150 0.000 1.166 222 Y CA 1.039 59.069 58.100 -0.116 0.000 1.344 222 Y CB -1.223 36.795 38.460 -0.737 0.000 1.002 222 Y HN 0.323 nan 8.280 nan 0.000 0.537 223 H N -2.031 117.120 119.070 0.136 0.000 2.648 223 H HA 0.325 4.881 4.556 -0.001 0.000 0.265 223 H C 1.935 177.223 175.328 -0.065 0.000 0.961 223 H CA 0.297 56.355 56.048 0.016 0.000 1.185 223 H CB 0.398 29.971 29.762 -0.315 0.000 1.449 223 H HN 0.121 nan 8.280 nan 0.000 0.523 224 R N -0.131 120.062 120.500 -0.511 0.000 5.072 224 R HA 0.035 4.374 4.340 -0.001 0.000 0.116 224 R C 1.231 177.459 176.300 -0.120 0.000 1.152 224 R CA 0.537 56.351 56.100 -0.476 0.000 0.887 224 R CB 0.284 30.142 30.300 -0.737 0.000 1.367 224 R HN 0.221 nan 8.270 nan 0.000 0.403 225 E N 1.682 121.784 120.200 -0.164 0.000 2.265 225 E HA -0.131 4.219 4.350 -0.001 0.000 0.196 225 E C 0.096 176.590 176.600 -0.178 0.000 0.996 225 E CA 1.130 57.458 56.400 -0.121 0.000 0.832 225 E CB 0.060 29.687 29.700 -0.122 0.000 0.756 225 E HN 0.322 nan 8.360 nan 0.000 0.491 226 K N 1.051 121.294 120.400 -0.261 0.000 3.084 226 K HA 0.125 4.444 4.320 -0.001 0.000 0.210 226 K C 0.905 177.351 176.600 -0.256 0.000 1.137 226 K CA -0.368 55.702 56.287 -0.361 0.000 1.010 226 K CB 0.030 32.163 32.500 -0.612 0.000 0.806 226 K HN 0.199 nan 8.250 nan 0.000 0.460 227 W N 0.772 121.953 121.300 -0.199 0.000 2.392 227 W HA -0.149 4.511 4.660 -0.000 0.000 0.279 227 W C 0.709 177.169 176.519 -0.097 0.000 1.225 227 W CA 0.430 57.696 57.345 -0.132 0.000 1.233 227 W CB -0.424 28.931 29.460 -0.175 0.000 1.122 227 W HN 0.057 nan 8.180 nan 0.000 0.561 228 R N 1.064 121.019 120.500 -0.908 0.000 2.189 228 R HA 0.015 4.355 4.340 -0.001 0.000 0.218 228 R C 0.282 176.361 176.300 -0.369 0.000 1.074 228 R CA 0.785 56.351 56.100 -0.890 0.000 0.991 228 R CB -0.147 29.325 30.300 -1.379 0.000 0.883 228 R HN 0.275 nan 8.270 nan 0.000 0.457 229 E N 1.399 121.460 120.200 -0.232 0.000 2.227 229 E HA 0.208 4.557 4.350 -0.001 0.000 0.282 229 E C -2.450 174.142 176.600 -0.013 0.000 1.015 229 E CA -2.502 53.853 56.400 -0.076 0.000 0.823 229 E CB 1.039 30.748 29.700 0.015 0.000 1.081 229 E HN -0.111 nan 8.360 nan 0.000 0.396 230 P HA -0.108 nan 4.420 nan 0.000 0.268 230 P C -0.970 176.202 177.300 -0.213 0.000 1.208 230 P CA 0.253 63.314 63.100 -0.065 0.000 0.777 230 P CB 0.248 31.939 31.700 -0.014 0.000 0.875 231 Y N 2.937 123.079 120.300 -0.263 0.000 2.620 231 Y HA 0.051 4.600 4.550 -0.001 0.000 0.330 231 Y C -1.048 174.651 175.900 -0.335 0.000 1.186 231 Y CA -0.772 57.027 58.100 -0.503 0.000 1.467 231 Y CB -0.768 37.504 38.460 -0.315 0.000 1.262 231 Y HN 0.372 nan 8.280 nan 0.000 0.550 232 P HA 0.030 nan 4.420 nan 0.000 0.275 232 P C 0.245 177.522 177.300 -0.039 0.000 1.266 232 P CA -0.261 62.788 63.100 -0.084 0.000 0.793 232 P CB 1.012 32.679 31.700 -0.054 0.000 1.074 233 E N 0.245 120.433 120.200 -0.021 0.000 2.118 233 E HA -0.135 4.214 4.350 -0.001 0.000 0.195 233 E C 1.803 178.391 176.600 -0.021 0.000 0.992 233 E CA 1.830 58.219 56.400 -0.019 0.000 0.804 233 E CB -0.627 29.066 29.700 -0.011 0.000 0.741 233 E HN 0.562 nan 8.360 nan 0.000 0.458 234 S N 0.371 116.065 115.700 -0.009 0.000 2.515 234 S HA -0.046 4.424 4.470 -0.001 0.000 0.231 234 S C 1.428 176.023 174.600 -0.009 0.000 0.987 234 S CA 0.596 58.793 58.200 -0.004 0.000 0.936 234 S CB 0.128 63.337 63.200 0.016 0.000 0.766 234 S HN 0.056 nan 8.310 nan 0.000 0.528 235 E N 0.353 120.545 120.200 -0.013 0.000 2.476 235 E HA 0.277 4.627 4.350 -0.001 0.000 0.199 235 E C 1.522 178.055 176.600 -0.112 0.000 1.021 235 E CA 0.063 56.451 56.400 -0.019 0.000 0.907 235 E CB -0.025 29.725 29.700 0.083 0.000 0.974 235 E HN 0.537 nan 8.360 nan 0.000 0.489 236 M N 0.056 119.596 119.600 -0.100 0.000 2.200 236 M HA -0.077 4.402 4.480 -0.001 0.000 0.265 236 M C 2.246 178.464 176.300 -0.138 0.000 1.066 236 M CA 1.159 56.381 55.300 -0.131 0.000 1.127 236 M CB -0.457 32.094 32.600 -0.081 0.000 1.379 236 M HN 0.100 nan 8.290 nan 0.000 0.420 237 Q N 0.581 120.316 119.800 -0.110 0.000 2.079 237 Q HA -0.181 4.159 4.340 -0.001 0.000 0.200 237 Q C 2.204 178.125 176.000 -0.132 0.000 0.974 237 Q CA 1.472 57.213 55.803 -0.103 0.000 0.840 237 Q CB 0.032 28.722 28.738 -0.080 0.000 0.898 237 Q HN 0.373 nan 8.270 nan 0.000 0.430 238 R N -0.451 119.940 120.500 -0.181 0.000 2.080 238 R HA -0.157 4.183 4.340 -0.001 0.000 0.236 238 R C 2.229 178.439 176.300 -0.151 0.000 1.137 238 R CA 1.857 57.802 56.100 -0.258 0.000 0.943 238 R CB -0.122 30.012 30.300 -0.277 0.000 0.846 238 R HN 0.321 nan 8.270 nan 0.000 0.431 239 M N 0.393 119.849 119.600 -0.241 0.000 2.117 239 M HA -0.179 4.301 4.480 -0.001 0.000 0.262 239 M C 2.229 178.324 176.300 -0.341 0.000 1.065 239 M CA 1.597 56.685 55.300 -0.354 0.000 1.114 239 M CB -0.926 31.342 32.600 -0.553 0.000 1.361 239 M HN 0.170 nan 8.290 nan 0.000 0.408 240 Q N 0.714 120.366 119.800 -0.247 0.000 2.084 240 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 240 Q C 1.776 177.667 176.000 -0.182 0.000 0.978 240 Q CA 1.775 57.451 55.803 -0.211 0.000 0.844 240 Q CB -0.140 28.512 28.738 -0.144 0.000 0.898 240 Q HN 0.536 nan 8.270 nan 0.000 0.426 241 E N -0.520 119.618 120.200 -0.103 0.000 2.085 241 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 241 E C 1.941 178.489 176.600 -0.087 0.000 0.994 241 E CA 1.278 57.656 56.400 -0.037 0.000 0.801 241 E CB -0.148 29.621 29.700 0.115 0.000 0.743 241 E HN 0.368 nan 8.360 nan 0.000 0.453 242 L N 0.366 121.512 121.223 -0.129 0.000 2.027 242 L HA -0.178 4.162 4.340 -0.001 0.000 0.206 242 L C 2.439 179.055 176.870 -0.424 0.000 1.074 242 L CA 0.885 55.602 54.840 -0.205 0.000 0.745 242 L CB -0.441 41.495 42.059 -0.205 0.000 0.898 242 L HN 0.149 nan 8.230 nan 0.000 0.433 243 I N 0.149 120.310 120.570 -0.682 0.000 2.127 243 I HA -0.299 3.871 4.170 -0.001 0.000 0.241 243 I C 2.308 178.255 176.117 -0.282 0.000 1.075 243 I CA 1.272 62.185 61.300 -0.644 0.000 1.334 243 I CB -0.518 37.151 38.000 -0.552 0.000 1.040 243 I HN 0.304 nan 8.210 nan 0.000 0.405 244 N N 1.125 119.698 118.700 -0.212 0.000 2.104 244 N HA -0.181 4.559 4.740 -0.001 0.000 0.190 244 N C 1.863 177.319 175.510 -0.091 0.000 1.024 244 N CA 1.823 54.797 53.050 -0.126 0.000 0.853 244 N CB -0.544 37.883 38.487 -0.100 0.000 1.008 244 N HN 0.420 nan 8.380 nan 0.000 0.424 245 A N 0.339 123.109 122.820 -0.084 0.000 1.930 245 A HA -0.033 4.286 4.320 -0.001 0.000 0.217 245 A C 2.483 180.056 177.584 -0.019 0.000 1.175 245 A CA 1.484 53.492 52.037 -0.049 0.000 0.627 245 A CB -0.658 18.309 19.000 -0.055 0.000 0.815 245 A HN 0.244 nan 8.150 nan 0.000 0.443 246 S N 0.102 115.811 115.700 0.014 0.000 2.359 246 S HA -0.149 4.320 4.470 -0.001 0.000 0.223 246 S C 2.358 176.966 174.600 0.014 0.000 1.039 246 S CA 1.479 59.739 58.200 0.099 0.000 1.042 246 S CB -0.584 62.753 63.200 0.228 0.000 0.915 246 S HN 0.821 nan 8.310 nan 0.000 0.439 247 A N 1.447 124.248 122.820 -0.033 0.000 1.908 247 A HA -0.175 4.145 4.320 -0.001 0.000 0.218 247 A C 1.952 179.458 177.584 -0.129 0.000 1.181 247 A CA 1.640 53.634 52.037 -0.072 0.000 0.627 247 A CB -0.662 18.294 19.000 -0.072 0.000 0.818 247 A HN 0.582 nan 8.150 nan 0.000 0.445 248 E N -0.308 119.830 120.200 -0.103 0.000 2.265 248 E HA -0.116 4.234 4.350 -0.001 0.000 0.196 248 E C 0.578 177.061 176.600 -0.195 0.000 0.996 248 E CA 0.857 57.195 56.400 -0.104 0.000 0.832 248 E CB -0.082 29.597 29.700 -0.035 0.000 0.756 248 E HN 0.554 nan 8.360 nan 0.000 0.491 249 N N 0.208 118.768 118.700 -0.234 0.000 2.234 249 N HA 0.017 4.757 4.740 -0.001 0.000 0.227 249 N C -0.623 174.533 175.510 -0.588 0.000 1.151 249 N CA 0.072 52.936 53.050 -0.310 0.000 0.865 249 N CB 0.841 39.345 38.487 0.027 0.000 1.066 249 N HN -0.075 nan 8.380 nan 0.000 0.515 250 K N -0.030 120.014 120.400 -0.594 0.000 3.016 250 K HA -0.125 4.194 4.320 -0.001 0.000 0.262 250 K C -0.536 176.011 176.600 -0.088 0.000 1.043 250 K CA 0.303 56.344 56.287 -0.409 0.000 0.761 250 K CB -2.371 29.726 32.500 -0.673 0.000 1.230 250 K HN 0.029 nan 8.250 nan 0.000 0.485 251 V N 1.867 121.787 119.914 0.008 0.000 2.383 251 V HA 0.112 4.232 4.120 -0.001 0.000 0.275 251 V C 0.574 176.770 176.094 0.172 0.000 1.036 251 V CA -0.696 61.698 62.300 0.158 0.000 0.889 251 V CB 1.537 33.523 31.823 0.271 0.000 0.985 251 V HN 0.093 nan 8.190 nan 0.000 0.459 252 D N 4.386 124.886 120.400 0.166 0.000 2.346 252 D HA 0.088 4.728 4.640 -0.001 0.000 0.260 252 D C -0.337 176.095 176.300 0.221 0.000 1.252 252 D CA 0.231 54.329 54.000 0.164 0.000 0.895 252 D CB 0.770 41.644 40.800 0.124 0.000 1.097 252 D HN 0.416 nan 8.370 nan 0.000 0.489 253 F N 3.799 123.791 119.950 0.070 0.000 2.375 253 F HA 0.196 4.723 4.527 -0.000 0.000 0.362 253 F C -0.453 175.341 175.800 -0.010 0.000 1.129 253 F CA -0.676 57.353 58.000 0.048 0.000 1.154 253 F CB 0.529 39.545 39.000 0.026 0.000 1.205 253 F HN -0.019 nan 8.300 nan 0.000 0.513 254 V N 8.025 127.713 119.914 -0.376 0.000 2.364 254 V HA 0.130 4.250 4.120 -0.001 0.000 0.272 254 V C -0.217 175.611 176.094 -0.443 0.000 1.036 254 V CA -0.743 61.399 62.300 -0.264 0.000 0.880 254 V CB 0.722 32.501 31.823 -0.075 0.000 0.991 254 V HN 0.609 nan 8.190 nan 0.000 0.460 255 F N 4.209 123.925 119.950 -0.389 0.000 2.444 255 F HA 0.602 5.129 4.527 -0.001 0.000 0.360 255 F C 0.986 176.748 175.800 -0.064 0.000 1.106 255 F CA -0.224 57.662 58.000 -0.189 0.000 1.170 255 F CB 0.635 39.645 39.000 0.015 0.000 1.113 255 F HN 0.555 nan 8.300 nan 0.000 0.521 256 G N 7.789 116.188 108.800 -0.667 0.000 2.325 256 G HA2 0.436 4.396 3.960 -0.001 0.000 0.298 256 G HA3 0.436 4.396 3.960 -0.001 0.000 0.298 256 G C -1.114 173.412 174.900 -0.622 0.000 1.134 256 G CA -0.529 44.243 45.100 -0.546 0.000 0.876 256 G HN 0.640 nan 8.290 nan 0.000 0.452 257 I N 1.813 122.168 120.570 -0.358 0.000 2.465 257 I HA 0.456 4.626 4.170 -0.001 0.000 0.291 257 I C -0.542 175.274 176.117 -0.501 0.000 1.014 257 I CA -0.696 60.450 61.300 -0.257 0.000 1.093 257 I CB 2.212 40.217 38.000 0.007 0.000 1.267 257 I HN 0.303 nan 8.210 nan 0.000 0.431 258 S N 9.062 124.423 115.700 -0.566 0.000 2.406 258 S HA 0.353 4.823 4.470 -0.001 0.000 0.224 258 S C -2.034 172.161 174.600 -0.674 0.000 1.426 258 S CA -0.956 56.887 58.200 -0.596 0.000 1.179 258 S CB 0.902 63.787 63.200 -0.525 0.000 1.042 258 S HN 0.534 nan 8.310 nan 0.000 0.479 259 P HA 0.131 nan 4.420 nan 0.000 0.249 259 P C 1.515 178.386 177.300 -0.715 0.000 1.229 259 P CA 0.174 62.365 63.100 -1.516 0.000 0.788 259 P CB -0.104 30.435 31.700 -1.936 0.000 1.072 260 G N 1.022 109.587 108.800 -0.393 0.000 2.462 260 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.220 260 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.220 260 G C 1.427 176.316 174.900 -0.019 0.000 1.121 260 G CA 0.226 45.281 45.100 -0.075 0.000 0.758 260 G HN 0.324 nan 8.290 nan 0.000 0.559 261 I N 1.001 121.536 120.570 -0.059 0.000 2.185 261 I HA -0.240 3.930 4.170 -0.001 0.000 0.246 261 I C 1.370 177.525 176.117 0.063 0.000 1.088 261 I CA 2.475 63.780 61.300 0.009 0.000 1.347 261 I CB 0.162 38.167 38.000 0.008 0.000 1.041 261 I HN 0.403 nan 8.210 nan 0.000 0.415 262 D N -1.169 119.298 120.400 0.112 0.000 2.682 262 D HA 0.110 4.750 4.640 -0.001 0.000 0.291 262 D C 0.216 176.616 176.300 0.167 0.000 1.585 262 D CA -0.423 53.660 54.000 0.138 0.000 0.845 262 D CB -1.108 39.772 40.800 0.133 0.000 1.323 262 D HN 0.297 nan 8.370 nan 0.000 0.438 263 I N 1.150 121.777 120.570 0.094 0.000 2.752 263 I HA 0.195 4.365 4.170 -0.001 0.000 0.287 263 I C -0.123 175.871 176.117 -0.205 0.000 1.188 263 I CA -0.034 61.267 61.300 0.001 0.000 1.427 263 I CB 0.375 38.208 38.000 -0.280 0.000 1.365 263 I HN -0.083 nan 8.210 nan 0.000 0.585 264 R N 5.852 126.258 120.500 -0.157 0.000 2.474 264 R HA 0.398 4.738 4.340 -0.001 0.000 0.295 264 R C -0.540 175.593 176.300 -0.277 0.000 0.980 264 R CA -0.376 55.628 56.100 -0.159 0.000 0.934 264 R CB 1.194 31.509 30.300 0.026 0.000 1.101 264 R HN 0.571 nan 8.270 nan 0.000 0.469 265 F N -0.500 119.538 119.950 0.147 0.000 2.557 265 F HA 0.185 4.712 4.527 -0.000 0.000 0.278 265 F C 0.247 176.099 175.800 0.087 0.000 1.051 265 F CA -0.296 57.778 58.000 0.124 0.000 1.357 265 F CB 0.196 39.248 39.000 0.087 0.000 1.104 265 F HN 0.432 nan 8.300 nan 0.000 0.654 266 D N 0.462 121.015 120.400 0.255 0.000 2.414 266 D HA 0.391 5.031 4.640 -0.001 0.000 0.242 266 D C 0.975 177.344 176.300 0.115 0.000 1.129 266 D CA 1.304 55.397 54.000 0.154 0.000 0.885 266 D CB 0.407 41.280 40.800 0.122 0.000 1.198 266 D HN 0.363 nan 8.370 nan 0.000 0.437 267 G N 2.707 111.558 108.800 0.085 0.000 2.627 267 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.312 267 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.312 267 G C 0.718 175.660 174.900 0.070 0.000 1.299 267 G CA 0.572 45.711 45.100 0.065 0.000 0.989 267 G HN 0.569 nan 8.290 nan 0.000 0.547 268 D N 0.556 120.991 120.400 0.059 0.000 2.183 268 D HA 0.214 4.853 4.640 -0.001 0.000 0.203 268 D C 2.760 179.102 176.300 0.070 0.000 0.969 268 D CA 1.887 55.921 54.000 0.058 0.000 0.842 268 D CB -0.765 40.060 40.800 0.043 0.000 0.957 268 D HN 0.723 nan 8.370 nan 0.000 0.484 269 A N 1.046 123.909 122.820 0.073 0.000 1.883 269 A HA -0.061 4.259 4.320 -0.001 0.000 0.217 269 A C 2.394 180.043 177.584 0.108 0.000 1.186 269 A CA 2.206 54.293 52.037 0.083 0.000 0.624 269 A CB -1.276 17.768 19.000 0.075 0.000 0.822 269 A HN 0.288 nan 8.150 nan 0.000 0.444 270 G N -0.473 108.397 108.800 0.116 0.000 2.529 270 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.219 270 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.219 270 G C 1.473 176.487 174.900 0.190 0.000 1.177 270 G CA 1.214 46.405 45.100 0.151 0.000 0.773 270 G HN 0.471 nan 8.290 nan 0.000 0.573 271 E N 0.302 120.592 120.200 0.149 0.000 2.049 271 E HA -0.181 4.169 4.350 -0.001 0.000 0.198 271 E C 2.363 179.059 176.600 0.159 0.000 1.007 271 E CA 1.414 57.905 56.400 0.152 0.000 0.809 271 E CB -0.413 29.342 29.700 0.091 0.000 0.749 271 E HN 0.738 nan 8.360 nan 0.000 0.450 272 E N 0.216 120.476 120.200 0.100 0.000 2.118 272 E HA -0.206 4.144 4.350 -0.001 0.000 0.195 272 E C 1.351 177.980 176.600 0.048 0.000 0.992 272 E CA 1.430 57.844 56.400 0.023 0.000 0.804 272 E CB 0.095 29.811 29.700 0.026 0.000 0.741 272 E HN 0.086 nan 8.360 nan 0.000 0.458 273 D N -0.480 120.047 120.400 0.211 0.000 2.162 273 D HA -0.087 4.553 4.640 -0.001 0.000 0.203 273 D C 1.463 177.996 176.300 0.388 0.000 0.967 273 D CA 0.434 54.652 54.000 0.363 0.000 0.840 273 D CB -0.308 40.718 40.800 0.377 0.000 0.972 273 D HN 0.203 nan 8.370 nan 0.000 0.482 274 F N 1.844 121.923 119.950 0.215 0.000 2.126 274 F HA -0.186 4.340 4.527 -0.001 0.000 0.299 274 F C 1.850 177.759 175.800 0.182 0.000 1.096 274 F CA 1.208 59.337 58.000 0.214 0.000 1.255 274 F CB -0.111 38.998 39.000 0.182 0.000 0.997 274 F HN -0.114 nan 8.300 nan 0.000 0.479 275 N N -0.473 118.307 118.700 0.135 0.000 2.188 275 N HA -0.181 4.558 4.740 -0.001 0.000 0.184 275 N C 1.837 177.285 175.510 -0.102 0.000 1.018 275 N CA 1.279 54.320 53.050 -0.015 0.000 0.858 275 N CB -0.706 37.770 38.487 -0.019 0.000 0.989 275 N HN 0.423 nan 8.380 nan 0.000 0.426 276 H N 1.003 120.075 119.070 0.002 0.000 2.353 276 H HA -0.016 4.539 4.556 -0.001 0.000 0.300 276 H C 2.232 177.561 175.328 0.001 0.000 1.090 276 H CA 0.481 56.495 56.048 -0.056 0.000 1.327 276 H CB -0.338 29.304 29.762 -0.200 0.000 1.383 276 H HN 0.163 nan 8.280 nan 0.000 0.508 277 L N 0.457 121.809 121.223 0.215 0.000 2.012 277 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 277 L C 2.245 179.064 176.870 -0.086 0.000 1.073 277 L CA 1.139 56.039 54.840 0.100 0.000 0.748 277 L CB -0.290 41.711 42.059 -0.097 0.000 0.891 277 L HN 0.171 nan 8.230 nan 0.000 0.431 278 I N -0.090 120.341 120.570 -0.231 0.000 2.127 278 I HA -0.300 3.870 4.170 -0.001 0.000 0.241 278 I C 2.774 178.796 176.117 -0.159 0.000 1.075 278 I CA 2.142 63.294 61.300 -0.246 0.000 1.334 278 I CB -1.744 36.139 38.000 -0.196 0.000 1.040 278 I HN 0.393 nan 8.210 nan 0.000 0.405 279 T N -0.160 114.354 114.554 -0.066 0.000 2.833 279 T HA -0.216 4.133 4.350 -0.001 0.000 0.269 279 T C 1.950 176.647 174.700 -0.006 0.000 1.054 279 T CA 1.743 63.834 62.100 -0.014 0.000 1.135 279 T CB 0.014 68.888 68.868 0.009 0.000 0.869 279 T HN 0.083 nan 8.240 nan 0.000 0.466 280 K N 1.562 121.958 120.400 -0.008 0.000 2.025 280 K HA 0.292 4.612 4.320 -0.001 0.000 0.207 280 K C 2.455 179.040 176.600 -0.025 0.000 1.049 280 K CA 1.566 57.857 56.287 0.007 0.000 0.933 280 K CB -1.224 31.314 32.500 0.064 0.000 0.714 280 K HN 0.387 nan 8.250 nan 0.000 0.438 281 A N 0.808 123.523 122.820 -0.175 0.000 1.892 281 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 281 A C 2.182 179.675 177.584 -0.152 0.000 1.188 281 A CA 2.235 54.004 52.037 -0.446 0.000 0.631 281 A CB -0.893 17.319 19.000 -1.312 0.000 0.822 281 A HN 0.550 nan 8.150 nan 0.000 0.447 282 E N 0.821 120.970 120.200 -0.084 0.000 2.070 282 E HA -0.197 4.153 4.350 -0.001 0.000 0.197 282 E C 2.202 178.965 176.600 0.273 0.000 1.004 282 E CA 2.244 58.808 56.400 0.275 0.000 0.805 282 E CB -0.379 29.437 29.700 0.194 0.000 0.744 282 E HN 0.697 nan 8.360 nan 0.000 0.451 283 S N -0.430 115.364 115.700 0.157 0.000 2.402 283 S HA -0.123 4.346 4.470 -0.001 0.000 0.229 283 S C 2.071 176.768 174.600 0.161 0.000 1.021 283 S CA 1.136 59.417 58.200 0.136 0.000 0.974 283 S CB -0.492 62.755 63.200 0.078 0.000 0.800 283 S HN 0.315 nan 8.310 nan 0.000 0.484 284 L N -0.569 120.773 121.223 0.199 0.000 2.072 284 L HA 0.061 4.400 4.340 -0.001 0.000 0.205 284 L C 2.567 179.638 176.870 0.335 0.000 1.079 284 L CA 1.460 56.426 54.840 0.209 0.000 0.752 284 L CB -0.737 41.418 42.059 0.161 0.000 0.906 284 L HN 0.275 nan 8.230 nan 0.000 0.436 285 Y N 1.243 121.806 120.300 0.439 0.000 2.151 285 Y HA -0.335 4.215 4.550 -0.001 0.000 0.284 285 Y C 2.213 178.240 175.900 0.211 0.000 1.166 285 Y CA 1.898 60.250 58.100 0.421 0.000 1.163 285 Y CB -0.123 38.650 38.460 0.522 0.000 0.974 285 Y HN 0.226 nan 8.280 nan 0.000 0.511 286 D N -0.062 120.534 120.400 0.327 0.000 2.264 286 D HA -0.142 4.498 4.640 -0.001 0.000 0.208 286 D C 1.719 178.049 176.300 0.051 0.000 0.966 286 D CA 1.671 55.779 54.000 0.180 0.000 0.864 286 D CB -0.291 40.614 40.800 0.175 0.000 0.933 286 D HN 0.637 nan 8.370 nan 0.000 0.499 287 M N -3.115 116.501 119.600 0.025 0.000 2.383 287 M HA 0.413 4.893 4.480 -0.001 0.000 0.247 287 M C 1.050 177.293 176.300 -0.095 0.000 1.117 287 M CA 0.397 55.670 55.300 -0.045 0.000 0.995 287 M CB 1.109 33.669 32.600 -0.067 0.000 1.480 287 M HN -0.059 nan 8.290 nan 0.000 0.485 288 G N 0.685 109.420 108.800 -0.108 0.000 2.227 288 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.168 288 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.168 288 G C -0.128 174.694 174.900 -0.131 0.000 1.006 288 G CA -0.407 44.597 45.100 -0.159 0.000 0.684 288 G HN 0.273 nan 8.290 nan 0.000 0.489 289 V N 1.893 121.779 119.914 -0.047 0.000 2.529 289 V HA 0.378 4.498 4.120 -0.001 0.000 0.292 289 V C 1.354 177.468 176.094 0.033 0.000 1.028 289 V CA 0.250 62.557 62.300 0.012 0.000 1.074 289 V CB 1.290 33.120 31.823 0.012 0.000 0.958 289 V HN 0.297 nan 8.190 nan 0.000 0.481 290 R N 1.908 122.425 120.500 0.028 0.000 2.509 290 R HA 0.323 4.663 4.340 -0.001 0.000 0.297 290 R C -0.004 176.419 176.300 0.204 0.000 0.951 290 R CA -0.002 56.201 56.100 0.172 0.000 1.103 290 R CB 1.000 31.368 30.300 0.112 0.000 1.283 290 R HN 0.631 nan 8.270 nan 0.000 0.534 291 S N 0.201 115.882 115.700 -0.033 0.000 2.548 291 S HA 0.719 5.188 4.470 -0.001 0.000 0.286 291 S C -1.152 173.301 174.600 -0.245 0.000 1.098 291 S CA -0.418 57.819 58.200 0.061 0.000 0.930 291 S CB 1.800 65.073 63.200 0.121 0.000 1.070 291 S HN 0.013 nan 8.310 nan 0.000 0.480 292 F N 0.902 121.048 119.950 0.327 0.000 2.578 292 F HA 0.732 5.258 4.527 -0.001 0.000 0.311 292 F C 0.007 175.931 175.800 0.206 0.000 1.094 292 F CA -0.709 57.475 58.000 0.306 0.000 0.923 292 F CB 1.852 41.095 39.000 0.405 0.000 1.230 292 F HN 0.664 nan 8.300 nan 0.000 0.450 293 A N 3.575 126.570 122.820 0.292 0.000 2.356 293 A HA 0.886 5.206 4.320 -0.001 0.000 0.310 293 A C -1.230 176.424 177.584 0.117 0.000 1.075 293 A CA -0.549 51.617 52.037 0.214 0.000 0.746 293 A CB 0.909 20.073 19.000 0.273 0.000 1.221 293 A HN 0.718 nan 8.150 nan 0.000 0.443 294 I N 2.602 123.190 120.570 0.031 0.000 2.382 294 I HA 0.278 4.447 4.170 -0.001 0.000 0.286 294 I C -1.051 174.896 176.117 -0.282 0.000 1.002 294 I CA -0.239 60.917 61.300 -0.239 0.000 1.135 294 I CB 1.141 38.900 38.000 -0.401 0.000 1.288 294 I HN 0.670 nan 8.210 nan 0.000 0.448 295 Y N 4.286 124.204 120.300 -0.637 0.000 2.308 295 Y HA 0.143 4.693 4.550 -0.001 0.000 0.329 295 Y C -0.008 175.434 175.900 -0.764 0.000 1.111 295 Y CA -0.605 57.177 58.100 -0.530 0.000 1.179 295 Y CB 1.409 39.666 38.460 -0.337 0.000 1.201 295 Y HN 0.648 nan 8.280 nan 0.000 0.483 296 W N 1.325 122.597 121.300 -0.047 0.000 2.653 296 W HA 0.078 4.737 4.660 -0.000 0.000 0.391 296 W C 1.110 177.561 176.519 -0.114 0.000 0.962 296 W CA -0.453 56.797 57.345 -0.158 0.000 1.900 296 W CB 0.453 29.755 29.460 -0.263 0.000 1.176 296 W HN 0.591 nan 8.180 nan 0.000 0.582 297 D N 0.458 120.890 120.400 0.053 0.000 2.312 297 D HA -0.150 4.489 4.640 -0.001 0.000 0.211 297 D C 0.686 177.031 176.300 0.076 0.000 0.964 297 D CA 1.226 55.255 54.000 0.047 0.000 0.877 297 D CB -0.222 40.442 40.800 -0.227 0.000 0.924 297 D HN 0.296 nan 8.370 nan 0.000 0.515 298 D N 0.030 120.462 120.400 0.054 0.000 2.673 298 D HA 0.161 4.800 4.640 -0.001 0.000 0.278 298 D C 0.195 176.528 176.300 0.055 0.000 1.393 298 D CA -0.676 53.350 54.000 0.043 0.000 0.805 298 D CB -0.693 40.123 40.800 0.025 0.000 1.110 298 D HN 0.275 nan 8.370 nan 0.000 0.476 299 I N 0.606 121.235 120.570 0.099 0.000 2.488 299 I HA 0.105 4.275 4.170 -0.001 0.000 0.299 299 I C 0.948 177.144 176.117 0.132 0.000 0.984 299 I CA -0.464 60.925 61.300 0.150 0.000 1.250 299 I CB 1.816 39.981 38.000 0.276 0.000 1.389 299 I HN -0.222 nan 8.210 nan 0.000 0.488 300 Q N 2.831 122.710 119.800 0.132 0.000 2.061 300 Q HA -0.030 4.310 4.340 -0.001 0.000 0.195 300 Q C 0.156 176.234 176.000 0.129 0.000 0.967 300 Q CA 0.998 56.862 55.803 0.102 0.000 0.829 300 Q CB -0.416 28.371 28.738 0.081 0.000 0.900 300 Q HN 0.604 nan 8.270 nan 0.000 0.450 301 D N 2.431 122.951 120.400 0.200 0.000 2.389 301 D HA -0.075 4.565 4.640 -0.001 0.000 0.278 301 D C 0.000 176.428 176.300 0.214 0.000 1.398 301 D CA 0.255 54.387 54.000 0.220 0.000 1.090 301 D CB -0.014 41.004 40.800 0.363 0.000 1.108 301 D HN 0.009 nan 8.370 nan 0.000 0.532 302 K N 1.945 122.399 120.400 0.090 0.000 3.192 302 K HA 0.066 4.386 4.320 -0.001 0.000 0.269 302 K C -0.494 176.076 176.600 -0.050 0.000 1.270 302 K CA -0.472 55.840 56.287 0.042 0.000 1.249 302 K CB -0.347 32.139 32.500 -0.024 0.000 1.528 302 K HN 0.162 nan 8.250 nan 0.000 0.360 303 S N -0.097 115.401 115.700 -0.337 0.000 2.461 303 S HA 0.397 4.867 4.470 -0.001 0.000 0.322 303 S C 1.011 175.137 174.600 -0.790 0.000 1.063 303 S CA -0.689 57.241 58.200 -0.451 0.000 1.120 303 S CB 1.729 64.659 63.200 -0.451 0.000 0.968 303 S HN 0.349 nan 8.310 nan 0.000 0.467 304 A N 4.027 126.527 122.820 -0.534 0.000 1.902 304 A HA 0.132 4.452 4.320 -0.001 0.000 0.217 304 A C 2.337 179.625 177.584 -0.493 0.000 1.181 304 A CA 1.588 53.200 52.037 -0.708 0.000 0.623 304 A CB -1.321 17.128 19.000 -0.919 0.000 0.818 304 A HN 1.254 nan 8.150 nan 0.000 0.443 305 A N -0.234 122.336 122.820 -0.417 0.000 1.908 305 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 305 A C 2.123 179.484 177.584 -0.372 0.000 1.181 305 A CA 1.991 53.825 52.037 -0.337 0.000 0.627 305 A CB -0.395 18.453 19.000 -0.254 0.000 0.818 305 A HN 0.571 nan 8.150 nan 0.000 0.445 306 K N -1.359 118.721 120.400 -0.533 0.000 2.116 306 K HA -0.028 4.292 4.320 -0.001 0.000 0.203 306 K C 1.858 178.102 176.600 -0.593 0.000 1.052 306 K CA 1.205 57.112 56.287 -0.634 0.000 0.952 306 K CB -0.311 31.518 32.500 -1.119 0.000 0.729 306 K HN 0.753 nan 8.250 nan 0.000 0.446 307 H N 0.113 118.684 119.070 -0.833 0.000 2.319 307 H HA -0.111 4.445 4.556 -0.001 0.000 0.299 307 H C 2.148 177.257 175.328 -0.366 0.000 1.092 307 H CA 0.854 56.298 56.048 -1.006 0.000 1.302 307 H CB 0.004 29.103 29.762 -1.106 0.000 1.373 307 H HN 0.255 nan 8.280 nan 0.000 0.497 308 A N 0.959 123.617 122.820 -0.270 0.000 1.969 308 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 308 A C 2.294 179.792 177.584 -0.143 0.000 1.169 308 A CA 1.651 53.462 52.037 -0.375 0.000 0.635 308 A CB -0.409 18.211 19.000 -0.633 0.000 0.810 308 A HN 0.387 nan 8.150 nan 0.000 0.445 309 Q N 0.194 119.924 119.800 -0.117 0.000 2.050 309 Q HA -0.110 4.230 4.340 -0.001 0.000 0.202 309 Q C 1.744 177.799 176.000 0.093 0.000 0.980 309 Q CA 2.375 58.157 55.803 -0.036 0.000 0.840 309 Q CB -0.740 27.963 28.738 -0.058 0.000 0.898 309 Q HN 0.286 nan 8.270 nan 0.000 0.424 310 V N 0.843 120.894 119.914 0.229 0.000 2.287 310 V HA -0.292 3.828 4.120 -0.001 0.000 0.248 310 V C 2.419 178.831 176.094 0.530 0.000 1.053 310 V CA 1.978 64.567 62.300 0.482 0.000 1.027 310 V CB -0.686 31.565 31.823 0.713 0.000 0.646 310 V HN 0.420 nan 8.190 nan 0.000 0.447 311 L N 0.030 121.516 121.223 0.438 0.000 2.017 311 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 311 L C 2.481 179.557 176.870 0.343 0.000 1.073 311 L CA 1.659 56.743 54.840 0.407 0.000 0.745 311 L CB -0.785 41.478 42.059 0.341 0.000 0.894 311 L HN 0.390 nan 8.230 nan 0.000 0.432 312 N N -0.209 118.613 118.700 0.204 0.000 2.142 312 N HA -0.150 4.590 4.740 -0.001 0.000 0.186 312 N C 1.912 177.524 175.510 0.170 0.000 1.023 312 N CA 0.967 54.100 53.050 0.139 0.000 0.852 312 N CB -0.275 38.235 38.487 0.038 0.000 0.998 312 N HN 0.189 nan 8.380 nan 0.000 0.424 313 R N -0.365 120.235 120.500 0.167 0.000 2.115 313 R HA -0.029 4.311 4.340 -0.001 0.000 0.230 313 R C 1.886 178.452 176.300 0.444 0.000 1.111 313 R CA 0.627 56.789 56.100 0.104 0.000 0.976 313 R CB -0.355 29.729 30.300 -0.360 0.000 0.870 313 R HN 0.217 nan 8.270 nan 0.000 0.445 314 F N 1.548 121.805 119.950 0.511 0.000 2.163 314 F HA -0.127 4.399 4.527 -0.001 0.000 0.297 314 F C 2.121 178.105 175.800 0.307 0.000 1.094 314 F CA 1.442 59.714 58.000 0.454 0.000 1.290 314 F CB -0.414 38.771 39.000 0.309 0.000 1.017 314 F HN 0.059 nan 8.300 nan 0.000 0.483 315 N N -0.084 118.852 118.700 0.392 0.000 2.104 315 N HA -0.214 4.526 4.740 -0.001 0.000 0.190 315 N C 1.728 177.310 175.510 0.120 0.000 1.024 315 N CA 1.459 54.657 53.050 0.247 0.000 0.853 315 N CB -0.017 38.606 38.487 0.227 0.000 1.008 315 N HN 0.340 nan 8.380 nan 0.000 0.424 316 E N 0.716 120.990 120.200 0.123 0.000 2.051 316 E HA -0.079 4.271 4.350 -0.001 0.000 0.189 316 E C 1.380 178.002 176.600 0.038 0.000 0.979 316 E CA 0.927 57.367 56.400 0.068 0.000 0.803 316 E CB -0.100 29.638 29.700 0.064 0.000 0.761 316 E HN 0.518 nan 8.360 nan 0.000 0.451 317 E N -1.157 119.094 120.200 0.085 0.000 2.478 317 E HA 0.016 4.365 4.350 -0.001 0.000 0.194 317 E C 1.015 177.611 176.600 -0.006 0.000 1.045 317 E CA 0.073 56.520 56.400 0.077 0.000 0.868 317 E CB 0.332 30.166 29.700 0.223 0.000 0.885 317 E HN 0.088 nan 8.360 nan 0.000 0.505 318 F N -0.512 119.235 119.950 -0.338 0.000 2.182 318 F HA 0.038 4.564 4.527 -0.001 0.000 0.254 318 F C 1.868 177.438 175.800 -0.382 0.000 0.972 318 F CA 0.122 57.795 58.000 -0.544 0.000 1.182 318 F CB -0.181 38.104 39.000 -1.192 0.000 1.382 318 F HN -0.279 nan 8.300 nan 0.000 0.718 319 V N 1.755 121.541 119.914 -0.213 0.000 2.231 319 V HA -0.363 3.756 4.120 -0.001 0.000 0.248 319 V C 2.239 178.281 176.094 -0.087 0.000 1.054 319 V CA 2.601 64.871 62.300 -0.051 0.000 1.015 319 V CB -0.767 31.146 31.823 0.150 0.000 0.638 319 V HN 0.265 nan 8.190 nan 0.000 0.444 320 K N -0.168 120.198 120.400 -0.057 0.000 2.057 320 K HA -0.059 4.260 4.320 -0.001 0.000 0.206 320 K C 2.342 178.884 176.600 -0.096 0.000 1.050 320 K CA 1.306 57.567 56.287 -0.043 0.000 0.935 320 K CB -0.465 32.030 32.500 -0.009 0.000 0.715 320 K HN 0.461 nan 8.250 nan 0.000 0.439 321 A N 2.011 124.742 122.820 -0.149 0.000 1.948 321 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 321 A C 1.910 179.352 177.584 -0.238 0.000 1.177 321 A CA 1.603 53.535 52.037 -0.176 0.000 0.636 321 A CB -0.241 18.643 19.000 -0.193 0.000 0.815 321 A HN 0.083 nan 8.150 nan 0.000 0.449 322 K N -1.897 118.285 120.400 -0.363 0.000 2.155 322 K HA 0.021 4.341 4.320 -0.001 0.000 0.203 322 K C 1.744 178.264 176.600 -0.134 0.000 1.052 322 K CA 1.079 57.138 56.287 -0.380 0.000 0.948 322 K CB -0.669 31.456 32.500 -0.625 0.000 0.728 322 K HN 0.804 nan 8.250 nan 0.000 0.448 323 G N 2.041 110.797 108.800 -0.073 0.000 2.396 323 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.242 323 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.242 323 G C 0.392 175.325 174.900 0.054 0.000 1.069 323 G CA 0.832 45.932 45.100 -0.000 0.000 0.633 323 G HN 0.480 nan 8.290 nan 0.000 0.517 324 D N 0.406 120.865 120.400 0.099 0.000 2.538 324 D HA 0.422 5.061 4.640 -0.001 0.000 0.231 324 D C 0.383 176.801 176.300 0.198 0.000 1.229 324 D CA -0.162 53.921 54.000 0.139 0.000 0.828 324 D CB 0.170 41.051 40.800 0.135 0.000 1.035 324 D HN 0.389 nan 8.370 nan 0.000 0.495 325 V N 1.297 121.337 119.914 0.209 0.000 2.439 325 V HA 0.166 4.286 4.120 -0.001 0.000 0.282 325 V C 0.776 177.027 176.094 0.260 0.000 1.039 325 V CA -0.856 61.627 62.300 0.305 0.000 0.913 325 V CB 1.574 33.612 31.823 0.358 0.000 0.983 325 V HN 0.013 nan 8.190 nan 0.000 0.460 326 K N 4.482 125.049 120.400 0.278 0.000 2.286 326 K HA 0.208 4.528 4.320 -0.001 0.000 0.256 326 K C -2.295 174.476 176.600 0.285 0.000 0.999 326 K CA -1.372 55.065 56.287 0.250 0.000 0.908 326 K CB 0.010 32.655 32.500 0.242 0.000 0.981 326 K HN 0.377 nan 8.250 nan 0.000 0.500 327 P HA -0.057 nan 4.420 nan 0.000 0.263 327 P C 0.044 177.523 177.300 0.299 0.000 1.175 327 P CA 0.148 63.400 63.100 0.253 0.000 0.761 327 P CB 0.368 32.202 31.700 0.222 0.000 0.794 328 L N 4.141 125.552 121.223 0.314 0.000 2.525 328 L HA 0.111 4.451 4.340 -0.001 0.000 0.278 328 L C 0.151 177.165 176.870 0.239 0.000 1.218 328 L CA 0.446 55.492 54.840 0.344 0.000 0.878 328 L CB 0.019 42.301 42.059 0.372 0.000 1.127 328 L HN 0.321 nan 8.230 nan 0.000 0.492 329 I N 3.187 123.885 120.570 0.214 0.000 2.603 329 I HA 0.403 4.573 4.170 -0.001 0.000 0.300 329 I C -0.036 176.147 176.117 0.111 0.000 1.017 329 I CA -0.275 61.080 61.300 0.092 0.000 1.098 329 I CB 2.143 40.163 38.000 0.034 0.000 1.279 329 I HN 0.477 nan 8.210 nan 0.000 0.437 330 T N 4.014 118.611 114.554 0.071 0.000 2.894 330 T HA 0.594 4.944 4.350 -0.001 0.000 0.309 330 T C -1.553 173.142 174.700 -0.008 0.000 1.208 330 T CA -0.418 61.748 62.100 0.111 0.000 1.016 330 T CB 1.594 70.686 68.868 0.374 0.000 1.192 330 T HN 0.214 nan 8.240 nan 0.000 0.491 331 V N 6.542 126.395 119.914 -0.101 0.000 2.326 331 V HA 0.484 4.604 4.120 -0.001 0.000 0.281 331 V C -2.220 173.859 176.094 -0.024 0.000 1.015 331 V CA -1.746 60.421 62.300 -0.222 0.000 0.823 331 V CB 1.262 32.708 31.823 -0.628 0.000 1.009 331 V HN 0.708 nan 8.190 nan 0.000 0.436 332 P HA 0.240 nan 4.420 nan 0.000 0.276 332 P C 0.940 178.269 177.300 0.049 0.000 1.244 332 P CA -0.150 62.865 63.100 -0.141 0.000 0.801 332 P CB 0.917 32.270 31.700 -0.579 0.000 1.006 333 T N -0.603 113.944 114.554 -0.012 0.000 2.759 333 T HA -0.147 4.203 4.350 -0.001 0.000 0.269 333 T C 0.428 174.981 174.700 -0.246 0.000 1.042 333 T CA 1.527 63.516 62.100 -0.184 0.000 1.140 333 T CB -0.430 68.136 68.868 -0.503 0.000 0.864 333 T HN 0.521 nan 8.240 nan 0.000 0.455 334 E N 0.968 120.983 120.200 -0.308 0.000 2.081 334 E HA 0.271 4.620 4.350 -0.001 0.000 0.281 334 E C -0.374 176.201 176.600 -0.041 0.000 0.986 334 E CA -0.387 55.880 56.400 -0.222 0.000 0.796 334 E CB 0.616 30.256 29.700 -0.100 0.000 1.085 334 E HN 0.704 nan 8.360 nan 0.000 0.398 335 Y N 0.824 121.087 120.300 -0.062 0.000 2.563 335 Y HA 0.244 4.794 4.550 -0.000 0.000 0.250 335 Y C -0.102 175.847 175.900 0.083 0.000 1.126 335 Y CA -0.817 57.273 58.100 -0.017 0.000 1.231 335 Y CB 0.520 38.878 38.460 -0.170 0.000 1.288 335 Y HN 0.237 nan 8.280 nan 0.000 0.537 336 D N -0.518 119.849 120.400 -0.054 0.000 2.419 336 D HA 0.178 4.818 4.640 -0.001 0.000 0.234 336 D C 0.020 176.422 176.300 0.171 0.000 1.014 336 D CA -0.509 53.565 54.000 0.123 0.000 0.919 336 D CB 2.301 43.082 40.800 -0.032 0.000 1.366 336 D HN -0.026 nan 8.370 nan 0.000 0.490 337 T N 0.693 115.417 114.554 0.284 0.000 2.788 337 T HA -0.048 4.302 4.350 -0.001 0.000 0.268 337 T C 1.858 176.608 174.700 0.084 0.000 1.044 337 T CA 1.566 63.791 62.100 0.209 0.000 1.139 337 T CB -0.526 68.498 68.868 0.260 0.000 0.867 337 T HN 0.703 nan 8.240 nan 0.000 0.454 338 G N 1.064 109.893 108.800 0.047 0.000 2.422 338 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.218 338 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.218 338 G C 1.724 176.599 174.900 -0.041 0.000 1.146 338 G CA 0.793 45.893 45.100 -0.001 0.000 0.769 338 G HN 0.595 nan 8.290 nan 0.000 0.547 339 A N -0.090 122.681 122.820 -0.083 0.000 2.067 339 A HA 0.339 4.658 4.320 -0.001 0.000 0.217 339 A C 2.294 179.837 177.584 -0.069 0.000 1.156 339 A CA 1.116 53.079 52.037 -0.123 0.000 0.683 339 A CB -0.144 18.707 19.000 -0.249 0.000 0.808 339 A HN 0.390 nan 8.150 nan 0.000 0.455 340 M N -1.214 118.378 119.600 -0.013 0.000 2.501 340 M HA 0.159 4.639 4.480 -0.001 0.000 0.261 340 M C -0.459 175.853 176.300 0.019 0.000 1.129 340 M CA 0.620 55.939 55.300 0.031 0.000 1.126 340 M CB 0.752 33.400 32.600 0.081 0.000 1.359 340 M HN 0.036 nan 8.290 nan 0.000 0.471 341 V N -0.732 119.187 119.914 0.009 0.000 2.841 341 V HA 0.491 4.610 4.120 -0.001 0.000 0.310 341 V C -0.988 175.103 176.094 -0.005 0.000 1.090 341 V CA -0.703 61.598 62.300 0.001 0.000 0.930 341 V CB 2.178 34.004 31.823 0.006 0.000 1.014 341 V HN 0.060 nan 8.190 nan 0.000 0.425 342 S N 3.598 119.292 115.700 -0.010 0.000 2.614 342 S HA 0.452 4.922 4.470 -0.001 0.000 0.288 342 S C -0.127 174.465 174.600 -0.012 0.000 1.137 342 S CA -0.645 57.548 58.200 -0.012 0.000 0.992 342 S CB 0.607 63.797 63.200 -0.016 0.000 1.026 342 S HN 0.913 nan 8.310 nan 0.000 0.486 343 N N 3.124 121.818 118.700 -0.009 0.000 2.705 343 N HA -0.211 4.529 4.740 -0.001 0.000 0.255 343 N C 0.892 176.395 175.510 -0.011 0.000 1.008 343 N CA 1.170 54.215 53.050 -0.009 0.000 0.742 343 N CB -1.727 36.754 38.487 -0.011 0.000 0.906 343 N HN 1.475 nan 8.380 nan 0.000 0.541 344 G N -1.432 107.362 108.800 -0.009 0.000 2.186 344 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.266 344 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.266 344 G C -0.054 174.832 174.900 -0.024 0.000 0.982 344 G CA 0.975 46.066 45.100 -0.014 0.000 0.670 344 G HN 0.568 nan 8.290 nan 0.000 0.533 345 Q N 0.025 119.810 119.800 -0.025 0.000 2.348 345 Q HA 0.483 4.823 4.340 -0.001 0.000 0.271 345 Q C -2.566 173.413 176.000 -0.035 0.000 1.067 345 Q CA -1.998 53.784 55.803 -0.034 0.000 0.839 345 Q CB 2.507 31.226 28.738 -0.032 0.000 1.354 345 Q HN 0.225 nan 8.270 nan 0.000 0.447 346 P HA 0.149 nan 4.420 nan 0.000 0.271 346 P C -0.293 176.988 177.300 -0.032 0.000 1.216 346 P CA -0.034 63.038 63.100 -0.047 0.000 0.776 346 P CB 0.952 32.600 31.700 -0.087 0.000 0.881 347 R N 1.484 121.977 120.500 -0.012 0.000 2.738 347 R HA 0.298 4.638 4.340 -0.001 0.000 0.275 347 R C 1.806 178.108 176.300 0.002 0.000 1.121 347 R CA -0.153 55.946 56.100 -0.003 0.000 1.207 347 R CB -0.160 30.144 30.300 0.007 0.000 1.141 347 R HN 0.465 nan 8.270 nan 0.000 0.571 348 A N 0.705 123.529 122.820 0.006 0.000 1.902 348 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 348 A C 2.033 179.619 177.584 0.003 0.000 1.181 348 A CA 1.448 53.480 52.037 -0.008 0.000 0.623 348 A CB -0.782 18.211 19.000 -0.012 0.000 0.818 348 A HN 0.852 nan 8.150 nan 0.000 0.443 349 Y N 1.092 121.358 120.300 -0.057 0.000 2.097 349 Y HA -0.227 4.323 4.550 -0.001 0.000 0.282 349 Y C 2.692 178.591 175.900 -0.002 0.000 1.152 349 Y CA 2.587 60.658 58.100 -0.048 0.000 1.136 349 Y CB -0.682 37.740 38.460 -0.063 0.000 0.975 349 Y HN 0.298 nan 8.280 nan 0.000 0.498 350 T N 0.866 115.502 114.554 0.136 0.000 2.746 350 T HA -0.222 4.127 4.350 -0.001 0.000 0.267 350 T C 1.908 176.539 174.700 -0.115 0.000 1.039 350 T CA 1.659 63.792 62.100 0.054 0.000 1.142 350 T CB -0.356 68.565 68.868 0.089 0.000 0.866 350 T HN 0.334 nan 8.240 nan 0.000 0.444 351 R N 0.423 120.859 120.500 -0.107 0.000 2.083 351 R HA -0.062 4.278 4.340 -0.001 0.000 0.237 351 R C 2.316 178.518 176.300 -0.164 0.000 1.137 351 R CA 1.556 57.570 56.100 -0.142 0.000 0.951 351 R CB -0.400 29.839 30.300 -0.101 0.000 0.851 351 R HN 0.385 nan 8.270 nan 0.000 0.434 352 I N -0.345 120.126 120.570 -0.165 0.000 2.233 352 I HA -0.218 3.951 4.170 -0.001 0.000 0.243 352 I C 2.095 178.084 176.117 -0.213 0.000 1.093 352 I CA 0.917 62.102 61.300 -0.192 0.000 1.380 352 I CB -0.313 37.560 38.000 -0.211 0.000 1.067 352 I HN 0.147 nan 8.210 nan 0.000 0.413 353 F N 1.678 121.382 119.950 -0.409 0.000 2.095 353 F HA -0.312 4.214 4.527 -0.001 0.000 0.298 353 F C 2.498 178.196 175.800 -0.171 0.000 1.104 353 F CA 1.766 59.564 58.000 -0.336 0.000 1.232 353 F CB -0.281 38.490 39.000 -0.383 0.000 0.987 353 F HN 0.023 nan 8.300 nan 0.000 0.475 354 A N 0.070 122.823 122.820 -0.112 0.000 1.902 354 A HA -0.244 4.076 4.320 -0.001 0.000 0.217 354 A C 2.110 179.569 177.584 -0.208 0.000 1.181 354 A CA 1.731 53.560 52.037 -0.346 0.000 0.623 354 A CB -1.051 17.413 19.000 -0.894 0.000 0.818 354 A HN 0.653 nan 8.150 nan 0.000 0.443 355 E N -0.703 119.378 120.200 -0.197 0.000 2.347 355 E HA -0.099 4.251 4.350 -0.001 0.000 0.196 355 E C 1.329 177.843 176.600 -0.143 0.000 1.008 355 E CA 1.506 57.818 56.400 -0.148 0.000 0.852 355 E CB -0.263 29.357 29.700 -0.133 0.000 0.783 355 E HN 0.479 nan 8.360 nan 0.000 0.505 356 T N 0.234 114.671 114.554 -0.195 0.000 3.039 356 T HA 0.112 4.461 4.350 -0.001 0.000 0.250 356 T C 0.674 175.248 174.700 -0.210 0.000 1.052 356 T CA 0.088 62.065 62.100 -0.206 0.000 1.125 356 T CB 0.482 69.192 68.868 -0.262 0.000 0.908 356 T HN 0.032 nan 8.240 nan 0.000 0.473 357 V N 3.635 123.385 119.914 -0.273 0.000 2.485 357 V HA 0.100 4.219 4.120 -0.001 0.000 0.287 357 V C -0.455 175.606 176.094 -0.054 0.000 1.022 357 V CA -0.579 61.581 62.300 -0.234 0.000 1.067 357 V CB 0.001 31.609 31.823 -0.359 0.000 0.967 357 V HN 0.343 nan 8.190 nan 0.000 0.479 358 D N 8.891 129.280 120.400 -0.018 0.000 2.730 358 D HA -0.033 4.607 4.640 -0.001 0.000 0.225 358 D C -1.409 174.929 176.300 0.064 0.000 1.107 358 D CA -0.640 53.380 54.000 0.033 0.000 0.837 358 D CB 0.801 41.639 40.800 0.063 0.000 1.171 358 D HN 0.433 nan 8.370 nan 0.000 0.498 359 P HA -0.151 nan 4.420 nan 0.000 0.218 359 P C 0.943 178.299 177.300 0.093 0.000 1.146 359 P CA 1.162 64.309 63.100 0.078 0.000 0.813 359 P CB 0.121 31.857 31.700 0.060 0.000 0.778 360 S N -1.963 113.795 115.700 0.096 0.000 2.528 360 S HA 0.069 4.538 4.470 -0.001 0.000 0.219 360 S C 0.823 175.502 174.600 0.132 0.000 0.985 360 S CA -0.064 58.203 58.200 0.112 0.000 0.914 360 S CB -0.864 62.403 63.200 0.111 0.000 0.776 360 S HN 0.036 nan 8.310 nan 0.000 0.526 361 I N 3.043 123.693 120.570 0.134 0.000 2.441 361 I HA 0.138 4.308 4.170 -0.001 0.000 0.287 361 I C 0.211 176.397 176.117 0.114 0.000 1.049 361 I CA -0.220 61.170 61.300 0.150 0.000 1.381 361 I CB 0.649 38.751 38.000 0.171 0.000 1.409 361 I HN 0.133 nan 8.210 nan 0.000 0.523 362 E N 6.069 126.318 120.200 0.081 0.000 2.290 362 E HA 0.209 4.559 4.350 -0.001 0.000 0.277 362 E C -0.795 175.779 176.600 -0.043 0.000 1.035 362 E CA -0.219 56.172 56.400 -0.016 0.000 0.873 362 E CB 1.679 31.283 29.700 -0.160 0.000 1.029 362 E HN 0.237 nan 8.360 nan 0.000 0.419 363 V N 5.199 125.069 119.914 -0.073 0.000 2.384 363 V HA 0.273 4.393 4.120 -0.001 0.000 0.287 363 V C 0.352 176.393 176.094 -0.088 0.000 1.020 363 V CA -0.534 61.701 62.300 -0.108 0.000 0.850 363 V CB 1.254 32.873 31.823 -0.341 0.000 0.987 363 V HN 0.587 nan 8.190 nan 0.000 0.436 364 M N 5.059 124.637 119.600 -0.037 0.000 2.249 364 M HA 0.493 4.973 4.480 -0.001 0.000 0.351 364 M C -0.609 175.837 176.300 0.242 0.000 1.180 364 M CA -0.087 55.268 55.300 0.090 0.000 1.127 364 M CB 1.286 33.914 32.600 0.047 0.000 1.546 364 M HN 0.888 nan 8.290 nan 0.000 0.461 365 W N 1.699 123.027 121.300 0.047 0.000 3.118 365 W HA 0.498 5.158 4.660 -0.001 0.000 0.328 365 W C -0.012 176.619 176.519 0.188 0.000 1.239 365 W CA -0.669 56.733 57.345 0.095 0.000 1.176 365 W CB 0.901 30.409 29.460 0.080 0.000 1.433 365 W HN 0.704 nan 8.180 nan 0.000 0.562 366 T N 0.535 114.990 114.554 -0.164 0.000 3.107 366 T HA 0.502 4.851 4.350 -0.001 0.000 0.249 366 T C 0.833 175.312 174.700 -0.368 0.000 1.096 366 T CA 0.704 62.698 62.100 -0.177 0.000 1.012 366 T CB -0.424 68.433 68.868 -0.018 0.000 0.977 366 T HN 1.942 nan 8.240 nan 0.000 0.527 367 G N 1.867 110.035 108.800 -1.055 0.000 2.526 367 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.250 367 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.250 367 G C -2.475 172.488 174.900 0.106 0.000 1.289 367 G CA -0.411 44.432 45.100 -0.428 0.000 0.947 367 G HN 0.037 nan 8.290 nan 0.000 0.517 368 P HA 0.149 nan 4.420 nan 0.000 0.221 368 P C 1.124 178.495 177.300 0.119 0.000 1.145 368 P CA 2.481 65.696 63.100 0.192 0.000 0.795 368 P CB -0.039 31.753 31.700 0.154 0.000 0.775 369 G N -2.870 105.980 108.800 0.083 0.000 2.721 369 G HA2 0.324 4.284 3.960 -0.001 0.000 0.296 369 G HA3 0.324 4.284 3.960 -0.001 0.000 0.296 369 G C 0.473 175.390 174.900 0.028 0.000 1.383 369 G CA -0.432 44.694 45.100 0.045 0.000 0.788 369 G HN -0.221 nan 8.290 nan 0.000 0.500 370 V N -0.706 119.233 119.914 0.042 0.000 2.307 370 V HA 0.024 4.143 4.120 -0.001 0.000 0.245 370 V C 0.877 176.986 176.094 0.025 0.000 1.045 370 V CA 1.247 63.594 62.300 0.077 0.000 1.024 370 V CB -0.223 31.673 31.823 0.122 0.000 0.651 370 V HN 0.371 nan 8.190 nan 0.000 0.449 371 V N 1.269 121.177 119.914 -0.009 0.000 2.380 371 V HA 0.547 4.666 4.120 -0.001 0.000 0.286 371 V C -0.295 175.682 176.094 -0.196 0.000 1.015 371 V CA -0.230 61.930 62.300 -0.233 0.000 0.834 371 V CB 1.152 32.662 31.823 -0.522 0.000 1.009 371 V HN 0.548 nan 8.190 nan 0.000 0.428 372 T N -0.097 114.350 114.554 -0.179 0.000 2.906 372 T HA 0.416 4.765 4.350 -0.001 0.000 0.295 372 T C 0.714 175.439 174.700 0.042 0.000 1.075 372 T CA -0.824 61.253 62.100 -0.038 0.000 1.005 372 T CB 1.866 70.773 68.868 0.065 0.000 1.136 372 T HN 0.212 nan 8.240 nan 0.000 0.498 373 N N 1.370 120.117 118.700 0.079 0.000 2.149 373 N HA -0.050 4.690 4.740 -0.001 0.000 0.188 373 N C 0.610 176.256 175.510 0.227 0.000 1.019 373 N CA 1.538 54.661 53.050 0.122 0.000 0.857 373 N CB -0.167 38.364 38.487 0.073 0.000 0.997 373 N HN 0.944 nan 8.380 nan 0.000 0.426 374 E N -1.216 119.131 120.200 0.246 0.000 2.437 374 E HA 0.405 4.754 4.350 -0.001 0.000 0.280 374 E C -1.328 175.368 176.600 0.162 0.000 1.044 374 E CA -0.672 55.831 56.400 0.172 0.000 0.826 374 E CB 1.140 30.856 29.700 0.027 0.000 1.358 374 E HN -0.129 nan 8.360 nan 0.000 0.459 375 I N 1.854 122.422 120.570 -0.004 0.000 2.464 375 I HA 0.314 4.483 4.170 -0.001 0.000 0.277 375 I C -2.340 173.809 176.117 0.053 0.000 1.040 375 I CA -2.240 59.084 61.300 0.040 0.000 1.153 375 I CB 1.297 39.273 38.000 -0.041 0.000 1.274 375 I HN 0.298 nan 8.210 nan 0.000 0.469 376 P HA 0.062 nan 4.420 nan 0.000 0.272 376 P C 0.822 178.201 177.300 0.132 0.000 1.240 376 P CA -0.506 62.646 63.100 0.086 0.000 0.791 376 P CB 1.415 33.162 31.700 0.078 0.000 0.978 377 L N 2.268 123.570 121.223 0.131 0.000 2.043 377 L HA -0.255 4.084 4.340 -0.001 0.000 0.212 377 L C 2.443 179.392 176.870 0.132 0.000 1.075 377 L CA 2.777 57.726 54.840 0.181 0.000 0.752 377 L CB -1.600 40.567 42.059 0.180 0.000 0.891 377 L HN 0.504 nan 8.230 nan 0.000 0.432 378 S N -1.863 113.889 115.700 0.088 0.000 2.382 378 S HA -0.243 4.227 4.470 -0.001 0.000 0.228 378 S C 1.834 176.443 174.600 0.015 0.000 1.027 378 S CA 1.263 59.483 58.200 0.034 0.000 0.991 378 S CB -0.846 62.378 63.200 0.040 0.000 0.823 378 S HN 0.616 nan 8.310 nan 0.000 0.469 379 D N 2.072 122.528 120.400 0.093 0.000 2.097 379 D HA 0.018 4.657 4.640 -0.001 0.000 0.195 379 D C 2.090 178.478 176.300 0.146 0.000 0.989 379 D CA 1.399 55.494 54.000 0.158 0.000 0.827 379 D CB -0.530 40.442 40.800 0.286 0.000 0.966 379 D HN 0.487 nan 8.370 nan 0.000 0.456 380 A N 0.111 123.057 122.820 0.210 0.000 1.898 380 A HA -0.215 4.105 4.320 -0.001 0.000 0.216 380 A C 2.173 179.534 177.584 -0.371 0.000 1.181 380 A CA 1.715 53.825 52.037 0.121 0.000 0.620 380 A CB -0.863 18.383 19.000 0.411 0.000 0.819 380 A HN 0.405 nan 8.150 nan 0.000 0.442 381 Q N -0.791 118.625 119.800 -0.640 0.000 2.061 381 Q HA -0.224 4.116 4.340 -0.001 0.000 0.204 381 Q C 2.017 177.716 176.000 -0.502 0.000 0.984 381 Q CA 1.910 57.064 55.803 -1.083 0.000 0.846 381 Q CB -0.280 28.061 28.738 -0.663 0.000 0.902 381 Q HN 0.547 nan 8.270 nan 0.000 0.421 382 L N 0.637 121.693 121.223 -0.278 0.000 1.989 382 L HA -0.214 4.125 4.340 -0.001 0.000 0.211 382 L C 2.152 178.902 176.870 -0.199 0.000 1.071 382 L CA 1.698 56.432 54.840 -0.177 0.000 0.749 382 L CB -0.637 41.367 42.059 -0.091 0.000 0.890 382 L HN 0.314 nan 8.230 nan 0.000 0.431 383 I N -0.975 119.421 120.570 -0.291 0.000 2.252 383 I HA -0.204 3.965 4.170 -0.001 0.000 0.245 383 I C 2.735 178.710 176.117 -0.236 0.000 1.102 383 I CA 1.576 62.657 61.300 -0.365 0.000 1.385 383 I CB -1.604 35.834 38.000 -0.937 0.000 1.064 383 I HN 0.385 nan 8.210 nan 0.000 0.414 384 S N 0.948 116.476 115.700 -0.286 0.000 2.370 384 S HA -0.146 4.324 4.470 -0.001 0.000 0.226 384 S C 2.168 176.748 174.600 -0.034 0.000 1.033 384 S CA 1.711 59.850 58.200 -0.101 0.000 1.011 384 S CB -0.585 62.586 63.200 -0.048 0.000 0.852 384 S HN 0.538 nan 8.310 nan 0.000 0.457 385 G N 1.300 110.034 108.800 -0.109 0.000 2.421 385 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.216 385 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.216 385 G C 1.409 176.281 174.900 -0.048 0.000 1.171 385 G CA 0.898 45.962 45.100 -0.060 0.000 0.775 385 G HN 0.560 nan 8.290 nan 0.000 0.543 386 I N -0.872 119.654 120.570 -0.074 0.000 2.194 386 I HA -0.224 3.946 4.170 -0.001 0.000 0.246 386 I C 2.159 178.170 176.117 -0.177 0.000 1.093 386 I CA 1.205 62.428 61.300 -0.128 0.000 1.355 386 I CB -0.101 37.809 38.000 -0.150 0.000 1.046 386 I HN 0.181 nan 8.210 nan 0.000 0.413 387 Y N -0.267 119.998 120.300 -0.058 0.000 2.457 387 Y HA 0.093 4.643 4.550 -0.001 0.000 0.263 387 Y C 0.970 176.869 175.900 -0.002 0.000 1.164 387 Y CA -0.139 57.950 58.100 -0.017 0.000 1.274 387 Y CB -0.087 38.367 38.460 -0.011 0.000 1.097 387 Y HN 0.190 nan 8.280 nan 0.000 0.523 388 N N 1.695 120.455 118.700 0.100 0.000 2.699 388 N HA -0.265 4.474 4.740 -0.001 0.000 0.256 388 N C -0.972 174.603 175.510 0.109 0.000 0.993 388 N CA 1.098 54.197 53.050 0.081 0.000 0.759 388 N CB -0.681 37.832 38.487 0.044 0.000 0.906 388 N HN 0.616 nan 8.380 nan 0.000 0.541 389 R N -1.710 118.868 120.500 0.130 0.000 2.774 389 R HA 0.345 4.684 4.340 -0.001 0.000 0.279 389 R C -1.107 175.273 176.300 0.134 0.000 1.022 389 R CA -0.974 55.201 56.100 0.125 0.000 0.855 389 R CB 0.003 30.378 30.300 0.125 0.000 1.279 389 R HN 0.100 nan 8.270 nan 0.000 0.485 390 N N 0.820 119.601 118.700 0.136 0.000 2.483 390 N HA 0.133 4.873 4.740 -0.001 0.000 0.264 390 N C -0.293 175.308 175.510 0.151 0.000 1.197 390 N CA -0.045 53.100 53.050 0.160 0.000 0.927 390 N CB 0.456 39.033 38.487 0.151 0.000 1.065 390 N HN 0.231 nan 8.380 nan 0.000 0.461 391 M N 1.521 121.229 119.600 0.179 0.000 2.369 391 M HA 0.497 4.977 4.480 -0.001 0.000 0.291 391 M C 0.066 176.544 176.300 0.297 0.000 1.178 391 M CA -0.875 54.527 55.300 0.169 0.000 0.996 391 M CB 0.925 33.581 32.600 0.093 0.000 1.472 391 M HN 0.511 nan 8.290 nan 0.000 0.496 392 A N 1.095 124.084 122.820 0.281 0.000 2.331 392 A HA 0.701 5.020 4.320 -0.001 0.000 0.320 392 A C -0.910 176.913 177.584 0.399 0.000 1.138 392 A CA -0.649 51.545 52.037 0.261 0.000 0.790 392 A CB 0.998 19.847 19.000 -0.251 0.000 1.206 392 A HN 0.537 nan 8.150 nan 0.000 0.470 393 V N 2.864 123.022 119.914 0.408 0.000 2.427 393 V HA 0.388 4.508 4.120 -0.001 0.000 0.286 393 V C -0.695 175.506 176.094 0.178 0.000 1.034 393 V CA -0.495 61.951 62.300 0.242 0.000 0.893 393 V CB 1.543 33.509 31.823 0.239 0.000 0.982 393 V HN 0.875 nan 8.190 nan 0.000 0.452 394 W N 7.168 128.442 121.300 -0.043 0.000 2.338 394 W HA 0.344 5.003 4.660 -0.000 0.000 0.315 394 W C -1.069 175.453 176.519 0.005 0.000 1.005 394 W CA -1.743 55.568 57.345 -0.056 0.000 1.380 394 W CB 1.220 30.618 29.460 -0.104 0.000 1.235 394 W HN 0.751 nan 8.180 nan 0.000 0.409 395 W N 8.604 129.895 121.300 -0.015 0.000 2.314 395 W HA 0.226 4.886 4.660 -0.001 0.000 0.310 395 W C -0.277 176.341 176.519 0.165 0.000 1.075 395 W CA -0.499 56.860 57.345 0.024 0.000 1.253 395 W CB 0.954 30.341 29.460 -0.123 0.000 1.238 395 W HN 0.254 nan 8.180 nan 0.000 0.440 396 N N 6.328 124.888 118.700 -0.235 0.000 3.259 396 N HA 0.005 4.745 4.740 -0.001 0.000 0.308 396 N C -1.561 173.814 175.510 -0.225 0.000 1.334 396 N CA 0.345 53.341 53.050 -0.090 0.000 1.202 396 N CB -0.243 38.268 38.487 0.040 0.000 1.485 396 N HN 0.417 nan 8.380 nan 0.000 0.549 397 Y N 0.341 120.418 120.300 -0.373 0.000 2.482 397 Y HA 0.293 4.842 4.550 -0.001 0.000 0.334 397 Y C -2.276 173.691 175.900 0.111 0.000 1.091 397 Y CA -1.561 56.471 58.100 -0.115 0.000 1.027 397 Y CB 2.467 40.839 38.460 -0.146 0.000 1.306 397 Y HN 0.035 nan 8.280 nan 0.000 0.446 398 P HA 0.015 nan 4.420 nan 0.000 0.256 398 P C 0.101 177.209 177.300 -0.321 0.000 1.384 398 P CA 0.307 63.041 63.100 -0.609 0.000 0.879 398 P CB 0.286 31.790 31.700 -0.326 0.000 1.403 399 V N 2.440 122.298 119.914 -0.093 0.000 2.726 399 V HA -0.073 4.047 4.120 -0.001 0.000 0.304 399 V C 1.269 177.308 176.094 -0.092 0.000 1.115 399 V CA 1.978 64.275 62.300 -0.006 0.000 1.264 399 V CB 0.072 32.004 31.823 0.181 0.000 0.867 399 V HN 0.401 nan 8.190 nan 0.000 0.498 400 T N 0.732 115.183 114.554 -0.170 0.000 3.145 400 T HA 0.159 4.509 4.350 -0.001 0.000 0.281 400 T C 0.925 175.436 174.700 -0.314 0.000 1.003 400 T CA 0.297 62.175 62.100 -0.368 0.000 0.901 400 T CB -0.069 68.666 68.868 -0.221 0.000 1.112 400 T HN 0.834 nan 8.240 nan 0.000 0.535 401 D N 2.176 122.545 120.400 -0.052 0.000 2.221 401 D HA -0.238 4.401 4.640 -0.001 0.000 0.204 401 D C 1.509 177.885 176.300 0.127 0.000 0.982 401 D CA 1.242 55.313 54.000 0.118 0.000 0.857 401 D CB -0.864 40.141 40.800 0.340 0.000 0.934 401 D HN 0.766 nan 8.370 nan 0.000 0.475 402 Y N -2.851 117.540 120.300 0.152 0.000 2.490 402 Y HA 0.379 4.929 4.550 -0.000 0.000 0.281 402 Y C 0.123 176.134 175.900 0.185 0.000 1.174 402 Y CA -0.940 57.241 58.100 0.135 0.000 1.295 402 Y CB -0.112 38.350 38.460 0.004 0.000 1.062 402 Y HN -0.080 nan 8.280 nan 0.000 0.522 403 F N 1.311 121.019 119.950 -0.403 0.000 2.806 403 F HA 0.359 4.886 4.527 -0.000 0.000 0.394 403 F C 0.483 176.104 175.800 -0.298 0.000 1.352 403 F CA -1.547 56.263 58.000 -0.316 0.000 1.122 403 F CB 0.185 38.969 39.000 -0.359 0.000 2.253 403 F HN -0.177 nan 8.300 nan 0.000 0.553 404 K N 0.271 120.503 120.400 -0.280 0.000 2.283 404 K HA -0.024 4.296 4.320 -0.001 0.000 0.202 404 K C 2.067 178.460 176.600 -0.344 0.000 1.048 404 K CA 1.086 57.278 56.287 -0.159 0.000 0.948 404 K CB -0.044 32.525 32.500 0.114 0.000 0.742 404 K HN 0.613 nan 8.250 nan 0.000 0.458 405 G N 1.733 109.996 108.800 -0.896 0.000 2.498 405 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.219 405 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.219 405 G C 0.478 174.987 174.900 -0.652 0.000 1.119 405 G CA 0.328 44.668 45.100 -1.267 0.000 0.766 405 G HN 0.170 nan 8.290 nan 0.000 0.552 406 K N -0.009 120.082 120.400 -0.514 0.000 2.221 406 K HA 0.572 4.892 4.320 -0.001 0.000 0.258 406 K C -0.561 175.954 176.600 -0.142 0.000 0.944 406 K CA -0.809 55.324 56.287 -0.257 0.000 0.823 406 K CB 1.120 33.550 32.500 -0.116 0.000 1.113 406 K HN -0.030 nan 8.250 nan 0.000 0.431 407 L N 2.904 124.066 121.223 -0.101 0.000 2.326 407 L HA 0.436 4.775 4.340 -0.001 0.000 0.278 407 L C -0.014 176.811 176.870 -0.076 0.000 1.092 407 L CA -0.744 54.054 54.840 -0.069 0.000 0.810 407 L CB 1.579 43.600 42.059 -0.064 0.000 1.153 407 L HN 0.719 nan 8.230 nan 0.000 0.439 408 A N 4.357 127.117 122.820 -0.100 0.000 2.341 408 A HA 0.550 4.869 4.320 -0.001 0.000 0.326 408 A C -0.036 177.520 177.584 -0.046 0.000 1.402 408 A CA -0.288 51.651 52.037 -0.164 0.000 0.957 408 A CB 0.140 18.826 19.000 -0.525 0.000 1.151 408 A HN 0.565 nan 8.150 nan 0.000 0.533 409 L N 2.713 123.991 121.223 0.091 0.000 3.066 409 L HA 0.318 4.657 4.340 -0.001 0.000 0.265 409 L C 1.091 178.214 176.870 0.422 0.000 1.232 409 L CA 0.106 55.074 54.840 0.213 0.000 1.031 409 L CB 0.094 42.230 42.059 0.129 0.000 1.379 409 L HN 0.703 nan 8.230 nan 0.000 0.563 410 G N -0.242 108.810 108.800 0.419 0.000 2.552 410 G HA2 0.658 4.618 3.960 -0.001 0.000 0.318 410 G HA3 0.658 4.618 3.960 -0.001 0.000 0.318 410 G C -2.767 172.430 174.900 0.496 0.000 1.240 410 G CA -1.072 44.209 45.100 0.302 0.000 1.002 410 G HN -0.092 nan 8.290 nan 0.000 0.493 411 P HA 0.207 nan 4.420 nan 0.000 0.278 411 P C 0.017 177.517 177.300 0.333 0.000 1.258 411 P CA -0.604 62.781 63.100 0.475 0.000 0.811 411 P CB 0.738 32.755 31.700 0.527 0.000 1.063 412 M N 1.783 121.602 119.600 0.364 0.000 2.323 412 M HA -0.069 4.410 4.480 -0.001 0.000 0.386 412 M C 0.593 176.947 176.300 0.089 0.000 1.525 412 M CA 1.487 56.861 55.300 0.122 0.000 0.914 412 M CB -1.683 30.759 32.600 -0.263 0.000 2.042 412 M HN 0.520 nan 8.290 nan 0.000 0.483 413 H N 0.875 119.841 119.070 -0.174 0.000 2.947 413 H HA 0.405 4.960 4.556 -0.001 0.000 0.354 413 H C 0.712 175.919 175.328 -0.202 0.000 1.085 413 H CA 0.875 56.757 56.048 -0.277 0.000 1.253 413 H CB 1.433 30.927 29.762 -0.447 0.000 1.757 413 H HN 0.838 nan 8.280 nan 0.000 0.523 414 G N 3.882 112.229 108.800 -0.755 0.000 2.195 414 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.246 414 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.246 414 G C -0.083 174.613 174.900 -0.340 0.000 0.984 414 G CA 0.210 45.046 45.100 -0.440 0.000 0.633 414 G HN 0.506 nan 8.290 nan 0.000 0.525 415 L N 1.928 122.861 121.223 -0.484 0.000 2.281 415 L HA 0.382 4.721 4.340 -0.001 0.000 0.285 415 L C 0.587 177.340 176.870 -0.196 0.000 1.074 415 L CA -0.798 53.738 54.840 -0.506 0.000 0.817 415 L CB 1.007 42.480 42.059 -0.977 0.000 1.168 415 L HN 0.153 nan 8.230 nan 0.000 0.434 416 D N 3.267 123.638 120.400 -0.047 0.000 2.443 416 D HA -0.050 4.589 4.640 -0.001 0.000 0.239 416 D C 0.615 177.002 176.300 0.146 0.000 1.136 416 D CA 0.139 54.172 54.000 0.055 0.000 0.879 416 D CB 1.104 41.952 40.800 0.079 0.000 1.195 416 D HN 0.508 nan 8.370 nan 0.000 0.443 417 K N 1.969 122.453 120.400 0.140 0.000 2.486 417 K HA 0.015 4.335 4.320 -0.001 0.000 0.194 417 K C 1.390 178.014 176.600 0.039 0.000 1.033 417 K CA 0.294 56.661 56.287 0.134 0.000 1.004 417 K CB 0.394 32.977 32.500 0.139 0.000 0.798 417 K HN 0.428 nan 8.250 nan 0.000 0.495 418 G N 0.594 109.425 108.800 0.052 0.000 3.233 418 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.234 418 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.234 418 G C 1.093 176.013 174.900 0.033 0.000 1.137 418 G CA -0.261 44.853 45.100 0.023 0.000 0.763 418 G HN 0.050 nan 8.290 nan 0.000 0.549 419 L N 2.185 123.448 121.223 0.067 0.000 2.127 419 L HA -0.128 4.211 4.340 -0.001 0.000 0.211 419 L C 2.661 179.587 176.870 0.093 0.000 1.089 419 L CA 1.650 56.572 54.840 0.136 0.000 0.757 419 L CB -0.288 41.868 42.059 0.162 0.000 0.899 419 L HN 0.452 nan 8.230 nan 0.000 0.434 420 N N -0.658 118.028 118.700 -0.022 0.000 2.513 420 N HA -0.288 4.452 4.740 -0.001 0.000 0.187 420 N C 1.654 177.125 175.510 -0.065 0.000 1.056 420 N CA 1.221 54.244 53.050 -0.045 0.000 0.907 420 N CB -0.529 37.892 38.487 -0.110 0.000 0.954 420 N HN 0.626 nan 8.380 nan 0.000 0.445 421 Q N -0.699 119.016 119.800 -0.142 0.000 2.224 421 Q HA -0.102 4.238 4.340 -0.001 0.000 0.203 421 Q C 0.304 176.005 176.000 -0.497 0.000 0.970 421 Q CA 1.092 56.670 55.803 -0.374 0.000 0.865 421 Q CB 0.065 28.469 28.738 -0.556 0.000 0.922 421 Q HN 0.530 nan 8.270 nan 0.000 0.445 422 Y N -1.980 118.369 120.300 0.081 0.000 2.563 422 Y HA 0.330 4.880 4.550 -0.001 0.000 0.250 422 Y C -0.480 175.502 175.900 0.136 0.000 1.126 422 Y CA -0.381 57.774 58.100 0.092 0.000 1.231 422 Y CB 1.505 40.018 38.460 0.089 0.000 1.288 422 Y HN -0.236 nan 8.280 nan 0.000 0.537 423 V N 0.336 120.409 119.914 0.265 0.000 2.686 423 V HA 0.297 4.417 4.120 -0.001 0.000 0.306 423 V C -0.935 175.292 176.094 0.222 0.000 1.065 423 V CA -0.660 61.821 62.300 0.302 0.000 0.894 423 V CB 2.278 34.335 31.823 0.389 0.000 1.004 423 V HN -0.023 nan 8.190 nan 0.000 0.424 424 D N 2.900 123.452 120.400 0.255 0.000 2.673 424 D HA 0.310 4.949 4.640 -0.001 0.000 0.278 424 D C -0.911 175.577 176.300 0.313 0.000 1.393 424 D CA 0.155 54.281 54.000 0.211 0.000 0.805 424 D CB 0.322 41.215 40.800 0.154 0.000 1.110 424 D HN 0.359 nan 8.370 nan 0.000 0.476 425 F N 1.132 121.201 119.950 0.197 0.000 2.839 425 F HA 0.354 4.881 4.527 -0.001 0.000 0.344 425 F C -2.222 173.744 175.800 0.277 0.000 1.242 425 F CA -1.099 57.022 58.000 0.203 0.000 1.091 425 F CB 0.868 39.971 39.000 0.171 0.000 1.374 425 F HN -0.211 nan 8.300 nan 0.000 0.553 426 F N 6.168 126.235 119.950 0.196 0.000 2.496 426 F HA 0.606 5.132 4.527 -0.001 0.000 0.341 426 F C -0.696 175.190 175.800 0.143 0.000 1.134 426 F CA -0.257 57.870 58.000 0.211 0.000 0.968 426 F CB 1.422 40.505 39.000 0.139 0.000 1.205 426 F HN 0.446 nan 8.300 nan 0.000 0.436 427 T N 3.505 117.825 114.554 -0.390 0.000 2.887 427 T HA 0.748 5.098 4.350 -0.001 0.000 0.288 427 T C -0.740 173.642 174.700 -0.530 0.000 1.021 427 T CA -0.721 61.163 62.100 -0.360 0.000 1.000 427 T CB 1.470 70.262 68.868 -0.127 0.000 1.034 427 T HN 0.742 nan 8.240 nan 0.000 0.467 428 V N 0.376 120.125 119.914 -0.276 0.000 2.581 428 V HA 0.694 4.813 4.120 -0.001 0.000 0.303 428 V C -0.312 175.709 176.094 -0.122 0.000 1.041 428 V CA -1.061 61.188 62.300 -0.085 0.000 0.907 428 V CB 1.412 33.340 31.823 0.174 0.000 0.994 428 V HN 0.932 nan 8.190 nan 0.000 0.442 429 N N 6.031 124.663 118.700 -0.113 0.000 2.408 429 N HA 0.571 5.311 4.740 -0.001 0.000 0.257 429 N C -2.401 173.157 175.510 0.080 0.000 1.064 429 N CA -1.779 51.230 53.050 -0.068 0.000 0.952 429 N CB 1.408 39.901 38.487 0.010 0.000 1.093 429 N HN 0.651 nan 8.380 nan 0.000 0.490 430 P HA 0.326 nan 4.420 nan 0.000 0.314 430 P C -0.253 176.985 177.300 -0.103 0.000 1.306 430 P CA -0.539 62.624 63.100 0.105 0.000 0.782 430 P CB 1.161 33.043 31.700 0.304 0.000 1.337 431 M N -0.054 119.459 119.600 -0.145 0.000 2.227 431 M HA 0.143 4.623 4.480 -0.001 0.000 0.316 431 M C 1.810 177.635 176.300 -0.790 0.000 1.144 431 M CA -0.050 55.050 55.300 -0.333 0.000 1.121 431 M CB 0.280 32.831 32.600 -0.081 0.000 1.440 431 M HN 0.453 nan 8.290 nan 0.000 0.473 432 E N -0.019 119.619 120.200 -0.937 0.000 2.333 432 E HA -0.153 4.197 4.350 -0.001 0.000 0.198 432 E C -0.135 176.321 176.600 -0.239 0.000 1.007 432 E CA 1.067 56.994 56.400 -0.787 0.000 0.845 432 E CB -0.220 29.227 29.700 -0.421 0.000 0.766 432 E HN 0.507 nan 8.360 nan 0.000 0.507 433 H N 0.771 119.842 119.070 0.000 0.000 3.109 433 H HA 0.300 4.855 4.556 -0.001 0.000 0.266 433 H C 0.865 176.205 175.328 0.020 0.000 1.334 433 H CA 0.316 56.382 56.048 0.031 0.000 1.456 433 H CB 0.922 30.689 29.762 0.009 0.000 1.587 433 H HN 0.278 nan 8.280 nan 0.000 0.500 434 A N 3.088 125.898 122.820 -0.017 0.000 1.908 434 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 434 A C 2.360 179.773 177.584 -0.285 0.000 1.181 434 A CA 1.746 53.535 52.037 -0.413 0.000 0.627 434 A CB -0.058 18.279 19.000 -1.106 0.000 0.818 434 A HN 0.549 nan 8.150 nan 0.000 0.445 435 E N 0.073 120.160 120.200 -0.188 0.000 2.047 435 E HA -0.086 4.264 4.350 -0.001 0.000 0.191 435 E C 1.791 178.338 176.600 -0.088 0.000 0.987 435 E CA 1.250 57.546 56.400 -0.173 0.000 0.799 435 E CB -0.327 29.304 29.700 -0.114 0.000 0.752 435 E HN 0.573 nan 8.360 nan 0.000 0.449 436 L N 0.002 121.236 121.223 0.018 0.000 2.395 436 L HA 0.005 4.345 4.340 -0.001 0.000 0.218 436 L C 2.192 179.115 176.870 0.088 0.000 1.130 436 L CA 0.526 55.418 54.840 0.086 0.000 0.826 436 L CB -0.116 42.000 42.059 0.095 0.000 0.941 436 L HN 0.074 nan 8.230 nan 0.000 0.451 437 S N 0.062 115.803 115.700 0.069 0.000 2.440 437 S HA -0.174 4.296 4.470 -0.001 0.000 0.238 437 S C 1.852 176.527 174.600 0.125 0.000 1.010 437 S CA 1.153 59.419 58.200 0.111 0.000 0.972 437 S CB -0.104 63.193 63.200 0.161 0.000 0.774 437 S HN 0.392 nan 8.310 nan 0.000 0.501 438 K N 0.676 121.064 120.400 -0.020 0.000 2.280 438 K HA 0.011 4.331 4.320 -0.001 0.000 0.202 438 K C 1.722 178.451 176.600 0.215 0.000 1.047 438 K CA 0.876 57.098 56.287 -0.109 0.000 0.942 438 K CB -0.251 31.851 32.500 -0.665 0.000 0.739 438 K HN 0.382 nan 8.250 nan 0.000 0.457 439 I N 0.012 120.711 120.570 0.214 0.000 2.163 439 I HA -0.281 3.889 4.170 -0.001 0.000 0.240 439 I C 2.551 178.898 176.117 0.383 0.000 1.081 439 I CA 1.041 62.502 61.300 0.269 0.000 1.353 439 I CB -0.298 37.833 38.000 0.219 0.000 1.054 439 I HN 0.082 nan 8.210 nan 0.000 0.407 440 S N 0.783 116.714 115.700 0.386 0.000 2.356 440 S HA -0.118 4.352 4.470 -0.001 0.000 0.223 440 S C 2.082 176.959 174.600 0.462 0.000 1.032 440 S CA 1.212 59.689 58.200 0.461 0.000 1.005 440 S CB -0.326 63.148 63.200 0.456 0.000 0.867 440 S HN 0.266 nan 8.310 nan 0.000 0.449 441 I N 1.278 122.111 120.570 0.438 0.000 2.151 441 I HA -0.271 3.899 4.170 -0.001 0.000 0.243 441 I C 2.539 178.934 176.117 0.463 0.000 1.080 441 I CA 1.865 63.439 61.300 0.457 0.000 1.339 441 I CB -0.704 37.628 38.000 0.554 0.000 1.039 441 I HN 0.483 nan 8.210 nan 0.000 0.409 442 H N 1.294 120.639 119.070 0.458 0.000 2.321 442 H HA -0.239 4.317 4.556 -0.001 0.000 0.295 442 H C 2.385 177.883 175.328 0.282 0.000 1.102 442 H CA 2.622 58.883 56.048 0.354 0.000 1.266 442 H CB -0.125 29.853 29.762 0.360 0.000 1.363 442 H HN 0.476 nan 8.280 nan 0.000 0.492 443 T N -1.885 112.973 114.554 0.506 0.000 2.951 443 T HA 0.099 4.449 4.350 -0.001 0.000 0.268 443 T C 2.195 177.094 174.700 0.332 0.000 1.073 443 T CA 1.052 63.452 62.100 0.500 0.000 1.134 443 T CB -0.452 68.779 68.868 0.605 0.000 0.884 443 T HN 0.388 nan 8.240 nan 0.000 0.479 444 A N 1.593 124.596 122.820 0.305 0.000 1.929 444 A HA 0.475 4.795 4.320 -0.001 0.000 0.216 444 A C 2.815 180.517 177.584 0.196 0.000 1.176 444 A CA 1.454 53.660 52.037 0.281 0.000 0.628 444 A CB -1.320 17.934 19.000 0.423 0.000 0.816 444 A HN 0.719 nan 8.150 nan 0.000 0.444 445 A N 0.295 123.191 122.820 0.127 0.000 1.865 445 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 445 A C 1.862 179.459 177.584 0.023 0.000 1.191 445 A CA 2.319 54.365 52.037 0.014 0.000 0.623 445 A CB -0.832 18.077 19.000 -0.152 0.000 0.826 445 A HN 0.540 nan 8.150 nan 0.000 0.444 446 D N -2.303 118.126 120.400 0.049 0.000 2.117 446 D HA -0.197 4.442 4.640 -0.001 0.000 0.197 446 D C 1.771 178.140 176.300 0.115 0.000 0.987 446 D CA 1.562 55.638 54.000 0.128 0.000 0.829 446 D CB -0.263 40.695 40.800 0.264 0.000 0.961 446 D HN 0.518 nan 8.370 nan 0.000 0.460 447 Y N 0.925 121.088 120.300 -0.229 0.000 2.145 447 Y HA -0.209 4.341 4.550 -0.001 0.000 0.286 447 Y C 2.429 178.112 175.900 -0.361 0.000 1.145 447 Y CA 2.387 60.123 58.100 -0.606 0.000 1.148 447 Y CB -0.652 37.144 38.460 -1.106 0.000 0.981 447 Y HN 0.095 nan 8.280 nan 0.000 0.507 448 S N -0.566 114.899 115.700 -0.391 0.000 2.436 448 S HA -0.158 4.312 4.470 -0.001 0.000 0.228 448 S C 1.936 176.419 174.600 -0.194 0.000 1.014 448 S CA 0.622 58.574 58.200 -0.413 0.000 0.950 448 S CB -1.068 62.056 63.200 -0.126 0.000 0.784 448 S HN 0.754 nan 8.310 nan 0.000 0.504 449 W N 2.651 123.811 121.300 -0.234 0.000 2.481 449 W HA 0.316 4.976 4.660 -0.001 0.000 0.293 449 W C -0.004 176.400 176.519 -0.192 0.000 1.201 449 W CA 0.538 57.772 57.345 -0.185 0.000 1.328 449 W CB -0.185 29.173 29.460 -0.169 0.000 1.112 449 W HN 0.301 nan 8.180 nan 0.000 0.546 450 N N 1.341 120.097 118.700 0.094 0.000 2.762 450 N HA 0.089 4.829 4.740 -0.001 0.000 0.252 450 N C 0.554 176.037 175.510 -0.045 0.000 1.269 450 N CA -0.060 53.000 53.050 0.016 0.000 0.799 450 N CB 0.124 38.703 38.487 0.153 0.000 1.173 450 N HN 0.054 nan 8.380 nan 0.000 0.516 451 M N 0.734 120.221 119.600 -0.189 0.000 2.287 451 M HA -0.046 4.434 4.480 -0.001 0.000 0.266 451 M C 0.982 177.243 176.300 -0.064 0.000 1.079 451 M CA 1.368 56.500 55.300 -0.279 0.000 1.146 451 M CB 0.161 32.461 32.600 -0.501 0.000 1.374 451 M HN 0.263 nan 8.290 nan 0.000 0.435 452 D N 0.615 120.983 120.400 -0.053 0.000 2.178 452 D HA -0.143 4.497 4.640 -0.001 0.000 0.201 452 D C 1.120 177.443 176.300 0.039 0.000 0.980 452 D CA 1.173 55.169 54.000 -0.007 0.000 0.842 452 D CB 0.020 40.806 40.800 -0.023 0.000 0.948 452 D HN 0.383 nan 8.370 nan 0.000 0.472 453 N N -0.856 117.876 118.700 0.053 0.000 2.236 453 N HA -0.067 4.672 4.740 -0.001 0.000 0.196 453 N C -0.423 175.154 175.510 0.112 0.000 1.114 453 N CA -0.223 52.864 53.050 0.061 0.000 0.859 453 N CB 0.271 38.779 38.487 0.035 0.000 0.982 453 N HN 0.236 nan 8.380 nan 0.000 0.493 454 Y N 2.731 123.060 120.300 0.049 0.000 2.729 454 Y HA -0.037 4.512 4.550 -0.001 0.000 0.331 454 Y C 0.016 175.977 175.900 0.102 0.000 1.208 454 Y CA 0.126 58.293 58.100 0.111 0.000 1.521 454 Y CB 0.253 38.842 38.460 0.215 0.000 1.233 454 Y HN -0.084 nan 8.280 nan 0.000 0.539 455 D N 6.174 126.257 120.400 -0.529 0.000 2.440 455 D HA 0.006 4.646 4.640 -0.001 0.000 0.252 455 D C 0.396 176.273 176.300 -0.706 0.000 1.180 455 D CA -0.534 53.172 54.000 -0.490 0.000 0.894 455 D CB 0.191 40.834 40.800 -0.262 0.000 1.111 455 D HN 0.655 nan 8.370 nan 0.000 0.544 456 Y N 2.522 122.423 120.300 -0.664 0.000 2.207 456 Y HA -0.156 4.394 4.550 -0.001 0.000 0.287 456 Y C 1.560 177.420 175.900 -0.067 0.000 1.156 456 Y CA 1.740 59.594 58.100 -0.409 0.000 1.182 456 Y CB -0.547 37.901 38.460 -0.020 0.000 0.979 456 Y HN 0.302 nan 8.280 nan 0.000 0.521 457 D N 0.631 120.753 120.400 -0.462 0.000 2.123 457 D HA -0.181 4.459 4.640 -0.001 0.000 0.200 457 D C 2.150 178.486 176.300 0.059 0.000 0.976 457 D CA 1.995 55.921 54.000 -0.123 0.000 0.831 457 D CB -0.179 40.448 40.800 -0.287 0.000 0.974 457 D HN 0.567 nan 8.370 nan 0.000 0.469 458 K N 0.269 120.631 120.400 -0.062 0.000 2.057 458 K HA 0.003 4.322 4.320 -0.001 0.000 0.206 458 K C 2.142 178.784 176.600 0.071 0.000 1.050 458 K CA 1.382 57.671 56.287 0.003 0.000 0.935 458 K CB -0.403 32.072 32.500 -0.042 0.000 0.715 458 K HN 0.056 nan 8.250 nan 0.000 0.439 459 A N 0.898 123.756 122.820 0.065 0.000 1.940 459 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 459 A C 2.016 179.788 177.584 0.313 0.000 1.176 459 A CA 1.506 53.671 52.037 0.215 0.000 0.631 459 A CB -1.138 18.034 19.000 0.286 0.000 0.814 459 A HN 0.765 nan 8.150 nan 0.000 0.446 460 W N 1.086 122.469 121.300 0.139 0.000 2.407 460 W HA -0.102 4.557 4.660 -0.000 0.000 0.305 460 W C 2.025 178.593 176.519 0.083 0.000 1.196 460 W CA 1.570 59.006 57.345 0.151 0.000 1.311 460 W CB -0.258 29.299 29.460 0.162 0.000 1.135 460 W HN 0.339 nan 8.180 nan 0.000 0.514 461 N N 0.477 119.215 118.700 0.063 0.000 2.104 461 N HA -0.234 4.506 4.740 -0.001 0.000 0.190 461 N C 1.899 177.303 175.510 -0.176 0.000 1.024 461 N CA 1.910 54.863 53.050 -0.162 0.000 0.853 461 N CB -0.550 37.945 38.487 0.013 0.000 1.008 461 N HN 0.269 nan 8.380 nan 0.000 0.424 462 R N 1.017 121.482 120.500 -0.058 0.000 2.092 462 R HA -0.011 4.328 4.340 -0.001 0.000 0.231 462 R C 2.189 178.380 176.300 -0.182 0.000 1.119 462 R CA 1.216 57.288 56.100 -0.046 0.000 0.970 462 R CB -0.164 30.174 30.300 0.062 0.000 0.864 462 R HN 0.121 nan 8.270 nan 0.000 0.440 463 A N 1.249 123.911 122.820 -0.263 0.000 1.873 463 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 463 A C 2.144 179.502 177.584 -0.377 0.000 1.193 463 A CA 1.781 53.438 52.037 -0.634 0.000 0.629 463 A CB -0.593 18.280 19.000 -0.212 0.000 0.826 463 A HN 0.386 nan 8.150 nan 0.000 0.447 464 I N -0.521 119.856 120.570 -0.322 0.000 2.233 464 I HA -0.197 3.972 4.170 -0.001 0.000 0.243 464 I C 1.967 178.042 176.117 -0.070 0.000 1.093 464 I CA 1.298 62.485 61.300 -0.189 0.000 1.380 464 I CB -0.563 37.160 38.000 -0.460 0.000 1.067 464 I HN 0.241 nan 8.210 nan 0.000 0.413 465 D N 0.881 121.200 120.400 -0.136 0.000 2.133 465 D HA -0.229 4.411 4.640 -0.001 0.000 0.192 465 D C 2.276 178.544 176.300 -0.053 0.000 1.001 465 D CA 1.696 55.651 54.000 -0.076 0.000 0.844 465 D CB -0.205 40.550 40.800 -0.075 0.000 0.944 465 D HN 0.331 nan 8.370 nan 0.000 0.447 466 M N -0.348 119.197 119.600 -0.092 0.000 2.200 466 M HA -0.062 4.418 4.480 -0.001 0.000 0.265 466 M C 2.207 178.469 176.300 -0.063 0.000 1.066 466 M CA 0.898 56.160 55.300 -0.064 0.000 1.127 466 M CB -0.015 32.559 32.600 -0.044 0.000 1.379 466 M HN -0.025 nan 8.290 nan 0.000 0.420 467 L N -2.195 118.974 121.223 -0.090 0.000 2.341 467 L HA -0.087 4.252 4.340 -0.001 0.000 0.214 467 L C 1.217 177.830 176.870 -0.427 0.000 1.115 467 L CA 0.818 55.528 54.840 -0.217 0.000 0.820 467 L CB -0.100 41.821 42.059 -0.230 0.000 0.944 467 L HN 0.256 nan 8.230 nan 0.000 0.452 468 Y N -0.935 119.318 120.300 -0.079 0.000 2.500 468 Y HA 0.342 4.892 4.550 -0.001 0.000 0.246 468 Y C 1.679 177.545 175.900 -0.058 0.000 1.146 468 Y CA 0.202 58.261 58.100 -0.069 0.000 1.230 468 Y CB 0.580 38.993 38.460 -0.077 0.000 1.214 468 Y HN 0.145 nan 8.280 nan 0.000 0.526 469 G N 0.926 109.746 108.800 0.033 0.000 2.591 469 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.298 469 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.298 469 G C 0.753 175.664 174.900 0.019 0.000 1.195 469 G CA 0.670 45.774 45.100 0.006 0.000 0.989 469 G HN 0.296 nan 8.290 nan 0.000 0.551 470 D N 0.801 121.208 120.400 0.011 0.000 2.371 470 D HA 0.069 4.709 4.640 -0.001 0.000 0.221 470 D C 2.406 178.716 176.300 0.016 0.000 0.986 470 D CA 0.587 54.591 54.000 0.007 0.000 0.899 470 D CB 0.105 40.904 40.800 -0.002 0.000 0.902 470 D HN 0.332 nan 8.370 nan 0.000 0.530 471 L N 0.306 121.555 121.223 0.045 0.000 2.592 471 L HA 0.135 4.475 4.340 -0.001 0.000 0.227 471 L C 2.370 179.254 176.870 0.024 0.000 1.127 471 L CA -0.152 54.715 54.840 0.045 0.000 0.884 471 L CB -0.009 42.104 42.059 0.090 0.000 1.065 471 L HN -0.092 nan 8.230 nan 0.000 0.457 472 A N 0.527 123.369 122.820 0.036 0.000 1.873 472 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 472 A C 2.205 179.747 177.584 -0.070 0.000 1.193 472 A CA 1.646 53.675 52.037 -0.014 0.000 0.629 472 A CB -0.252 18.739 19.000 -0.015 0.000 0.826 472 A HN 0.329 nan 8.150 nan 0.000 0.447 473 E N 0.213 120.390 120.200 -0.039 0.000 2.077 473 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 473 E C 1.620 178.211 176.600 -0.014 0.000 0.989 473 E CA 1.397 57.780 56.400 -0.029 0.000 0.800 473 E CB -0.494 29.198 29.700 -0.013 0.000 0.746 473 E HN 0.593 nan 8.360 nan 0.000 0.452 474 D N 0.313 120.703 120.400 -0.016 0.000 2.117 474 D HA -0.129 4.511 4.640 -0.001 0.000 0.198 474 D C 1.936 178.235 176.300 -0.002 0.000 0.982 474 D CA 0.800 54.798 54.000 -0.004 0.000 0.828 474 D CB -0.255 40.533 40.800 -0.021 0.000 0.967 474 D HN 0.067 nan 8.370 nan 0.000 0.464 475 M N 0.836 120.388 119.600 -0.079 0.000 2.149 475 M HA -0.147 4.332 4.480 -0.001 0.000 0.261 475 M C 1.655 177.925 176.300 -0.050 0.000 1.064 475 M CA 1.550 56.766 55.300 -0.140 0.000 1.102 475 M CB 0.029 32.323 32.600 -0.509 0.000 1.369 475 M HN -0.176 nan 8.290 nan 0.000 0.408 476 K N -1.178 119.171 120.400 -0.086 0.000 2.026 476 K HA -0.102 4.218 4.320 -0.001 0.000 0.208 476 K C 1.784 178.510 176.600 0.210 0.000 1.048 476 K CA 1.621 57.892 56.287 -0.027 0.000 0.929 476 K CB -0.488 31.957 32.500 -0.092 0.000 0.713 476 K HN 0.209 nan 8.250 nan 0.000 0.439 477 V N 1.266 121.282 119.914 0.170 0.000 2.282 477 V HA -0.284 3.836 4.120 -0.001 0.000 0.249 477 V C 2.011 178.307 176.094 0.337 0.000 1.057 477 V CA 2.011 64.448 62.300 0.228 0.000 1.032 477 V CB -0.519 31.404 31.823 0.165 0.000 0.645 477 V HN 0.260 nan 8.190 nan 0.000 0.447 478 F N 1.412 121.433 119.950 0.118 0.000 2.098 478 F HA 0.009 4.535 4.527 -0.000 0.000 0.294 478 F C 2.288 178.191 175.800 0.172 0.000 1.107 478 F CA 1.413 59.476 58.000 0.106 0.000 1.234 478 F CB -0.725 38.277 39.000 0.004 0.000 1.002 478 F HN 0.043 nan 8.300 nan 0.000 0.472 479 A N 0.347 123.156 122.820 -0.018 0.000 1.972 479 A HA -0.241 4.078 4.320 -0.001 0.000 0.219 479 A C 1.994 179.675 177.584 0.163 0.000 1.169 479 A CA 1.768 53.784 52.037 -0.035 0.000 0.635 479 A CB -1.292 17.844 19.000 0.228 0.000 0.810 479 A HN 0.567 nan 8.150 nan 0.000 0.446 480 N N -0.206 118.682 118.700 0.314 0.000 2.192 480 N HA -0.196 4.544 4.740 -0.001 0.000 0.188 480 N C 1.327 176.733 175.510 -0.173 0.000 1.013 480 N CA 1.597 54.670 53.050 0.039 0.000 0.863 480 N CB -0.464 38.089 38.487 0.109 0.000 0.990 480 N HN 0.665 nan 8.380 nan 0.000 0.430 481 H N -1.966 117.047 119.070 -0.095 0.000 2.526 481 H HA 0.213 4.769 4.556 -0.001 0.000 0.274 481 H C 0.175 175.409 175.328 -0.156 0.000 0.999 481 H CA 0.289 56.271 56.048 -0.110 0.000 1.157 481 H CB 0.355 30.073 29.762 -0.074 0.000 1.407 481 H HN 0.065 nan 8.280 nan 0.000 0.568 482 S N 0.302 115.939 115.700 -0.105 0.000 2.569 482 S HA 0.074 4.544 4.470 -0.001 0.000 0.215 482 S C 1.135 175.697 174.600 -0.063 0.000 1.096 482 S CA -0.227 57.895 58.200 -0.130 0.000 1.183 482 S CB -0.105 62.908 63.200 -0.312 0.000 1.324 482 S HN 0.512 nan 8.310 nan 0.000 0.421 483 T N -1.381 113.138 114.554 -0.058 0.000 2.978 483 T HA 0.338 4.688 4.350 -0.001 0.000 0.248 483 T C 0.690 175.432 174.700 0.070 0.000 1.018 483 T CA -0.164 61.937 62.100 0.002 0.000 1.026 483 T CB 0.043 68.805 68.868 -0.176 0.000 1.032 483 T HN 0.244 nan 8.240 nan 0.000 0.485 484 R N 1.713 122.210 120.500 -0.004 0.000 2.265 484 R HA 0.502 4.842 4.340 -0.001 0.000 0.314 484 R C -0.695 175.641 176.300 0.060 0.000 1.053 484 R CA -0.484 55.617 56.100 0.000 0.000 0.931 484 R CB 0.154 30.418 30.300 -0.059 0.000 1.024 484 R HN 0.155 nan 8.270 nan 0.000 0.457 485 M N 3.042 122.705 119.600 0.106 0.000 2.294 485 M HA 0.321 4.800 4.480 -0.001 0.000 0.335 485 M C -1.175 175.107 176.300 -0.030 0.000 1.079 485 M CA -0.643 54.718 55.300 0.101 0.000 0.982 485 M CB 1.598 34.343 32.600 0.241 0.000 1.651 485 M HN 0.593 nan 8.290 nan 0.000 0.437 486 D N 2.307 122.564 120.400 -0.238 0.000 2.484 486 D HA 0.109 4.748 4.640 -0.001 0.000 0.206 486 D C -0.149 175.657 176.300 -0.825 0.000 1.322 486 D CA -0.206 53.562 54.000 -0.388 0.000 0.913 486 D CB 0.884 41.518 40.800 -0.276 0.000 1.559 486 D HN 0.603 nan 8.370 nan 0.000 0.565 487 N N 3.048 121.337 118.700 -0.685 0.000 2.383 487 N HA -0.035 4.705 4.740 -0.001 0.000 0.192 487 N C 0.320 175.583 175.510 -0.413 0.000 1.141 487 N CA 0.005 52.623 53.050 -0.721 0.000 0.851 487 N CB 0.100 38.383 38.487 -0.339 0.000 0.976 487 N HN 0.399 nan 8.380 nan 0.000 0.465 488 K N -1.636 118.552 120.400 -0.353 0.000 3.547 488 K HA -0.178 4.141 4.320 -0.001 0.000 0.309 488 K C 0.689 177.215 176.600 -0.124 0.000 1.324 488 K CA 1.664 57.836 56.287 -0.192 0.000 0.988 488 K CB -2.334 30.090 32.500 -0.126 0.000 1.261 488 K HN 0.704 nan 8.250 nan 0.000 0.444 489 T N -3.488 110.974 114.554 -0.153 0.000 2.964 489 T HA 0.212 4.561 4.350 -0.001 0.000 0.161 489 T C 1.436 176.110 174.700 -0.044 0.000 0.859 489 T CA 0.128 62.205 62.100 -0.039 0.000 1.015 489 T CB -0.252 68.670 68.868 0.090 0.000 2.138 489 T HN 0.280 nan 8.240 nan 0.000 0.367 490 W N 2.577 123.818 121.300 -0.098 0.000 3.077 490 W HA 0.712 5.371 4.660 -0.001 0.000 0.266 490 W C 0.027 176.439 176.519 -0.179 0.000 1.300 490 W CA -0.118 57.155 57.345 -0.120 0.000 1.586 490 W CB -0.210 29.183 29.460 -0.111 0.000 1.103 490 W HN 0.559 nan 8.180 nan 0.000 0.652 491 A N 2.872 125.162 122.820 -0.882 0.000 2.319 491 A HA 0.652 4.971 4.320 -0.001 0.000 0.310 491 A C -0.463 176.750 177.584 -0.618 0.000 1.152 491 A CA -0.686 50.708 52.037 -1.073 0.000 0.783 491 A CB 0.916 18.573 19.000 -2.239 0.000 1.184 491 A HN 0.239 nan 8.150 nan 0.000 0.474 492 K N 0.382 120.555 120.400 -0.380 0.000 2.557 492 K HA 0.799 5.119 4.320 -0.001 0.000 0.261 492 K C -1.210 175.323 176.600 -0.111 0.000 0.932 492 K CA -0.487 55.679 56.287 -0.200 0.000 0.829 492 K CB 1.808 34.211 32.500 -0.162 0.000 1.358 492 K HN 0.687 nan 8.250 nan 0.000 0.430 493 S N 0.156 115.846 115.700 -0.018 0.000 2.611 493 S HA 0.768 5.238 4.470 -0.001 0.000 0.270 493 S C -1.408 173.207 174.600 0.025 0.000 1.131 493 S CA 0.407 58.614 58.200 0.011 0.000 0.826 493 S CB 1.377 64.558 63.200 -0.031 0.000 1.095 493 S HN 1.675 nan 8.310 nan 0.000 0.461 494 G N 2.134 110.860 108.800 -0.124 0.000 2.587 494 G HA2 0.052 4.011 3.960 -0.001 0.000 0.686 494 G HA3 0.052 4.011 3.960 -0.001 0.000 0.686 494 G C -0.889 173.760 174.900 -0.419 0.000 1.236 494 G CA -0.566 44.334 45.100 -0.333 0.000 0.820 494 G HN 0.775 nan 8.290 nan 0.000 0.645 495 R N 0.554 120.598 120.500 -0.759 0.000 2.638 495 R HA 0.115 4.455 4.340 -0.001 0.000 0.268 495 R C 0.549 176.554 176.300 -0.492 0.000 1.006 495 R CA -0.125 55.361 56.100 -1.023 0.000 1.088 495 R CB 0.235 30.020 30.300 -0.859 0.000 0.950 495 R HN 0.547 nan 8.270 nan 0.000 0.419 496 E N 2.351 122.314 120.200 -0.395 0.000 2.467 496 E HA -0.078 4.272 4.350 -0.001 0.000 0.264 496 E C -0.465 175.998 176.600 -0.228 0.000 1.020 496 E CA 0.445 56.709 56.400 -0.227 0.000 0.945 496 E CB 0.316 29.921 29.700 -0.159 0.000 0.942 496 E HN 0.438 nan 8.360 nan 0.000 0.449 497 D N 0.610 120.909 120.400 -0.168 0.000 2.414 497 D HA 0.137 4.777 4.640 -0.001 0.000 0.242 497 D C 0.217 176.380 176.300 -0.228 0.000 1.129 497 D CA 0.318 54.206 54.000 -0.186 0.000 0.885 497 D CB 0.501 41.237 40.800 -0.106 0.000 1.198 497 D HN 0.486 nan 8.370 nan 0.000 0.437 498 A N 3.507 126.129 122.820 -0.330 0.000 2.151 498 A HA -0.165 4.155 4.320 -0.001 0.000 0.271 498 A C -1.340 176.116 177.584 -0.215 0.000 1.348 498 A CA -0.124 51.698 52.037 -0.358 0.000 0.763 498 A CB -1.065 17.545 19.000 -0.650 0.000 1.117 498 A HN 0.425 nan 8.150 nan 0.000 0.342 499 P HA -0.115 nan 4.420 nan 0.000 0.216 499 P C 1.203 178.451 177.300 -0.088 0.000 1.150 499 P CA 1.649 64.682 63.100 -0.111 0.000 0.837 499 P CB 0.145 31.790 31.700 -0.092 0.000 0.786 500 E N -0.740 119.403 120.200 -0.095 0.000 2.072 500 E HA -0.129 4.221 4.350 -0.001 0.000 0.191 500 E C 1.862 178.405 176.600 -0.096 0.000 0.985 500 E CA 0.658 57.010 56.400 -0.081 0.000 0.801 500 E CB -1.246 28.410 29.700 -0.072 0.000 0.750 500 E HN 0.108 nan 8.360 nan 0.000 0.452 501 L N 0.886 122.039 121.223 -0.115 0.000 2.017 501 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 501 L C 2.191 179.000 176.870 -0.102 0.000 1.073 501 L CA 1.673 56.441 54.840 -0.121 0.000 0.745 501 L CB -0.374 41.623 42.059 -0.103 0.000 0.894 501 L HN -0.053 nan 8.230 nan 0.000 0.432 502 R N 0.523 120.979 120.500 -0.073 0.000 2.105 502 R HA -0.072 4.267 4.340 -0.001 0.000 0.239 502 R C 2.024 178.313 176.300 -0.019 0.000 1.135 502 R CA 1.779 57.864 56.100 -0.025 0.000 0.967 502 R CB -1.171 29.120 30.300 -0.015 0.000 0.861 502 R HN 0.518 nan 8.270 nan 0.000 0.442 503 A N 0.645 123.440 122.820 -0.041 0.000 1.897 503 A HA -0.076 4.244 4.320 -0.001 0.000 0.215 503 A C 2.109 179.658 177.584 -0.058 0.000 1.181 503 A CA 1.377 53.394 52.037 -0.033 0.000 0.620 503 A CB -0.370 18.609 19.000 -0.034 0.000 0.821 503 A HN 0.331 nan 8.150 nan 0.000 0.443 504 K N -0.900 119.441 120.400 -0.098 0.000 2.057 504 K HA -0.120 4.200 4.320 -0.001 0.000 0.207 504 K C 2.114 178.601 176.600 -0.188 0.000 1.049 504 K CA 1.741 57.941 56.287 -0.144 0.000 0.931 504 K CB -0.304 32.083 32.500 -0.189 0.000 0.714 504 K HN 0.527 nan 8.250 nan 0.000 0.440 505 M N 0.877 120.363 119.600 -0.191 0.000 2.065 505 M HA -0.214 4.266 4.480 -0.001 0.000 0.259 505 M C 1.601 177.801 176.300 -0.167 0.000 1.069 505 M CA 1.588 56.755 55.300 -0.222 0.000 1.110 505 M CB -0.390 32.167 32.600 -0.072 0.000 1.328 505 M HN 0.046 nan 8.290 nan 0.000 0.405 506 D N 0.210 120.625 120.400 0.024 0.000 2.116 506 D HA -0.182 4.458 4.640 -0.001 0.000 0.193 506 D C 2.005 178.333 176.300 0.046 0.000 0.998 506 D CA 1.232 55.303 54.000 0.119 0.000 0.836 506 D CB -0.429 40.430 40.800 0.099 0.000 0.951 506 D HN 0.255 nan 8.370 nan 0.000 0.449 507 E N 0.276 120.458 120.200 -0.030 0.000 2.085 507 E HA -0.141 4.209 4.350 -0.001 0.000 0.194 507 E C 2.201 178.751 176.600 -0.083 0.000 0.994 507 E CA 0.177 56.553 56.400 -0.041 0.000 0.801 507 E CB -0.489 29.176 29.700 -0.058 0.000 0.743 507 E HN 0.240 nan 8.360 nan 0.000 0.453 508 L N -0.235 120.863 121.223 -0.209 0.000 1.990 508 L HA -0.180 4.160 4.340 -0.001 0.000 0.213 508 L C 2.208 178.927 176.870 -0.251 0.000 1.072 508 L CA 1.970 56.614 54.840 -0.326 0.000 0.755 508 L CB -0.791 40.922 42.059 -0.577 0.000 0.889 508 L HN 0.208 nan 8.230 nan 0.000 0.432 509 W N 0.069 121.335 121.300 -0.058 0.000 2.338 509 W HA -0.263 4.397 4.660 -0.001 0.000 0.304 509 W C 2.424 178.932 176.519 -0.018 0.000 1.212 509 W CA 0.832 58.113 57.345 -0.106 0.000 1.264 509 W CB -0.704 28.727 29.460 -0.048 0.000 1.142 509 W HN 0.517 nan 8.180 nan 0.000 0.512 510 N N 0.647 119.475 118.700 0.213 0.000 2.300 510 N HA -0.104 4.636 4.740 -0.001 0.000 0.179 510 N C 1.185 176.761 175.510 0.109 0.000 1.016 510 N CA 1.284 54.427 53.050 0.154 0.000 0.876 510 N CB -0.817 37.741 38.487 0.118 0.000 0.979 510 N HN 0.074 nan 8.380 nan 0.000 0.432 511 K N 0.343 120.782 120.400 0.065 0.000 2.026 511 K HA 0.022 4.342 4.320 -0.001 0.000 0.208 511 K C 1.900 178.553 176.600 0.089 0.000 1.048 511 K CA 1.218 57.536 56.287 0.050 0.000 0.929 511 K CB -0.286 32.217 32.500 0.004 0.000 0.713 511 K HN 0.188 nan 8.250 nan 0.000 0.439 512 L N 0.901 122.188 121.223 0.107 0.000 2.141 512 L HA -0.122 4.218 4.340 -0.001 0.000 0.209 512 L C 2.272 179.333 176.870 0.319 0.000 1.094 512 L CA 1.124 56.079 54.840 0.192 0.000 0.763 512 L CB -0.287 41.845 42.059 0.121 0.000 0.908 512 L HN 0.240 nan 8.230 nan 0.000 0.437 513 S N -3.088 112.797 115.700 0.309 0.000 2.575 513 S HA 0.070 4.540 4.470 -0.001 0.000 0.215 513 S C 1.307 176.003 174.600 0.160 0.000 0.966 513 S CA 0.041 58.408 58.200 0.278 0.000 0.911 513 S CB 0.317 63.697 63.200 0.300 0.000 0.780 513 S HN 0.182 nan 8.310 nan 0.000 0.514 514 S N 1.172 116.950 115.700 0.131 0.000 2.650 514 S HA 0.357 4.826 4.470 -0.001 0.000 0.240 514 S C -0.101 174.544 174.600 0.075 0.000 1.007 514 S CA -0.633 57.620 58.200 0.088 0.000 0.984 514 S CB -0.070 63.174 63.200 0.073 0.000 0.910 514 S HN 0.579 nan 8.310 nan 0.000 0.509 515 K N 1.422 121.876 120.400 0.089 0.000 3.071 515 K HA -0.195 4.125 4.320 -0.001 0.000 0.265 515 K C -0.651 175.983 176.600 0.056 0.000 1.060 515 K CA 0.698 57.028 56.287 0.072 0.000 0.767 515 K CB -1.301 31.232 32.500 0.055 0.000 1.241 515 K HN 0.494 nan 8.250 nan 0.000 0.486 516 E N 0.919 121.153 120.200 0.057 0.000 2.191 516 E HA 0.088 4.438 4.350 -0.001 0.000 0.278 516 E C -0.449 176.173 176.600 0.037 0.000 0.972 516 E CA -0.916 55.508 56.400 0.040 0.000 0.804 516 E CB 1.002 30.723 29.700 0.033 0.000 1.110 516 E HN 0.105 nan 8.360 nan 0.000 0.394 517 D N 2.235 122.652 120.400 0.028 0.000 2.502 517 D HA -0.065 4.575 4.640 -0.001 0.000 0.249 517 D C -0.165 176.142 176.300 0.012 0.000 1.188 517 D CA 0.302 54.316 54.000 0.024 0.000 0.890 517 D CB 0.957 41.769 40.800 0.019 0.000 1.140 517 D HN 0.522 nan 8.370 nan 0.000 0.505 518 A N 3.162 125.989 122.820 0.012 0.000 2.387 518 A HA 0.033 4.353 4.320 -0.001 0.000 0.234 518 A C 1.999 179.571 177.584 -0.019 0.000 1.253 518 A CA 0.507 52.534 52.037 -0.016 0.000 0.894 518 A CB -0.200 18.781 19.000 -0.031 0.000 0.963 518 A HN 0.596 nan 8.150 nan 0.000 0.508 519 S N 0.586 116.288 115.700 0.005 0.000 2.387 519 S HA -0.158 4.311 4.470 -0.001 0.000 0.230 519 S C 1.994 176.596 174.600 0.004 0.000 1.035 519 S CA 1.530 59.741 58.200 0.017 0.000 1.014 519 S CB -0.556 62.660 63.200 0.026 0.000 0.836 519 S HN 0.888 nan 8.310 nan 0.000 0.466 520 A N 1.258 124.070 122.820 -0.013 0.000 1.929 520 A HA 0.231 4.550 4.320 -0.001 0.000 0.216 520 A C 2.224 179.777 177.584 -0.052 0.000 1.176 520 A CA 1.208 53.231 52.037 -0.024 0.000 0.628 520 A CB -0.757 18.227 19.000 -0.027 0.000 0.816 520 A HN 0.470 nan 8.150 nan 0.000 0.444 521 L N -0.074 121.105 121.223 -0.074 0.000 2.056 521 L HA -0.106 4.234 4.340 -0.001 0.000 0.207 521 L C 2.366 179.141 176.870 -0.158 0.000 1.078 521 L CA 1.455 56.220 54.840 -0.126 0.000 0.749 521 L CB -0.433 41.541 42.059 -0.143 0.000 0.901 521 L HN 0.412 nan 8.230 nan 0.000 0.433 522 I N -0.845 119.655 120.570 -0.118 0.000 2.127 522 I HA -0.349 3.820 4.170 -0.001 0.000 0.241 522 I C 2.530 178.620 176.117 -0.045 0.000 1.075 522 I CA 1.665 62.890 61.300 -0.124 0.000 1.334 522 I CB -0.370 37.614 38.000 -0.027 0.000 1.040 522 I HN 0.380 nan 8.210 nan 0.000 0.405 523 E N 1.119 121.353 120.200 0.057 0.000 2.070 523 E HA -0.293 4.057 4.350 -0.001 0.000 0.197 523 E C 2.038 178.654 176.600 0.026 0.000 1.004 523 E CA 1.811 58.279 56.400 0.112 0.000 0.805 523 E CB 0.005 29.739 29.700 0.057 0.000 0.744 523 E HN 0.495 nan 8.360 nan 0.000 0.451 524 E N 0.102 120.260 120.200 -0.070 0.000 2.077 524 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 524 E C 2.277 178.728 176.600 -0.248 0.000 0.989 524 E CA 1.118 57.440 56.400 -0.131 0.000 0.800 524 E CB -0.049 29.566 29.700 -0.142 0.000 0.746 524 E HN 0.324 nan 8.360 nan 0.000 0.452 525 L N -0.249 120.751 121.223 -0.371 0.000 2.093 525 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 525 L C 2.191 178.592 176.870 -0.782 0.000 1.085 525 L CA 1.063 55.446 54.840 -0.760 0.000 0.755 525 L CB -0.467 41.106 42.059 -0.811 0.000 0.904 525 L HN 0.187 nan 8.230 nan 0.000 0.435 526 Y N 0.313 120.435 120.300 -0.296 0.000 2.151 526 Y HA -0.259 4.291 4.550 -0.000 0.000 0.284 526 Y C 2.595 178.421 175.900 -0.124 0.000 1.166 526 Y CA 1.119 59.160 58.100 -0.099 0.000 1.163 526 Y CB -0.573 37.877 38.460 -0.017 0.000 0.974 526 Y HN 0.195 nan 8.280 nan 0.000 0.511 527 G N -0.649 108.151 108.800 0.000 0.000 2.422 527 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.218 527 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.218 527 G C 1.406 176.259 174.900 -0.080 0.000 1.146 527 G CA 1.068 46.151 45.100 -0.028 0.000 0.769 527 G HN 0.443 nan 8.290 nan 0.000 0.547 528 E N -0.558 119.501 120.200 -0.235 0.000 2.107 528 E HA -0.039 4.311 4.350 -0.001 0.000 0.191 528 E C 2.058 178.615 176.600 -0.070 0.000 0.982 528 E CA 0.536 56.803 56.400 -0.222 0.000 0.809 528 E CB -0.126 29.356 29.700 -0.362 0.000 0.756 528 E HN 0.383 nan 8.360 nan 0.000 0.459 529 F N 0.740 120.686 119.950 -0.006 0.000 2.186 529 F HA 0.058 4.585 4.527 -0.001 0.000 0.299 529 F C 2.347 178.163 175.800 0.026 0.000 1.090 529 F CA 0.846 58.846 58.000 0.001 0.000 1.307 529 F CB -1.224 37.776 39.000 -0.000 0.000 1.019 529 F HN 0.104 nan 8.300 nan 0.000 0.489 530 A N 0.121 123.066 122.820 0.209 0.000 1.933 530 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 530 A C 2.295 179.929 177.584 0.084 0.000 1.175 530 A CA 1.886 54.000 52.037 0.129 0.000 0.628 530 A CB -0.710 18.348 19.000 0.097 0.000 0.814 530 A HN 0.261 nan 8.150 nan 0.000 0.444 531 R N -0.554 119.988 120.500 0.070 0.000 2.092 531 R HA 0.026 4.366 4.340 -0.001 0.000 0.231 531 R C 2.001 178.343 176.300 0.070 0.000 1.119 531 R CA 1.890 58.022 56.100 0.054 0.000 0.970 531 R CB -0.569 29.754 30.300 0.039 0.000 0.864 531 R HN 0.546 nan 8.270 nan 0.000 0.440 532 M N -0.066 119.593 119.600 0.097 0.000 2.080 532 M HA -0.174 4.306 4.480 -0.001 0.000 0.260 532 M C 2.246 178.577 176.300 0.051 0.000 1.068 532 M CA 2.253 57.603 55.300 0.084 0.000 1.109 532 M CB -0.327 32.315 32.600 0.069 0.000 1.342 532 M HN 0.277 nan 8.290 nan 0.000 0.405 533 E N 0.380 120.611 120.200 0.052 0.000 2.051 533 E HA -0.265 4.085 4.350 -0.001 0.000 0.192 533 E C 1.915 178.524 176.600 0.015 0.000 0.991 533 E CA 1.519 57.936 56.400 0.029 0.000 0.799 533 E CB -0.047 29.678 29.700 0.042 0.000 0.748 533 E HN 0.510 nan 8.360 nan 0.000 0.449 534 E N -0.102 120.112 120.200 0.023 0.000 2.077 534 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 534 E C 1.918 178.517 176.600 -0.001 0.000 0.989 534 E CA 1.079 57.485 56.400 0.010 0.000 0.800 534 E CB -0.158 29.551 29.700 0.014 0.000 0.746 534 E HN 0.329 nan 8.360 nan 0.000 0.452 535 A N 0.487 123.313 122.820 0.011 0.000 1.898 535 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 535 A C 2.475 180.037 177.584 -0.038 0.000 1.181 535 A CA 1.358 53.397 52.037 0.003 0.000 0.620 535 A CB -0.849 18.176 19.000 0.042 0.000 0.819 535 A HN 0.525 nan 8.150 nan 0.000 0.442 536 C N -0.277 118.996 119.300 -0.045 0.000 2.440 536 C HA -0.046 4.413 4.460 -0.001 0.000 0.278 536 C C 2.638 177.555 174.990 -0.122 0.000 1.295 536 C CA 0.961 59.904 59.018 -0.125 0.000 1.738 536 C CB -1.396 26.287 27.740 -0.095 0.000 1.987 536 C HN 0.613 nan 8.230 nan 0.000 0.492 537 N N 1.369 120.027 118.700 -0.070 0.000 2.188 537 N HA -0.107 4.632 4.740 -0.001 0.000 0.184 537 N C 1.526 177.000 175.510 -0.061 0.000 1.018 537 N CA 1.198 54.212 53.050 -0.060 0.000 0.858 537 N CB -0.637 37.829 38.487 -0.035 0.000 0.989 537 N HN 0.548 nan 8.380 nan 0.000 0.426 538 N N 0.992 119.660 118.700 -0.054 0.000 2.188 538 N HA 0.017 4.757 4.740 -0.001 0.000 0.184 538 N C 1.772 177.243 175.510 -0.065 0.000 1.018 538 N CA 0.578 53.599 53.050 -0.048 0.000 0.858 538 N CB -0.155 38.312 38.487 -0.033 0.000 0.989 538 N HN 0.161 nan 8.380 nan 0.000 0.426 539 L N 0.301 121.464 121.223 -0.100 0.000 2.046 539 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 539 L C 2.212 179.003 176.870 -0.132 0.000 1.077 539 L CA 1.214 55.972 54.840 -0.136 0.000 0.747 539 L CB -0.358 41.557 42.059 -0.241 0.000 0.896 539 L HN 0.155 nan 8.230 nan 0.000 0.432 540 K N 0.057 120.374 120.400 -0.138 0.000 2.103 540 K HA -0.158 4.161 4.320 -0.001 0.000 0.207 540 K C 2.122 178.678 176.600 -0.072 0.000 1.048 540 K CA 1.466 57.688 56.287 -0.109 0.000 0.930 540 K CB -0.247 32.194 32.500 -0.098 0.000 0.716 540 K HN 0.319 nan 8.250 nan 0.000 0.444 541 A N 0.834 123.618 122.820 -0.060 0.000 2.021 541 A HA -0.009 4.311 4.320 -0.001 0.000 0.216 541 A C 1.520 179.082 177.584 -0.036 0.000 1.163 541 A CA 0.979 52.990 52.037 -0.043 0.000 0.676 541 A CB 0.086 19.064 19.000 -0.036 0.000 0.818 541 A HN 0.190 nan 8.150 nan 0.000 0.453 542 N N -1.211 117.467 118.700 -0.038 0.000 2.239 542 N HA 0.218 4.957 4.740 -0.001 0.000 0.208 542 N C -0.030 175.471 175.510 -0.016 0.000 1.200 542 N CA -0.120 52.915 53.050 -0.025 0.000 0.895 542 N CB 0.381 38.856 38.487 -0.020 0.000 1.085 542 N HN 0.302 nan 8.380 nan 0.000 0.500 543 L N 3.672 124.882 121.223 -0.021 0.000 2.485 543 L HA 0.126 4.466 4.340 -0.001 0.000 0.275 543 L C -1.728 175.138 176.870 -0.008 0.000 1.207 543 L CA -0.979 53.863 54.840 0.004 0.000 0.855 543 L CB 0.266 42.320 42.059 -0.009 0.000 1.114 543 L HN -0.054 nan 8.230 nan 0.000 0.485 544 P HA 0.025 nan 4.420 nan 0.000 0.274 544 P C 0.022 177.309 177.300 -0.021 0.000 1.237 544 P CA -0.376 62.711 63.100 -0.021 0.000 0.793 544 P CB 0.954 32.633 31.700 -0.036 0.000 0.977 545 E N 1.601 121.786 120.200 -0.025 0.000 2.118 545 E HA -0.171 4.178 4.350 -0.001 0.000 0.195 545 E C 1.645 178.232 176.600 -0.022 0.000 0.992 545 E CA 1.265 57.651 56.400 -0.023 0.000 0.804 545 E CB -1.004 28.683 29.700 -0.021 0.000 0.741 545 E HN 0.166 nan 8.360 nan 0.000 0.458 546 V N -0.123 119.773 119.914 -0.030 0.000 2.392 546 V HA -0.264 3.855 4.120 -0.001 0.000 0.249 546 V C 1.982 178.061 176.094 -0.025 0.000 1.059 546 V CA 2.368 64.646 62.300 -0.037 0.000 1.051 546 V CB -0.508 31.276 31.823 -0.065 0.000 0.658 546 V HN 0.462 nan 8.190 nan 0.000 0.455 547 A N -0.814 122.000 122.820 -0.011 0.000 1.887 547 A HA 0.034 4.354 4.320 -0.001 0.000 0.212 547 A C 2.027 179.612 177.584 0.002 0.000 1.198 547 A CA 1.313 53.365 52.037 0.024 0.000 0.628 547 A CB -0.683 18.376 19.000 0.099 0.000 0.847 547 A HN 0.487 nan 8.150 nan 0.000 0.449 548 L N 1.316 122.530 121.223 -0.015 0.000 2.013 548 L HA -0.238 4.102 4.340 -0.001 0.000 0.212 548 L C 2.533 179.381 176.870 -0.037 0.000 1.073 548 L CA 2.761 57.576 54.840 -0.042 0.000 0.753 548 L CB -0.743 41.290 42.059 -0.043 0.000 0.890 548 L HN 0.710 nan 8.230 nan 0.000 0.432 549 E N -1.309 118.880 120.200 -0.020 0.000 2.331 549 E HA -0.247 4.103 4.350 -0.001 0.000 0.199 549 E C 1.531 178.130 176.600 -0.002 0.000 1.008 549 E CA 1.463 57.859 56.400 -0.006 0.000 0.843 549 E CB -0.388 29.316 29.700 0.007 0.000 0.761 549 E HN 0.675 nan 8.360 nan 0.000 0.507 550 E N 0.047 120.231 120.200 -0.026 0.000 2.250 550 E HA -0.028 4.322 4.350 -0.001 0.000 0.192 550 E C 1.720 178.212 176.600 -0.181 0.000 0.986 550 E CA 1.081 57.412 56.400 -0.115 0.000 0.849 550 E CB 0.380 30.018 29.700 -0.103 0.000 0.797 550 E HN 0.590 nan 8.360 nan 0.000 0.482 551 C N -1.004 118.248 119.300 -0.080 0.000 3.785 551 C HA 0.315 4.775 4.460 -0.001 0.000 0.312 551 C C 2.532 177.492 174.990 -0.049 0.000 1.566 551 C CA -0.066 58.933 59.018 -0.031 0.000 1.837 551 C CB -0.520 27.251 27.740 0.052 0.000 2.826 551 C HN 0.239 nan 8.230 nan 0.000 0.667 552 S N 2.563 118.227 115.700 -0.060 0.000 2.370 552 S HA -0.214 4.256 4.470 -0.001 0.000 0.226 552 S C 1.933 176.512 174.600 -0.036 0.000 1.033 552 S CA 1.442 59.599 58.200 -0.072 0.000 1.011 552 S CB -0.604 62.565 63.200 -0.052 0.000 0.852 552 S HN 0.759 nan 8.310 nan 0.000 0.457 553 R N 0.961 121.468 120.500 0.012 0.000 2.092 553 R HA 0.010 4.350 4.340 -0.001 0.000 0.231 553 R C 2.660 178.995 176.300 0.057 0.000 1.119 553 R CA 1.600 57.727 56.100 0.046 0.000 0.970 553 R CB -0.344 30.019 30.300 0.105 0.000 0.864 553 R HN 0.450 nan 8.270 nan 0.000 0.440 554 Q N 0.091 119.944 119.800 0.087 0.000 2.172 554 Q HA -0.058 4.282 4.340 -0.001 0.000 0.200 554 Q C 1.826 177.972 176.000 0.244 0.000 0.964 554 Q CA 0.831 56.736 55.803 0.171 0.000 0.855 554 Q CB -0.063 28.825 28.738 0.249 0.000 0.918 554 Q HN 0.111 nan 8.270 nan 0.000 0.444 555 L N 0.950 122.199 121.223 0.043 0.000 1.989 555 L HA -0.207 4.132 4.340 -0.001 0.000 0.211 555 L C 1.520 178.363 176.870 -0.045 0.000 1.071 555 L CA 1.909 56.653 54.840 -0.161 0.000 0.749 555 L CB -1.077 40.767 42.059 -0.360 0.000 0.890 555 L HN 0.242 nan 8.230 nan 0.000 0.431 556 D N -0.818 119.562 120.400 -0.032 0.000 2.144 556 D HA -0.187 4.453 4.640 -0.001 0.000 0.199 556 D C 2.168 178.469 176.300 0.003 0.000 0.984 556 D CA 0.828 54.818 54.000 -0.017 0.000 0.834 556 D CB 0.064 40.858 40.800 -0.011 0.000 0.955 556 D HN 0.412 nan 8.370 nan 0.000 0.465 557 E N -0.061 120.154 120.200 0.024 0.000 2.106 557 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 557 E C 2.081 178.690 176.600 0.015 0.000 0.984 557 E CA 0.307 56.719 56.400 0.021 0.000 0.806 557 E CB -0.008 29.706 29.700 0.023 0.000 0.750 557 E HN 0.115 nan 8.360 nan 0.000 0.458 558 L N 1.003 122.254 121.223 0.047 0.000 2.093 558 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 558 L C 2.107 178.963 176.870 -0.024 0.000 1.085 558 L CA 1.184 56.031 54.840 0.012 0.000 0.755 558 L CB -0.275 41.846 42.059 0.102 0.000 0.904 558 L HN 0.119 nan 8.230 nan 0.000 0.435 559 I N -1.130 119.435 120.570 -0.008 0.000 2.127 559 I HA -0.370 3.800 4.170 -0.001 0.000 0.241 559 I C 2.244 178.348 176.117 -0.021 0.000 1.075 559 I CA 1.885 63.175 61.300 -0.016 0.000 1.334 559 I CB -0.799 37.190 38.000 -0.018 0.000 1.040 559 I HN 0.254 nan 8.210 nan 0.000 0.405 560 T N 1.420 115.963 114.554 -0.019 0.000 2.665 560 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 560 T C 1.945 176.624 174.700 -0.036 0.000 1.035 560 T CA 1.425 63.512 62.100 -0.020 0.000 1.151 560 T CB -0.395 68.465 68.868 -0.013 0.000 0.862 560 T HN 0.243 nan 8.240 nan 0.000 0.438 561 L N 0.614 121.809 121.223 -0.046 0.000 2.046 561 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 561 L C 3.054 179.845 176.870 -0.131 0.000 1.077 561 L CA 1.200 55.996 54.840 -0.072 0.000 0.747 561 L CB -0.704 41.315 42.059 -0.067 0.000 0.896 561 L HN 0.258 nan 8.230 nan 0.000 0.432 562 A N -0.451 122.297 122.820 -0.119 0.000 1.933 562 A HA -0.259 4.061 4.320 -0.001 0.000 0.218 562 A C 2.209 179.732 177.584 -0.101 0.000 1.175 562 A CA 1.596 53.558 52.037 -0.125 0.000 0.628 562 A CB -0.438 18.558 19.000 -0.008 0.000 0.814 562 A HN 0.476 nan 8.150 nan 0.000 0.444 563 Q N -0.981 118.790 119.800 -0.049 0.000 2.119 563 Q HA -0.076 4.263 4.340 -0.001 0.000 0.201 563 Q C 2.161 178.140 176.000 -0.034 0.000 0.972 563 Q CA 1.147 56.940 55.803 -0.016 0.000 0.847 563 Q CB -0.339 28.397 28.738 -0.005 0.000 0.903 563 Q HN 0.691 nan 8.270 nan 0.000 0.433 564 G N 0.631 109.392 108.800 -0.066 0.000 2.408 564 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.215 564 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.215 564 G C 0.853 175.697 174.900 -0.093 0.000 1.156 564 G CA 0.645 45.708 45.100 -0.062 0.000 0.793 564 G HN 0.205 nan 8.290 nan 0.000 0.535 565 D N 0.653 120.912 120.400 -0.235 0.000 2.104 565 D HA -0.109 4.530 4.640 -0.001 0.000 0.194 565 D C 2.289 178.402 176.300 -0.312 0.000 0.994 565 D CA 0.843 54.544 54.000 -0.499 0.000 0.830 565 D CB -0.097 39.742 40.800 -1.602 0.000 0.959 565 D HN 0.199 nan 8.370 nan 0.000 0.452 566 K N 1.265 121.585 120.400 -0.133 0.000 2.002 566 K HA -0.095 4.225 4.320 -0.001 0.000 0.209 566 K C 1.967 178.674 176.600 0.178 0.000 1.048 566 K CA 1.398 57.797 56.287 0.186 0.000 0.930 566 K CB -0.349 32.297 32.500 0.244 0.000 0.714 566 K HN 0.035 nan 8.250 nan 0.000 0.438 567 A N 0.761 123.634 122.820 0.089 0.000 1.978 567 A HA -0.122 4.198 4.320 -0.001 0.000 0.220 567 A C 2.293 179.906 177.584 0.049 0.000 1.170 567 A CA 2.091 54.167 52.037 0.066 0.000 0.636 567 A CB -0.528 18.480 19.000 0.013 0.000 0.810 567 A HN 0.435 nan 8.150 nan 0.000 0.448 568 S N -0.177 115.546 115.700 0.037 0.000 2.368 568 S HA -0.076 4.394 4.470 -0.001 0.000 0.225 568 S C 1.783 176.432 174.600 0.082 0.000 1.030 568 S CA 1.392 59.605 58.200 0.021 0.000 0.999 568 S CB -0.397 62.773 63.200 -0.051 0.000 0.844 568 S HN 0.547 nan 8.310 nan 0.000 0.459 569 L N 1.230 122.518 121.223 0.108 0.000 2.093 569 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 569 L C 2.037 178.981 176.870 0.124 0.000 1.085 569 L CA 0.985 55.824 54.840 -0.003 0.000 0.755 569 L CB -0.674 41.090 42.059 -0.490 0.000 0.904 569 L HN 0.183 nan 8.230 nan 0.000 0.435 570 D N -0.130 120.399 120.400 0.216 0.000 2.149 570 D HA -0.202 4.438 4.640 -0.001 0.000 0.198 570 D C 2.303 178.710 176.300 0.177 0.000 0.990 570 D CA 1.288 55.432 54.000 0.239 0.000 0.839 570 D CB -0.054 40.857 40.800 0.185 0.000 0.948 570 D HN 0.262 nan 8.370 nan 0.000 0.460 571 M N -0.208 119.473 119.600 0.134 0.000 2.086 571 M HA -0.116 4.364 4.480 -0.001 0.000 0.261 571 M C 2.216 178.714 176.300 0.330 0.000 1.067 571 M CA 1.055 56.459 55.300 0.173 0.000 1.116 571 M CB -0.157 32.490 32.600 0.080 0.000 1.348 571 M HN 0.002 nan 8.290 nan 0.000 0.407 572 I N -0.535 120.194 120.570 0.266 0.000 2.127 572 I HA -0.296 3.874 4.170 -0.001 0.000 0.241 572 I C 2.252 178.503 176.117 0.224 0.000 1.075 572 I CA 1.257 62.715 61.300 0.264 0.000 1.334 572 I CB -0.504 37.592 38.000 0.161 0.000 1.040 572 I HN 0.073 nan 8.210 nan 0.000 0.405 573 V N 0.971 121.005 119.914 0.200 0.000 2.407 573 V HA -0.290 3.830 4.120 -0.001 0.000 0.248 573 V C 2.679 178.876 176.094 0.172 0.000 1.055 573 V CA 1.920 64.329 62.300 0.182 0.000 1.049 573 V CB -1.129 30.821 31.823 0.212 0.000 0.662 573 V HN 0.515 nan 8.190 nan 0.000 0.455 574 A N -0.933 122.009 122.820 0.203 0.000 1.933 574 A HA -0.247 4.073 4.320 -0.001 0.000 0.218 574 A C 2.220 179.905 177.584 0.169 0.000 1.175 574 A CA 1.715 53.869 52.037 0.195 0.000 0.628 574 A CB -0.379 18.774 19.000 0.256 0.000 0.814 574 A HN 0.616 nan 8.150 nan 0.000 0.444 575 Q N -0.496 119.417 119.800 0.188 0.000 2.016 575 Q HA -0.081 4.259 4.340 -0.001 0.000 0.200 575 Q C 2.126 178.179 176.000 0.088 0.000 0.978 575 Q CA 1.341 57.202 55.803 0.096 0.000 0.833 575 Q CB -0.351 28.454 28.738 0.111 0.000 0.895 575 Q HN 0.671 nan 8.270 nan 0.000 0.427 576 L N 1.158 122.453 121.223 0.121 0.000 2.051 576 L HA -0.262 4.078 4.340 -0.001 0.000 0.214 576 L C 1.715 178.631 176.870 0.076 0.000 1.076 576 L CA 1.006 55.905 54.840 0.099 0.000 0.758 576 L CB -0.455 41.669 42.059 0.108 0.000 0.890 576 L HN 0.249 nan 8.230 nan 0.000 0.433 577 N N -0.107 118.642 118.700 0.082 0.000 2.412 577 N HA -0.052 4.688 4.740 -0.001 0.000 0.184 577 N C 0.011 175.553 175.510 0.053 0.000 1.101 577 N CA 0.233 53.323 53.050 0.066 0.000 0.881 577 N CB 0.098 38.629 38.487 0.074 0.000 0.969 577 N HN 0.268 nan 8.380 nan 0.000 0.459 578 E N 0.592 120.820 120.200 0.047 0.000 2.360 578 E HA -0.205 4.144 4.350 -0.001 0.000 0.238 578 E C -0.874 175.747 176.600 0.035 0.000 1.186 578 E CA 0.359 56.775 56.400 0.026 0.000 0.719 578 E CB -1.158 28.551 29.700 0.015 0.000 1.236 578 E HN 0.259 nan 8.360 nan 0.000 0.386 579 D N -0.109 120.328 120.400 0.062 0.000 2.454 579 D HA 0.172 4.811 4.640 -0.001 0.000 0.225 579 D C 0.770 177.133 176.300 0.104 0.000 1.081 579 D CA -0.237 53.806 54.000 0.073 0.000 0.864 579 D CB 1.087 41.934 40.800 0.078 0.000 1.040 579 D HN -0.070 nan 8.370 nan 0.000 0.517 580 T N 2.905 117.506 114.554 0.080 0.000 2.746 580 T HA -0.141 4.208 4.350 -0.001 0.000 0.267 580 T C 1.255 176.047 174.700 0.152 0.000 1.039 580 T CA 1.344 63.505 62.100 0.102 0.000 1.142 580 T CB 0.236 69.135 68.868 0.051 0.000 0.866 580 T HN 0.393 nan 8.240 nan 0.000 0.444 581 E N 1.366 121.628 120.200 0.103 0.000 2.072 581 E HA 0.136 4.486 4.350 -0.001 0.000 0.190 581 E C 2.357 179.010 176.600 0.088 0.000 0.982 581 E CA 0.968 57.419 56.400 0.085 0.000 0.803 581 E CB -0.507 29.227 29.700 0.056 0.000 0.755 581 E HN 0.446 nan 8.360 nan 0.000 0.453 582 A N 0.204 123.082 122.820 0.096 0.000 1.972 582 A HA -0.212 4.107 4.320 -0.001 0.000 0.219 582 A C 2.091 179.740 177.584 0.109 0.000 1.169 582 A CA 1.427 53.518 52.037 0.091 0.000 0.635 582 A CB -0.776 18.280 19.000 0.093 0.000 0.810 582 A HN 0.399 nan 8.150 nan 0.000 0.446 583 Y N 0.778 121.106 120.300 0.047 0.000 2.114 583 Y HA -0.190 4.360 4.550 -0.001 0.000 0.284 583 Y C 2.359 178.284 175.900 0.041 0.000 1.143 583 Y CA 2.172 60.302 58.100 0.051 0.000 1.135 583 Y CB -0.143 38.345 38.460 0.046 0.000 0.980 583 Y HN 0.305 nan 8.280 nan 0.000 0.499 584 E N -0.029 120.204 120.200 0.054 0.000 2.085 584 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 584 E C 2.389 178.937 176.600 -0.088 0.000 0.994 584 E CA 1.490 57.873 56.400 -0.028 0.000 0.801 584 E CB -0.540 29.209 29.700 0.080 0.000 0.743 584 E HN 0.458 nan 8.360 nan 0.000 0.453 585 S N 0.816 116.491 115.700 -0.042 0.000 2.368 585 S HA -0.118 4.352 4.470 -0.001 0.000 0.225 585 S C 2.056 176.619 174.600 -0.062 0.000 1.030 585 S CA 1.094 59.273 58.200 -0.036 0.000 0.999 585 S CB -0.136 63.062 63.200 -0.003 0.000 0.844 585 S HN 0.414 nan 8.310 nan 0.000 0.459 586 A N 1.632 124.398 122.820 -0.089 0.000 1.897 586 A HA -0.063 4.257 4.320 -0.001 0.000 0.215 586 A C 2.014 179.509 177.584 -0.148 0.000 1.181 586 A CA 1.509 53.495 52.037 -0.086 0.000 0.620 586 A CB -0.471 18.497 19.000 -0.053 0.000 0.821 586 A HN 0.439 nan 8.150 nan 0.000 0.443 587 K N -0.016 120.212 120.400 -0.287 0.000 2.063 587 K HA -0.240 4.080 4.320 -0.001 0.000 0.208 587 K C 2.052 178.566 176.600 -0.143 0.000 1.048 587 K CA 1.850 57.965 56.287 -0.287 0.000 0.928 587 K CB -0.188 32.035 32.500 -0.462 0.000 0.713 587 K HN 0.649 nan 8.250 nan 0.000 0.442 588 E N 0.588 120.722 120.200 -0.110 0.000 2.077 588 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 588 E C 2.025 178.598 176.600 -0.046 0.000 0.989 588 E CA 1.311 57.674 56.400 -0.061 0.000 0.800 588 E CB -0.080 29.595 29.700 -0.042 0.000 0.746 588 E HN 0.380 nan 8.360 nan 0.000 0.452 589 I N 0.970 121.513 120.570 -0.045 0.000 2.202 589 I HA -0.237 3.933 4.170 -0.001 0.000 0.242 589 I C 2.666 178.763 176.117 -0.033 0.000 1.091 589 I CA 0.943 62.225 61.300 -0.030 0.000 1.368 589 I CB -0.458 37.532 38.000 -0.018 0.000 1.058 589 I HN 0.203 nan 8.210 nan 0.000 0.410 590 A N 0.378 123.170 122.820 -0.047 0.000 1.883 590 A HA -0.322 3.998 4.320 -0.001 0.000 0.217 590 A C 2.250 179.809 177.584 -0.042 0.000 1.186 590 A CA 2.226 54.235 52.037 -0.047 0.000 0.624 590 A CB -0.748 18.214 19.000 -0.064 0.000 0.822 590 A HN 0.429 nan 8.150 nan 0.000 0.444 591 Q N 0.210 119.982 119.800 -0.046 0.000 2.084 591 Q HA -0.173 4.167 4.340 -0.001 0.000 0.202 591 Q C 1.743 177.729 176.000 -0.024 0.000 0.978 591 Q CA 2.214 57.996 55.803 -0.034 0.000 0.844 591 Q CB -0.367 28.350 28.738 -0.035 0.000 0.898 591 Q HN 0.661 nan 8.270 nan 0.000 0.426 592 N N -0.248 118.438 118.700 -0.023 0.000 2.142 592 N HA -0.110 4.630 4.740 -0.001 0.000 0.186 592 N C 1.325 176.827 175.510 -0.014 0.000 1.023 592 N CA 1.128 54.168 53.050 -0.016 0.000 0.852 592 N CB -0.087 38.391 38.487 -0.015 0.000 0.998 592 N HN 0.171 nan 8.380 nan 0.000 0.424 593 K N 0.776 121.166 120.400 -0.018 0.000 2.025 593 K HA -0.044 4.275 4.320 -0.001 0.000 0.207 593 K C 1.976 178.566 176.600 -0.016 0.000 1.049 593 K CA 0.395 56.672 56.287 -0.017 0.000 0.933 593 K CB -0.826 31.660 32.500 -0.024 0.000 0.714 593 K HN 0.151 nan 8.250 nan 0.000 0.438 594 L N 2.264 123.477 121.223 -0.017 0.000 2.042 594 L HA -0.170 4.169 4.340 -0.001 0.000 0.210 594 L C 1.586 178.452 176.870 -0.007 0.000 1.076 594 L CA 1.759 56.592 54.840 -0.012 0.000 0.749 594 L CB -0.686 41.365 42.059 -0.014 0.000 0.893 594 L HN 0.101 nan 8.230 nan 0.000 0.432 595 N N -0.760 117.935 118.700 -0.007 0.000 2.084 595 N HA -0.158 4.582 4.740 -0.001 0.000 0.190 595 N C 1.747 177.257 175.510 0.000 0.000 1.030 595 N CA 1.963 55.011 53.050 -0.003 0.000 0.849 595 N CB -0.859 37.626 38.487 -0.004 0.000 1.012 595 N HN 0.396 nan 8.380 nan 0.000 0.423 596 T N 1.148 115.701 114.554 -0.001 0.000 2.653 596 T HA -0.183 4.166 4.350 -0.001 0.000 0.268 596 T C 1.929 176.630 174.700 0.003 0.000 1.035 596 T CA 1.778 63.879 62.100 0.002 0.000 1.154 596 T CB -0.529 68.338 68.868 -0.001 0.000 0.862 596 T HN 0.384 nan 8.240 nan 0.000 0.441 597 A N 1.175 123.994 122.820 -0.001 0.000 1.877 597 A HA 0.002 4.322 4.320 -0.001 0.000 0.216 597 A C 2.351 179.933 177.584 -0.004 0.000 1.186 597 A CA 1.291 53.326 52.037 -0.004 0.000 0.620 597 A CB -0.878 18.119 19.000 -0.005 0.000 0.822 597 A HN 0.493 nan 8.150 nan 0.000 0.443 598 L N -0.492 120.732 121.223 0.001 0.000 2.131 598 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 598 L C 2.085 178.960 176.870 0.007 0.000 1.092 598 L CA 1.301 56.143 54.840 0.004 0.000 0.759 598 L CB -0.309 41.755 42.059 0.008 0.000 0.903 598 L HN 0.269 nan 8.230 nan 0.000 0.435 599 S N -0.910 114.796 115.700 0.010 0.000 2.671 599 S HA 0.085 4.554 4.470 -0.001 0.000 0.220 599 S C 0.653 175.270 174.600 0.028 0.000 0.951 599 S CA -0.102 58.109 58.200 0.018 0.000 0.932 599 S CB 0.087 63.297 63.200 0.017 0.000 0.777 599 S HN 0.207 nan 8.310 nan 0.000 0.508 600 S N 0.560 116.273 115.700 0.022 0.000 2.549 600 S HA 0.426 4.896 4.470 -0.001 0.000 0.297 600 S C 0.471 175.102 174.600 0.051 0.000 1.115 600 S CA -0.761 57.467 58.200 0.047 0.000 1.059 600 S CB 1.028 64.246 63.200 0.031 0.000 1.046 600 S HN 0.429 nan 8.310 nan 0.000 0.506 601 F N 2.998 122.923 119.950 -0.041 0.000 2.091 601 F HA -0.043 4.484 4.527 -0.001 0.000 0.299 601 F C 1.265 177.008 175.800 -0.095 0.000 1.103 601 F CA 1.376 59.337 58.000 -0.065 0.000 1.228 601 F CB -0.370 38.601 39.000 -0.048 0.000 0.984 601 F HN 0.641 nan 8.300 nan 0.000 0.477 602 A N 0.997 123.759 122.820 -0.096 0.000 2.498 602 A HA 0.438 4.758 4.320 -0.001 0.000 0.239 602 A C -0.528 176.906 177.584 -0.251 0.000 1.068 602 A CA -0.102 51.816 52.037 -0.198 0.000 0.766 602 A CB 0.124 19.125 19.000 0.002 0.000 1.003 602 A HN 0.139 nan 8.150 nan 0.000 0.497 603 V N 3.376 123.111 119.914 -0.300 0.000 2.709 603 V HA 0.715 4.835 4.120 -0.001 0.000 0.308 603 V C -0.210 175.821 176.094 -0.104 0.000 1.062 603 V CA -0.352 61.821 62.300 -0.212 0.000 0.901 603 V CB 1.577 33.191 31.823 -0.350 0.000 1.003 603 V HN 0.894 nan 8.190 nan 0.000 0.425 604 I N 2.403 122.954 120.570 -0.033 0.000 2.882 604 I HA 0.420 4.590 4.170 -0.001 0.000 0.298 604 I C 0.421 176.557 176.117 0.032 0.000 1.462 604 I CA -0.070 61.224 61.300 -0.010 0.000 1.000 604 I CB 2.292 40.279 38.000 -0.021 0.000 1.340 604 I HN 0.707 nan 8.210 nan 0.000 0.462 605 S N 2.568 118.304 115.700 0.059 0.000 3.581 605 S HA -0.190 4.279 4.470 -0.001 0.000 0.354 605 S C 1.006 175.659 174.600 0.087 0.000 1.059 605 S CA 1.538 59.807 58.200 0.114 0.000 1.060 605 S CB -0.855 62.472 63.200 0.211 0.000 0.908 605 S HN 0.825 nan 8.310 nan 0.000 0.475 606 E N 0.886 121.126 120.200 0.067 0.000 2.070 606 E HA -0.142 4.208 4.350 -0.001 0.000 0.197 606 E C 1.862 178.500 176.600 0.063 0.000 1.004 606 E CA 1.630 58.068 56.400 0.063 0.000 0.805 606 E CB -0.066 29.674 29.700 0.065 0.000 0.744 606 E HN 0.640 nan 8.360 nan 0.000 0.451 607 K N -0.164 120.268 120.400 0.054 0.000 2.444 607 K HA 0.072 4.391 4.320 -0.001 0.000 0.193 607 K C 0.978 177.632 176.600 0.089 0.000 1.024 607 K CA 0.174 56.495 56.287 0.057 0.000 1.077 607 K CB 0.691 33.206 32.500 0.025 0.000 0.833 607 K HN -0.013 nan 8.250 nan 0.000 0.517 608 V N -0.514 119.463 119.914 0.106 0.000 3.949 608 V HA 0.104 4.223 4.120 -0.001 0.000 0.195 608 V C 1.793 177.997 176.094 0.183 0.000 1.114 608 V CA 0.780 63.160 62.300 0.135 0.000 1.384 608 V CB -0.465 31.409 31.823 0.085 0.000 1.685 608 V HN 0.103 nan 8.190 nan 0.000 0.492 609 A N -0.626 122.303 122.820 0.182 0.000 1.972 609 A HA -0.240 4.080 4.320 -0.001 0.000 0.219 609 A C 2.117 179.757 177.584 0.093 0.000 1.169 609 A CA 2.343 54.444 52.037 0.107 0.000 0.635 609 A CB -0.500 18.512 19.000 0.021 0.000 0.810 609 A HN 0.647 nan 8.150 nan 0.000 0.446 610 Q N -0.881 118.975 119.800 0.093 0.000 2.008 610 Q HA -0.103 4.236 4.340 -0.001 0.000 0.196 610 Q C 2.351 178.408 176.000 0.096 0.000 0.973 610 Q CA 1.472 57.318 55.803 0.071 0.000 0.826 610 Q CB -0.252 28.517 28.738 0.051 0.000 0.894 610 Q HN 0.561 nan 8.270 nan 0.000 0.439 611 S N -0.138 115.632 115.700 0.116 0.000 2.387 611 S HA -0.197 4.273 4.470 -0.001 0.000 0.230 611 S C 1.634 176.342 174.600 0.179 0.000 1.035 611 S CA 1.285 59.556 58.200 0.119 0.000 1.014 611 S CB -0.523 62.749 63.200 0.119 0.000 0.836 611 S HN 0.523 nan 8.310 nan 0.000 0.466 612 F N 1.961 121.970 119.950 0.100 0.000 2.161 612 F HA -0.060 4.467 4.527 -0.001 0.000 0.300 612 F C 1.708 177.592 175.800 0.141 0.000 1.089 612 F CA 1.481 59.584 58.000 0.172 0.000 1.282 612 F CB -0.398 38.674 39.000 0.120 0.000 1.010 612 F HN 0.249 nan 8.300 nan 0.000 0.485 613 I N 0.057 120.648 120.570 0.035 0.000 2.179 613 I HA -0.350 3.820 4.170 -0.001 0.000 0.242 613 I C 2.391 178.456 176.117 -0.087 0.000 1.088 613 I CA 1.598 62.855 61.300 -0.071 0.000 1.357 613 I CB -0.820 37.167 38.000 -0.021 0.000 1.051 613 I HN 0.195 nan 8.210 nan 0.000 0.409 614 Q N 0.696 120.471 119.800 -0.043 0.000 2.061 614 Q HA -0.259 4.081 4.340 -0.001 0.000 0.204 614 Q C 2.181 178.117 176.000 -0.106 0.000 0.984 614 Q CA 1.833 57.605 55.803 -0.052 0.000 0.846 614 Q CB -0.205 28.520 28.738 -0.023 0.000 0.902 614 Q HN 0.541 nan 8.270 nan 0.000 0.421 615 E N 0.520 120.637 120.200 -0.138 0.000 2.058 615 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 615 E C 1.975 178.320 176.600 -0.425 0.000 0.997 615 E CA 1.118 57.329 56.400 -0.315 0.000 0.801 615 E CB -0.179 29.368 29.700 -0.254 0.000 0.746 615 E HN 0.383 nan 8.360 nan 0.000 0.450 616 A N 0.939 123.596 122.820 -0.272 0.000 1.898 616 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 616 A C 2.178 179.760 177.584 -0.005 0.000 1.181 616 A CA 0.976 52.955 52.037 -0.095 0.000 0.620 616 A CB -0.588 18.306 19.000 -0.177 0.000 0.819 616 A HN 0.142 nan 8.150 nan 0.000 0.442 617 L N -0.222 120.970 121.223 -0.050 0.000 2.191 617 L HA -0.122 4.217 4.340 -0.001 0.000 0.212 617 L C 2.226 179.102 176.870 0.011 0.000 1.103 617 L CA 1.334 56.169 54.840 -0.008 0.000 0.769 617 L CB -0.141 41.897 42.059 -0.035 0.000 0.908 617 L HN 0.300 nan 8.230 nan 0.000 0.438 618 S N -1.179 114.495 115.700 -0.043 0.000 2.593 618 S HA 0.065 4.535 4.470 -0.001 0.000 0.217 618 S C 0.340 174.911 174.600 -0.049 0.000 0.966 618 S CA -0.268 57.899 58.200 -0.054 0.000 0.914 618 S CB -0.103 63.041 63.200 -0.093 0.000 0.776 618 S HN 0.165 nan 8.310 nan 0.000 0.523 619 F N 3.136 122.974 119.950 -0.187 0.000 2.396 619 F HA 0.447 4.973 4.527 -0.001 0.000 0.343 619 F C -0.228 175.547 175.800 -0.041 0.000 1.104 619 F CA -0.869 57.022 58.000 -0.183 0.000 1.161 619 F CB 0.721 39.567 39.000 -0.256 0.000 1.146 619 F HN -0.118 nan 8.300 nan 0.000 0.522 620 D N 6.074 125.934 120.400 -0.899 0.000 2.402 620 D HA 0.103 4.743 4.640 -0.001 0.000 0.252 620 D C 0.390 176.206 176.300 -0.807 0.000 1.294 620 D CA -0.392 53.246 54.000 -0.604 0.000 0.948 620 D CB 1.258 41.849 40.800 -0.348 0.000 1.202 620 D HN 0.585 nan 8.370 nan 0.000 0.561 621 L N 3.729 124.630 121.223 -0.535 0.000 2.191 621 L HA -0.091 4.248 4.340 -0.001 0.000 0.212 621 L C 2.236 179.014 176.870 -0.154 0.000 1.103 621 L CA 2.478 57.181 54.840 -0.229 0.000 0.769 621 L CB -0.755 41.387 42.059 0.138 0.000 0.908 621 L HN 0.608 nan 8.230 nan 0.000 0.438 622 T N -3.349 111.105 114.554 -0.167 0.000 2.929 622 T HA -0.177 4.173 4.350 -0.001 0.000 0.271 622 T C 1.688 176.320 174.700 -0.115 0.000 1.085 622 T CA 1.493 63.522 62.100 -0.118 0.000 1.125 622 T CB -0.675 68.120 68.868 -0.121 0.000 0.874 622 T HN 0.440 nan 8.240 nan 0.000 0.494 623 L N 0.080 121.205 121.223 -0.163 0.000 2.558 623 L HA 0.295 4.635 4.340 -0.001 0.000 0.225 623 L C 0.826 177.640 176.870 -0.093 0.000 1.128 623 L CA -0.266 54.495 54.840 -0.132 0.000 0.868 623 L CB -0.486 41.476 42.059 -0.163 0.000 1.006 623 L HN 0.224 nan 8.230 nan 0.000 0.454 624 I N 0.000 120.523 120.570 -0.078 0.000 2.984 624 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 624 I CA 0.000 61.291 61.300 -0.015 0.000 1.566 624 I CB 0.000 38.029 38.000 0.048 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494