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 3pq6_1_A DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.571 174.600 -0.049 0.000 1.055 28 S CA 0.000 58.179 58.200 -0.036 0.000 1.107 28 S CB 0.000 63.182 63.200 -0.030 0.000 0.593 29 L N 0.090 121.276 121.223 -0.062 0.000 2.299 29 L HA 1.084 5.463 4.340 0.065 0.000 0.268 29 L C 0.810 177.597 176.870 -0.139 0.000 1.012 29 L CA -0.907 53.879 54.840 -0.090 0.000 0.816 29 L CB -0.513 41.499 42.059 -0.078 0.000 1.355 29 L HN 0.233 nan 8.230 nan 0.000 0.457 30 A N 0.219 122.893 122.820 -0.242 0.000 2.507 30 A HA 0.510 4.869 4.320 0.065 0.000 0.235 30 A C -2.050 175.379 177.584 -0.258 0.000 1.070 30 A CA -0.603 51.158 52.037 -0.459 0.000 0.768 30 A CB -1.221 17.209 19.000 -0.951 0.000 1.011 30 A HN 0.701 nan 8.150 nan 0.000 0.502 31 P HA 0.092 nan 4.420 nan 0.000 0.271 31 P C 0.240 177.522 177.300 -0.030 0.000 1.216 31 P CA -0.018 63.048 63.100 -0.057 0.000 0.776 31 P CB 0.786 32.492 31.700 0.010 0.000 0.881 32 E N 1.360 121.552 120.200 -0.013 0.000 2.160 32 E HA -0.238 4.151 4.350 0.065 0.000 0.195 32 E C 1.116 177.737 176.600 0.034 0.000 0.991 32 E CA 1.620 58.024 56.400 0.005 0.000 0.810 32 E CB -0.101 29.600 29.700 0.001 0.000 0.742 32 E HN 0.531 nan 8.360 nan 0.000 0.466 33 D N -1.275 119.151 120.400 0.043 0.000 2.378 33 D HA -0.021 4.658 4.640 0.065 0.000 0.227 33 D C 1.260 177.610 176.300 0.082 0.000 1.012 33 D CA 0.856 54.887 54.000 0.051 0.000 0.905 33 D CB -0.253 40.569 40.800 0.038 0.000 0.895 33 D HN 0.250 nan 8.370 nan 0.000 0.532 34 G N 0.302 109.194 108.800 0.153 0.000 2.155 34 G HA2 -0.363 3.636 3.960 0.065 0.000 0.257 34 G HA3 -0.363 3.636 3.960 0.065 0.000 0.257 34 G C 1.045 176.036 174.900 0.151 0.000 0.983 34 G CA 0.946 46.178 45.100 0.219 0.000 0.676 34 G HN 0.715 nan 8.290 nan 0.000 0.528 35 S N -0.178 115.628 115.700 0.177 0.000 2.561 35 S HA 0.029 4.537 4.470 0.065 0.000 0.225 35 S C 1.756 176.408 174.600 0.086 0.000 0.977 35 S CA 1.197 59.447 58.200 0.084 0.000 0.926 35 S CB -0.602 62.636 63.200 0.062 0.000 0.769 35 S HN 1.052 nan 8.310 nan 0.000 0.533 36 H N 0.508 119.584 119.070 0.010 0.000 2.491 36 H HA 0.258 4.853 4.556 0.065 0.000 0.290 36 H C 1.145 176.484 175.328 0.018 0.000 1.050 36 H CA 0.616 56.671 56.048 0.012 0.000 1.309 36 H CB -0.115 29.653 29.762 0.010 0.000 1.392 36 H HN 0.313 nan 8.280 nan 0.000 0.554 37 R N 2.058 122.238 120.500 -0.533 0.000 2.295 37 R HA 0.347 4.726 4.340 0.065 0.000 0.324 37 R C -2.855 173.351 176.300 -0.158 0.000 0.968 37 R CA -2.677 53.192 56.100 -0.385 0.000 0.837 37 R CB 0.660 30.615 30.300 -0.574 0.000 1.133 37 R HN 0.100 nan 8.270 nan 0.000 0.450 38 P HA 0.133 nan 4.420 nan 0.000 0.268 38 P C -0.960 176.331 177.300 -0.014 0.000 1.205 38 P CA -0.245 62.845 63.100 -0.017 0.000 0.771 38 P CB 0.956 32.672 31.700 0.026 0.000 0.858 39 A N 2.807 125.625 122.820 -0.003 0.000 2.498 39 A HA 0.386 4.745 4.320 0.065 0.000 0.239 39 A C 0.871 178.467 177.584 0.019 0.000 1.068 39 A CA 0.149 52.188 52.037 0.003 0.000 0.766 39 A CB -0.366 18.639 19.000 0.007 0.000 1.003 39 A HN 0.571 nan 8.150 nan 0.000 0.497 40 A N 2.878 125.710 122.820 0.019 0.000 3.135 40 A HA 0.496 4.855 4.320 0.065 0.000 0.253 40 A C 0.242 177.846 177.584 0.033 0.000 1.638 40 A CA -0.083 51.972 52.037 0.029 0.000 1.295 40 A CB -0.415 18.599 19.000 0.024 0.000 1.106 40 A HN 0.744 nan 8.150 nan 0.000 0.648 41 E N 0.504 120.726 120.200 0.037 0.000 2.412 41 E HA 0.382 4.771 4.350 0.065 0.000 0.279 41 E C -3.130 173.495 176.600 0.042 0.000 0.984 41 E CA -1.929 54.494 56.400 0.038 0.000 0.788 41 E CB 1.941 31.657 29.700 0.027 0.000 1.277 41 E HN 0.086 nan 8.360 nan 0.000 0.455 42 P HA 0.118 nan 4.420 nan 0.000 0.271 42 P C -0.574 176.737 177.300 0.018 0.000 1.220 42 P CA 0.025 63.143 63.100 0.029 0.000 0.768 42 P CB 0.297 32.001 31.700 0.006 0.000 0.848 43 T N 0.445 115.006 114.554 0.012 0.000 2.916 43 T HA 0.589 4.978 4.350 0.065 0.000 0.305 43 T C -2.986 171.693 174.700 -0.035 0.000 1.119 43 T CA -2.484 59.618 62.100 0.004 0.000 1.008 43 T CB 1.690 70.566 68.868 0.012 0.000 1.129 43 T HN 0.114 nan 8.240 nan 0.000 0.480 44 P HA 0.362 nan 4.420 nan 0.000 0.274 44 P C -2.753 174.422 177.300 -0.210 0.000 1.246 44 P CA -1.580 61.390 63.100 -0.216 0.000 0.795 44 P CB -0.929 30.723 31.700 -0.080 0.000 1.006 45 P HA 0.038 nan 4.420 nan 0.000 0.264 45 P C 1.089 178.348 177.300 -0.068 0.000 1.183 45 P CA 1.466 64.476 63.100 -0.150 0.000 0.763 45 P CB -0.244 31.364 31.700 -0.153 0.000 0.807 46 G N 2.636 111.424 108.800 -0.020 0.000 2.234 46 G HA2 -0.352 3.646 3.960 0.065 0.000 0.260 46 G HA3 -0.352 3.646 3.960 0.065 0.000 0.260 46 G C 1.126 176.027 174.900 0.002 0.000 0.987 46 G CA 0.404 45.504 45.100 -0.000 0.000 0.625 46 G HN 0.689 nan 8.290 nan 0.000 0.532 47 A N -1.209 121.608 122.820 -0.004 0.000 2.067 47 A HA 0.457 4.816 4.320 0.065 0.000 0.217 47 A C 1.251 178.840 177.584 0.009 0.000 1.156 47 A CA 1.905 53.943 52.037 0.003 0.000 0.683 47 A CB 0.052 19.052 19.000 0.001 0.000 0.808 47 A HN 0.490 nan 8.150 nan 0.000 0.455 48 Q N -1.031 118.778 119.800 0.014 0.000 2.418 48 Q HA 0.409 4.788 4.340 0.065 0.000 0.282 48 Q C -3.025 172.990 176.000 0.025 0.000 1.044 48 Q CA -1.799 54.015 55.803 0.019 0.000 0.813 48 Q CB 1.384 30.137 28.738 0.025 0.000 1.428 48 Q HN 0.053 nan 8.270 nan 0.000 0.402 49 P HA 0.103 nan 4.420 nan 0.000 0.272 49 P C -0.314 177.015 177.300 0.048 0.000 1.223 49 P CA -0.027 63.086 63.100 0.021 0.000 0.784 49 P CB 0.338 32.047 31.700 0.016 0.000 0.923 50 T N -1.202 113.376 114.554 0.039 0.000 2.849 50 T HA 0.683 5.071 4.350 0.065 0.000 0.284 50 T C -0.107 174.674 174.700 0.136 0.000 1.004 50 T CA -0.604 61.567 62.100 0.119 0.000 1.021 50 T CB 0.890 69.764 68.868 0.010 0.000 1.013 50 T HN 0.550 nan 8.240 nan 0.000 0.527 51 A N 1.472 124.480 122.820 0.314 0.000 2.594 51 A HA 0.802 5.160 4.320 0.065 0.000 0.291 51 A C -2.988 174.869 177.584 0.455 0.000 1.105 51 A CA -2.067 50.132 52.037 0.271 0.000 0.694 51 A CB 0.727 19.837 19.000 0.182 0.000 1.291 51 A HN 0.667 nan 8.150 nan 0.000 0.410 52 P HA 0.112 nan 4.420 nan 0.000 0.266 52 P C 1.196 178.650 177.300 0.257 0.000 1.195 52 P CA 0.854 64.177 63.100 0.372 0.000 0.768 52 P CB 0.541 32.380 31.700 0.232 0.000 0.838 53 G N 2.426 111.333 108.800 0.179 0.000 2.469 53 G HA2 -0.303 3.696 3.960 0.065 0.000 0.219 53 G HA3 -0.303 3.696 3.960 0.065 0.000 0.219 53 G C 1.534 176.452 174.900 0.030 0.000 1.150 53 G CA 1.186 46.305 45.100 0.032 0.000 0.763 53 G HN 0.598 nan 8.290 nan 0.000 0.561 54 S N -0.135 115.587 115.700 0.037 0.000 2.481 54 S HA 0.175 4.684 4.470 0.065 0.000 0.231 54 S C 2.182 176.802 174.600 0.033 0.000 0.996 54 S CA 0.674 58.882 58.200 0.012 0.000 0.942 54 S CB -0.117 63.085 63.200 0.003 0.000 0.768 54 S HN 0.316 nan 8.310 nan 0.000 0.520 55 L N -0.158 121.102 121.223 0.062 0.000 2.253 55 L HA 0.269 4.648 4.340 0.065 0.000 0.205 55 L C 2.670 179.577 176.870 0.060 0.000 1.078 55 L CA 0.665 55.541 54.840 0.061 0.000 0.805 55 L CB -0.333 41.771 42.059 0.075 0.000 0.963 55 L HN 0.220 nan 8.230 nan 0.000 0.459 56 K N 1.545 121.993 120.400 0.080 0.000 2.057 56 K HA -0.019 4.340 4.320 0.065 0.000 0.206 56 K C 0.753 177.387 176.600 0.057 0.000 1.050 56 K CA 1.464 57.798 56.287 0.079 0.000 0.935 56 K CB 0.004 32.567 32.500 0.105 0.000 0.715 56 K HN 0.171 nan 8.250 nan 0.000 0.439 57 A N 0.598 123.444 122.820 0.043 0.000 3.317 57 A HA 0.345 4.704 4.320 0.065 0.000 0.307 57 A C -2.188 175.404 177.584 0.013 0.000 1.003 57 A CA -0.951 51.108 52.037 0.036 0.000 0.882 57 A CB 0.643 19.667 19.000 0.041 0.000 1.136 57 A HN 0.164 nan 8.150 nan 0.000 0.488 58 P HA -0.078 nan 4.420 nan 0.000 0.226 58 P C 0.054 177.348 177.300 -0.009 0.000 1.153 58 P CA 1.017 64.118 63.100 0.001 0.000 0.777 58 P CB 0.379 32.083 31.700 0.008 0.000 0.794 59 D N -0.702 119.697 120.400 -0.001 0.000 2.349 59 D HA 0.011 4.690 4.640 0.065 0.000 0.215 59 D C 0.311 176.600 176.300 -0.018 0.000 1.016 59 D CA 0.648 54.644 54.000 -0.007 0.000 0.870 59 D CB -0.412 40.392 40.800 0.006 0.000 0.917 59 D HN 0.104 nan 8.370 nan 0.000 0.524 60 T N 1.748 116.288 114.554 -0.023 0.000 2.737 60 T HA 0.381 4.770 4.350 0.065 0.000 0.296 60 T C 0.496 175.152 174.700 -0.074 0.000 0.922 60 T CA -0.164 61.907 62.100 -0.048 0.000 1.079 60 T CB 1.065 69.902 68.868 -0.052 0.000 0.892 60 T HN -0.077 nan 8.240 nan 0.000 0.514 61 R N 2.670 123.119 120.500 -0.084 0.000 2.867 61 R HA 0.693 5.072 4.340 0.065 0.000 0.268 61 R C -0.552 175.687 176.300 -0.102 0.000 1.014 61 R CA -1.040 55.003 56.100 -0.095 0.000 0.946 61 R CB 1.536 31.788 30.300 -0.080 0.000 1.208 61 R HN 0.772 nan 8.270 nan 0.000 0.477 62 N N -1.836 116.805 118.700 -0.099 0.000 3.020 62 N HA 0.007 4.785 4.740 0.065 0.000 0.248 62 N C -0.083 175.378 175.510 -0.082 0.000 1.480 62 N CA -0.906 52.097 53.050 -0.077 0.000 0.874 62 N CB 0.722 39.193 38.487 -0.026 0.000 1.433 62 N HN 0.621 nan 8.380 nan 0.000 0.530 63 E N -0.308 119.858 120.200 -0.057 0.000 2.118 63 E HA -0.262 4.127 4.350 0.065 0.000 0.195 63 E C 1.059 177.584 176.600 -0.125 0.000 0.992 63 E CA 1.435 57.796 56.400 -0.065 0.000 0.804 63 E CB 0.087 29.775 29.700 -0.020 0.000 0.741 63 E HN 0.484 nan 8.360 nan 0.000 0.458 64 K N 0.719 121.007 120.400 -0.186 0.000 2.031 64 K HA -0.072 4.287 4.320 0.065 0.000 0.205 64 K C 2.086 178.512 176.600 -0.290 0.000 1.049 64 K CA 1.146 57.225 56.287 -0.348 0.000 0.939 64 K CB -0.456 31.664 32.500 -0.634 0.000 0.717 64 K HN 0.176 nan 8.250 nan 0.000 0.438 65 L N 0.974 122.043 121.223 -0.258 0.000 2.079 65 L HA -0.223 4.156 4.340 0.065 0.000 0.210 65 L C 1.860 178.608 176.870 -0.203 0.000 1.081 65 L CA 1.280 55.941 54.840 -0.299 0.000 0.752 65 L CB -0.581 41.300 42.059 -0.297 0.000 0.896 65 L HN 0.272 nan 8.230 nan 0.000 0.433 66 N N -0.354 118.254 118.700 -0.153 0.000 2.142 66 N HA -0.154 4.625 4.740 0.065 0.000 0.186 66 N C 2.045 177.491 175.510 -0.106 0.000 1.023 66 N CA 1.683 54.666 53.050 -0.111 0.000 0.852 66 N CB -0.460 37.976 38.487 -0.085 0.000 0.998 66 N HN 0.362 nan 8.380 nan 0.000 0.424 67 S N 0.438 116.065 115.700 -0.123 0.000 2.474 67 S HA 0.023 4.532 4.470 0.065 0.000 0.235 67 S C 1.795 176.328 174.600 -0.111 0.000 0.997 67 S CA 0.399 58.535 58.200 -0.108 0.000 0.949 67 S CB -0.502 62.625 63.200 -0.121 0.000 0.766 67 S HN 0.242 nan 8.310 nan 0.000 0.517 68 L N 0.733 121.875 121.223 -0.135 0.000 2.552 68 L HA 0.185 4.564 4.340 0.065 0.000 0.227 68 L C 2.586 179.406 176.870 -0.084 0.000 1.146 68 L CA 0.540 55.309 54.840 -0.118 0.000 0.858 68 L CB -0.404 41.567 42.059 -0.147 0.000 0.969 68 L HN 0.257 nan 8.230 nan 0.000 0.451 69 E N 1.008 121.162 120.200 -0.076 0.000 2.209 69 E HA -0.248 4.141 4.350 0.065 0.000 0.196 69 E C 1.709 178.284 176.600 -0.040 0.000 0.993 69 E CA 1.401 57.769 56.400 -0.053 0.000 0.819 69 E CB -0.060 29.612 29.700 -0.046 0.000 0.745 69 E HN 0.577 nan 8.360 nan 0.000 0.477 70 D N -0.515 119.859 120.400 -0.043 0.000 2.218 70 D HA -0.153 4.526 4.640 0.065 0.000 0.204 70 D C 1.668 177.949 176.300 -0.032 0.000 0.976 70 D CA 1.696 55.675 54.000 -0.035 0.000 0.853 70 D CB -0.377 40.402 40.800 -0.035 0.000 0.939 70 D HN 0.310 nan 8.370 nan 0.000 0.481 71 V N -3.468 116.425 119.914 -0.036 0.000 3.605 71 V HA 0.316 4.475 4.120 0.065 0.000 0.284 71 V C 0.858 176.939 176.094 -0.021 0.000 1.386 71 V CA -0.664 61.619 62.300 -0.028 0.000 1.053 71 V CB -0.452 31.353 31.823 -0.029 0.000 0.857 71 V HN -0.157 nan 8.190 nan 0.000 0.436 72 R N 2.045 122.531 120.500 -0.022 0.000 2.489 72 R HA 0.404 4.783 4.340 0.065 0.000 0.287 72 R C -0.330 175.965 176.300 -0.007 0.000 1.053 72 R CA 0.066 56.161 56.100 -0.008 0.000 1.036 72 R CB 0.629 30.924 30.300 -0.008 0.000 0.966 72 R HN 0.311 nan 8.270 nan 0.000 0.432 73 K N 1.342 121.742 120.400 -0.000 0.000 2.413 73 K HA 0.321 4.680 4.320 0.065 0.000 0.257 73 K C -0.052 176.558 176.600 0.017 0.000 0.946 73 K CA -0.349 55.925 56.287 -0.021 0.000 0.823 73 K CB 1.773 34.246 32.500 -0.045 0.000 1.109 73 K HN 0.657 nan 8.250 nan 0.000 0.427 74 G N 0.789 109.619 108.800 0.050 0.000 2.485 74 G HA2 0.289 4.288 3.960 0.065 0.000 0.260 74 G HA3 0.289 4.288 3.960 0.065 0.000 0.260 74 G C 0.215 175.221 174.900 0.177 0.000 1.459 74 G CA 0.258 45.445 45.100 0.145 0.000 1.060 74 G HN 0.815 nan 8.290 nan 0.000 0.546 75 S N -2.803 113.087 115.700 0.317 0.000 2.323 75 S HA 0.091 4.600 4.470 0.065 0.000 0.233 75 S C 0.184 174.949 174.600 0.276 0.000 0.898 75 S CA -0.091 58.285 58.200 0.294 0.000 1.321 75 S CB -0.038 63.248 63.200 0.142 0.000 0.921 75 S HN 0.509 nan 8.310 nan 0.000 0.398 76 E N 2.992 123.274 120.200 0.137 0.000 2.384 76 E HA 0.349 4.738 4.350 0.065 0.000 0.266 76 E C -0.223 176.275 176.600 -0.169 0.000 1.012 76 E CA 0.055 56.458 56.400 0.006 0.000 0.901 76 E CB 0.090 29.788 29.700 -0.003 0.000 0.967 76 E HN 0.367 nan 8.360 nan 0.000 0.435 77 N N 0.571 119.191 118.700 -0.134 0.000 2.828 77 N HA -0.213 4.566 4.740 0.065 0.000 0.248 77 N C -1.175 174.184 175.510 -0.252 0.000 1.044 77 N CA 1.200 54.126 53.050 -0.207 0.000 0.851 77 N CB -1.344 36.969 38.487 -0.289 0.000 1.136 77 N HN 0.390 nan 8.380 nan 0.000 0.572 78 Y N 0.476 120.782 120.300 0.009 0.000 2.387 78 Y HA 0.645 5.234 4.550 0.066 0.000 0.330 78 Y C 0.900 176.803 175.900 0.004 0.000 1.133 78 Y CA -0.699 57.405 58.100 0.007 0.000 1.152 78 Y CB 1.083 39.547 38.460 0.007 0.000 1.215 78 Y HN 0.116 nan 8.280 nan 0.000 0.466 79 A N 2.654 125.588 122.820 0.189 0.000 2.371 79 A HA 0.419 4.778 4.320 0.065 0.000 0.257 79 A C -0.719 176.913 177.584 0.081 0.000 1.089 79 A CA -0.510 51.587 52.037 0.101 0.000 0.794 79 A CB 0.101 19.148 19.000 0.078 0.000 1.029 79 A HN 0.717 nan 8.150 nan 0.000 0.488 80 L N 2.752 124.003 121.223 0.047 0.000 2.410 80 L HA 0.540 4.919 4.340 0.065 0.000 0.273 80 L C 0.601 177.479 176.870 0.013 0.000 1.152 80 L CA 1.137 55.991 54.840 0.024 0.000 0.855 80 L CB 0.574 42.638 42.059 0.009 0.000 1.129 80 L HN 0.913 nan 8.230 nan 0.000 0.463 81 T N 0.303 114.859 114.554 0.003 0.000 2.883 81 T HA 0.625 5.014 4.350 0.065 0.000 0.296 81 T C 0.129 174.829 174.700 -0.000 0.000 1.117 81 T CA -0.207 61.897 62.100 0.007 0.000 1.006 81 T CB 1.015 69.890 68.868 0.011 0.000 1.191 81 T HN 0.838 nan 8.240 nan 0.000 0.508 82 T N 0.444 115.011 114.554 0.022 0.000 2.701 82 T HA 0.195 4.584 4.350 0.065 0.000 0.303 82 T C 1.075 175.791 174.700 0.027 0.000 1.030 82 T CA -0.419 61.702 62.100 0.035 0.000 1.010 82 T CB -0.060 68.874 68.868 0.109 0.000 1.007 82 T HN 0.569 nan 8.240 nan 0.000 0.532 83 N N 0.520 119.238 118.700 0.030 0.000 2.453 83 N HA -0.068 4.711 4.740 0.065 0.000 0.183 83 N C 1.575 177.105 175.510 0.033 0.000 1.041 83 N CA 0.584 53.645 53.050 0.018 0.000 0.900 83 N CB -0.175 38.331 38.487 0.032 0.000 0.961 83 N HN 0.553 nan 8.380 nan 0.000 0.443 84 Q N -0.546 119.289 119.800 0.058 0.000 2.360 84 Q HA 0.186 4.565 4.340 0.065 0.000 0.202 84 Q C 0.815 176.840 176.000 0.042 0.000 0.915 84 Q CA 0.196 56.030 55.803 0.051 0.000 0.943 84 Q CB 0.383 29.161 28.738 0.066 0.000 1.064 84 Q HN 0.408 nan 8.270 nan 0.000 0.511 85 G N 0.290 109.112 108.800 0.038 0.000 2.131 85 G HA2 -0.223 3.776 3.960 0.065 0.000 0.223 85 G HA3 -0.223 3.776 3.960 0.065 0.000 0.223 85 G C 0.007 174.933 174.900 0.044 0.000 0.990 85 G CA 0.083 45.200 45.100 0.027 0.000 0.671 85 G HN 0.207 nan 8.290 nan 0.000 0.521 86 V N 1.787 121.744 119.914 0.071 0.000 2.406 86 V HA 0.364 4.523 4.120 0.065 0.000 0.272 86 V C 1.303 177.438 176.094 0.068 0.000 1.043 86 V CA -0.626 61.729 62.300 0.092 0.000 0.915 86 V CB 1.042 32.969 31.823 0.174 0.000 0.988 86 V HN 0.409 nan 8.190 nan 0.000 0.466 87 R N 4.474 125.006 120.500 0.054 0.000 2.570 87 R HA 0.285 4.664 4.340 0.065 0.000 0.277 87 R C -0.468 175.847 176.300 0.024 0.000 1.039 87 R CA 0.090 56.212 56.100 0.036 0.000 1.065 87 R CB 0.408 30.729 30.300 0.035 0.000 0.964 87 R HN 0.576 nan 8.270 nan 0.000 0.428 88 I N 2.083 122.655 120.570 0.002 0.000 2.353 88 I HA 0.122 4.331 4.170 0.065 0.000 0.293 88 I C 0.971 177.077 176.117 -0.017 0.000 0.992 88 I CA 0.028 61.314 61.300 -0.025 0.000 1.268 88 I CB 1.884 39.857 38.000 -0.045 0.000 1.387 88 I HN 0.769 nan 8.210 nan 0.000 0.478 89 A N 3.965 126.771 122.820 -0.022 0.000 1.911 89 A HA 0.021 4.380 4.320 0.065 0.000 0.212 89 A C 0.650 178.219 177.584 -0.025 0.000 1.189 89 A CA 0.888 52.915 52.037 -0.016 0.000 0.639 89 A CB 0.062 19.055 19.000 -0.011 0.000 0.839 89 A HN 0.679 nan 8.150 nan 0.000 0.449 90 D N -0.566 119.811 120.400 -0.038 0.000 2.440 90 D HA 0.333 5.012 4.640 0.065 0.000 0.252 90 D C -1.252 175.016 176.300 -0.054 0.000 1.180 90 D CA -0.360 53.616 54.000 -0.041 0.000 0.894 90 D CB 1.179 41.956 40.800 -0.039 0.000 1.111 90 D HN 0.066 nan 8.370 nan 0.000 0.544 91 D N 1.947 122.318 120.400 -0.048 0.000 2.358 91 D HA 0.038 4.717 4.640 0.065 0.000 0.224 91 D C 0.661 176.928 176.300 -0.054 0.000 1.123 91 D CA 0.293 54.260 54.000 -0.055 0.000 0.833 91 D CB 0.512 41.284 40.800 -0.047 0.000 0.946 91 D HN 0.237 nan 8.370 nan 0.000 0.505 92 Q N -0.600 119.170 119.800 -0.050 0.000 2.281 92 Q HA 0.263 4.641 4.340 0.065 0.000 0.215 92 Q C -0.151 175.819 176.000 -0.050 0.000 0.867 92 Q CA 0.184 55.958 55.803 -0.047 0.000 0.940 92 Q CB 0.778 29.493 28.738 -0.038 0.000 1.111 92 Q HN 0.195 nan 8.270 nan 0.000 0.513 93 N N 0.022 118.690 118.700 -0.053 0.000 2.331 93 N HA 0.277 5.056 4.740 0.065 0.000 0.280 93 N C -1.061 174.415 175.510 -0.057 0.000 1.155 93 N CA -0.262 52.758 53.050 -0.049 0.000 0.822 93 N CB 2.098 40.561 38.487 -0.040 0.000 1.619 93 N HN -0.181 nan 8.380 nan 0.000 0.476 94 S N 0.809 116.478 115.700 -0.051 0.000 2.592 94 S HA 0.246 4.755 4.470 0.065 0.000 0.271 94 S C 0.207 174.782 174.600 -0.041 0.000 1.326 94 S CA -0.545 57.624 58.200 -0.050 0.000 1.024 94 S CB 0.670 63.846 63.200 -0.039 0.000 0.921 94 S HN 0.384 nan 8.310 nan 0.000 0.527 95 L N 4.074 125.272 121.223 -0.041 0.000 2.361 95 L HA 0.373 4.752 4.340 0.065 0.000 0.278 95 L C 0.171 177.034 176.870 -0.012 0.000 1.113 95 L CA 0.491 55.316 54.840 -0.025 0.000 0.849 95 L CB -0.149 41.899 42.059 -0.019 0.000 1.155 95 L HN 0.719 nan 8.230 nan 0.000 0.452 96 R N 4.206 124.701 120.500 -0.009 0.000 2.836 96 R HA 0.872 5.251 4.340 0.065 0.000 0.269 96 R C -1.189 175.111 176.300 -0.000 0.000 1.010 96 R CA -0.886 55.211 56.100 -0.004 0.000 0.930 96 R CB 1.125 31.421 30.300 -0.008 0.000 1.218 96 R HN 0.571 nan 8.270 nan 0.000 0.473 97 A N 1.244 124.065 122.820 0.002 0.000 2.506 97 A HA 0.598 4.957 4.320 0.065 0.000 0.320 97 A C 0.590 178.174 177.584 0.001 0.000 1.424 97 A CA 0.220 52.258 52.037 0.003 0.000 1.044 97 A CB -0.722 18.281 19.000 0.005 0.000 1.140 97 A HN 1.214 nan 8.150 nan 0.000 0.538 98 G N 1.394 110.194 108.800 -0.000 0.000 2.716 98 G HA2 -0.003 3.995 3.960 0.065 0.000 0.686 98 G HA3 -0.003 3.995 3.960 0.065 0.000 0.686 98 G C 0.723 175.620 174.900 -0.005 0.000 1.337 98 G CA 0.136 45.235 45.100 -0.002 0.000 0.829 98 G HN 1.898 nan 8.290 nan 0.000 0.599 99 S N -0.248 115.448 115.700 -0.006 0.000 2.515 99 S HA 0.006 4.515 4.470 0.065 0.000 0.231 99 S C 1.528 176.122 174.600 -0.009 0.000 0.987 99 S CA 1.356 59.551 58.200 -0.008 0.000 0.936 99 S CB 0.085 63.280 63.200 -0.009 0.000 0.766 99 S HN 0.747 nan 8.310 nan 0.000 0.528 100 R N 0.990 121.486 120.500 -0.007 0.000 2.586 100 R HA 0.346 4.725 4.340 0.065 0.000 0.336 100 R C 0.855 177.152 176.300 -0.006 0.000 1.060 100 R CA 0.009 56.105 56.100 -0.007 0.000 1.079 100 R CB 0.711 31.007 30.300 -0.006 0.000 1.317 100 R HN 0.446 nan 8.270 nan 0.000 0.568 101 G N 1.569 110.366 108.800 -0.005 0.000 2.613 101 G HA2 0.411 4.410 3.960 0.065 0.000 0.303 101 G HA3 0.411 4.410 3.960 0.065 0.000 0.303 101 G C -2.453 172.445 174.900 -0.003 0.000 1.312 101 G CA -1.153 43.945 45.100 -0.003 0.000 1.036 101 G HN -0.102 nan 8.290 nan 0.000 0.513 102 P HA 0.246 nan 4.420 nan 0.000 0.277 102 P C -0.211 177.089 177.300 -0.000 0.000 1.240 102 P CA -0.118 62.982 63.100 -0.000 0.000 0.798 102 P CB 0.931 32.633 31.700 0.003 0.000 0.979 103 T N 2.398 116.951 114.554 -0.001 0.000 2.919 103 T HA 0.270 4.659 4.350 0.065 0.000 0.302 103 T C 0.476 175.179 174.700 0.006 0.000 1.031 103 T CA -0.099 62.000 62.100 -0.001 0.000 1.127 103 T CB -0.033 68.832 68.868 -0.005 0.000 0.952 103 T HN 0.176 nan 8.240 nan 0.000 0.540 104 L N 3.409 124.638 121.223 0.010 0.000 2.343 104 L HA 0.352 4.731 4.340 0.065 0.000 0.275 104 L C 1.393 178.280 176.870 0.029 0.000 1.056 104 L CA -0.808 54.044 54.840 0.020 0.000 0.804 104 L CB 0.821 42.894 42.059 0.024 0.000 1.203 104 L HN 0.499 nan 8.230 nan 0.000 0.440 105 L N 1.948 123.192 121.223 0.035 0.000 2.201 105 L HA -0.165 4.214 4.340 0.065 0.000 0.212 105 L C 2.259 179.170 176.870 0.068 0.000 1.105 105 L CA 1.566 56.433 54.840 0.045 0.000 0.775 105 L CB -0.580 41.502 42.059 0.039 0.000 0.913 105 L HN 0.797 nan 8.230 nan 0.000 0.440 106 E N -1.529 118.715 120.200 0.074 0.000 2.516 106 E HA -0.167 4.222 4.350 0.065 0.000 0.199 106 E C 0.182 176.889 176.600 0.178 0.000 1.069 106 E CA 0.179 56.651 56.400 0.120 0.000 0.876 106 E CB -0.513 29.249 29.700 0.103 0.000 0.843 106 E HN 0.366 nan 8.360 nan 0.000 0.530 107 D N 1.246 121.704 120.400 0.097 0.000 2.441 107 D HA -0.053 4.626 4.640 0.065 0.000 0.243 107 D C 0.410 176.726 176.300 0.027 0.000 1.257 107 D CA -0.419 53.594 54.000 0.021 0.000 1.027 107 D CB -0.170 40.612 40.800 -0.030 0.000 1.084 107 D HN 0.313 nan 8.370 nan 0.000 0.514 108 F N 1.980 121.938 119.950 0.014 0.000 2.456 108 F HA 0.108 4.674 4.527 0.064 0.000 0.298 108 F C 1.641 177.453 175.800 0.021 0.000 1.104 108 F CA 0.005 58.017 58.000 0.020 0.000 1.435 108 F CB -0.635 38.376 39.000 0.018 0.000 1.078 108 F HN 0.167 nan 8.300 nan 0.000 0.546 109 I N 0.534 120.638 120.570 -0.777 0.000 2.163 109 I HA -0.233 3.976 4.170 0.065 0.000 0.240 109 I C 2.525 178.524 176.117 -0.197 0.000 1.081 109 I CA 1.244 62.239 61.300 -0.510 0.000 1.353 109 I CB -0.594 37.050 38.000 -0.594 0.000 1.054 109 I HN 0.278 nan 8.210 nan 0.000 0.407 110 L N 1.112 122.237 121.223 -0.163 0.000 1.990 110 L HA -0.236 4.143 4.340 0.065 0.000 0.213 110 L C 2.660 179.517 176.870 -0.020 0.000 1.072 110 L CA 1.929 56.722 54.840 -0.079 0.000 0.755 110 L CB -0.571 41.450 42.059 -0.064 0.000 0.889 110 L HN 0.064 nan 8.230 nan 0.000 0.432 111 R N -0.665 119.841 120.500 0.010 0.000 2.096 111 R HA -0.176 4.203 4.340 0.065 0.000 0.235 111 R C 2.326 178.681 176.300 0.091 0.000 1.127 111 R CA 1.512 57.648 56.100 0.062 0.000 0.968 111 R CB -0.422 29.930 30.300 0.086 0.000 0.861 111 R HN 0.585 nan 8.270 nan 0.000 0.440 112 E N 1.170 121.427 120.200 0.095 0.000 2.058 112 E HA -0.255 4.134 4.350 0.065 0.000 0.194 112 E C 1.956 178.631 176.600 0.125 0.000 0.997 112 E CA 1.373 57.847 56.400 0.122 0.000 0.801 112 E CB 0.096 29.870 29.700 0.123 0.000 0.746 112 E HN 0.163 nan 8.360 nan 0.000 0.450 113 K N 0.204 120.646 120.400 0.070 0.000 2.025 113 K HA -0.135 4.224 4.320 0.065 0.000 0.207 113 K C 2.146 178.819 176.600 0.123 0.000 1.049 113 K CA 1.235 57.563 56.287 0.068 0.000 0.933 113 K CB -0.027 32.471 32.500 -0.004 0.000 0.714 113 K HN 0.124 nan 8.250 nan 0.000 0.438 114 I N 1.515 122.139 120.570 0.090 0.000 2.252 114 I HA -0.194 4.015 4.170 0.065 0.000 0.245 114 I C 2.154 178.383 176.117 0.187 0.000 1.102 114 I CA 1.382 62.758 61.300 0.126 0.000 1.385 114 I CB -1.477 36.561 38.000 0.062 0.000 1.064 114 I HN 0.247 nan 8.210 nan 0.000 0.414 115 T N -0.299 114.354 114.554 0.165 0.000 2.684 115 T HA -0.227 4.162 4.350 0.065 0.000 0.267 115 T C 1.961 176.794 174.700 0.221 0.000 1.036 115 T CA 1.429 63.645 62.100 0.194 0.000 1.148 115 T CB -0.450 68.541 68.868 0.205 0.000 0.863 115 T HN 0.342 nan 8.240 nan 0.000 0.436 116 H N -0.058 119.104 119.070 0.154 0.000 2.321 116 H HA -0.085 4.511 4.556 0.065 0.000 0.300 116 H C 2.191 177.573 175.328 0.090 0.000 1.087 116 H CA 1.691 57.814 56.048 0.125 0.000 1.319 116 H CB -0.453 29.363 29.762 0.091 0.000 1.379 116 H HN 0.398 nan 8.280 nan 0.000 0.501 117 F N 2.007 122.014 119.950 0.094 0.000 2.126 117 F HA -0.189 4.378 4.527 0.066 0.000 0.299 117 F C 1.954 177.696 175.800 -0.097 0.000 1.096 117 F CA 1.680 59.685 58.000 0.009 0.000 1.255 117 F CB -0.326 38.673 39.000 -0.001 0.000 0.997 117 F HN 0.051 nan 8.300 nan 0.000 0.479 118 D N -1.182 119.100 120.400 -0.197 0.000 2.310 118 D HA -0.123 4.556 4.640 0.065 0.000 0.212 118 D C 1.120 176.988 176.300 -0.721 0.000 0.965 118 D CA 1.118 54.840 54.000 -0.463 0.000 0.879 118 D CB -0.323 40.208 40.800 -0.447 0.000 0.921 118 D HN 0.495 nan 8.370 nan 0.000 0.510 119 H N -0.592 118.351 119.070 -0.212 0.000 2.510 119 H HA 0.229 4.825 4.556 0.066 0.000 0.266 119 H C 0.986 176.150 175.328 -0.273 0.000 1.146 119 H CA -0.123 55.802 56.048 -0.206 0.000 0.993 119 H CB 0.536 30.199 29.762 -0.166 0.000 1.727 119 H HN 0.249 nan 8.280 nan 0.000 0.590 120 E N 0.766 120.798 120.200 -0.281 0.000 2.106 120 E HA -0.042 4.347 4.350 0.065 0.000 0.192 120 E C 0.510 176.948 176.600 -0.271 0.000 0.984 120 E CA 0.576 56.784 56.400 -0.320 0.000 0.806 120 E CB 0.441 29.930 29.700 -0.352 0.000 0.750 120 E HN 0.164 nan 8.360 nan 0.000 0.458 121 R N 1.305 121.709 120.500 -0.160 0.000 2.410 121 R HA 0.325 4.704 4.340 0.065 0.000 0.288 121 R C 0.473 176.812 176.300 0.064 0.000 1.051 121 R CA -0.184 55.898 56.100 -0.031 0.000 1.021 121 R CB 0.661 30.939 30.300 -0.037 0.000 1.032 121 R HN 0.178 nan 8.270 nan 0.000 0.481 122 I N -0.835 119.841 120.570 0.177 0.000 3.023 122 I HA 0.602 4.811 4.170 0.065 0.000 0.312 122 I C -2.207 173.977 176.117 0.110 0.000 1.056 122 I CA -2.991 58.401 61.300 0.154 0.000 1.033 122 I CB 1.699 39.823 38.000 0.207 0.000 1.233 122 I HN 0.239 nan 8.210 nan 0.000 0.462 123 P HA 0.121 nan 4.420 nan 0.000 0.268 123 P C -0.953 176.379 177.300 0.054 0.000 1.204 123 P CA -0.133 62.997 63.100 0.051 0.000 0.768 123 P CB 0.467 32.186 31.700 0.031 0.000 0.842 124 E N 2.848 123.082 120.200 0.058 0.000 2.392 124 E HA 0.164 4.553 4.350 0.065 0.000 0.256 124 E C -0.478 176.149 176.600 0.045 0.000 1.145 124 E CA -0.800 55.638 56.400 0.063 0.000 0.929 124 E CB 0.612 30.356 29.700 0.074 0.000 0.998 124 E HN 0.257 nan 8.360 nan 0.000 0.442 125 R N 0.998 121.530 120.500 0.054 0.000 2.585 125 R HA -0.021 4.358 4.340 0.065 0.000 0.275 125 R C 1.286 177.621 176.300 0.058 0.000 1.018 125 R CA -0.411 55.717 56.100 0.048 0.000 1.072 125 R CB 0.242 30.590 30.300 0.079 0.000 0.953 125 R HN 0.576 nan 8.270 nan 0.000 0.419 126 I N 2.124 122.722 120.570 0.046 0.000 2.208 126 I HA -0.157 4.052 4.170 0.065 0.000 0.245 126 I C 1.248 177.419 176.117 0.091 0.000 1.097 126 I CA 1.545 62.882 61.300 0.063 0.000 1.363 126 I CB -1.156 36.885 38.000 0.069 0.000 1.051 126 I HN 0.398 nan 8.210 nan 0.000 0.413 127 V N -3.261 116.741 119.914 0.147 0.000 3.001 127 V HA 0.515 4.674 4.120 0.065 0.000 0.314 127 V C 0.460 176.733 176.094 0.299 0.000 1.099 127 V CA -0.838 61.580 62.300 0.196 0.000 0.989 127 V CB 1.761 33.772 31.823 0.314 0.000 1.040 127 V HN 0.444 nan 8.190 nan 0.000 0.434 128 H N 0.477 119.611 119.070 0.106 0.000 2.862 128 H HA -0.220 4.376 4.556 0.065 0.000 0.290 128 H C 1.531 176.905 175.328 0.077 0.000 1.211 128 H CA 0.781 56.884 56.048 0.091 0.000 1.140 128 H CB -1.222 28.583 29.762 0.071 0.000 1.341 128 H HN 1.158 nan 8.280 nan 0.000 0.392 129 A N 0.727 123.639 122.820 0.154 0.000 2.070 129 A HA -0.088 4.271 4.320 0.065 0.000 0.220 129 A C 1.654 179.328 177.584 0.150 0.000 1.159 129 A CA 1.221 53.337 52.037 0.131 0.000 0.656 129 A CB -0.069 18.988 19.000 0.095 0.000 0.800 129 A HN 0.275 nan 8.150 nan 0.000 0.453 130 R N 0.039 120.630 120.500 0.151 0.000 2.207 130 R HA 0.529 4.908 4.340 0.065 0.000 0.334 130 R C -0.120 176.307 176.300 0.212 0.000 1.013 130 R CA 0.701 56.910 56.100 0.180 0.000 0.858 130 R CB 0.470 30.863 30.300 0.155 0.000 1.094 130 R HN 0.305 nan 8.270 nan 0.000 0.457 131 G N 0.723 109.673 108.800 0.250 0.000 2.646 131 G HA2 0.512 4.511 3.960 0.065 0.000 0.291 131 G HA3 0.512 4.511 3.960 0.065 0.000 0.291 131 G C -1.629 173.421 174.900 0.249 0.000 1.445 131 G CA -0.589 44.620 45.100 0.181 0.000 0.814 131 G HN 0.504 nan 8.290 nan 0.000 0.495 132 S N -1.138 114.644 115.700 0.138 0.000 2.547 132 S HA 0.888 5.397 4.470 0.065 0.000 0.281 132 S C -0.250 174.347 174.600 -0.004 0.000 1.118 132 S CA -0.060 58.285 58.200 0.241 0.000 0.947 132 S CB 1.732 65.181 63.200 0.415 0.000 1.053 132 S HN 1.652 nan 8.310 nan 0.000 0.482 133 A N 1.543 124.333 122.820 -0.051 0.000 2.515 133 A HA 1.030 5.389 4.320 0.065 0.000 0.296 133 A C -0.946 176.431 177.584 -0.345 0.000 1.094 133 A CA -0.643 51.139 52.037 -0.426 0.000 0.718 133 A CB 1.628 20.237 19.000 -0.652 0.000 1.307 133 A HN 1.342 nan 8.150 nan 0.000 0.408 134 A N 0.566 123.023 122.820 -0.605 0.000 2.609 134 A HA 0.747 5.106 4.320 0.065 0.000 0.291 134 A C -1.066 176.288 177.584 -0.384 0.000 1.096 134 A CA -0.666 51.173 52.037 -0.330 0.000 0.684 134 A CB 0.750 19.652 19.000 -0.162 0.000 1.282 134 A HN 0.887 nan 8.150 nan 0.000 0.412 135 H N -0.426 118.659 119.070 0.025 0.000 2.488 135 H HA 0.686 5.281 4.556 0.065 0.000 0.347 135 H C 0.606 175.926 175.328 -0.013 0.000 1.174 135 H CA 0.783 56.899 56.048 0.114 0.000 1.307 135 H CB 1.791 31.621 29.762 0.114 0.000 1.517 135 H HN 1.157 nan 8.280 nan 0.000 0.554 136 G N 0.420 109.313 108.800 0.155 0.000 2.500 136 G HA2 0.348 4.347 3.960 0.065 0.000 0.299 136 G HA3 0.348 4.347 3.960 0.065 0.000 0.299 136 G C -2.069 172.956 174.900 0.208 0.000 1.242 136 G CA -0.647 44.506 45.100 0.087 0.000 0.859 136 G HN 0.636 nan 8.290 nan 0.000 0.481 137 Y N -1.811 118.526 120.300 0.062 0.000 2.625 137 Y HA 0.850 5.439 4.550 0.064 0.000 0.338 137 Y C -1.668 174.372 175.900 0.234 0.000 1.123 137 Y CA -1.947 56.236 58.100 0.138 0.000 1.046 137 Y CB 1.941 40.456 38.460 0.091 0.000 1.299 137 Y HN 0.874 nan 8.280 nan 0.000 0.464 138 F N 2.640 122.725 119.950 0.225 0.000 2.576 138 F HA 0.666 5.232 4.527 0.066 0.000 0.313 138 F C -1.555 174.440 175.800 0.325 0.000 1.078 138 F CA -0.546 57.592 58.000 0.230 0.000 0.921 138 F CB 2.218 41.481 39.000 0.439 0.000 1.232 138 F HN 0.800 nan 8.300 nan 0.000 0.459 139 Q N 5.317 124.623 119.800 -0.823 0.000 2.377 139 Q HA 0.594 4.973 4.340 0.065 0.000 0.279 139 Q C -3.319 172.027 176.000 -1.091 0.000 1.049 139 Q CA -2.279 53.127 55.803 -0.661 0.000 0.825 139 Q CB 2.854 31.512 28.738 -0.133 0.000 1.401 139 Q HN 0.324 nan 8.270 nan 0.000 0.404 140 P HA 0.089 nan 4.420 nan 0.000 0.276 140 P C -0.423 176.739 177.300 -0.230 0.000 1.252 140 P CA -0.234 62.615 63.100 -0.417 0.000 0.802 140 P CB 0.812 32.439 31.700 -0.122 0.000 1.035 141 Y N 0.250 120.492 120.300 -0.097 0.000 2.365 141 Y HA -0.012 4.577 4.550 0.066 0.000 0.293 141 Y C 1.462 177.336 175.900 -0.043 0.000 1.119 141 Y CA 0.444 58.508 58.100 -0.060 0.000 1.203 141 Y CB 0.349 38.781 38.460 -0.046 0.000 1.026 141 Y HN 0.351 nan 8.280 nan 0.000 0.549 142 K N -0.899 119.569 120.400 0.113 0.000 2.555 142 K HA 0.386 4.745 4.320 0.065 0.000 0.279 142 K C -0.866 175.743 176.600 0.014 0.000 0.986 142 K CA -0.932 55.388 56.287 0.055 0.000 0.880 142 K CB 1.624 34.156 32.500 0.053 0.000 1.474 142 K HN -0.218 nan 8.250 nan 0.000 0.433 143 S N 0.984 116.688 115.700 0.007 0.000 2.549 143 S HA 0.109 4.618 4.470 0.065 0.000 0.286 143 S C 0.413 175.003 174.600 -0.016 0.000 1.314 143 S CA -0.542 57.652 58.200 -0.010 0.000 1.062 143 S CB -0.152 63.045 63.200 -0.005 0.000 0.865 143 S HN 0.561 nan 8.310 nan 0.000 0.498 144 L N 4.611 125.814 121.223 -0.035 0.000 2.928 144 L HA 0.150 4.528 4.340 0.065 0.000 0.246 144 L C 1.878 178.731 176.870 -0.027 0.000 1.239 144 L CA -0.114 54.711 54.840 -0.024 0.000 1.035 144 L CB -0.170 41.879 42.059 -0.018 0.000 1.360 144 L HN 0.844 nan 8.230 nan 0.000 0.529 145 S N -2.130 113.553 115.700 -0.029 0.000 2.469 145 S HA -0.151 4.358 4.470 0.065 0.000 0.238 145 S C 1.253 175.836 174.600 -0.028 0.000 0.998 145 S CA 0.773 58.954 58.200 -0.032 0.000 0.957 145 S CB -0.135 63.051 63.200 -0.024 0.000 0.764 145 S HN 0.393 nan 8.310 nan 0.000 0.514 146 D N 2.089 122.477 120.400 -0.020 0.000 2.219 146 D HA 0.028 4.707 4.640 0.065 0.000 0.205 146 D C 1.807 178.090 176.300 -0.028 0.000 0.970 146 D CA 1.292 55.280 54.000 -0.019 0.000 0.851 146 D CB -0.103 40.691 40.800 -0.010 0.000 0.943 146 D HN 0.767 nan 8.370 nan 0.000 0.488 147 I N -3.987 116.567 120.570 -0.027 0.000 4.323 147 I HA 0.216 4.425 4.170 0.065 0.000 0.328 147 I C 0.400 176.474 176.117 -0.071 0.000 1.310 147 I CA 0.023 61.298 61.300 -0.042 0.000 1.186 147 I CB 1.178 39.173 38.000 -0.008 0.000 1.130 147 I HN -0.264 nan 8.210 nan 0.000 0.411 148 T N 1.846 116.361 114.554 -0.066 0.000 3.105 148 T HA 0.295 4.684 4.350 0.065 0.000 0.321 148 T C 0.068 174.713 174.700 -0.092 0.000 1.135 148 T CA -0.722 61.320 62.100 -0.097 0.000 1.053 148 T CB 1.665 70.462 68.868 -0.118 0.000 1.133 148 T HN 0.421 nan 8.240 nan 0.000 0.463 149 K N 2.726 123.072 120.400 -0.090 0.000 2.505 149 K HA 0.501 4.860 4.320 0.065 0.000 0.192 149 K C 0.784 177.344 176.600 -0.067 0.000 1.025 149 K CA -0.278 55.968 56.287 -0.069 0.000 1.086 149 K CB 0.131 32.597 32.500 -0.056 0.000 0.840 149 K HN 0.495 nan 8.250 nan 0.000 0.514 150 A N 2.235 124.990 122.820 -0.108 0.000 2.548 150 A HA -0.065 4.294 4.320 0.065 0.000 0.247 150 A C 0.566 178.104 177.584 -0.076 0.000 1.067 150 A CA 0.110 52.089 52.037 -0.097 0.000 0.757 150 A CB 0.118 18.993 19.000 -0.209 0.000 0.996 150 A HN 0.459 nan 8.150 nan 0.000 0.504 151 D N 2.011 122.448 120.400 0.061 0.000 2.178 151 D HA -0.187 4.492 4.640 0.065 0.000 0.202 151 D C 1.309 177.684 176.300 0.126 0.000 0.974 151 D CA 1.951 56.000 54.000 0.083 0.000 0.841 151 D CB -0.237 40.635 40.800 0.121 0.000 0.953 151 D HN 0.713 nan 8.370 nan 0.000 0.478 152 F N -0.711 119.265 119.950 0.043 0.000 2.641 152 F HA 0.176 4.742 4.527 0.066 0.000 0.298 152 F C 0.988 176.886 175.800 0.163 0.000 1.146 152 F CA 0.353 58.422 58.000 0.114 0.000 1.464 152 F CB -0.183 38.882 39.000 0.108 0.000 1.101 152 F HN -0.060 nan 8.300 nan 0.000 0.585 153 L N 0.653 121.606 121.223 -0.450 0.000 2.857 153 L HA 0.194 4.573 4.340 0.065 0.000 0.249 153 L C 1.825 178.610 176.870 -0.141 0.000 1.172 153 L CA 0.346 54.972 54.840 -0.356 0.000 0.980 153 L CB 0.049 41.777 42.059 -0.552 0.000 1.299 153 L HN 0.323 nan 8.230 nan 0.000 0.535 154 S N -2.642 113.017 115.700 -0.070 0.000 2.503 154 S HA 0.069 4.578 4.470 0.065 0.000 0.215 154 S C 0.383 174.980 174.600 -0.004 0.000 1.003 154 S CA -0.161 58.019 58.200 -0.034 0.000 0.910 154 S CB 0.252 63.445 63.200 -0.012 0.000 0.790 154 S HN 0.309 nan 8.310 nan 0.000 0.514 155 D N 0.827 121.235 120.400 0.013 0.000 2.970 155 D HA 0.368 5.047 4.640 0.065 0.000 0.230 155 D C -2.577 173.738 176.300 0.024 0.000 1.276 155 D CA -1.996 52.018 54.000 0.023 0.000 0.910 155 D CB 2.276 43.098 40.800 0.037 0.000 1.590 155 D HN -0.155 nan 8.370 nan 0.000 0.551 156 P HA 0.025 nan 4.420 nan 0.000 0.233 156 P C 0.252 177.567 177.300 0.025 0.000 1.167 156 P CA 0.466 63.577 63.100 0.017 0.000 0.770 156 P CB 0.429 32.151 31.700 0.037 0.000 0.837 157 N N -0.203 118.517 118.700 0.034 0.000 2.235 157 N HA 0.077 4.855 4.740 0.065 0.000 0.209 157 N C 0.251 175.792 175.510 0.052 0.000 1.122 157 N CA 0.103 53.176 53.050 0.039 0.000 0.845 157 N CB 0.641 39.147 38.487 0.032 0.000 1.004 157 N HN 0.244 nan 8.380 nan 0.000 0.499 158 K N 1.377 121.819 120.400 0.069 0.000 2.234 158 K HA 0.404 4.763 4.320 0.065 0.000 0.277 158 K C -0.157 176.535 176.600 0.153 0.000 1.038 158 K CA -0.313 56.036 56.287 0.104 0.000 0.888 158 K CB 1.755 34.323 32.500 0.114 0.000 1.091 158 K HN -0.054 nan 8.250 nan 0.000 0.467 159 I N 2.532 123.194 120.570 0.152 0.000 2.385 159 I HA 0.154 4.363 4.170 0.065 0.000 0.294 159 I C 0.078 176.367 176.117 0.286 0.000 0.988 159 I CA -0.298 61.129 61.300 0.212 0.000 1.265 159 I CB 1.780 39.852 38.000 0.122 0.000 1.388 159 I HN 0.452 nan 8.210 nan 0.000 0.480 160 T N 7.121 121.931 114.554 0.426 0.000 2.786 160 T HA 0.354 4.743 4.350 0.065 0.000 0.283 160 T C -2.497 172.463 174.700 0.433 0.000 0.992 160 T CA -1.373 60.997 62.100 0.449 0.000 0.954 160 T CB 1.807 71.048 68.868 0.623 0.000 0.934 160 T HN 0.260 nan 8.240 nan 0.000 0.440 161 P HA 0.294 nan 4.420 nan 0.000 0.271 161 P C -0.704 176.838 177.300 0.403 0.000 1.216 161 P CA -0.410 62.882 63.100 0.321 0.000 0.776 161 P CB 0.597 32.406 31.700 0.182 0.000 0.881 162 V N 0.051 120.141 119.914 0.294 0.000 3.102 162 V HA 0.730 4.889 4.120 0.065 0.000 0.312 162 V C -1.345 174.906 176.094 0.262 0.000 1.135 162 V CA -0.975 61.403 62.300 0.129 0.000 1.022 162 V CB 2.284 33.956 31.823 -0.251 0.000 1.056 162 V HN 0.317 nan 8.190 nan 0.000 0.436 163 F N 1.787 121.724 119.950 -0.023 0.000 2.539 163 F HA 0.843 5.408 4.527 0.064 0.000 0.318 163 F C -0.869 174.823 175.800 -0.180 0.000 1.135 163 F CA -0.722 57.201 58.000 -0.130 0.000 0.915 163 F CB 1.965 40.923 39.000 -0.071 0.000 1.176 163 F HN 0.525 nan 8.300 nan 0.000 0.440 164 V N 6.535 125.954 119.914 -0.825 0.000 2.555 164 V HA 0.581 4.740 4.120 0.065 0.000 0.302 164 V C -0.632 174.779 176.094 -1.138 0.000 1.038 164 V CA -0.849 60.905 62.300 -0.909 0.000 0.887 164 V CB 1.962 33.193 31.823 -0.987 0.000 0.991 164 V HN 0.743 nan 8.190 nan 0.000 0.434 165 R N 3.176 123.010 120.500 -1.111 0.000 2.534 165 R HA 0.637 5.016 4.340 0.065 0.000 0.301 165 R C -1.601 174.065 176.300 -1.057 0.000 0.961 165 R CA -0.441 55.090 56.100 -0.949 0.000 0.871 165 R CB 1.236 31.142 30.300 -0.656 0.000 1.170 165 R HN 0.557 nan 8.270 nan 0.000 0.446 166 F N 1.771 121.288 119.950 -0.722 0.000 2.432 166 F HA 0.525 5.092 4.527 0.066 0.000 0.329 166 F C 0.433 175.871 175.800 -0.603 0.000 1.076 166 F CA -0.279 57.178 58.000 -0.904 0.000 1.018 166 F CB 2.144 40.093 39.000 -1.751 0.000 1.201 166 F HN 0.586 nan 8.300 nan 0.000 0.489 167 S N -1.051 114.578 115.700 -0.119 0.000 2.588 167 S HA 0.645 5.154 4.470 0.065 0.000 0.269 167 S C -0.595 174.158 174.600 0.255 0.000 1.157 167 S CA -0.925 57.354 58.200 0.132 0.000 0.824 167 S CB 1.369 64.693 63.200 0.207 0.000 1.126 167 S HN 0.722 nan 8.310 nan 0.000 0.464 168 T N -1.370 113.325 114.554 0.236 0.000 2.891 168 T HA 0.680 5.069 4.350 0.065 0.000 0.294 168 T C 0.817 175.491 174.700 -0.043 0.000 1.065 168 T CA -0.156 62.039 62.100 0.159 0.000 0.936 168 T CB 0.315 69.278 68.868 0.157 0.000 1.415 168 T HN 0.605 nan 8.240 nan 0.000 0.572 169 V N -0.105 119.736 119.914 -0.120 0.000 2.948 169 V HA 0.134 4.293 4.120 0.065 0.000 0.234 169 V C 2.684 178.705 176.094 -0.122 0.000 1.205 169 V CA 0.351 62.455 62.300 -0.327 0.000 1.234 169 V CB -0.237 31.475 31.823 -0.186 0.000 1.020 169 V HN 0.872 nan 8.190 nan 0.000 0.491 170 Q N 1.002 120.766 119.800 -0.059 0.000 2.165 170 Q HA 0.109 4.488 4.340 0.065 0.000 0.197 170 Q C 1.228 177.207 176.000 -0.036 0.000 0.952 170 Q CA 1.229 56.995 55.803 -0.061 0.000 0.848 170 Q CB 0.089 28.775 28.738 -0.087 0.000 0.931 170 Q HN 0.582 nan 8.270 nan 0.000 0.470 171 G N -0.185 108.608 108.800 -0.011 0.000 2.599 171 G HA2 0.434 4.433 3.960 0.065 0.000 0.264 171 G HA3 0.434 4.433 3.960 0.065 0.000 0.264 171 G C 0.031 174.941 174.900 0.017 0.000 1.200 171 G CA 0.031 45.130 45.100 -0.003 0.000 0.896 171 G HN 0.307 nan 8.290 nan 0.000 0.536 172 G N -1.346 107.461 108.800 0.011 0.000 2.634 172 G HA2 0.480 4.479 3.960 0.065 0.000 0.255 172 G HA3 0.480 4.479 3.960 0.065 0.000 0.255 172 G C 1.319 176.252 174.900 0.055 0.000 1.205 172 G CA 0.459 45.575 45.100 0.028 0.000 0.884 172 G HN 1.068 nan 8.290 nan 0.000 0.549 173 A N -0.321 122.543 122.820 0.073 0.000 2.024 173 A HA 0.082 4.441 4.320 0.065 0.000 0.220 173 A C 2.157 179.786 177.584 0.075 0.000 1.164 173 A CA 2.007 54.107 52.037 0.106 0.000 0.643 173 A CB -0.372 18.708 19.000 0.134 0.000 0.806 173 A HN 1.184 nan 8.150 nan 0.000 0.451 174 G N -0.174 108.650 108.800 0.040 0.000 3.523 174 G HA2 0.369 4.368 3.960 0.065 0.000 0.270 174 G HA3 0.369 4.368 3.960 0.065 0.000 0.270 174 G C 0.573 175.479 174.900 0.009 0.000 1.134 174 G CA 0.620 45.728 45.100 0.014 0.000 0.825 174 G HN 0.644 nan 8.290 nan 0.000 0.534 175 S N -0.310 115.404 115.700 0.023 0.000 2.686 175 S HA 0.773 5.282 4.470 0.065 0.000 0.270 175 S C 0.452 175.069 174.600 0.027 0.000 1.194 175 S CA -0.140 58.069 58.200 0.016 0.000 0.990 175 S CB 1.650 64.861 63.200 0.017 0.000 1.029 175 S HN 0.558 nan 8.310 nan 0.000 0.560 176 A N 0.053 122.885 122.820 0.020 0.000 2.286 176 A HA 0.464 4.823 4.320 0.065 0.000 0.286 176 A C 0.560 178.167 177.584 0.038 0.000 1.097 176 A CA -0.607 51.438 52.037 0.014 0.000 0.821 176 A CB -0.019 18.974 19.000 -0.013 0.000 1.076 176 A HN 0.852 nan 8.150 nan 0.000 0.490 177 D N 0.414 120.824 120.400 0.016 0.000 2.120 177 D HA -0.067 4.612 4.640 0.065 0.000 0.202 177 D C 1.660 177.930 176.300 -0.049 0.000 0.972 177 D CA 2.275 56.291 54.000 0.027 0.000 0.837 177 D CB -0.229 40.534 40.800 -0.062 0.000 0.989 177 D HN 0.677 nan 8.370 nan 0.000 0.469 178 T N -0.158 114.293 114.554 -0.171 0.000 3.330 178 T HA 0.266 4.655 4.350 0.065 0.000 0.249 178 T C 0.876 175.573 174.700 -0.005 0.000 0.980 178 T CA -0.544 61.457 62.100 -0.166 0.000 0.920 178 T CB -0.968 67.735 68.868 -0.276 0.000 1.065 178 T HN -0.072 nan 8.240 nan 0.000 0.588 179 V N -1.151 118.806 119.914 0.071 0.000 3.237 179 V HA 0.372 4.531 4.120 0.065 0.000 0.305 179 V C 0.737 176.976 176.094 0.243 0.000 1.096 179 V CA -1.308 61.087 62.300 0.158 0.000 1.130 179 V CB 0.237 32.137 31.823 0.129 0.000 1.048 179 V HN 0.555 nan 8.190 nan 0.000 0.484 180 R N 1.683 122.379 120.500 0.326 0.000 2.248 180 R HA 0.461 4.840 4.340 0.065 0.000 0.328 180 R C -0.925 175.453 176.300 0.129 0.000 1.067 180 R CA -0.057 56.180 56.100 0.227 0.000 0.924 180 R CB 0.164 30.519 30.300 0.092 0.000 1.013 180 R HN 1.062 nan 8.270 nan 0.000 0.454 181 D N 3.296 123.783 120.400 0.145 0.000 2.694 181 D HA 0.178 4.857 4.640 0.065 0.000 0.260 181 D C -0.651 175.756 176.300 0.180 0.000 1.250 181 D CA -0.611 53.465 54.000 0.125 0.000 0.763 181 D CB 1.194 42.059 40.800 0.108 0.000 1.311 181 D HN 0.211 nan 8.370 nan 0.000 0.420 182 I N 1.424 122.116 120.570 0.203 0.000 2.779 182 I HA 0.221 4.430 4.170 0.065 0.000 0.285 182 I C 0.890 177.141 176.117 0.223 0.000 1.134 182 I CA -0.040 61.392 61.300 0.219 0.000 1.398 182 I CB 0.030 38.185 38.000 0.258 0.000 1.404 182 I HN 0.242 nan 8.210 nan 0.000 0.587 183 R N 2.901 123.558 120.500 0.261 0.000 2.589 183 R HA 0.565 4.944 4.340 0.065 0.000 0.293 183 R C -0.028 176.467 176.300 0.325 0.000 0.963 183 R CA -0.741 55.536 56.100 0.294 0.000 0.905 183 R CB 1.407 31.909 30.300 0.336 0.000 1.144 183 R HN 0.801 nan 8.270 nan 0.000 0.459 184 G N 0.898 109.911 108.800 0.354 0.000 2.448 184 G HA2 0.482 4.481 3.960 0.065 0.000 0.285 184 G HA3 0.482 4.481 3.960 0.065 0.000 0.285 184 G C -1.266 173.720 174.900 0.143 0.000 1.176 184 G CA -0.061 45.221 45.100 0.303 0.000 0.852 184 G HN 0.364 nan 8.290 nan 0.000 0.530 185 F N 1.703 121.551 119.950 -0.170 0.000 3.090 185 F HA 0.622 5.187 4.527 0.064 0.000 0.381 185 F C -0.311 175.191 175.800 -0.496 0.000 1.231 185 F CA -1.829 55.961 58.000 -0.349 0.000 1.177 185 F CB 0.980 39.898 39.000 -0.136 0.000 1.598 185 F HN 0.672 nan 8.300 nan 0.000 0.589 186 A N 3.430 125.990 122.820 -0.433 0.000 2.303 186 A HA 0.783 5.142 4.320 0.065 0.000 0.320 186 A C -0.593 176.556 177.584 -0.725 0.000 1.192 186 A CA -0.424 51.187 52.037 -0.709 0.000 0.821 186 A CB 0.801 19.016 19.000 -1.308 0.000 1.188 186 A HN 0.528 nan 8.150 nan 0.000 0.492 187 T N 2.334 116.623 114.554 -0.442 0.000 2.812 187 T HA 0.394 4.783 4.350 0.065 0.000 0.282 187 T C -0.328 174.182 174.700 -0.316 0.000 0.990 187 T CA -0.495 61.341 62.100 -0.439 0.000 0.960 187 T CB 1.125 69.650 68.868 -0.571 0.000 0.948 187 T HN 0.639 nan 8.240 nan 0.000 0.438 188 K N 3.618 123.899 120.400 -0.198 0.000 2.281 188 K HA 0.443 4.802 4.320 0.065 0.000 0.272 188 K C -1.270 174.981 176.600 -0.582 0.000 1.048 188 K CA -0.566 55.503 56.287 -0.365 0.000 0.898 188 K CB 0.299 32.525 32.500 -0.456 0.000 1.128 188 K HN 0.369 nan 8.250 nan 0.000 0.460 189 F N 3.950 123.594 119.950 -0.510 0.000 2.410 189 F HA 0.241 4.806 4.527 0.063 0.000 0.349 189 F C -0.357 175.223 175.800 -0.367 0.000 1.117 189 F CA -0.560 57.215 58.000 -0.375 0.000 1.104 189 F CB 0.743 39.423 39.000 -0.533 0.000 1.122 189 F HN 0.428 nan 8.300 nan 0.000 0.483 190 Y N 1.751 122.103 120.300 0.086 0.000 2.802 190 Y HA 0.237 4.825 4.550 0.065 0.000 0.330 190 Y C 0.961 176.914 175.900 0.088 0.000 1.193 190 Y CA -0.870 57.263 58.100 0.055 0.000 1.427 190 Y CB -0.073 38.411 38.460 0.039 0.000 1.357 190 Y HN 0.570 nan 8.280 nan 0.000 0.501 191 T N -2.615 112.030 114.554 0.152 0.000 2.847 191 T HA 0.167 4.556 4.350 0.065 0.000 0.279 191 T C 1.041 175.835 174.700 0.158 0.000 0.984 191 T CA -0.686 61.513 62.100 0.165 0.000 0.988 191 T CB 1.073 70.014 68.868 0.121 0.000 1.040 191 T HN 0.631 nan 8.240 nan 0.000 0.528 192 E N 0.045 120.344 120.200 0.164 0.000 2.338 192 E HA -0.062 4.327 4.350 0.065 0.000 0.197 192 E C 1.108 177.777 176.600 0.114 0.000 1.007 192 E CA 0.785 57.263 56.400 0.131 0.000 0.849 192 E CB 0.106 29.879 29.700 0.122 0.000 0.774 192 E HN 0.732 nan 8.360 nan 0.000 0.506 193 E N 0.085 120.356 120.200 0.118 0.000 2.624 193 E HA 0.254 4.643 4.350 0.065 0.000 0.210 193 E C 0.171 176.824 176.600 0.088 0.000 0.997 193 E CA -0.202 56.260 56.400 0.104 0.000 0.999 193 E CB 1.305 31.070 29.700 0.109 0.000 1.040 193 E HN 0.176 nan 8.360 nan 0.000 0.469 194 G N 1.101 109.948 108.800 0.077 0.000 2.357 194 G HA2 -0.085 3.914 3.960 0.065 0.000 0.643 194 G HA3 -0.085 3.914 3.960 0.065 0.000 0.643 194 G C -0.934 173.973 174.900 0.013 0.000 1.358 194 G CA -1.110 44.011 45.100 0.037 0.000 0.986 194 G HN 0.024 nan 8.290 nan 0.000 0.620 195 I N 0.621 121.161 120.570 -0.050 0.000 2.496 195 I HA 0.354 4.563 4.170 0.065 0.000 0.285 195 I C -0.057 176.056 176.117 -0.006 0.000 1.080 195 I CA 0.049 61.287 61.300 -0.103 0.000 1.404 195 I CB 0.887 38.751 38.000 -0.226 0.000 1.403 195 I HN 0.449 nan 8.210 nan 0.000 0.539 196 F N 6.644 126.478 119.950 -0.193 0.000 2.449 196 F HA 0.428 4.992 4.527 0.062 0.000 0.342 196 F C -0.564 175.186 175.800 -0.082 0.000 1.127 196 F CA -1.180 56.705 58.000 -0.191 0.000 0.975 196 F CB 0.757 39.486 39.000 -0.452 0.000 1.146 196 F HN 0.331 nan 8.300 nan 0.000 0.444 197 D N 6.921 127.106 120.400 -0.359 0.000 2.329 197 D HA 0.244 4.923 4.640 0.065 0.000 0.232 197 D C -0.643 175.168 176.300 -0.815 0.000 1.088 197 D CA 0.054 53.792 54.000 -0.437 0.000 0.835 197 D CB 2.135 42.875 40.800 -0.099 0.000 1.078 197 D HN 0.629 nan 8.370 nan 0.000 0.495 198 L N 3.252 123.946 121.223 -0.882 0.000 2.264 198 L HA 0.304 4.683 4.340 0.065 0.000 0.287 198 L C -0.967 175.666 176.870 -0.396 0.000 1.039 198 L CA -0.626 53.770 54.840 -0.739 0.000 0.829 198 L CB 0.760 42.425 42.059 -0.657 0.000 1.211 198 L HN 0.051 nan 8.230 nan 0.000 0.427 199 V N 5.639 125.363 119.914 -0.317 0.000 2.240 199 V HA 0.501 4.660 4.120 0.065 0.000 0.265 199 V C 0.758 176.749 176.094 -0.172 0.000 1.073 199 V CA -0.317 61.812 62.300 -0.284 0.000 0.857 199 V CB 0.545 32.155 31.823 -0.356 0.000 1.114 199 V HN 0.844 nan 8.190 nan 0.000 0.469 200 G N 3.077 111.793 108.800 -0.141 0.000 2.887 200 G HA2 0.679 4.678 3.960 0.065 0.000 0.277 200 G HA3 0.679 4.678 3.960 0.065 0.000 0.277 200 G C -0.879 174.045 174.900 0.040 0.000 1.346 200 G CA -0.576 44.496 45.100 -0.046 0.000 1.058 200 G HN 0.478 nan 8.290 nan 0.000 0.535 201 N N -1.146 117.624 118.700 0.117 0.000 2.761 201 N HA 0.243 5.022 4.740 0.065 0.000 0.283 201 N C 0.302 175.994 175.510 0.303 0.000 1.377 201 N CA -0.745 52.435 53.050 0.217 0.000 0.791 201 N CB 1.343 39.943 38.487 0.188 0.000 1.540 201 N HN 0.511 nan 8.380 nan 0.000 0.539 202 N N -1.265 117.631 118.700 0.327 0.000 2.314 202 N HA -0.000 4.779 4.740 0.065 0.000 0.200 202 N C -0.452 175.304 175.510 0.409 0.000 1.135 202 N CA -0.064 53.232 53.050 0.411 0.000 0.835 202 N CB -0.198 38.510 38.487 0.369 0.000 0.989 202 N HN 0.557 nan 8.380 nan 0.000 0.478 203 T N -3.895 110.718 114.554 0.099 0.000 2.906 203 T HA 0.487 4.875 4.350 0.065 0.000 0.295 203 T C -2.742 171.328 174.700 -1.051 0.000 1.075 203 T CA -1.539 60.187 62.100 -0.624 0.000 1.005 203 T CB 2.936 71.329 68.868 -0.792 0.000 1.136 203 T HN -0.233 nan 8.240 nan 0.000 0.498 204 P HA 0.263 nan 4.420 nan 0.000 0.262 204 P C 0.277 177.075 177.300 -0.838 0.000 1.304 204 P CA -0.072 62.163 63.100 -1.442 0.000 0.859 204 P CB -0.048 30.745 31.700 -1.510 0.000 1.310 205 I N -4.252 115.788 120.570 -0.883 0.000 3.343 205 I HA 0.569 4.778 4.170 0.065 0.000 0.315 205 I C -1.358 174.504 176.117 -0.426 0.000 1.153 205 I CA -1.913 59.026 61.300 -0.601 0.000 0.952 205 I CB 1.423 39.028 38.000 -0.659 0.000 1.287 205 I HN -0.240 nan 8.210 nan 0.000 0.472 206 F N -0.013 119.654 119.950 -0.473 0.000 2.618 206 F HA 0.498 5.066 4.527 0.067 0.000 0.332 206 F C 0.372 175.921 175.800 -0.420 0.000 1.061 206 F CA -0.794 56.957 58.000 -0.415 0.000 0.974 206 F CB 2.072 40.968 39.000 -0.173 0.000 1.310 206 F HN 0.384 nan 8.300 nan 0.000 0.491 207 F N 2.215 121.387 119.950 -1.296 0.000 2.293 207 F HA 0.018 4.583 4.527 0.064 0.000 0.300 207 F C 0.677 176.184 175.800 -0.488 0.000 1.086 207 F CA 0.855 58.278 58.000 -0.963 0.000 1.375 207 F CB -0.071 37.909 39.000 -1.701 0.000 1.045 207 F HN 0.142 nan 8.300 nan 0.000 0.516 208 I N -3.573 116.978 120.570 -0.032 0.000 3.042 208 I HA 0.356 4.565 4.170 0.065 0.000 0.310 208 I C 0.296 176.573 176.117 0.268 0.000 1.117 208 I CA -0.837 60.565 61.300 0.171 0.000 1.003 208 I CB 1.937 40.101 38.000 0.273 0.000 1.228 208 I HN -0.181 nan 8.210 nan 0.000 0.443 209 Q N 0.382 120.334 119.800 0.253 0.000 2.324 209 Q HA 0.154 4.533 4.340 0.065 0.000 0.207 209 Q C -0.310 175.863 176.000 0.287 0.000 0.928 209 Q CA 0.613 56.601 55.803 0.308 0.000 0.890 209 Q CB 0.529 29.508 28.738 0.401 0.000 1.001 209 Q HN 0.647 nan 8.270 nan 0.000 0.517 210 D N -1.127 119.416 120.400 0.239 0.000 2.505 210 D HA 0.311 4.990 4.640 0.065 0.000 0.249 210 D C -0.018 176.410 176.300 0.213 0.000 1.082 210 D CA -0.200 53.912 54.000 0.186 0.000 0.839 210 D CB 1.885 42.767 40.800 0.137 0.000 1.317 210 D HN 0.045 nan 8.370 nan 0.000 0.497 211 A N 3.323 126.239 122.820 0.159 0.000 2.024 211 A HA -0.242 4.117 4.320 0.065 0.000 0.220 211 A C 1.787 179.493 177.584 0.204 0.000 1.164 211 A CA 1.685 53.811 52.037 0.149 0.000 0.643 211 A CB -0.759 18.271 19.000 0.050 0.000 0.806 211 A HN 0.812 nan 8.150 nan 0.000 0.451 212 H N 0.048 119.180 119.070 0.103 0.000 2.457 212 H HA -0.031 4.563 4.556 0.062 0.000 0.297 212 H C 1.619 177.030 175.328 0.137 0.000 1.092 212 H CA 1.903 58.006 56.048 0.091 0.000 1.309 212 H CB 0.065 29.856 29.762 0.049 0.000 1.382 212 H HN 0.411 nan 8.280 nan 0.000 0.535 213 K N -0.739 119.784 120.400 0.206 0.000 2.393 213 K HA -0.043 4.316 4.320 0.065 0.000 0.193 213 K C 1.514 178.258 176.600 0.241 0.000 1.026 213 K CA 0.076 56.490 56.287 0.212 0.000 1.064 213 K CB 0.045 32.726 32.500 0.301 0.000 0.833 213 K HN 0.283 nan 8.250 nan 0.000 0.521 214 F N 2.938 122.951 119.950 0.106 0.000 2.091 214 F HA -0.175 4.391 4.527 0.065 0.000 0.299 214 F C -0.987 174.830 175.800 0.028 0.000 1.103 214 F CA 1.557 59.643 58.000 0.143 0.000 1.228 214 F CB -0.527 38.541 39.000 0.112 0.000 0.984 214 F HN 0.015 nan 8.300 nan 0.000 0.477 215 P HA -0.136 nan 4.420 nan 0.000 0.218 215 P C 1.029 178.020 177.300 -0.516 0.000 1.149 215 P CA 1.751 64.634 63.100 -0.363 0.000 0.817 215 P CB -0.060 31.444 31.700 -0.327 0.000 0.785 216 D N -1.312 118.930 120.400 -0.263 0.000 2.097 216 D HA -0.162 4.517 4.640 0.065 0.000 0.195 216 D C 1.789 177.793 176.300 -0.493 0.000 0.989 216 D CA 1.088 54.970 54.000 -0.195 0.000 0.827 216 D CB -0.788 40.081 40.800 0.115 0.000 0.966 216 D HN 0.169 nan 8.370 nan 0.000 0.456 217 F N 1.786 121.321 119.950 -0.691 0.000 2.102 217 F HA -0.206 4.359 4.527 0.063 0.000 0.298 217 F C 2.254 177.657 175.800 -0.662 0.000 1.105 217 F CA 1.077 58.454 58.000 -1.038 0.000 1.239 217 F CB -0.191 38.438 39.000 -0.617 0.000 0.991 217 F HN -0.253 nan 8.300 nan 0.000 0.474 218 V N 0.347 119.849 119.914 -0.687 0.000 2.343 218 V HA -0.335 3.824 4.120 0.065 0.000 0.247 218 V C 2.271 178.136 176.094 -0.382 0.000 1.051 218 V CA 2.428 64.359 62.300 -0.615 0.000 1.036 218 V CB -1.103 30.391 31.823 -0.548 0.000 0.654 218 V HN 0.473 nan 8.190 nan 0.000 0.451 219 H N -0.184 118.656 119.070 -0.384 0.000 2.387 219 H HA -0.136 4.459 4.556 0.064 0.000 0.299 219 H C 2.315 177.492 175.328 -0.251 0.000 1.099 219 H CA 1.050 56.953 56.048 -0.242 0.000 1.315 219 H CB 0.044 29.717 29.762 -0.149 0.000 1.380 219 H HN 0.492 nan 8.280 nan 0.000 0.513 220 A N 0.400 123.042 122.820 -0.297 0.000 1.930 220 A HA -0.090 4.269 4.320 0.065 0.000 0.217 220 A C 2.469 179.900 177.584 -0.255 0.000 1.175 220 A CA 1.220 53.084 52.037 -0.288 0.000 0.627 220 A CB -0.586 18.116 19.000 -0.496 0.000 0.815 220 A HN 0.301 nan 8.150 nan 0.000 0.443 221 V N -0.281 119.339 119.914 -0.489 0.000 2.788 221 V HA 0.015 4.174 4.120 0.065 0.000 0.251 221 V C 0.837 176.874 176.094 -0.095 0.000 1.068 221 V CA 0.770 62.840 62.300 -0.383 0.000 1.090 221 V CB -0.467 30.926 31.823 -0.716 0.000 0.710 221 V HN 0.316 nan 8.190 nan 0.000 0.467 222 K N 0.989 121.317 120.400 -0.119 0.000 2.149 222 K HA 0.251 4.609 4.320 0.065 0.000 0.245 222 K C -2.315 174.235 176.600 -0.083 0.000 1.024 222 K CA -1.734 54.500 56.287 -0.087 0.000 0.899 222 K CB -0.227 32.217 32.500 -0.093 0.000 1.038 222 K HN 0.144 nan 8.250 nan 0.000 0.496 223 P HA -0.018 nan 4.420 nan 0.000 0.266 223 P C -0.516 176.716 177.300 -0.114 0.000 1.195 223 P CA 0.412 63.372 63.100 -0.235 0.000 0.768 223 P CB 0.378 31.955 31.700 -0.205 0.000 0.838 224 E N 5.203 125.377 120.200 -0.043 0.000 2.398 224 E HA -0.006 4.383 4.350 0.065 0.000 0.263 224 E C -1.264 175.400 176.600 0.107 0.000 1.046 224 E CA -1.261 55.220 56.400 0.135 0.000 0.908 224 E CB 0.188 30.092 29.700 0.340 0.000 0.963 224 E HN 0.429 nan 8.360 nan 0.000 0.431 225 P HA -0.180 nan 4.420 nan 0.000 0.225 225 P C 0.975 178.338 177.300 0.106 0.000 1.156 225 P CA 1.226 64.359 63.100 0.055 0.000 0.787 225 P CB 0.082 31.791 31.700 0.014 0.000 0.802 226 H N -0.467 118.638 119.070 0.058 0.000 2.326 226 H HA -0.091 4.504 4.556 0.065 0.000 0.301 226 H C 1.441 176.868 175.328 0.164 0.000 1.081 226 H CA 1.500 57.574 56.048 0.043 0.000 1.334 226 H CB -1.318 28.399 29.762 -0.075 0.000 1.385 226 H HN 0.299 nan 8.280 nan 0.000 0.504 227 W N -0.060 120.868 121.300 -0.620 0.000 2.870 227 W HA 0.698 5.396 4.660 0.064 0.000 0.358 227 W C 0.491 176.837 176.519 -0.287 0.000 1.043 227 W CA -1.111 55.992 57.345 -0.403 0.000 1.692 227 W CB -0.740 28.471 29.460 -0.414 0.000 1.100 227 W HN 0.440 nan 8.180 nan 0.000 0.557 228 A N 1.398 124.197 122.820 -0.036 0.000 2.610 228 A HA -0.143 4.216 4.320 0.065 0.000 0.299 228 A C -0.395 176.959 177.584 -0.384 0.000 1.487 228 A CA 1.475 53.412 52.037 -0.166 0.000 0.743 228 A CB -2.392 16.537 19.000 -0.119 0.000 1.070 228 A HN 0.477 nan 8.150 nan 0.000 0.439 229 I N 0.624 120.822 120.570 -0.621 0.000 2.686 229 I HA 0.525 4.734 4.170 0.065 0.000 0.295 229 I C -2.515 173.275 176.117 -0.544 0.000 1.114 229 I CA -2.312 58.507 61.300 -0.800 0.000 1.038 229 I CB 3.052 40.054 38.000 -1.663 0.000 1.238 229 I HN 0.213 nan 8.210 nan 0.000 0.420 230 P HA 0.302 nan 4.420 nan 0.000 0.296 230 P C -1.511 175.632 177.300 -0.262 0.000 1.310 230 P CA -0.831 62.053 63.100 -0.360 0.000 0.900 230 P CB 1.768 33.337 31.700 -0.219 0.000 1.111 231 Q N 1.175 120.862 119.800 -0.188 0.000 2.304 231 Q HA 0.463 4.842 4.340 0.065 0.000 0.260 231 Q C 1.109 177.075 176.000 -0.057 0.000 0.965 231 Q CA 1.178 56.910 55.803 -0.118 0.000 0.898 231 Q CB -0.382 28.296 28.738 -0.100 0.000 1.196 231 Q HN 0.823 nan 8.270 nan 0.000 0.402 232 G N 3.341 112.116 108.800 -0.040 0.000 2.221 232 G HA2 -0.279 3.720 3.960 0.065 0.000 0.265 232 G HA3 -0.279 3.720 3.960 0.065 0.000 0.265 232 G C -0.476 174.440 174.900 0.026 0.000 1.041 232 G CA 0.471 45.572 45.100 0.002 0.000 0.807 232 G HN 0.546 nan 8.290 nan 0.000 0.502 233 Q N -1.099 118.703 119.800 0.002 0.000 2.295 233 Q HA 0.496 4.875 4.340 0.065 0.000 0.268 233 Q C 0.645 176.653 176.000 0.012 0.000 1.010 233 Q CA -0.089 55.742 55.803 0.047 0.000 0.856 233 Q CB 1.695 30.503 28.738 0.117 0.000 1.349 233 Q HN 0.489 nan 8.270 nan 0.000 0.412 234 S N -0.498 115.097 115.700 -0.176 0.000 2.575 234 S HA 0.219 4.728 4.470 0.065 0.000 0.215 234 S C 0.837 175.332 174.600 -0.175 0.000 0.966 234 S CA -0.017 57.825 58.200 -0.596 0.000 0.911 234 S CB 0.355 62.648 63.200 -1.511 0.000 0.780 234 S HN 0.578 nan 8.310 nan 0.000 0.514 235 A N 2.354 125.291 122.820 0.195 0.000 3.037 235 A HA 0.563 4.922 4.320 0.065 0.000 0.272 235 A C 0.059 177.878 177.584 0.392 0.000 1.723 235 A CA -0.616 51.631 52.037 0.350 0.000 1.413 235 A CB -1.114 18.031 19.000 0.242 0.000 1.112 235 A HN 0.888 nan 8.150 nan 0.000 0.606 236 H N -3.244 116.023 119.070 0.327 0.000 3.003 236 H HA 0.461 5.056 4.556 0.064 0.000 0.327 236 H C -0.344 175.181 175.328 0.329 0.000 1.353 236 H CA -0.744 55.462 56.048 0.263 0.000 1.142 236 H CB 0.212 30.087 29.762 0.189 0.000 1.864 236 H HN 0.077 nan 8.280 nan 0.000 0.529 237 D N 0.159 120.749 120.400 0.317 0.000 2.123 237 D HA -0.189 4.490 4.640 0.065 0.000 0.196 237 D C 2.113 178.496 176.300 0.139 0.000 0.992 237 D CA 2.983 57.103 54.000 0.199 0.000 0.833 237 D CB -0.280 40.608 40.800 0.148 0.000 0.954 237 D HN 0.770 nan 8.370 nan 0.000 0.455 238 T N -1.646 112.996 114.554 0.148 0.000 2.821 238 T HA -0.186 4.203 4.350 0.065 0.000 0.267 238 T C 1.910 176.572 174.700 -0.064 0.000 1.046 238 T CA 0.612 62.758 62.100 0.077 0.000 1.139 238 T CB -0.696 68.261 68.868 0.148 0.000 0.871 238 T HN 0.156 nan 8.240 nan 0.000 0.454 239 F N 0.717 120.381 119.950 -0.476 0.000 2.102 239 F HA 0.099 4.664 4.527 0.064 0.000 0.298 239 F C 1.848 177.383 175.800 -0.442 0.000 1.105 239 F CA 0.636 58.266 58.000 -0.616 0.000 1.239 239 F CB -0.581 37.837 39.000 -0.970 0.000 0.991 239 F HN 0.151 nan 8.300 nan 0.000 0.474 240 W N 0.628 121.857 121.300 -0.119 0.000 2.467 240 W HA -0.094 4.606 4.660 0.067 0.000 0.275 240 W C 2.312 178.752 176.519 -0.131 0.000 1.239 240 W CA 0.989 58.252 57.345 -0.136 0.000 1.266 240 W CB -0.606 28.858 29.460 0.006 0.000 1.112 240 W HN 0.071 nan 8.180 nan 0.000 0.576 241 D N -0.452 119.996 120.400 0.082 0.000 2.087 241 D HA -0.311 4.368 4.640 0.065 0.000 0.192 241 D C 1.894 178.201 176.300 0.012 0.000 0.993 241 D CA 1.653 55.685 54.000 0.054 0.000 0.828 241 D CB -0.660 40.184 40.800 0.072 0.000 0.968 241 D HN 0.175 nan 8.370 nan 0.000 0.448 242 Y N 0.434 120.634 120.300 -0.167 0.000 2.114 242 Y HA -0.244 4.345 4.550 0.065 0.000 0.282 242 Y C 2.327 178.093 175.900 -0.224 0.000 1.165 242 Y CA 1.729 59.714 58.100 -0.192 0.000 1.148 242 Y CB -0.465 37.844 38.460 -0.251 0.000 0.972 242 Y HN -0.085 nan 8.280 nan 0.000 0.504 243 V N 0.052 119.842 119.914 -0.206 0.000 2.287 243 V HA -0.356 3.803 4.120 0.065 0.000 0.248 243 V C 2.571 178.609 176.094 -0.094 0.000 1.053 243 V CA 2.259 64.430 62.300 -0.215 0.000 1.027 243 V CB -1.250 30.347 31.823 -0.376 0.000 0.646 243 V HN 0.668 nan 8.190 nan 0.000 0.447 244 S N -0.205 115.486 115.700 -0.016 0.000 2.419 244 S HA -0.067 4.442 4.470 0.065 0.000 0.233 244 S C 1.710 176.281 174.600 -0.047 0.000 1.016 244 S CA 1.359 59.572 58.200 0.022 0.000 0.974 244 S CB -0.475 62.767 63.200 0.071 0.000 0.786 244 S HN 0.559 nan 8.310 nan 0.000 0.492 245 L N 0.016 121.163 121.223 -0.126 0.000 2.585 245 L HA 0.313 4.692 4.340 0.065 0.000 0.226 245 L C 0.558 177.256 176.870 -0.287 0.000 1.113 245 L CA 0.162 54.896 54.840 -0.176 0.000 0.876 245 L CB 0.024 41.982 42.059 -0.168 0.000 1.072 245 L HN 0.255 nan 8.230 nan 0.000 0.468 246 Q N 0.127 119.718 119.800 -0.349 0.000 3.429 246 Q HA 0.218 4.597 4.340 0.065 0.000 0.237 246 Q C -1.950 173.829 176.000 -0.368 0.000 0.932 246 Q CA -1.358 54.193 55.803 -0.420 0.000 0.731 246 Q CB 1.465 29.842 28.738 -0.600 0.000 1.383 246 Q HN -0.011 nan 8.270 nan 0.000 0.446 247 P HA -0.236 nan 4.420 nan 0.000 0.223 247 P C 1.030 178.027 177.300 -0.506 0.000 1.144 247 P CA 1.170 64.031 63.100 -0.399 0.000 0.783 247 P CB 0.227 31.679 31.700 -0.413 0.000 0.771 248 E N 0.795 120.529 120.200 -0.778 0.000 2.273 248 E HA -0.200 4.189 4.350 0.065 0.000 0.198 248 E C 1.396 177.936 176.600 -0.099 0.000 1.002 248 E CA 1.917 58.107 56.400 -0.350 0.000 0.828 248 E CB -1.252 28.318 29.700 -0.217 0.000 0.747 248 E HN 0.306 nan 8.360 nan 0.000 0.491 249 T N -0.999 113.504 114.554 -0.084 0.000 3.085 249 T HA 0.060 4.449 4.350 0.065 0.000 0.263 249 T C 1.892 176.657 174.700 0.108 0.000 1.127 249 T CA 0.300 62.422 62.100 0.037 0.000 1.103 249 T CB -0.241 68.675 68.868 0.080 0.000 0.921 249 T HN 0.149 nan 8.240 nan 0.000 0.510 250 L N -0.002 121.288 121.223 0.111 0.000 2.141 250 L HA -0.040 4.339 4.340 0.065 0.000 0.209 250 L C 2.843 179.882 176.870 0.281 0.000 1.094 250 L CA 1.618 56.596 54.840 0.230 0.000 0.763 250 L CB -0.727 41.480 42.059 0.247 0.000 0.908 250 L HN 0.472 nan 8.230 nan 0.000 0.437 251 H N 0.032 119.148 119.070 0.075 0.000 2.276 251 H HA -0.193 4.402 4.556 0.065 0.000 0.301 251 H C 2.136 177.459 175.328 -0.008 0.000 1.073 251 H CA 1.726 57.815 56.048 0.067 0.000 1.311 251 H CB 0.222 29.991 29.762 0.012 0.000 1.379 251 H HN 0.347 nan 8.280 nan 0.000 0.494 252 N N 0.006 118.523 118.700 -0.304 0.000 2.289 252 N HA -0.129 4.650 4.740 0.065 0.000 0.184 252 N C 1.919 177.245 175.510 -0.306 0.000 1.016 252 N CA 0.762 53.395 53.050 -0.695 0.000 0.872 252 N CB 0.268 37.882 38.487 -1.454 0.000 0.973 252 N HN 0.135 nan 8.380 nan 0.000 0.433 253 V N 1.577 121.548 119.914 0.096 0.000 2.343 253 V HA -0.238 3.920 4.120 0.065 0.000 0.247 253 V C 2.496 178.728 176.094 0.229 0.000 1.051 253 V CA 1.200 63.699 62.300 0.332 0.000 1.036 253 V CB -0.348 31.725 31.823 0.417 0.000 0.654 253 V HN 0.391 nan 8.190 nan 0.000 0.451 254 M N -1.509 118.264 119.600 0.288 0.000 2.080 254 M HA -0.210 4.309 4.480 0.065 0.000 0.260 254 M C 2.093 178.403 176.300 0.016 0.000 1.068 254 M CA 1.884 57.362 55.300 0.297 0.000 1.109 254 M CB -1.245 31.567 32.600 0.353 0.000 1.342 254 M HN 0.471 nan 8.290 nan 0.000 0.405 255 W N 0.481 121.512 121.300 -0.449 0.000 2.363 255 W HA -0.091 4.609 4.660 0.067 0.000 0.296 255 W C 2.784 179.229 176.519 -0.123 0.000 1.212 255 W CA 1.799 58.852 57.345 -0.486 0.000 1.260 255 W CB -0.986 28.111 29.460 -0.605 0.000 1.131 255 W HN 0.290 nan 8.180 nan 0.000 0.530 256 A N -0.710 122.193 122.820 0.138 0.000 1.930 256 A HA -0.155 4.204 4.320 0.065 0.000 0.217 256 A C 1.926 179.561 177.584 0.085 0.000 1.175 256 A CA 1.547 53.669 52.037 0.141 0.000 0.627 256 A CB -0.575 18.547 19.000 0.204 0.000 0.815 256 A HN 0.079 nan 8.150 nan 0.000 0.443 257 M N 0.842 120.449 119.600 0.011 0.000 2.492 257 M HA 0.016 4.535 4.480 0.065 0.000 0.262 257 M C 1.418 177.767 176.300 0.082 0.000 1.090 257 M CA 0.750 56.000 55.300 -0.082 0.000 1.110 257 M CB -1.427 30.877 32.600 -0.492 0.000 1.407 257 M HN 0.539 nan 8.290 nan 0.000 0.470 258 S N 0.275 116.083 115.700 0.179 0.000 2.634 258 S HA 0.093 4.602 4.470 0.065 0.000 0.261 258 S C 0.711 175.445 174.600 0.223 0.000 1.271 258 S CA -0.470 57.875 58.200 0.242 0.000 0.985 258 S CB 0.978 64.372 63.200 0.324 0.000 0.968 258 S HN 0.184 nan 8.310 nan 0.000 0.568 259 D N 0.252 120.801 120.400 0.248 0.000 2.378 259 D HA 0.005 4.683 4.640 0.065 0.000 0.222 259 D C 1.810 178.256 176.300 0.244 0.000 0.980 259 D CA 0.364 54.530 54.000 0.277 0.000 0.907 259 D CB -0.168 40.860 40.800 0.380 0.000 0.899 259 D HN 0.398 nan 8.370 nan 0.000 0.527 260 R N 0.229 120.866 120.500 0.228 0.000 2.159 260 R HA -0.057 4.322 4.340 0.065 0.000 0.237 260 R C 2.064 178.522 176.300 0.262 0.000 1.131 260 R CA 0.937 57.197 56.100 0.266 0.000 0.982 260 R CB -0.767 29.756 30.300 0.373 0.000 0.868 260 R HN 0.187 nan 8.270 nan 0.000 0.453 261 G N 1.361 110.303 108.800 0.236 0.000 2.679 261 G HA2 -0.052 3.947 3.960 0.065 0.000 0.212 261 G HA3 -0.052 3.947 3.960 0.065 0.000 0.212 261 G C 1.030 176.071 174.900 0.235 0.000 1.137 261 G CA 0.188 45.418 45.100 0.216 0.000 0.787 261 G HN 0.430 nan 8.290 nan 0.000 0.534 262 I N -2.279 118.441 120.570 0.250 0.000 2.917 262 I HA 0.349 4.558 4.170 0.065 0.000 0.292 262 I C -2.853 173.420 176.117 0.259 0.000 1.510 262 I CA -2.521 58.936 61.300 0.261 0.000 0.858 262 I CB 1.768 39.930 38.000 0.269 0.000 1.862 262 I HN -0.259 nan 8.210 nan 0.000 0.615 263 P HA 0.071 nan 4.420 nan 0.000 0.269 263 P C 0.485 177.920 177.300 0.225 0.000 1.215 263 P CA -0.155 63.049 63.100 0.174 0.000 0.780 263 P CB 1.324 33.057 31.700 0.056 0.000 0.898 264 R N 1.553 122.168 120.500 0.191 0.000 2.115 264 R HA 0.031 4.410 4.340 0.065 0.000 0.226 264 R C 0.463 176.892 176.300 0.215 0.000 1.100 264 R CA 1.335 57.596 56.100 0.268 0.000 0.980 264 R CB -0.387 30.047 30.300 0.223 0.000 0.875 264 R HN 0.566 nan 8.270 nan 0.000 0.445 265 S N -2.660 112.961 115.700 -0.132 0.000 2.565 265 S HA 0.193 4.702 4.470 0.065 0.000 0.274 265 S C -0.352 173.932 174.600 -0.526 0.000 1.144 265 S CA -0.865 57.102 58.200 -0.388 0.000 0.849 265 S CB 0.069 63.183 63.200 -0.142 0.000 1.103 265 S HN 0.103 nan 8.310 nan 0.000 0.455 266 Y N 2.273 122.200 120.300 -0.623 0.000 2.403 266 Y HA 0.036 4.625 4.550 0.066 0.000 0.291 266 Y C 2.337 177.880 175.900 -0.595 0.000 1.143 266 Y CA 1.161 58.769 58.100 -0.820 0.000 1.257 266 Y CB -0.321 37.251 38.460 -1.480 0.000 0.984 266 Y HN 0.568 nan 8.280 nan 0.000 0.550 267 R N -0.635 119.726 120.500 -0.232 0.000 2.236 267 R HA -0.018 4.361 4.340 0.065 0.000 0.208 267 R C 1.090 177.343 176.300 -0.079 0.000 1.036 267 R CA 1.484 57.499 56.100 -0.142 0.000 1.001 267 R CB -0.332 29.884 30.300 -0.140 0.000 0.896 267 R HN 0.331 nan 8.270 nan 0.000 0.464 268 T N -1.956 112.571 114.554 -0.044 0.000 3.331 268 T HA 0.340 4.728 4.350 0.065 0.000 0.282 268 T C 0.199 174.940 174.700 0.068 0.000 1.010 268 T CA -0.689 61.416 62.100 0.009 0.000 0.928 268 T CB -0.061 68.800 68.868 -0.012 0.000 1.154 268 T HN 0.064 nan 8.240 nan 0.000 0.516 269 M N -0.997 118.683 119.600 0.133 0.000 2.644 269 M HA 0.744 5.263 4.480 0.065 0.000 0.304 269 M C -1.017 175.468 176.300 0.308 0.000 1.215 269 M CA -0.933 54.490 55.300 0.205 0.000 0.871 269 M CB 1.984 34.703 32.600 0.198 0.000 1.740 269 M HN -0.160 nan 8.290 nan 0.000 0.464 270 E N 0.382 120.763 120.200 0.301 0.000 2.349 270 E HA 0.619 5.007 4.350 0.065 0.000 0.262 270 E C -0.273 176.413 176.600 0.144 0.000 1.088 270 E CA -0.547 55.968 56.400 0.191 0.000 0.899 270 E CB 1.594 31.334 29.700 0.067 0.000 1.044 270 E HN 0.852 nan 8.360 nan 0.000 0.420 271 G N 0.857 109.577 108.800 -0.133 0.000 2.481 271 G HA2 0.645 4.644 3.960 0.065 0.000 0.315 271 G HA3 0.645 4.644 3.960 0.065 0.000 0.315 271 G C -1.392 173.056 174.900 -0.752 0.000 1.231 271 G CA -0.445 44.534 45.100 -0.203 0.000 0.968 271 G HN 0.301 nan 8.290 nan 0.000 0.482 272 F N -0.808 119.081 119.950 -0.101 0.000 2.619 272 F HA 0.504 5.069 4.527 0.064 0.000 0.308 272 F C 1.003 176.714 175.800 -0.149 0.000 1.097 272 F CA -0.570 57.294 58.000 -0.226 0.000 0.953 272 F CB 2.486 41.302 39.000 -0.307 0.000 1.287 272 F HN 0.602 nan 8.300 nan 0.000 0.446 273 G N -0.608 108.257 108.800 0.109 0.000 2.985 273 G HA2 0.216 4.215 3.960 0.065 0.000 0.209 273 G HA3 0.216 4.215 3.960 0.065 0.000 0.209 273 G C 0.662 175.638 174.900 0.126 0.000 1.165 273 G CA 0.680 45.895 45.100 0.192 0.000 0.776 273 G HN 0.980 nan 8.290 nan 0.000 0.541 274 C N -1.319 117.947 119.300 -0.058 0.000 5.886 274 C HA -0.158 4.341 4.460 0.065 0.000 0.327 274 C C 0.837 175.534 174.990 -0.489 0.000 2.427 274 C CA 0.727 59.531 59.018 -0.356 0.000 2.191 274 C CB -1.851 25.543 27.740 -0.576 0.000 3.230 274 C HN 0.592 nan 8.230 nan 0.000 0.265 275 H N 0.218 119.321 119.070 0.054 0.000 2.651 275 H HA 0.477 5.073 4.556 0.066 0.000 0.353 275 H C -0.076 175.210 175.328 -0.070 0.000 1.178 275 H CA 0.146 56.138 56.048 -0.094 0.000 1.224 275 H CB 0.603 30.162 29.762 -0.338 0.000 1.702 275 H HN 0.322 nan 8.280 nan 0.000 0.550 276 T N 2.801 117.344 114.554 -0.019 0.000 2.779 276 T HA 0.210 4.599 4.350 0.065 0.000 0.296 276 T C 0.144 174.784 174.700 -0.101 0.000 0.938 276 T CA 0.157 62.226 62.100 -0.052 0.000 1.119 276 T CB -0.466 68.317 68.868 -0.143 0.000 0.891 276 T HN 0.196 nan 8.240 nan 0.000 0.526 277 F N 1.376 121.292 119.950 -0.057 0.000 2.535 277 F HA 0.635 5.200 4.527 0.062 0.000 0.367 277 F C 1.105 176.864 175.800 -0.069 0.000 1.096 277 F CA -1.324 56.662 58.000 -0.023 0.000 1.088 277 F CB 1.318 40.289 39.000 -0.048 0.000 1.387 277 F HN 0.195 nan 8.300 nan 0.000 0.494 278 R N 0.565 121.122 120.500 0.095 0.000 2.711 278 R HA 0.633 5.012 4.340 0.065 0.000 0.284 278 R C -1.515 174.668 176.300 -0.194 0.000 0.968 278 R CA -0.850 55.173 56.100 -0.128 0.000 0.924 278 R CB 1.737 31.895 30.300 -0.236 0.000 1.162 278 R HN 0.441 nan 8.270 nan 0.000 0.465 279 L N 3.656 124.713 121.223 -0.276 0.000 2.322 279 L HA 0.526 4.905 4.340 0.065 0.000 0.279 279 L C -0.456 176.252 176.870 -0.269 0.000 1.036 279 L CA -0.866 53.818 54.840 -0.260 0.000 0.807 279 L CB 1.270 43.178 42.059 -0.252 0.000 1.226 279 L HN 0.366 nan 8.230 nan 0.000 0.433 280 I N 2.727 123.165 120.570 -0.221 0.000 2.447 280 I HA 0.281 4.490 4.170 0.065 0.000 0.287 280 I C -0.326 175.704 176.117 -0.145 0.000 1.023 280 I CA -0.693 60.482 61.300 -0.208 0.000 1.083 280 I CB 1.477 39.365 38.000 -0.187 0.000 1.245 280 I HN 0.629 nan 8.210 nan 0.000 0.434 281 N N 4.761 123.389 118.700 -0.120 0.000 2.491 281 N HA 0.400 5.179 4.740 0.065 0.000 0.279 281 N C 0.824 176.295 175.510 -0.066 0.000 1.236 281 N CA -0.363 52.636 53.050 -0.085 0.000 0.982 281 N CB 0.732 39.176 38.487 -0.071 0.000 1.194 281 N HN 0.530 nan 8.380 nan 0.000 0.582 282 A N -0.447 122.343 122.820 -0.050 0.000 2.024 282 A HA -0.136 4.223 4.320 0.065 0.000 0.220 282 A C 1.450 179.015 177.584 -0.033 0.000 1.164 282 A CA 1.143 53.157 52.037 -0.039 0.000 0.643 282 A CB -0.617 18.366 19.000 -0.029 0.000 0.806 282 A HN 0.712 nan 8.150 nan 0.000 0.451 283 E N -1.118 119.064 120.200 -0.031 0.000 2.511 283 E HA 0.126 4.515 4.350 0.065 0.000 0.196 283 E C 1.279 177.870 176.600 -0.016 0.000 1.066 283 E CA 0.660 57.047 56.400 -0.022 0.000 0.871 283 E CB -0.329 29.359 29.700 -0.020 0.000 0.863 283 E HN 0.806 nan 8.360 nan 0.000 0.520 284 G N 2.223 111.010 108.800 -0.020 0.000 2.148 284 G HA2 -0.336 3.663 3.960 0.065 0.000 0.254 284 G HA3 -0.336 3.663 3.960 0.065 0.000 0.254 284 G C 0.346 175.262 174.900 0.028 0.000 0.981 284 G CA 0.517 45.624 45.100 0.011 0.000 0.670 284 G HN 0.269 nan 8.290 nan 0.000 0.528 285 K N 0.828 121.206 120.400 -0.037 0.000 2.339 285 K HA 0.608 4.967 4.320 0.065 0.000 0.286 285 K C 0.714 177.183 176.600 -0.218 0.000 1.050 285 K CA 0.218 56.458 56.287 -0.080 0.000 0.956 285 K CB 0.398 32.851 32.500 -0.078 0.000 0.990 285 K HN 0.523 nan 8.250 nan 0.000 0.475 286 A N 3.635 126.210 122.820 -0.409 0.000 2.301 286 A HA 0.343 4.702 4.320 0.065 0.000 0.298 286 A C -0.582 176.685 177.584 -0.529 0.000 1.185 286 A CA -0.386 51.243 52.037 -0.681 0.000 0.830 286 A CB 0.843 18.956 19.000 -1.478 0.000 1.112 286 A HN 0.716 nan 8.150 nan 0.000 0.508 287 T N 2.578 116.862 114.554 -0.450 0.000 2.829 287 T HA 0.539 4.927 4.350 0.065 0.000 0.280 287 T C -0.510 173.965 174.700 -0.374 0.000 0.999 287 T CA -0.087 61.798 62.100 -0.358 0.000 0.983 287 T CB 0.472 69.224 68.868 -0.194 0.000 0.968 287 T HN 0.338 nan 8.240 nan 0.000 0.446 288 F N 1.990 121.847 119.950 -0.154 0.000 2.471 288 F HA 0.508 5.073 4.527 0.064 0.000 0.353 288 F C 0.578 176.263 175.800 -0.191 0.000 1.113 288 F CA -0.406 57.498 58.000 -0.159 0.000 1.262 288 F CB 0.618 39.547 39.000 -0.118 0.000 1.146 288 F HN 0.191 nan 8.300 nan 0.000 0.578 289 V N 4.579 124.457 119.914 -0.061 0.000 2.888 289 V HA 0.610 4.768 4.120 0.065 0.000 0.309 289 V C -0.993 174.892 176.094 -0.348 0.000 1.114 289 V CA -0.745 61.370 62.300 -0.308 0.000 0.940 289 V CB 2.099 33.506 31.823 -0.692 0.000 1.021 289 V HN 0.781 nan 8.190 nan 0.000 0.426 290 R N 4.533 124.872 120.500 -0.268 0.000 2.670 290 R HA 0.573 4.952 4.340 0.065 0.000 0.289 290 R C -1.652 174.576 176.300 -0.121 0.000 0.965 290 R CA -0.489 55.491 56.100 -0.199 0.000 0.899 290 R CB 2.166 32.475 30.300 0.015 0.000 1.173 290 R HN 0.601 nan 8.270 nan 0.000 0.456 291 F N 1.924 121.929 119.950 0.091 0.000 2.385 291 F HA 0.377 4.942 4.527 0.064 0.000 0.336 291 F C 0.932 176.684 175.800 -0.080 0.000 1.100 291 F CA -0.097 57.925 58.000 0.036 0.000 1.116 291 F CB 0.901 39.809 39.000 -0.154 0.000 1.166 291 F HN 0.185 nan 8.300 nan 0.000 0.511 292 H N 0.863 119.927 119.070 -0.010 0.000 2.768 292 H HA 0.247 4.842 4.556 0.065 0.000 0.371 292 H C -1.583 173.504 175.328 -0.402 0.000 1.151 292 H CA -1.002 54.924 56.048 -0.204 0.000 1.165 292 H CB 1.992 31.727 29.762 -0.044 0.000 1.722 292 H HN 0.677 nan 8.280 nan 0.000 0.543 293 W N 2.372 123.548 121.300 -0.207 0.000 2.600 293 W HA 0.313 5.011 4.660 0.063 0.000 0.325 293 W C -0.120 176.430 176.519 0.052 0.000 1.034 293 W CA -0.774 56.519 57.345 -0.088 0.000 1.226 293 W CB 1.754 30.996 29.460 -0.364 0.000 1.379 293 W HN 0.303 nan 8.180 nan 0.000 0.466 294 K N 5.725 126.398 120.400 0.454 0.000 2.213 294 K HA 0.398 4.757 4.320 0.065 0.000 0.270 294 K C -2.407 174.426 176.600 0.388 0.000 1.002 294 K CA -1.867 54.623 56.287 0.338 0.000 0.868 294 K CB 1.390 34.039 32.500 0.248 0.000 1.093 294 K HN 0.036 nan 8.250 nan 0.000 0.454 295 P HA 0.057 nan 4.420 nan 0.000 0.281 295 P C 0.393 177.704 177.300 0.019 0.000 1.286 295 P CA -0.127 63.046 63.100 0.121 0.000 0.772 295 P CB 0.766 32.550 31.700 0.141 0.000 0.862 296 L N 2.666 123.845 121.223 -0.072 0.000 2.362 296 L HA -0.094 4.285 4.340 0.065 0.000 0.219 296 L C 2.112 178.963 176.870 -0.032 0.000 1.134 296 L CA 1.179 56.008 54.840 -0.017 0.000 0.807 296 L CB -0.632 41.426 42.059 -0.001 0.000 0.927 296 L HN 0.348 nan 8.230 nan 0.000 0.447 297 A N -0.024 122.749 122.820 -0.079 0.000 2.251 297 A HA 0.431 4.790 4.320 0.065 0.000 0.209 297 A C 1.225 178.807 177.584 -0.003 0.000 1.187 297 A CA 0.620 52.629 52.037 -0.047 0.000 0.823 297 A CB -0.333 18.621 19.000 -0.077 0.000 0.846 297 A HN 0.453 nan 8.150 nan 0.000 0.486 298 G N -0.623 108.189 108.800 0.021 0.000 2.712 298 G HA2 -0.121 3.878 3.960 0.065 0.000 0.683 298 G HA3 -0.121 3.878 3.960 0.065 0.000 0.683 298 G C -0.663 174.271 174.900 0.057 0.000 1.320 298 G CA -0.506 44.627 45.100 0.055 0.000 0.847 298 G HN 0.425 nan 8.290 nan 0.000 0.553 299 K N 0.210 120.652 120.400 0.070 0.000 2.183 299 K HA 0.717 5.076 4.320 0.065 0.000 0.274 299 K C 0.211 176.822 176.600 0.018 0.000 1.009 299 K CA 0.218 56.534 56.287 0.049 0.000 0.888 299 K CB 1.703 34.220 32.500 0.029 0.000 1.078 299 K HN 1.401 nan 8.250 nan 0.000 0.459 300 A N 1.775 124.588 122.820 -0.011 0.000 2.566 300 A HA 0.623 4.982 4.320 0.065 0.000 0.297 300 A C -1.168 176.458 177.584 0.070 0.000 1.059 300 A CA -0.656 51.320 52.037 -0.100 0.000 0.691 300 A CB 1.834 20.542 19.000 -0.487 0.000 1.282 300 A HN 0.505 nan 8.150 nan 0.000 0.401 301 S N 0.498 116.390 115.700 0.320 0.000 2.595 301 S HA 0.714 5.223 4.470 0.065 0.000 0.281 301 S C -0.102 174.820 174.600 0.537 0.000 1.117 301 S CA -0.604 57.829 58.200 0.389 0.000 0.873 301 S CB 1.178 64.602 63.200 0.372 0.000 1.108 301 S HN 0.653 nan 8.310 nan 0.000 0.477 302 L N 1.526 122.957 121.223 0.346 0.000 2.470 302 L HA 0.453 4.831 4.340 0.065 0.000 0.243 302 L C 0.210 177.206 176.870 0.209 0.000 1.227 302 L CA -0.652 54.313 54.840 0.208 0.000 0.824 302 L CB 0.059 42.158 42.059 0.066 0.000 1.175 302 L HN 0.490 nan 8.230 nan 0.000 0.503 303 V N -2.913 117.019 119.914 0.031 0.000 2.850 303 V HA 0.173 4.332 4.120 0.065 0.000 0.315 303 V C 0.684 176.728 176.094 -0.085 0.000 1.064 303 V CA -0.796 61.492 62.300 -0.020 0.000 0.979 303 V CB 1.617 33.396 31.823 -0.073 0.000 1.039 303 V HN 0.950 nan 8.190 nan 0.000 0.452 304 W N 1.995 123.167 121.300 -0.213 0.000 2.335 304 W HA -0.214 4.485 4.660 0.064 0.000 0.311 304 W C 1.749 178.116 176.519 -0.253 0.000 1.213 304 W CA 2.495 59.709 57.345 -0.218 0.000 1.274 304 W CB -0.090 29.225 29.460 -0.241 0.000 1.148 304 W HN 1.000 nan 8.180 nan 0.000 0.498 305 D N 0.260 120.375 120.400 -0.474 0.000 2.144 305 D HA -0.290 4.389 4.640 0.065 0.000 0.199 305 D C 2.150 178.111 176.300 -0.566 0.000 0.984 305 D CA 2.116 55.804 54.000 -0.521 0.000 0.834 305 D CB -0.467 40.273 40.800 -0.100 0.000 0.955 305 D HN 0.382 nan 8.370 nan 0.000 0.465 306 E N -0.308 119.436 120.200 -0.759 0.000 2.047 306 E HA -0.201 4.188 4.350 0.065 0.000 0.191 306 E C 2.057 178.329 176.600 -0.546 0.000 0.987 306 E CA 1.032 56.932 56.400 -0.834 0.000 0.799 306 E CB -0.246 28.800 29.700 -1.090 0.000 0.752 306 E HN 0.300 nan 8.360 nan 0.000 0.449 307 A N 1.359 123.886 122.820 -0.489 0.000 1.883 307 A HA -0.291 4.068 4.320 0.065 0.000 0.217 307 A C 2.214 179.484 177.584 -0.522 0.000 1.186 307 A CA 1.987 53.786 52.037 -0.396 0.000 0.624 307 A CB -0.824 18.058 19.000 -0.196 0.000 0.822 307 A HN 0.481 nan 8.150 nan 0.000 0.444 308 Q N -0.568 118.701 119.800 -0.885 0.000 2.079 308 Q HA -0.198 4.181 4.340 0.065 0.000 0.200 308 Q C 2.190 177.912 176.000 -0.463 0.000 0.974 308 Q CA 1.870 57.164 55.803 -0.848 0.000 0.840 308 Q CB -0.164 27.735 28.738 -1.399 0.000 0.898 308 Q HN 0.679 nan 8.270 nan 0.000 0.430 309 K N 0.001 120.151 120.400 -0.415 0.000 2.147 309 K HA -0.150 4.209 4.320 0.065 0.000 0.205 309 K C 2.023 178.486 176.600 -0.228 0.000 1.049 309 K CA 0.726 56.863 56.287 -0.250 0.000 0.936 309 K CB -0.017 32.382 32.500 -0.168 0.000 0.722 309 K HN 0.183 nan 8.250 nan 0.000 0.446 310 L N 1.286 122.335 121.223 -0.290 0.000 2.217 310 L HA -0.097 4.282 4.340 0.065 0.000 0.211 310 L C 2.149 178.896 176.870 -0.205 0.000 1.107 310 L CA 2.012 56.685 54.840 -0.279 0.000 0.783 310 L CB -0.834 40.982 42.059 -0.406 0.000 0.919 310 L HN 0.310 nan 8.230 nan 0.000 0.442 311 T N -4.362 110.073 114.554 -0.198 0.000 2.881 311 T HA -0.065 4.324 4.350 0.065 0.000 0.270 311 T C 1.818 176.461 174.700 -0.095 0.000 1.068 311 T CA 1.001 63.024 62.100 -0.128 0.000 1.131 311 T CB -0.840 67.965 68.868 -0.105 0.000 0.871 311 T HN 0.368 nan 8.240 nan 0.000 0.479 312 G N 0.947 109.684 108.800 -0.105 0.000 2.490 312 G HA2 0.028 4.027 3.960 0.065 0.000 0.211 312 G HA3 0.028 4.027 3.960 0.065 0.000 0.211 312 G C 1.898 176.758 174.900 -0.067 0.000 1.159 312 G CA -0.321 44.733 45.100 -0.077 0.000 0.819 312 G HN 0.296 nan 8.290 nan 0.000 0.539 313 R N 0.299 120.750 120.500 -0.082 0.000 2.115 313 R HA 0.037 4.416 4.340 0.065 0.000 0.226 313 R C -0.168 176.108 176.300 -0.041 0.000 1.100 313 R CA 0.828 56.891 56.100 -0.062 0.000 0.980 313 R CB -0.189 30.065 30.300 -0.078 0.000 0.875 313 R HN 0.330 nan 8.270 nan 0.000 0.445 314 D N -0.469 119.903 120.400 -0.047 0.000 2.411 314 D HA 0.140 4.819 4.640 0.065 0.000 0.239 314 D C -2.105 174.199 176.300 0.007 0.000 1.307 314 D CA -1.768 52.237 54.000 0.008 0.000 0.930 314 D CB 1.352 42.203 40.800 0.085 0.000 1.395 314 D HN -0.141 nan 8.370 nan 0.000 0.536 315 P HA -0.006 nan 4.420 nan 0.000 0.228 315 P C -0.000 177.305 177.300 0.008 0.000 1.151 315 P CA 0.651 63.742 63.100 -0.017 0.000 0.770 315 P CB 0.498 32.185 31.700 -0.021 0.000 0.786 316 D N -1.450 118.966 120.400 0.027 0.000 2.463 316 D HA 0.072 4.751 4.640 0.065 0.000 0.224 316 D C 1.208 177.537 176.300 0.047 0.000 1.174 316 D CA -0.434 53.584 54.000 0.031 0.000 0.829 316 D CB -0.521 40.276 40.800 -0.006 0.000 0.993 316 D HN 0.131 nan 8.370 nan 0.000 0.497 317 F N 1.287 121.180 119.950 -0.095 0.000 2.095 317 F HA -0.225 4.341 4.527 0.065 0.000 0.298 317 F C 2.073 177.852 175.800 -0.036 0.000 1.104 317 F CA 1.858 59.799 58.000 -0.098 0.000 1.232 317 F CB 0.084 38.974 39.000 -0.184 0.000 0.987 317 F HN 0.086 nan 8.300 nan 0.000 0.475 318 H N -1.129 117.837 119.070 -0.172 0.000 2.363 318 H HA -0.074 4.520 4.556 0.065 0.000 0.301 318 H C 2.391 177.628 175.328 -0.151 0.000 1.074 318 H CA 0.885 56.707 56.048 -0.377 0.000 1.354 318 H CB -0.151 29.216 29.762 -0.658 0.000 1.397 318 H HN 0.148 nan 8.280 nan 0.000 0.516 319 R N 1.268 121.874 120.500 0.177 0.000 2.096 319 R HA -0.189 4.190 4.340 0.065 0.000 0.240 319 R C 2.461 178.863 176.300 0.171 0.000 1.139 319 R CA 1.757 58.005 56.100 0.245 0.000 0.952 319 R CB -0.082 30.346 30.300 0.214 0.000 0.854 319 R HN 0.220 nan 8.270 nan 0.000 0.436 320 R N 0.251 120.770 120.500 0.031 0.000 2.062 320 R HA -0.134 4.245 4.340 0.065 0.000 0.231 320 R C 2.198 178.495 176.300 -0.005 0.000 1.136 320 R CA 1.661 57.764 56.100 0.004 0.000 0.948 320 R CB -0.307 29.957 30.300 -0.059 0.000 0.845 320 R HN 0.266 nan 8.270 nan 0.000 0.430 321 E N 0.701 120.779 120.200 -0.203 0.000 2.118 321 E HA -0.214 4.175 4.350 0.065 0.000 0.195 321 E C 1.984 178.555 176.600 -0.048 0.000 0.992 321 E CA 1.250 57.514 56.400 -0.227 0.000 0.804 321 E CB -0.039 29.351 29.700 -0.517 0.000 0.741 321 E HN 0.301 nan 8.360 nan 0.000 0.458 322 L N 0.389 121.633 121.223 0.035 0.000 2.044 322 L HA -0.101 4.278 4.340 0.065 0.000 0.205 322 L C 2.226 179.198 176.870 0.171 0.000 1.075 322 L CA 1.638 56.539 54.840 0.102 0.000 0.747 322 L CB -0.839 41.340 42.059 0.201 0.000 0.903 322 L HN 0.261 nan 8.230 nan 0.000 0.435 323 W N 1.104 122.438 121.300 0.056 0.000 2.335 323 W HA -0.216 4.483 4.660 0.064 0.000 0.311 323 W C 2.153 178.702 176.519 0.051 0.000 1.213 323 W CA 2.229 59.620 57.345 0.076 0.000 1.274 323 W CB -0.121 29.387 29.460 0.079 0.000 1.148 323 W HN 0.359 nan 8.180 nan 0.000 0.498 324 E N -0.142 120.234 120.200 0.292 0.000 2.204 324 E HA -0.123 4.266 4.350 0.065 0.000 0.194 324 E C 2.328 178.960 176.600 0.054 0.000 0.989 324 E CA 1.008 57.500 56.400 0.153 0.000 0.824 324 E CB -0.272 29.473 29.700 0.075 0.000 0.756 324 E HN 0.191 nan 8.360 nan 0.000 0.477 325 A N 1.154 124.005 122.820 0.052 0.000 1.898 325 A HA -0.135 4.224 4.320 0.065 0.000 0.216 325 A C 2.138 179.755 177.584 0.054 0.000 1.181 325 A CA 0.877 52.937 52.037 0.038 0.000 0.620 325 A CB -0.444 18.579 19.000 0.038 0.000 0.819 325 A HN 0.116 nan 8.150 nan 0.000 0.442 326 I N -0.320 120.301 120.570 0.085 0.000 2.226 326 I HA -0.244 3.965 4.170 0.065 0.000 0.245 326 I C 2.437 178.637 176.117 0.138 0.000 1.100 326 I CA 1.432 62.836 61.300 0.174 0.000 1.374 326 I CB -0.395 37.631 38.000 0.042 0.000 1.057 326 I HN 0.418 nan 8.210 nan 0.000 0.413 327 E N 0.769 120.996 120.200 0.045 0.000 2.153 327 E HA -0.196 4.193 4.350 0.065 0.000 0.194 327 E C 2.119 178.741 176.600 0.037 0.000 0.988 327 E CA 1.224 57.662 56.400 0.063 0.000 0.811 327 E CB -0.099 29.669 29.700 0.114 0.000 0.746 327 E HN 0.513 nan 8.360 nan 0.000 0.466 328 A N 0.046 122.860 122.820 -0.010 0.000 2.208 328 A HA 0.213 4.572 4.320 0.065 0.000 0.209 328 A C 1.787 179.303 177.584 -0.114 0.000 1.161 328 A CA 0.918 52.925 52.037 -0.050 0.000 0.782 328 A CB -0.132 18.814 19.000 -0.089 0.000 0.816 328 A HN 0.334 nan 8.150 nan 0.000 0.477 329 G N -0.326 108.322 108.800 -0.253 0.000 2.159 329 G HA2 -0.217 3.781 3.960 0.065 0.000 0.256 329 G HA3 -0.217 3.781 3.960 0.065 0.000 0.256 329 G C -0.177 174.223 174.900 -0.834 0.000 0.977 329 G CA 0.283 44.899 45.100 -0.806 0.000 0.652 329 G HN 0.464 nan 8.290 nan 0.000 0.531 330 D N 0.899 121.091 120.400 -0.347 0.000 2.801 330 D HA 0.268 4.947 4.640 0.065 0.000 0.232 330 D C 0.775 177.033 176.300 -0.071 0.000 1.128 330 D CA -0.098 53.799 54.000 -0.172 0.000 1.003 330 D CB -0.697 40.099 40.800 -0.008 0.000 1.110 330 D HN 0.439 nan 8.370 nan 0.000 0.477 331 F N 1.304 121.259 119.950 0.008 0.000 2.578 331 F HA 0.093 4.659 4.527 0.065 0.000 0.376 331 F C -1.371 174.404 175.800 -0.042 0.000 1.085 331 F CA -1.926 56.071 58.000 -0.005 0.000 1.260 331 F CB 0.151 39.159 39.000 0.012 0.000 1.095 331 F HN -0.111 nan 8.300 nan 0.000 0.573 332 P HA 0.038 nan 4.420 nan 0.000 0.267 332 P C -1.169 176.076 177.300 -0.091 0.000 1.209 332 P CA 0.341 63.427 63.100 -0.023 0.000 0.763 332 P CB 0.476 32.245 31.700 0.115 0.000 0.816 333 E N 2.356 122.365 120.200 -0.319 0.000 2.256 333 E HA 0.531 4.920 4.350 0.065 0.000 0.267 333 E C -1.042 175.255 176.600 -0.505 0.000 0.892 333 E CA -0.594 55.675 56.400 -0.218 0.000 0.775 333 E CB 1.582 31.255 29.700 -0.045 0.000 1.207 333 E HN 0.374 nan 8.360 nan 0.000 0.420 334 Y N 0.103 120.484 120.300 0.137 0.000 2.504 334 Y HA 0.245 4.834 4.550 0.066 0.000 0.344 334 Y C -0.451 175.698 175.900 0.414 0.000 1.023 334 Y CA -0.993 57.265 58.100 0.263 0.000 1.020 334 Y CB 2.112 40.701 38.460 0.215 0.000 1.282 334 Y HN 0.475 nan 8.280 nan 0.000 0.454 335 E N 2.907 123.459 120.200 0.587 0.000 2.134 335 E HA 0.402 4.791 4.350 0.065 0.000 0.278 335 E C -1.512 175.368 176.600 0.466 0.000 0.959 335 E CA -0.947 55.739 56.400 0.476 0.000 0.783 335 E CB 1.043 30.955 29.700 0.354 0.000 1.095 335 E HN 0.602 nan 8.360 nan 0.000 0.399 336 L N 4.333 125.749 121.223 0.323 0.000 2.416 336 L HA 0.509 4.888 4.340 0.065 0.000 0.272 336 L C -0.043 176.752 176.870 -0.125 0.000 1.161 336 L CA 0.638 55.363 54.840 -0.191 0.000 0.845 336 L CB 1.065 42.948 42.059 -0.295 0.000 1.119 336 L HN 0.594 nan 8.230 nan 0.000 0.464 337 G N 4.275 113.007 108.800 -0.114 0.000 2.612 337 G HA2 0.580 4.579 3.960 0.065 0.000 0.298 337 G HA3 0.580 4.579 3.960 0.065 0.000 0.298 337 G C -1.645 173.345 174.900 0.151 0.000 1.336 337 G CA -0.515 44.553 45.100 -0.054 0.000 0.953 337 G HN 0.465 nan 8.290 nan 0.000 0.482 338 F N 0.149 120.106 119.950 0.012 0.000 2.507 338 F HA 0.384 4.950 4.527 0.066 0.000 0.325 338 F C 0.371 176.152 175.800 -0.032 0.000 1.116 338 F CA -1.003 57.002 58.000 0.009 0.000 0.930 338 F CB 2.605 41.596 39.000 -0.016 0.000 1.146 338 F HN 0.144 nan 8.300 nan 0.000 0.447 339 Q N 4.242 124.149 119.800 0.177 0.000 2.296 339 Q HA 0.468 4.847 4.340 0.065 0.000 0.257 339 Q C -1.038 175.006 176.000 0.073 0.000 0.942 339 Q CA -0.375 55.483 55.803 0.092 0.000 0.939 339 Q CB 1.891 30.691 28.738 0.104 0.000 1.198 339 Q HN 0.524 nan 8.270 nan 0.000 0.429 340 L N 4.566 125.839 121.223 0.083 0.000 2.313 340 L HA 0.581 4.960 4.340 0.065 0.000 0.283 340 L C -0.537 176.388 176.870 0.091 0.000 1.013 340 L CA -0.560 54.317 54.840 0.063 0.000 0.816 340 L CB 1.219 43.322 42.059 0.073 0.000 1.236 340 L HN 0.510 nan 8.230 nan 0.000 0.419 341 I N 4.649 125.289 120.570 0.116 0.000 2.447 341 I HA 0.357 4.566 4.170 0.065 0.000 0.287 341 I C -2.266 173.963 176.117 0.186 0.000 1.023 341 I CA -2.066 59.346 61.300 0.186 0.000 1.083 341 I CB 2.322 40.459 38.000 0.229 0.000 1.245 341 I HN 0.289 nan 8.210 nan 0.000 0.434 342 P HA 0.042 nan 4.420 nan 0.000 0.272 342 P C 0.552 177.915 177.300 0.105 0.000 1.230 342 P CA -0.082 63.050 63.100 0.054 0.000 0.788 342 P CB 0.973 32.699 31.700 0.045 0.000 0.949 343 E N 1.560 121.735 120.200 -0.043 0.000 2.160 343 E HA -0.232 4.157 4.350 0.065 0.000 0.195 343 E C 1.404 178.103 176.600 0.165 0.000 0.991 343 E CA 1.050 57.427 56.400 -0.039 0.000 0.810 343 E CB -0.000 29.594 29.700 -0.176 0.000 0.742 343 E HN 0.479 nan 8.360 nan 0.000 0.466 344 E N 0.138 120.406 120.200 0.113 0.000 2.478 344 E HA -0.160 4.228 4.350 0.065 0.000 0.198 344 E C 0.322 177.006 176.600 0.140 0.000 1.046 344 E CA 0.762 57.239 56.400 0.127 0.000 0.870 344 E CB 0.102 29.849 29.700 0.079 0.000 0.818 344 E HN 0.224 nan 8.360 nan 0.000 0.527 345 D N 1.214 121.704 120.400 0.150 0.000 2.368 345 D HA -0.000 4.679 4.640 0.065 0.000 0.218 345 D C 1.328 177.703 176.300 0.124 0.000 1.112 345 D CA 0.013 54.080 54.000 0.112 0.000 0.834 345 D CB 0.223 41.089 40.800 0.110 0.000 0.953 345 D HN 0.413 nan 8.370 nan 0.000 0.505 346 E N -0.220 120.037 120.200 0.094 0.000 2.130 346 E HA -0.198 4.191 4.350 0.065 0.000 0.196 346 E C 0.523 176.875 176.600 -0.413 0.000 0.998 346 E CA 1.119 57.373 56.400 -0.243 0.000 0.806 346 E CB 0.019 29.474 29.700 -0.408 0.000 0.738 346 E HN 0.258 nan 8.360 nan 0.000 0.459 347 F N -0.330 119.636 119.950 0.028 0.000 2.653 347 F HA 0.280 4.845 4.527 0.065 0.000 0.304 347 F C 1.442 177.191 175.800 -0.084 0.000 1.092 347 F CA -0.259 57.732 58.000 -0.016 0.000 1.279 347 F CB 0.578 39.573 39.000 -0.008 0.000 1.044 347 F HN -0.179 nan 8.300 nan 0.000 0.564 348 K N 0.082 120.452 120.400 -0.051 0.000 2.525 348 K HA 0.073 4.432 4.320 0.065 0.000 0.192 348 K C -0.248 175.973 176.600 -0.631 0.000 1.029 348 K CA 0.481 56.562 56.287 -0.342 0.000 1.029 348 K CB 0.100 32.349 32.500 -0.419 0.000 0.814 348 K HN 0.131 nan 8.250 nan 0.000 0.503 349 F N 0.462 120.251 119.950 -0.270 0.000 2.509 349 F HA 0.088 4.655 4.527 0.065 0.000 0.334 349 F C 1.193 176.777 175.800 -0.361 0.000 1.060 349 F CA -1.369 56.362 58.000 -0.447 0.000 0.997 349 F CB 0.657 39.007 39.000 -1.084 0.000 1.271 349 F HN -0.048 nan 8.300 nan 0.000 0.488 350 D N -0.476 119.901 120.400 -0.038 0.000 2.328 350 D HA 0.037 4.716 4.640 0.065 0.000 0.226 350 D C -0.358 176.024 176.300 0.137 0.000 1.066 350 D CA 0.176 54.214 54.000 0.064 0.000 0.861 350 D CB -0.866 40.005 40.800 0.118 0.000 0.912 350 D HN 0.238 nan 8.370 nan 0.000 0.521 351 F N -1.590 118.443 119.950 0.138 0.000 2.618 351 F HA 0.534 5.100 4.527 0.064 0.000 0.332 351 F C -0.122 175.658 175.800 -0.032 0.000 1.061 351 F CA -1.759 56.240 58.000 -0.001 0.000 0.974 351 F CB 0.790 39.743 39.000 -0.080 0.000 1.310 351 F HN -0.340 nan 8.300 nan 0.000 0.491 352 D N 1.603 122.015 120.400 0.020 0.000 2.312 352 D HA 0.184 4.863 4.640 0.065 0.000 0.252 352 D C 1.056 177.284 176.300 -0.119 0.000 1.150 352 D CA -0.021 53.927 54.000 -0.088 0.000 0.870 352 D CB 1.460 42.214 40.800 -0.076 0.000 1.153 352 D HN 0.731 nan 8.370 nan 0.000 0.457 353 L N 3.469 124.554 121.223 -0.229 0.000 2.261 353 L HA -0.146 4.233 4.340 0.065 0.000 0.216 353 L C 1.913 178.641 176.870 -0.237 0.000 1.114 353 L CA 0.761 55.447 54.840 -0.257 0.000 0.777 353 L CB -0.047 41.715 42.059 -0.494 0.000 0.910 353 L HN 0.468 nan 8.230 nan 0.000 0.440 354 L N -1.148 119.957 121.223 -0.197 0.000 2.592 354 L HA 0.086 4.465 4.340 0.065 0.000 0.227 354 L C 0.385 177.190 176.870 -0.107 0.000 1.127 354 L CA -0.191 54.605 54.840 -0.073 0.000 0.884 354 L CB -0.177 41.949 42.059 0.112 0.000 1.065 354 L HN 0.070 nan 8.230 nan 0.000 0.457 355 D N 2.050 122.135 120.400 -0.525 0.000 2.339 355 D HA 0.113 4.792 4.640 0.065 0.000 0.241 355 D C -1.623 174.456 176.300 -0.370 0.000 1.183 355 D CA -2.124 51.329 54.000 -0.911 0.000 0.859 355 D CB 1.581 41.607 40.800 -1.291 0.000 1.067 355 D HN -0.046 nan 8.370 nan 0.000 0.484 356 P HA -0.002 nan 4.420 nan 0.000 0.249 356 P C 0.881 178.098 177.300 -0.138 0.000 1.229 356 P CA 0.386 63.427 63.100 -0.099 0.000 0.788 356 P CB -0.019 31.714 31.700 0.056 0.000 1.072 357 T N -4.008 110.456 114.554 -0.149 0.000 3.148 357 T HA 0.109 4.498 4.350 0.065 0.000 0.253 357 T C 0.780 175.393 174.700 -0.145 0.000 1.134 357 T CA 0.169 62.186 62.100 -0.138 0.000 1.051 357 T CB -0.283 68.547 68.868 -0.064 0.000 0.959 357 T HN -0.152 nan 8.240 nan 0.000 0.525 358 K N 1.924 122.143 120.400 -0.302 0.000 2.221 358 K HA 0.584 4.943 4.320 0.065 0.000 0.258 358 K C -0.320 176.092 176.600 -0.313 0.000 0.944 358 K CA -0.937 55.041 56.287 -0.515 0.000 0.823 358 K CB 2.034 34.099 32.500 -0.724 0.000 1.113 358 K HN 0.307 nan 8.250 nan 0.000 0.431 359 L N -0.355 120.815 121.223 -0.087 0.000 2.358 359 L HA 0.671 5.050 4.340 0.065 0.000 0.268 359 L C -0.064 176.625 176.870 -0.301 0.000 1.032 359 L CA -0.550 54.202 54.840 -0.146 0.000 0.805 359 L CB 0.413 42.469 42.059 -0.005 0.000 1.253 359 L HN 0.439 nan 8.230 nan 0.000 0.452 360 I N 1.376 121.861 120.570 -0.141 0.000 2.330 360 I HA 0.402 4.611 4.170 0.065 0.000 0.289 360 I C -2.165 173.974 176.117 0.037 0.000 1.001 360 I CA -1.696 59.570 61.300 -0.056 0.000 1.193 360 I CB 1.504 39.498 38.000 -0.009 0.000 1.345 360 I HN 0.447 nan 8.210 nan 0.000 0.461 361 P HA 0.114 nan 4.420 nan 0.000 0.271 361 P C 0.172 177.546 177.300 0.123 0.000 1.216 361 P CA -0.148 63.005 63.100 0.088 0.000 0.771 361 P CB 0.667 32.411 31.700 0.073 0.000 0.864 362 E N 1.656 121.936 120.200 0.132 0.000 2.204 362 E HA -0.198 4.191 4.350 0.065 0.000 0.195 362 E C 1.336 177.994 176.600 0.097 0.000 0.990 362 E CA 0.815 57.281 56.400 0.110 0.000 0.821 362 E CB -0.062 29.702 29.700 0.107 0.000 0.750 362 E HN 0.513 nan 8.360 nan 0.000 0.477 363 E N 0.431 120.688 120.200 0.095 0.000 2.209 363 E HA -0.159 4.230 4.350 0.065 0.000 0.196 363 E C 2.026 178.691 176.600 0.109 0.000 0.993 363 E CA 0.803 57.255 56.400 0.086 0.000 0.819 363 E CB 0.056 29.799 29.700 0.072 0.000 0.745 363 E HN 0.392 nan 8.360 nan 0.000 0.477 364 L N -0.402 120.911 121.223 0.150 0.000 2.221 364 L HA 0.059 4.438 4.340 0.065 0.000 0.202 364 L C 0.636 177.634 176.870 0.213 0.000 1.074 364 L CA 0.405 55.372 54.840 0.212 0.000 0.795 364 L CB 0.494 42.756 42.059 0.339 0.000 0.960 364 L HN -0.199 nan 8.230 nan 0.000 0.458 365 V N 1.682 121.702 119.914 0.177 0.000 2.445 365 V HA 0.301 4.460 4.120 0.065 0.000 0.283 365 V C -2.350 173.798 176.094 0.089 0.000 1.014 365 V CA -1.405 60.983 62.300 0.145 0.000 0.852 365 V CB 1.550 33.463 31.823 0.150 0.000 1.021 365 V HN -0.019 nan 8.190 nan 0.000 0.435 366 P HA 0.175 nan 4.420 nan 0.000 0.272 366 P C -0.266 177.034 177.300 -0.000 0.000 1.223 366 P CA 0.020 63.142 63.100 0.037 0.000 0.784 366 P CB 1.378 33.102 31.700 0.040 0.000 0.923 367 V N 3.351 123.229 119.914 -0.059 0.000 2.470 367 V HA 0.067 4.226 4.120 0.065 0.000 0.276 367 V C 0.941 177.017 176.094 -0.030 0.000 1.040 367 V CA 0.114 62.340 62.300 -0.122 0.000 1.008 367 V CB 0.166 31.830 31.823 -0.264 0.000 0.990 367 V HN 0.572 nan 8.190 nan 0.000 0.477 368 Q N 5.921 125.722 119.800 0.003 0.000 2.274 368 Q HA 0.341 4.720 4.340 0.065 0.000 0.256 368 Q C 0.297 176.285 176.000 -0.020 0.000 0.927 368 Q CA -0.820 54.989 55.803 0.010 0.000 0.939 368 Q CB 0.801 29.558 28.738 0.031 0.000 1.201 368 Q HN 0.827 nan 8.270 nan 0.000 0.426 369 R N 1.919 122.437 120.500 0.031 0.000 2.537 369 R HA 0.126 4.505 4.340 0.065 0.000 0.280 369 R C -0.397 175.946 176.300 0.072 0.000 1.058 369 R CA -0.394 55.771 56.100 0.110 0.000 1.057 369 R CB 0.674 31.102 30.300 0.214 0.000 0.973 369 R HN 0.459 nan 8.270 nan 0.000 0.438 370 V N 1.609 121.479 119.914 -0.073 0.000 3.137 370 V HA 0.354 4.513 4.120 0.065 0.000 0.236 370 V C 0.802 176.658 176.094 -0.397 0.000 1.260 370 V CA 1.064 63.195 62.300 -0.281 0.000 1.244 370 V CB 0.855 32.242 31.823 -0.727 0.000 1.016 370 V HN 1.070 nan 8.190 nan 0.000 0.477 371 G N -0.303 108.159 108.800 -0.563 0.000 2.428 371 G HA2 0.478 4.477 3.960 0.065 0.000 0.304 371 G HA3 0.478 4.477 3.960 0.065 0.000 0.304 371 G C -1.848 172.689 174.900 -0.605 0.000 1.303 371 G CA -0.513 43.883 45.100 -1.173 0.000 0.825 371 G HN 0.064 nan 8.290 nan 0.000 0.484 372 K N -0.353 119.731 120.400 -0.525 0.000 2.324 372 K HA 0.726 5.085 4.320 0.065 0.000 0.253 372 K C -0.847 175.804 176.600 0.084 0.000 0.932 372 K CA -0.752 55.525 56.287 -0.017 0.000 0.799 372 K CB 1.977 34.508 32.500 0.051 0.000 1.154 372 K HN 0.592 nan 8.250 nan 0.000 0.425 373 M N 4.585 124.370 119.600 0.308 0.000 2.383 373 M HA 0.426 4.945 4.480 0.065 0.000 0.325 373 M C -1.755 174.545 176.300 -0.000 0.000 1.092 373 M CA -0.772 54.651 55.300 0.205 0.000 0.961 373 M CB 1.765 34.526 32.600 0.268 0.000 1.672 373 M HN 0.362 nan 8.290 nan 0.000 0.438 374 V N 6.199 125.942 119.914 -0.285 0.000 2.531 374 V HA 0.432 4.591 4.120 0.065 0.000 0.301 374 V C -0.657 175.304 176.094 -0.222 0.000 1.034 374 V CA -0.699 61.443 62.300 -0.264 0.000 0.865 374 V CB 1.852 33.393 31.823 -0.470 0.000 0.995 374 V HN 0.807 nan 8.190 nan 0.000 0.424 375 L N 5.638 126.820 121.223 -0.068 0.000 2.255 375 L HA 0.491 4.870 4.340 0.065 0.000 0.289 375 L C 0.507 177.280 176.870 -0.162 0.000 1.046 375 L CA -0.273 54.522 54.840 -0.074 0.000 0.816 375 L CB 0.840 42.903 42.059 0.005 0.000 1.197 375 L HN 0.861 nan 8.230 nan 0.000 0.427 376 N N 2.585 121.099 118.700 -0.311 0.000 2.194 376 N HA 0.155 4.934 4.740 0.065 0.000 0.231 376 N C -0.065 175.236 175.510 -0.349 0.000 1.247 376 N CA -0.402 52.199 53.050 -0.747 0.000 0.884 376 N CB 0.776 38.517 38.487 -1.243 0.000 1.146 376 N HN 0.469 nan 8.380 nan 0.000 0.516 377 R N 0.047 120.463 120.500 -0.140 0.000 2.561 377 R HA 0.318 4.697 4.340 0.065 0.000 0.266 377 R C -1.324 174.924 176.300 -0.087 0.000 1.091 377 R CA -0.579 55.463 56.100 -0.096 0.000 0.927 377 R CB 1.366 31.621 30.300 -0.075 0.000 1.240 377 R HN 0.055 nan 8.270 nan 0.000 0.449 378 N N 2.980 121.514 118.700 -0.277 0.000 2.483 378 N HA 0.316 5.095 4.740 0.065 0.000 0.269 378 N C -2.279 173.147 175.510 -0.140 0.000 1.209 378 N CA -1.247 51.489 53.050 -0.524 0.000 0.969 378 N CB 0.759 38.272 38.487 -1.624 0.000 1.173 378 N HN 0.324 nan 8.380 nan 0.000 0.475 379 P HA 0.092 nan 4.420 nan 0.000 0.274 379 P C 0.091 177.565 177.300 0.290 0.000 1.260 379 P CA -0.067 63.211 63.100 0.296 0.000 0.793 379 P CB 1.089 33.016 31.700 0.377 0.000 1.048 380 D N -1.127 119.425 120.400 0.254 0.000 2.197 380 D HA -0.021 4.658 4.640 0.065 0.000 0.212 380 D C 0.482 176.961 176.300 0.298 0.000 0.963 380 D CA 1.331 55.481 54.000 0.250 0.000 0.864 380 D CB 0.186 41.072 40.800 0.142 0.000 1.009 380 D HN 0.396 nan 8.370 nan 0.000 0.479 381 N N -0.206 118.660 118.700 0.277 0.000 2.461 381 N HA 0.012 4.791 4.740 0.065 0.000 0.284 381 N C 0.002 175.722 175.510 0.351 0.000 1.049 381 N CA -0.322 52.905 53.050 0.295 0.000 0.889 381 N CB 1.527 40.153 38.487 0.230 0.000 1.365 381 N HN -0.162 nan 8.380 nan 0.000 0.499 382 F N 4.342 124.446 119.950 0.257 0.000 2.095 382 F HA -0.166 4.400 4.527 0.066 0.000 0.298 382 F C 1.675 177.603 175.800 0.213 0.000 1.104 382 F CA 1.475 59.627 58.000 0.253 0.000 1.232 382 F CB -0.102 39.025 39.000 0.212 0.000 0.987 382 F HN 0.603 nan 8.300 nan 0.000 0.475 383 F N 0.820 121.017 119.950 0.413 0.000 2.069 383 F HA -0.189 4.377 4.527 0.065 0.000 0.298 383 F C 2.328 178.188 175.800 0.100 0.000 1.113 383 F CA 1.949 60.101 58.000 0.253 0.000 1.214 383 F CB -0.964 38.159 39.000 0.205 0.000 0.978 383 F HN -0.001 nan 8.300 nan 0.000 0.474 384 A N -0.322 122.620 122.820 0.203 0.000 1.898 384 A HA -0.158 4.201 4.320 0.065 0.000 0.216 384 A C 2.086 179.600 177.584 -0.116 0.000 1.181 384 A CA 1.964 54.037 52.037 0.061 0.000 0.620 384 A CB -0.721 18.366 19.000 0.145 0.000 0.819 384 A HN 0.588 nan 8.150 nan 0.000 0.442 385 E N -1.165 118.982 120.200 -0.088 0.000 2.127 385 E HA -0.072 4.317 4.350 0.065 0.000 0.191 385 E C 1.984 178.477 176.600 -0.178 0.000 0.964 385 E CA 0.522 56.800 56.400 -0.203 0.000 0.832 385 E CB -0.128 29.491 29.700 -0.134 0.000 0.790 385 E HN 0.569 nan 8.360 nan 0.000 0.465 386 N N 1.408 120.005 118.700 -0.172 0.000 2.176 386 N HA -0.169 4.610 4.740 0.065 0.000 0.187 386 N C 1.847 177.174 175.510 -0.304 0.000 1.043 386 N CA 1.407 54.292 53.050 -0.275 0.000 0.851 386 N CB -0.012 37.930 38.487 -0.909 0.000 1.018 386 N HN -0.064 nan 8.380 nan 0.000 0.436 387 E N 0.738 120.687 120.200 -0.418 0.000 2.118 387 E HA -0.130 4.259 4.350 0.065 0.000 0.195 387 E C 1.614 178.015 176.600 -0.331 0.000 0.992 387 E CA 1.549 57.771 56.400 -0.297 0.000 0.804 387 E CB -0.146 29.396 29.700 -0.264 0.000 0.741 387 E HN 0.513 nan 8.360 nan 0.000 0.458 388 Q N -0.382 119.161 119.800 -0.430 0.000 2.403 388 Q HA 0.271 4.649 4.340 0.065 0.000 0.203 388 Q C -0.037 175.844 176.000 -0.199 0.000 0.932 388 Q CA 0.161 55.765 55.803 -0.331 0.000 0.945 388 Q CB 0.575 29.098 28.738 -0.358 0.000 1.045 388 Q HN 0.222 nan 8.270 nan 0.000 0.511 389 A N 1.213 123.940 122.820 -0.155 0.000 2.498 389 A HA 0.447 4.806 4.320 0.065 0.000 0.239 389 A C -0.109 177.381 177.584 -0.157 0.000 1.068 389 A CA 0.204 52.138 52.037 -0.171 0.000 0.766 389 A CB 0.235 19.209 19.000 -0.043 0.000 1.003 389 A HN 0.278 nan 8.150 nan 0.000 0.497 390 A N 2.376 125.042 122.820 -0.257 0.000 2.332 390 A HA 0.704 5.063 4.320 0.065 0.000 0.300 390 A C -0.791 176.683 177.584 -0.183 0.000 1.153 390 A CA -0.405 51.553 52.037 -0.131 0.000 0.764 390 A CB 0.315 19.236 19.000 -0.131 0.000 1.174 390 A HN 0.651 nan 8.150 nan 0.000 0.467 391 F N 0.963 120.926 119.950 0.021 0.000 2.480 391 F HA 0.669 5.235 4.527 0.064 0.000 0.329 391 F C 0.278 176.068 175.800 -0.016 0.000 1.091 391 F CA -0.188 57.803 58.000 -0.015 0.000 0.972 391 F CB 2.114 41.042 39.000 -0.120 0.000 1.150 391 F HN 0.760 nan 8.300 nan 0.000 0.467 392 H N 3.122 122.085 119.070 -0.177 0.000 3.087 392 H HA 0.280 4.881 4.556 0.074 0.000 0.348 392 H C -2.527 172.438 175.328 -0.605 0.000 1.092 392 H CA -1.660 54.046 56.048 -0.570 0.000 1.285 392 H CB 2.856 32.223 29.762 -0.659 0.000 1.875 392 H HN 0.197 nan 8.280 nan 0.000 0.512 393 P HA 0.053 nan 4.420 nan 0.000 0.241 393 P C 1.088 178.269 177.300 -0.199 0.000 1.191 393 P CA 1.038 63.819 63.100 -0.531 0.000 0.771 393 P CB 0.231 31.678 31.700 -0.421 0.000 0.929 394 G N -0.634 107.854 108.800 -0.519 0.000 2.559 394 G HA2 -0.166 3.833 3.960 0.065 0.000 0.216 394 G HA3 -0.166 3.833 3.960 0.065 0.000 0.216 394 G C 0.480 175.610 174.900 0.382 0.000 1.126 394 G CA 0.043 45.244 45.100 0.168 0.000 0.778 394 G HN 0.444 nan 8.290 nan 0.000 0.543 395 H N 0.744 119.947 119.070 0.223 0.000 3.216 395 H HA 0.332 4.923 4.556 0.060 0.000 0.263 395 H C 0.620 176.054 175.328 0.175 0.000 1.601 395 H CA -0.793 55.343 56.048 0.146 0.000 1.509 395 H CB -0.152 29.656 29.762 0.077 0.000 1.759 395 H HN 0.386 nan 8.280 nan 0.000 0.533 396 I N -0.460 120.240 120.570 0.217 0.000 3.217 396 I HA 0.688 4.897 4.170 0.065 0.000 0.308 396 I C -0.079 176.026 176.117 -0.019 0.000 1.091 396 I CA -1.401 59.952 61.300 0.087 0.000 1.013 396 I CB 1.767 39.700 38.000 -0.111 0.000 1.250 396 I HN 0.115 nan 8.210 nan 0.000 0.496 397 V N -2.773 117.116 119.914 -0.043 0.000 3.160 397 V HA 0.670 4.829 4.120 0.065 0.000 0.310 397 V C -2.884 173.316 176.094 0.177 0.000 1.181 397 V CA -2.509 59.828 62.300 0.062 0.000 1.047 397 V CB 1.049 32.893 31.823 0.036 0.000 1.068 397 V HN 0.604 nan 8.190 nan 0.000 0.441 398 P HA 0.400 nan 4.420 nan 0.000 0.264 398 P C 0.870 178.172 177.300 0.003 0.000 1.193 398 P CA 2.023 65.199 63.100 0.128 0.000 0.763 398 P CB 0.770 32.524 31.700 0.091 0.000 0.810 399 G N 1.853 110.609 108.800 -0.073 0.000 2.218 399 G HA2 -0.160 3.839 3.960 0.065 0.000 0.216 399 G HA3 -0.160 3.839 3.960 0.065 0.000 0.216 399 G C -0.231 174.580 174.900 -0.148 0.000 0.994 399 G CA -0.436 44.597 45.100 -0.112 0.000 0.637 399 G HN 0.440 nan 8.290 nan 0.000 0.505 400 L N 0.021 121.170 121.223 -0.122 0.000 2.323 400 L HA 0.916 5.295 4.340 0.065 0.000 0.265 400 L C -0.469 176.339 176.870 -0.103 0.000 1.012 400 L CA -1.035 53.707 54.840 -0.163 0.000 0.820 400 L CB 2.109 43.992 42.059 -0.292 0.000 1.334 400 L HN 0.124 nan 8.230 nan 0.000 0.427 401 D N -0.664 119.656 120.400 -0.132 0.000 2.692 401 D HA 0.446 5.124 4.640 0.065 0.000 0.303 401 D C -1.270 174.927 176.300 -0.171 0.000 1.278 401 D CA -0.361 53.511 54.000 -0.213 0.000 0.852 401 D CB 1.742 42.505 40.800 -0.062 0.000 1.375 401 D HN 0.123 nan 8.370 nan 0.000 0.453 402 F N -0.200 119.878 119.950 0.212 0.000 2.321 402 F HA 0.543 5.110 4.527 0.066 0.000 0.318 402 F C 1.476 177.293 175.800 0.029 0.000 1.129 402 F CA -0.232 57.815 58.000 0.079 0.000 1.074 402 F CB 1.200 40.221 39.000 0.035 0.000 1.432 402 F HN 0.230 nan 8.300 nan 0.000 0.502 403 T N -3.258 111.391 114.554 0.158 0.000 2.742 403 T HA 0.313 4.702 4.350 0.065 0.000 0.282 403 T C -0.144 174.589 174.700 0.056 0.000 1.025 403 T CA -0.989 61.185 62.100 0.123 0.000 1.020 403 T CB 1.180 70.093 68.868 0.075 0.000 1.317 403 T HN 0.354 nan 8.240 nan 0.000 0.538 404 N N 1.230 119.965 118.700 0.058 0.000 2.362 404 N HA 0.075 4.854 4.740 0.065 0.000 0.204 404 N C -0.062 175.450 175.510 0.004 0.000 1.166 404 N CA -0.002 53.064 53.050 0.026 0.000 0.831 404 N CB -0.332 38.186 38.487 0.052 0.000 1.008 404 N HN 0.679 nan 8.380 nan 0.000 0.472 405 D N 2.345 122.728 120.400 -0.028 0.000 2.570 405 D HA -0.073 4.606 4.640 0.065 0.000 0.243 405 D C -1.419 174.864 176.300 -0.028 0.000 1.171 405 D CA -0.837 53.164 54.000 0.002 0.000 0.879 405 D CB 1.317 42.058 40.800 -0.099 0.000 1.143 405 D HN 0.152 nan 8.370 nan 0.000 0.511 406 P HA -0.069 nan 4.420 nan 0.000 0.241 406 P C 1.457 178.767 177.300 0.017 0.000 1.191 406 P CA 0.030 63.138 63.100 0.013 0.000 0.771 406 P CB 0.450 32.150 31.700 0.000 0.000 0.929 407 L N -0.209 121.038 121.223 0.041 0.000 2.084 407 L HA 0.020 4.399 4.340 0.065 0.000 0.202 407 L C 2.366 179.140 176.870 -0.160 0.000 1.074 407 L CA 1.204 56.061 54.840 0.028 0.000 0.757 407 L CB -1.541 40.623 42.059 0.175 0.000 0.918 407 L HN -0.172 nan 8.230 nan 0.000 0.444 408 L N -0.442 120.501 121.223 -0.468 0.000 2.013 408 L HA -0.254 4.125 4.340 0.065 0.000 0.212 408 L C 2.482 179.096 176.870 -0.427 0.000 1.073 408 L CA 1.844 56.213 54.840 -0.785 0.000 0.753 408 L CB -0.935 40.458 42.059 -1.109 0.000 0.890 408 L HN 0.383 nan 8.230 nan 0.000 0.432 409 Q N -0.183 119.438 119.800 -0.300 0.000 2.077 409 Q HA -0.189 4.190 4.340 0.065 0.000 0.206 409 Q C 2.123 178.039 176.000 -0.140 0.000 0.989 409 Q CA 1.933 57.606 55.803 -0.217 0.000 0.853 409 Q CB -0.929 27.733 28.738 -0.127 0.000 0.907 409 Q HN 0.712 nan 8.270 nan 0.000 0.418 410 G N 0.483 109.233 108.800 -0.083 0.000 2.422 410 G HA2 -0.227 3.772 3.960 0.065 0.000 0.218 410 G HA3 -0.227 3.772 3.960 0.065 0.000 0.218 410 G C 1.533 176.444 174.900 0.018 0.000 1.140 410 G CA 0.326 45.423 45.100 -0.005 0.000 0.775 410 G HN 0.253 nan 8.290 nan 0.000 0.545 411 R N -0.120 120.340 120.500 -0.066 0.000 2.103 411 R HA -0.021 4.358 4.340 0.065 0.000 0.242 411 R C 2.559 178.939 176.300 0.135 0.000 1.142 411 R CA 1.105 57.225 56.100 0.033 0.000 0.960 411 R CB -0.529 29.744 30.300 -0.046 0.000 0.858 411 R HN 0.350 nan 8.270 nan 0.000 0.439 412 L N -0.399 120.796 121.223 -0.046 0.000 2.129 412 L HA -0.229 4.150 4.340 0.065 0.000 0.212 412 L C 2.322 179.326 176.870 0.223 0.000 1.087 412 L CA 1.218 56.060 54.840 0.004 0.000 0.757 412 L CB -0.515 41.392 42.059 -0.253 0.000 0.896 412 L HN 0.164 nan 8.230 nan 0.000 0.434 413 F N 0.130 120.111 119.950 0.051 0.000 2.146 413 F HA -0.214 4.334 4.527 0.036 0.000 0.298 413 F C 2.784 178.620 175.800 0.060 0.000 1.096 413 F CA 1.706 59.730 58.000 0.041 0.000 1.275 413 F CB -0.224 38.779 39.000 0.006 0.000 1.008 413 F HN -0.037 nan 8.300 nan 0.000 0.480 414 S N -1.011 114.679 115.700 -0.017 0.000 2.371 414 S HA -0.175 4.334 4.470 0.065 0.000 0.224 414 S C 2.001 176.463 174.600 -0.231 0.000 1.029 414 S CA 1.130 59.207 58.200 -0.206 0.000 0.978 414 S CB -0.724 62.377 63.200 -0.164 0.000 0.833 414 S HN 0.520 nan 8.310 nan 0.000 0.466 415 Y N 1.962 122.261 120.300 -0.002 0.000 2.439 415 Y HA -0.044 4.542 4.550 0.060 0.000 0.292 415 Y C 2.947 178.549 175.900 -0.496 0.000 1.130 415 Y CA 1.281 59.423 58.100 0.069 0.000 1.254 415 Y CB -0.471 38.975 38.460 1.644 0.000 1.000 415 Y HN 0.499 nan 8.280 nan 0.000 0.554 416 T N -2.739 111.442 114.554 -0.621 0.000 2.852 416 T HA -0.153 4.236 4.350 0.065 0.000 0.256 416 T C 1.562 176.058 174.700 -0.341 0.000 1.038 416 T CA 1.202 63.034 62.100 -0.447 0.000 1.141 416 T CB -0.576 68.091 68.868 -0.334 0.000 0.869 416 T HN 0.246 nan 8.240 nan 0.000 0.439 417 D N 1.422 121.559 120.400 -0.439 0.000 2.106 417 D HA -0.173 4.506 4.640 0.065 0.000 0.191 417 D C 2.286 178.428 176.300 -0.263 0.000 0.997 417 D CA 2.120 55.878 54.000 -0.403 0.000 0.834 417 D CB -0.888 39.474 40.800 -0.731 0.000 0.956 417 D HN 0.390 nan 8.370 nan 0.000 0.448 418 T N -1.111 113.277 114.554 -0.278 0.000 2.833 418 T HA -0.153 4.236 4.350 0.065 0.000 0.269 418 T C 1.683 176.256 174.700 -0.210 0.000 1.054 418 T CA 1.331 63.309 62.100 -0.203 0.000 1.135 418 T CB -0.252 68.493 68.868 -0.205 0.000 0.869 418 T HN 0.161 nan 8.240 nan 0.000 0.466 419 Q N 0.655 120.257 119.800 -0.330 0.000 2.226 419 Q HA -0.026 4.352 4.340 0.065 0.000 0.204 419 Q C 2.281 178.161 176.000 -0.201 0.000 0.975 419 Q CA 0.764 56.312 55.803 -0.424 0.000 0.866 419 Q CB -0.482 27.585 28.738 -1.118 0.000 0.915 419 Q HN 0.510 nan 8.270 nan 0.000 0.440 420 I N 1.114 121.621 120.570 -0.105 0.000 2.208 420 I HA -0.233 3.975 4.170 0.065 0.000 0.245 420 I C 2.395 178.519 176.117 0.012 0.000 1.097 420 I CA 1.837 63.140 61.300 0.006 0.000 1.363 420 I CB -1.461 36.547 38.000 0.014 0.000 1.051 420 I HN 0.214 nan 8.210 nan 0.000 0.413 421 S N 0.496 116.186 115.700 -0.015 0.000 2.388 421 S HA -0.122 4.386 4.470 0.065 0.000 0.223 421 S C 2.188 176.787 174.600 -0.002 0.000 1.034 421 S CA 0.453 58.655 58.200 0.004 0.000 0.963 421 S CB -0.438 62.764 63.200 0.004 0.000 0.827 421 S HN 0.343 nan 8.310 nan 0.000 0.481 422 R N 0.867 121.343 120.500 -0.040 0.000 2.075 422 R HA 0.179 4.557 4.340 0.065 0.000 0.232 422 R C 1.472 177.754 176.300 -0.030 0.000 1.126 422 R CA 1.348 57.426 56.100 -0.038 0.000 0.963 422 R CB -0.204 30.049 30.300 -0.079 0.000 0.858 422 R HN 0.461 nan 8.270 nan 0.000 0.435 423 L N -1.038 120.157 121.223 -0.047 0.000 2.808 423 L HA 0.353 4.732 4.340 0.065 0.000 0.246 423 L C 0.807 177.703 176.870 0.042 0.000 1.153 423 L CA 0.294 55.120 54.840 -0.023 0.000 0.956 423 L CB 1.215 43.246 42.059 -0.046 0.000 1.270 423 L HN 0.559 nan 8.230 nan 0.000 0.528 424 G N 0.046 108.891 108.800 0.075 0.000 2.176 424 G HA2 -0.108 3.891 3.960 0.065 0.000 0.253 424 G HA3 -0.108 3.891 3.960 0.065 0.000 0.253 424 G C 0.434 175.463 174.900 0.215 0.000 0.979 424 G CA -0.008 45.187 45.100 0.158 0.000 0.641 424 G HN 0.771 nan 8.290 nan 0.000 0.530 425 G N -1.524 107.392 108.800 0.192 0.000 2.343 425 G HA2 0.604 4.603 3.960 0.065 0.000 0.289 425 G HA3 0.604 4.603 3.960 0.065 0.000 0.289 425 G C -2.207 172.855 174.900 0.270 0.000 1.295 425 G CA 0.407 45.626 45.100 0.197 0.000 0.869 425 G HN 0.465 nan 8.290 nan 0.000 0.522 426 P HA 0.118 nan 4.420 nan 0.000 0.249 426 P C 0.322 177.654 177.300 0.053 0.000 1.229 426 P CA 0.329 63.543 63.100 0.191 0.000 0.788 426 P CB 0.217 31.983 31.700 0.110 0.000 1.072 427 N N 0.467 119.206 118.700 0.065 0.000 2.322 427 N HA 0.039 4.818 4.740 0.065 0.000 0.216 427 N C 1.166 176.543 175.510 -0.221 0.000 1.144 427 N CA -0.100 52.884 53.050 -0.110 0.000 0.830 427 N CB -0.702 37.752 38.487 -0.056 0.000 1.034 427 N HN 0.280 nan 8.380 nan 0.000 0.484 428 F N 1.073 121.009 119.950 -0.023 0.000 2.250 428 F HA -0.148 4.408 4.527 0.048 0.000 0.301 428 F C 2.253 177.982 175.800 -0.117 0.000 1.077 428 F CA 0.955 58.911 58.000 -0.073 0.000 1.348 428 F CB -0.891 38.086 39.000 -0.038 0.000 1.040 428 F HN 0.187 nan 8.300 nan 0.000 0.509 429 H N 0.457 119.171 119.070 -0.594 0.000 2.545 429 H HA 0.032 4.625 4.556 0.063 0.000 0.282 429 H C 0.860 176.020 175.328 -0.280 0.000 1.020 429 H CA 1.406 57.187 56.048 -0.445 0.000 1.243 429 H CB -0.797 28.562 29.762 -0.671 0.000 1.377 429 H HN 0.554 nan 8.280 nan 0.000 0.581 430 E N 0.827 120.593 120.200 -0.722 0.000 2.474 430 E HA 0.195 4.584 4.350 0.065 0.000 0.194 430 E C 0.366 176.840 176.600 -0.210 0.000 1.041 430 E CA -0.310 55.828 56.400 -0.436 0.000 0.874 430 E CB 0.592 30.039 29.700 -0.422 0.000 0.914 430 E HN 0.416 nan 8.360 nan 0.000 0.498 431 I N 2.543 123.014 120.570 -0.165 0.000 2.648 431 I HA -0.052 4.157 4.170 0.065 0.000 0.284 431 I C -1.546 174.506 176.117 -0.107 0.000 1.153 431 I CA -1.393 59.842 61.300 -0.107 0.000 1.426 431 I CB 0.634 38.585 38.000 -0.081 0.000 1.381 431 I HN -0.203 nan 8.210 nan 0.000 0.571 432 P HA -0.212 nan 4.420 nan 0.000 0.215 432 P C 1.743 178.967 177.300 -0.127 0.000 1.157 432 P CA 1.164 64.203 63.100 -0.102 0.000 0.874 432 P CB 0.172 31.819 31.700 -0.089 0.000 0.790 433 I N -0.427 120.040 120.570 -0.170 0.000 2.335 433 I HA -0.214 3.995 4.170 0.065 0.000 0.251 433 I C 1.330 177.372 176.117 -0.125 0.000 1.129 433 I CA 1.741 62.892 61.300 -0.249 0.000 1.402 433 I CB -0.677 37.062 38.000 -0.436 0.000 1.069 433 I HN -0.094 nan 8.210 nan 0.000 0.424 434 N N 0.667 119.308 118.700 -0.099 0.000 2.463 434 N HA 0.015 4.794 4.740 0.065 0.000 0.181 434 N C 0.332 175.839 175.510 -0.004 0.000 1.078 434 N CA 0.234 53.254 53.050 -0.051 0.000 0.902 434 N CB -0.171 38.302 38.487 -0.023 0.000 0.970 434 N HN 0.385 nan 8.380 nan 0.000 0.451 435 R N 1.787 122.283 120.500 -0.006 0.000 2.522 435 R HA 0.126 4.505 4.340 0.065 0.000 0.284 435 R C -2.187 174.168 176.300 0.092 0.000 1.032 435 R CA -1.162 54.937 56.100 -0.001 0.000 1.049 435 R CB -0.106 30.180 30.300 -0.024 0.000 0.956 435 R HN 0.048 nan 8.270 nan 0.000 0.422 436 P HA -0.037 nan 4.420 nan 0.000 0.269 436 P C 0.652 178.025 177.300 0.122 0.000 1.215 436 P CA 0.066 63.243 63.100 0.128 0.000 0.780 436 P CB 0.630 32.360 31.700 0.051 0.000 0.898 437 T N -1.810 112.832 114.554 0.147 0.000 3.054 437 T HA 0.234 4.623 4.350 0.065 0.000 0.259 437 T C 0.921 175.670 174.700 0.082 0.000 1.092 437 T CA 0.115 62.256 62.100 0.069 0.000 1.121 437 T CB -0.331 68.562 68.868 0.042 0.000 0.912 437 T HN 0.467 nan 8.240 nan 0.000 0.489 438 A N 3.118 126.001 122.820 0.105 0.000 2.386 438 A HA 0.563 4.922 4.320 0.065 0.000 0.248 438 A C -2.162 175.484 177.584 0.103 0.000 1.082 438 A CA -1.435 50.661 52.037 0.099 0.000 0.789 438 A CB -0.355 18.705 19.000 0.101 0.000 1.025 438 A HN 0.293 nan 8.150 nan 0.000 0.490 439 P HA 0.259 nan 4.420 nan 0.000 0.266 439 P C -1.077 176.295 177.300 0.120 0.000 1.195 439 P CA 0.651 63.818 63.100 0.112 0.000 0.768 439 P CB 0.073 31.889 31.700 0.194 0.000 0.838 440 Y N 0.889 121.066 120.300 -0.204 0.000 2.386 440 Y HA 0.665 5.254 4.550 0.064 0.000 0.334 440 Y C -1.416 174.143 175.900 -0.567 0.000 1.002 440 Y CA -0.978 56.986 58.100 -0.227 0.000 1.068 440 Y CB 1.459 39.812 38.460 -0.179 0.000 1.203 440 Y HN 0.418 nan 8.280 nan 0.000 0.443 441 H N 3.742 122.657 119.070 -0.258 0.000 2.947 441 H HA 0.554 5.149 4.556 0.065 0.000 0.354 441 H C -1.163 174.017 175.328 -0.247 0.000 1.085 441 H CA -0.794 55.027 56.048 -0.379 0.000 1.253 441 H CB 1.653 31.247 29.762 -0.280 0.000 1.757 441 H HN 0.895 nan 8.280 nan 0.000 0.523 442 N N 0.392 118.958 118.700 -0.223 0.000 3.378 442 N HA 0.176 4.955 4.740 0.065 0.000 0.294 442 N C -1.236 174.029 175.510 -0.410 0.000 1.544 442 N CA -0.947 51.934 53.050 -0.282 0.000 0.872 442 N CB 0.590 39.077 38.487 0.001 0.000 1.670 442 N HN 0.302 nan 8.380 nan 0.000 0.551 443 F N -0.356 119.632 119.950 0.063 0.000 2.641 443 F HA 0.361 4.923 4.527 0.058 0.000 0.302 443 F C 0.464 176.304 175.800 0.067 0.000 1.098 443 F CA -0.353 57.679 58.000 0.054 0.000 1.318 443 F CB 0.146 39.171 39.000 0.041 0.000 1.035 443 F HN 0.140 nan 8.300 nan 0.000 0.551 444 Q N 1.664 121.569 119.800 0.175 0.000 2.352 444 Q HA 0.388 4.767 4.340 0.065 0.000 0.260 444 Q C 0.075 176.151 176.000 0.127 0.000 0.976 444 Q CA -0.003 55.884 55.803 0.140 0.000 0.881 444 Q CB 1.037 29.835 28.738 0.101 0.000 1.235 444 Q HN 0.116 nan 8.270 nan 0.000 0.419 445 R N 1.764 122.333 120.500 0.114 0.000 2.836 445 R HA 0.375 4.754 4.340 0.065 0.000 0.269 445 R C -0.621 175.726 176.300 0.080 0.000 1.010 445 R CA -0.635 55.524 56.100 0.098 0.000 0.930 445 R CB 1.275 31.635 30.300 0.099 0.000 1.218 445 R HN 0.716 nan 8.270 nan 0.000 0.473 446 D N -0.225 120.214 120.400 0.066 0.000 3.632 446 D HA -0.171 4.508 4.640 0.065 0.000 0.193 446 D C 0.325 176.653 176.300 0.046 0.000 1.293 446 D CA 1.883 55.912 54.000 0.048 0.000 1.100 446 D CB -1.159 39.666 40.800 0.042 0.000 0.619 446 D HN 0.910 nan 8.370 nan 0.000 0.733 447 G N -1.048 107.773 108.800 0.034 0.000 2.733 447 G HA2 0.164 4.163 3.960 0.065 0.000 0.686 447 G HA3 0.164 4.163 3.960 0.065 0.000 0.686 447 G C -0.194 174.707 174.900 0.002 0.000 1.373 447 G CA 0.135 45.255 45.100 0.032 0.000 0.838 447 G HN 0.810 nan 8.290 nan 0.000 0.588 448 M N 2.305 121.890 119.600 -0.024 0.000 2.252 448 M HA 0.405 4.924 4.480 0.065 0.000 0.329 448 M C 1.419 177.652 176.300 -0.112 0.000 1.101 448 M CA 0.859 56.058 55.300 -0.169 0.000 1.117 448 M CB -0.393 32.055 32.600 -0.253 0.000 1.563 448 M HN 1.163 nan 8.290 nan 0.000 0.445 449 H N 0.320 119.395 119.070 0.008 0.000 2.839 449 H HA -0.169 4.425 4.556 0.062 0.000 0.298 449 H C -0.361 174.958 175.328 -0.015 0.000 1.224 449 H CA 0.734 56.782 56.048 -0.000 0.000 1.144 449 H CB -1.853 27.910 29.762 0.002 0.000 1.372 449 H HN 0.607 nan 8.280 nan 0.000 0.408 450 R N 1.201 121.732 120.500 0.052 0.000 2.370 450 R HA 0.125 4.504 4.340 0.065 0.000 0.309 450 R C 1.266 177.582 176.300 0.026 0.000 1.059 450 R CA -0.106 56.014 56.100 0.033 0.000 0.981 450 R CB 0.343 30.660 30.300 0.028 0.000 0.972 450 R HN 0.115 nan 8.270 nan 0.000 0.437 451 M N 2.590 122.194 119.600 0.006 0.000 2.398 451 M HA 0.221 4.740 4.480 0.065 0.000 0.261 451 M C 0.945 177.247 176.300 0.002 0.000 1.125 451 M CA 1.056 56.356 55.300 0.000 0.000 1.183 451 M CB -0.907 31.678 32.600 -0.025 0.000 1.322 451 M HN 0.709 nan 8.290 nan 0.000 0.467 452 G N 1.873 110.679 108.800 0.009 0.000 2.340 452 G HA2 0.360 4.359 3.960 0.065 0.000 0.245 452 G HA3 0.360 4.359 3.960 0.065 0.000 0.245 452 G C -0.341 174.562 174.900 0.006 0.000 1.294 452 G CA -0.348 44.757 45.100 0.008 0.000 0.896 452 G HN 0.331 nan 8.290 nan 0.000 0.522 453 I N 2.934 123.500 120.570 -0.007 0.000 2.307 453 I HA 0.097 4.306 4.170 0.065 0.000 0.287 453 I C -0.256 175.856 176.117 -0.009 0.000 1.054 453 I CA -0.523 60.776 61.300 -0.001 0.000 1.218 453 I CB 0.856 38.855 38.000 -0.001 0.000 1.398 453 I HN 0.361 nan 8.210 nan 0.000 0.475 454 D N 4.766 125.165 120.400 -0.001 0.000 2.351 454 D HA 0.060 4.739 4.640 0.065 0.000 0.251 454 D C 1.249 177.552 176.300 0.005 0.000 1.137 454 D CA 0.218 54.213 54.000 -0.008 0.000 0.879 454 D CB 1.823 42.623 40.800 0.001 0.000 1.181 454 D HN 0.556 nan 8.370 nan 0.000 0.448 455 T N -0.818 113.735 114.554 -0.002 0.000 3.060 455 T HA -0.072 4.317 4.350 0.065 0.000 0.249 455 T C 0.867 175.577 174.700 0.017 0.000 1.079 455 T CA -0.483 61.621 62.100 0.005 0.000 1.013 455 T CB 0.147 69.012 68.868 -0.006 0.000 0.975 455 T HN 0.126 nan 8.240 nan 0.000 0.518 456 N N 3.318 122.030 118.700 0.020 0.000 2.411 456 N HA 0.097 4.876 4.740 0.065 0.000 0.265 456 N C -1.675 173.876 175.510 0.069 0.000 1.266 456 N CA -1.638 51.437 53.050 0.041 0.000 0.889 456 N CB 1.417 39.927 38.487 0.039 0.000 1.069 456 N HN 0.053 nan 8.380 nan 0.000 0.476 457 P HA -0.019 nan 4.420 nan 0.000 0.219 457 P C -0.523 176.842 177.300 0.108 0.000 1.146 457 P CA 0.869 64.017 63.100 0.080 0.000 0.808 457 P CB 0.186 31.928 31.700 0.071 0.000 0.779 458 A N 0.797 123.670 122.820 0.089 0.000 2.305 458 A HA 0.387 4.746 4.320 0.065 0.000 0.322 458 A C 0.532 178.222 177.584 0.177 0.000 1.187 458 A CA -0.648 51.397 52.037 0.013 0.000 0.825 458 A CB -0.069 18.765 19.000 -0.276 0.000 1.164 458 A HN 0.277 nan 8.150 nan 0.000 0.498 459 N N 0.409 119.247 118.700 0.230 0.000 2.338 459 N HA 0.364 5.142 4.740 0.065 0.000 0.251 459 N C -0.835 174.834 175.510 0.266 0.000 1.199 459 N CA -0.372 52.890 53.050 0.353 0.000 0.879 459 N CB 0.294 38.942 38.487 0.269 0.000 1.159 459 N HN 0.688 nan 8.380 nan 0.000 0.514 460 Y N -1.127 119.045 120.300 -0.214 0.000 2.638 460 Y HA 0.685 5.271 4.550 0.060 0.000 0.335 460 Y C -1.469 173.822 175.900 -1.015 0.000 1.155 460 Y CA -1.365 56.436 58.100 -0.498 0.000 1.046 460 Y CB 0.988 39.320 38.460 -0.215 0.000 1.303 460 Y HN 0.086 nan 8.280 nan 0.000 0.460 461 E N 0.590 120.304 120.200 -0.809 0.000 2.390 461 E HA 0.631 5.020 4.350 0.065 0.000 0.277 461 E C -3.177 173.311 176.600 -0.186 0.000 0.939 461 E CA -2.023 54.002 56.400 -0.624 0.000 0.769 461 E CB 1.517 30.762 29.700 -0.758 0.000 1.251 461 E HN 0.589 nan 8.360 nan 0.000 0.450 462 P HA 0.256 nan 4.420 nan 0.000 0.271 462 P C -1.240 176.009 177.300 -0.086 0.000 1.218 462 P CA -0.367 62.662 63.100 -0.119 0.000 0.780 462 P CB 0.416 32.082 31.700 -0.056 0.000 0.901 463 N N -1.224 117.351 118.700 -0.207 0.000 2.242 463 N HA 0.300 5.079 4.740 0.065 0.000 0.292 463 N C 0.341 175.802 175.510 -0.083 0.000 1.125 463 N CA -0.744 52.196 53.050 -0.183 0.000 0.783 463 N CB 1.490 39.567 38.487 -0.683 0.000 1.558 463 N HN 0.188 nan 8.380 nan 0.000 0.472 464 S N 1.090 116.792 115.700 0.003 0.000 2.470 464 S HA -0.032 4.477 4.470 0.065 0.000 0.222 464 S C 1.567 176.181 174.600 0.022 0.000 1.024 464 S CA 0.167 58.371 58.200 0.006 0.000 0.931 464 S CB -0.803 62.412 63.200 0.025 0.000 0.791 464 S HN 0.721 nan 8.310 nan 0.000 0.513 465 I N -0.745 119.848 120.570 0.038 0.000 3.001 465 I HA 0.222 4.431 4.170 0.065 0.000 0.268 465 I C 1.207 177.356 176.117 0.054 0.000 1.267 465 I CA 1.170 62.504 61.300 0.056 0.000 1.472 465 I CB -0.402 37.652 38.000 0.089 0.000 1.089 465 I HN 0.181 nan 8.210 nan 0.000 0.468 466 N N 1.283 120.011 118.700 0.045 0.000 2.365 466 N HA 0.042 4.821 4.740 0.065 0.000 0.257 466 N C -0.097 175.515 175.510 0.170 0.000 1.287 466 N CA -0.096 53.022 53.050 0.113 0.000 0.882 466 N CB 0.007 38.573 38.487 0.131 0.000 1.250 466 N HN 0.179 nan 8.380 nan 0.000 0.507 467 D N 0.898 121.347 120.400 0.082 0.000 2.737 467 D HA -0.262 4.417 4.640 0.065 0.000 0.233 467 D C -0.029 176.155 176.300 -0.194 0.000 1.155 467 D CA 1.094 55.104 54.000 0.016 0.000 0.667 467 D CB -1.277 39.614 40.800 0.152 0.000 1.060 467 D HN 0.511 nan 8.370 nan 0.000 0.427 468 N N -1.730 116.882 118.700 -0.146 0.000 2.800 468 N HA -0.249 4.530 4.740 0.065 0.000 0.250 468 N C -0.743 174.661 175.510 -0.176 0.000 1.078 468 N CA 1.383 54.310 53.050 -0.204 0.000 0.804 468 N CB -1.315 37.010 38.487 -0.271 0.000 1.135 468 N HN 0.530 nan 8.380 nan 0.000 0.565 469 W N 1.103 122.451 121.300 0.080 0.000 2.313 469 W HA 0.422 5.119 4.660 0.063 0.000 0.328 469 W C -1.609 174.955 176.519 0.076 0.000 1.197 469 W CA -1.524 55.852 57.345 0.051 0.000 1.235 469 W CB 0.429 29.869 29.460 -0.034 0.000 1.158 469 W HN -0.026 nan 8.180 nan 0.000 0.578 470 P HA 0.193 nan 4.420 nan 0.000 0.275 470 P C -0.718 176.707 177.300 0.209 0.000 1.228 470 P CA -0.150 63.084 63.100 0.223 0.000 0.786 470 P CB 0.938 32.612 31.700 -0.044 0.000 0.927 471 R N 1.064 121.667 120.500 0.171 0.000 2.604 471 R HA 0.318 4.697 4.340 0.065 0.000 0.287 471 R C 0.363 176.694 176.300 0.050 0.000 0.970 471 R CA -0.840 55.241 56.100 -0.032 0.000 0.946 471 R CB 1.030 31.100 30.300 -0.383 0.000 1.127 471 R HN 0.485 nan 8.270 nan 0.000 0.473 472 E N 0.757 120.978 120.200 0.034 0.000 2.459 472 E HA -0.025 4.364 4.350 0.065 0.000 0.264 472 E C -0.540 176.081 176.600 0.036 0.000 1.055 472 E CA 0.846 57.275 56.400 0.048 0.000 0.957 472 E CB 0.560 30.276 29.700 0.028 0.000 0.952 472 E HN 0.367 nan 8.360 nan 0.000 0.448 473 T N 3.650 118.237 114.554 0.055 0.000 2.879 473 T HA 0.341 4.730 4.350 0.065 0.000 0.290 473 T C -2.426 172.298 174.700 0.040 0.000 0.993 473 T CA -1.499 60.632 62.100 0.052 0.000 0.975 473 T CB 1.553 70.464 68.868 0.072 0.000 0.981 473 T HN 0.230 nan 8.240 nan 0.000 0.439 474 P HA 0.230 nan 4.420 nan 0.000 0.269 474 P C -2.372 174.935 177.300 0.011 0.000 1.215 474 P CA -1.122 61.986 63.100 0.013 0.000 0.780 474 P CB -0.202 31.501 31.700 0.005 0.000 0.898 475 P HA 0.289 nan 4.420 nan 0.000 0.272 475 P C -0.018 177.270 177.300 -0.019 0.000 1.230 475 P CA 0.313 63.399 63.100 -0.024 0.000 0.788 475 P CB 0.752 32.417 31.700 -0.058 0.000 0.949 476 G N 0.399 109.186 108.800 -0.021 0.000 2.427 476 G HA2 0.327 4.326 3.960 0.065 0.000 0.306 476 G HA3 0.327 4.326 3.960 0.065 0.000 0.306 476 G C -2.597 172.293 174.900 -0.018 0.000 1.280 476 G CA -0.624 44.466 45.100 -0.017 0.000 0.837 476 G HN 0.111 nan 8.290 nan 0.000 0.482 477 P HA 0.143 nan 4.420 nan 0.000 0.219 477 P C 0.181 177.477 177.300 -0.007 0.000 1.150 477 P CA 1.166 64.258 63.100 -0.014 0.000 0.814 477 P CB 0.142 31.836 31.700 -0.009 0.000 0.787 478 K N -2.118 118.285 120.400 0.005 0.000 2.551 478 K HA 0.418 4.777 4.320 0.065 0.000 0.269 478 K C -0.210 176.406 176.600 0.027 0.000 0.949 478 K CA -0.878 55.419 56.287 0.016 0.000 0.849 478 K CB 1.820 34.332 32.500 0.019 0.000 1.411 478 K HN -0.356 nan 8.250 nan 0.000 0.432 479 R N -0.787 119.738 120.500 0.041 0.000 3.863 479 R HA -0.145 4.234 4.340 0.065 0.000 0.313 479 R C 0.042 176.374 176.300 0.052 0.000 1.202 479 R CA 1.047 57.178 56.100 0.052 0.000 0.852 479 R CB -2.328 28.002 30.300 0.050 0.000 1.292 479 R HN 0.944 nan 8.270 nan 0.000 0.519 480 G N -0.398 108.427 108.800 0.042 0.000 2.504 480 G HA2 0.559 4.557 3.960 0.065 0.000 0.288 480 G HA3 0.559 4.557 3.960 0.065 0.000 0.288 480 G C 0.429 175.363 174.900 0.057 0.000 1.182 480 G CA 0.141 45.262 45.100 0.036 0.000 0.894 480 G HN 0.244 nan 8.290 nan 0.000 0.521 481 G N -1.036 107.799 108.800 0.058 0.000 2.527 481 G HA2 0.386 4.385 3.960 0.065 0.000 0.248 481 G HA3 0.386 4.385 3.960 0.065 0.000 0.248 481 G C -0.503 174.449 174.900 0.088 0.000 1.231 481 G CA -0.541 44.614 45.100 0.092 0.000 0.838 481 G HN 0.476 nan 8.290 nan 0.000 0.570 482 F N 0.815 120.783 119.950 0.030 0.000 2.504 482 F HA 0.345 4.914 4.527 0.069 0.000 0.369 482 F C 0.601 176.418 175.800 0.028 0.000 1.082 482 F CA -0.095 57.919 58.000 0.023 0.000 1.216 482 F CB 0.752 39.769 39.000 0.029 0.000 1.108 482 F HN 0.479 nan 8.300 nan 0.000 0.554 483 E N 4.159 123.981 120.200 -0.630 0.000 2.272 483 E HA 0.325 4.714 4.350 0.065 0.000 0.269 483 E C -1.168 175.080 176.600 -0.587 0.000 0.877 483 E CA -0.847 55.336 56.400 -0.363 0.000 0.755 483 E CB 1.676 31.262 29.700 -0.191 0.000 1.192 483 E HN 0.593 nan 8.360 nan 0.000 0.422 484 S N 2.472 118.059 115.700 -0.188 0.000 2.564 484 S HA 0.017 4.526 4.470 0.065 0.000 0.278 484 S C -0.633 173.949 174.600 -0.031 0.000 1.333 484 S CA -0.340 57.844 58.200 -0.027 0.000 1.048 484 S CB 0.101 63.413 63.200 0.187 0.000 0.900 484 S HN 0.467 nan 8.310 nan 0.000 0.505 485 Y N 2.786 123.018 120.300 -0.113 0.000 2.717 485 Y HA -0.034 4.554 4.550 0.064 0.000 0.330 485 Y C 0.920 176.799 175.900 -0.034 0.000 1.217 485 Y CA 0.242 58.288 58.100 -0.089 0.000 1.506 485 Y CB 0.203 38.608 38.460 -0.092 0.000 1.268 485 Y HN 0.593 nan 8.280 nan 0.000 0.561 486 Q N 5.161 124.578 119.800 -0.638 0.000 3.223 486 Q HA -0.002 4.377 4.340 0.065 0.000 0.299 486 Q C -0.178 175.522 176.000 -0.501 0.000 1.385 486 Q CA 0.021 55.555 55.803 -0.448 0.000 0.942 486 Q CB -0.259 28.292 28.738 -0.312 0.000 1.748 486 Q HN 0.639 nan 8.270 nan 0.000 0.523 487 E N 1.291 121.295 120.200 -0.326 0.000 2.413 487 E HA 0.005 4.394 4.350 0.065 0.000 0.263 487 E C -0.210 176.360 176.600 -0.050 0.000 1.015 487 E CA -0.512 55.823 56.400 -0.108 0.000 0.916 487 E CB 0.655 30.436 29.700 0.135 0.000 0.947 487 E HN 0.110 nan 8.360 nan 0.000 0.440 488 R N 2.993 123.487 120.500 -0.010 0.000 2.401 488 R HA 0.185 4.564 4.340 0.065 0.000 0.299 488 R C -1.463 174.862 176.300 0.042 0.000 1.064 488 R CA -0.135 55.970 56.100 0.009 0.000 1.000 488 R CB 0.692 31.005 30.300 0.022 0.000 0.973 488 R HN 0.279 nan 8.270 nan 0.000 0.438 489 V N 5.071 125.002 119.914 0.029 0.000 2.495 489 V HA 0.429 4.588 4.120 0.065 0.000 0.298 489 V C -0.477 175.632 176.094 0.026 0.000 1.031 489 V CA -0.580 61.741 62.300 0.036 0.000 0.871 489 V CB 1.708 33.549 31.823 0.030 0.000 0.988 489 V HN 0.820 nan 8.190 nan 0.000 0.432 490 E N 2.843 123.060 120.200 0.029 0.000 2.317 490 E HA 0.676 5.065 4.350 0.065 0.000 0.270 490 E C -0.167 176.441 176.600 0.014 0.000 0.899 490 E CA -0.409 56.002 56.400 0.018 0.000 0.814 490 E CB 2.267 31.977 29.700 0.018 0.000 1.296 490 E HN 0.974 nan 8.360 nan 0.000 0.404 491 G N 2.372 111.176 108.800 0.006 0.000 2.328 491 G HA2 0.183 4.182 3.960 0.065 0.000 0.295 491 G HA3 0.183 4.182 3.960 0.065 0.000 0.295 491 G C -1.466 173.430 174.900 -0.006 0.000 1.413 491 G CA -1.006 44.094 45.100 -0.001 0.000 0.817 491 G HN 0.344 nan 8.290 nan 0.000 0.546 492 N N 0.033 118.726 118.700 -0.011 0.000 2.495 492 N HA 0.422 5.201 4.740 0.065 0.000 0.280 492 N C -0.205 175.294 175.510 -0.019 0.000 1.168 492 N CA -0.561 52.481 53.050 -0.014 0.000 0.978 492 N CB 1.012 39.489 38.487 -0.016 0.000 1.191 492 N HN 0.399 nan 8.380 nan 0.000 0.497 493 K N 1.078 121.466 120.400 -0.020 0.000 2.382 493 K HA 0.178 4.537 4.320 0.065 0.000 0.286 493 K C -0.742 175.838 176.600 -0.033 0.000 1.062 493 K CA -0.112 56.159 56.287 -0.027 0.000 1.000 493 K CB -0.237 32.248 32.500 -0.025 0.000 0.954 493 K HN 0.341 nan 8.250 nan 0.000 0.470 494 V N 0.323 120.212 119.914 -0.042 0.000 2.888 494 V HA 0.460 4.619 4.120 0.065 0.000 0.309 494 V C -0.624 175.432 176.094 -0.063 0.000 1.114 494 V CA -1.325 60.947 62.300 -0.048 0.000 0.940 494 V CB 2.016 33.812 31.823 -0.044 0.000 1.021 494 V HN 0.636 nan 8.190 nan 0.000 0.426 495 R N 2.485 122.943 120.500 -0.069 0.000 2.369 495 R HA 0.636 5.015 4.340 0.065 0.000 0.310 495 R C -0.539 175.715 176.300 -0.076 0.000 1.141 495 R CA -0.163 55.884 56.100 -0.088 0.000 1.116 495 R CB 0.928 31.163 30.300 -0.109 0.000 1.135 495 R HN 0.946 nan 8.270 nan 0.000 0.529 496 E N 2.128 122.279 120.200 -0.081 0.000 2.335 496 E HA 0.207 4.596 4.350 0.065 0.000 0.280 496 E C -1.351 175.184 176.600 -0.109 0.000 0.918 496 E CA -0.967 55.388 56.400 -0.075 0.000 0.765 496 E CB 1.666 31.328 29.700 -0.063 0.000 1.218 496 E HN 0.150 nan 8.360 nan 0.000 0.425 497 R N 1.755 122.194 120.500 -0.101 0.000 2.390 497 R HA 0.228 4.607 4.340 0.065 0.000 0.291 497 R C -0.521 175.662 176.300 -0.195 0.000 1.070 497 R CA 0.056 56.056 56.100 -0.166 0.000 1.014 497 R CB 1.214 31.475 30.300 -0.065 0.000 1.007 497 R HN 0.393 nan 8.270 nan 0.000 0.466 498 S N 5.074 120.545 115.700 -0.382 0.000 2.546 498 S HA 0.064 4.572 4.470 0.065 0.000 0.290 498 S C -1.493 173.082 174.600 -0.041 0.000 1.290 498 S CA -1.129 56.932 58.200 -0.232 0.000 1.069 498 S CB 0.575 63.576 63.200 -0.333 0.000 0.846 498 S HN 0.547 nan 8.310 nan 0.000 0.495 499 P HA -0.126 nan 4.420 nan 0.000 0.217 499 P C 1.561 178.919 177.300 0.097 0.000 1.148 499 P CA 1.402 64.529 63.100 0.045 0.000 0.828 499 P CB -0.157 31.560 31.700 0.028 0.000 0.783 500 S N -2.086 113.711 115.700 0.162 0.000 2.469 500 S HA -0.129 4.380 4.470 0.065 0.000 0.238 500 S C 1.463 176.226 174.600 0.272 0.000 0.998 500 S CA 0.893 59.218 58.200 0.209 0.000 0.957 500 S CB -1.416 61.942 63.200 0.263 0.000 0.764 500 S HN -0.015 nan 8.310 nan 0.000 0.514 501 F N 2.180 122.119 119.950 -0.018 0.000 2.789 501 F HA 0.379 4.945 4.527 0.065 0.000 0.300 501 F C 1.989 177.715 175.800 -0.123 0.000 1.132 501 F CA -0.724 57.260 58.000 -0.027 0.000 1.404 501 F CB -0.574 38.444 39.000 0.030 0.000 1.114 501 F HN 0.356 nan 8.300 nan 0.000 0.584 502 G N 0.338 109.126 108.800 -0.021 0.000 3.574 502 G HA2 0.096 4.095 3.960 0.065 0.000 0.262 502 G HA3 0.096 4.095 3.960 0.065 0.000 0.262 502 G C -0.038 174.417 174.900 -0.741 0.000 1.231 502 G CA 0.096 45.006 45.100 -0.318 0.000 1.608 502 G HN 0.043 nan 8.290 nan 0.000 0.628 503 E N 0.005 119.697 120.200 -0.847 0.000 2.275 503 E HA 0.376 4.764 4.350 0.065 0.000 0.270 503 E C -0.922 175.222 176.600 -0.760 0.000 0.882 503 E CA -0.779 55.197 56.400 -0.707 0.000 0.758 503 E CB 1.671 31.217 29.700 -0.255 0.000 1.195 503 E HN 0.185 nan 8.360 nan 0.000 0.419 504 Y N 2.408 122.497 120.300 -0.351 0.000 2.499 504 Y HA 0.202 4.790 4.550 0.064 0.000 0.253 504 Y C 0.686 176.313 175.900 -0.455 0.000 1.105 504 Y CA -0.152 57.647 58.100 -0.502 0.000 1.240 504 Y CB 0.408 38.419 38.460 -0.749 0.000 1.289 504 Y HN 0.420 nan 8.280 nan 0.000 0.534 505 Y N -1.840 118.547 120.300 0.144 0.000 2.535 505 Y HA 0.166 4.756 4.550 0.066 0.000 0.264 505 Y C 2.230 178.194 175.900 0.107 0.000 1.087 505 Y CA 0.219 58.399 58.100 0.134 0.000 1.285 505 Y CB -0.171 38.371 38.460 0.138 0.000 1.200 505 Y HN -0.138 nan 8.280 nan 0.000 0.514 506 S N -0.677 115.159 115.700 0.226 0.000 2.383 506 S HA -0.154 4.355 4.470 0.065 0.000 0.227 506 S C 1.626 176.307 174.600 0.135 0.000 1.026 506 S CA 1.260 59.574 58.200 0.190 0.000 0.981 506 S CB -0.350 62.970 63.200 0.201 0.000 0.818 506 S HN 0.569 nan 8.310 nan 0.000 0.472 507 H N 0.751 119.742 119.070 -0.132 0.000 2.363 507 H HA 0.021 4.617 4.556 0.065 0.000 0.301 507 H C -0.592 174.525 175.328 -0.353 0.000 1.074 507 H CA 0.935 56.752 56.048 -0.386 0.000 1.354 507 H CB -1.239 28.074 29.762 -0.748 0.000 1.397 507 H HN 0.307 nan 8.280 nan 0.000 0.516 508 P HA -0.185 nan 4.420 nan 0.000 0.216 508 P C 1.641 179.129 177.300 0.313 0.000 1.153 508 P CA 1.491 64.748 63.100 0.262 0.000 0.858 508 P CB -0.107 31.769 31.700 0.294 0.000 0.789 509 R N -0.434 120.201 120.500 0.225 0.000 2.073 509 R HA -0.146 4.233 4.340 0.065 0.000 0.234 509 R C 2.163 178.595 176.300 0.219 0.000 1.134 509 R CA 1.265 57.502 56.100 0.228 0.000 0.952 509 R CB -1.148 29.248 30.300 0.160 0.000 0.850 509 R HN 0.045 nan 8.270 nan 0.000 0.433 510 L N 0.578 121.873 121.223 0.119 0.000 2.013 510 L HA -0.182 4.197 4.340 0.065 0.000 0.212 510 L C 2.041 178.971 176.870 0.101 0.000 1.073 510 L CA 1.876 56.750 54.840 0.057 0.000 0.753 510 L CB -0.869 41.147 42.059 -0.072 0.000 0.890 510 L HN 0.265 nan 8.230 nan 0.000 0.432 511 F N -0.663 119.311 119.950 0.039 0.000 2.095 511 F HA -0.312 4.254 4.527 0.066 0.000 0.298 511 F C 2.356 178.161 175.800 0.008 0.000 1.104 511 F CA 2.359 60.362 58.000 0.006 0.000 1.232 511 F CB -0.676 38.358 39.000 0.056 0.000 0.987 511 F HN 0.423 nan 8.300 nan 0.000 0.475 512 W N 1.339 122.637 121.300 -0.003 0.000 2.333 512 W HA -0.253 4.446 4.660 0.064 0.000 0.316 512 W C 1.764 178.158 176.519 -0.207 0.000 1.215 512 W CA 1.803 59.083 57.345 -0.107 0.000 1.278 512 W CB -0.782 28.703 29.460 0.043 0.000 1.154 512 W HN 0.078 nan 8.180 nan 0.000 0.486 513 L N 1.244 122.396 121.223 -0.120 0.000 2.456 513 L HA -0.153 4.226 4.340 0.065 0.000 0.224 513 L C 2.258 178.938 176.870 -0.316 0.000 1.148 513 L CA 0.953 55.651 54.840 -0.237 0.000 0.825 513 L CB -0.571 41.474 42.059 -0.024 0.000 0.937 513 L HN -0.116 nan 8.230 nan 0.000 0.450 514 S N -1.667 113.816 115.700 -0.361 0.000 2.548 514 S HA 0.079 4.588 4.470 0.065 0.000 0.215 514 S C 0.730 175.040 174.600 -0.483 0.000 0.976 514 S CA -0.033 57.953 58.200 -0.355 0.000 0.908 514 S CB 0.134 63.156 63.200 -0.297 0.000 0.781 514 S HN 0.279 nan 8.310 nan 0.000 0.519 515 Q N 2.122 121.529 119.800 -0.654 0.000 2.260 515 Q HA 0.312 4.691 4.340 0.065 0.000 0.238 515 Q C 0.578 176.185 176.000 -0.655 0.000 0.948 515 Q CA -0.110 55.268 55.803 -0.709 0.000 0.895 515 Q CB 0.514 28.754 28.738 -0.830 0.000 1.218 515 Q HN 0.417 nan 8.270 nan 0.000 0.470 516 T N -2.085 112.040 114.554 -0.715 0.000 2.766 516 T HA 0.179 4.568 4.350 0.065 0.000 0.295 516 T C -1.759 172.490 174.700 -0.752 0.000 1.024 516 T CA -1.347 60.308 62.100 -0.742 0.000 1.018 516 T CB 0.279 68.483 68.868 -1.107 0.000 1.002 516 T HN 0.228 nan 8.240 nan 0.000 0.532 517 P HA -0.029 nan 4.420 nan 0.000 0.216 517 P C 1.360 178.441 177.300 -0.364 0.000 1.150 517 P CA 0.971 63.852 63.100 -0.365 0.000 0.837 517 P CB -0.261 31.347 31.700 -0.154 0.000 0.786 518 F N -0.122 119.627 119.950 -0.335 0.000 2.259 518 F HA 0.051 4.617 4.527 0.065 0.000 0.298 518 F C 1.782 177.207 175.800 -0.625 0.000 1.088 518 F CA 0.778 58.515 58.000 -0.438 0.000 1.358 518 F CB -1.656 37.075 39.000 -0.447 0.000 1.040 518 F HN -0.098 nan 8.300 nan 0.000 0.505 519 E N 0.585 120.191 120.200 -0.989 0.000 2.106 519 E HA -0.199 4.190 4.350 0.065 0.000 0.192 519 E C 2.187 178.574 176.600 -0.355 0.000 0.984 519 E CA 1.332 57.374 56.400 -0.597 0.000 0.806 519 E CB -0.282 29.030 29.700 -0.647 0.000 0.750 519 E HN 0.632 nan 8.360 nan 0.000 0.458 520 Q N 0.413 119.928 119.800 -0.475 0.000 2.050 520 Q HA -0.170 4.209 4.340 0.065 0.000 0.202 520 Q C 2.312 178.330 176.000 0.031 0.000 0.980 520 Q CA 1.023 56.585 55.803 -0.401 0.000 0.840 520 Q CB -0.186 28.054 28.738 -0.829 0.000 0.898 520 Q HN 0.143 nan 8.270 nan 0.000 0.424 521 R N 0.330 120.826 120.500 -0.007 0.000 2.091 521 R HA -0.192 4.187 4.340 0.065 0.000 0.238 521 R C 1.782 178.259 176.300 0.295 0.000 1.136 521 R CA 1.755 57.948 56.100 0.155 0.000 0.959 521 R CB -0.206 30.167 30.300 0.121 0.000 0.856 521 R HN 0.519 nan 8.270 nan 0.000 0.437 522 H N -0.528 118.632 119.070 0.150 0.000 2.423 522 H HA -0.059 4.536 4.556 0.065 0.000 0.297 522 H C 2.240 177.685 175.328 0.196 0.000 1.075 522 H CA 1.154 57.308 56.048 0.177 0.000 1.342 522 H CB 0.052 29.923 29.762 0.182 0.000 1.395 522 H HN 0.219 nan 8.280 nan 0.000 0.530 523 I N 0.251 121.035 120.570 0.358 0.000 2.142 523 I HA -0.270 3.939 4.170 0.065 0.000 0.240 523 I C 2.328 178.747 176.117 0.502 0.000 1.078 523 I CA 0.849 62.401 61.300 0.420 0.000 1.343 523 I CB -0.186 38.148 38.000 0.556 0.000 1.046 523 I HN 0.074 nan 8.210 nan 0.000 0.405 524 V N 0.879 121.079 119.914 0.476 0.000 2.282 524 V HA -0.351 3.807 4.120 0.065 0.000 0.249 524 V C 2.056 178.331 176.094 0.301 0.000 1.057 524 V CA 2.193 64.714 62.300 0.368 0.000 1.032 524 V CB -0.683 31.314 31.823 0.291 0.000 0.645 524 V HN 0.432 nan 8.190 nan 0.000 0.447 525 D N 0.192 120.755 120.400 0.271 0.000 2.144 525 D HA -0.071 4.608 4.640 0.065 0.000 0.200 525 D C 2.176 178.570 176.300 0.156 0.000 0.978 525 D CA 1.483 55.611 54.000 0.213 0.000 0.833 525 D CB -0.591 40.337 40.800 0.214 0.000 0.961 525 D HN 0.469 nan 8.370 nan 0.000 0.470 526 G N 0.104 108.973 108.800 0.116 0.000 2.433 526 G HA2 -0.255 3.744 3.960 0.065 0.000 0.216 526 G HA3 -0.255 3.744 3.960 0.065 0.000 0.216 526 G C 1.469 176.381 174.900 0.021 0.000 1.186 526 G CA 0.234 45.310 45.100 -0.040 0.000 0.779 526 G HN 0.165 nan 8.290 nan 0.000 0.543 527 F N 1.863 121.861 119.950 0.080 0.000 2.120 527 F HA -0.120 4.446 4.527 0.065 0.000 0.300 527 F C 3.183 178.908 175.800 -0.126 0.000 1.095 527 F CA 1.700 59.682 58.000 -0.031 0.000 1.249 527 F CB -0.376 38.610 39.000 -0.023 0.000 0.995 527 F HN 0.092 nan 8.300 nan 0.000 0.480 528 S N -0.193 115.613 115.700 0.175 0.000 2.356 528 S HA -0.206 4.303 4.470 0.065 0.000 0.223 528 S C 1.873 176.492 174.600 0.033 0.000 1.032 528 S CA 1.235 59.479 58.200 0.074 0.000 1.005 528 S CB -0.828 62.437 63.200 0.108 0.000 0.867 528 S HN 0.391 nan 8.310 nan 0.000 0.449 529 F N 2.594 122.514 119.950 -0.050 0.000 2.069 529 F HA -0.147 4.419 4.527 0.064 0.000 0.298 529 F C 2.392 178.135 175.800 -0.095 0.000 1.113 529 F CA 1.629 59.587 58.000 -0.069 0.000 1.214 529 F CB -0.269 38.631 39.000 -0.167 0.000 0.978 529 F HN 0.152 nan 8.300 nan 0.000 0.474 530 E N 0.445 120.606 120.200 -0.065 0.000 2.051 530 E HA -0.212 4.177 4.350 0.065 0.000 0.192 530 E C 2.334 178.730 176.600 -0.339 0.000 0.991 530 E CA 1.653 57.984 56.400 -0.115 0.000 0.799 530 E CB -0.475 29.319 29.700 0.157 0.000 0.748 530 E HN 0.479 nan 8.360 nan 0.000 0.449 531 L N 1.290 122.236 121.223 -0.462 0.000 2.291 531 L HA -0.101 4.278 4.340 0.065 0.000 0.214 531 L C 2.666 179.368 176.870 -0.280 0.000 1.120 531 L CA 0.906 55.451 54.840 -0.492 0.000 0.799 531 L CB -0.388 41.394 42.059 -0.461 0.000 0.925 531 L HN 0.133 nan 8.230 nan 0.000 0.446 532 S N -0.603 114.948 115.700 -0.248 0.000 2.474 532 S HA -0.104 4.405 4.470 0.065 0.000 0.235 532 S C 1.700 176.186 174.600 -0.191 0.000 0.997 532 S CA 0.620 58.703 58.200 -0.196 0.000 0.949 532 S CB -0.101 62.988 63.200 -0.185 0.000 0.766 532 S HN 0.281 nan 8.310 nan 0.000 0.517 533 K N 1.165 121.431 120.400 -0.224 0.000 2.404 533 K HA 0.349 4.708 4.320 0.065 0.000 0.194 533 K C -0.088 176.507 176.600 -0.009 0.000 1.023 533 K CA -0.030 56.186 56.287 -0.118 0.000 1.094 533 K CB 0.071 32.495 32.500 -0.126 0.000 0.841 533 K HN 0.319 nan 8.250 nan 0.000 0.523 534 V N 2.189 122.076 119.914 -0.045 0.000 2.408 534 V HA 0.013 4.172 4.120 0.065 0.000 0.267 534 V C 1.697 177.776 176.094 -0.026 0.000 1.047 534 V CA -0.093 62.207 62.300 0.001 0.000 0.937 534 V CB 1.382 33.170 31.823 -0.058 0.000 0.999 534 V HN -0.127 nan 8.190 nan 0.000 0.472 535 V N 5.176 125.096 119.914 0.011 0.000 2.548 535 V HA -0.018 4.141 4.120 0.065 0.000 0.249 535 V C 1.321 177.396 176.094 -0.033 0.000 1.055 535 V CA 1.229 63.530 62.300 0.003 0.000 1.065 535 V CB -0.426 31.417 31.823 0.032 0.000 0.681 535 V HN 0.742 nan 8.190 nan 0.000 0.462 536 R N 0.791 121.241 120.500 -0.082 0.000 2.210 536 R HA 0.196 4.575 4.340 0.065 0.000 0.338 536 R C -1.781 174.377 176.300 -0.236 0.000 1.062 536 R CA -1.438 54.574 56.100 -0.147 0.000 0.902 536 R CB 0.812 30.944 30.300 -0.281 0.000 1.050 536 R HN 0.225 nan 8.270 nan 0.000 0.461 537 P HA -0.164 nan 4.420 nan 0.000 0.221 537 P C 0.664 177.911 177.300 -0.088 0.000 1.150 537 P CA 0.978 64.034 63.100 -0.073 0.000 0.800 537 P CB 0.039 31.740 31.700 0.002 0.000 0.787 538 Y N -1.307 118.993 120.300 0.001 0.000 2.333 538 Y HA -0.084 4.505 4.550 0.064 0.000 0.290 538 Y C 1.871 177.777 175.900 0.010 0.000 1.144 538 Y CA 0.668 58.769 58.100 0.002 0.000 1.228 538 Y CB -1.805 36.656 38.460 0.003 0.000 0.985 538 Y HN -0.111 nan 8.280 nan 0.000 0.542 539 I N 0.872 121.009 120.570 -0.723 0.000 2.252 539 I HA -0.247 3.962 4.170 0.065 0.000 0.245 539 I C 2.509 178.541 176.117 -0.141 0.000 1.102 539 I CA 1.427 62.511 61.300 -0.360 0.000 1.385 539 I CB -0.385 37.398 38.000 -0.361 0.000 1.064 539 I HN 0.187 nan 8.210 nan 0.000 0.414 540 R N 0.758 121.161 120.500 -0.163 0.000 2.081 540 R HA -0.177 4.201 4.340 0.065 0.000 0.235 540 R C 2.159 178.411 176.300 -0.081 0.000 1.131 540 R CA 1.448 57.466 56.100 -0.136 0.000 0.960 540 R CB -0.385 29.831 30.300 -0.140 0.000 0.856 540 R HN 0.422 nan 8.270 nan 0.000 0.436 541 E N 0.444 120.617 120.200 -0.044 0.000 2.077 541 E HA -0.176 4.213 4.350 0.065 0.000 0.193 541 E C 2.135 178.740 176.600 0.009 0.000 0.989 541 E CA 1.171 57.566 56.400 -0.008 0.000 0.800 541 E CB 0.007 29.726 29.700 0.032 0.000 0.746 541 E HN 0.245 nan 8.360 nan 0.000 0.452 542 R N 0.086 120.608 120.500 0.037 0.000 2.092 542 R HA -0.097 4.282 4.340 0.065 0.000 0.231 542 R C 2.354 178.681 176.300 0.045 0.000 1.119 542 R CA 0.968 57.103 56.100 0.057 0.000 0.970 542 R CB -0.168 30.188 30.300 0.093 0.000 0.864 542 R HN 0.060 nan 8.270 nan 0.000 0.440 543 V N 0.183 120.119 119.914 0.036 0.000 2.358 543 V HA -0.191 3.968 4.120 0.065 0.000 0.246 543 V C 2.214 178.294 176.094 -0.023 0.000 1.047 543 V CA 1.451 63.785 62.300 0.055 0.000 1.035 543 V CB -0.224 31.649 31.823 0.083 0.000 0.658 543 V HN 0.129 nan 8.190 nan 0.000 0.452 544 V N 0.476 120.351 119.914 -0.065 0.000 2.407 544 V HA -0.288 3.871 4.120 0.065 0.000 0.248 544 V C 2.273 178.325 176.094 -0.069 0.000 1.055 544 V CA 2.372 64.607 62.300 -0.109 0.000 1.049 544 V CB -0.646 31.118 31.823 -0.099 0.000 0.662 544 V HN 0.649 nan 8.190 nan 0.000 0.455 545 D N -0.447 119.946 120.400 -0.012 0.000 2.117 545 D HA -0.212 4.467 4.640 0.065 0.000 0.197 545 D C 2.267 178.637 176.300 0.117 0.000 0.987 545 D CA 1.449 55.474 54.000 0.041 0.000 0.829 545 D CB -0.034 40.807 40.800 0.068 0.000 0.961 545 D HN 0.509 nan 8.370 nan 0.000 0.460 546 Q N -0.386 119.461 119.800 0.079 0.000 2.084 546 Q HA -0.108 4.271 4.340 0.065 0.000 0.202 546 Q C 2.486 178.518 176.000 0.052 0.000 0.978 546 Q CA 0.902 56.766 55.803 0.102 0.000 0.844 546 Q CB -0.111 28.704 28.738 0.129 0.000 0.898 546 Q HN 0.398 nan 8.270 nan 0.000 0.426 547 L N 0.216 121.403 121.223 -0.060 0.000 2.079 547 L HA -0.192 4.187 4.340 0.065 0.000 0.210 547 L C 2.414 179.170 176.870 -0.190 0.000 1.081 547 L CA 0.901 55.628 54.840 -0.189 0.000 0.752 547 L CB -0.611 41.229 42.059 -0.365 0.000 0.896 547 L HN 0.220 nan 8.230 nan 0.000 0.433 548 A N -0.922 121.806 122.820 -0.154 0.000 2.125 548 A HA -0.203 4.156 4.320 0.065 0.000 0.219 548 A C 1.743 179.141 177.584 -0.311 0.000 1.156 548 A CA 1.260 53.169 52.037 -0.214 0.000 0.671 548 A CB -0.731 18.151 19.000 -0.196 0.000 0.794 548 A HN 0.456 nan 8.150 nan 0.000 0.459 549 H N -1.231 117.642 119.070 -0.329 0.000 2.548 549 H HA 0.250 4.845 4.556 0.065 0.000 0.268 549 H C 1.607 176.674 175.328 -0.435 0.000 0.975 549 H CA 1.027 56.749 56.048 -0.543 0.000 1.195 549 H CB 0.089 29.139 29.762 -1.186 0.000 1.397 549 H HN 0.504 nan 8.280 nan 0.000 0.572 550 I N -1.139 119.337 120.570 -0.155 0.000 2.681 550 I HA 0.067 4.276 4.170 0.065 0.000 0.247 550 I C -0.089 175.960 176.117 -0.114 0.000 1.091 550 I CA 0.520 61.793 61.300 -0.046 0.000 1.442 550 I CB 0.606 38.607 38.000 0.000 0.000 1.219 550 I HN 0.098 nan 8.210 nan 0.000 0.451 551 D N -0.957 119.300 120.400 -0.239 0.000 2.931 551 D HA 0.222 4.901 4.640 0.065 0.000 0.215 551 D C 0.158 176.285 176.300 -0.289 0.000 1.297 551 D CA -0.417 53.420 54.000 -0.273 0.000 0.892 551 D CB 1.404 41.913 40.800 -0.484 0.000 1.642 551 D HN -0.200 nan 8.370 nan 0.000 0.560 552 L N 2.513 123.627 121.223 -0.183 0.000 2.141 552 L HA 0.013 4.392 4.340 0.065 0.000 0.209 552 L C 2.177 178.958 176.870 -0.148 0.000 1.094 552 L CA 1.681 56.426 54.840 -0.159 0.000 0.763 552 L CB -1.123 40.871 42.059 -0.108 0.000 0.908 552 L HN 0.635 nan 8.230 nan 0.000 0.437 553 T N -0.281 114.208 114.554 -0.109 0.000 2.737 553 T HA -0.183 4.206 4.350 0.065 0.000 0.265 553 T C 1.887 176.510 174.700 -0.129 0.000 1.038 553 T CA 1.366 63.444 62.100 -0.036 0.000 1.144 553 T CB -0.374 68.569 68.868 0.125 0.000 0.866 553 T HN 0.198 nan 8.240 nan 0.000 0.434 554 L N 1.790 122.759 121.223 -0.424 0.000 1.990 554 L HA -0.093 4.286 4.340 0.065 0.000 0.213 554 L C 2.589 179.219 176.870 -0.400 0.000 1.072 554 L CA 2.260 56.687 54.840 -0.689 0.000 0.755 554 L CB -1.124 40.099 42.059 -1.393 0.000 0.889 554 L HN 0.231 nan 8.230 nan 0.000 0.432 555 A N -1.267 121.336 122.820 -0.361 0.000 1.902 555 A HA -0.255 4.104 4.320 0.065 0.000 0.217 555 A C 2.221 179.698 177.584 -0.179 0.000 1.181 555 A CA 1.840 53.713 52.037 -0.274 0.000 0.623 555 A CB -0.647 18.212 19.000 -0.236 0.000 0.818 555 A HN 0.698 nan 8.150 nan 0.000 0.443 556 Q N -0.821 118.897 119.800 -0.136 0.000 2.124 556 Q HA -0.076 4.303 4.340 0.065 0.000 0.202 556 Q C 2.378 178.345 176.000 -0.054 0.000 0.977 556 Q CA 1.296 57.051 55.803 -0.080 0.000 0.850 556 Q CB -0.328 28.379 28.738 -0.052 0.000 0.901 556 Q HN 0.704 nan 8.270 nan 0.000 0.429 557 A N 0.059 122.850 122.820 -0.049 0.000 1.897 557 A HA -0.099 4.260 4.320 0.065 0.000 0.215 557 A C 2.285 179.867 177.584 -0.003 0.000 1.181 557 A CA 1.019 53.058 52.037 0.003 0.000 0.620 557 A CB -0.540 18.490 19.000 0.050 0.000 0.821 557 A HN 0.196 nan 8.150 nan 0.000 0.443 558 V N 0.139 120.023 119.914 -0.051 0.000 2.287 558 V HA -0.274 3.884 4.120 0.065 0.000 0.248 558 V C 3.060 179.121 176.094 -0.057 0.000 1.053 558 V CA 2.008 64.274 62.300 -0.055 0.000 1.027 558 V CB -1.349 30.387 31.823 -0.146 0.000 0.646 558 V HN 0.599 nan 8.190 nan 0.000 0.447 559 A N -0.311 122.465 122.820 -0.074 0.000 1.908 559 A HA -0.285 4.074 4.320 0.065 0.000 0.218 559 A C 2.360 179.924 177.584 -0.034 0.000 1.181 559 A CA 2.277 54.278 52.037 -0.061 0.000 0.627 559 A CB -0.516 18.444 19.000 -0.066 0.000 0.818 559 A HN 0.536 nan 8.150 nan 0.000 0.445 560 K N -0.366 120.021 120.400 -0.021 0.000 2.026 560 K HA -0.179 4.180 4.320 0.065 0.000 0.208 560 K C 1.494 178.098 176.600 0.006 0.000 1.048 560 K CA 1.558 57.843 56.287 -0.003 0.000 0.929 560 K CB -0.216 32.289 32.500 0.009 0.000 0.713 560 K HN 0.423 nan 8.250 nan 0.000 0.439 561 N N 0.700 119.407 118.700 0.013 0.000 2.443 561 N HA -0.121 4.657 4.740 0.065 0.000 0.184 561 N C 1.217 176.729 175.510 0.003 0.000 1.037 561 N CA 0.911 53.975 53.050 0.023 0.000 0.896 561 N CB 0.080 38.595 38.487 0.046 0.000 0.959 561 N HN 0.285 nan 8.380 nan 0.000 0.442 562 L N -1.088 120.125 121.223 -0.017 0.000 2.693 562 L HA 0.278 4.657 4.340 0.065 0.000 0.235 562 L C 0.941 177.797 176.870 -0.024 0.000 1.127 562 L CA -0.113 54.708 54.840 -0.032 0.000 0.914 562 L CB 0.127 42.152 42.059 -0.057 0.000 1.193 562 L HN 0.047 nan 8.230 nan 0.000 0.502 563 G N 1.592 110.384 108.800 -0.013 0.000 2.221 563 G HA2 -0.288 3.711 3.960 0.065 0.000 0.265 563 G HA3 -0.288 3.711 3.960 0.065 0.000 0.265 563 G C -0.010 174.882 174.900 -0.013 0.000 1.041 563 G CA 0.137 45.231 45.100 -0.009 0.000 0.807 563 G HN 0.312 nan 8.290 nan 0.000 0.502 564 I N -0.175 120.382 120.570 -0.021 0.000 2.460 564 I HA 0.469 4.678 4.170 0.065 0.000 0.298 564 I C 0.324 176.426 176.117 -0.024 0.000 0.989 564 I CA -0.700 60.586 61.300 -0.024 0.000 1.173 564 I CB 1.856 39.835 38.000 -0.035 0.000 1.338 564 I HN 0.154 nan 8.210 nan 0.000 0.456 565 E N 6.080 126.267 120.200 -0.021 0.000 2.145 565 E HA 0.410 4.799 4.350 0.065 0.000 0.270 565 E C -1.045 175.538 176.600 -0.028 0.000 0.906 565 E CA -0.734 55.653 56.400 -0.022 0.000 0.761 565 E CB 1.250 30.941 29.700 -0.015 0.000 1.116 565 E HN 0.472 nan 8.360 nan 0.000 0.408 566 L N 3.809 125.011 121.223 -0.037 0.000 2.490 566 L HA 0.074 4.453 4.340 0.065 0.000 0.274 566 L C 1.064 177.912 176.870 -0.036 0.000 1.201 566 L CA 0.043 54.857 54.840 -0.044 0.000 0.869 566 L CB 0.247 42.271 42.059 -0.059 0.000 1.123 566 L HN 0.689 nan 8.230 nan 0.000 0.484 567 T N -1.806 112.727 114.554 -0.035 0.000 2.766 567 T HA 0.045 4.434 4.350 0.065 0.000 0.295 567 T C 0.817 175.495 174.700 -0.036 0.000 1.024 567 T CA -0.795 61.287 62.100 -0.029 0.000 1.018 567 T CB 1.046 69.900 68.868 -0.023 0.000 1.002 567 T HN 0.496 nan 8.240 nan 0.000 0.532 568 D N 0.677 121.059 120.400 -0.029 0.000 2.116 568 D HA -0.103 4.576 4.640 0.065 0.000 0.193 568 D C 1.761 178.036 176.300 -0.041 0.000 0.998 568 D CA 1.400 55.381 54.000 -0.032 0.000 0.836 568 D CB -0.431 40.355 40.800 -0.024 0.000 0.951 568 D HN 0.626 nan 8.370 nan 0.000 0.449 569 D N 0.435 120.813 120.400 -0.038 0.000 2.133 569 D HA -0.155 4.524 4.640 0.065 0.000 0.195 569 D C 2.129 178.383 176.300 -0.076 0.000 0.997 569 D CA 0.896 54.868 54.000 -0.046 0.000 0.840 569 D CB -0.312 40.469 40.800 -0.032 0.000 0.947 569 D HN 0.372 nan 8.370 nan 0.000 0.452 570 Q N -0.240 119.514 119.800 -0.077 0.000 2.079 570 Q HA -0.029 4.350 4.340 0.065 0.000 0.200 570 Q C 2.416 178.340 176.000 -0.126 0.000 0.974 570 Q CA 0.568 56.302 55.803 -0.116 0.000 0.840 570 Q CB -0.099 28.585 28.738 -0.090 0.000 0.898 570 Q HN 0.315 nan 8.270 nan 0.000 0.430 571 L N 0.845 122.014 121.223 -0.090 0.000 2.353 571 L HA -0.154 4.225 4.340 0.065 0.000 0.220 571 L C 1.211 178.030 176.870 -0.085 0.000 1.133 571 L CA 0.505 55.296 54.840 -0.082 0.000 0.798 571 L CB -0.183 41.842 42.059 -0.057 0.000 0.922 571 L HN 0.225 nan 8.230 nan 0.000 0.445 572 N N -0.221 118.426 118.700 -0.089 0.000 2.235 572 N HA 0.238 5.017 4.740 0.065 0.000 0.209 572 N C 0.308 175.756 175.510 -0.104 0.000 1.122 572 N CA 0.040 53.043 53.050 -0.079 0.000 0.845 572 N CB 0.538 38.992 38.487 -0.056 0.000 1.004 572 N HN 0.234 nan 8.380 nan 0.000 0.499 573 I N 1.868 122.340 120.570 -0.162 0.000 2.598 573 I HA -0.040 4.169 4.170 0.065 0.000 0.284 573 I C 0.372 176.393 176.117 -0.160 0.000 1.140 573 I CA 0.295 61.462 61.300 -0.221 0.000 1.420 573 I CB 0.225 37.956 38.000 -0.448 0.000 1.387 573 I HN -0.158 nan 8.210 nan 0.000 0.553 574 T N 7.915 122.405 114.554 -0.107 0.000 2.853 574 T HA 0.153 4.541 4.350 0.065 0.000 0.298 574 T C -2.046 172.616 174.700 -0.062 0.000 0.978 574 T CA -0.892 61.172 62.100 -0.061 0.000 1.152 574 T CB 0.034 68.888 68.868 -0.022 0.000 0.914 574 T HN 0.377 nan 8.240 nan 0.000 0.539 575 P HA 0.148 nan 4.420 nan 0.000 0.267 575 P C -2.158 175.155 177.300 0.023 0.000 1.200 575 P CA -1.158 61.928 63.100 -0.023 0.000 0.772 575 P CB -0.379 31.319 31.700 -0.004 0.000 0.855 576 P HA 0.176 nan 4.420 nan 0.000 0.270 576 P C -2.510 174.845 177.300 0.093 0.000 1.223 576 P CA -1.229 61.939 63.100 0.113 0.000 0.785 576 P CB -0.827 30.988 31.700 0.193 0.000 0.923 577 P HA 0.072 nan 4.420 nan 0.000 0.268 577 P C -0.183 177.169 177.300 0.086 0.000 1.208 577 P CA 0.321 63.470 63.100 0.082 0.000 0.777 577 P CB 0.097 31.849 31.700 0.087 0.000 0.875 578 D N 0.249 120.691 120.400 0.071 0.000 2.419 578 D HA 0.010 4.689 4.640 0.065 0.000 0.236 578 D C -0.116 176.234 176.300 0.083 0.000 1.165 578 D CA 0.268 54.307 54.000 0.065 0.000 0.882 578 D CB 0.280 41.112 40.800 0.054 0.000 1.201 578 D HN -0.040 nan 8.370 nan 0.000 0.443 579 V N 3.040 122.994 119.914 0.068 0.000 2.353 579 V HA 0.060 4.219 4.120 0.065 0.000 0.264 579 V C 0.420 176.603 176.094 0.149 0.000 1.049 579 V CA -0.439 61.928 62.300 0.111 0.000 0.896 579 V CB -0.330 31.467 31.823 -0.043 0.000 1.025 579 V HN 0.621 nan 8.190 nan 0.000 0.475 580 N N 4.452 123.257 118.700 0.175 0.000 2.716 580 N HA -0.237 4.542 4.740 0.065 0.000 0.250 580 N C 1.163 176.729 175.510 0.094 0.000 1.033 580 N CA 0.966 54.099 53.050 0.139 0.000 0.727 580 N CB -0.847 37.759 38.487 0.198 0.000 0.950 580 N HN 1.276 nan 8.380 nan 0.000 0.541 581 G N -2.020 106.824 108.800 0.073 0.000 2.176 581 G HA2 -0.322 3.677 3.960 0.065 0.000 0.253 581 G HA3 -0.322 3.677 3.960 0.065 0.000 0.253 581 G C 0.111 175.039 174.900 0.047 0.000 0.979 581 G CA 0.316 45.447 45.100 0.052 0.000 0.641 581 G HN 0.385 nan 8.290 nan 0.000 0.530 582 L N 0.471 121.726 121.223 0.054 0.000 2.331 582 L HA 0.402 4.781 4.340 0.065 0.000 0.278 582 L C 1.581 178.466 176.870 0.024 0.000 1.106 582 L CA -0.609 54.253 54.840 0.037 0.000 0.824 582 L CB 1.017 43.098 42.059 0.037 0.000 1.142 582 L HN -0.062 nan 8.230 nan 0.000 0.443 583 K N 2.707 123.116 120.400 0.014 0.000 2.356 583 K HA 0.105 4.464 4.320 0.065 0.000 0.195 583 K C -0.124 176.470 176.600 -0.010 0.000 1.037 583 K CA 0.387 56.678 56.287 0.008 0.000 1.014 583 K CB 0.430 32.932 32.500 0.002 0.000 0.815 583 K HN 0.664 nan 8.250 nan 0.000 0.507 584 K N -0.412 119.978 120.400 -0.016 0.000 2.870 584 K HA 0.196 4.555 4.320 0.065 0.000 0.290 584 K C -2.156 174.427 176.600 -0.028 0.000 1.070 584 K CA -0.852 55.410 56.287 -0.043 0.000 0.843 584 K CB 1.042 33.496 32.500 -0.076 0.000 1.475 584 K HN -0.248 nan 8.250 nan 0.000 0.359 585 D N 1.492 121.869 120.400 -0.038 0.000 2.478 585 D HA 0.331 5.010 4.640 0.065 0.000 0.240 585 D C -2.270 174.014 176.300 -0.027 0.000 1.364 585 D CA -1.973 52.023 54.000 -0.007 0.000 0.987 585 D CB 2.286 43.103 40.800 0.029 0.000 1.328 585 D HN 0.270 nan 8.370 nan 0.000 0.584 586 P HA -0.060 nan 4.420 nan 0.000 0.226 586 P C 1.213 178.504 177.300 -0.015 0.000 1.153 586 P CA 0.676 63.747 63.100 -0.049 0.000 0.777 586 P CB 0.256 31.938 31.700 -0.029 0.000 0.794 587 S N -1.118 114.607 115.700 0.041 0.000 2.547 587 S HA -0.032 4.477 4.470 0.065 0.000 0.235 587 S C 1.548 176.229 174.600 0.135 0.000 0.980 587 S CA 0.701 58.962 58.200 0.101 0.000 0.941 587 S CB -1.281 62.008 63.200 0.149 0.000 0.763 587 S HN 0.156 nan 8.310 nan 0.000 0.532 588 L N 1.191 122.451 121.223 0.062 0.000 2.558 588 L HA 0.243 4.622 4.340 0.065 0.000 0.225 588 L C 1.309 178.066 176.870 -0.189 0.000 1.128 588 L CA 0.002 54.867 54.840 0.042 0.000 0.868 588 L CB -0.165 41.910 42.059 0.026 0.000 1.006 588 L HN 0.312 nan 8.230 nan 0.000 0.454 589 S N -0.304 115.275 115.700 -0.201 0.000 2.554 589 S HA 0.322 4.831 4.470 0.065 0.000 0.278 589 S C 1.090 175.555 174.600 -0.224 0.000 1.242 589 S CA -0.641 57.378 58.200 -0.302 0.000 1.051 589 S CB 1.345 64.374 63.200 -0.285 0.000 0.986 589 S HN 0.176 nan 8.310 nan 0.000 0.502 590 L N 3.470 124.471 121.223 -0.369 0.000 2.141 590 L HA -0.018 4.361 4.340 0.065 0.000 0.209 590 L C 0.845 177.429 176.870 -0.476 0.000 1.094 590 L CA 1.222 55.748 54.840 -0.523 0.000 0.763 590 L CB -0.307 41.132 42.059 -1.033 0.000 0.908 590 L HN 0.759 nan 8.230 nan 0.000 0.437 591 Y N -2.324 117.967 120.300 -0.015 0.000 2.471 591 Y HA 0.345 4.934 4.550 0.065 0.000 0.249 591 Y C 2.071 177.989 175.900 0.031 0.000 1.116 591 Y CA -0.199 57.943 58.100 0.068 0.000 1.240 591 Y CB -0.389 38.139 38.460 0.114 0.000 1.251 591 Y HN -0.048 nan 8.280 nan 0.000 0.527 592 A N 0.401 123.247 122.820 0.043 0.000 1.933 592 A HA -0.018 4.340 4.320 0.065 0.000 0.218 592 A C 0.899 178.518 177.584 0.058 0.000 1.175 592 A CA 1.099 53.141 52.037 0.007 0.000 0.628 592 A CB -0.390 18.555 19.000 -0.090 0.000 0.814 592 A HN 0.139 nan 8.150 nan 0.000 0.444 593 I N 0.956 121.566 120.570 0.067 0.000 2.328 593 I HA 0.274 4.483 4.170 0.065 0.000 0.287 593 I C -2.622 173.565 176.117 0.118 0.000 1.012 593 I CA -2.567 58.781 61.300 0.079 0.000 1.195 593 I CB 0.554 38.591 38.000 0.061 0.000 1.350 593 I HN -0.011 nan 8.210 nan 0.000 0.464 594 P HA 0.058 nan 4.420 nan 0.000 0.264 594 P C -0.102 177.273 177.300 0.125 0.000 1.183 594 P CA 0.360 63.551 63.100 0.151 0.000 0.763 594 P CB 0.493 32.268 31.700 0.124 0.000 0.807 595 D N 0.965 121.449 120.400 0.140 0.000 2.881 595 D HA 0.105 4.783 4.640 0.065 0.000 0.325 595 D C 0.387 176.749 176.300 0.105 0.000 1.621 595 D CA -0.431 53.635 54.000 0.109 0.000 0.785 595 D CB -0.500 40.362 40.800 0.103 0.000 1.233 595 D HN 0.332 nan 8.370 nan 0.000 0.447 596 G N 0.132 109.000 108.800 0.115 0.000 2.544 596 G HA2 0.368 4.367 3.960 0.065 0.000 0.242 596 G HA3 0.368 4.367 3.960 0.065 0.000 0.242 596 G C -0.650 174.288 174.900 0.064 0.000 1.247 596 G CA -0.010 45.150 45.100 0.100 0.000 0.840 596 G HN 0.195 nan 8.290 nan 0.000 0.578 597 D N 0.419 120.850 120.400 0.051 0.000 2.613 597 D HA 0.135 4.814 4.640 0.065 0.000 0.230 597 D C 0.911 177.224 176.300 0.021 0.000 1.365 597 D CA -0.487 53.530 54.000 0.028 0.000 0.976 597 D CB 1.509 42.320 40.800 0.018 0.000 1.415 597 D HN 0.330 nan 8.370 nan 0.000 0.589 598 V N 1.872 121.792 119.914 0.011 0.000 3.306 598 V HA 0.190 4.349 4.120 0.065 0.000 0.264 598 V C 1.079 177.158 176.094 -0.025 0.000 1.149 598 V CA 0.318 62.620 62.300 0.003 0.000 1.143 598 V CB -0.752 31.067 31.823 -0.006 0.000 0.767 598 V HN 0.415 nan 8.190 nan 0.000 0.476 599 K N 1.155 121.532 120.400 -0.038 0.000 2.451 599 K HA 0.385 4.744 4.320 0.065 0.000 0.280 599 K C 1.252 177.814 176.600 -0.063 0.000 1.020 599 K CA 1.042 57.284 56.287 -0.075 0.000 1.008 599 K CB 0.188 32.651 32.500 -0.063 0.000 0.917 599 K HN 0.663 nan 8.250 nan 0.000 0.478 600 G N 3.229 111.961 108.800 -0.114 0.000 2.234 600 G HA2 -0.218 3.781 3.960 0.065 0.000 0.235 600 G HA3 -0.218 3.781 3.960 0.065 0.000 0.235 600 G C 0.131 175.081 174.900 0.084 0.000 0.997 600 G CA -0.214 44.896 45.100 0.017 0.000 0.623 600 G HN 0.584 nan 8.290 nan 0.000 0.514 601 R N -0.079 120.437 120.500 0.028 0.000 2.822 601 R HA 0.634 5.013 4.340 0.065 0.000 0.277 601 R C 0.002 176.362 176.300 0.100 0.000 1.102 601 R CA 0.200 56.346 56.100 0.077 0.000 1.207 601 R CB 0.721 31.059 30.300 0.062 0.000 1.139 601 R HN 0.727 nan 8.270 nan 0.000 0.557 602 V N 0.334 120.323 119.914 0.125 0.000 2.808 602 V HA 0.391 4.550 4.120 0.065 0.000 0.308 602 V C -1.081 175.081 176.094 0.114 0.000 1.099 602 V CA -0.737 61.653 62.300 0.149 0.000 0.920 602 V CB 2.454 34.391 31.823 0.190 0.000 1.014 602 V HN 0.368 nan 8.190 nan 0.000 0.425 603 V N 5.535 125.509 119.914 0.101 0.000 2.581 603 V HA 0.848 5.007 4.120 0.065 0.000 0.303 603 V C 0.501 176.652 176.094 0.096 0.000 1.041 603 V CA -0.103 62.246 62.300 0.082 0.000 0.907 603 V CB 1.796 33.652 31.823 0.056 0.000 0.994 603 V HN 1.186 nan 8.190 nan 0.000 0.442 604 A N 5.416 128.298 122.820 0.103 0.000 2.309 604 A HA 0.804 5.163 4.320 0.065 0.000 0.298 604 A C -0.538 177.056 177.584 0.018 0.000 1.165 604 A CA -0.355 51.728 52.037 0.078 0.000 0.821 604 A CB 0.247 19.317 19.000 0.118 0.000 1.102 604 A HN 0.757 nan 8.150 nan 0.000 0.500 605 I N 3.392 123.968 120.570 0.010 0.000 2.382 605 I HA 0.201 4.410 4.170 0.065 0.000 0.285 605 I C -0.703 175.420 176.117 0.009 0.000 1.007 605 I CA -0.202 61.106 61.300 0.012 0.000 1.142 605 I CB 1.326 39.345 38.000 0.032 0.000 1.289 605 I HN 0.497 nan 8.210 nan 0.000 0.453 606 L N 7.234 128.447 121.223 -0.017 0.000 2.283 606 L HA 0.398 4.777 4.340 0.065 0.000 0.287 606 L C 0.083 177.053 176.870 0.166 0.000 1.073 606 L CA -0.367 54.522 54.840 0.080 0.000 0.822 606 L CB 0.300 42.261 42.059 -0.163 0.000 1.186 606 L HN 0.437 nan 8.230 nan 0.000 0.436 607 L N 3.560 124.930 121.223 0.246 0.000 2.475 607 L HA 0.294 4.673 4.340 0.065 0.000 0.253 607 L C 0.154 177.203 176.870 0.298 0.000 1.198 607 L CA -0.406 54.533 54.840 0.165 0.000 0.814 607 L CB 0.743 42.799 42.059 -0.005 0.000 1.134 607 L HN 0.706 nan 8.230 nan 0.000 0.478 608 N N -2.197 116.579 118.700 0.127 0.000 2.629 608 N HA 0.229 5.008 4.740 0.065 0.000 0.279 608 N C -0.354 175.120 175.510 -0.060 0.000 1.344 608 N CA -0.790 52.373 53.050 0.188 0.000 0.789 608 N CB 0.772 39.366 38.487 0.177 0.000 1.508 608 N HN 0.538 nan 8.380 nan 0.000 0.516 609 D N -1.845 118.561 120.400 0.009 0.000 2.378 609 D HA -0.060 4.619 4.640 0.065 0.000 0.227 609 D C -0.275 175.983 176.300 -0.069 0.000 1.012 609 D CA 0.734 54.672 54.000 -0.104 0.000 0.905 609 D CB -0.067 40.751 40.800 0.030 0.000 0.895 609 D HN 0.735 nan 8.370 nan 0.000 0.532 610 E N 0.320 120.498 120.200 -0.036 0.000 3.544 610 E HA 0.231 4.620 4.350 0.065 0.000 0.264 610 E C -1.246 175.339 176.600 -0.026 0.000 1.225 610 E CA -0.456 55.925 56.400 -0.031 0.000 1.045 610 E CB 0.568 30.260 29.700 -0.013 0.000 1.338 610 E HN -0.109 nan 8.360 nan 0.000 0.395 611 V N 2.112 122.002 119.914 -0.040 0.000 2.763 611 V HA 0.043 4.202 4.120 0.065 0.000 0.306 611 V C 0.914 176.991 176.094 -0.027 0.000 1.059 611 V CA 0.236 62.520 62.300 -0.028 0.000 1.138 611 V CB 0.852 32.653 31.823 -0.036 0.000 0.940 611 V HN 0.505 nan 8.190 nan 0.000 0.489 612 R N 3.076 123.561 120.500 -0.025 0.000 2.357 612 R HA 0.068 4.446 4.340 0.065 0.000 0.330 612 R C 1.543 177.821 176.300 -0.036 0.000 1.102 612 R CA 0.469 56.550 56.100 -0.032 0.000 0.974 612 R CB 0.360 30.636 30.300 -0.039 0.000 1.002 612 R HN 1.008 nan 8.270 nan 0.000 0.463 613 S N 3.303 118.984 115.700 -0.032 0.000 2.399 613 S HA -0.191 4.318 4.470 0.065 0.000 0.231 613 S C 1.995 176.576 174.600 -0.032 0.000 1.022 613 S CA 0.855 59.037 58.200 -0.030 0.000 0.983 613 S CB -0.058 63.126 63.200 -0.026 0.000 0.803 613 S HN 0.672 nan 8.310 nan 0.000 0.480 614 A N 2.397 125.196 122.820 -0.036 0.000 1.908 614 A HA -0.157 4.202 4.320 0.065 0.000 0.218 614 A C 1.999 179.550 177.584 -0.055 0.000 1.181 614 A CA 1.860 53.873 52.037 -0.041 0.000 0.627 614 A CB -1.021 17.954 19.000 -0.042 0.000 0.818 614 A HN 0.488 nan 8.150 nan 0.000 0.445 615 D N -0.638 119.720 120.400 -0.070 0.000 2.097 615 D HA -0.121 4.558 4.640 0.065 0.000 0.195 615 D C 1.825 178.089 176.300 -0.061 0.000 0.989 615 D CA 1.207 55.148 54.000 -0.099 0.000 0.827 615 D CB -0.373 40.358 40.800 -0.115 0.000 0.966 615 D HN 0.313 nan 8.370 nan 0.000 0.456 616 L N 0.232 121.432 121.223 -0.037 0.000 2.093 616 L HA -0.088 4.291 4.340 0.065 0.000 0.208 616 L C 2.077 178.941 176.870 -0.010 0.000 1.085 616 L CA 1.082 55.912 54.840 -0.016 0.000 0.755 616 L CB -0.546 41.504 42.059 -0.015 0.000 0.904 616 L HN -0.017 nan 8.230 nan 0.000 0.435 617 L N -0.344 120.870 121.223 -0.016 0.000 1.989 617 L HA -0.198 4.181 4.340 0.065 0.000 0.211 617 L C 2.586 179.453 176.870 -0.004 0.000 1.071 617 L CA 2.199 57.033 54.840 -0.010 0.000 0.749 617 L CB -1.132 40.919 42.059 -0.014 0.000 0.890 617 L HN 0.334 nan 8.230 nan 0.000 0.431 618 A N -0.993 121.820 122.820 -0.012 0.000 1.930 618 A HA -0.133 4.226 4.320 0.065 0.000 0.217 618 A C 2.260 179.858 177.584 0.024 0.000 1.175 618 A CA 1.632 53.668 52.037 -0.001 0.000 0.627 618 A CB -0.688 18.300 19.000 -0.020 0.000 0.815 618 A HN 0.432 nan 8.150 nan 0.000 0.443 619 I N -0.293 120.293 120.570 0.026 0.000 2.163 619 I HA -0.247 3.962 4.170 0.065 0.000 0.240 619 I C 2.308 178.452 176.117 0.044 0.000 1.081 619 I CA 1.224 62.561 61.300 0.061 0.000 1.353 619 I CB -0.384 37.656 38.000 0.066 0.000 1.054 619 I HN 0.261 nan 8.210 nan 0.000 0.407 620 L N 0.595 121.835 121.223 0.029 0.000 2.141 620 L HA -0.192 4.187 4.340 0.065 0.000 0.209 620 L C 2.612 179.493 176.870 0.018 0.000 1.094 620 L CA 1.189 56.044 54.840 0.024 0.000 0.763 620 L CB -0.616 41.455 42.059 0.020 0.000 0.908 620 L HN 0.274 nan 8.230 nan 0.000 0.437 621 K N 0.853 121.262 120.400 0.016 0.000 2.026 621 K HA -0.174 4.184 4.320 0.065 0.000 0.208 621 K C 2.162 178.769 176.600 0.012 0.000 1.048 621 K CA 1.434 57.728 56.287 0.012 0.000 0.929 621 K CB -0.066 32.440 32.500 0.010 0.000 0.713 621 K HN 0.232 nan 8.250 nan 0.000 0.439 622 A N 1.382 124.215 122.820 0.021 0.000 1.929 622 A HA -0.052 4.306 4.320 0.065 0.000 0.216 622 A C 2.131 179.720 177.584 0.008 0.000 1.176 622 A CA 1.012 53.062 52.037 0.020 0.000 0.628 622 A CB -0.534 18.489 19.000 0.039 0.000 0.816 622 A HN 0.318 nan 8.150 nan 0.000 0.444 623 L N -0.403 120.826 121.223 0.010 0.000 2.042 623 L HA -0.224 4.155 4.340 0.065 0.000 0.210 623 L C 2.677 179.527 176.870 -0.034 0.000 1.076 623 L CA 2.017 56.850 54.840 -0.011 0.000 0.749 623 L CB -0.501 41.560 42.059 0.003 0.000 0.893 623 L HN 0.483 nan 8.230 nan 0.000 0.432 624 K N 0.629 121.018 120.400 -0.018 0.000 2.097 624 K HA -0.173 4.186 4.320 0.065 0.000 0.206 624 K C 2.067 178.650 176.600 -0.029 0.000 1.049 624 K CA 1.345 57.618 56.287 -0.022 0.000 0.933 624 K CB -0.039 32.460 32.500 -0.003 0.000 0.717 624 K HN 0.265 nan 8.250 nan 0.000 0.442 625 A N 1.094 123.903 122.820 -0.018 0.000 2.070 625 A HA -0.082 4.277 4.320 0.065 0.000 0.220 625 A C 1.537 179.105 177.584 -0.026 0.000 1.159 625 A CA 1.212 53.239 52.037 -0.016 0.000 0.656 625 A CB -0.035 18.961 19.000 -0.006 0.000 0.800 625 A HN 0.164 nan 8.150 nan 0.000 0.453 626 K N -1.406 118.971 120.400 -0.037 0.000 2.373 626 K HA 0.223 4.582 4.320 0.065 0.000 0.202 626 K C 0.860 177.412 176.600 -0.080 0.000 1.025 626 K CA 0.574 56.833 56.287 -0.045 0.000 1.115 626 K CB 0.184 32.663 32.500 -0.035 0.000 0.858 626 K HN 0.670 nan 8.250 nan 0.000 0.525 627 G N 1.656 110.391 108.800 -0.109 0.000 2.176 627 G HA2 -0.231 3.768 3.960 0.065 0.000 0.252 627 G HA3 -0.231 3.768 3.960 0.065 0.000 0.252 627 G C 0.039 174.734 174.900 -0.342 0.000 1.024 627 G CA 0.217 45.203 45.100 -0.190 0.000 0.755 627 G HN 0.109 nan 8.290 nan 0.000 0.507 628 V N 2.479 122.238 119.914 -0.257 0.000 2.407 628 V HA 0.430 4.589 4.120 0.065 0.000 0.278 628 V C 0.770 176.706 176.094 -0.262 0.000 1.037 628 V CA -1.087 61.065 62.300 -0.247 0.000 0.900 628 V CB 1.132 32.899 31.823 -0.093 0.000 0.983 628 V HN 0.372 nan 8.190 nan 0.000 0.459 629 H N 2.572 121.656 119.070 0.022 0.000 2.508 629 H HA 0.752 5.347 4.556 0.065 0.000 0.358 629 H C 0.129 175.478 175.328 0.035 0.000 1.212 629 H CA -0.183 55.881 56.048 0.026 0.000 1.356 629 H CB 1.788 31.567 29.762 0.029 0.000 1.525 629 H HN 0.749 nan 8.280 nan 0.000 0.578 630 A N 1.374 124.298 122.820 0.173 0.000 2.386 630 A HA 0.507 4.866 4.320 0.065 0.000 0.311 630 A C -0.599 177.043 177.584 0.097 0.000 1.068 630 A CA -0.937 51.166 52.037 0.110 0.000 0.743 630 A CB 1.272 20.318 19.000 0.076 0.000 1.258 630 A HN 0.736 nan 8.150 nan 0.000 0.429 631 K N 2.414 122.865 120.400 0.086 0.000 2.323 631 K HA 0.690 5.049 4.320 0.065 0.000 0.259 631 K C -1.525 175.105 176.600 0.050 0.000 0.947 631 K CA -0.502 55.827 56.287 0.069 0.000 0.819 631 K CB 1.368 33.919 32.500 0.085 0.000 1.109 631 K HN 0.516 nan 8.250 nan 0.000 0.429 632 L N 5.108 126.350 121.223 0.033 0.000 2.260 632 L HA 0.369 4.748 4.340 0.065 0.000 0.289 632 L C -0.414 176.461 176.870 0.009 0.000 1.057 632 L CA -0.760 54.091 54.840 0.019 0.000 0.811 632 L CB 0.274 42.336 42.059 0.004 0.000 1.184 632 L HN 0.511 nan 8.230 nan 0.000 0.429 633 L N 3.575 124.808 121.223 0.016 0.000 2.330 633 L HA 0.609 4.988 4.340 0.065 0.000 0.271 633 L C -0.789 176.021 176.870 -0.101 0.000 1.013 633 L CA -0.737 54.076 54.840 -0.045 0.000 0.816 633 L CB 1.933 43.994 42.059 0.004 0.000 1.287 633 L HN 0.423 nan 8.230 nan 0.000 0.435 634 Y N -0.581 119.299 120.300 -0.700 0.000 2.900 634 Y HA 0.165 4.754 4.550 0.065 0.000 0.318 634 Y C 0.714 175.808 175.900 -1.344 0.000 1.457 634 Y CA -0.756 56.810 58.100 -0.891 0.000 1.082 634 Y CB 1.467 39.736 38.460 -0.317 0.000 1.419 634 Y HN 0.535 nan 8.280 nan 0.000 0.459 635 S N 0.658 115.482 115.700 -1.460 0.000 2.593 635 S HA 0.278 4.787 4.470 0.065 0.000 0.217 635 S C -0.006 174.309 174.600 -0.474 0.000 0.966 635 S CA 0.285 57.980 58.200 -0.842 0.000 0.914 635 S CB -0.215 62.635 63.200 -0.583 0.000 0.776 635 S HN 0.603 nan 8.310 nan 0.000 0.523 636 R N -1.159 119.133 120.500 -0.347 0.000 2.766 636 R HA 0.631 5.010 4.340 0.065 0.000 0.270 636 R C -0.871 175.417 176.300 -0.020 0.000 1.035 636 R CA -1.121 54.909 56.100 -0.115 0.000 0.911 636 R CB 0.499 30.776 30.300 -0.038 0.000 1.243 636 R HN -0.070 nan 8.270 nan 0.000 0.460 637 M N 0.094 119.688 119.600 -0.008 0.000 2.219 637 M HA 0.558 5.076 4.480 0.065 0.000 0.280 637 M C 0.955 177.272 176.300 0.027 0.000 1.189 637 M CA 0.740 56.044 55.300 0.006 0.000 1.010 637 M CB 0.567 33.162 32.600 -0.007 0.000 1.422 637 M HN 1.057 nan 8.290 nan 0.000 0.504 638 G N 0.886 109.693 108.800 0.012 0.000 2.715 638 G HA2 -0.116 3.883 3.960 0.065 0.000 0.221 638 G HA3 -0.116 3.883 3.960 0.065 0.000 0.221 638 G C -0.954 173.941 174.900 -0.008 0.000 1.204 638 G CA -0.527 44.577 45.100 0.007 0.000 1.063 638 G HN 0.633 nan 8.290 nan 0.000 0.586 639 E N -0.866 119.323 120.200 -0.018 0.000 2.369 639 E HA 0.626 5.015 4.350 0.065 0.000 0.270 639 E C -0.418 176.123 176.600 -0.099 0.000 0.909 639 E CA -0.572 55.797 56.400 -0.053 0.000 0.775 639 E CB 2.955 32.631 29.700 -0.041 0.000 1.270 639 E HN 1.232 nan 8.360 nan 0.000 0.445 640 V N -1.829 117.990 119.914 -0.159 0.000 3.001 640 V HA 0.714 4.873 4.120 0.065 0.000 0.314 640 V C -0.488 175.523 176.094 -0.138 0.000 1.099 640 V CA -0.690 61.483 62.300 -0.212 0.000 0.989 640 V CB 1.948 33.510 31.823 -0.436 0.000 1.040 640 V HN 0.628 nan 8.190 nan 0.000 0.434 641 T N 2.549 117.036 114.554 -0.111 0.000 2.797 641 T HA 0.782 5.171 4.350 0.065 0.000 0.279 641 T C 0.323 174.980 174.700 -0.071 0.000 0.991 641 T CA 0.273 62.328 62.100 -0.074 0.000 0.979 641 T CB 1.376 70.214 68.868 -0.050 0.000 0.943 641 T HN 1.352 nan 8.240 nan 0.000 0.444 642 A N 2.246 125.031 122.820 -0.059 0.000 2.280 642 A HA 0.360 4.719 4.320 0.065 0.000 0.268 642 A C 1.578 179.139 177.584 -0.037 0.000 1.111 642 A CA -0.351 51.657 52.037 -0.050 0.000 0.814 642 A CB 0.042 19.016 19.000 -0.042 0.000 1.093 642 A HN 0.910 nan 8.150 nan 0.000 0.498 643 D N -0.230 120.152 120.400 -0.031 0.000 2.265 643 D HA -0.193 4.486 4.640 0.065 0.000 0.208 643 D C 0.522 176.809 176.300 -0.022 0.000 0.977 643 D CA 1.606 55.591 54.000 -0.025 0.000 0.871 643 D CB -0.209 40.577 40.800 -0.022 0.000 0.925 643 D HN 0.589 nan 8.370 nan 0.000 0.485 644 D N -1.799 118.587 120.400 -0.023 0.000 2.402 644 D HA 0.219 4.897 4.640 0.065 0.000 0.216 644 D C 1.589 177.877 176.300 -0.019 0.000 1.128 644 D CA 0.296 54.285 54.000 -0.020 0.000 0.833 644 D CB 0.005 40.794 40.800 -0.019 0.000 0.971 644 D HN 0.331 nan 8.370 nan 0.000 0.503 645 G N 0.068 108.855 108.800 -0.022 0.000 2.195 645 G HA2 -0.271 3.728 3.960 0.065 0.000 0.246 645 G HA3 -0.271 3.728 3.960 0.065 0.000 0.246 645 G C 0.458 175.344 174.900 -0.024 0.000 0.984 645 G CA 0.228 45.315 45.100 -0.022 0.000 0.633 645 G HN 0.421 nan 8.290 nan 0.000 0.525 646 T N 1.621 116.160 114.554 -0.025 0.000 2.867 646 T HA 0.387 4.776 4.350 0.065 0.000 0.297 646 T C 0.722 175.402 174.700 -0.033 0.000 0.989 646 T CA 0.231 62.316 62.100 -0.025 0.000 1.159 646 T CB 1.773 70.626 68.868 -0.025 0.000 0.928 646 T HN 0.456 nan 8.240 nan 0.000 0.538 647 V N 6.266 126.162 119.914 -0.030 0.000 2.432 647 V HA 0.256 4.415 4.120 0.065 0.000 0.271 647 V C 0.308 176.379 176.094 -0.039 0.000 1.046 647 V CA -0.420 61.859 62.300 -0.036 0.000 0.945 647 V CB 0.540 32.347 31.823 -0.028 0.000 0.992 647 V HN 0.674 nan 8.190 nan 0.000 0.471 648 L N 8.372 129.562 121.223 -0.055 0.000 2.276 648 L HA 0.457 4.836 4.340 0.065 0.000 0.286 648 L C -2.352 174.485 176.870 -0.055 0.000 1.024 648 L CA -1.774 53.033 54.840 -0.055 0.000 0.826 648 L CB 1.744 43.758 42.059 -0.075 0.000 1.211 648 L HN 0.435 nan 8.230 nan 0.000 0.422 649 P HA 0.265 nan 4.420 nan 0.000 0.275 649 P C -0.554 176.729 177.300 -0.028 0.000 1.228 649 P CA -0.153 62.931 63.100 -0.028 0.000 0.786 649 P CB 1.013 32.705 31.700 -0.014 0.000 0.927 650 I N 1.520 122.075 120.570 -0.024 0.000 2.336 650 I HA 0.258 4.467 4.170 0.065 0.000 0.292 650 I C 1.452 177.563 176.117 -0.010 0.000 0.991 650 I CA -0.461 60.827 61.300 -0.019 0.000 1.227 650 I CB 1.542 39.537 38.000 -0.008 0.000 1.366 650 I HN 0.361 nan 8.210 nan 0.000 0.466 651 A N 5.320 128.137 122.820 -0.004 0.000 1.929 651 A HA 0.462 4.821 4.320 0.065 0.000 0.216 651 A C 1.003 178.589 177.584 0.004 0.000 1.176 651 A CA 1.419 53.459 52.037 0.006 0.000 0.628 651 A CB -0.025 18.988 19.000 0.021 0.000 0.816 651 A HN 0.839 nan 8.150 nan 0.000 0.444 652 A N -2.328 120.486 122.820 -0.010 0.000 2.567 652 A HA 0.549 4.908 4.320 0.065 0.000 0.291 652 A C -0.048 177.490 177.584 -0.077 0.000 1.048 652 A CA 0.038 52.066 52.037 -0.016 0.000 0.661 652 A CB -0.339 18.678 19.000 0.028 0.000 1.288 652 A HN 0.833 nan 8.150 nan 0.000 0.424 653 T N -1.275 113.226 114.554 -0.089 0.000 2.849 653 T HA 0.522 4.911 4.350 0.065 0.000 0.284 653 T C 1.019 175.667 174.700 -0.087 0.000 1.004 653 T CA 0.202 62.179 62.100 -0.203 0.000 1.021 653 T CB -0.035 68.750 68.868 -0.139 0.000 1.013 653 T HN 0.527 nan 8.240 nan 0.000 0.527 654 F N 0.665 120.641 119.950 0.042 0.000 2.147 654 F HA -0.089 4.477 4.527 0.065 0.000 0.301 654 F C 2.906 178.842 175.800 0.227 0.000 1.084 654 F CA 1.105 59.184 58.000 0.131 0.000 1.268 654 F CB -0.697 38.356 39.000 0.088 0.000 1.009 654 F HN 0.717 nan 8.300 nan 0.000 0.486 655 A N 0.289 123.273 122.820 0.273 0.000 1.930 655 A HA 0.072 4.431 4.320 0.065 0.000 0.215 655 A C 2.448 180.103 177.584 0.118 0.000 1.176 655 A CA 1.303 53.444 52.037 0.173 0.000 0.632 655 A CB -1.405 17.655 19.000 0.099 0.000 0.819 655 A HN 0.376 nan 8.150 nan 0.000 0.445 656 G N -0.819 108.035 108.800 0.091 0.000 2.443 656 G HA2 0.264 4.263 3.960 0.065 0.000 0.219 656 G HA3 0.264 4.263 3.960 0.065 0.000 0.219 656 G C 0.626 175.577 174.900 0.086 0.000 1.131 656 G CA 1.026 46.163 45.100 0.062 0.000 0.775 656 G HN 1.104 nan 8.290 nan 0.000 0.547 657 A N 0.754 123.663 122.820 0.148 0.000 2.943 657 A HA 0.700 5.058 4.320 0.065 0.000 0.327 657 A C -2.679 175.055 177.584 0.252 0.000 1.141 657 A CA -1.154 50.982 52.037 0.165 0.000 0.773 657 A CB 1.449 20.547 19.000 0.164 0.000 1.143 657 A HN 0.087 nan 8.150 nan 0.000 0.463 658 P HA 0.096 nan 4.420 nan 0.000 0.273 658 P C 1.337 178.458 177.300 -0.299 0.000 1.250 658 P CA 0.133 63.166 63.100 -0.112 0.000 0.793 658 P CB 0.729 32.356 31.700 -0.122 0.000 1.011 659 S N 0.015 115.189 115.700 -0.876 0.000 2.469 659 S HA -0.115 4.394 4.470 0.065 0.000 0.238 659 S C 1.773 176.221 174.600 -0.254 0.000 0.998 659 S CA 0.865 58.690 58.200 -0.625 0.000 0.957 659 S CB -1.326 61.391 63.200 -0.805 0.000 0.764 659 S HN 0.321 nan 8.310 nan 0.000 0.514 660 L N 1.813 122.892 121.223 -0.240 0.000 2.187 660 L HA -0.085 4.294 4.340 0.065 0.000 0.213 660 L C 2.852 179.529 176.870 -0.321 0.000 1.100 660 L CA 1.625 56.319 54.840 -0.243 0.000 0.765 660 L CB -1.335 40.558 42.059 -0.277 0.000 0.904 660 L HN 0.633 nan 8.230 nan 0.000 0.437 661 T N -3.311 111.119 114.554 -0.207 0.000 3.107 661 T HA 0.246 4.635 4.350 0.065 0.000 0.249 661 T C 0.347 175.114 174.700 0.112 0.000 1.096 661 T CA 0.093 62.128 62.100 -0.109 0.000 1.012 661 T CB -0.318 68.598 68.868 0.081 0.000 0.977 661 T HN 0.148 nan 8.240 nan 0.000 0.527 662 V N -2.836 117.116 119.914 0.063 0.000 3.155 662 V HA 0.596 4.755 4.120 0.065 0.000 0.313 662 V C -0.200 175.936 176.094 0.070 0.000 1.162 662 V CA -0.951 61.420 62.300 0.119 0.000 1.048 662 V CB 2.049 33.963 31.823 0.151 0.000 1.092 662 V HN -0.027 nan 8.190 nan 0.000 0.447 663 D N 0.662 121.107 120.400 0.075 0.000 2.392 663 D HA 0.535 5.214 4.640 0.065 0.000 0.206 663 D C 0.505 176.790 176.300 -0.025 0.000 1.046 663 D CA 1.444 55.464 54.000 0.033 0.000 0.865 663 D CB 1.551 42.395 40.800 0.072 0.000 0.969 663 D HN 1.018 nan 8.370 nan 0.000 0.509 664 A N 0.084 122.906 122.820 0.002 0.000 2.597 664 A HA 0.509 4.868 4.320 0.065 0.000 0.292 664 A C -1.593 176.008 177.584 0.028 0.000 1.057 664 A CA -0.566 51.460 52.037 -0.018 0.000 0.674 664 A CB 1.291 20.266 19.000 -0.043 0.000 1.278 664 A HN -0.117 nan 8.150 nan 0.000 0.416 665 V N 1.317 121.240 119.914 0.015 0.000 2.656 665 V HA 0.624 4.783 4.120 0.065 0.000 0.307 665 V C -0.557 175.538 176.094 0.003 0.000 1.051 665 V CA -0.283 62.037 62.300 0.034 0.000 0.893 665 V CB 1.588 33.448 31.823 0.061 0.000 0.999 665 V HN 0.712 nan 8.190 nan 0.000 0.426 666 I N 3.858 124.435 120.570 0.013 0.000 2.509 666 I HA 0.581 4.790 4.170 0.065 0.000 0.293 666 I C -0.958 175.179 176.117 0.033 0.000 1.020 666 I CA -0.946 60.387 61.300 0.054 0.000 1.088 666 I CB 2.382 40.443 38.000 0.101 0.000 1.267 666 I HN 0.283 nan 8.210 nan 0.000 0.430 667 V N 7.212 127.165 119.914 0.065 0.000 2.380 667 V HA 0.333 4.492 4.120 0.065 0.000 0.286 667 V C -2.174 173.974 176.094 0.089 0.000 1.015 667 V CA -1.546 60.778 62.300 0.039 0.000 0.834 667 V CB 1.369 33.182 31.823 -0.017 0.000 1.009 667 V HN 0.557 nan 8.190 nan 0.000 0.428 668 P HA 0.348 nan 4.420 nan 0.000 0.274 668 P C -0.097 177.218 177.300 0.025 0.000 1.246 668 P CA -0.046 63.065 63.100 0.019 0.000 0.795 668 P CB 1.270 32.974 31.700 0.006 0.000 1.006 669 A N 0.819 123.630 122.820 -0.015 0.000 2.262 669 A HA 0.668 5.027 4.320 0.065 0.000 0.273 669 A C 0.863 178.450 177.584 0.005 0.000 1.202 669 A CA 0.665 52.701 52.037 -0.003 0.000 0.811 669 A CB -0.849 18.130 19.000 -0.034 0.000 1.159 669 A HN 0.864 nan 8.150 nan 0.000 0.505 670 G N -0.618 108.185 108.800 0.005 0.000 2.217 670 G HA2 -0.015 3.984 3.960 0.065 0.000 0.173 670 G HA3 -0.015 3.984 3.960 0.065 0.000 0.173 670 G C -0.340 174.568 174.900 0.015 0.000 1.324 670 G CA 0.056 45.159 45.100 0.005 0.000 1.225 670 G HN 1.136 nan 8.290 nan 0.000 0.494 671 N N 2.060 120.775 118.700 0.024 0.000 3.103 671 N HA 0.205 4.984 4.740 0.065 0.000 0.305 671 N C 1.853 177.396 175.510 0.055 0.000 1.232 671 N CA -0.285 52.785 53.050 0.033 0.000 1.190 671 N CB -0.388 38.120 38.487 0.036 0.000 1.461 671 N HN 0.408 nan 8.380 nan 0.000 0.538 672 I N 0.668 121.260 120.570 0.038 0.000 2.264 672 I HA -0.267 3.942 4.170 0.065 0.000 0.248 672 I C 2.055 178.178 176.117 0.010 0.000 1.111 672 I CA 0.858 62.181 61.300 0.037 0.000 1.382 672 I CB -1.479 36.514 38.000 -0.012 0.000 1.060 672 I HN 0.440 nan 8.210 nan 0.000 0.418 673 A N 0.578 123.394 122.820 -0.006 0.000 2.032 673 A HA -0.297 4.062 4.320 0.065 0.000 0.221 673 A C 2.072 179.672 177.584 0.028 0.000 1.165 673 A CA 2.174 54.205 52.037 -0.011 0.000 0.645 673 A CB -0.772 18.222 19.000 -0.010 0.000 0.807 673 A HN 0.459 nan 8.150 nan 0.000 0.453 674 D N 0.323 120.766 120.400 0.072 0.000 2.123 674 D HA -0.151 4.528 4.640 0.065 0.000 0.196 674 D C 1.577 177.959 176.300 0.137 0.000 0.992 674 D CA 1.786 55.857 54.000 0.118 0.000 0.833 674 D CB -0.213 40.695 40.800 0.180 0.000 0.954 674 D HN 0.652 nan 8.370 nan 0.000 0.455 675 I N -3.742 116.925 120.570 0.162 0.000 4.082 675 I HA 0.476 4.685 4.170 0.065 0.000 0.337 675 I C 1.871 178.090 176.117 0.170 0.000 1.352 675 I CA -0.046 61.367 61.300 0.189 0.000 1.097 675 I CB 0.173 38.333 38.000 0.267 0.000 1.048 675 I HN -0.087 nan 8.210 nan 0.000 0.393 676 A N 1.677 124.512 122.820 0.025 0.000 1.940 676 A HA -0.173 4.186 4.320 0.065 0.000 0.219 676 A C 1.564 179.106 177.584 -0.071 0.000 1.176 676 A CA 2.060 53.988 52.037 -0.181 0.000 0.631 676 A CB -0.461 18.391 19.000 -0.247 0.000 0.814 676 A HN 0.522 nan 8.150 nan 0.000 0.446 677 D N -0.679 119.718 120.400 -0.006 0.000 2.402 677 D HA 0.039 4.718 4.640 0.065 0.000 0.216 677 D C -0.063 176.261 176.300 0.040 0.000 1.128 677 D CA -0.178 53.827 54.000 0.009 0.000 0.833 677 D CB -0.191 40.606 40.800 -0.004 0.000 0.971 677 D HN 0.351 nan 8.370 nan 0.000 0.503 678 N N 1.044 119.783 118.700 0.066 0.000 2.430 678 N HA 0.046 4.825 4.740 0.065 0.000 0.265 678 N C 1.363 176.908 175.510 0.058 0.000 1.100 678 N CA -0.011 53.077 53.050 0.063 0.000 0.961 678 N CB 1.561 40.096 38.487 0.079 0.000 1.075 678 N HN -0.005 nan 8.380 nan 0.000 0.478 679 G N 3.387 112.221 108.800 0.055 0.000 2.446 679 G HA2 -0.277 3.722 3.960 0.065 0.000 0.217 679 G HA3 -0.277 3.722 3.960 0.065 0.000 0.217 679 G C 0.938 175.889 174.900 0.085 0.000 1.168 679 G CA 0.647 45.783 45.100 0.060 0.000 0.771 679 G HN 0.617 nan 8.290 nan 0.000 0.551 680 D N 0.896 121.353 120.400 0.094 0.000 2.144 680 D HA -0.021 4.658 4.640 0.065 0.000 0.199 680 D C 2.759 179.070 176.300 0.020 0.000 0.984 680 D CA 1.246 55.334 54.000 0.146 0.000 0.834 680 D CB -0.407 40.550 40.800 0.261 0.000 0.955 680 D HN 0.337 nan 8.370 nan 0.000 0.465 681 A N 0.764 123.438 122.820 -0.243 0.000 1.897 681 A HA -0.130 4.229 4.320 0.065 0.000 0.215 681 A C 2.024 179.423 177.584 -0.310 0.000 1.181 681 A CA 0.969 52.619 52.037 -0.646 0.000 0.620 681 A CB -0.342 18.212 19.000 -0.744 0.000 0.821 681 A HN 0.122 nan 8.150 nan 0.000 0.443 682 N N -1.443 117.220 118.700 -0.060 0.000 2.142 682 N HA -0.168 4.611 4.740 0.065 0.000 0.186 682 N C 1.669 177.184 175.510 0.009 0.000 1.023 682 N CA 1.682 54.750 53.050 0.030 0.000 0.852 682 N CB -0.393 38.175 38.487 0.136 0.000 0.998 682 N HN 0.685 nan 8.380 nan 0.000 0.424 683 Y N 0.514 120.787 120.300 -0.045 0.000 2.242 683 Y HA -0.257 4.332 4.550 0.065 0.000 0.291 683 Y C 2.387 178.246 175.900 -0.068 0.000 1.137 683 Y CA 1.190 59.260 58.100 -0.050 0.000 1.181 683 Y CB -0.357 38.080 38.460 -0.039 0.000 0.989 683 Y HN 0.011 nan 8.280 nan 0.000 0.527 684 Y N 0.519 120.702 120.300 -0.196 0.000 2.114 684 Y HA -0.348 4.241 4.550 0.065 0.000 0.282 684 Y C 2.074 177.781 175.900 -0.322 0.000 1.165 684 Y CA 2.230 60.184 58.100 -0.243 0.000 1.148 684 Y CB -0.517 37.801 38.460 -0.236 0.000 0.972 684 Y HN 0.139 nan 8.280 nan 0.000 0.504 685 L N -1.162 119.997 121.223 -0.106 0.000 2.093 685 L HA -0.256 4.123 4.340 0.065 0.000 0.208 685 L C 2.430 179.179 176.870 -0.203 0.000 1.085 685 L CA 1.408 56.158 54.840 -0.151 0.000 0.755 685 L CB -0.511 41.418 42.059 -0.216 0.000 0.904 685 L HN 0.280 nan 8.230 nan 0.000 0.435 686 M N -0.660 118.757 119.600 -0.303 0.000 2.175 686 M HA -0.211 4.308 4.480 0.065 0.000 0.264 686 M C 2.258 178.291 176.300 -0.445 0.000 1.063 686 M CA 1.625 56.736 55.300 -0.316 0.000 1.119 686 M CB -0.330 32.084 32.600 -0.310 0.000 1.377 686 M HN 0.226 nan 8.290 nan 0.000 0.415 687 E N 0.602 120.347 120.200 -0.758 0.000 2.072 687 E HA -0.172 4.217 4.350 0.065 0.000 0.191 687 E C 1.995 178.235 176.600 -0.600 0.000 0.985 687 E CA 1.255 57.183 56.400 -0.787 0.000 0.801 687 E CB 0.041 29.238 29.700 -0.837 0.000 0.750 687 E HN 0.468 nan 8.360 nan 0.000 0.452 688 A N 0.295 122.885 122.820 -0.383 0.000 1.933 688 A HA -0.199 4.160 4.320 0.065 0.000 0.218 688 A C 2.027 179.513 177.584 -0.164 0.000 1.175 688 A CA 1.403 53.308 52.037 -0.220 0.000 0.628 688 A CB -0.884 18.044 19.000 -0.121 0.000 0.814 688 A HN 0.549 nan 8.150 nan 0.000 0.444 689 Y N 0.512 120.656 120.300 -0.261 0.000 2.145 689 Y HA -0.202 4.387 4.550 0.065 0.000 0.286 689 Y C 2.392 178.169 175.900 -0.206 0.000 1.145 689 Y CA 2.321 60.298 58.100 -0.206 0.000 1.148 689 Y CB -0.263 38.090 38.460 -0.179 0.000 0.981 689 Y HN 0.301 nan 8.280 nan 0.000 0.507 690 K N -0.674 119.611 120.400 -0.192 0.000 2.074 690 K HA -0.242 4.117 4.320 0.065 0.000 0.209 690 K C 1.242 177.726 176.600 -0.193 0.000 1.048 690 K CA 2.121 58.266 56.287 -0.236 0.000 0.926 690 K CB -0.427 31.868 32.500 -0.341 0.000 0.713 690 K HN 0.589 nan 8.250 nan 0.000 0.444 691 H N 0.012 118.958 119.070 -0.206 0.000 2.536 691 H HA 0.178 4.773 4.556 0.065 0.000 0.276 691 H C -0.083 175.080 175.328 -0.274 0.000 1.019 691 H CA 0.190 56.114 56.048 -0.207 0.000 1.159 691 H CB 0.174 29.813 29.762 -0.205 0.000 1.373 691 H HN 0.120 nan 8.280 nan 0.000 0.584 692 L N 0.092 121.164 121.223 -0.250 0.000 4.140 692 L HA -0.252 4.127 4.340 0.065 0.000 0.406 692 L C -0.475 176.135 176.870 -0.433 0.000 1.175 692 L CA 0.517 55.117 54.840 -0.401 0.000 0.939 692 L CB -1.750 40.053 42.059 -0.427 0.000 2.105 692 L HN 0.289 nan 8.230 nan 0.000 0.803 693 K N 0.616 120.829 120.400 -0.312 0.000 2.110 693 K HA 0.550 4.909 4.320 0.065 0.000 0.263 693 K C -2.211 174.253 176.600 -0.226 0.000 0.975 693 K CA -1.841 54.282 56.287 -0.275 0.000 0.895 693 K CB 0.818 33.209 32.500 -0.181 0.000 1.060 693 K HN -0.227 nan 8.250 nan 0.000 0.448 694 P HA 0.063 nan 4.420 nan 0.000 0.268 694 P C -0.773 176.463 177.300 -0.108 0.000 1.205 694 P CA 0.357 63.357 63.100 -0.167 0.000 0.771 694 P CB 0.456 32.057 31.700 -0.164 0.000 0.858 695 I N 1.489 122.008 120.570 -0.086 0.000 2.608 695 I HA 0.659 4.868 4.170 0.065 0.000 0.295 695 I C -0.395 175.671 176.117 -0.086 0.000 1.049 695 I CA -0.883 60.383 61.300 -0.056 0.000 1.063 695 I CB 2.304 40.297 38.000 -0.012 0.000 1.248 695 I HN 0.255 nan 8.210 nan 0.000 0.424 696 A N 6.996 129.775 122.820 -0.070 0.000 2.356 696 A HA 0.909 5.268 4.320 0.065 0.000 0.310 696 A C -1.251 176.419 177.584 0.143 0.000 1.075 696 A CA -0.431 51.543 52.037 -0.104 0.000 0.746 696 A CB 1.117 19.916 19.000 -0.336 0.000 1.221 696 A HN 0.637 nan 8.150 nan 0.000 0.443 697 L N 1.928 123.299 121.223 0.245 0.000 2.376 697 L HA 0.746 5.125 4.340 0.065 0.000 0.275 697 L C 0.159 177.240 176.870 0.351 0.000 0.987 697 L CA -0.555 54.445 54.840 0.265 0.000 0.828 697 L CB 2.067 44.228 42.059 0.170 0.000 1.249 697 L HN 0.788 nan 8.230 nan 0.000 0.409 698 A N 2.225 125.157 122.820 0.185 0.000 2.330 698 A HA 0.873 5.232 4.320 0.065 0.000 0.327 698 A C 0.597 178.172 177.584 -0.016 0.000 1.155 698 A CA 0.220 52.233 52.037 -0.040 0.000 0.803 698 A CB 1.205 20.017 19.000 -0.314 0.000 1.208 698 A HN 1.001 nan 8.150 nan 0.000 0.477 699 G N 1.946 110.726 108.800 -0.033 0.000 2.596 699 G HA2 -0.329 3.670 3.960 0.065 0.000 0.295 699 G HA3 -0.329 3.670 3.960 0.065 0.000 0.295 699 G C 0.510 175.413 174.900 0.005 0.000 1.240 699 G CA 0.849 45.936 45.100 -0.021 0.000 0.985 699 G HN 0.709 nan 8.290 nan 0.000 0.555 700 D N 1.216 121.614 120.400 -0.002 0.000 2.350 700 D HA 0.217 4.896 4.640 0.065 0.000 0.216 700 D C 2.588 178.890 176.300 0.004 0.000 0.968 700 D CA 1.542 55.536 54.000 -0.010 0.000 0.894 700 D CB -0.638 40.148 40.800 -0.024 0.000 0.909 700 D HN 0.803 nan 8.370 nan 0.000 0.520 701 A N 0.373 123.233 122.820 0.067 0.000 2.125 701 A HA -0.168 4.190 4.320 0.065 0.000 0.219 701 A C 2.055 179.753 177.584 0.190 0.000 1.156 701 A CA 0.785 52.935 52.037 0.188 0.000 0.671 701 A CB -0.370 18.758 19.000 0.213 0.000 0.794 701 A HN 0.136 nan 8.150 nan 0.000 0.459 702 R N -0.314 120.244 120.500 0.096 0.000 2.241 702 R HA -0.077 4.302 4.340 0.065 0.000 0.224 702 R C 1.563 177.877 176.300 0.022 0.000 1.101 702 R CA 0.889 57.033 56.100 0.074 0.000 0.995 702 R CB -0.075 30.256 30.300 0.052 0.000 0.870 702 R HN 0.321 nan 8.270 nan 0.000 0.463 703 K N 0.011 120.383 120.400 -0.046 0.000 2.218 703 K HA -0.157 4.201 4.320 0.065 0.000 0.205 703 K C 1.585 178.080 176.600 -0.175 0.000 1.046 703 K CA 1.362 57.562 56.287 -0.146 0.000 0.933 703 K CB -0.238 32.105 32.500 -0.261 0.000 0.728 703 K HN 0.259 nan 8.250 nan 0.000 0.454 704 F N 1.469 121.394 119.950 -0.042 0.000 2.451 704 F HA -0.074 4.492 4.527 0.065 0.000 0.299 704 F C 2.133 177.882 175.800 -0.084 0.000 1.101 704 F CA 0.710 58.672 58.000 -0.063 0.000 1.436 704 F CB -0.074 38.888 39.000 -0.064 0.000 1.074 704 F HN -0.016 nan 8.300 nan 0.000 0.553 705 K N 0.309 120.758 120.400 0.080 0.000 2.173 705 K HA -0.257 4.102 4.320 0.065 0.000 0.207 705 K C 2.268 178.840 176.600 -0.046 0.000 1.046 705 K CA 1.280 57.565 56.287 -0.004 0.000 0.929 705 K CB -0.382 32.114 32.500 -0.008 0.000 0.720 705 K HN 0.294 nan 8.250 nan 0.000 0.453 706 A N 0.616 123.414 122.820 -0.037 0.000 1.969 706 A HA -0.119 4.240 4.320 0.065 0.000 0.218 706 A C 2.081 179.633 177.584 -0.054 0.000 1.169 706 A CA 1.815 53.822 52.037 -0.051 0.000 0.635 706 A CB -0.672 18.295 19.000 -0.054 0.000 0.810 706 A HN 0.298 nan 8.150 nan 0.000 0.445 707 T N 0.648 115.188 114.554 -0.024 0.000 2.915 707 T HA -0.072 4.317 4.350 0.065 0.000 0.269 707 T C 1.428 176.060 174.700 -0.114 0.000 1.071 707 T CA 1.534 63.619 62.100 -0.024 0.000 1.132 707 T CB -0.482 68.421 68.868 0.059 0.000 0.878 707 T HN 0.745 nan 8.240 nan 0.000 0.479 708 I N -2.016 118.430 120.570 -0.206 0.000 3.974 708 I HA 0.472 4.681 4.170 0.065 0.000 0.334 708 I C -0.195 175.659 176.117 -0.437 0.000 1.437 708 I CA -0.745 60.286 61.300 -0.449 0.000 1.113 708 I CB -0.237 37.307 38.000 -0.759 0.000 1.063 708 I HN -0.100 nan 8.210 nan 0.000 0.400 709 K N 1.804 122.071 120.400 -0.222 0.000 3.150 709 K HA -0.112 4.247 4.320 0.065 0.000 0.267 709 K C -0.535 175.991 176.600 -0.123 0.000 1.028 709 K CA 0.365 56.567 56.287 -0.141 0.000 0.753 709 K CB -1.342 31.096 32.500 -0.103 0.000 1.288 709 K HN 0.346 nan 8.250 nan 0.000 0.473 710 I N 0.847 121.344 120.570 -0.122 0.000 2.365 710 I HA 0.292 4.501 4.170 0.065 0.000 0.291 710 I C 1.354 177.451 176.117 -0.033 0.000 1.004 710 I CA -0.865 60.398 61.300 -0.062 0.000 1.311 710 I CB 0.526 38.494 38.000 -0.054 0.000 1.401 710 I HN 0.291 nan 8.210 nan 0.000 0.491 711 A N 4.760 127.572 122.820 -0.014 0.000 2.406 711 A HA 0.111 4.470 4.320 0.065 0.000 0.243 711 A C 1.120 178.700 177.584 -0.006 0.000 1.082 711 A CA -0.194 51.838 52.037 -0.009 0.000 0.786 711 A CB 0.065 19.064 19.000 -0.001 0.000 1.029 711 A HN 0.764 nan 8.150 nan 0.000 0.495 712 D N 0.083 120.480 120.400 -0.006 0.000 2.149 712 D HA -0.182 4.497 4.640 0.065 0.000 0.194 712 D C 1.649 177.951 176.300 0.003 0.000 1.001 712 D CA 1.972 55.971 54.000 -0.002 0.000 0.849 712 D CB -0.092 40.706 40.800 -0.003 0.000 0.939 712 D HN 0.604 nan 8.370 nan 0.000 0.449 713 Q N -0.191 119.611 119.800 0.003 0.000 2.368 713 Q HA 0.123 4.502 4.340 0.065 0.000 0.210 713 Q C 0.858 176.862 176.000 0.006 0.000 0.982 713 Q CA 0.938 56.744 55.803 0.005 0.000 0.884 713 Q CB -0.305 28.436 28.738 0.005 0.000 0.933 713 Q HN 0.370 nan 8.270 nan 0.000 0.460 714 G N -0.039 108.764 108.800 0.006 0.000 2.710 714 G HA2 -0.195 3.804 3.960 0.065 0.000 0.668 714 G HA3 -0.195 3.804 3.960 0.065 0.000 0.668 714 G C -1.051 173.854 174.900 0.009 0.000 1.320 714 G CA -0.221 44.883 45.100 0.007 0.000 0.860 714 G HN 0.260 nan 8.290 nan 0.000 0.538 715 E N -0.531 119.674 120.200 0.009 0.000 2.352 715 E HA 0.458 4.847 4.350 0.065 0.000 0.280 715 E C -0.422 176.176 176.600 -0.005 0.000 0.930 715 E CA -0.619 55.790 56.400 0.014 0.000 0.765 715 E CB 1.263 30.989 29.700 0.045 0.000 1.219 715 E HN 0.594 nan 8.360 nan 0.000 0.434 716 E N 1.528 121.717 120.200 -0.018 0.000 2.493 716 E HA 0.243 4.632 4.350 0.065 0.000 0.255 716 E C 0.593 177.152 176.600 -0.068 0.000 0.999 716 E CA 1.459 57.832 56.400 -0.045 0.000 0.934 716 E CB 0.592 30.264 29.700 -0.046 0.000 0.940 716 E HN 0.829 nan 8.360 nan 0.000 0.473 717 G N 3.464 112.210 108.800 -0.090 0.000 2.218 717 G HA2 -0.187 3.812 3.960 0.065 0.000 0.216 717 G HA3 -0.187 3.812 3.960 0.065 0.000 0.216 717 G C 0.030 174.878 174.900 -0.086 0.000 0.994 717 G CA -0.579 44.448 45.100 -0.122 0.000 0.637 717 G HN 0.434 nan 8.290 nan 0.000 0.505 718 I N 2.260 122.802 120.570 -0.047 0.000 2.382 718 I HA 0.488 4.697 4.170 0.065 0.000 0.285 718 I C 0.436 176.507 176.117 -0.078 0.000 1.007 718 I CA -1.152 60.126 61.300 -0.036 0.000 1.142 718 I CB 1.194 39.205 38.000 0.018 0.000 1.289 718 I HN -0.104 nan 8.210 nan 0.000 0.453 719 V N 7.381 127.203 119.914 -0.153 0.000 2.509 719 V HA 0.414 4.573 4.120 0.065 0.000 0.284 719 V C 0.236 176.243 176.094 -0.146 0.000 1.047 719 V CA -0.404 61.750 62.300 -0.244 0.000 0.952 719 V CB 1.392 32.899 31.823 -0.526 0.000 0.988 719 V HN 0.874 nan 8.190 nan 0.000 0.469 720 E N 3.977 124.178 120.200 0.002 0.000 2.372 720 E HA 0.877 5.265 4.350 0.065 0.000 0.279 720 E C -1.004 175.755 176.600 0.266 0.000 0.946 720 E CA -0.953 55.562 56.400 0.191 0.000 0.769 720 E CB 2.535 32.298 29.700 0.105 0.000 1.230 720 E HN 0.839 nan 8.360 nan 0.000 0.442 721 A N 1.713 124.713 122.820 0.300 0.000 2.540 721 A HA 0.360 4.719 4.320 0.065 0.000 0.291 721 A C -0.675 176.939 177.584 0.049 0.000 1.083 721 A CA -0.554 51.585 52.037 0.171 0.000 0.650 721 A CB 1.012 20.154 19.000 0.237 0.000 1.292 721 A HN 0.581 nan 8.150 nan 0.000 0.435 722 D N 0.477 120.880 120.400 0.004 0.000 2.178 722 D HA 0.066 4.745 4.640 0.065 0.000 0.202 722 D C 1.076 177.321 176.300 -0.092 0.000 0.974 722 D CA 2.299 56.279 54.000 -0.032 0.000 0.841 722 D CB 0.066 40.851 40.800 -0.024 0.000 0.953 722 D HN 0.792 nan 8.370 nan 0.000 0.478 723 S N -1.414 114.195 115.700 -0.152 0.000 2.618 723 S HA 0.726 5.234 4.470 0.065 0.000 0.277 723 S C -0.796 173.488 174.600 -0.527 0.000 1.138 723 S CA -0.966 57.076 58.200 -0.262 0.000 0.844 723 S CB 2.223 65.325 63.200 -0.163 0.000 1.127 723 S HN 0.051 nan 8.310 nan 0.000 0.474 724 A N 1.552 123.968 122.820 -0.674 0.000 2.404 724 A HA 0.652 5.011 4.320 0.065 0.000 0.273 724 A C -0.098 177.303 177.584 -0.304 0.000 1.144 724 A CA -0.022 51.487 52.037 -0.879 0.000 0.806 724 A CB -0.792 17.855 19.000 -0.589 0.000 1.080 724 A HN 0.996 nan 8.150 nan 0.000 0.509 725 D N 0.933 121.273 120.400 -0.101 0.000 3.009 725 D HA 0.483 5.161 4.640 0.065 0.000 0.318 725 D C 1.104 177.460 176.300 0.094 0.000 1.273 725 D CA 0.112 54.114 54.000 0.004 0.000 1.001 725 D CB -0.054 40.745 40.800 -0.003 0.000 1.411 725 D HN 0.319 nan 8.370 nan 0.000 0.577 726 G N -0.276 108.562 108.800 0.063 0.000 2.480 726 G HA2 -0.294 3.705 3.960 0.065 0.000 0.216 726 G HA3 -0.294 3.705 3.960 0.065 0.000 0.216 726 G C 1.482 176.432 174.900 0.084 0.000 1.200 726 G CA 1.848 46.985 45.100 0.062 0.000 0.782 726 G HN 0.487 nan 8.290 nan 0.000 0.554 727 S N -0.236 115.516 115.700 0.088 0.000 2.359 727 S HA -0.149 4.360 4.470 0.065 0.000 0.224 727 S C 2.123 176.797 174.600 0.123 0.000 1.035 727 S CA 1.660 59.912 58.200 0.086 0.000 1.018 727 S CB -0.472 62.774 63.200 0.076 0.000 0.876 727 S HN 0.367 nan 8.310 nan 0.000 0.448 728 F N 1.919 121.867 119.950 -0.004 0.000 2.069 728 F HA -0.100 4.466 4.527 0.065 0.000 0.298 728 F C 2.187 177.983 175.800 -0.007 0.000 1.113 728 F CA 1.915 59.912 58.000 -0.005 0.000 1.214 728 F CB -0.314 38.684 39.000 -0.003 0.000 0.978 728 F HN 0.209 nan 8.300 nan 0.000 0.474 729 M N 0.045 119.808 119.600 0.271 0.000 2.229 729 M HA -0.159 4.360 4.480 0.065 0.000 0.264 729 M C 1.718 178.026 176.300 0.014 0.000 1.063 729 M CA 1.262 56.635 55.300 0.123 0.000 1.114 729 M CB -1.336 31.354 32.600 0.150 0.000 1.387 729 M HN 0.136 nan 8.290 nan 0.000 0.420 730 D N 0.508 120.921 120.400 0.022 0.000 2.117 730 D HA -0.124 4.555 4.640 0.065 0.000 0.198 730 D C 1.992 178.270 176.300 -0.037 0.000 0.982 730 D CA 1.112 55.110 54.000 -0.002 0.000 0.828 730 D CB -0.042 40.764 40.800 0.010 0.000 0.967 730 D HN 0.460 nan 8.370 nan 0.000 0.464 731 E N 0.283 120.444 120.200 -0.064 0.000 2.072 731 E HA -0.104 4.285 4.350 0.065 0.000 0.191 731 E C 2.151 178.670 176.600 -0.134 0.000 0.985 731 E CA 0.157 56.498 56.400 -0.099 0.000 0.801 731 E CB -0.027 29.595 29.700 -0.129 0.000 0.750 731 E HN 0.172 nan 8.360 nan 0.000 0.452 732 L N 1.038 122.149 121.223 -0.187 0.000 2.017 732 L HA -0.192 4.187 4.340 0.065 0.000 0.208 732 L C 2.205 179.008 176.870 -0.112 0.000 1.073 732 L CA 1.540 56.265 54.840 -0.191 0.000 0.745 732 L CB -0.340 41.577 42.059 -0.236 0.000 0.894 732 L HN 0.241 nan 8.230 nan 0.000 0.432 733 L N -0.619 120.560 121.223 -0.075 0.000 2.141 733 L HA -0.204 4.175 4.340 0.065 0.000 0.209 733 L C 2.477 179.322 176.870 -0.042 0.000 1.094 733 L CA 1.503 56.315 54.840 -0.046 0.000 0.763 733 L CB -0.697 41.347 42.059 -0.026 0.000 0.908 733 L HN 0.273 nan 8.230 nan 0.000 0.437 734 T N 0.203 114.729 114.554 -0.047 0.000 2.708 734 T HA -0.147 4.242 4.350 0.065 0.000 0.266 734 T C 1.962 176.630 174.700 -0.054 0.000 1.037 734 T CA 1.183 63.260 62.100 -0.038 0.000 1.146 734 T CB -0.273 68.574 68.868 -0.035 0.000 0.865 734 T HN 0.183 nan 8.240 nan 0.000 0.435 735 L N 0.406 121.578 121.223 -0.085 0.000 2.043 735 L HA -0.155 4.224 4.340 0.065 0.000 0.212 735 L C 2.728 179.531 176.870 -0.113 0.000 1.075 735 L CA 1.494 56.263 54.840 -0.119 0.000 0.752 735 L CB -0.645 41.324 42.059 -0.151 0.000 0.891 735 L HN 0.317 nan 8.230 nan 0.000 0.432 736 M N -0.802 118.748 119.600 -0.083 0.000 2.229 736 M HA -0.138 4.380 4.480 0.065 0.000 0.264 736 M C 2.439 178.737 176.300 -0.003 0.000 1.063 736 M CA 1.569 56.837 55.300 -0.052 0.000 1.114 736 M CB -0.476 32.104 32.600 -0.033 0.000 1.387 736 M HN 0.316 nan 8.290 nan 0.000 0.420 737 A N 0.291 123.111 122.820 -0.000 0.000 2.067 737 A HA 0.071 4.430 4.320 0.065 0.000 0.219 737 A C 2.129 179.753 177.584 0.066 0.000 1.158 737 A CA 1.628 53.686 52.037 0.035 0.000 0.661 737 A CB -0.583 18.433 19.000 0.026 0.000 0.801 737 A HN 0.494 nan 8.150 nan 0.000 0.452 738 A N -2.618 120.218 122.820 0.027 0.000 2.275 738 A HA 0.366 4.725 4.320 0.065 0.000 0.212 738 A C 0.927 178.532 177.584 0.035 0.000 1.201 738 A CA 1.197 53.261 52.037 0.045 0.000 0.843 738 A CB -0.436 18.549 19.000 -0.026 0.000 0.873 738 A HN 0.934 nan 8.150 nan 0.000 0.492 739 H N -1.238 117.772 119.070 -0.101 0.000 4.856 739 H HA -0.186 4.409 4.556 0.065 0.000 0.059 739 H C 0.098 175.200 175.328 -0.377 0.000 0.596 739 H CA 2.387 58.357 56.048 -0.130 0.000 0.946 739 H CB -0.594 29.194 29.762 0.043 0.000 0.453 739 H HN 0.457 nan 8.280 nan 0.000 0.801 740 R N -0.392 119.520 120.500 -0.980 0.000 2.855 740 R HA 0.636 5.015 4.340 0.065 0.000 0.266 740 R C -0.710 174.734 176.300 -1.426 0.000 1.034 740 R CA -0.290 55.000 56.100 -1.351 0.000 0.944 740 R CB 1.752 30.909 30.300 -1.905 0.000 1.219 740 R HN 0.071 nan 8.270 nan 0.000 0.474 741 V N 2.082 121.372 119.914 -1.040 0.000 2.218 741 V HA 0.142 4.301 4.120 0.065 0.000 0.261 741 V C 0.560 176.286 176.094 -0.613 0.000 1.142 741 V CA -0.488 61.386 62.300 -0.711 0.000 0.965 741 V CB 0.009 31.565 31.823 -0.445 0.000 1.190 741 V HN 0.723 nan 8.190 nan 0.000 0.478 742 W N 1.589 122.611 121.300 -0.462 0.000 2.402 742 W HA -0.150 4.549 4.660 0.065 0.000 0.286 742 W C 2.535 178.834 176.519 -0.366 0.000 1.221 742 W CA 0.839 57.816 57.345 -0.613 0.000 1.257 742 W CB -0.313 28.379 29.460 -1.279 0.000 1.120 742 W HN 0.652 nan 8.180 nan 0.000 0.551 743 S N 0.798 116.445 115.700 -0.089 0.000 2.500 743 S HA -0.171 4.338 4.470 0.065 0.000 0.239 743 S C 1.706 176.265 174.600 -0.068 0.000 0.989 743 S CA 0.952 59.121 58.200 -0.050 0.000 0.951 743 S CB -0.426 62.745 63.200 -0.048 0.000 0.759 743 S HN 0.406 nan 8.310 nan 0.000 0.523 744 R N 0.545 120.962 120.500 -0.138 0.000 2.275 744 R HA 0.264 4.643 4.340 0.065 0.000 0.199 744 R C 1.787 178.021 176.300 -0.110 0.000 0.989 744 R CA 0.374 56.374 56.100 -0.167 0.000 1.016 744 R CB -0.351 29.736 30.300 -0.354 0.000 0.918 744 R HN 0.481 nan 8.270 nan 0.000 0.473 745 I N 1.689 122.232 120.570 -0.045 0.000 2.151 745 I HA -0.235 3.974 4.170 0.065 0.000 0.243 745 I C -0.833 175.308 176.117 0.040 0.000 1.080 745 I CA 1.362 62.678 61.300 0.027 0.000 1.339 745 I CB -0.866 37.200 38.000 0.111 0.000 1.039 745 I HN 0.155 nan 8.210 nan 0.000 0.409 746 P HA -0.180 nan 4.420 nan 0.000 0.219 746 P C 1.221 178.551 177.300 0.050 0.000 1.146 746 P CA 1.487 64.617 63.100 0.049 0.000 0.808 746 P CB -0.047 31.679 31.700 0.043 0.000 0.779 747 K N -0.679 119.746 120.400 0.042 0.000 2.418 747 K HA 0.070 4.429 4.320 0.065 0.000 0.195 747 K C 1.873 178.543 176.600 0.117 0.000 1.035 747 K CA 0.461 56.799 56.287 0.085 0.000 1.003 747 K CB -0.265 32.311 32.500 0.127 0.000 0.793 747 K HN 0.288 nan 8.250 nan 0.000 0.494 748 I N -2.536 118.070 120.570 0.060 0.000 3.030 748 I HA -0.004 4.205 4.170 0.065 0.000 0.270 748 I C 1.051 177.211 176.117 0.072 0.000 1.211 748 I CA 0.739 62.077 61.300 0.063 0.000 1.479 748 I CB 0.039 38.028 38.000 -0.017 0.000 1.105 748 I HN -0.165 nan 8.210 nan 0.000 0.447 749 D N 2.353 122.797 120.400 0.072 0.000 2.254 749 D HA -0.208 4.471 4.640 0.065 0.000 0.201 749 D C 2.000 178.340 176.300 0.066 0.000 0.998 749 D CA 1.494 55.538 54.000 0.072 0.000 0.885 749 D CB 0.011 40.853 40.800 0.070 0.000 0.915 749 D HN 0.508 nan 8.370 nan 0.000 0.460 750 K N -0.566 119.875 120.400 0.068 0.000 2.276 750 K HA 0.075 4.434 4.320 0.065 0.000 0.198 750 K C 0.377 177.009 176.600 0.054 0.000 1.052 750 K CA -0.222 56.099 56.287 0.057 0.000 0.984 750 K CB 0.325 32.857 32.500 0.053 0.000 0.836 750 K HN 0.147 nan 8.250 nan 0.000 0.490 751 I N 1.474 122.085 120.570 0.068 0.000 2.598 751 I HA 0.083 4.292 4.170 0.065 0.000 0.284 751 I C -2.497 173.649 176.117 0.047 0.000 1.140 751 I CA -2.777 58.555 61.300 0.054 0.000 1.420 751 I CB -0.354 37.694 38.000 0.080 0.000 1.387 751 I HN -0.097 nan 8.210 nan 0.000 0.553 752 P HA 0.525 nan 4.420 nan 0.000 0.256 752 P C -0.699 176.655 177.300 0.089 0.000 1.689 752 P CA 0.015 63.149 63.100 0.058 0.000 1.124 752 P CB 0.367 32.096 31.700 0.049 0.000 1.766 753 A N 0.000 122.872 122.820 0.086 0.000 2.254 753 A HA 0.000 4.359 4.320 0.065 0.000 0.244 753 A CA 0.000 52.124 52.037 0.146 0.000 0.836 753 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486