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 3pq5_1_B 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 0.000 174.564 174.600 -0.060 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 28 S CB 0.000 63.171 63.200 -0.048 0.000 0.593 29 L N 2.926 124.105 121.223 -0.075 0.000 2.477 29 L HA 0.429 4.791 4.340 0.036 0.000 0.220 29 L C 1.491 178.282 176.870 -0.131 0.000 1.106 29 L CA 0.426 55.218 54.840 -0.080 0.000 0.851 29 L CB -0.393 41.629 42.059 -0.061 0.000 0.994 29 L HN 0.733 nan 8.230 nan 0.000 0.462 30 A N 1.635 124.324 122.820 -0.217 0.000 2.425 30 A HA 0.351 4.693 4.320 0.036 0.000 0.242 30 A C -2.032 175.399 177.584 -0.254 0.000 1.077 30 A CA -0.861 50.923 52.037 -0.422 0.000 0.781 30 A CB -0.570 17.922 19.000 -0.847 0.000 1.020 30 A HN -0.013 nan 8.150 nan 0.000 0.494 31 P HA 0.105 nan 4.420 nan 0.000 0.271 31 P C 0.383 177.666 177.300 -0.028 0.000 1.216 31 P CA -0.131 62.935 63.100 -0.058 0.000 0.776 31 P CB 0.968 32.677 31.700 0.015 0.000 0.881 32 E N 2.611 122.802 120.200 -0.015 0.000 2.132 32 E HA -0.271 4.101 4.350 0.036 0.000 0.218 32 E C 1.115 177.734 176.600 0.031 0.000 1.058 32 E CA 2.377 58.780 56.400 0.004 0.000 0.882 32 E CB -0.712 28.989 29.700 0.002 0.000 0.774 32 E HN 0.633 nan 8.360 nan 0.000 0.467 33 D N -1.294 119.130 120.400 0.040 0.000 2.371 33 D HA 0.034 4.696 4.640 0.036 0.000 0.234 33 D C 1.148 177.495 176.300 0.080 0.000 1.049 33 D CA 0.932 54.961 54.000 0.049 0.000 0.907 33 D CB -0.715 40.107 40.800 0.037 0.000 0.891 33 D HN 0.323 nan 8.370 nan 0.000 0.531 34 G N 0.606 109.491 108.800 0.141 0.000 2.269 34 G HA2 -0.376 3.606 3.960 0.036 0.000 0.277 34 G HA3 -0.376 3.606 3.960 0.036 0.000 0.277 34 G C 0.993 175.989 174.900 0.160 0.000 1.008 34 G CA 0.993 46.239 45.100 0.244 0.000 0.774 34 G HN 0.683 nan 8.290 nan 0.000 0.511 35 S N 0.187 115.989 115.700 0.169 0.000 2.607 35 S HA -0.006 4.486 4.470 0.036 0.000 0.224 35 S C 1.895 176.542 174.600 0.079 0.000 0.969 35 S CA 0.968 59.215 58.200 0.078 0.000 0.927 35 S CB -0.415 62.824 63.200 0.064 0.000 0.772 35 S HN 0.873 nan 8.310 nan 0.000 0.533 36 H N 0.995 120.072 119.070 0.012 0.000 2.502 36 H HA 0.249 4.827 4.556 0.036 0.000 0.283 36 H C 0.838 176.178 175.328 0.020 0.000 1.015 36 H CA 0.386 56.442 56.048 0.014 0.000 1.298 36 H CB -0.360 29.409 29.762 0.012 0.000 1.411 36 H HN 0.338 nan 8.280 nan 0.000 0.556 37 R N 2.415 122.549 120.500 -0.610 0.000 2.255 37 R HA 0.345 4.707 4.340 0.036 0.000 0.326 37 R C -2.599 173.603 176.300 -0.164 0.000 0.986 37 R CA -2.013 53.849 56.100 -0.397 0.000 0.847 37 R CB 0.873 30.884 30.300 -0.482 0.000 1.111 37 R HN 0.110 nan 8.270 nan 0.000 0.452 38 P HA 0.131 nan 4.420 nan 0.000 0.271 38 P C -1.064 176.227 177.300 -0.015 0.000 1.216 38 P CA -0.357 62.731 63.100 -0.020 0.000 0.776 38 P CB 1.064 32.778 31.700 0.023 0.000 0.881 39 A N 2.682 125.499 122.820 -0.004 0.000 2.511 39 A HA 0.393 4.735 4.320 0.036 0.000 0.242 39 A C 0.852 178.446 177.584 0.017 0.000 1.069 39 A CA 0.114 52.153 52.037 0.002 0.000 0.763 39 A CB -0.419 18.585 19.000 0.007 0.000 1.001 39 A HN 0.574 nan 8.150 nan 0.000 0.498 40 A N 3.119 125.949 122.820 0.017 0.000 3.168 40 A HA 0.504 4.846 4.320 0.036 0.000 0.260 40 A C 0.300 177.902 177.584 0.030 0.000 1.598 40 A CA 0.045 52.098 52.037 0.027 0.000 1.285 40 A CB -0.792 18.221 19.000 0.022 0.000 1.149 40 A HN 0.886 nan 8.150 nan 0.000 0.630 41 E N -0.162 120.058 120.200 0.033 0.000 2.392 41 E HA 0.509 4.881 4.350 0.036 0.000 0.279 41 E C -3.248 173.375 176.600 0.037 0.000 0.964 41 E CA -2.484 53.937 56.400 0.035 0.000 0.777 41 E CB 1.315 31.030 29.700 0.025 0.000 1.249 41 E HN 0.087 nan 8.360 nan 0.000 0.449 42 P HA 0.034 nan 4.420 nan 0.000 0.268 42 P C -0.532 176.775 177.300 0.013 0.000 1.204 42 P CA 0.259 63.375 63.100 0.026 0.000 0.768 42 P CB 0.594 32.298 31.700 0.006 0.000 0.842 43 T N 0.263 114.820 114.554 0.005 0.000 2.916 43 T HA 0.592 4.964 4.350 0.036 0.000 0.305 43 T C -3.012 171.659 174.700 -0.050 0.000 1.119 43 T CA -2.442 59.655 62.100 -0.006 0.000 1.008 43 T CB 1.637 70.508 68.868 0.005 0.000 1.129 43 T HN 0.109 nan 8.240 nan 0.000 0.480 44 P HA 0.392 nan 4.420 nan 0.000 0.274 44 P C -2.751 174.405 177.300 -0.241 0.000 1.246 44 P CA -1.639 61.303 63.100 -0.262 0.000 0.795 44 P CB -0.961 30.641 31.700 -0.163 0.000 1.006 45 P HA 0.065 nan 4.420 nan 0.000 0.265 45 P C 1.050 178.305 177.300 -0.074 0.000 1.193 45 P CA 1.387 64.391 63.100 -0.159 0.000 0.765 45 P CB -0.185 31.423 31.700 -0.152 0.000 0.823 46 G N 2.487 111.273 108.800 -0.023 0.000 2.205 46 G HA2 -0.353 3.629 3.960 0.036 0.000 0.261 46 G HA3 -0.353 3.629 3.960 0.036 0.000 0.261 46 G C 1.127 176.027 174.900 -0.000 0.000 0.980 46 G CA 0.447 45.546 45.100 -0.001 0.000 0.632 46 G HN 0.680 nan 8.290 nan 0.000 0.533 47 A N -1.242 121.572 122.820 -0.009 0.000 2.016 47 A HA 0.442 4.784 4.320 0.036 0.000 0.217 47 A C 1.318 178.905 177.584 0.006 0.000 1.162 47 A CA 1.873 53.909 52.037 -0.001 0.000 0.662 47 A CB 0.046 19.043 19.000 -0.006 0.000 0.812 47 A HN 0.483 nan 8.150 nan 0.000 0.450 48 Q N -0.893 118.914 119.800 0.012 0.000 2.456 48 Q HA 0.430 4.791 4.340 0.036 0.000 0.283 48 Q C -2.960 173.056 176.000 0.027 0.000 1.084 48 Q CA -2.039 53.776 55.803 0.019 0.000 0.801 48 Q CB 1.131 29.884 28.738 0.024 0.000 1.434 48 Q HN 0.059 nan 8.270 nan 0.000 0.419 49 P HA 0.031 nan 4.420 nan 0.000 0.268 49 P C -0.198 177.136 177.300 0.058 0.000 1.205 49 P CA 0.082 63.199 63.100 0.028 0.000 0.771 49 P CB 0.246 31.959 31.700 0.021 0.000 0.858 50 T N -0.607 113.983 114.554 0.060 0.000 2.813 50 T HA 0.603 4.974 4.350 0.036 0.000 0.297 50 T C -0.030 174.764 174.700 0.157 0.000 1.036 50 T CA -0.499 61.691 62.100 0.150 0.000 1.044 50 T CB 0.664 69.576 68.868 0.073 0.000 0.993 50 T HN 0.568 nan 8.240 nan 0.000 0.535 51 A N 1.622 124.636 122.820 0.322 0.000 2.606 51 A HA 0.770 5.112 4.320 0.036 0.000 0.293 51 A C -3.016 174.833 177.584 0.442 0.000 1.082 51 A CA -2.002 50.197 52.037 0.270 0.000 0.685 51 A CB 0.739 19.845 19.000 0.178 0.000 1.284 51 A HN 0.677 nan 8.150 nan 0.000 0.408 52 P HA 0.126 nan 4.420 nan 0.000 0.265 52 P C 1.156 178.605 177.300 0.249 0.000 1.187 52 P CA 0.820 64.136 63.100 0.361 0.000 0.766 52 P CB 0.556 32.389 31.700 0.222 0.000 0.820 53 G N 1.917 110.825 108.800 0.180 0.000 2.422 53 G HA2 -0.254 3.728 3.960 0.036 0.000 0.218 53 G HA3 -0.254 3.728 3.960 0.036 0.000 0.218 53 G C 1.533 176.448 174.900 0.025 0.000 1.146 53 G CA 0.990 46.110 45.100 0.033 0.000 0.769 53 G HN 0.594 nan 8.290 nan 0.000 0.547 54 S N 0.124 115.843 115.700 0.032 0.000 2.453 54 S HA 0.117 4.609 4.470 0.036 0.000 0.231 54 S C 2.229 176.847 174.600 0.030 0.000 1.005 54 S CA 0.696 58.900 58.200 0.007 0.000 0.949 54 S CB -0.201 62.997 63.200 -0.005 0.000 0.774 54 S HN 0.312 nan 8.310 nan 0.000 0.510 55 L N -0.055 121.204 121.223 0.059 0.000 2.202 55 L HA 0.225 4.587 4.340 0.036 0.000 0.205 55 L C 2.730 179.633 176.870 0.055 0.000 1.083 55 L CA 0.831 55.705 54.840 0.057 0.000 0.790 55 L CB -0.408 41.693 42.059 0.069 0.000 0.942 55 L HN 0.228 nan 8.230 nan 0.000 0.452 56 K N 1.460 121.904 120.400 0.072 0.000 2.057 56 K HA 0.001 4.342 4.320 0.036 0.000 0.206 56 K C 0.774 177.403 176.600 0.049 0.000 1.050 56 K CA 1.386 57.715 56.287 0.070 0.000 0.935 56 K CB 0.022 32.578 32.500 0.093 0.000 0.715 56 K HN 0.179 nan 8.250 nan 0.000 0.439 57 A N 0.520 123.360 122.820 0.034 0.000 3.317 57 A HA 0.355 4.697 4.320 0.036 0.000 0.307 57 A C -2.229 175.359 177.584 0.007 0.000 1.003 57 A CA -0.966 51.088 52.037 0.028 0.000 0.882 57 A CB 0.616 19.636 19.000 0.032 0.000 1.136 57 A HN 0.117 nan 8.150 nan 0.000 0.488 58 P HA -0.074 nan 4.420 nan 0.000 0.223 58 P C 0.027 177.319 177.300 -0.013 0.000 1.151 58 P CA 1.182 64.281 63.100 -0.003 0.000 0.787 58 P CB 0.328 32.031 31.700 0.005 0.000 0.788 59 D N -1.232 119.165 120.400 -0.005 0.000 2.363 59 D HA 0.044 4.706 4.640 0.036 0.000 0.214 59 D C 0.119 176.406 176.300 -0.021 0.000 1.093 59 D CA 0.375 54.368 54.000 -0.012 0.000 0.837 59 D CB -0.216 40.583 40.800 -0.001 0.000 0.948 59 D HN 0.055 nan 8.370 nan 0.000 0.507 60 T N 2.652 117.190 114.554 -0.026 0.000 2.727 60 T HA 0.272 4.644 4.350 0.036 0.000 0.295 60 T C 0.454 175.109 174.700 -0.075 0.000 0.915 60 T CA -0.371 61.700 62.100 -0.049 0.000 1.066 60 T CB 0.948 69.783 68.868 -0.055 0.000 0.891 60 T HN -0.146 nan 8.240 nan 0.000 0.516 61 R N 3.234 123.684 120.500 -0.084 0.000 2.807 61 R HA 0.661 5.023 4.340 0.036 0.000 0.276 61 R C -0.394 175.847 176.300 -0.100 0.000 0.979 61 R CA -1.031 55.014 56.100 -0.093 0.000 0.928 61 R CB 1.682 31.935 30.300 -0.078 0.000 1.191 61 R HN 0.810 nan 8.270 nan 0.000 0.471 62 N N -2.116 116.527 118.700 -0.094 0.000 2.927 62 N HA 0.039 4.801 4.740 0.036 0.000 0.248 62 N C 0.211 175.675 175.510 -0.077 0.000 1.443 62 N CA -0.811 52.196 53.050 -0.071 0.000 0.870 62 N CB 0.882 39.358 38.487 -0.018 0.000 1.444 62 N HN 0.577 nan 8.380 nan 0.000 0.519 63 E N -0.221 119.947 120.200 -0.053 0.000 2.118 63 E HA -0.274 4.098 4.350 0.036 0.000 0.195 63 E C 1.054 177.581 176.600 -0.122 0.000 0.992 63 E CA 1.457 57.820 56.400 -0.062 0.000 0.804 63 E CB 0.100 29.790 29.700 -0.018 0.000 0.741 63 E HN 0.499 nan 8.360 nan 0.000 0.458 64 K N 0.626 120.915 120.400 -0.186 0.000 2.025 64 K HA -0.076 4.266 4.320 0.036 0.000 0.207 64 K C 2.062 178.493 176.600 -0.282 0.000 1.049 64 K CA 1.153 57.229 56.287 -0.351 0.000 0.933 64 K CB -0.374 31.730 32.500 -0.659 0.000 0.714 64 K HN 0.174 nan 8.250 nan 0.000 0.438 65 L N 0.861 121.935 121.223 -0.248 0.000 2.046 65 L HA -0.202 4.160 4.340 0.036 0.000 0.208 65 L C 1.907 178.659 176.870 -0.197 0.000 1.077 65 L CA 1.250 55.919 54.840 -0.286 0.000 0.747 65 L CB -0.627 41.259 42.059 -0.289 0.000 0.896 65 L HN 0.259 nan 8.230 nan 0.000 0.432 66 N N -0.107 118.505 118.700 -0.147 0.000 2.120 66 N HA -0.176 4.586 4.740 0.036 0.000 0.188 66 N C 2.031 177.479 175.510 -0.103 0.000 1.024 66 N CA 1.778 54.763 53.050 -0.108 0.000 0.852 66 N CB -0.567 37.871 38.487 -0.082 0.000 1.003 66 N HN 0.369 nan 8.380 nan 0.000 0.424 67 S N 0.407 116.037 115.700 -0.117 0.000 2.474 67 S HA 0.020 4.511 4.470 0.036 0.000 0.235 67 S C 1.772 176.309 174.600 -0.106 0.000 0.997 67 S CA 0.406 58.545 58.200 -0.102 0.000 0.949 67 S CB -0.463 62.671 63.200 -0.109 0.000 0.766 67 S HN 0.256 nan 8.310 nan 0.000 0.517 68 L N 0.675 121.819 121.223 -0.132 0.000 2.599 68 L HA 0.203 4.565 4.340 0.036 0.000 0.230 68 L C 2.579 179.397 176.870 -0.086 0.000 1.141 68 L CA 0.447 55.215 54.840 -0.118 0.000 0.877 68 L CB -0.330 41.636 42.059 -0.154 0.000 1.009 68 L HN 0.271 nan 8.230 nan 0.000 0.447 69 E N 1.125 121.279 120.200 -0.078 0.000 2.160 69 E HA -0.257 4.114 4.350 0.036 0.000 0.195 69 E C 1.670 178.246 176.600 -0.040 0.000 0.991 69 E CA 1.546 57.914 56.400 -0.054 0.000 0.810 69 E CB -0.043 29.629 29.700 -0.047 0.000 0.742 69 E HN 0.566 nan 8.360 nan 0.000 0.466 70 D N -0.589 119.785 120.400 -0.042 0.000 2.263 70 D HA -0.134 4.527 4.640 0.036 0.000 0.208 70 D C 1.641 177.922 176.300 -0.031 0.000 0.971 70 D CA 1.467 55.447 54.000 -0.033 0.000 0.867 70 D CB -0.287 40.493 40.800 -0.033 0.000 0.929 70 D HN 0.309 nan 8.370 nan 0.000 0.492 71 V N -3.449 116.444 119.914 -0.036 0.000 3.645 71 V HA 0.310 4.452 4.120 0.036 0.000 0.275 71 V C 0.892 176.972 176.094 -0.022 0.000 1.356 71 V CA -0.648 61.635 62.300 -0.029 0.000 1.051 71 V CB -0.445 31.359 31.823 -0.031 0.000 0.828 71 V HN -0.163 nan 8.190 nan 0.000 0.441 72 R N 2.208 122.694 120.500 -0.023 0.000 2.522 72 R HA 0.355 4.717 4.340 0.036 0.000 0.284 72 R C -0.151 176.144 176.300 -0.008 0.000 1.032 72 R CA 0.244 56.337 56.100 -0.010 0.000 1.049 72 R CB 0.537 30.831 30.300 -0.009 0.000 0.956 72 R HN 0.417 nan 8.270 nan 0.000 0.422 73 K N 1.247 121.646 120.400 -0.001 0.000 2.345 73 K HA 0.341 4.683 4.320 0.036 0.000 0.255 73 K C -0.056 176.555 176.600 0.020 0.000 0.934 73 K CA -0.486 55.791 56.287 -0.018 0.000 0.801 73 K CB 1.806 34.275 32.500 -0.051 0.000 1.137 73 K HN 0.699 nan 8.250 nan 0.000 0.424 74 G N 0.488 109.321 108.800 0.055 0.000 2.582 74 G HA2 0.256 4.238 3.960 0.036 0.000 0.232 74 G HA3 0.256 4.238 3.960 0.036 0.000 0.232 74 G C 0.326 175.327 174.900 0.168 0.000 1.458 74 G CA 0.328 45.509 45.100 0.136 0.000 1.062 74 G HN 0.733 nan 8.290 nan 0.000 0.566 75 S N -2.722 113.161 115.700 0.304 0.000 2.323 75 S HA 0.100 4.592 4.470 0.036 0.000 0.233 75 S C 0.182 174.958 174.600 0.292 0.000 0.898 75 S CA -0.116 58.267 58.200 0.305 0.000 1.321 75 S CB -0.043 63.245 63.200 0.147 0.000 0.921 75 S HN 0.494 nan 8.310 nan 0.000 0.398 76 E N 3.134 123.421 120.200 0.145 0.000 2.415 76 E HA 0.266 4.638 4.350 0.036 0.000 0.263 76 E C -0.298 176.217 176.600 -0.142 0.000 0.995 76 E CA 0.168 56.580 56.400 0.019 0.000 0.915 76 E CB 0.028 29.730 29.700 0.004 0.000 0.951 76 E HN 0.389 nan 8.360 nan 0.000 0.449 77 N N 1.017 119.647 118.700 -0.116 0.000 2.782 77 N HA -0.207 4.555 4.740 0.036 0.000 0.251 77 N C -1.268 174.087 175.510 -0.259 0.000 1.101 77 N CA 1.097 54.033 53.050 -0.191 0.000 0.764 77 N CB -1.320 37.015 38.487 -0.254 0.000 1.122 77 N HN 0.382 nan 8.380 nan 0.000 0.561 78 Y N 0.409 120.715 120.300 0.009 0.000 2.487 78 Y HA 0.648 5.220 4.550 0.037 0.000 0.337 78 Y C 0.769 176.672 175.900 0.005 0.000 1.076 78 Y CA -0.747 57.357 58.100 0.007 0.000 1.115 78 Y CB 1.213 39.678 38.460 0.007 0.000 1.235 78 Y HN 0.124 nan 8.280 nan 0.000 0.468 79 A N 2.515 125.447 122.820 0.187 0.000 2.388 79 A HA 0.397 4.739 4.320 0.036 0.000 0.257 79 A C -0.704 176.930 177.584 0.082 0.000 1.095 79 A CA -0.505 51.592 52.037 0.101 0.000 0.791 79 A CB 0.070 19.116 19.000 0.077 0.000 1.029 79 A HN 0.703 nan 8.150 nan 0.000 0.489 80 L N 3.084 124.337 121.223 0.049 0.000 2.462 80 L HA 0.434 4.796 4.340 0.036 0.000 0.272 80 L C 0.732 177.612 176.870 0.016 0.000 1.166 80 L CA 1.277 56.131 54.840 0.025 0.000 0.880 80 L CB 0.034 42.099 42.059 0.010 0.000 1.142 80 L HN 0.906 nan 8.230 nan 0.000 0.473 81 T N 0.497 115.054 114.554 0.006 0.000 2.864 81 T HA 0.672 5.044 4.350 0.036 0.000 0.289 81 T C 0.256 174.959 174.700 0.004 0.000 1.082 81 T CA -0.187 61.919 62.100 0.010 0.000 1.009 81 T CB 1.026 69.901 68.868 0.012 0.000 1.234 81 T HN 0.781 nan 8.240 nan 0.000 0.526 82 T N 0.337 114.908 114.554 0.029 0.000 2.701 82 T HA 0.177 4.548 4.350 0.036 0.000 0.303 82 T C 1.145 175.862 174.700 0.028 0.000 1.030 82 T CA -0.459 61.666 62.100 0.043 0.000 1.010 82 T CB -0.122 68.819 68.868 0.120 0.000 1.007 82 T HN 0.574 nan 8.240 nan 0.000 0.532 83 N N 0.611 119.330 118.700 0.032 0.000 2.443 83 N HA -0.090 4.672 4.740 0.036 0.000 0.184 83 N C 1.571 177.101 175.510 0.033 0.000 1.037 83 N CA 0.735 53.798 53.050 0.021 0.000 0.896 83 N CB -0.217 38.292 38.487 0.036 0.000 0.959 83 N HN 0.568 nan 8.380 nan 0.000 0.442 84 Q N -0.621 119.213 119.800 0.055 0.000 2.360 84 Q HA 0.195 4.556 4.340 0.036 0.000 0.202 84 Q C 0.826 176.850 176.000 0.039 0.000 0.915 84 Q CA 0.235 56.066 55.803 0.047 0.000 0.943 84 Q CB 0.471 29.244 28.738 0.058 0.000 1.064 84 Q HN 0.421 nan 8.270 nan 0.000 0.511 85 G N 0.372 109.193 108.800 0.035 0.000 2.141 85 G HA2 -0.226 3.756 3.960 0.036 0.000 0.231 85 G HA3 -0.226 3.756 3.960 0.036 0.000 0.231 85 G C 0.037 174.963 174.900 0.043 0.000 0.984 85 G CA 0.103 45.218 45.100 0.026 0.000 0.660 85 G HN 0.209 nan 8.290 nan 0.000 0.525 86 V N 1.545 121.501 119.914 0.070 0.000 2.407 86 V HA 0.414 4.556 4.120 0.036 0.000 0.278 86 V C 1.219 177.356 176.094 0.070 0.000 1.037 86 V CA -0.703 61.651 62.300 0.090 0.000 0.900 86 V CB 1.273 33.197 31.823 0.168 0.000 0.983 86 V HN 0.385 nan 8.190 nan 0.000 0.459 87 R N 4.232 124.765 120.500 0.056 0.000 2.489 87 R HA 0.354 4.716 4.340 0.036 0.000 0.287 87 R C -0.515 175.802 176.300 0.028 0.000 1.053 87 R CA -0.031 56.092 56.100 0.039 0.000 1.036 87 R CB 0.494 30.816 30.300 0.037 0.000 0.966 87 R HN 0.585 nan 8.270 nan 0.000 0.432 88 I N 2.438 123.012 120.570 0.007 0.000 2.331 88 I HA 0.106 4.298 4.170 0.036 0.000 0.292 88 I C 1.049 177.157 176.117 -0.015 0.000 0.998 88 I CA -0.008 61.280 61.300 -0.020 0.000 1.267 88 I CB 1.836 39.813 38.000 -0.038 0.000 1.386 88 I HN 0.774 nan 8.210 nan 0.000 0.476 89 A N 4.263 127.070 122.820 -0.020 0.000 1.903 89 A HA -0.026 4.316 4.320 0.036 0.000 0.213 89 A C 0.758 178.328 177.584 -0.024 0.000 1.185 89 A CA 1.049 53.077 52.037 -0.015 0.000 0.628 89 A CB 0.021 19.015 19.000 -0.011 0.000 0.830 89 A HN 0.695 nan 8.150 nan 0.000 0.446 90 D N -0.592 119.785 120.400 -0.038 0.000 2.440 90 D HA 0.307 4.969 4.640 0.036 0.000 0.252 90 D C -1.306 174.962 176.300 -0.053 0.000 1.180 90 D CA -0.384 53.592 54.000 -0.040 0.000 0.894 90 D CB 1.072 41.849 40.800 -0.040 0.000 1.111 90 D HN 0.052 nan 8.370 nan 0.000 0.544 91 D N 1.995 122.366 120.400 -0.047 0.000 2.370 91 D HA 0.046 4.708 4.640 0.036 0.000 0.230 91 D C 0.659 176.927 176.300 -0.053 0.000 1.143 91 D CA 0.297 54.265 54.000 -0.054 0.000 0.834 91 D CB 0.502 41.275 40.800 -0.045 0.000 0.944 91 D HN 0.251 nan 8.370 nan 0.000 0.504 92 Q N -0.673 119.097 119.800 -0.050 0.000 2.280 92 Q HA 0.257 4.619 4.340 0.036 0.000 0.228 92 Q C -0.166 175.804 176.000 -0.050 0.000 0.857 92 Q CA 0.180 55.954 55.803 -0.047 0.000 0.939 92 Q CB 0.815 29.530 28.738 -0.038 0.000 1.114 92 Q HN 0.184 nan 8.270 nan 0.000 0.514 93 N N 0.128 118.796 118.700 -0.053 0.000 2.264 93 N HA 0.291 5.053 4.740 0.036 0.000 0.288 93 N C -0.985 174.489 175.510 -0.059 0.000 1.094 93 N CA -0.225 52.795 53.050 -0.051 0.000 0.817 93 N CB 2.146 40.608 38.487 -0.041 0.000 1.604 93 N HN -0.174 nan 8.380 nan 0.000 0.473 94 S N 0.782 116.450 115.700 -0.054 0.000 2.593 94 S HA 0.252 4.743 4.470 0.036 0.000 0.269 94 S C 0.163 174.735 174.600 -0.046 0.000 1.334 94 S CA -0.504 57.663 58.200 -0.054 0.000 1.015 94 S CB 0.626 63.800 63.200 -0.042 0.000 0.912 94 S HN 0.396 nan 8.310 nan 0.000 0.541 95 L N 3.297 124.493 121.223 -0.045 0.000 2.290 95 L HA 0.502 4.864 4.340 0.036 0.000 0.284 95 L C -0.009 176.852 176.870 -0.016 0.000 1.078 95 L CA 0.235 55.057 54.840 -0.029 0.000 0.815 95 L CB 0.110 42.153 42.059 -0.027 0.000 1.162 95 L HN 0.751 nan 8.230 nan 0.000 0.435 96 R N 4.108 124.602 120.500 -0.011 0.000 2.799 96 R HA 0.858 5.220 4.340 0.036 0.000 0.270 96 R C -1.237 175.061 176.300 -0.002 0.000 1.010 96 R CA -0.821 55.275 56.100 -0.006 0.000 0.916 96 R CB 1.191 31.485 30.300 -0.010 0.000 1.228 96 R HN 0.599 nan 8.270 nan 0.000 0.469 97 A N 1.401 124.221 122.820 0.000 0.000 2.666 97 A HA 0.594 4.936 4.320 0.036 0.000 0.312 97 A C 0.640 178.224 177.584 -0.000 0.000 1.471 97 A CA 0.304 52.343 52.037 0.002 0.000 1.134 97 A CB -0.904 18.099 19.000 0.004 0.000 1.129 97 A HN 1.269 nan 8.150 nan 0.000 0.539 98 G N 1.128 109.927 108.800 -0.001 0.000 2.712 98 G HA2 0.020 4.001 3.960 0.036 0.000 0.686 98 G HA3 0.020 4.001 3.960 0.036 0.000 0.686 98 G C 0.708 175.605 174.900 -0.005 0.000 1.321 98 G CA 0.160 45.258 45.100 -0.003 0.000 0.813 98 G HN 1.853 nan 8.290 nan 0.000 0.599 99 S N -0.477 115.219 115.700 -0.007 0.000 2.515 99 S HA 0.042 4.534 4.470 0.036 0.000 0.231 99 S C 1.507 176.102 174.600 -0.010 0.000 0.987 99 S CA 1.306 59.501 58.200 -0.009 0.000 0.936 99 S CB 0.088 63.282 63.200 -0.010 0.000 0.766 99 S HN 0.739 nan 8.310 nan 0.000 0.528 100 R N 0.879 121.375 120.500 -0.008 0.000 2.613 100 R HA 0.339 4.701 4.340 0.036 0.000 0.361 100 R C 0.809 177.105 176.300 -0.006 0.000 1.072 100 R CA 0.027 56.123 56.100 -0.008 0.000 1.089 100 R CB 0.811 31.107 30.300 -0.007 0.000 1.343 100 R HN 0.442 nan 8.270 nan 0.000 0.571 101 G N 1.710 110.506 108.800 -0.006 0.000 2.557 101 G HA2 0.388 4.370 3.960 0.036 0.000 0.302 101 G HA3 0.388 4.370 3.960 0.036 0.000 0.302 101 G C -2.405 172.493 174.900 -0.004 0.000 1.311 101 G CA -1.130 43.968 45.100 -0.004 0.000 1.030 101 G HN -0.103 nan 8.290 nan 0.000 0.509 102 P HA 0.201 nan 4.420 nan 0.000 0.275 102 P C -0.150 177.149 177.300 -0.001 0.000 1.228 102 P CA -0.035 63.064 63.100 -0.001 0.000 0.786 102 P CB 0.769 32.470 31.700 0.002 0.000 0.927 103 T N 2.840 117.392 114.554 -0.003 0.000 2.901 103 T HA 0.244 4.616 4.350 0.036 0.000 0.301 103 T C 0.531 175.233 174.700 0.005 0.000 1.012 103 T CA -0.151 61.947 62.100 -0.003 0.000 1.135 103 T CB 0.003 68.866 68.868 -0.007 0.000 0.936 103 T HN 0.194 nan 8.240 nan 0.000 0.539 104 L N 3.579 124.806 121.223 0.007 0.000 2.334 104 L HA 0.285 4.647 4.340 0.036 0.000 0.277 104 L C 1.395 178.281 176.870 0.028 0.000 1.075 104 L CA -0.770 54.081 54.840 0.018 0.000 0.804 104 L CB 0.779 42.851 42.059 0.022 0.000 1.174 104 L HN 0.506 nan 8.230 nan 0.000 0.438 105 L N 2.446 123.690 121.223 0.034 0.000 2.201 105 L HA -0.169 4.193 4.340 0.036 0.000 0.212 105 L C 2.274 179.184 176.870 0.068 0.000 1.105 105 L CA 1.562 56.429 54.840 0.045 0.000 0.775 105 L CB -0.625 41.459 42.059 0.040 0.000 0.913 105 L HN 0.791 nan 8.230 nan 0.000 0.440 106 E N -1.512 118.732 120.200 0.073 0.000 2.516 106 E HA -0.175 4.197 4.350 0.036 0.000 0.199 106 E C 0.192 176.898 176.600 0.176 0.000 1.069 106 E CA 0.234 56.707 56.400 0.121 0.000 0.876 106 E CB -0.510 29.253 29.700 0.104 0.000 0.843 106 E HN 0.366 nan 8.360 nan 0.000 0.530 107 D N 1.212 121.667 120.400 0.091 0.000 2.498 107 D HA -0.046 4.616 4.640 0.036 0.000 0.229 107 D C 0.503 176.808 176.300 0.008 0.000 1.188 107 D CA -0.506 53.497 54.000 0.004 0.000 1.028 107 D CB -0.256 40.518 40.800 -0.043 0.000 1.087 107 D HN 0.310 nan 8.370 nan 0.000 0.510 108 F N 1.750 121.709 119.950 0.014 0.000 2.365 108 F HA 0.029 4.577 4.527 0.036 0.000 0.300 108 F C 1.634 177.446 175.800 0.021 0.000 1.090 108 F CA 0.225 58.237 58.000 0.019 0.000 1.408 108 F CB -0.659 38.352 39.000 0.018 0.000 1.060 108 F HN 0.170 nan 8.300 nan 0.000 0.534 109 I N 0.450 120.569 120.570 -0.752 0.000 2.163 109 I HA -0.222 3.969 4.170 0.036 0.000 0.240 109 I C 2.529 178.531 176.117 -0.192 0.000 1.081 109 I CA 1.235 62.238 61.300 -0.495 0.000 1.353 109 I CB -0.623 37.029 38.000 -0.579 0.000 1.054 109 I HN 0.287 nan 8.210 nan 0.000 0.407 110 L N 1.168 122.293 121.223 -0.164 0.000 1.990 110 L HA -0.228 4.134 4.340 0.036 0.000 0.213 110 L C 2.662 179.519 176.870 -0.021 0.000 1.072 110 L CA 1.930 56.721 54.840 -0.081 0.000 0.755 110 L CB -0.591 41.427 42.059 -0.068 0.000 0.889 110 L HN 0.057 nan 8.230 nan 0.000 0.432 111 R N -0.700 119.806 120.500 0.010 0.000 2.092 111 R HA -0.168 4.194 4.340 0.036 0.000 0.231 111 R C 2.334 178.687 176.300 0.088 0.000 1.119 111 R CA 1.477 57.612 56.100 0.059 0.000 0.970 111 R CB -0.353 29.999 30.300 0.086 0.000 0.864 111 R HN 0.589 nan 8.270 nan 0.000 0.440 112 E N 1.105 121.361 120.200 0.093 0.000 2.077 112 E HA -0.249 4.123 4.350 0.036 0.000 0.193 112 E C 1.926 178.602 176.600 0.127 0.000 0.989 112 E CA 1.304 57.779 56.400 0.125 0.000 0.800 112 E CB 0.105 29.882 29.700 0.129 0.000 0.746 112 E HN 0.154 nan 8.360 nan 0.000 0.452 113 K N 0.254 120.697 120.400 0.072 0.000 2.057 113 K HA -0.136 4.206 4.320 0.036 0.000 0.207 113 K C 2.088 178.761 176.600 0.122 0.000 1.049 113 K CA 1.292 57.620 56.287 0.069 0.000 0.931 113 K CB -0.007 32.491 32.500 -0.003 0.000 0.714 113 K HN 0.134 nan 8.250 nan 0.000 0.440 114 I N 1.341 121.965 120.570 0.089 0.000 2.353 114 I HA -0.162 4.030 4.170 0.036 0.000 0.248 114 I C 2.095 178.315 176.117 0.172 0.000 1.119 114 I CA 1.246 62.617 61.300 0.119 0.000 1.417 114 I CB -1.422 36.611 38.000 0.054 0.000 1.078 114 I HN 0.219 nan 8.210 nan 0.000 0.421 115 T N -0.181 114.468 114.554 0.158 0.000 2.720 115 T HA -0.224 4.148 4.350 0.036 0.000 0.268 115 T C 1.954 176.786 174.700 0.220 0.000 1.037 115 T CA 1.438 63.653 62.100 0.192 0.000 1.144 115 T CB -0.412 68.578 68.868 0.204 0.000 0.864 115 T HN 0.340 nan 8.240 nan 0.000 0.444 116 H N -0.036 119.126 119.070 0.154 0.000 2.326 116 H HA -0.053 4.525 4.556 0.037 0.000 0.301 116 H C 2.191 177.576 175.328 0.095 0.000 1.081 116 H CA 1.550 57.674 56.048 0.127 0.000 1.334 116 H CB -0.508 29.308 29.762 0.091 0.000 1.385 116 H HN 0.382 nan 8.280 nan 0.000 0.504 117 F N 2.106 122.117 119.950 0.102 0.000 2.120 117 F HA -0.228 4.323 4.527 0.039 0.000 0.300 117 F C 1.905 177.648 175.800 -0.096 0.000 1.095 117 F CA 1.919 59.923 58.000 0.007 0.000 1.249 117 F CB -0.290 38.709 39.000 -0.002 0.000 0.995 117 F HN 0.101 nan 8.300 nan 0.000 0.480 118 D N -1.460 118.845 120.400 -0.158 0.000 2.312 118 D HA -0.099 4.562 4.640 0.036 0.000 0.211 118 D C 1.133 177.021 176.300 -0.687 0.000 0.964 118 D CA 1.041 54.779 54.000 -0.437 0.000 0.877 118 D CB -0.324 40.202 40.800 -0.457 0.000 0.924 118 D HN 0.489 nan 8.370 nan 0.000 0.515 119 H N -0.404 118.549 119.070 -0.194 0.000 2.510 119 H HA 0.227 4.804 4.556 0.036 0.000 0.266 119 H C 0.977 176.151 175.328 -0.257 0.000 1.146 119 H CA -0.113 55.818 56.048 -0.194 0.000 0.993 119 H CB 0.510 30.177 29.762 -0.158 0.000 1.727 119 H HN 0.249 nan 8.280 nan 0.000 0.590 120 E N 0.733 120.773 120.200 -0.266 0.000 2.153 120 E HA -0.061 4.311 4.350 0.036 0.000 0.194 120 E C 0.520 176.969 176.600 -0.253 0.000 0.988 120 E CA 0.660 56.876 56.400 -0.306 0.000 0.811 120 E CB 0.418 29.912 29.700 -0.344 0.000 0.746 120 E HN 0.160 nan 8.360 nan 0.000 0.466 121 R N 1.128 121.539 120.500 -0.147 0.000 2.410 121 R HA 0.361 4.723 4.340 0.036 0.000 0.288 121 R C 0.378 176.720 176.300 0.071 0.000 1.051 121 R CA -0.285 55.802 56.100 -0.022 0.000 1.021 121 R CB 0.787 31.067 30.300 -0.034 0.000 1.032 121 R HN 0.155 nan 8.270 nan 0.000 0.481 122 I N -0.919 119.758 120.570 0.178 0.000 2.797 122 I HA 0.578 4.770 4.170 0.036 0.000 0.307 122 I C -2.219 173.964 176.117 0.111 0.000 1.033 122 I CA -2.934 58.458 61.300 0.154 0.000 1.071 122 I CB 1.757 39.883 38.000 0.209 0.000 1.255 122 I HN 0.256 nan 8.210 nan 0.000 0.445 123 P HA 0.061 nan 4.420 nan 0.000 0.264 123 P C -0.877 176.457 177.300 0.055 0.000 1.183 123 P CA -0.007 63.124 63.100 0.052 0.000 0.763 123 P CB 0.378 32.099 31.700 0.034 0.000 0.807 124 E N 2.704 122.938 120.200 0.057 0.000 2.371 124 E HA 0.217 4.589 4.350 0.036 0.000 0.257 124 E C -0.408 176.221 176.600 0.048 0.000 1.134 124 E CA -0.887 55.551 56.400 0.064 0.000 0.919 124 E CB 0.659 30.402 29.700 0.073 0.000 1.025 124 E HN 0.263 nan 8.360 nan 0.000 0.438 125 R N 0.614 121.148 120.500 0.057 0.000 2.698 125 R HA -0.003 4.359 4.340 0.036 0.000 0.266 125 R C 1.313 177.650 176.300 0.061 0.000 1.026 125 R CA -0.437 55.694 56.100 0.052 0.000 1.102 125 R CB 0.285 30.635 30.300 0.083 0.000 0.978 125 R HN 0.574 nan 8.270 nan 0.000 0.436 126 I N 1.736 122.338 120.570 0.053 0.000 2.226 126 I HA -0.131 4.061 4.170 0.036 0.000 0.245 126 I C 1.224 177.399 176.117 0.096 0.000 1.100 126 I CA 1.511 62.851 61.300 0.067 0.000 1.374 126 I CB -1.018 37.028 38.000 0.075 0.000 1.057 126 I HN 0.383 nan 8.210 nan 0.000 0.413 127 V N -3.119 116.887 119.914 0.154 0.000 3.001 127 V HA 0.516 4.657 4.120 0.036 0.000 0.314 127 V C 0.394 176.667 176.094 0.298 0.000 1.099 127 V CA -0.832 61.590 62.300 0.203 0.000 0.989 127 V CB 1.745 33.762 31.823 0.324 0.000 1.040 127 V HN 0.453 nan 8.190 nan 0.000 0.434 128 H N 0.352 119.489 119.070 0.111 0.000 2.862 128 H HA -0.215 4.359 4.556 0.031 0.000 0.290 128 H C 1.535 176.913 175.328 0.083 0.000 1.211 128 H CA 0.720 56.827 56.048 0.099 0.000 1.140 128 H CB -1.243 28.567 29.762 0.079 0.000 1.341 128 H HN 1.152 nan 8.280 nan 0.000 0.392 129 A N 0.756 123.670 122.820 0.157 0.000 2.019 129 A HA -0.106 4.235 4.320 0.036 0.000 0.219 129 A C 1.666 179.341 177.584 0.152 0.000 1.164 129 A CA 1.357 53.473 52.037 0.133 0.000 0.644 129 A CB -0.080 18.977 19.000 0.093 0.000 0.805 129 A HN 0.276 nan 8.150 nan 0.000 0.449 130 R N 0.032 120.623 120.500 0.152 0.000 2.207 130 R HA 0.533 4.894 4.340 0.036 0.000 0.334 130 R C -0.177 176.251 176.300 0.214 0.000 1.013 130 R CA 0.636 56.843 56.100 0.177 0.000 0.858 130 R CB 0.467 30.856 30.300 0.149 0.000 1.094 130 R HN 0.324 nan 8.270 nan 0.000 0.457 131 G N 0.821 109.774 108.800 0.255 0.000 2.632 131 G HA2 0.505 4.487 3.960 0.036 0.000 0.292 131 G HA3 0.505 4.487 3.960 0.036 0.000 0.292 131 G C -1.644 173.420 174.900 0.274 0.000 1.465 131 G CA -0.589 44.632 45.100 0.203 0.000 0.824 131 G HN 0.513 nan 8.290 nan 0.000 0.509 132 S N -1.127 114.682 115.700 0.181 0.000 2.541 132 S HA 0.909 5.401 4.470 0.036 0.000 0.280 132 S C -0.236 174.390 174.600 0.043 0.000 1.112 132 S CA -0.093 58.277 58.200 0.283 0.000 0.925 132 S CB 1.808 65.273 63.200 0.442 0.000 1.067 132 S HN 1.695 nan 8.310 nan 0.000 0.479 133 A N 1.348 124.163 122.820 -0.009 0.000 2.515 133 A HA 1.020 5.362 4.320 0.036 0.000 0.296 133 A C -1.043 176.353 177.584 -0.313 0.000 1.094 133 A CA -0.677 51.123 52.037 -0.395 0.000 0.718 133 A CB 1.612 20.219 19.000 -0.655 0.000 1.307 133 A HN 1.365 nan 8.150 nan 0.000 0.408 134 A N 0.658 123.142 122.820 -0.560 0.000 2.606 134 A HA 0.730 5.071 4.320 0.036 0.000 0.293 134 A C -1.118 176.293 177.584 -0.288 0.000 1.082 134 A CA -0.647 51.230 52.037 -0.266 0.000 0.685 134 A CB 0.786 19.708 19.000 -0.131 0.000 1.284 134 A HN 0.878 nan 8.150 nan 0.000 0.408 135 H N -0.205 118.912 119.070 0.078 0.000 2.511 135 H HA 0.645 5.223 4.556 0.038 0.000 0.346 135 H C 0.641 175.972 175.328 0.005 0.000 1.128 135 H CA 1.051 57.183 56.048 0.141 0.000 1.342 135 H CB 1.781 31.610 29.762 0.112 0.000 1.470 135 H HN 1.116 nan 8.280 nan 0.000 0.546 136 G N 1.045 109.940 108.800 0.158 0.000 2.588 136 G HA2 0.364 4.346 3.960 0.036 0.000 0.281 136 G HA3 0.364 4.346 3.960 0.036 0.000 0.281 136 G C -1.970 173.063 174.900 0.222 0.000 1.223 136 G CA -0.628 44.531 45.100 0.100 0.000 0.871 136 G HN 0.618 nan 8.290 nan 0.000 0.492 137 Y N -1.806 118.530 120.300 0.059 0.000 2.625 137 Y HA 0.837 5.409 4.550 0.036 0.000 0.338 137 Y C -1.724 174.316 175.900 0.234 0.000 1.123 137 Y CA -1.952 56.231 58.100 0.137 0.000 1.046 137 Y CB 1.923 40.440 38.460 0.094 0.000 1.299 137 Y HN 0.764 nan 8.280 nan 0.000 0.464 138 F N 2.041 122.151 119.950 0.266 0.000 2.563 138 F HA 0.690 5.240 4.527 0.039 0.000 0.316 138 F C -1.170 174.852 175.800 0.371 0.000 1.076 138 F CA -0.580 57.589 58.000 0.281 0.000 0.921 138 F CB 2.321 41.618 39.000 0.496 0.000 1.209 138 F HN 0.790 nan 8.300 nan 0.000 0.462 139 Q N 6.681 125.949 119.800 -0.887 0.000 2.309 139 Q HA 0.493 4.855 4.340 0.036 0.000 0.273 139 Q C -2.906 172.535 176.000 -0.932 0.000 1.040 139 Q CA -2.399 53.073 55.803 -0.551 0.000 0.834 139 Q CB 2.991 31.697 28.738 -0.055 0.000 1.345 139 Q HN 0.331 nan 8.270 nan 0.000 0.414 140 P HA 0.039 nan 4.420 nan 0.000 0.274 140 P C -0.551 176.693 177.300 -0.092 0.000 1.237 140 P CA 0.192 63.112 63.100 -0.300 0.000 0.793 140 P CB 0.440 32.106 31.700 -0.056 0.000 0.977 141 Y N 0.334 120.585 120.300 -0.081 0.000 2.420 141 Y HA -0.004 4.569 4.550 0.038 0.000 0.292 141 Y C 1.370 177.250 175.900 -0.035 0.000 1.119 141 Y CA 0.172 58.243 58.100 -0.049 0.000 1.229 141 Y CB 0.399 38.836 38.460 -0.038 0.000 1.026 141 Y HN 0.352 nan 8.280 nan 0.000 0.554 142 K N -1.061 119.412 120.400 0.122 0.000 2.607 142 K HA 0.277 4.619 4.320 0.036 0.000 0.287 142 K C -1.060 175.553 176.600 0.021 0.000 0.996 142 K CA -0.881 55.443 56.287 0.061 0.000 0.876 142 K CB 1.353 33.887 32.500 0.058 0.000 1.496 142 K HN -0.247 nan 8.250 nan 0.000 0.415 143 S N 0.961 116.669 115.700 0.013 0.000 2.537 143 S HA 0.143 4.635 4.470 0.036 0.000 0.286 143 S C 0.462 175.054 174.600 -0.013 0.000 1.299 143 S CA -0.574 57.623 58.200 -0.005 0.000 1.067 143 S CB -0.235 62.964 63.200 -0.001 0.000 0.864 143 S HN 0.526 nan 8.310 nan 0.000 0.494 144 L N 4.809 126.013 121.223 -0.032 0.000 2.791 144 L HA 0.161 4.523 4.340 0.036 0.000 0.239 144 L C 1.747 178.601 176.870 -0.027 0.000 1.203 144 L CA -0.202 54.625 54.840 -0.022 0.000 1.002 144 L CB -0.153 41.897 42.059 -0.014 0.000 1.295 144 L HN 0.615 nan 8.230 nan 0.000 0.504 145 S N -0.070 115.612 115.700 -0.029 0.000 2.440 145 S HA -0.167 4.325 4.470 0.036 0.000 0.238 145 S C 1.297 175.880 174.600 -0.028 0.000 1.010 145 S CA 1.161 59.341 58.200 -0.032 0.000 0.972 145 S CB -0.121 63.065 63.200 -0.023 0.000 0.774 145 S HN 0.487 nan 8.310 nan 0.000 0.501 146 D N 1.698 122.086 120.400 -0.019 0.000 2.178 146 D HA -0.053 4.609 4.640 0.036 0.000 0.201 146 D C 1.765 178.049 176.300 -0.027 0.000 0.980 146 D CA 1.012 55.001 54.000 -0.019 0.000 0.842 146 D CB -0.165 40.629 40.800 -0.009 0.000 0.948 146 D HN 0.653 nan 8.370 nan 0.000 0.472 147 I N -4.103 116.452 120.570 -0.026 0.000 4.187 147 I HA 0.215 4.407 4.170 0.036 0.000 0.326 147 I C 0.484 176.560 176.117 -0.069 0.000 1.302 147 I CA 0.010 61.286 61.300 -0.040 0.000 1.196 147 I CB 1.051 39.045 38.000 -0.010 0.000 1.095 147 I HN -0.244 nan 8.210 nan 0.000 0.411 148 T N 1.665 116.180 114.554 -0.065 0.000 2.956 148 T HA 0.314 4.686 4.350 0.036 0.000 0.312 148 T C -0.033 174.612 174.700 -0.092 0.000 1.151 148 T CA -0.742 61.299 62.100 -0.099 0.000 1.024 148 T CB 1.750 70.546 68.868 -0.120 0.000 1.140 148 T HN 0.422 nan 8.240 nan 0.000 0.473 149 K N 2.594 122.939 120.400 -0.093 0.000 2.476 149 K HA 0.549 4.891 4.320 0.036 0.000 0.196 149 K C 0.679 177.236 176.600 -0.071 0.000 1.025 149 K CA -0.364 55.880 56.287 -0.072 0.000 1.138 149 K CB 0.169 32.633 32.500 -0.060 0.000 0.860 149 K HN 0.484 nan 8.250 nan 0.000 0.515 150 A N 2.087 124.839 122.820 -0.114 0.000 2.522 150 A HA -0.044 4.298 4.320 0.036 0.000 0.256 150 A C 0.572 178.107 177.584 -0.081 0.000 1.086 150 A CA 0.031 52.006 52.037 -0.104 0.000 0.763 150 A CB 0.092 18.960 19.000 -0.220 0.000 1.024 150 A HN 0.511 nan 8.150 nan 0.000 0.502 151 D N 2.304 122.734 120.400 0.050 0.000 2.144 151 D HA -0.223 4.438 4.640 0.036 0.000 0.199 151 D C 1.362 177.730 176.300 0.113 0.000 0.984 151 D CA 2.074 56.119 54.000 0.075 0.000 0.834 151 D CB -0.246 40.621 40.800 0.112 0.000 0.955 151 D HN 0.733 nan 8.370 nan 0.000 0.465 152 F N -0.348 119.623 119.950 0.035 0.000 2.408 152 F HA 0.086 4.636 4.527 0.038 0.000 0.300 152 F C 1.067 176.951 175.800 0.140 0.000 1.090 152 F CA 0.514 58.575 58.000 0.103 0.000 1.427 152 F CB -0.295 38.771 39.000 0.110 0.000 1.070 152 F HN -0.055 nan 8.300 nan 0.000 0.549 153 L N 0.940 121.848 121.223 -0.526 0.000 2.741 153 L HA 0.201 4.563 4.340 0.036 0.000 0.237 153 L C 1.814 178.594 176.870 -0.150 0.000 1.178 153 L CA 0.319 54.925 54.840 -0.391 0.000 0.973 153 L CB -0.198 41.531 42.059 -0.550 0.000 1.255 153 L HN 0.337 nan 8.230 nan 0.000 0.498 154 S N -2.891 112.766 115.700 -0.072 0.000 2.503 154 S HA 0.087 4.578 4.470 0.036 0.000 0.217 154 S C 0.476 175.073 174.600 -0.004 0.000 0.999 154 S CA -0.239 57.941 58.200 -0.034 0.000 0.914 154 S CB 0.414 63.607 63.200 -0.011 0.000 0.782 154 S HN 0.343 nan 8.310 nan 0.000 0.520 155 D N 0.644 121.053 120.400 0.014 0.000 2.886 155 D HA 0.252 4.914 4.640 0.036 0.000 0.216 155 D C -2.573 173.748 176.300 0.036 0.000 1.256 155 D CA -1.544 52.472 54.000 0.026 0.000 0.844 155 D CB 2.401 43.222 40.800 0.035 0.000 1.669 155 D HN -0.163 nan 8.370 nan 0.000 0.513 156 P HA -0.120 nan 4.420 nan 0.000 0.221 156 P C 0.815 178.143 177.300 0.046 0.000 1.145 156 P CA 0.959 64.083 63.100 0.040 0.000 0.795 156 P CB -0.178 31.554 31.700 0.052 0.000 0.775 157 N N -0.645 118.083 118.700 0.046 0.000 2.521 157 N HA -0.069 4.693 4.740 0.036 0.000 0.188 157 N C 0.685 176.235 175.510 0.067 0.000 1.146 157 N CA -0.210 52.869 53.050 0.049 0.000 0.893 157 N CB -0.271 38.239 38.487 0.039 0.000 0.975 157 N HN -0.012 nan 8.380 nan 0.000 0.451 158 K N 1.634 122.087 120.400 0.088 0.000 2.292 158 K HA 0.267 4.609 4.320 0.036 0.000 0.290 158 K C -0.856 175.851 176.600 0.179 0.000 1.083 158 K CA -0.235 56.132 56.287 0.134 0.000 0.918 158 K CB 0.552 33.146 32.500 0.158 0.000 1.089 158 K HN 0.180 nan 8.250 nan 0.000 0.473 159 I N 3.583 124.254 120.570 0.169 0.000 2.315 159 I HA 0.142 4.334 4.170 0.036 0.000 0.291 159 I C -0.132 176.157 176.117 0.288 0.000 1.006 159 I CA -0.429 60.999 61.300 0.214 0.000 1.265 159 I CB 1.792 39.857 38.000 0.108 0.000 1.387 159 I HN 0.478 nan 8.210 nan 0.000 0.475 160 T N 7.529 122.343 114.554 0.434 0.000 2.772 160 T HA 0.335 4.707 4.350 0.036 0.000 0.288 160 T C -2.442 172.521 174.700 0.439 0.000 0.994 160 T CA -1.411 60.970 62.100 0.468 0.000 0.951 160 T CB 1.348 70.605 68.868 0.648 0.000 0.933 160 T HN 0.243 nan 8.240 nan 0.000 0.447 161 P HA 0.223 nan 4.420 nan 0.000 0.269 161 P C -0.605 176.935 177.300 0.400 0.000 1.209 161 P CA -0.393 62.896 63.100 0.316 0.000 0.776 161 P CB 0.512 32.312 31.700 0.166 0.000 0.876 162 V N 0.154 120.241 119.914 0.289 0.000 3.040 162 V HA 0.743 4.885 4.120 0.036 0.000 0.312 162 V C -1.283 174.954 176.094 0.238 0.000 1.115 162 V CA -0.946 61.422 62.300 0.113 0.000 0.998 162 V CB 2.224 33.899 31.823 -0.246 0.000 1.042 162 V HN 0.317 nan 8.190 nan 0.000 0.433 163 F N 2.375 122.302 119.950 -0.038 0.000 2.539 163 F HA 0.846 5.393 4.527 0.033 0.000 0.318 163 F C -0.912 174.788 175.800 -0.167 0.000 1.135 163 F CA -0.888 57.026 58.000 -0.144 0.000 0.915 163 F CB 1.942 40.883 39.000 -0.099 0.000 1.176 163 F HN 0.527 nan 8.300 nan 0.000 0.440 164 V N 6.646 126.103 119.914 -0.761 0.000 2.604 164 V HA 0.577 4.719 4.120 0.036 0.000 0.305 164 V C -0.713 174.708 176.094 -1.121 0.000 1.043 164 V CA -0.854 60.926 62.300 -0.867 0.000 0.888 164 V CB 2.027 33.254 31.823 -0.993 0.000 0.995 164 V HN 0.736 nan 8.190 nan 0.000 0.429 165 R N 3.615 123.448 120.500 -1.110 0.000 2.439 165 R HA 0.602 4.964 4.340 0.036 0.000 0.310 165 R C -1.591 174.119 176.300 -0.983 0.000 0.955 165 R CA -0.425 55.128 56.100 -0.912 0.000 0.853 165 R CB 1.105 31.041 30.300 -0.606 0.000 1.171 165 R HN 0.549 nan 8.270 nan 0.000 0.449 166 F N 1.930 121.463 119.950 -0.696 0.000 2.399 166 F HA 0.489 5.038 4.527 0.037 0.000 0.328 166 F C 0.505 175.963 175.800 -0.570 0.000 1.084 166 F CA -0.187 57.291 58.000 -0.871 0.000 1.053 166 F CB 2.078 40.061 39.000 -1.694 0.000 1.209 166 F HN 0.583 nan 8.300 nan 0.000 0.502 167 S N -0.943 114.696 115.700 -0.102 0.000 2.565 167 S HA 0.600 5.091 4.470 0.036 0.000 0.269 167 S C -0.534 174.212 174.600 0.244 0.000 1.153 167 S CA -0.888 57.393 58.200 0.135 0.000 0.835 167 S CB 1.316 64.641 63.200 0.208 0.000 1.122 167 S HN 0.737 nan 8.310 nan 0.000 0.462 168 T N -1.082 113.612 114.554 0.233 0.000 2.865 168 T HA 0.657 5.029 4.350 0.036 0.000 0.302 168 T C 0.826 175.501 174.700 -0.041 0.000 1.078 168 T CA 0.021 62.214 62.100 0.155 0.000 0.942 168 T CB 0.145 69.107 68.868 0.157 0.000 1.387 168 T HN 0.673 nan 8.240 nan 0.000 0.557 169 V N -0.313 119.537 119.914 -0.106 0.000 3.029 169 V HA 0.138 4.280 4.120 0.036 0.000 0.230 169 V C 2.699 178.727 176.094 -0.111 0.000 1.254 169 V CA 0.244 62.355 62.300 -0.315 0.000 1.276 169 V CB -0.179 31.525 31.823 -0.199 0.000 1.080 169 V HN 0.849 nan 8.190 nan 0.000 0.495 170 Q N 1.161 120.930 119.800 -0.052 0.000 2.062 170 Q HA 0.064 4.426 4.340 0.036 0.000 0.196 170 Q C 1.287 177.266 176.000 -0.035 0.000 0.967 170 Q CA 1.421 57.190 55.803 -0.056 0.000 0.832 170 Q CB -0.280 28.409 28.738 -0.082 0.000 0.899 170 Q HN 0.584 nan 8.270 nan 0.000 0.442 171 G N -0.072 108.721 108.800 -0.013 0.000 2.594 171 G HA2 0.370 4.352 3.960 0.036 0.000 0.243 171 G HA3 0.370 4.352 3.960 0.036 0.000 0.243 171 G C 0.189 175.097 174.900 0.014 0.000 1.229 171 G CA 0.080 45.176 45.100 -0.006 0.000 0.843 171 G HN 0.342 nan 8.290 nan 0.000 0.578 172 G N -0.926 107.877 108.800 0.005 0.000 0.000 172 G HA2 0.467 4.449 3.960 0.036 0.000 0.000 172 G HA3 0.467 4.449 3.960 0.036 0.000 0.000 172 G C 1.358 176.288 174.900 0.050 0.000 0.000 172 G CA 0.428 45.542 45.100 0.023 0.000 0.000 172 G HN 1.083 nan 8.290 nan 0.000 0.000 173 A N -0.945 121.914 122.820 0.065 0.000 2.070 173 A HA 0.146 4.488 4.320 0.036 0.000 0.220 173 A C 2.193 179.814 177.584 0.062 0.000 1.159 173 A CA 1.928 54.022 52.037 0.095 0.000 0.656 173 A CB -0.358 18.715 19.000 0.122 0.000 0.800 173 A HN 1.113 nan 8.150 nan 0.000 0.453 174 G N -0.155 108.663 108.800 0.030 0.000 3.371 174 G HA2 0.343 4.325 3.960 0.036 0.000 0.248 174 G HA3 0.343 4.325 3.960 0.036 0.000 0.248 174 G C 0.659 175.560 174.900 0.000 0.000 1.161 174 G CA 0.643 45.745 45.100 0.004 0.000 0.796 174 G HN 0.638 nan 8.290 nan 0.000 0.539 175 S N -0.293 115.415 115.700 0.015 0.000 2.686 175 S HA 0.773 5.265 4.470 0.036 0.000 0.270 175 S C 0.386 174.997 174.600 0.019 0.000 1.194 175 S CA -0.130 58.075 58.200 0.008 0.000 0.990 175 S CB 1.657 64.863 63.200 0.010 0.000 1.029 175 S HN 0.533 nan 8.310 nan 0.000 0.560 176 A N -0.061 122.766 122.820 0.011 0.000 2.279 176 A HA 0.507 4.849 4.320 0.036 0.000 0.303 176 A C 0.442 178.041 177.584 0.025 0.000 1.108 176 A CA -0.613 51.426 52.037 0.003 0.000 0.830 176 A CB 0.115 19.099 19.000 -0.026 0.000 1.106 176 A HN 0.850 nan 8.150 nan 0.000 0.493 177 D N 0.243 120.643 120.400 0.001 0.000 2.197 177 D HA -0.040 4.622 4.640 0.036 0.000 0.212 177 D C 1.644 177.908 176.300 -0.061 0.000 0.963 177 D CA 2.190 56.201 54.000 0.019 0.000 0.864 177 D CB -0.161 40.609 40.800 -0.050 0.000 1.009 177 D HN 0.663 nan 8.370 nan 0.000 0.479 178 T N 0.096 114.536 114.554 -0.191 0.000 3.406 178 T HA 0.253 4.625 4.350 0.036 0.000 0.244 178 T C 0.857 175.530 174.700 -0.045 0.000 0.949 178 T CA -0.533 61.446 62.100 -0.202 0.000 0.926 178 T CB -1.076 67.605 68.868 -0.312 0.000 1.089 178 T HN -0.087 nan 8.240 nan 0.000 0.604 179 V N -1.272 118.670 119.914 0.046 0.000 3.319 179 V HA 0.427 4.569 4.120 0.036 0.000 0.303 179 V C 0.733 176.968 176.094 0.234 0.000 1.094 179 V CA -1.444 60.936 62.300 0.133 0.000 1.106 179 V CB 0.401 32.293 31.823 0.116 0.000 1.099 179 V HN 0.558 nan 8.190 nan 0.000 0.476 180 R N 1.654 122.361 120.500 0.345 0.000 2.248 180 R HA 0.447 4.809 4.340 0.036 0.000 0.328 180 R C -1.006 175.379 176.300 0.143 0.000 1.067 180 R CA -0.040 56.211 56.100 0.252 0.000 0.924 180 R CB 0.054 30.440 30.300 0.142 0.000 1.013 180 R HN 1.048 nan 8.270 nan 0.000 0.454 181 D N 3.461 123.955 120.400 0.157 0.000 2.653 181 D HA 0.190 4.852 4.640 0.036 0.000 0.258 181 D C -0.535 175.879 176.300 0.190 0.000 1.252 181 D CA -0.637 53.446 54.000 0.137 0.000 0.777 181 D CB 1.251 42.121 40.800 0.117 0.000 1.339 181 D HN 0.228 nan 8.370 nan 0.000 0.422 182 I N 1.464 122.163 120.570 0.215 0.000 2.836 182 I HA 0.191 4.383 4.170 0.036 0.000 0.285 182 I C 0.903 177.157 176.117 0.228 0.000 1.174 182 I CA 0.044 61.483 61.300 0.231 0.000 1.405 182 I CB -0.098 38.067 38.000 0.276 0.000 1.385 182 I HN 0.241 nan 8.210 nan 0.000 0.594 183 R N 2.943 123.602 120.500 0.265 0.000 2.589 183 R HA 0.582 4.944 4.340 0.036 0.000 0.293 183 R C -0.028 176.466 176.300 0.323 0.000 0.963 183 R CA -0.751 55.523 56.100 0.290 0.000 0.905 183 R CB 1.537 32.032 30.300 0.326 0.000 1.144 183 R HN 0.811 nan 8.270 nan 0.000 0.459 184 G N 0.853 109.866 108.800 0.354 0.000 2.448 184 G HA2 0.492 4.474 3.960 0.036 0.000 0.285 184 G HA3 0.492 4.474 3.960 0.036 0.000 0.285 184 G C -1.301 173.697 174.900 0.164 0.000 1.176 184 G CA -0.055 45.234 45.100 0.314 0.000 0.852 184 G HN 0.350 nan 8.290 nan 0.000 0.530 185 F N 1.651 121.517 119.950 -0.140 0.000 3.034 185 F HA 0.633 5.180 4.527 0.034 0.000 0.371 185 F C -0.315 175.197 175.800 -0.479 0.000 1.233 185 F CA -1.863 55.951 58.000 -0.310 0.000 1.134 185 F CB 1.046 39.985 39.000 -0.102 0.000 1.495 185 F HN 0.672 nan 8.300 nan 0.000 0.563 186 A N 3.587 126.140 122.820 -0.445 0.000 2.303 186 A HA 0.786 5.128 4.320 0.036 0.000 0.320 186 A C -0.609 176.521 177.584 -0.755 0.000 1.192 186 A CA -0.425 51.164 52.037 -0.746 0.000 0.821 186 A CB 0.836 19.000 19.000 -1.393 0.000 1.188 186 A HN 0.560 nan 8.150 nan 0.000 0.492 187 T N 2.321 116.600 114.554 -0.459 0.000 2.812 187 T HA 0.391 4.763 4.350 0.036 0.000 0.282 187 T C -0.382 174.131 174.700 -0.311 0.000 0.990 187 T CA -0.486 61.349 62.100 -0.443 0.000 0.960 187 T CB 1.105 69.630 68.868 -0.572 0.000 0.948 187 T HN 0.640 nan 8.240 nan 0.000 0.438 188 K N 3.535 123.834 120.400 -0.168 0.000 2.263 188 K HA 0.442 4.784 4.320 0.036 0.000 0.272 188 K C -1.265 175.008 176.600 -0.545 0.000 1.033 188 K CA -0.576 55.514 56.287 -0.328 0.000 0.884 188 K CB 0.341 32.581 32.500 -0.432 0.000 1.107 188 K HN 0.400 nan 8.250 nan 0.000 0.460 189 F N 4.362 124.024 119.950 -0.480 0.000 2.391 189 F HA 0.228 4.775 4.527 0.033 0.000 0.359 189 F C -0.398 175.201 175.800 -0.334 0.000 1.122 189 F CA -0.567 57.218 58.000 -0.358 0.000 1.120 189 F CB 0.662 39.353 39.000 -0.514 0.000 1.142 189 F HN 0.451 nan 8.300 nan 0.000 0.483 190 Y N 1.927 122.286 120.300 0.098 0.000 2.632 190 Y HA 0.208 4.781 4.550 0.039 0.000 0.336 190 Y C 1.062 177.023 175.900 0.102 0.000 1.237 190 Y CA -0.860 57.282 58.100 0.071 0.000 1.595 190 Y CB -0.311 38.180 38.460 0.052 0.000 1.508 190 Y HN 0.531 nan 8.280 nan 0.000 0.480 191 T N -2.451 112.208 114.554 0.174 0.000 2.847 191 T HA 0.172 4.544 4.350 0.036 0.000 0.279 191 T C 0.957 175.757 174.700 0.167 0.000 0.984 191 T CA -0.748 61.458 62.100 0.176 0.000 0.988 191 T CB 1.097 70.043 68.868 0.129 0.000 1.040 191 T HN 0.643 nan 8.240 nan 0.000 0.528 192 E N -0.035 120.267 120.200 0.169 0.000 2.478 192 E HA -0.036 4.336 4.350 0.036 0.000 0.198 192 E C 1.034 177.704 176.600 0.116 0.000 1.046 192 E CA 0.637 57.117 56.400 0.133 0.000 0.870 192 E CB 0.116 29.890 29.700 0.124 0.000 0.818 192 E HN 0.723 nan 8.360 nan 0.000 0.527 193 E N 0.084 120.356 120.200 0.120 0.000 2.624 193 E HA 0.247 4.619 4.350 0.036 0.000 0.210 193 E C 0.107 176.759 176.600 0.088 0.000 0.997 193 E CA -0.232 56.230 56.400 0.103 0.000 0.999 193 E CB 1.344 31.107 29.700 0.105 0.000 1.040 193 E HN 0.180 nan 8.360 nan 0.000 0.469 194 G N 1.163 110.011 108.800 0.080 0.000 2.362 194 G HA2 -0.092 3.890 3.960 0.036 0.000 0.656 194 G HA3 -0.092 3.890 3.960 0.036 0.000 0.656 194 G C -0.890 174.026 174.900 0.027 0.000 1.376 194 G CA -1.122 44.003 45.100 0.042 0.000 0.971 194 G HN 0.015 nan 8.290 nan 0.000 0.636 195 I N 0.765 121.316 120.570 -0.033 0.000 2.598 195 I HA 0.304 4.495 4.170 0.036 0.000 0.284 195 I C 0.057 176.193 176.117 0.031 0.000 1.140 195 I CA 0.218 61.470 61.300 -0.080 0.000 1.420 195 I CB 0.546 38.428 38.000 -0.196 0.000 1.387 195 I HN 0.454 nan 8.210 nan 0.000 0.553 196 F N 6.979 126.835 119.950 -0.157 0.000 2.427 196 F HA 0.432 4.980 4.527 0.035 0.000 0.348 196 F C -0.544 175.228 175.800 -0.047 0.000 1.125 196 F CA -1.305 56.604 58.000 -0.153 0.000 0.989 196 F CB 0.706 39.474 39.000 -0.386 0.000 1.165 196 F HN 0.343 nan 8.300 nan 0.000 0.442 197 D N 6.661 126.877 120.400 -0.307 0.000 2.274 197 D HA 0.235 4.897 4.640 0.036 0.000 0.239 197 D C -0.882 174.957 176.300 -0.768 0.000 1.104 197 D CA -0.104 53.649 54.000 -0.411 0.000 0.840 197 D CB 2.090 42.839 40.800 -0.084 0.000 1.100 197 D HN 0.480 nan 8.370 nan 0.000 0.477 198 L N 3.980 124.697 121.223 -0.843 0.000 2.264 198 L HA 0.267 4.629 4.340 0.036 0.000 0.287 198 L C -1.011 175.628 176.870 -0.385 0.000 1.039 198 L CA -0.602 53.821 54.840 -0.694 0.000 0.829 198 L CB 1.145 42.806 42.059 -0.662 0.000 1.211 198 L HN 0.078 nan 8.230 nan 0.000 0.427 199 V N 6.152 125.880 119.914 -0.311 0.000 2.259 199 V HA 0.699 4.840 4.120 0.036 0.000 0.267 199 V C 0.780 176.768 176.094 -0.177 0.000 1.051 199 V CA -0.099 62.029 62.300 -0.287 0.000 0.830 199 V CB 0.336 31.946 31.823 -0.355 0.000 1.080 199 V HN 0.863 nan 8.190 nan 0.000 0.467 200 G N 3.179 111.890 108.800 -0.147 0.000 2.820 200 G HA2 0.668 4.650 3.960 0.036 0.000 0.291 200 G HA3 0.668 4.650 3.960 0.036 0.000 0.291 200 G C -0.844 174.085 174.900 0.048 0.000 1.323 200 G CA -0.571 44.502 45.100 -0.046 0.000 1.055 200 G HN 0.478 nan 8.290 nan 0.000 0.520 201 N N -1.136 117.639 118.700 0.124 0.000 2.966 201 N HA 0.244 5.005 4.740 0.036 0.000 0.314 201 N C 0.413 176.114 175.510 0.318 0.000 1.397 201 N CA -0.739 52.446 53.050 0.226 0.000 0.776 201 N CB 1.306 39.910 38.487 0.195 0.000 1.576 201 N HN 0.522 nan 8.380 nan 0.000 0.592 202 N N -1.290 117.612 118.700 0.336 0.000 2.314 202 N HA -0.002 4.759 4.740 0.036 0.000 0.200 202 N C -0.447 175.331 175.510 0.446 0.000 1.135 202 N CA -0.065 53.242 53.050 0.428 0.000 0.835 202 N CB -0.163 38.552 38.487 0.380 0.000 0.989 202 N HN 0.545 nan 8.380 nan 0.000 0.478 203 T N -3.741 110.883 114.554 0.116 0.000 2.906 203 T HA 0.469 4.841 4.350 0.036 0.000 0.295 203 T C -2.596 171.455 174.700 -1.081 0.000 1.075 203 T CA -1.632 60.086 62.100 -0.637 0.000 1.005 203 T CB 2.898 71.307 68.868 -0.764 0.000 1.136 203 T HN -0.234 nan 8.240 nan 0.000 0.498 204 P HA 0.213 nan 4.420 nan 0.000 0.249 204 P C 0.346 177.128 177.300 -0.865 0.000 1.229 204 P CA 0.049 62.259 63.100 -1.483 0.000 0.788 204 P CB -0.081 30.680 31.700 -1.565 0.000 1.072 205 I N -4.504 115.533 120.570 -0.889 0.000 3.264 205 I HA 0.547 4.739 4.170 0.036 0.000 0.315 205 I C -1.403 174.451 176.117 -0.438 0.000 1.154 205 I CA -1.954 58.975 61.300 -0.619 0.000 0.962 205 I CB 1.425 39.015 38.000 -0.683 0.000 1.265 205 I HN -0.248 nan 8.210 nan 0.000 0.463 206 F N 0.407 120.076 119.950 -0.469 0.000 2.613 206 F HA 0.513 5.067 4.527 0.045 0.000 0.342 206 F C 0.432 175.988 175.800 -0.408 0.000 1.066 206 F CA -0.712 57.047 58.000 -0.402 0.000 1.002 206 F CB 1.848 40.746 39.000 -0.171 0.000 1.319 206 F HN 0.386 nan 8.300 nan 0.000 0.495 207 F N 1.998 121.142 119.950 -1.344 0.000 2.325 207 F HA 0.056 4.603 4.527 0.032 0.000 0.299 207 F C 0.651 176.156 175.800 -0.491 0.000 1.090 207 F CA 0.730 58.140 58.000 -0.983 0.000 1.392 207 F CB -0.090 37.922 39.000 -1.647 0.000 1.053 207 F HN 0.124 nan 8.300 nan 0.000 0.521 208 I N -3.316 117.238 120.570 -0.026 0.000 3.002 208 I HA 0.363 4.555 4.170 0.036 0.000 0.310 208 I C 0.316 176.592 176.117 0.264 0.000 1.087 208 I CA -0.841 60.561 61.300 0.170 0.000 1.017 208 I CB 1.925 40.091 38.000 0.277 0.000 1.226 208 I HN -0.151 nan 8.210 nan 0.000 0.443 209 Q N 0.379 120.329 119.800 0.250 0.000 2.259 209 Q HA 0.149 4.510 4.340 0.036 0.000 0.201 209 Q C -0.322 175.853 176.000 0.293 0.000 0.938 209 Q CA 0.579 56.567 55.803 0.308 0.000 0.872 209 Q CB 0.493 29.483 28.738 0.420 0.000 0.971 209 Q HN 0.653 nan 8.270 nan 0.000 0.494 210 D N -0.931 119.615 120.400 0.244 0.000 2.505 210 D HA 0.312 4.974 4.640 0.036 0.000 0.249 210 D C 0.104 176.533 176.300 0.214 0.000 1.082 210 D CA -0.233 53.879 54.000 0.187 0.000 0.839 210 D CB 1.823 42.705 40.800 0.137 0.000 1.317 210 D HN 0.035 nan 8.370 nan 0.000 0.497 211 A N 3.430 126.346 122.820 0.159 0.000 2.032 211 A HA -0.266 4.076 4.320 0.036 0.000 0.221 211 A C 1.806 179.514 177.584 0.206 0.000 1.165 211 A CA 1.916 54.044 52.037 0.151 0.000 0.645 211 A CB -0.835 18.198 19.000 0.054 0.000 0.807 211 A HN 0.824 nan 8.150 nan 0.000 0.453 212 H N -0.120 119.013 119.070 0.105 0.000 2.456 212 H HA -0.001 4.580 4.556 0.041 0.000 0.296 212 H C 1.548 176.957 175.328 0.136 0.000 1.079 212 H CA 1.857 57.959 56.048 0.090 0.000 1.322 212 H CB 0.028 29.817 29.762 0.046 0.000 1.388 212 H HN 0.432 nan 8.280 nan 0.000 0.538 213 K N -0.606 119.916 120.400 0.203 0.000 2.404 213 K HA -0.028 4.314 4.320 0.036 0.000 0.194 213 K C 1.274 178.014 176.600 0.234 0.000 1.023 213 K CA -0.036 56.369 56.287 0.197 0.000 1.094 213 K CB 0.085 32.755 32.500 0.283 0.000 0.841 213 K HN 0.292 nan 8.250 nan 0.000 0.523 214 F N 2.779 122.785 119.950 0.094 0.000 2.126 214 F HA -0.125 4.407 4.527 0.010 0.000 0.299 214 F C -1.046 174.776 175.800 0.038 0.000 1.096 214 F CA 1.202 59.289 58.000 0.145 0.000 1.255 214 F CB -0.299 38.768 39.000 0.112 0.000 0.997 214 F HN 0.016 nan 8.300 nan 0.000 0.479 215 P HA -0.116 nan 4.420 nan 0.000 0.219 215 P C 0.985 177.961 177.300 -0.539 0.000 1.150 215 P CA 1.548 64.410 63.100 -0.396 0.000 0.814 215 P CB -0.026 31.456 31.700 -0.362 0.000 0.787 216 D N -1.082 119.151 120.400 -0.278 0.000 2.084 216 D HA -0.170 4.492 4.640 0.036 0.000 0.194 216 D C 1.798 177.815 176.300 -0.471 0.000 0.990 216 D CA 1.130 55.007 54.000 -0.206 0.000 0.826 216 D CB -0.923 39.934 40.800 0.095 0.000 0.971 216 D HN 0.162 nan 8.370 nan 0.000 0.453 217 F N 1.738 121.291 119.950 -0.660 0.000 2.095 217 F HA -0.228 4.315 4.527 0.026 0.000 0.298 217 F C 2.270 177.687 175.800 -0.639 0.000 1.104 217 F CA 1.146 58.551 58.000 -0.992 0.000 1.232 217 F CB -0.119 38.548 39.000 -0.555 0.000 0.987 217 F HN -0.243 nan 8.300 nan 0.000 0.475 218 V N 0.181 119.658 119.914 -0.728 0.000 2.358 218 V HA -0.324 3.818 4.120 0.036 0.000 0.246 218 V C 2.244 178.106 176.094 -0.387 0.000 1.047 218 V CA 2.403 64.315 62.300 -0.645 0.000 1.035 218 V CB -1.003 30.474 31.823 -0.576 0.000 0.658 218 V HN 0.465 nan 8.190 nan 0.000 0.452 219 H N -0.366 118.470 119.070 -0.390 0.000 2.421 219 H HA -0.118 4.460 4.556 0.038 0.000 0.298 219 H C 2.303 177.478 175.328 -0.255 0.000 1.087 219 H CA 0.986 56.886 56.048 -0.246 0.000 1.330 219 H CB 0.083 29.750 29.762 -0.158 0.000 1.388 219 H HN 0.487 nan 8.280 nan 0.000 0.526 220 A N 0.379 123.019 122.820 -0.300 0.000 1.930 220 A HA -0.104 4.238 4.320 0.036 0.000 0.217 220 A C 2.502 179.931 177.584 -0.259 0.000 1.175 220 A CA 1.250 53.106 52.037 -0.302 0.000 0.627 220 A CB -0.671 18.015 19.000 -0.523 0.000 0.815 220 A HN 0.293 nan 8.150 nan 0.000 0.443 221 V N -0.152 119.479 119.914 -0.472 0.000 2.591 221 V HA -0.019 4.123 4.120 0.036 0.000 0.249 221 V C 1.025 177.082 176.094 -0.063 0.000 1.053 221 V CA 0.953 63.050 62.300 -0.338 0.000 1.068 221 V CB -0.439 30.985 31.823 -0.664 0.000 0.689 221 V HN 0.347 nan 8.190 nan 0.000 0.462 222 K N 0.795 121.120 120.400 -0.125 0.000 2.156 222 K HA 0.214 4.556 4.320 0.036 0.000 0.242 222 K C -2.270 174.274 176.600 -0.093 0.000 1.033 222 K CA -1.538 54.691 56.287 -0.097 0.000 0.878 222 K CB -0.363 32.073 32.500 -0.107 0.000 1.057 222 K HN 0.169 nan 8.250 nan 0.000 0.505 223 P HA 0.014 nan 4.420 nan 0.000 0.268 223 P C -0.529 176.707 177.300 -0.106 0.000 1.205 223 P CA 0.307 63.267 63.100 -0.233 0.000 0.771 223 P CB 0.410 31.980 31.700 -0.218 0.000 0.858 224 E N 4.550 124.736 120.200 -0.024 0.000 2.383 224 E HA 0.022 4.394 4.350 0.036 0.000 0.264 224 E C -1.307 175.366 176.600 0.122 0.000 1.050 224 E CA -1.372 55.120 56.400 0.154 0.000 0.896 224 E CB 0.204 30.131 29.700 0.377 0.000 0.982 224 E HN 0.414 nan 8.360 nan 0.000 0.424 225 P HA -0.174 nan 4.420 nan 0.000 0.225 225 P C 0.981 178.344 177.300 0.105 0.000 1.156 225 P CA 1.257 64.396 63.100 0.063 0.000 0.787 225 P CB 0.062 31.780 31.700 0.030 0.000 0.802 226 H N -0.742 118.375 119.070 0.078 0.000 2.326 226 H HA -0.077 4.500 4.556 0.035 0.000 0.301 226 H C 1.392 176.826 175.328 0.178 0.000 1.081 226 H CA 1.440 57.523 56.048 0.058 0.000 1.334 226 H CB -1.259 28.470 29.762 -0.054 0.000 1.385 226 H HN 0.301 nan 8.280 nan 0.000 0.504 227 W N -0.161 120.752 121.300 -0.644 0.000 2.714 227 W HA 0.699 5.379 4.660 0.034 0.000 0.353 227 W C 0.459 176.808 176.519 -0.283 0.000 0.999 227 W CA -1.071 56.036 57.345 -0.397 0.000 1.629 227 W CB -0.706 28.488 29.460 -0.443 0.000 1.106 227 W HN 0.430 nan 8.180 nan 0.000 0.545 228 A N 1.299 124.075 122.820 -0.074 0.000 2.739 228 A HA -0.154 4.188 4.320 0.036 0.000 0.296 228 A C -0.412 176.927 177.584 -0.410 0.000 1.488 228 A CA 1.428 53.350 52.037 -0.190 0.000 0.746 228 A CB -2.393 16.525 19.000 -0.137 0.000 1.047 228 A HN 0.461 nan 8.150 nan 0.000 0.477 229 I N 0.519 120.692 120.570 -0.661 0.000 2.647 229 I HA 0.568 4.760 4.170 0.036 0.000 0.295 229 I C -2.451 173.349 176.117 -0.528 0.000 1.078 229 I CA -2.361 58.453 61.300 -0.810 0.000 1.048 229 I CB 2.990 39.991 38.000 -1.666 0.000 1.239 229 I HN 0.218 nan 8.210 nan 0.000 0.421 230 P HA 0.319 nan 4.420 nan 0.000 0.292 230 P C -1.663 175.470 177.300 -0.278 0.000 1.308 230 P CA -0.881 61.998 63.100 -0.369 0.000 0.933 230 P CB 1.817 33.373 31.700 -0.239 0.000 1.217 231 Q N 0.579 120.263 119.800 -0.193 0.000 2.279 231 Q HA 0.492 4.854 4.340 0.036 0.000 0.256 231 Q C 1.058 177.014 176.000 -0.072 0.000 0.937 231 Q CA 0.965 56.690 55.803 -0.130 0.000 0.933 231 Q CB -0.332 28.340 28.738 -0.110 0.000 1.189 231 Q HN 0.820 nan 8.270 nan 0.000 0.417 232 G N 3.333 112.101 108.800 -0.054 0.000 2.179 232 G HA2 -0.284 3.698 3.960 0.036 0.000 0.257 232 G HA3 -0.284 3.698 3.960 0.036 0.000 0.257 232 G C -0.397 174.514 174.900 0.019 0.000 1.010 232 G CA 0.526 45.620 45.100 -0.009 0.000 0.736 232 G HN 0.546 nan 8.290 nan 0.000 0.513 233 Q N -1.002 118.795 119.800 -0.005 0.000 2.345 233 Q HA 0.576 4.938 4.340 0.036 0.000 0.275 233 Q C 0.786 176.788 176.000 0.003 0.000 1.063 233 Q CA -0.176 55.653 55.803 0.042 0.000 0.819 233 Q CB 1.824 30.634 28.738 0.120 0.000 1.356 233 Q HN 0.443 nan 8.270 nan 0.000 0.418 234 S N -0.548 115.055 115.700 -0.161 0.000 2.575 234 S HA 0.194 4.686 4.470 0.036 0.000 0.215 234 S C 0.887 175.397 174.600 -0.151 0.000 0.966 234 S CA 0.025 57.890 58.200 -0.559 0.000 0.911 234 S CB 0.305 62.649 63.200 -1.427 0.000 0.780 234 S HN 0.593 nan 8.310 nan 0.000 0.514 235 A N 2.267 125.217 122.820 0.216 0.000 3.091 235 A HA 0.543 4.885 4.320 0.036 0.000 0.264 235 A C 0.062 177.884 177.584 0.396 0.000 1.673 235 A CA -0.648 51.605 52.037 0.360 0.000 1.362 235 A CB -1.155 18.012 19.000 0.279 0.000 1.137 235 A HN 0.882 nan 8.150 nan 0.000 0.617 236 H N -3.726 115.531 119.070 0.311 0.000 3.042 236 H HA 0.513 5.089 4.556 0.034 0.000 0.346 236 H C -0.281 175.240 175.328 0.321 0.000 1.294 236 H CA -0.743 55.460 56.048 0.259 0.000 1.141 236 H CB 0.355 30.227 29.762 0.183 0.000 1.872 236 H HN 0.059 nan 8.280 nan 0.000 0.541 237 D N 0.330 120.893 120.400 0.272 0.000 2.116 237 D HA -0.209 4.453 4.640 0.036 0.000 0.193 237 D C 2.102 178.462 176.300 0.100 0.000 0.998 237 D CA 3.116 57.218 54.000 0.170 0.000 0.836 237 D CB -0.316 40.562 40.800 0.131 0.000 0.951 237 D HN 0.794 nan 8.370 nan 0.000 0.449 238 T N -1.752 112.857 114.554 0.092 0.000 2.867 238 T HA -0.183 4.188 4.350 0.036 0.000 0.268 238 T C 1.888 176.535 174.700 -0.089 0.000 1.057 238 T CA 0.618 62.741 62.100 0.038 0.000 1.136 238 T CB -0.645 68.293 68.868 0.117 0.000 0.874 238 T HN 0.168 nan 8.240 nan 0.000 0.466 239 F N 0.660 120.310 119.950 -0.500 0.000 2.113 239 F HA 0.121 4.667 4.527 0.032 0.000 0.297 239 F C 1.849 177.386 175.800 -0.438 0.000 1.103 239 F CA 0.593 58.222 58.000 -0.618 0.000 1.248 239 F CB -0.546 37.886 39.000 -0.946 0.000 0.999 239 F HN 0.138 nan 8.300 nan 0.000 0.475 240 W N 0.627 121.869 121.300 -0.097 0.000 2.467 240 W HA -0.095 4.591 4.660 0.043 0.000 0.275 240 W C 2.291 178.735 176.519 -0.125 0.000 1.239 240 W CA 0.974 58.246 57.345 -0.122 0.000 1.266 240 W CB -0.549 28.919 29.460 0.014 0.000 1.112 240 W HN 0.077 nan 8.180 nan 0.000 0.576 241 D N -0.586 119.861 120.400 0.078 0.000 2.084 241 D HA -0.292 4.370 4.640 0.036 0.000 0.194 241 D C 1.877 178.190 176.300 0.022 0.000 0.990 241 D CA 1.507 55.537 54.000 0.050 0.000 0.826 241 D CB -0.576 40.261 40.800 0.062 0.000 0.971 241 D HN 0.189 nan 8.370 nan 0.000 0.453 242 Y N 0.407 120.611 120.300 -0.160 0.000 2.128 242 Y HA -0.211 4.363 4.550 0.039 0.000 0.284 242 Y C 2.308 178.082 175.900 -0.211 0.000 1.154 242 Y CA 1.595 59.588 58.100 -0.179 0.000 1.149 242 Y CB -0.428 37.889 38.460 -0.238 0.000 0.976 242 Y HN -0.113 nan 8.280 nan 0.000 0.505 243 V N 0.183 119.998 119.914 -0.166 0.000 2.282 243 V HA -0.379 3.763 4.120 0.036 0.000 0.249 243 V C 2.617 178.664 176.094 -0.077 0.000 1.057 243 V CA 2.364 64.545 62.300 -0.199 0.000 1.032 243 V CB -1.317 30.272 31.823 -0.390 0.000 0.645 243 V HN 0.678 nan 8.190 nan 0.000 0.447 244 S N -0.176 115.526 115.700 0.003 0.000 2.442 244 S HA -0.100 4.392 4.470 0.036 0.000 0.236 244 S C 1.692 176.264 174.600 -0.047 0.000 1.007 244 S CA 1.539 59.754 58.200 0.025 0.000 0.965 244 S CB -0.516 62.723 63.200 0.065 0.000 0.773 244 S HN 0.572 nan 8.310 nan 0.000 0.504 245 L N -0.122 121.028 121.223 -0.122 0.000 2.585 245 L HA 0.323 4.685 4.340 0.036 0.000 0.226 245 L C 0.586 177.291 176.870 -0.274 0.000 1.113 245 L CA 0.119 54.858 54.840 -0.168 0.000 0.876 245 L CB 0.010 41.972 42.059 -0.162 0.000 1.072 245 L HN 0.251 nan 8.230 nan 0.000 0.468 246 Q N 0.330 119.927 119.800 -0.338 0.000 3.244 246 Q HA 0.221 4.582 4.340 0.036 0.000 0.249 246 Q C -1.927 173.855 176.000 -0.364 0.000 0.951 246 Q CA -1.371 54.185 55.803 -0.412 0.000 0.740 246 Q CB 1.492 29.869 28.738 -0.602 0.000 1.334 246 Q HN -0.004 nan 8.270 nan 0.000 0.448 247 P HA -0.231 nan 4.420 nan 0.000 0.223 247 P C 0.984 177.975 177.300 -0.515 0.000 1.144 247 P CA 1.151 64.004 63.100 -0.412 0.000 0.783 247 P CB 0.247 31.680 31.700 -0.446 0.000 0.771 248 E N 0.770 120.524 120.200 -0.745 0.000 2.219 248 E HA -0.204 4.168 4.350 0.036 0.000 0.198 248 E C 1.499 178.045 176.600 -0.090 0.000 0.998 248 E CA 1.974 58.190 56.400 -0.306 0.000 0.818 248 E CB -1.418 28.193 29.700 -0.149 0.000 0.741 248 E HN 0.310 nan 8.360 nan 0.000 0.477 249 T N -0.547 113.957 114.554 -0.083 0.000 3.007 249 T HA -0.006 4.366 4.350 0.036 0.000 0.270 249 T C 1.963 176.729 174.700 0.110 0.000 1.107 249 T CA 0.534 62.655 62.100 0.035 0.000 1.118 249 T CB -0.322 68.583 68.868 0.062 0.000 0.889 249 T HN 0.159 nan 8.240 nan 0.000 0.506 250 L N -0.085 121.205 121.223 0.111 0.000 2.141 250 L HA -0.053 4.308 4.340 0.036 0.000 0.209 250 L C 2.840 179.876 176.870 0.277 0.000 1.094 250 L CA 1.620 56.596 54.840 0.228 0.000 0.763 250 L CB -0.722 41.480 42.059 0.238 0.000 0.908 250 L HN 0.492 nan 8.230 nan 0.000 0.437 251 H N 0.065 119.179 119.070 0.074 0.000 2.293 251 H HA -0.197 4.381 4.556 0.037 0.000 0.300 251 H C 2.138 177.456 175.328 -0.017 0.000 1.082 251 H CA 1.764 57.847 56.048 0.058 0.000 1.308 251 H CB 0.260 30.025 29.762 0.006 0.000 1.375 251 H HN 0.355 nan 8.280 nan 0.000 0.495 252 N N -0.085 118.429 118.700 -0.310 0.000 2.244 252 N HA -0.126 4.636 4.740 0.036 0.000 0.183 252 N C 1.980 177.301 175.510 -0.314 0.000 1.016 252 N CA 0.712 53.352 53.050 -0.683 0.000 0.866 252 N CB 0.284 37.861 38.487 -1.516 0.000 0.980 252 N HN 0.118 nan 8.380 nan 0.000 0.430 253 V N 1.871 121.827 119.914 0.070 0.000 2.282 253 V HA -0.291 3.851 4.120 0.036 0.000 0.249 253 V C 2.540 178.768 176.094 0.223 0.000 1.057 253 V CA 1.393 63.899 62.300 0.343 0.000 1.032 253 V CB -0.395 31.684 31.823 0.428 0.000 0.645 253 V HN 0.403 nan 8.190 nan 0.000 0.447 254 M N -1.631 118.128 119.600 0.266 0.000 2.082 254 M HA -0.232 4.270 4.480 0.036 0.000 0.258 254 M C 2.084 178.360 176.300 -0.040 0.000 1.069 254 M CA 2.008 57.452 55.300 0.241 0.000 1.102 254 M CB -1.332 31.429 32.600 0.267 0.000 1.336 254 M HN 0.474 nan 8.290 nan 0.000 0.404 255 W N 0.630 121.646 121.300 -0.473 0.000 2.317 255 W HA -0.176 4.508 4.660 0.041 0.000 0.318 255 W C 2.859 179.313 176.519 -0.108 0.000 1.227 255 W CA 2.119 59.194 57.345 -0.449 0.000 1.269 255 W CB -1.274 27.860 29.460 -0.545 0.000 1.155 255 W HN 0.324 nan 8.180 nan 0.000 0.484 256 A N -0.809 122.094 122.820 0.138 0.000 1.972 256 A HA -0.189 4.153 4.320 0.036 0.000 0.219 256 A C 1.938 179.573 177.584 0.085 0.000 1.169 256 A CA 1.842 53.966 52.037 0.146 0.000 0.635 256 A CB -0.578 18.556 19.000 0.222 0.000 0.810 256 A HN 0.140 nan 8.150 nan 0.000 0.446 257 M N 0.472 120.076 119.600 0.006 0.000 2.506 257 M HA 0.039 4.541 4.480 0.036 0.000 0.260 257 M C 1.437 177.765 176.300 0.047 0.000 1.104 257 M CA 0.711 55.949 55.300 -0.104 0.000 1.112 257 M CB -1.280 30.985 32.600 -0.559 0.000 1.401 257 M HN 0.540 nan 8.290 nan 0.000 0.473 258 S N 0.284 116.072 115.700 0.146 0.000 2.634 258 S HA 0.082 4.574 4.470 0.036 0.000 0.261 258 S C 0.740 175.462 174.600 0.204 0.000 1.271 258 S CA -0.383 57.944 58.200 0.213 0.000 0.985 258 S CB 1.017 64.384 63.200 0.279 0.000 0.968 258 S HN 0.182 nan 8.310 nan 0.000 0.568 259 D N 0.286 120.826 120.400 0.234 0.000 2.378 259 D HA 0.012 4.674 4.640 0.036 0.000 0.222 259 D C 1.894 178.335 176.300 0.234 0.000 0.980 259 D CA 0.354 54.514 54.000 0.267 0.000 0.907 259 D CB -0.163 40.860 40.800 0.372 0.000 0.899 259 D HN 0.399 nan 8.370 nan 0.000 0.527 260 R N 0.221 120.850 120.500 0.215 0.000 2.139 260 R HA -0.090 4.272 4.340 0.036 0.000 0.243 260 R C 2.061 178.517 176.300 0.259 0.000 1.145 260 R CA 1.125 57.379 56.100 0.257 0.000 0.976 260 R CB -0.846 29.668 30.300 0.358 0.000 0.866 260 R HN 0.198 nan 8.270 nan 0.000 0.449 261 G N 1.147 110.087 108.800 0.233 0.000 2.744 261 G HA2 -0.008 3.974 3.960 0.036 0.000 0.211 261 G HA3 -0.008 3.974 3.960 0.036 0.000 0.211 261 G C 0.990 176.034 174.900 0.239 0.000 1.143 261 G CA 0.077 45.309 45.100 0.220 0.000 0.788 261 G HN 0.406 nan 8.290 nan 0.000 0.534 262 I N -1.812 118.909 120.570 0.250 0.000 2.926 262 I HA 0.349 4.541 4.170 0.036 0.000 0.295 262 I C -2.855 173.416 176.117 0.257 0.000 1.463 262 I CA -2.568 58.886 61.300 0.257 0.000 0.892 262 I CB 1.729 39.883 38.000 0.257 0.000 1.874 262 I HN -0.263 nan 8.210 nan 0.000 0.620 263 P HA 0.073 nan 4.420 nan 0.000 0.269 263 P C 0.564 178.011 177.300 0.245 0.000 1.215 263 P CA -0.191 63.021 63.100 0.186 0.000 0.780 263 P CB 1.238 32.979 31.700 0.068 0.000 0.898 264 R N 1.670 122.295 120.500 0.209 0.000 2.115 264 R HA 0.004 4.366 4.340 0.036 0.000 0.230 264 R C 0.335 176.775 176.300 0.233 0.000 1.111 264 R CA 1.396 57.666 56.100 0.282 0.000 0.976 264 R CB -0.438 29.991 30.300 0.215 0.000 0.870 264 R HN 0.539 nan 8.270 nan 0.000 0.445 265 S N -2.433 113.193 115.700 -0.124 0.000 2.556 265 S HA 0.194 4.686 4.470 0.036 0.000 0.280 265 S C -0.384 173.903 174.600 -0.522 0.000 1.141 265 S CA -0.858 57.106 58.200 -0.393 0.000 0.883 265 S CB 0.085 63.191 63.200 -0.156 0.000 1.103 265 S HN 0.114 nan 8.310 nan 0.000 0.453 266 Y N 2.836 122.730 120.300 -0.677 0.000 2.384 266 Y HA -0.012 4.560 4.550 0.038 0.000 0.289 266 Y C 2.344 177.865 175.900 -0.631 0.000 1.152 266 Y CA 1.250 58.835 58.100 -0.858 0.000 1.258 266 Y CB -0.324 37.281 38.460 -1.426 0.000 0.979 266 Y HN 0.589 nan 8.280 nan 0.000 0.549 267 R N -0.606 119.746 120.500 -0.245 0.000 2.235 267 R HA -0.034 4.328 4.340 0.036 0.000 0.213 267 R C 1.097 177.336 176.300 -0.102 0.000 1.059 267 R CA 1.486 57.493 56.100 -0.156 0.000 0.997 267 R CB -0.382 29.830 30.300 -0.146 0.000 0.884 267 R HN 0.342 nan 8.270 nan 0.000 0.462 268 T N -1.782 112.733 114.554 -0.066 0.000 3.308 268 T HA 0.354 4.726 4.350 0.036 0.000 0.270 268 T C 0.182 174.913 174.700 0.052 0.000 0.992 268 T CA -0.671 61.422 62.100 -0.011 0.000 0.931 268 T CB -0.102 68.749 68.868 -0.029 0.000 1.142 268 T HN 0.081 nan 8.240 nan 0.000 0.525 269 M N -1.168 118.503 119.600 0.119 0.000 2.619 269 M HA 0.736 5.238 4.480 0.036 0.000 0.297 269 M C -1.110 175.370 176.300 0.300 0.000 1.229 269 M CA -0.871 54.545 55.300 0.194 0.000 0.860 269 M CB 2.166 34.873 32.600 0.178 0.000 1.741 269 M HN -0.152 nan 8.290 nan 0.000 0.462 270 E N 0.393 120.773 120.200 0.300 0.000 2.345 270 E HA 0.646 5.018 4.350 0.036 0.000 0.259 270 E C -0.324 176.383 176.600 0.178 0.000 1.117 270 E CA -0.495 56.027 56.400 0.204 0.000 0.913 270 E CB 1.657 31.418 29.700 0.102 0.000 1.057 270 E HN 0.855 nan 8.360 nan 0.000 0.432 271 G N 0.659 109.406 108.800 -0.089 0.000 2.519 271 G HA2 0.640 4.622 3.960 0.036 0.000 0.307 271 G HA3 0.640 4.622 3.960 0.036 0.000 0.307 271 G C -1.476 173.045 174.900 -0.632 0.000 1.266 271 G CA -0.477 44.556 45.100 -0.111 0.000 0.970 271 G HN 0.295 nan 8.290 nan 0.000 0.481 272 F N -0.540 119.358 119.950 -0.087 0.000 2.608 272 F HA 0.473 5.020 4.527 0.034 0.000 0.309 272 F C 1.064 176.767 175.800 -0.163 0.000 1.103 272 F CA -0.587 57.273 58.000 -0.233 0.000 0.954 272 F CB 2.561 41.376 39.000 -0.309 0.000 1.267 272 F HN 0.614 nan 8.300 nan 0.000 0.444 273 G N -0.228 108.619 108.800 0.077 0.000 2.776 273 G HA2 0.097 4.079 3.960 0.036 0.000 0.209 273 G HA3 0.097 4.079 3.960 0.036 0.000 0.209 273 G C 0.825 175.790 174.900 0.109 0.000 1.145 273 G CA 0.704 45.910 45.100 0.176 0.000 0.791 273 G HN 1.035 nan 8.290 nan 0.000 0.530 274 C N -1.551 117.704 119.300 -0.074 0.000 5.885 274 C HA -0.171 4.311 4.460 0.036 0.000 0.328 274 C C 0.819 175.538 174.990 -0.452 0.000 2.429 274 C CA 0.801 59.607 59.018 -0.353 0.000 2.193 274 C CB -1.993 25.422 27.740 -0.542 0.000 3.232 274 C HN 0.622 nan 8.230 nan 0.000 0.264 275 H N 0.157 119.256 119.070 0.048 0.000 2.616 275 H HA 0.468 5.045 4.556 0.034 0.000 0.353 275 H C -0.118 175.175 175.328 -0.058 0.000 1.170 275 H CA 0.059 56.049 56.048 -0.097 0.000 1.212 275 H CB 0.785 30.339 29.762 -0.347 0.000 1.653 275 H HN 0.291 nan 8.280 nan 0.000 0.537 276 T N 3.173 117.721 114.554 -0.011 0.000 2.769 276 T HA 0.162 4.534 4.350 0.036 0.000 0.293 276 T C 0.268 174.924 174.700 -0.073 0.000 0.931 276 T CA 0.266 62.343 62.100 -0.038 0.000 1.139 276 T CB -0.511 68.284 68.868 -0.121 0.000 0.881 276 T HN 0.207 nan 8.240 nan 0.000 0.532 277 F N 1.538 121.456 119.950 -0.052 0.000 2.456 277 F HA 0.645 5.191 4.527 0.032 0.000 0.364 277 F C 1.191 176.960 175.800 -0.052 0.000 1.092 277 F CA -1.287 56.710 58.000 -0.005 0.000 1.125 277 F CB 1.162 40.165 39.000 0.004 0.000 1.543 277 F HN 0.193 nan 8.300 nan 0.000 0.504 278 R N 0.426 120.991 120.500 0.109 0.000 2.750 278 R HA 0.602 4.963 4.340 0.036 0.000 0.281 278 R C -1.569 174.620 176.300 -0.185 0.000 0.972 278 R CA -0.865 55.161 56.100 -0.123 0.000 0.912 278 R CB 1.906 32.061 30.300 -0.240 0.000 1.187 278 R HN 0.412 nan 8.270 nan 0.000 0.464 279 L N 3.448 124.511 121.223 -0.266 0.000 2.325 279 L HA 0.511 4.873 4.340 0.036 0.000 0.279 279 L C -0.334 176.379 176.870 -0.261 0.000 1.054 279 L CA -0.860 53.829 54.840 -0.251 0.000 0.804 279 L CB 1.041 42.952 42.059 -0.248 0.000 1.200 279 L HN 0.353 nan 8.230 nan 0.000 0.436 280 I N 2.293 122.732 120.570 -0.217 0.000 2.465 280 I HA 0.306 4.498 4.170 0.036 0.000 0.291 280 I C -0.287 175.743 176.117 -0.144 0.000 1.014 280 I CA -0.715 60.465 61.300 -0.201 0.000 1.093 280 I CB 1.451 39.342 38.000 -0.182 0.000 1.267 280 I HN 0.628 nan 8.210 nan 0.000 0.431 281 N N 4.559 123.188 118.700 -0.118 0.000 2.604 281 N HA 0.458 5.220 4.740 0.036 0.000 0.297 281 N C 0.777 176.246 175.510 -0.068 0.000 1.266 281 N CA -0.390 52.608 53.050 -0.086 0.000 0.961 281 N CB 0.540 38.984 38.487 -0.071 0.000 1.166 281 N HN 0.517 nan 8.380 nan 0.000 0.601 282 A N -0.336 122.453 122.820 -0.053 0.000 1.933 282 A HA -0.138 4.204 4.320 0.036 0.000 0.218 282 A C 1.599 179.162 177.584 -0.036 0.000 1.175 282 A CA 1.492 53.503 52.037 -0.042 0.000 0.628 282 A CB -0.918 18.063 19.000 -0.032 0.000 0.814 282 A HN 0.781 nan 8.150 nan 0.000 0.444 283 E N -1.375 118.805 120.200 -0.033 0.000 2.478 283 E HA 0.243 4.615 4.350 0.036 0.000 0.198 283 E C 1.232 177.821 176.600 -0.018 0.000 1.046 283 E CA 0.799 57.185 56.400 -0.024 0.000 0.870 283 E CB -0.199 29.488 29.700 -0.022 0.000 0.818 283 E HN 0.788 nan 8.360 nan 0.000 0.527 284 G N 1.178 109.964 108.800 -0.023 0.000 2.141 284 G HA2 -0.357 3.625 3.960 0.036 0.000 0.242 284 G HA3 -0.357 3.625 3.960 0.036 0.000 0.242 284 G C 0.215 175.137 174.900 0.038 0.000 0.982 284 G CA 0.263 45.367 45.100 0.006 0.000 0.662 284 G HN 0.283 nan 8.290 nan 0.000 0.527 285 K N 0.688 121.074 120.400 -0.024 0.000 2.298 285 K HA 0.674 5.016 4.320 0.036 0.000 0.280 285 K C 0.530 177.013 176.600 -0.195 0.000 1.032 285 K CA 0.160 56.413 56.287 -0.057 0.000 0.958 285 K CB 0.636 33.099 32.500 -0.061 0.000 0.978 285 K HN 0.612 nan 8.250 nan 0.000 0.472 286 A N 3.322 125.923 122.820 -0.365 0.000 2.305 286 A HA 0.445 4.787 4.320 0.036 0.000 0.322 286 A C -0.799 176.475 177.584 -0.516 0.000 1.187 286 A CA -0.568 51.084 52.037 -0.641 0.000 0.825 286 A CB 1.212 19.393 19.000 -1.365 0.000 1.164 286 A HN 0.737 nan 8.150 nan 0.000 0.498 287 T N 2.181 116.466 114.554 -0.448 0.000 2.841 287 T HA 0.548 4.919 4.350 0.036 0.000 0.283 287 T C -0.648 173.833 174.700 -0.365 0.000 1.000 287 T CA -0.090 61.795 62.100 -0.359 0.000 0.977 287 T CB 0.500 69.248 68.868 -0.200 0.000 0.979 287 T HN 0.335 nan 8.240 nan 0.000 0.446 288 F N 2.000 121.852 119.950 -0.163 0.000 2.429 288 F HA 0.540 5.088 4.527 0.035 0.000 0.348 288 F C 0.540 176.221 175.800 -0.199 0.000 1.109 288 F CA -0.467 57.435 58.000 -0.164 0.000 1.232 288 F CB 0.753 39.682 39.000 -0.118 0.000 1.157 288 F HN 0.192 nan 8.300 nan 0.000 0.564 289 V N 4.677 124.551 119.914 -0.067 0.000 2.888 289 V HA 0.597 4.738 4.120 0.036 0.000 0.309 289 V C -1.005 174.867 176.094 -0.370 0.000 1.114 289 V CA -0.748 61.358 62.300 -0.323 0.000 0.940 289 V CB 2.103 33.506 31.823 -0.700 0.000 1.021 289 V HN 0.770 nan 8.190 nan 0.000 0.426 290 R N 4.534 124.864 120.500 -0.284 0.000 2.637 290 R HA 0.583 4.945 4.340 0.036 0.000 0.291 290 R C -1.622 174.584 176.300 -0.156 0.000 0.963 290 R CA -0.473 55.490 56.100 -0.228 0.000 0.901 290 R CB 2.145 32.435 30.300 -0.016 0.000 1.160 290 R HN 0.588 nan 8.270 nan 0.000 0.457 291 F N 1.681 121.666 119.950 0.059 0.000 2.397 291 F HA 0.404 4.952 4.527 0.034 0.000 0.331 291 F C 0.908 176.639 175.800 -0.116 0.000 1.090 291 F CA -0.107 57.898 58.000 0.008 0.000 1.065 291 F CB 1.000 39.897 39.000 -0.172 0.000 1.184 291 F HN 0.202 nan 8.300 nan 0.000 0.499 292 H N 0.521 119.583 119.070 -0.015 0.000 2.930 292 H HA 0.244 4.823 4.556 0.038 0.000 0.371 292 H C -1.650 173.451 175.328 -0.378 0.000 1.169 292 H CA -1.044 54.884 56.048 -0.199 0.000 1.157 292 H CB 2.076 31.806 29.762 -0.054 0.000 1.789 292 H HN 0.673 nan 8.280 nan 0.000 0.547 293 W N 2.230 123.435 121.300 -0.158 0.000 2.600 293 W HA 0.316 4.996 4.660 0.033 0.000 0.325 293 W C -0.200 176.361 176.519 0.071 0.000 1.034 293 W CA -0.774 56.531 57.345 -0.067 0.000 1.226 293 W CB 1.902 31.143 29.460 -0.365 0.000 1.379 293 W HN 0.268 nan 8.180 nan 0.000 0.466 294 K N 5.826 126.504 120.400 0.463 0.000 2.265 294 K HA 0.392 4.733 4.320 0.036 0.000 0.267 294 K C -2.447 174.368 176.600 0.359 0.000 0.994 294 K CA -1.846 54.638 56.287 0.328 0.000 0.860 294 K CB 1.462 34.100 32.500 0.232 0.000 1.099 294 K HN 0.044 nan 8.250 nan 0.000 0.448 295 P HA 0.059 nan 4.420 nan 0.000 0.282 295 P C 0.390 177.682 177.300 -0.012 0.000 1.274 295 P CA -0.155 62.986 63.100 0.068 0.000 0.770 295 P CB 0.890 32.644 31.700 0.089 0.000 0.867 296 L N 2.729 123.894 121.223 -0.097 0.000 2.376 296 L HA -0.063 4.299 4.340 0.036 0.000 0.219 296 L C 2.181 179.028 176.870 -0.038 0.000 1.133 296 L CA 1.067 55.892 54.840 -0.025 0.000 0.816 296 L CB -0.558 41.496 42.059 -0.008 0.000 0.933 296 L HN 0.351 nan 8.230 nan 0.000 0.449 297 A N 0.070 122.837 122.820 -0.088 0.000 2.238 297 A HA 0.395 4.737 4.320 0.036 0.000 0.208 297 A C 1.273 178.848 177.584 -0.016 0.000 1.177 297 A CA 0.673 52.677 52.037 -0.055 0.000 0.804 297 A CB -0.500 18.448 19.000 -0.086 0.000 0.823 297 A HN 0.457 nan 8.150 nan 0.000 0.482 298 G N -0.549 108.255 108.800 0.006 0.000 2.796 298 G HA2 -0.155 3.827 3.960 0.036 0.000 0.571 298 G HA3 -0.155 3.827 3.960 0.036 0.000 0.571 298 G C -0.604 174.320 174.900 0.040 0.000 1.370 298 G CA -0.361 44.764 45.100 0.041 0.000 0.856 298 G HN 0.505 nan 8.290 nan 0.000 0.538 299 K N 0.133 120.564 120.400 0.052 0.000 2.183 299 K HA 0.719 5.061 4.320 0.036 0.000 0.274 299 K C 0.190 176.783 176.600 -0.010 0.000 1.009 299 K CA 0.190 56.490 56.287 0.023 0.000 0.888 299 K CB 1.817 34.319 32.500 0.003 0.000 1.078 299 K HN 1.447 nan 8.250 nan 0.000 0.459 300 A N 1.768 124.569 122.820 -0.033 0.000 2.540 300 A HA 0.603 4.945 4.320 0.036 0.000 0.297 300 A C -1.117 176.505 177.584 0.064 0.000 1.056 300 A CA -0.682 51.295 52.037 -0.100 0.000 0.700 300 A CB 1.666 20.411 19.000 -0.424 0.000 1.280 300 A HN 0.519 nan 8.150 nan 0.000 0.398 301 S N 0.537 116.426 115.700 0.316 0.000 2.667 301 S HA 0.760 5.252 4.470 0.036 0.000 0.292 301 S C -0.131 174.783 174.600 0.522 0.000 1.126 301 S CA -0.622 57.803 58.200 0.376 0.000 0.881 301 S CB 1.203 64.612 63.200 0.349 0.000 1.132 301 S HN 0.656 nan 8.310 nan 0.000 0.492 302 L N 1.287 122.712 121.223 0.336 0.000 2.482 302 L HA 0.542 4.904 4.340 0.036 0.000 0.242 302 L C 0.066 177.056 176.870 0.201 0.000 1.210 302 L CA -0.805 54.157 54.840 0.203 0.000 0.819 302 L CB 0.172 42.260 42.059 0.049 0.000 1.203 302 L HN 0.496 nan 8.230 nan 0.000 0.495 303 V N -2.962 116.969 119.914 0.029 0.000 2.850 303 V HA 0.169 4.311 4.120 0.036 0.000 0.315 303 V C 0.713 176.750 176.094 -0.095 0.000 1.064 303 V CA -0.768 61.518 62.300 -0.023 0.000 0.979 303 V CB 1.555 33.339 31.823 -0.064 0.000 1.039 303 V HN 0.940 nan 8.190 nan 0.000 0.452 304 W N 1.971 123.138 121.300 -0.222 0.000 2.317 304 W HA -0.237 4.444 4.660 0.035 0.000 0.318 304 W C 1.813 178.174 176.519 -0.263 0.000 1.227 304 W CA 2.583 59.789 57.345 -0.230 0.000 1.269 304 W CB -0.126 29.179 29.460 -0.258 0.000 1.155 304 W HN 1.001 nan 8.180 nan 0.000 0.484 305 D N 0.169 120.308 120.400 -0.436 0.000 2.149 305 D HA -0.292 4.370 4.640 0.036 0.000 0.198 305 D C 2.139 178.090 176.300 -0.583 0.000 0.990 305 D CA 2.164 55.873 54.000 -0.485 0.000 0.839 305 D CB -0.458 40.307 40.800 -0.059 0.000 0.948 305 D HN 0.396 nan 8.370 nan 0.000 0.460 306 E N -0.478 119.257 120.200 -0.775 0.000 2.047 306 E HA -0.164 4.208 4.350 0.036 0.000 0.191 306 E C 2.053 178.311 176.600 -0.571 0.000 0.987 306 E CA 0.940 56.817 56.400 -0.871 0.000 0.799 306 E CB -0.222 28.859 29.700 -1.032 0.000 0.752 306 E HN 0.293 nan 8.360 nan 0.000 0.449 307 A N 1.263 123.768 122.820 -0.525 0.000 1.883 307 A HA -0.271 4.071 4.320 0.036 0.000 0.217 307 A C 2.184 179.428 177.584 -0.566 0.000 1.186 307 A CA 1.886 53.656 52.037 -0.444 0.000 0.624 307 A CB -0.721 18.119 19.000 -0.267 0.000 0.822 307 A HN 0.455 nan 8.150 nan 0.000 0.444 308 Q N -0.625 118.632 119.800 -0.904 0.000 2.123 308 Q HA -0.157 4.204 4.340 0.036 0.000 0.199 308 Q C 2.164 177.883 176.000 -0.469 0.000 0.966 308 Q CA 1.660 56.964 55.803 -0.832 0.000 0.845 308 Q CB -0.126 27.840 28.738 -1.286 0.000 0.907 308 Q HN 0.672 nan 8.270 nan 0.000 0.439 309 K N 0.064 120.209 120.400 -0.424 0.000 2.097 309 K HA -0.135 4.206 4.320 0.036 0.000 0.205 309 K C 2.062 178.517 176.600 -0.240 0.000 1.050 309 K CA 0.613 56.743 56.287 -0.262 0.000 0.938 309 K CB -0.019 32.373 32.500 -0.180 0.000 0.718 309 K HN 0.180 nan 8.250 nan 0.000 0.442 310 L N 1.573 122.611 121.223 -0.309 0.000 2.131 310 L HA -0.160 4.202 4.340 0.036 0.000 0.210 310 L C 2.240 178.970 176.870 -0.232 0.000 1.092 310 L CA 2.232 56.885 54.840 -0.312 0.000 0.759 310 L CB -0.994 40.789 42.059 -0.459 0.000 0.903 310 L HN 0.358 nan 8.230 nan 0.000 0.435 311 T N -4.394 110.027 114.554 -0.222 0.000 2.803 311 T HA -0.092 4.280 4.350 0.036 0.000 0.269 311 T C 1.870 176.505 174.700 -0.110 0.000 1.052 311 T CA 1.053 63.064 62.100 -0.148 0.000 1.136 311 T CB -1.027 67.763 68.868 -0.129 0.000 0.864 311 T HN 0.381 nan 8.240 nan 0.000 0.467 312 G N 1.091 109.820 108.800 -0.118 0.000 2.408 312 G HA2 -0.006 3.976 3.960 0.036 0.000 0.213 312 G HA3 -0.006 3.976 3.960 0.036 0.000 0.213 312 G C 1.917 176.772 174.900 -0.074 0.000 1.177 312 G CA -0.236 44.813 45.100 -0.086 0.000 0.802 312 G HN 0.314 nan 8.290 nan 0.000 0.533 313 R N 0.236 120.682 120.500 -0.090 0.000 2.115 313 R HA 0.049 4.411 4.340 0.036 0.000 0.226 313 R C -0.175 176.098 176.300 -0.045 0.000 1.100 313 R CA 0.785 56.846 56.100 -0.065 0.000 0.980 313 R CB -0.141 30.113 30.300 -0.077 0.000 0.875 313 R HN 0.344 nan 8.270 nan 0.000 0.445 314 D N -0.429 119.937 120.400 -0.057 0.000 2.411 314 D HA 0.143 4.805 4.640 0.036 0.000 0.239 314 D C -2.124 174.176 176.300 -0.001 0.000 1.307 314 D CA -1.723 52.277 54.000 -0.000 0.000 0.930 314 D CB 1.384 42.231 40.800 0.078 0.000 1.395 314 D HN -0.149 nan 8.370 nan 0.000 0.536 315 P HA 0.019 nan 4.420 nan 0.000 0.230 315 P C 0.066 177.370 177.300 0.005 0.000 1.158 315 P CA 0.552 63.639 63.100 -0.022 0.000 0.769 315 P CB 0.494 32.178 31.700 -0.027 0.000 0.807 316 D N -1.276 119.138 120.400 0.024 0.000 2.358 316 D HA 0.064 4.726 4.640 0.036 0.000 0.224 316 D C 1.265 177.601 176.300 0.060 0.000 1.123 316 D CA -0.404 53.615 54.000 0.032 0.000 0.833 316 D CB -0.645 40.153 40.800 -0.004 0.000 0.946 316 D HN 0.125 nan 8.370 nan 0.000 0.505 317 F N 1.248 121.140 119.950 -0.097 0.000 2.091 317 F HA -0.279 4.270 4.527 0.036 0.000 0.299 317 F C 2.067 177.843 175.800 -0.041 0.000 1.103 317 F CA 1.921 59.859 58.000 -0.103 0.000 1.228 317 F CB 0.075 38.958 39.000 -0.195 0.000 0.984 317 F HN 0.133 nan 8.300 nan 0.000 0.477 318 H N -1.302 117.680 119.070 -0.146 0.000 2.372 318 H HA -0.067 4.511 4.556 0.035 0.000 0.301 318 H C 2.380 177.608 175.328 -0.167 0.000 1.065 318 H CA 0.848 56.665 56.048 -0.386 0.000 1.364 318 H CB -0.121 29.228 29.762 -0.688 0.000 1.406 318 H HN 0.165 nan 8.280 nan 0.000 0.521 319 R N 1.324 121.922 120.500 0.165 0.000 2.091 319 R HA -0.141 4.221 4.340 0.036 0.000 0.238 319 R C 2.411 178.815 176.300 0.173 0.000 1.136 319 R CA 1.375 57.622 56.100 0.245 0.000 0.959 319 R CB -0.048 30.382 30.300 0.217 0.000 0.856 319 R HN 0.199 nan 8.270 nan 0.000 0.437 320 R N 0.273 120.799 120.500 0.043 0.000 2.075 320 R HA -0.136 4.226 4.340 0.036 0.000 0.232 320 R C 2.162 178.468 176.300 0.011 0.000 1.126 320 R CA 1.613 57.724 56.100 0.018 0.000 0.963 320 R CB -0.183 30.089 30.300 -0.047 0.000 0.858 320 R HN 0.265 nan 8.270 nan 0.000 0.435 321 E N 0.604 120.707 120.200 -0.162 0.000 2.106 321 E HA -0.187 4.185 4.350 0.036 0.000 0.192 321 E C 1.948 178.520 176.600 -0.047 0.000 0.984 321 E CA 0.905 57.172 56.400 -0.222 0.000 0.806 321 E CB -0.010 29.373 29.700 -0.527 0.000 0.750 321 E HN 0.250 nan 8.360 nan 0.000 0.458 322 L N 0.808 122.051 121.223 0.034 0.000 2.027 322 L HA -0.121 4.241 4.340 0.036 0.000 0.206 322 L C 2.203 179.180 176.870 0.179 0.000 1.074 322 L CA 1.708 56.617 54.840 0.115 0.000 0.745 322 L CB -0.987 41.203 42.059 0.218 0.000 0.898 322 L HN 0.300 nan 8.230 nan 0.000 0.433 323 W N 0.905 122.245 121.300 0.066 0.000 2.335 323 W HA -0.223 4.458 4.660 0.034 0.000 0.311 323 W C 2.173 178.727 176.519 0.059 0.000 1.213 323 W CA 2.198 59.594 57.345 0.085 0.000 1.274 323 W CB -0.103 29.409 29.460 0.087 0.000 1.148 323 W HN 0.347 nan 8.180 nan 0.000 0.498 324 E N -0.209 120.166 120.200 0.292 0.000 2.158 324 E HA -0.097 4.275 4.350 0.036 0.000 0.191 324 E C 2.352 178.987 176.600 0.059 0.000 0.982 324 E CA 0.867 57.366 56.400 0.164 0.000 0.823 324 E CB -0.268 29.487 29.700 0.091 0.000 0.766 324 E HN 0.177 nan 8.360 nan 0.000 0.468 325 A N 1.235 124.088 122.820 0.055 0.000 1.902 325 A HA -0.180 4.162 4.320 0.036 0.000 0.217 325 A C 2.130 179.750 177.584 0.060 0.000 1.181 325 A CA 1.077 53.141 52.037 0.045 0.000 0.623 325 A CB -0.500 18.525 19.000 0.042 0.000 0.818 325 A HN 0.140 nan 8.150 nan 0.000 0.443 326 I N -0.556 120.066 120.570 0.087 0.000 2.252 326 I HA -0.216 3.976 4.170 0.036 0.000 0.245 326 I C 2.449 178.650 176.117 0.139 0.000 1.102 326 I CA 1.279 62.685 61.300 0.177 0.000 1.385 326 I CB -0.430 37.596 38.000 0.043 0.000 1.064 326 I HN 0.417 nan 8.210 nan 0.000 0.414 327 E N 0.918 121.140 120.200 0.035 0.000 2.160 327 E HA -0.235 4.137 4.350 0.036 0.000 0.195 327 E C 2.123 178.743 176.600 0.033 0.000 0.991 327 E CA 1.414 57.844 56.400 0.050 0.000 0.810 327 E CB -0.135 29.621 29.700 0.092 0.000 0.742 327 E HN 0.517 nan 8.360 nan 0.000 0.466 328 A N 0.002 122.817 122.820 -0.009 0.000 2.208 328 A HA 0.216 4.558 4.320 0.036 0.000 0.209 328 A C 1.783 179.297 177.584 -0.117 0.000 1.161 328 A CA 0.936 52.942 52.037 -0.052 0.000 0.782 328 A CB -0.108 18.839 19.000 -0.088 0.000 0.816 328 A HN 0.339 nan 8.150 nan 0.000 0.477 329 G N -0.312 108.334 108.800 -0.256 0.000 2.143 329 G HA2 -0.212 3.770 3.960 0.036 0.000 0.249 329 G HA3 -0.212 3.770 3.960 0.036 0.000 0.249 329 G C -0.200 174.213 174.900 -0.812 0.000 0.981 329 G CA 0.279 44.893 45.100 -0.811 0.000 0.665 329 G HN 0.461 nan 8.290 nan 0.000 0.528 330 D N 0.808 121.001 120.400 -0.345 0.000 2.994 330 D HA 0.252 4.914 4.640 0.036 0.000 0.240 330 D C 0.734 176.998 176.300 -0.060 0.000 1.195 330 D CA -0.108 53.791 54.000 -0.169 0.000 0.957 330 D CB -0.675 40.120 40.800 -0.007 0.000 1.105 330 D HN 0.450 nan 8.370 nan 0.000 0.477 331 F N 1.316 121.270 119.950 0.007 0.000 2.578 331 F HA 0.115 4.664 4.527 0.037 0.000 0.381 331 F C -1.400 174.378 175.800 -0.038 0.000 1.069 331 F CA -2.079 55.919 58.000 -0.004 0.000 1.231 331 F CB 0.070 39.078 39.000 0.014 0.000 1.086 331 F HN -0.136 nan 8.300 nan 0.000 0.564 332 P HA -0.023 nan 4.420 nan 0.000 0.260 332 P C -1.090 176.173 177.300 -0.062 0.000 1.185 332 P CA 0.550 63.648 63.100 -0.004 0.000 0.763 332 P CB 0.373 32.164 31.700 0.152 0.000 0.776 333 E N 2.679 122.704 120.200 -0.292 0.000 2.222 333 E HA 0.439 4.811 4.350 0.036 0.000 0.267 333 E C -0.997 175.354 176.600 -0.415 0.000 0.884 333 E CA -0.594 55.702 56.400 -0.172 0.000 0.764 333 E CB 1.476 31.154 29.700 -0.036 0.000 1.169 333 E HN 0.384 nan 8.360 nan 0.000 0.413 334 Y N 0.330 120.700 120.300 0.117 0.000 2.477 334 Y HA 0.269 4.843 4.550 0.039 0.000 0.347 334 Y C -0.122 176.003 175.900 0.375 0.000 0.981 334 Y CA -1.018 57.229 58.100 0.245 0.000 1.033 334 Y CB 1.997 40.583 38.460 0.210 0.000 1.245 334 Y HN 0.470 nan 8.280 nan 0.000 0.455 335 E N 2.325 122.840 120.200 0.527 0.000 2.197 335 E HA 0.379 4.751 4.350 0.036 0.000 0.281 335 E C -1.442 175.426 176.600 0.446 0.000 0.995 335 E CA -0.922 55.730 56.400 0.421 0.000 0.808 335 E CB 1.013 30.897 29.700 0.307 0.000 1.093 335 E HN 0.552 nan 8.360 nan 0.000 0.394 336 L N 4.080 125.475 121.223 0.286 0.000 2.380 336 L HA 0.518 4.880 4.340 0.036 0.000 0.273 336 L C -0.105 176.668 176.870 -0.163 0.000 1.138 336 L CA 0.509 55.240 54.840 -0.180 0.000 0.832 336 L CB 1.105 42.995 42.059 -0.283 0.000 1.124 336 L HN 0.556 nan 8.230 nan 0.000 0.454 337 G N 4.500 113.225 108.800 -0.125 0.000 2.591 337 G HA2 0.544 4.526 3.960 0.036 0.000 0.306 337 G HA3 0.544 4.526 3.960 0.036 0.000 0.306 337 G C -1.571 173.452 174.900 0.204 0.000 1.334 337 G CA -0.492 44.580 45.100 -0.047 0.000 0.981 337 G HN 0.467 nan 8.290 nan 0.000 0.491 338 F N 0.500 120.453 119.950 0.006 0.000 2.467 338 F HA 0.374 4.923 4.527 0.037 0.000 0.336 338 F C 0.464 176.248 175.800 -0.027 0.000 1.123 338 F CA -0.950 57.054 58.000 0.007 0.000 0.964 338 F CB 2.463 41.453 39.000 -0.016 0.000 1.136 338 F HN 0.134 nan 8.300 nan 0.000 0.447 339 Q N 4.542 124.451 119.800 0.182 0.000 2.296 339 Q HA 0.470 4.832 4.340 0.036 0.000 0.257 339 Q C -1.030 175.005 176.000 0.058 0.000 0.942 339 Q CA -0.435 55.423 55.803 0.092 0.000 0.939 339 Q CB 1.931 30.732 28.738 0.105 0.000 1.198 339 Q HN 0.552 nan 8.270 nan 0.000 0.429 340 L N 4.083 125.350 121.223 0.072 0.000 2.322 340 L HA 0.583 4.944 4.340 0.036 0.000 0.281 340 L C -0.746 176.175 176.870 0.085 0.000 1.014 340 L CA -0.777 54.094 54.840 0.052 0.000 0.815 340 L CB 1.260 43.355 42.059 0.060 0.000 1.247 340 L HN 0.511 nan 8.230 nan 0.000 0.421 341 I N 4.185 124.821 120.570 0.111 0.000 2.468 341 I HA 0.391 4.583 4.170 0.036 0.000 0.285 341 I C -2.329 173.896 176.117 0.180 0.000 1.039 341 I CA -1.661 59.751 61.300 0.187 0.000 1.074 341 I CB 1.890 40.038 38.000 0.248 0.000 1.228 341 I HN 0.297 nan 8.210 nan 0.000 0.436 342 P HA 0.029 nan 4.420 nan 0.000 0.269 342 P C 0.690 178.036 177.300 0.076 0.000 1.217 342 P CA -0.131 62.992 63.100 0.038 0.000 0.783 342 P CB 0.817 32.538 31.700 0.035 0.000 0.898 343 E N 1.266 121.422 120.200 -0.072 0.000 2.106 343 E HA -0.237 4.134 4.350 0.036 0.000 0.192 343 E C 0.849 177.524 176.600 0.126 0.000 0.984 343 E CA 1.250 57.592 56.400 -0.097 0.000 0.806 343 E CB -0.063 29.489 29.700 -0.247 0.000 0.750 343 E HN 0.395 nan 8.360 nan 0.000 0.458 344 E N 0.796 121.043 120.200 0.078 0.000 2.409 344 E HA -0.131 4.241 4.350 0.036 0.000 0.198 344 E C 0.688 177.345 176.600 0.095 0.000 1.024 344 E CA 0.972 57.429 56.400 0.095 0.000 0.861 344 E CB 0.025 29.761 29.700 0.059 0.000 0.788 344 E HN 0.265 nan 8.360 nan 0.000 0.521 345 D N 0.233 120.692 120.400 0.097 0.000 2.342 345 D HA -0.022 4.640 4.640 0.036 0.000 0.221 345 D C 1.250 177.559 176.300 0.015 0.000 1.101 345 D CA 0.086 54.110 54.000 0.040 0.000 0.837 345 D CB 0.026 40.857 40.800 0.051 0.000 0.938 345 D HN 0.311 nan 8.370 nan 0.000 0.508 346 E N -0.124 120.070 120.200 -0.010 0.000 2.114 346 E HA -0.212 4.160 4.350 0.036 0.000 0.199 346 E C 0.418 176.668 176.600 -0.584 0.000 1.008 346 E CA 1.182 57.355 56.400 -0.378 0.000 0.810 346 E CB -0.001 29.343 29.700 -0.593 0.000 0.739 346 E HN 0.260 nan 8.360 nan 0.000 0.456 347 F N -0.362 119.576 119.950 -0.020 0.000 2.684 347 F HA 0.283 4.832 4.527 0.036 0.000 0.298 347 F C 1.319 177.027 175.800 -0.154 0.000 1.120 347 F CA -0.254 57.707 58.000 -0.065 0.000 1.332 347 F CB 0.551 39.529 39.000 -0.037 0.000 0.986 347 F HN -0.176 nan 8.300 nan 0.000 0.524 348 K N 0.006 120.282 120.400 -0.206 0.000 2.487 348 K HA 0.108 4.450 4.320 0.036 0.000 0.192 348 K C -0.233 175.921 176.600 -0.744 0.000 1.027 348 K CA 0.434 56.423 56.287 -0.496 0.000 1.054 348 K CB 0.204 32.340 32.500 -0.607 0.000 0.824 348 K HN 0.155 nan 8.250 nan 0.000 0.510 349 F N 0.259 120.057 119.950 -0.254 0.000 2.557 349 F HA 0.109 4.658 4.527 0.037 0.000 0.336 349 F C 0.977 176.589 175.800 -0.313 0.000 1.058 349 F CA -1.313 56.449 58.000 -0.397 0.000 0.988 349 F CB 0.832 39.244 39.000 -0.980 0.000 1.275 349 F HN -0.047 nan 8.300 nan 0.000 0.488 350 D N -0.307 120.113 120.400 0.034 0.000 2.325 350 D HA 0.073 4.735 4.640 0.036 0.000 0.225 350 D C -0.476 175.931 176.300 0.179 0.000 1.096 350 D CA 0.097 54.159 54.000 0.103 0.000 0.844 350 D CB -0.852 40.033 40.800 0.143 0.000 0.925 350 D HN 0.245 nan 8.370 nan 0.000 0.513 351 F N -1.758 118.274 119.950 0.135 0.000 2.611 351 F HA 0.538 5.087 4.527 0.035 0.000 0.324 351 F C -0.283 175.511 175.800 -0.009 0.000 1.061 351 F CA -1.731 56.275 58.000 0.010 0.000 0.954 351 F CB 0.979 39.940 39.000 -0.065 0.000 1.301 351 F HN -0.335 nan 8.300 nan 0.000 0.482 352 D N 1.791 122.213 120.400 0.037 0.000 2.308 352 D HA 0.183 4.845 4.640 0.036 0.000 0.251 352 D C 0.974 177.225 176.300 -0.080 0.000 1.127 352 D CA -0.014 53.954 54.000 -0.054 0.000 0.876 352 D CB 1.489 42.279 40.800 -0.017 0.000 1.176 352 D HN 0.761 nan 8.370 nan 0.000 0.446 353 L N 3.420 124.528 121.223 -0.190 0.000 2.265 353 L HA -0.116 4.246 4.340 0.036 0.000 0.215 353 L C 1.845 178.588 176.870 -0.212 0.000 1.117 353 L CA 0.679 55.384 54.840 -0.224 0.000 0.782 353 L CB -0.015 41.768 42.059 -0.459 0.000 0.914 353 L HN 0.448 nan 8.230 nan 0.000 0.441 354 L N -1.123 119.999 121.223 -0.169 0.000 2.607 354 L HA 0.099 4.461 4.340 0.036 0.000 0.228 354 L C 0.304 177.112 176.870 -0.103 0.000 1.123 354 L CA -0.183 54.621 54.840 -0.060 0.000 0.890 354 L CB -0.126 41.996 42.059 0.105 0.000 1.103 354 L HN 0.055 nan 8.230 nan 0.000 0.468 355 D N 1.971 122.082 120.400 -0.483 0.000 2.359 355 D HA 0.139 4.800 4.640 0.036 0.000 0.230 355 D C -1.714 174.362 176.300 -0.374 0.000 1.118 355 D CA -2.253 51.189 54.000 -0.930 0.000 0.844 355 D CB 1.577 41.550 40.800 -1.378 0.000 1.059 355 D HN -0.061 nan 8.370 nan 0.000 0.493 356 P HA 0.017 nan 4.420 nan 0.000 0.253 356 P C 0.743 177.955 177.300 -0.147 0.000 1.260 356 P CA 0.322 63.359 63.100 -0.105 0.000 0.800 356 P CB 0.001 31.731 31.700 0.049 0.000 1.162 357 T N -4.122 110.334 114.554 -0.165 0.000 3.107 357 T HA 0.160 4.531 4.350 0.036 0.000 0.249 357 T C 0.721 175.341 174.700 -0.134 0.000 1.096 357 T CA -0.075 61.941 62.100 -0.140 0.000 1.012 357 T CB -0.150 68.679 68.868 -0.066 0.000 0.977 357 T HN -0.138 nan 8.240 nan 0.000 0.527 358 K N 2.036 122.264 120.400 -0.286 0.000 2.221 358 K HA 0.591 4.933 4.320 0.036 0.000 0.258 358 K C -0.376 176.050 176.600 -0.289 0.000 0.944 358 K CA -0.836 55.162 56.287 -0.481 0.000 0.823 358 K CB 2.235 34.309 32.500 -0.710 0.000 1.113 358 K HN 0.292 nan 8.250 nan 0.000 0.431 359 L N -0.567 120.609 121.223 -0.078 0.000 2.358 359 L HA 0.663 5.025 4.340 0.036 0.000 0.268 359 L C -0.093 176.610 176.870 -0.278 0.000 1.032 359 L CA -0.565 54.190 54.840 -0.141 0.000 0.805 359 L CB 0.388 42.432 42.059 -0.024 0.000 1.253 359 L HN 0.451 nan 8.230 nan 0.000 0.452 360 I N 1.473 121.963 120.570 -0.134 0.000 2.306 360 I HA 0.383 4.575 4.170 0.036 0.000 0.288 360 I C -2.147 173.976 176.117 0.010 0.000 1.036 360 I CA -1.667 59.595 61.300 -0.064 0.000 1.221 360 I CB 1.162 39.139 38.000 -0.037 0.000 1.385 360 I HN 0.452 nan 8.210 nan 0.000 0.472 361 P HA 0.069 nan 4.420 nan 0.000 0.268 361 P C 0.301 177.654 177.300 0.088 0.000 1.204 361 P CA -0.057 63.076 63.100 0.055 0.000 0.768 361 P CB 0.659 32.379 31.700 0.033 0.000 0.842 362 E N 1.585 121.849 120.200 0.107 0.000 2.204 362 E HA -0.190 4.182 4.350 0.036 0.000 0.194 362 E C 1.374 178.021 176.600 0.079 0.000 0.989 362 E CA 0.782 57.235 56.400 0.088 0.000 0.824 362 E CB -0.023 29.732 29.700 0.091 0.000 0.756 362 E HN 0.507 nan 8.360 nan 0.000 0.477 363 E N 0.550 120.798 120.200 0.080 0.000 2.153 363 E HA -0.146 4.226 4.350 0.036 0.000 0.194 363 E C 2.101 178.760 176.600 0.098 0.000 0.988 363 E CA 0.774 57.220 56.400 0.076 0.000 0.811 363 E CB 0.030 29.770 29.700 0.065 0.000 0.746 363 E HN 0.365 nan 8.360 nan 0.000 0.466 364 L N -0.382 120.917 121.223 0.127 0.000 2.168 364 L HA 0.034 4.396 4.340 0.036 0.000 0.203 364 L C 0.723 177.705 176.870 0.188 0.000 1.078 364 L CA 0.490 55.445 54.840 0.191 0.000 0.780 364 L CB 0.283 42.511 42.059 0.282 0.000 0.939 364 L HN -0.198 nan 8.230 nan 0.000 0.451 365 V N 1.636 121.628 119.914 0.131 0.000 2.419 365 V HA 0.317 4.459 4.120 0.036 0.000 0.287 365 V C -2.302 173.833 176.094 0.069 0.000 1.017 365 V CA -1.450 60.916 62.300 0.111 0.000 0.844 365 V CB 1.529 33.406 31.823 0.091 0.000 1.011 365 V HN -0.024 nan 8.190 nan 0.000 0.429 366 P HA 0.197 nan 4.420 nan 0.000 0.274 366 P C -0.341 176.957 177.300 -0.004 0.000 1.237 366 P CA -0.084 63.034 63.100 0.031 0.000 0.793 366 P CB 1.277 32.999 31.700 0.038 0.000 0.977 367 V N 2.590 122.469 119.914 -0.059 0.000 2.455 367 V HA 0.091 4.233 4.120 0.036 0.000 0.273 367 V C 0.912 176.989 176.094 -0.028 0.000 1.045 367 V CA 0.027 62.257 62.300 -0.115 0.000 0.976 367 V CB 0.139 31.802 31.823 -0.267 0.000 0.993 367 V HN 0.545 nan 8.190 nan 0.000 0.475 368 Q N 5.603 125.408 119.800 0.008 0.000 2.288 368 Q HA 0.302 4.664 4.340 0.036 0.000 0.258 368 Q C -0.177 175.803 176.000 -0.033 0.000 0.957 368 Q CA -0.559 55.251 55.803 0.011 0.000 0.919 368 Q CB 0.633 29.390 28.738 0.033 0.000 1.185 368 Q HN 0.646 nan 8.270 nan 0.000 0.408 369 R N 3.028 123.539 120.500 0.019 0.000 2.267 369 R HA 0.148 4.510 4.340 0.036 0.000 0.319 369 R C 0.122 176.444 176.300 0.035 0.000 1.067 369 R CA -0.300 55.839 56.100 0.065 0.000 0.936 369 R CB 1.003 31.433 30.300 0.216 0.000 1.006 369 R HN 0.492 nan 8.270 nan 0.000 0.452 370 V N 1.520 121.314 119.914 -0.200 0.000 3.572 370 V HA 0.289 4.431 4.120 0.036 0.000 0.260 370 V C 0.710 176.503 176.094 -0.502 0.000 1.324 370 V CA 0.943 63.029 62.300 -0.356 0.000 1.068 370 V CB 1.082 32.438 31.823 -0.779 0.000 0.837 370 V HN 1.041 nan 8.190 nan 0.000 0.450 371 G N -0.244 108.061 108.800 -0.824 0.000 2.349 371 G HA2 0.458 4.440 3.960 0.036 0.000 0.294 371 G HA3 0.458 4.440 3.960 0.036 0.000 0.294 371 G C -1.808 172.711 174.900 -0.636 0.000 1.380 371 G CA -0.593 43.868 45.100 -1.066 0.000 0.811 371 G HN 0.009 nan 8.290 nan 0.000 0.519 372 K N -0.278 119.850 120.400 -0.454 0.000 2.427 372 K HA 0.699 5.041 4.320 0.036 0.000 0.252 372 K C -0.763 175.888 176.600 0.086 0.000 0.931 372 K CA -0.793 55.508 56.287 0.023 0.000 0.793 372 K CB 2.061 34.623 32.500 0.104 0.000 1.211 372 K HN 0.627 nan 8.250 nan 0.000 0.426 373 M N 4.592 124.390 119.600 0.329 0.000 2.336 373 M HA 0.433 4.935 4.480 0.036 0.000 0.342 373 M C -1.656 174.627 176.300 -0.030 0.000 1.128 373 M CA -0.720 54.686 55.300 0.177 0.000 1.016 373 M CB 1.603 34.330 32.600 0.211 0.000 1.665 373 M HN 0.351 nan 8.290 nan 0.000 0.445 374 V N 6.254 125.980 119.914 -0.312 0.000 2.531 374 V HA 0.423 4.565 4.120 0.036 0.000 0.301 374 V C -0.605 175.354 176.094 -0.225 0.000 1.034 374 V CA -0.729 61.407 62.300 -0.274 0.000 0.865 374 V CB 1.827 33.356 31.823 -0.491 0.000 0.995 374 V HN 0.808 nan 8.190 nan 0.000 0.424 375 L N 5.494 126.674 121.223 -0.073 0.000 2.255 375 L HA 0.483 4.845 4.340 0.036 0.000 0.289 375 L C 0.485 177.259 176.870 -0.161 0.000 1.046 375 L CA -0.302 54.494 54.840 -0.072 0.000 0.816 375 L CB 0.857 42.923 42.059 0.011 0.000 1.197 375 L HN 0.870 nan 8.230 nan 0.000 0.427 376 N N 2.518 121.033 118.700 -0.307 0.000 2.197 376 N HA 0.128 4.890 4.740 0.036 0.000 0.228 376 N C -0.014 175.303 175.510 -0.321 0.000 1.212 376 N CA -0.375 52.239 53.050 -0.726 0.000 0.883 376 N CB 0.767 38.529 38.487 -1.208 0.000 1.107 376 N HN 0.469 nan 8.380 nan 0.000 0.519 377 R N 0.280 120.704 120.500 -0.127 0.000 2.515 377 R HA 0.295 4.657 4.340 0.036 0.000 0.278 377 R C -1.234 175.018 176.300 -0.080 0.000 1.107 377 R CA -0.541 55.506 56.100 -0.088 0.000 0.945 377 R CB 1.212 31.471 30.300 -0.069 0.000 1.219 377 R HN 0.052 nan 8.270 nan 0.000 0.434 378 N N 2.996 121.526 118.700 -0.283 0.000 2.381 378 N HA 0.302 5.064 4.740 0.036 0.000 0.254 378 N C -2.295 173.154 175.510 -0.102 0.000 1.264 378 N CA -1.212 51.538 53.050 -0.501 0.000 0.942 378 N CB 0.424 37.968 38.487 -1.571 0.000 1.190 378 N HN 0.320 nan 8.380 nan 0.000 0.495 379 P HA 0.149 nan 4.420 nan 0.000 0.274 379 P C 0.141 177.622 177.300 0.302 0.000 1.256 379 P CA -0.131 63.155 63.100 0.311 0.000 0.795 379 P CB 0.975 32.908 31.700 0.389 0.000 1.038 380 D N -1.028 119.520 120.400 0.248 0.000 2.197 380 D HA -0.022 4.640 4.640 0.036 0.000 0.212 380 D C 0.402 176.874 176.300 0.287 0.000 0.963 380 D CA 1.366 55.509 54.000 0.238 0.000 0.864 380 D CB 0.151 41.032 40.800 0.135 0.000 1.009 380 D HN 0.371 nan 8.370 nan 0.000 0.479 381 N N -0.066 118.791 118.700 0.261 0.000 2.491 381 N HA 0.013 4.775 4.740 0.036 0.000 0.274 381 N C 0.143 175.849 175.510 0.327 0.000 1.023 381 N CA -0.318 52.900 53.050 0.280 0.000 0.902 381 N CB 1.496 40.115 38.487 0.221 0.000 1.267 381 N HN -0.154 nan 8.380 nan 0.000 0.503 382 F N 4.594 124.696 119.950 0.253 0.000 2.065 382 F HA -0.207 4.342 4.527 0.036 0.000 0.298 382 F C 1.691 177.627 175.800 0.226 0.000 1.112 382 F CA 1.635 59.788 58.000 0.255 0.000 1.212 382 F CB -0.183 38.939 39.000 0.202 0.000 0.975 382 F HN 0.603 nan 8.300 nan 0.000 0.476 383 F N 0.867 121.045 119.950 0.379 0.000 2.075 383 F HA -0.142 4.408 4.527 0.038 0.000 0.297 383 F C 2.301 178.157 175.800 0.093 0.000 1.113 383 F CA 1.840 59.987 58.000 0.246 0.000 1.218 383 F CB -0.956 38.168 39.000 0.206 0.000 0.984 383 F HN 0.004 nan 8.300 nan 0.000 0.472 384 A N -0.406 122.557 122.820 0.239 0.000 1.933 384 A HA -0.153 4.189 4.320 0.036 0.000 0.218 384 A C 2.081 179.598 177.584 -0.112 0.000 1.175 384 A CA 1.995 54.073 52.037 0.069 0.000 0.628 384 A CB -0.643 18.450 19.000 0.155 0.000 0.814 384 A HN 0.604 nan 8.150 nan 0.000 0.444 385 E N -1.462 118.683 120.200 -0.093 0.000 2.206 385 E HA -0.051 4.320 4.350 0.036 0.000 0.195 385 E C 1.933 178.453 176.600 -0.133 0.000 0.935 385 E CA 0.408 56.693 56.400 -0.192 0.000 0.875 385 E CB -0.085 29.551 29.700 -0.107 0.000 0.841 385 E HN 0.559 nan 8.360 nan 0.000 0.477 386 N N 1.257 119.876 118.700 -0.134 0.000 2.245 386 N HA -0.150 4.612 4.740 0.036 0.000 0.185 386 N C 1.817 177.168 175.510 -0.265 0.000 1.036 386 N CA 1.290 54.214 53.050 -0.209 0.000 0.857 386 N CB 0.096 38.078 38.487 -0.843 0.000 1.015 386 N HN -0.071 nan 8.380 nan 0.000 0.436 387 E N 0.847 120.816 120.200 -0.385 0.000 2.110 387 E HA -0.088 4.284 4.350 0.036 0.000 0.193 387 E C 1.649 178.069 176.600 -0.300 0.000 0.988 387 E CA 1.425 57.676 56.400 -0.248 0.000 0.804 387 E CB -0.131 29.429 29.700 -0.232 0.000 0.745 387 E HN 0.476 nan 8.360 nan 0.000 0.458 388 Q N -0.355 119.199 119.800 -0.411 0.000 2.425 388 Q HA 0.240 4.602 4.340 0.036 0.000 0.204 388 Q C -0.009 175.878 176.000 -0.187 0.000 0.933 388 Q CA 0.230 55.840 55.803 -0.320 0.000 0.939 388 Q CB 0.435 28.960 28.738 -0.355 0.000 1.044 388 Q HN 0.225 nan 8.270 nan 0.000 0.513 389 A N 1.142 123.877 122.820 -0.141 0.000 2.511 389 A HA 0.437 4.779 4.320 0.036 0.000 0.242 389 A C -0.156 177.327 177.584 -0.169 0.000 1.069 389 A CA 0.217 52.159 52.037 -0.159 0.000 0.763 389 A CB 0.217 19.210 19.000 -0.011 0.000 1.001 389 A HN 0.265 nan 8.150 nan 0.000 0.498 390 A N 2.651 125.306 122.820 -0.274 0.000 2.311 390 A HA 0.705 5.047 4.320 0.036 0.000 0.306 390 A C -0.730 176.719 177.584 -0.224 0.000 1.189 390 A CA -0.424 51.515 52.037 -0.164 0.000 0.791 390 A CB 0.304 19.189 19.000 -0.192 0.000 1.172 390 A HN 0.647 nan 8.150 nan 0.000 0.481 391 F N 0.878 120.822 119.950 -0.012 0.000 2.470 391 F HA 0.666 5.209 4.527 0.027 0.000 0.329 391 F C 0.378 176.139 175.800 -0.066 0.000 1.072 391 F CA -0.066 57.904 58.000 -0.051 0.000 0.989 391 F CB 1.940 40.859 39.000 -0.135 0.000 1.193 391 F HN 0.748 nan 8.300 nan 0.000 0.481 392 H N 2.828 121.750 119.070 -0.247 0.000 3.099 392 H HA 0.263 4.831 4.556 0.020 0.000 0.342 392 H C -2.446 172.519 175.328 -0.606 0.000 1.054 392 H CA -1.721 53.964 56.048 -0.604 0.000 1.328 392 H CB 2.573 31.899 29.762 -0.727 0.000 1.876 392 H HN 0.168 nan 8.280 nan 0.000 0.495 393 P HA -0.027 nan 4.420 nan 0.000 0.225 393 P C 1.177 178.369 177.300 -0.180 0.000 1.148 393 P CA 1.373 64.156 63.100 -0.528 0.000 0.779 393 P CB 0.099 31.529 31.700 -0.451 0.000 0.780 394 G N -1.095 107.428 108.800 -0.462 0.000 2.598 394 G HA2 -0.151 3.831 3.960 0.036 0.000 0.215 394 G HA3 -0.151 3.831 3.960 0.036 0.000 0.215 394 G C 0.459 175.602 174.900 0.405 0.000 1.131 394 G CA -0.033 45.178 45.100 0.184 0.000 0.785 394 G HN 0.435 nan 8.290 nan 0.000 0.539 395 H N 0.824 120.019 119.070 0.209 0.000 3.216 395 H HA 0.312 4.895 4.556 0.044 0.000 0.263 395 H C 0.646 176.085 175.328 0.185 0.000 1.601 395 H CA -0.759 55.379 56.048 0.150 0.000 1.509 395 H CB -0.142 29.673 29.762 0.087 0.000 1.759 395 H HN 0.385 nan 8.280 nan 0.000 0.533 396 I N -0.489 120.211 120.570 0.218 0.000 3.217 396 I HA 0.681 4.873 4.170 0.036 0.000 0.308 396 I C -0.088 176.015 176.117 -0.023 0.000 1.091 396 I CA -1.370 59.979 61.300 0.082 0.000 1.013 396 I CB 1.814 39.744 38.000 -0.116 0.000 1.250 396 I HN 0.102 nan 8.210 nan 0.000 0.496 397 V N -2.374 117.502 119.914 -0.063 0.000 3.141 397 V HA 0.671 4.813 4.120 0.036 0.000 0.312 397 V C -2.864 173.320 176.094 0.150 0.000 1.157 397 V CA -2.524 59.802 62.300 0.044 0.000 1.041 397 V CB 1.013 32.846 31.823 0.016 0.000 1.071 397 V HN 0.623 nan 8.190 nan 0.000 0.441 398 P HA 0.415 nan 4.420 nan 0.000 0.265 398 P C 0.874 178.164 177.300 -0.017 0.000 1.193 398 P CA 1.961 65.129 63.100 0.114 0.000 0.765 398 P CB 0.833 32.580 31.700 0.077 0.000 0.823 399 G N 1.649 110.393 108.800 -0.094 0.000 2.238 399 G HA2 -0.158 3.824 3.960 0.036 0.000 0.217 399 G HA3 -0.158 3.824 3.960 0.036 0.000 0.217 399 G C -0.242 174.563 174.900 -0.158 0.000 0.996 399 G CA -0.417 44.609 45.100 -0.123 0.000 0.632 399 G HN 0.440 nan 8.290 nan 0.000 0.503 400 L N -0.024 121.118 121.223 -0.135 0.000 2.309 400 L HA 0.929 5.291 4.340 0.036 0.000 0.261 400 L C -0.557 176.257 176.870 -0.093 0.000 1.021 400 L CA -1.053 53.688 54.840 -0.166 0.000 0.823 400 L CB 2.174 44.051 42.059 -0.304 0.000 1.366 400 L HN 0.117 nan 8.230 nan 0.000 0.423 401 D N -0.836 119.495 120.400 -0.115 0.000 2.692 401 D HA 0.434 5.096 4.640 0.036 0.000 0.290 401 D C -1.309 174.929 176.300 -0.103 0.000 1.281 401 D CA -0.362 53.531 54.000 -0.180 0.000 0.804 401 D CB 1.785 42.558 40.800 -0.046 0.000 1.331 401 D HN 0.130 nan 8.370 nan 0.000 0.432 402 F N -0.204 119.879 119.950 0.222 0.000 2.294 402 F HA 0.561 5.119 4.527 0.051 0.000 0.319 402 F C 1.453 177.277 175.800 0.040 0.000 1.107 402 F CA -0.185 57.872 58.000 0.096 0.000 1.094 402 F CB 1.203 40.231 39.000 0.047 0.000 1.508 402 F HN 0.246 nan 8.300 nan 0.000 0.506 403 T N -3.275 111.386 114.554 0.177 0.000 2.804 403 T HA 0.297 4.669 4.350 0.036 0.000 0.290 403 T C -0.182 174.557 174.700 0.065 0.000 1.099 403 T CA -0.986 61.196 62.100 0.138 0.000 1.011 403 T CB 1.216 70.138 68.868 0.091 0.000 1.291 403 T HN 0.333 nan 8.240 nan 0.000 0.523 404 N N 1.160 119.902 118.700 0.071 0.000 2.434 404 N HA 0.050 4.812 4.740 0.036 0.000 0.196 404 N C 0.045 175.564 175.510 0.016 0.000 1.183 404 N CA 0.088 53.162 53.050 0.039 0.000 0.849 404 N CB -0.403 38.124 38.487 0.067 0.000 0.992 404 N HN 0.682 nan 8.380 nan 0.000 0.460 405 D N 2.282 122.674 120.400 -0.014 0.000 2.662 405 D HA -0.084 4.577 4.640 0.036 0.000 0.237 405 D C -1.417 174.872 176.300 -0.018 0.000 1.154 405 D CA -0.805 53.202 54.000 0.012 0.000 0.861 405 D CB 1.201 41.946 40.800 -0.092 0.000 1.146 405 D HN 0.167 nan 8.370 nan 0.000 0.518 406 P HA -0.074 nan 4.420 nan 0.000 0.241 406 P C 1.464 178.777 177.300 0.022 0.000 1.191 406 P CA 0.034 63.146 63.100 0.021 0.000 0.771 406 P CB 0.446 32.155 31.700 0.016 0.000 0.929 407 L N -0.235 121.017 121.223 0.048 0.000 2.102 407 L HA 0.018 4.380 4.340 0.036 0.000 0.202 407 L C 2.283 179.061 176.870 -0.153 0.000 1.076 407 L CA 1.205 56.065 54.840 0.033 0.000 0.761 407 L CB -1.489 40.676 42.059 0.176 0.000 0.921 407 L HN -0.170 nan 8.230 nan 0.000 0.444 408 L N -0.461 120.495 121.223 -0.443 0.000 2.042 408 L HA -0.218 4.144 4.340 0.036 0.000 0.210 408 L C 2.442 179.060 176.870 -0.420 0.000 1.076 408 L CA 1.796 56.174 54.840 -0.771 0.000 0.749 408 L CB -0.979 40.442 42.059 -1.064 0.000 0.893 408 L HN 0.383 nan 8.230 nan 0.000 0.432 409 Q N -0.293 119.332 119.800 -0.292 0.000 2.096 409 Q HA -0.147 4.215 4.340 0.036 0.000 0.204 409 Q C 2.071 177.986 176.000 -0.140 0.000 0.982 409 Q CA 1.787 57.460 55.803 -0.217 0.000 0.850 409 Q CB -0.688 27.975 28.738 -0.125 0.000 0.901 409 Q HN 0.695 nan 8.270 nan 0.000 0.422 410 G N 0.334 109.082 108.800 -0.086 0.000 2.430 410 G HA2 -0.182 3.800 3.960 0.036 0.000 0.216 410 G HA3 -0.182 3.800 3.960 0.036 0.000 0.216 410 G C 1.488 176.404 174.900 0.027 0.000 1.146 410 G CA 0.071 45.169 45.100 -0.002 0.000 0.793 410 G HN 0.238 nan 8.290 nan 0.000 0.537 411 R N -0.061 120.402 120.500 -0.062 0.000 2.133 411 R HA -0.042 4.320 4.340 0.036 0.000 0.247 411 R C 2.467 178.848 176.300 0.134 0.000 1.151 411 R CA 1.063 57.182 56.100 0.032 0.000 0.971 411 R CB -0.501 29.778 30.300 -0.035 0.000 0.866 411 R HN 0.332 nan 8.270 nan 0.000 0.447 412 L N -0.478 120.726 121.223 -0.031 0.000 2.127 412 L HA -0.208 4.154 4.340 0.036 0.000 0.211 412 L C 2.291 179.306 176.870 0.240 0.000 1.089 412 L CA 1.092 55.936 54.840 0.007 0.000 0.757 412 L CB -0.437 41.470 42.059 -0.252 0.000 0.899 412 L HN 0.167 nan 8.230 nan 0.000 0.434 413 F N 0.218 120.203 119.950 0.058 0.000 2.113 413 F HA -0.235 4.275 4.527 -0.029 0.000 0.297 413 F C 2.840 178.681 175.800 0.068 0.000 1.103 413 F CA 1.804 59.833 58.000 0.047 0.000 1.248 413 F CB -0.276 38.730 39.000 0.010 0.000 0.999 413 F HN -0.041 nan 8.300 nan 0.000 0.475 414 S N -1.084 114.619 115.700 0.005 0.000 2.387 414 S HA -0.172 4.320 4.470 0.036 0.000 0.226 414 S C 2.000 176.470 174.600 -0.217 0.000 1.026 414 S CA 1.044 59.130 58.200 -0.190 0.000 0.972 414 S CB -0.768 62.353 63.200 -0.131 0.000 0.814 414 S HN 0.526 nan 8.310 nan 0.000 0.477 415 Y N 1.433 121.737 120.300 0.006 0.000 2.439 415 Y HA 0.014 4.616 4.550 0.086 0.000 0.292 415 Y C 2.787 178.325 175.900 -0.603 0.000 1.130 415 Y CA 1.143 59.257 58.100 0.024 0.000 1.254 415 Y CB -0.364 39.092 38.460 1.660 0.000 1.000 415 Y HN 0.283 nan 8.280 nan 0.000 0.554 416 T N -0.913 113.225 114.554 -0.693 0.000 2.852 416 T HA -0.142 4.230 4.350 0.036 0.000 0.256 416 T C 1.388 175.879 174.700 -0.348 0.000 1.038 416 T CA 1.396 63.209 62.100 -0.477 0.000 1.141 416 T CB -0.317 68.332 68.868 -0.366 0.000 0.869 416 T HN 0.308 nan 8.240 nan 0.000 0.439 417 D N 0.975 121.103 120.400 -0.452 0.000 2.104 417 D HA -0.124 4.538 4.640 0.036 0.000 0.194 417 D C 2.253 178.393 176.300 -0.268 0.000 0.994 417 D CA 1.560 55.314 54.000 -0.410 0.000 0.830 417 D CB -0.483 39.869 40.800 -0.747 0.000 0.959 417 D HN 0.225 nan 8.370 nan 0.000 0.452 418 T N -0.966 113.424 114.554 -0.273 0.000 2.849 418 T HA -0.143 4.229 4.350 0.036 0.000 0.270 418 T C 1.617 176.197 174.700 -0.199 0.000 1.066 418 T CA 1.208 63.192 62.100 -0.194 0.000 1.130 418 T CB -0.222 68.529 68.868 -0.195 0.000 0.864 418 T HN 0.174 nan 8.240 nan 0.000 0.481 419 Q N 0.555 120.167 119.800 -0.315 0.000 2.291 419 Q HA 0.011 4.373 4.340 0.036 0.000 0.205 419 Q C 2.270 178.173 176.000 -0.162 0.000 0.970 419 Q CA 0.628 56.197 55.803 -0.390 0.000 0.876 419 Q CB -0.392 27.717 28.738 -1.049 0.000 0.935 419 Q HN 0.515 nan 8.270 nan 0.000 0.455 420 I N 1.296 121.823 120.570 -0.073 0.000 2.208 420 I HA -0.239 3.952 4.170 0.036 0.000 0.245 420 I C 2.364 178.495 176.117 0.024 0.000 1.097 420 I CA 1.842 63.157 61.300 0.025 0.000 1.363 420 I CB -1.432 36.581 38.000 0.023 0.000 1.051 420 I HN 0.200 nan 8.210 nan 0.000 0.413 421 S N 0.352 116.048 115.700 -0.006 0.000 2.404 421 S HA -0.076 4.416 4.470 0.036 0.000 0.223 421 S C 2.168 176.772 174.600 0.007 0.000 1.040 421 S CA 0.222 58.429 58.200 0.012 0.000 0.957 421 S CB -0.420 62.786 63.200 0.010 0.000 0.826 421 S HN 0.295 nan 8.310 nan 0.000 0.491 422 R N 0.942 121.425 120.500 -0.029 0.000 2.083 422 R HA 0.120 4.481 4.340 0.036 0.000 0.237 422 R C 1.422 177.708 176.300 -0.024 0.000 1.137 422 R CA 1.538 57.619 56.100 -0.032 0.000 0.951 422 R CB -0.265 29.992 30.300 -0.072 0.000 0.851 422 R HN 0.449 nan 8.270 nan 0.000 0.434 423 L N -1.093 120.108 121.223 -0.036 0.000 2.857 423 L HA 0.321 4.683 4.340 0.036 0.000 0.249 423 L C 0.877 177.781 176.870 0.057 0.000 1.172 423 L CA 0.313 55.149 54.840 -0.007 0.000 0.980 423 L CB 1.148 43.194 42.059 -0.022 0.000 1.299 423 L HN 0.583 nan 8.230 nan 0.000 0.535 424 G N 0.026 108.879 108.800 0.087 0.000 2.176 424 G HA2 -0.135 3.847 3.960 0.036 0.000 0.253 424 G HA3 -0.135 3.847 3.960 0.036 0.000 0.253 424 G C 0.448 175.477 174.900 0.215 0.000 0.979 424 G CA -0.004 45.195 45.100 0.165 0.000 0.641 424 G HN 0.769 nan 8.290 nan 0.000 0.530 425 G N -1.537 107.384 108.800 0.202 0.000 2.343 425 G HA2 0.607 4.589 3.960 0.036 0.000 0.289 425 G HA3 0.607 4.589 3.960 0.036 0.000 0.289 425 G C -2.250 172.804 174.900 0.256 0.000 1.295 425 G CA 0.416 45.630 45.100 0.190 0.000 0.869 425 G HN 0.458 nan 8.290 nan 0.000 0.522 426 P HA 0.126 nan 4.420 nan 0.000 0.249 426 P C 0.243 177.543 177.300 -0.000 0.000 1.229 426 P CA 0.337 63.523 63.100 0.144 0.000 0.788 426 P CB 0.217 31.966 31.700 0.082 0.000 1.072 427 N N 0.491 119.205 118.700 0.024 0.000 2.327 427 N HA 0.060 4.822 4.740 0.036 0.000 0.231 427 N C 1.036 176.407 175.510 -0.232 0.000 1.130 427 N CA -0.194 52.769 53.050 -0.145 0.000 0.845 427 N CB -0.632 37.808 38.487 -0.078 0.000 1.073 427 N HN 0.257 nan 8.380 nan 0.000 0.496 428 F N 0.831 120.779 119.950 -0.004 0.000 2.333 428 F HA -0.109 4.449 4.527 0.053 0.000 0.300 428 F C 2.216 177.965 175.800 -0.085 0.000 1.083 428 F CA 0.845 58.813 58.000 -0.054 0.000 1.395 428 F CB -0.811 38.172 39.000 -0.029 0.000 1.056 428 F HN 0.193 nan 8.300 nan 0.000 0.529 429 H N 0.403 119.133 119.070 -0.568 0.000 2.545 429 H HA 0.046 4.623 4.556 0.034 0.000 0.282 429 H C 0.896 176.084 175.328 -0.234 0.000 1.020 429 H CA 1.377 57.188 56.048 -0.394 0.000 1.243 429 H CB -0.709 28.679 29.762 -0.625 0.000 1.377 429 H HN 0.537 nan 8.280 nan 0.000 0.581 430 E N 0.931 120.748 120.200 -0.638 0.000 2.447 430 E HA 0.169 4.541 4.350 0.036 0.000 0.195 430 E C 0.413 176.903 176.600 -0.184 0.000 1.028 430 E CA -0.287 55.873 56.400 -0.400 0.000 0.876 430 E CB 0.521 29.983 29.700 -0.395 0.000 0.885 430 E HN 0.415 nan 8.360 nan 0.000 0.500 431 I N 2.889 123.374 120.570 -0.141 0.000 2.668 431 I HA -0.075 4.117 4.170 0.036 0.000 0.285 431 I C -1.574 174.490 176.117 -0.088 0.000 1.168 431 I CA -1.187 60.059 61.300 -0.089 0.000 1.424 431 I CB 0.514 38.475 38.000 -0.064 0.000 1.377 431 I HN -0.190 nan 8.210 nan 0.000 0.560 432 P HA -0.240 nan 4.420 nan 0.000 0.216 432 P C 1.741 178.977 177.300 -0.108 0.000 1.157 432 P CA 1.253 64.301 63.100 -0.087 0.000 0.880 432 P CB 0.170 31.822 31.700 -0.080 0.000 0.791 433 I N -0.674 119.806 120.570 -0.150 0.000 2.454 433 I HA -0.195 3.997 4.170 0.036 0.000 0.254 433 I C 1.354 177.412 176.117 -0.099 0.000 1.156 433 I CA 1.705 62.873 61.300 -0.219 0.000 1.433 433 I CB -0.694 37.065 38.000 -0.402 0.000 1.082 433 I HN -0.094 nan 8.210 nan 0.000 0.432 434 N N 0.606 119.260 118.700 -0.077 0.000 2.463 434 N HA 0.026 4.788 4.740 0.036 0.000 0.181 434 N C 0.345 175.871 175.510 0.026 0.000 1.078 434 N CA 0.204 53.234 53.050 -0.033 0.000 0.902 434 N CB -0.128 38.362 38.487 0.004 0.000 0.970 434 N HN 0.369 nan 8.380 nan 0.000 0.451 435 R N 1.791 122.305 120.500 0.023 0.000 2.522 435 R HA 0.102 4.464 4.340 0.036 0.000 0.284 435 R C -2.167 174.208 176.300 0.124 0.000 1.032 435 R CA -1.050 55.070 56.100 0.033 0.000 1.049 435 R CB -0.097 30.206 30.300 0.004 0.000 0.956 435 R HN 0.072 nan 8.270 nan 0.000 0.422 436 P HA -0.012 nan 4.420 nan 0.000 0.272 436 P C 0.516 177.902 177.300 0.144 0.000 1.223 436 P CA -0.048 63.139 63.100 0.145 0.000 0.784 436 P CB 0.698 32.435 31.700 0.062 0.000 0.923 437 T N -1.959 112.695 114.554 0.167 0.000 3.051 437 T HA 0.241 4.613 4.350 0.036 0.000 0.255 437 T C 0.983 175.737 174.700 0.090 0.000 1.085 437 T CA 0.101 62.251 62.100 0.083 0.000 1.109 437 T CB -0.370 68.531 68.868 0.056 0.000 0.921 437 T HN 0.490 nan 8.240 nan 0.000 0.488 438 A N 3.023 125.911 122.820 0.113 0.000 2.448 438 A HA 0.520 4.862 4.320 0.036 0.000 0.239 438 A C -2.198 175.450 177.584 0.107 0.000 1.080 438 A CA -1.198 50.901 52.037 0.104 0.000 0.779 438 A CB -0.459 18.604 19.000 0.104 0.000 1.026 438 A HN 0.270 nan 8.150 nan 0.000 0.499 439 P HA 0.316 nan 4.420 nan 0.000 0.268 439 P C -1.075 176.295 177.300 0.116 0.000 1.205 439 P CA 0.597 63.764 63.100 0.113 0.000 0.771 439 P CB 0.176 31.991 31.700 0.190 0.000 0.858 440 Y N 0.972 121.148 120.300 -0.207 0.000 2.386 440 Y HA 0.661 5.236 4.550 0.041 0.000 0.334 440 Y C -1.422 174.129 175.900 -0.583 0.000 1.002 440 Y CA -0.919 57.039 58.100 -0.237 0.000 1.068 440 Y CB 1.413 39.769 38.460 -0.173 0.000 1.203 440 Y HN 0.429 nan 8.280 nan 0.000 0.443 441 H N 3.916 122.880 119.070 -0.176 0.000 2.947 441 H HA 0.533 5.111 4.556 0.037 0.000 0.354 441 H C -1.164 174.050 175.328 -0.189 0.000 1.085 441 H CA -0.772 55.096 56.048 -0.300 0.000 1.253 441 H CB 1.649 31.269 29.762 -0.236 0.000 1.757 441 H HN 0.897 nan 8.280 nan 0.000 0.523 442 N N 0.382 118.975 118.700 -0.177 0.000 3.449 442 N HA 0.198 4.960 4.740 0.036 0.000 0.312 442 N C -1.210 174.058 175.510 -0.403 0.000 1.557 442 N CA -0.901 51.990 53.050 -0.265 0.000 0.864 442 N CB 0.757 39.246 38.487 0.004 0.000 1.799 442 N HN 0.293 nan 8.380 nan 0.000 0.554 443 F N -0.383 119.610 119.950 0.072 0.000 2.639 443 F HA 0.382 4.930 4.527 0.035 0.000 0.302 443 F C 0.404 176.246 175.800 0.070 0.000 1.097 443 F CA -0.379 57.657 58.000 0.059 0.000 1.294 443 F CB 0.282 39.311 39.000 0.047 0.000 1.027 443 F HN 0.140 nan 8.300 nan 0.000 0.550 444 Q N 1.524 121.430 119.800 0.176 0.000 2.327 444 Q HA 0.427 4.789 4.340 0.036 0.000 0.254 444 Q C 0.048 176.125 176.000 0.127 0.000 0.952 444 Q CA -0.068 55.819 55.803 0.140 0.000 0.884 444 Q CB 1.063 29.859 28.738 0.096 0.000 1.224 444 Q HN 0.102 nan 8.270 nan 0.000 0.422 445 R N 1.573 122.139 120.500 0.111 0.000 2.799 445 R HA 0.370 4.732 4.340 0.036 0.000 0.270 445 R C -0.711 175.633 176.300 0.074 0.000 1.010 445 R CA -0.640 55.516 56.100 0.094 0.000 0.916 445 R CB 1.220 31.578 30.300 0.096 0.000 1.228 445 R HN 0.730 nan 8.270 nan 0.000 0.469 446 D N -0.256 120.180 120.400 0.060 0.000 3.455 446 D HA -0.159 4.503 4.640 0.036 0.000 0.216 446 D C 0.326 176.649 176.300 0.039 0.000 1.510 446 D CA 1.893 55.918 54.000 0.041 0.000 1.128 446 D CB -1.100 39.722 40.800 0.037 0.000 0.680 446 D HN 0.906 nan 8.370 nan 0.000 0.828 447 G N -1.223 107.592 108.800 0.026 0.000 2.712 447 G HA2 0.190 4.172 3.960 0.036 0.000 0.686 447 G HA3 0.190 4.172 3.960 0.036 0.000 0.686 447 G C -0.209 174.686 174.900 -0.009 0.000 1.321 447 G CA 0.096 45.209 45.100 0.022 0.000 0.813 447 G HN 0.785 nan 8.290 nan 0.000 0.599 448 M N 1.354 120.930 119.600 -0.039 0.000 2.252 448 M HA 0.431 4.933 4.480 0.036 0.000 0.329 448 M C 1.318 177.538 176.300 -0.132 0.000 1.101 448 M CA 1.355 56.546 55.300 -0.183 0.000 1.117 448 M CB -0.708 31.735 32.600 -0.262 0.000 1.563 448 M HN 1.298 nan 8.290 nan 0.000 0.445 449 H N -0.675 118.399 119.070 0.006 0.000 2.839 449 H HA -0.178 4.398 4.556 0.034 0.000 0.298 449 H C -0.473 174.844 175.328 -0.018 0.000 1.224 449 H CA 0.655 56.702 56.048 -0.002 0.000 1.144 449 H CB -1.660 28.103 29.762 0.002 0.000 1.372 449 H HN 0.551 nan 8.280 nan 0.000 0.408 450 R N 1.335 121.863 120.500 0.046 0.000 2.296 450 R HA 0.144 4.505 4.340 0.036 0.000 0.323 450 R C 0.917 177.229 176.300 0.020 0.000 1.067 450 R CA -0.121 55.994 56.100 0.026 0.000 0.946 450 R CB 0.359 30.671 30.300 0.021 0.000 0.991 450 R HN 0.270 nan 8.270 nan 0.000 0.448 451 M N 2.514 122.115 119.600 0.001 0.000 2.412 451 M HA 0.216 4.717 4.480 0.036 0.000 0.263 451 M C 0.968 177.265 176.300 -0.005 0.000 1.122 451 M CA 0.986 56.283 55.300 -0.005 0.000 1.179 451 M CB -0.852 31.732 32.600 -0.026 0.000 1.335 451 M HN 0.699 nan 8.290 nan 0.000 0.465 452 G N 1.980 110.779 108.800 -0.002 0.000 2.340 452 G HA2 0.378 4.360 3.960 0.036 0.000 0.245 452 G HA3 0.378 4.360 3.960 0.036 0.000 0.245 452 G C -0.400 174.498 174.900 -0.002 0.000 1.294 452 G CA -0.341 44.757 45.100 -0.005 0.000 0.896 452 G HN 0.322 nan 8.290 nan 0.000 0.522 453 I N 2.778 123.341 120.570 -0.013 0.000 2.330 453 I HA 0.124 4.316 4.170 0.036 0.000 0.286 453 I C -0.351 175.760 176.117 -0.010 0.000 1.025 453 I CA -0.575 60.722 61.300 -0.005 0.000 1.197 453 I CB 1.161 39.159 38.000 -0.004 0.000 1.358 453 I HN 0.346 nan 8.210 nan 0.000 0.467 454 D N 4.714 125.114 120.400 -0.001 0.000 2.308 454 D HA 0.093 4.755 4.640 0.036 0.000 0.251 454 D C 1.153 177.457 176.300 0.007 0.000 1.127 454 D CA 0.175 54.172 54.000 -0.005 0.000 0.876 454 D CB 1.931 42.736 40.800 0.008 0.000 1.176 454 D HN 0.570 nan 8.370 nan 0.000 0.446 455 T N -0.811 113.743 114.554 -0.001 0.000 3.086 455 T HA -0.050 4.321 4.350 0.036 0.000 0.250 455 T C 0.824 175.534 174.700 0.017 0.000 1.074 455 T CA -0.527 61.577 62.100 0.006 0.000 0.988 455 T CB 0.142 69.007 68.868 -0.006 0.000 0.988 455 T HN 0.110 nan 8.240 nan 0.000 0.530 456 N N 3.330 122.043 118.700 0.021 0.000 2.411 456 N HA 0.101 4.863 4.740 0.036 0.000 0.265 456 N C -1.649 173.902 175.510 0.069 0.000 1.266 456 N CA -1.571 51.506 53.050 0.044 0.000 0.889 456 N CB 1.447 39.963 38.487 0.049 0.000 1.069 456 N HN 0.058 nan 8.380 nan 0.000 0.476 457 P HA -0.050 nan 4.420 nan 0.000 0.218 457 P C -0.542 176.818 177.300 0.101 0.000 1.146 457 P CA 1.020 64.166 63.100 0.077 0.000 0.813 457 P CB 0.197 31.938 31.700 0.067 0.000 0.778 458 A N 0.535 123.402 122.820 0.079 0.000 2.312 458 A HA 0.410 4.752 4.320 0.036 0.000 0.326 458 A C 0.454 178.130 177.584 0.154 0.000 1.172 458 A CA -0.649 51.378 52.037 -0.017 0.000 0.821 458 A CB 0.031 18.823 19.000 -0.347 0.000 1.166 458 A HN 0.281 nan 8.150 nan 0.000 0.493 459 N N 0.213 119.035 118.700 0.203 0.000 2.351 459 N HA 0.371 5.133 4.740 0.036 0.000 0.254 459 N C -0.879 174.774 175.510 0.239 0.000 1.241 459 N CA -0.374 52.880 53.050 0.340 0.000 0.883 459 N CB 0.308 38.956 38.487 0.269 0.000 1.202 459 N HN 0.684 nan 8.380 nan 0.000 0.512 460 Y N -1.144 119.002 120.300 -0.255 0.000 2.638 460 Y HA 0.673 5.245 4.550 0.035 0.000 0.335 460 Y C -1.506 173.777 175.900 -1.029 0.000 1.155 460 Y CA -1.376 56.417 58.100 -0.512 0.000 1.046 460 Y CB 0.985 39.312 38.460 -0.221 0.000 1.303 460 Y HN 0.083 nan 8.280 nan 0.000 0.460 461 E N 0.681 120.405 120.200 -0.793 0.000 2.356 461 E HA 0.652 5.024 4.350 0.036 0.000 0.275 461 E C -3.189 173.305 176.600 -0.177 0.000 0.904 461 E CA -2.078 53.960 56.400 -0.603 0.000 0.757 461 E CB 1.719 31.025 29.700 -0.656 0.000 1.232 461 E HN 0.556 nan 8.360 nan 0.000 0.442 462 P HA 0.269 nan 4.420 nan 0.000 0.275 462 P C -1.274 175.985 177.300 -0.069 0.000 1.227 462 P CA -0.439 62.597 63.100 -0.106 0.000 0.781 462 P CB 0.522 32.193 31.700 -0.049 0.000 0.906 463 N N -1.219 117.368 118.700 -0.188 0.000 2.262 463 N HA 0.345 5.107 4.740 0.036 0.000 0.295 463 N C 0.382 175.850 175.510 -0.070 0.000 1.161 463 N CA -0.760 52.192 53.050 -0.163 0.000 0.767 463 N CB 1.465 39.559 38.487 -0.656 0.000 1.499 463 N HN 0.195 nan 8.380 nan 0.000 0.476 464 S N 0.620 116.324 115.700 0.006 0.000 2.497 464 S HA -0.015 4.477 4.470 0.036 0.000 0.221 464 S C 1.584 176.199 174.600 0.024 0.000 1.037 464 S CA 0.072 58.278 58.200 0.010 0.000 0.920 464 S CB -0.810 62.407 63.200 0.029 0.000 0.800 464 S HN 0.708 nan 8.310 nan 0.000 0.505 465 I N -0.610 119.982 120.570 0.038 0.000 2.756 465 I HA 0.195 4.387 4.170 0.036 0.000 0.262 465 I C 1.249 177.398 176.117 0.053 0.000 1.225 465 I CA 1.304 62.636 61.300 0.054 0.000 1.472 465 I CB -0.410 37.640 38.000 0.084 0.000 1.094 465 I HN 0.192 nan 8.210 nan 0.000 0.454 466 N N 1.178 119.906 118.700 0.047 0.000 2.365 466 N HA 0.043 4.805 4.740 0.036 0.000 0.257 466 N C -0.106 175.515 175.510 0.184 0.000 1.287 466 N CA -0.089 53.031 53.050 0.117 0.000 0.882 466 N CB -0.019 38.548 38.487 0.133 0.000 1.250 466 N HN 0.187 nan 8.380 nan 0.000 0.507 467 D N 0.855 121.313 120.400 0.096 0.000 2.737 467 D HA -0.263 4.399 4.640 0.036 0.000 0.233 467 D C 0.006 176.199 176.300 -0.180 0.000 1.155 467 D CA 1.147 55.164 54.000 0.029 0.000 0.667 467 D CB -1.278 39.618 40.800 0.160 0.000 1.060 467 D HN 0.509 nan 8.370 nan 0.000 0.427 468 N N -1.775 116.850 118.700 -0.126 0.000 2.828 468 N HA -0.248 4.514 4.740 0.036 0.000 0.248 468 N C -0.742 174.688 175.510 -0.133 0.000 1.044 468 N CA 1.408 54.352 53.050 -0.176 0.000 0.851 468 N CB -1.323 37.016 38.487 -0.247 0.000 1.136 468 N HN 0.536 nan 8.380 nan 0.000 0.572 469 W N 1.195 122.549 121.300 0.090 0.000 2.313 469 W HA 0.420 5.101 4.660 0.035 0.000 0.328 469 W C -1.609 174.962 176.519 0.087 0.000 1.197 469 W CA -1.553 55.826 57.345 0.056 0.000 1.235 469 W CB 0.452 29.897 29.460 -0.026 0.000 1.158 469 W HN -0.029 nan 8.180 nan 0.000 0.578 470 P HA 0.181 nan 4.420 nan 0.000 0.275 470 P C -0.749 176.677 177.300 0.210 0.000 1.228 470 P CA -0.103 63.139 63.100 0.236 0.000 0.786 470 P CB 0.958 32.644 31.700 -0.024 0.000 0.927 471 R N 1.273 121.871 120.500 0.164 0.000 2.604 471 R HA 0.305 4.667 4.340 0.036 0.000 0.287 471 R C 0.357 176.683 176.300 0.044 0.000 0.970 471 R CA -0.812 55.261 56.100 -0.046 0.000 0.946 471 R CB 1.060 31.104 30.300 -0.427 0.000 1.127 471 R HN 0.486 nan 8.270 nan 0.000 0.473 472 E N 0.794 121.013 120.200 0.032 0.000 2.459 472 E HA -0.026 4.346 4.350 0.036 0.000 0.264 472 E C -0.519 176.101 176.600 0.033 0.000 1.055 472 E CA 0.810 57.238 56.400 0.047 0.000 0.957 472 E CB 0.509 30.228 29.700 0.032 0.000 0.952 472 E HN 0.369 nan 8.360 nan 0.000 0.448 473 T N 3.597 118.183 114.554 0.053 0.000 2.881 473 T HA 0.325 4.697 4.350 0.036 0.000 0.291 473 T C -2.441 172.282 174.700 0.038 0.000 0.990 473 T CA -1.531 60.599 62.100 0.049 0.000 0.976 473 T CB 1.478 70.388 68.868 0.069 0.000 0.970 473 T HN 0.227 nan 8.240 nan 0.000 0.438 474 P HA 0.181 nan 4.420 nan 0.000 0.267 474 P C -2.328 174.975 177.300 0.006 0.000 1.200 474 P CA -1.032 62.074 63.100 0.010 0.000 0.772 474 P CB -0.230 31.471 31.700 0.002 0.000 0.855 475 P HA 0.212 nan 4.420 nan 0.000 0.268 475 P C -0.043 177.242 177.300 -0.026 0.000 1.208 475 P CA 0.415 63.495 63.100 -0.033 0.000 0.777 475 P CB 0.683 32.341 31.700 -0.071 0.000 0.875 476 G N 1.008 109.791 108.800 -0.027 0.000 2.495 476 G HA2 0.388 4.370 3.960 0.036 0.000 0.294 476 G HA3 0.388 4.370 3.960 0.036 0.000 0.294 476 G C -2.547 172.341 174.900 -0.021 0.000 1.397 476 G CA -0.736 44.353 45.100 -0.019 0.000 0.790 476 G HN 0.176 nan 8.290 nan 0.000 0.486 477 P HA 0.066 nan 4.420 nan 0.000 0.221 477 P C 0.250 177.544 177.300 -0.009 0.000 1.150 477 P CA 1.151 64.240 63.100 -0.017 0.000 0.800 477 P CB 0.400 32.093 31.700 -0.012 0.000 0.787 478 K N -1.045 119.356 120.400 0.002 0.000 2.557 478 K HA 0.319 4.661 4.320 0.036 0.000 0.257 478 K C -0.251 176.365 176.600 0.025 0.000 0.933 478 K CA -0.696 55.600 56.287 0.015 0.000 0.820 478 K CB 1.181 33.691 32.500 0.016 0.000 1.330 478 K HN -0.378 nan 8.250 nan 0.000 0.432 479 R N 0.158 120.681 120.500 0.038 0.000 3.758 479 R HA -0.142 4.219 4.340 0.036 0.000 0.299 479 R C -0.133 176.197 176.300 0.049 0.000 1.182 479 R CA 1.090 57.220 56.100 0.050 0.000 0.809 479 R CB -2.356 27.973 30.300 0.049 0.000 1.249 479 R HN 0.852 nan 8.270 nan 0.000 0.497 480 G N -0.895 107.929 108.800 0.040 0.000 2.488 480 G HA2 0.640 4.622 3.960 0.036 0.000 0.318 480 G HA3 0.640 4.622 3.960 0.036 0.000 0.318 480 G C 0.331 175.264 174.900 0.054 0.000 1.188 480 G CA 0.061 45.182 45.100 0.036 0.000 0.944 480 G HN 0.255 nan 8.290 nan 0.000 0.495 481 G N -1.344 107.489 108.800 0.055 0.000 2.572 481 G HA2 0.418 4.400 3.960 0.036 0.000 0.261 481 G HA3 0.418 4.400 3.960 0.036 0.000 0.261 481 G C -0.788 174.166 174.900 0.091 0.000 1.197 481 G CA -0.560 44.596 45.100 0.094 0.000 0.870 481 G HN 0.448 nan 8.290 nan 0.000 0.548 482 F N 0.395 120.359 119.950 0.024 0.000 2.438 482 F HA 0.405 4.957 4.527 0.042 0.000 0.356 482 F C 0.498 176.312 175.800 0.023 0.000 1.099 482 F CA -0.356 57.654 58.000 0.016 0.000 1.185 482 F CB 0.943 39.955 39.000 0.021 0.000 1.115 482 F HN 0.436 nan 8.300 nan 0.000 0.526 483 E N 4.216 124.053 120.200 -0.605 0.000 2.234 483 E HA 0.315 4.687 4.350 0.036 0.000 0.266 483 E C -1.102 175.158 176.600 -0.566 0.000 0.877 483 E CA -0.780 55.411 56.400 -0.348 0.000 0.758 483 E CB 1.502 31.087 29.700 -0.190 0.000 1.170 483 E HN 0.614 nan 8.360 nan 0.000 0.415 484 S N 2.721 118.318 115.700 -0.171 0.000 2.562 484 S HA -0.011 4.481 4.470 0.036 0.000 0.281 484 S C -0.521 174.060 174.600 -0.031 0.000 1.333 484 S CA -0.309 57.882 58.200 -0.014 0.000 1.052 484 S CB 0.098 63.422 63.200 0.208 0.000 0.884 484 S HN 0.471 nan 8.310 nan 0.000 0.506 485 Y N 2.707 122.941 120.300 -0.111 0.000 2.717 485 Y HA -0.032 4.539 4.550 0.035 0.000 0.330 485 Y C 0.894 176.776 175.900 -0.031 0.000 1.217 485 Y CA 0.234 58.282 58.100 -0.087 0.000 1.506 485 Y CB 0.179 38.587 38.460 -0.086 0.000 1.268 485 Y HN 0.587 nan 8.280 nan 0.000 0.561 486 Q N 5.316 124.693 119.800 -0.704 0.000 3.247 486 Q HA 0.030 4.392 4.340 0.036 0.000 0.326 486 Q C -0.210 175.503 176.000 -0.478 0.000 1.402 486 Q CA -0.097 55.446 55.803 -0.433 0.000 0.994 486 Q CB -0.133 28.418 28.738 -0.312 0.000 1.647 486 Q HN 0.653 nan 8.270 nan 0.000 0.523 487 E N 1.399 121.402 120.200 -0.328 0.000 2.413 487 E HA 0.016 4.388 4.350 0.036 0.000 0.263 487 E C -0.259 176.320 176.600 -0.035 0.000 1.015 487 E CA -0.428 55.916 56.400 -0.093 0.000 0.916 487 E CB 0.671 30.464 29.700 0.156 0.000 0.947 487 E HN 0.125 nan 8.360 nan 0.000 0.440 488 R N 2.879 123.381 120.500 0.003 0.000 2.390 488 R HA 0.253 4.615 4.340 0.036 0.000 0.291 488 R C -1.470 174.857 176.300 0.045 0.000 1.070 488 R CA -0.289 55.819 56.100 0.013 0.000 1.014 488 R CB 1.004 31.317 30.300 0.022 0.000 1.007 488 R HN 0.296 nan 8.270 nan 0.000 0.466 489 V N 4.763 124.696 119.914 0.032 0.000 2.444 489 V HA 0.422 4.564 4.120 0.036 0.000 0.294 489 V C -0.573 175.536 176.094 0.026 0.000 1.022 489 V CA -0.593 61.729 62.300 0.038 0.000 0.850 489 V CB 1.606 33.448 31.823 0.033 0.000 0.992 489 V HN 0.822 nan 8.190 nan 0.000 0.426 490 E N 2.879 123.096 120.200 0.028 0.000 2.281 490 E HA 0.704 5.076 4.350 0.036 0.000 0.266 490 E C -0.110 176.497 176.600 0.012 0.000 0.893 490 E CA -0.415 55.995 56.400 0.016 0.000 0.798 490 E CB 2.392 32.102 29.700 0.016 0.000 1.245 490 E HN 0.974 nan 8.360 nan 0.000 0.410 491 G N 2.437 111.240 108.800 0.004 0.000 2.313 491 G HA2 0.137 4.119 3.960 0.036 0.000 0.296 491 G HA3 0.137 4.119 3.960 0.036 0.000 0.296 491 G C -1.459 173.437 174.900 -0.008 0.000 1.356 491 G CA -1.012 44.086 45.100 -0.003 0.000 0.833 491 G HN 0.359 nan 8.290 nan 0.000 0.552 492 N N -0.036 118.656 118.700 -0.014 0.000 2.476 492 N HA 0.450 5.212 4.740 0.036 0.000 0.275 492 N C -0.239 175.258 175.510 -0.021 0.000 1.190 492 N CA -0.550 52.491 53.050 -0.016 0.000 0.977 492 N CB 0.950 39.426 38.487 -0.017 0.000 1.200 492 N HN 0.413 nan 8.380 nan 0.000 0.515 493 K N 1.065 121.452 120.400 -0.021 0.000 2.336 493 K HA 0.197 4.539 4.320 0.036 0.000 0.290 493 K C -0.734 175.845 176.600 -0.035 0.000 1.067 493 K CA -0.194 56.077 56.287 -0.027 0.000 0.962 493 K CB -0.241 32.244 32.500 -0.025 0.000 1.008 493 K HN 0.369 nan 8.250 nan 0.000 0.467 494 V N 0.316 120.204 119.914 -0.043 0.000 2.876 494 V HA 0.486 4.628 4.120 0.036 0.000 0.312 494 V C -0.501 175.553 176.094 -0.066 0.000 1.085 494 V CA -1.349 60.921 62.300 -0.050 0.000 0.945 494 V CB 2.026 33.821 31.823 -0.047 0.000 1.017 494 V HN 0.609 nan 8.190 nan 0.000 0.428 495 R N 2.419 122.876 120.500 -0.072 0.000 2.369 495 R HA 0.587 4.949 4.340 0.036 0.000 0.310 495 R C -0.470 175.783 176.300 -0.079 0.000 1.141 495 R CA -0.109 55.936 56.100 -0.092 0.000 1.116 495 R CB 0.663 30.895 30.300 -0.112 0.000 1.135 495 R HN 0.944 nan 8.270 nan 0.000 0.529 496 E N 2.212 122.362 120.200 -0.084 0.000 2.321 496 E HA 0.208 4.580 4.350 0.036 0.000 0.281 496 E C -1.314 175.219 176.600 -0.112 0.000 0.910 496 E CA -0.978 55.374 56.400 -0.078 0.000 0.770 496 E CB 1.533 31.194 29.700 -0.066 0.000 1.225 496 E HN 0.143 nan 8.360 nan 0.000 0.417 497 R N 1.773 122.210 120.500 -0.105 0.000 2.438 497 R HA 0.230 4.592 4.340 0.036 0.000 0.287 497 R C -0.506 175.675 176.300 -0.198 0.000 1.077 497 R CA 0.057 56.054 56.100 -0.172 0.000 1.034 497 R CB 1.256 31.512 30.300 -0.072 0.000 0.993 497 R HN 0.407 nan 8.270 nan 0.000 0.459 498 S N 4.771 120.240 115.700 -0.387 0.000 2.537 498 S HA 0.114 4.605 4.470 0.036 0.000 0.286 498 S C -1.534 173.040 174.600 -0.044 0.000 1.299 498 S CA -1.219 56.843 58.200 -0.231 0.000 1.067 498 S CB 0.681 63.693 63.200 -0.313 0.000 0.864 498 S HN 0.542 nan 8.310 nan 0.000 0.494 499 P HA -0.152 nan 4.420 nan 0.000 0.217 499 P C 1.665 179.018 177.300 0.088 0.000 1.151 499 P CA 1.585 64.707 63.100 0.037 0.000 0.849 499 P CB -0.123 31.589 31.700 0.020 0.000 0.787 500 S N -1.887 113.902 115.700 0.148 0.000 2.440 500 S HA -0.165 4.327 4.470 0.036 0.000 0.238 500 S C 1.525 176.297 174.600 0.285 0.000 1.010 500 S CA 1.037 59.360 58.200 0.206 0.000 0.972 500 S CB -1.533 61.822 63.200 0.258 0.000 0.774 500 S HN -0.017 nan 8.310 nan 0.000 0.501 501 F N 2.318 122.260 119.950 -0.012 0.000 2.802 501 F HA 0.345 4.892 4.527 0.033 0.000 0.300 501 F C 2.105 177.839 175.800 -0.111 0.000 1.168 501 F CA -0.617 57.371 58.000 -0.019 0.000 1.433 501 F CB -0.845 38.176 39.000 0.035 0.000 1.115 501 F HN 0.379 nan 8.300 nan 0.000 0.582 502 G N -0.082 108.714 108.800 -0.008 0.000 3.424 502 G HA2 0.025 4.007 3.960 0.036 0.000 0.263 502 G HA3 0.025 4.007 3.960 0.036 0.000 0.263 502 G C 0.141 174.588 174.900 -0.755 0.000 1.310 502 G CA 0.080 45.008 45.100 -0.286 0.000 1.089 502 G HN 0.074 nan 8.290 nan 0.000 0.534 503 E N -0.089 119.656 120.200 -0.759 0.000 2.234 503 E HA 0.389 4.761 4.350 0.036 0.000 0.266 503 E C -0.834 175.344 176.600 -0.704 0.000 0.877 503 E CA -0.802 55.179 56.400 -0.698 0.000 0.758 503 E CB 1.612 31.156 29.700 -0.259 0.000 1.170 503 E HN 0.185 nan 8.360 nan 0.000 0.415 504 Y N 2.466 122.560 120.300 -0.344 0.000 2.499 504 Y HA 0.194 4.766 4.550 0.036 0.000 0.253 504 Y C 0.624 176.271 175.900 -0.422 0.000 1.105 504 Y CA -0.168 57.643 58.100 -0.481 0.000 1.240 504 Y CB 0.385 38.398 38.460 -0.745 0.000 1.289 504 Y HN 0.421 nan 8.280 nan 0.000 0.534 505 Y N -1.277 119.102 120.300 0.132 0.000 2.483 505 Y HA 0.096 4.669 4.550 0.038 0.000 0.258 505 Y C 2.391 178.347 175.900 0.094 0.000 1.083 505 Y CA 0.172 58.344 58.100 0.120 0.000 1.283 505 Y CB -0.313 38.224 38.460 0.127 0.000 1.178 505 Y HN 0.049 nan 8.280 nan 0.000 0.515 506 S N -0.585 115.244 115.700 0.216 0.000 2.382 506 S HA -0.206 4.286 4.470 0.036 0.000 0.228 506 S C 1.426 176.108 174.600 0.138 0.000 1.027 506 S CA 1.745 60.057 58.200 0.186 0.000 0.991 506 S CB -0.539 62.778 63.200 0.195 0.000 0.823 506 S HN 0.430 nan 8.310 nan 0.000 0.469 507 H N 2.592 121.576 119.070 -0.144 0.000 2.372 507 H HA 0.231 4.810 4.556 0.037 0.000 0.301 507 H C -0.618 174.519 175.328 -0.319 0.000 1.065 507 H CA 0.898 56.714 56.048 -0.386 0.000 1.364 507 H CB -1.737 27.561 29.762 -0.773 0.000 1.406 507 H HN 0.367 nan 8.280 nan 0.000 0.521 508 P HA -0.186 nan 4.420 nan 0.000 0.216 508 P C 1.544 179.021 177.300 0.295 0.000 1.153 508 P CA 1.784 65.027 63.100 0.238 0.000 0.858 508 P CB 0.112 31.973 31.700 0.268 0.000 0.789 509 R N -0.457 120.169 120.500 0.210 0.000 2.066 509 R HA -0.128 4.234 4.340 0.036 0.000 0.232 509 R C 2.163 178.593 176.300 0.217 0.000 1.131 509 R CA 1.233 57.463 56.100 0.217 0.000 0.955 509 R CB -1.126 29.265 30.300 0.152 0.000 0.851 509 R HN 0.055 nan 8.270 nan 0.000 0.432 510 L N 0.549 121.841 121.223 0.115 0.000 2.042 510 L HA -0.147 4.215 4.340 0.036 0.000 0.210 510 L C 1.970 178.898 176.870 0.098 0.000 1.076 510 L CA 1.747 56.617 54.840 0.049 0.000 0.749 510 L CB -0.711 41.301 42.059 -0.078 0.000 0.893 510 L HN 0.261 nan 8.230 nan 0.000 0.432 511 F N -0.863 119.116 119.950 0.049 0.000 2.113 511 F HA -0.247 4.304 4.527 0.039 0.000 0.297 511 F C 2.324 178.136 175.800 0.019 0.000 1.103 511 F CA 2.024 60.041 58.000 0.028 0.000 1.248 511 F CB -0.646 38.416 39.000 0.103 0.000 0.999 511 F HN 0.372 nan 8.300 nan 0.000 0.475 512 W N 1.476 122.788 121.300 0.020 0.000 2.317 512 W HA -0.265 4.416 4.660 0.036 0.000 0.318 512 W C 1.726 178.129 176.519 -0.192 0.000 1.227 512 W CA 1.895 59.191 57.345 -0.082 0.000 1.269 512 W CB -0.777 28.715 29.460 0.054 0.000 1.155 512 W HN 0.084 nan 8.180 nan 0.000 0.484 513 L N 1.144 122.312 121.223 -0.091 0.000 2.362 513 L HA -0.155 4.207 4.340 0.036 0.000 0.219 513 L C 2.309 178.996 176.870 -0.304 0.000 1.134 513 L CA 1.053 55.762 54.840 -0.219 0.000 0.807 513 L CB -0.624 41.422 42.059 -0.021 0.000 0.927 513 L HN -0.113 nan 8.230 nan 0.000 0.447 514 S N -1.459 114.040 115.700 -0.334 0.000 2.558 514 S HA 0.045 4.537 4.470 0.036 0.000 0.217 514 S C 0.712 175.033 174.600 -0.465 0.000 0.975 514 S CA 0.088 58.084 58.200 -0.340 0.000 0.912 514 S CB 0.038 63.066 63.200 -0.286 0.000 0.776 514 S HN 0.294 nan 8.310 nan 0.000 0.526 515 Q N 2.280 121.705 119.800 -0.626 0.000 2.259 515 Q HA 0.284 4.646 4.340 0.036 0.000 0.246 515 Q C 0.654 176.270 176.000 -0.641 0.000 0.920 515 Q CA -0.108 55.286 55.803 -0.682 0.000 0.895 515 Q CB 0.535 28.806 28.738 -0.778 0.000 1.220 515 Q HN 0.436 nan 8.270 nan 0.000 0.439 516 T N -1.475 112.658 114.554 -0.701 0.000 2.748 516 T HA 0.124 4.496 4.350 0.036 0.000 0.304 516 T C -1.713 172.518 174.700 -0.781 0.000 1.041 516 T CA -1.151 60.480 62.100 -0.781 0.000 1.033 516 T CB 0.235 68.353 68.868 -1.250 0.000 0.995 516 T HN 0.235 nan 8.240 nan 0.000 0.536 517 P HA 0.012 nan 4.420 nan 0.000 0.217 517 P C 1.436 178.526 177.300 -0.350 0.000 1.150 517 P CA 0.975 63.848 63.100 -0.379 0.000 0.832 517 P CB -0.241 31.355 31.700 -0.172 0.000 0.787 518 F N 0.049 119.809 119.950 -0.317 0.000 2.186 518 F HA 0.000 4.549 4.527 0.036 0.000 0.299 518 F C 1.801 177.235 175.800 -0.610 0.000 1.090 518 F CA 0.940 58.682 58.000 -0.430 0.000 1.307 518 F CB -1.609 37.136 39.000 -0.425 0.000 1.019 518 F HN -0.104 nan 8.300 nan 0.000 0.489 519 E N 0.597 120.265 120.200 -0.887 0.000 2.110 519 E HA -0.225 4.147 4.350 0.036 0.000 0.193 519 E C 2.218 178.631 176.600 -0.312 0.000 0.988 519 E CA 1.512 57.611 56.400 -0.501 0.000 0.804 519 E CB -0.318 29.038 29.700 -0.574 0.000 0.745 519 E HN 0.637 nan 8.360 nan 0.000 0.458 520 Q N 0.386 119.912 119.800 -0.455 0.000 2.061 520 Q HA -0.202 4.160 4.340 0.036 0.000 0.204 520 Q C 2.279 178.307 176.000 0.047 0.000 0.984 520 Q CA 1.303 56.871 55.803 -0.392 0.000 0.846 520 Q CB -0.178 28.038 28.738 -0.870 0.000 0.902 520 Q HN 0.118 nan 8.270 nan 0.000 0.421 521 R N 0.031 120.536 120.500 0.009 0.000 2.091 521 R HA -0.188 4.174 4.340 0.036 0.000 0.238 521 R C 1.874 178.362 176.300 0.313 0.000 1.136 521 R CA 1.781 57.981 56.100 0.168 0.000 0.959 521 R CB -0.153 30.227 30.300 0.134 0.000 0.856 521 R HN 0.483 nan 8.270 nan 0.000 0.437 522 H N -0.732 118.433 119.070 0.157 0.000 2.423 522 H HA -0.067 4.511 4.556 0.036 0.000 0.297 522 H C 2.136 177.576 175.328 0.186 0.000 1.075 522 H CA 1.188 57.342 56.048 0.175 0.000 1.342 522 H CB 0.054 29.925 29.762 0.181 0.000 1.395 522 H HN 0.240 nan 8.280 nan 0.000 0.530 523 I N 0.161 120.944 120.570 0.356 0.000 2.202 523 I HA -0.242 3.949 4.170 0.036 0.000 0.242 523 I C 2.298 178.690 176.117 0.459 0.000 1.091 523 I CA 0.722 62.260 61.300 0.398 0.000 1.368 523 I CB -0.111 38.221 38.000 0.554 0.000 1.058 523 I HN 0.079 nan 8.210 nan 0.000 0.410 524 V N 0.943 121.123 119.914 0.444 0.000 2.332 524 V HA -0.308 3.834 4.120 0.036 0.000 0.248 524 V C 2.043 178.305 176.094 0.280 0.000 1.055 524 V CA 2.066 64.578 62.300 0.354 0.000 1.038 524 V CB -0.679 31.315 31.823 0.285 0.000 0.651 524 V HN 0.422 nan 8.190 nan 0.000 0.450 525 D N 0.455 121.005 120.400 0.251 0.000 2.144 525 D HA -0.102 4.560 4.640 0.036 0.000 0.199 525 D C 2.172 178.547 176.300 0.125 0.000 0.984 525 D CA 1.571 55.685 54.000 0.190 0.000 0.834 525 D CB -0.589 40.323 40.800 0.187 0.000 0.955 525 D HN 0.482 nan 8.370 nan 0.000 0.465 526 G N 0.196 109.046 108.800 0.083 0.000 2.433 526 G HA2 -0.242 3.740 3.960 0.036 0.000 0.216 526 G HA3 -0.242 3.740 3.960 0.036 0.000 0.216 526 G C 1.466 176.367 174.900 0.002 0.000 1.186 526 G CA 0.191 45.251 45.100 -0.067 0.000 0.779 526 G HN 0.161 nan 8.290 nan 0.000 0.543 527 F N 1.812 121.800 119.950 0.063 0.000 2.126 527 F HA -0.099 4.450 4.527 0.036 0.000 0.299 527 F C 3.170 178.887 175.800 -0.138 0.000 1.096 527 F CA 1.605 59.572 58.000 -0.055 0.000 1.255 527 F CB -0.372 38.598 39.000 -0.051 0.000 0.997 527 F HN 0.083 nan 8.300 nan 0.000 0.479 528 S N -0.093 115.696 115.700 0.149 0.000 2.356 528 S HA -0.221 4.271 4.470 0.036 0.000 0.223 528 S C 1.883 176.499 174.600 0.027 0.000 1.032 528 S CA 1.378 59.615 58.200 0.062 0.000 1.005 528 S CB -0.813 62.449 63.200 0.103 0.000 0.867 528 S HN 0.396 nan 8.310 nan 0.000 0.449 529 F N 2.538 122.447 119.950 -0.068 0.000 2.102 529 F HA -0.131 4.417 4.527 0.035 0.000 0.298 529 F C 2.374 178.115 175.800 -0.099 0.000 1.105 529 F CA 1.592 59.542 58.000 -0.084 0.000 1.239 529 F CB -0.288 38.602 39.000 -0.184 0.000 0.991 529 F HN 0.155 nan 8.300 nan 0.000 0.474 530 E N 0.445 120.635 120.200 -0.017 0.000 2.077 530 E HA -0.207 4.165 4.350 0.036 0.000 0.193 530 E C 2.340 178.767 176.600 -0.288 0.000 0.989 530 E CA 1.565 57.927 56.400 -0.064 0.000 0.800 530 E CB -0.468 29.349 29.700 0.194 0.000 0.746 530 E HN 0.478 nan 8.360 nan 0.000 0.452 531 L N 1.277 122.247 121.223 -0.422 0.000 2.291 531 L HA -0.101 4.260 4.340 0.036 0.000 0.214 531 L C 2.658 179.363 176.870 -0.276 0.000 1.120 531 L CA 0.893 55.447 54.840 -0.475 0.000 0.799 531 L CB -0.323 41.457 42.059 -0.466 0.000 0.925 531 L HN 0.130 nan 8.230 nan 0.000 0.446 532 S N -0.724 114.824 115.700 -0.252 0.000 2.474 532 S HA -0.095 4.397 4.470 0.036 0.000 0.235 532 S C 1.738 176.218 174.600 -0.200 0.000 0.997 532 S CA 0.577 58.653 58.200 -0.206 0.000 0.949 532 S CB -0.060 63.016 63.200 -0.207 0.000 0.766 532 S HN 0.247 nan 8.310 nan 0.000 0.517 533 K N 1.203 121.465 120.400 -0.230 0.000 2.404 533 K HA 0.351 4.693 4.320 0.036 0.000 0.194 533 K C -0.110 176.487 176.600 -0.004 0.000 1.023 533 K CA -0.027 56.186 56.287 -0.124 0.000 1.094 533 K CB 0.100 32.518 32.500 -0.136 0.000 0.841 533 K HN 0.315 nan 8.250 nan 0.000 0.523 534 V N 2.127 122.019 119.914 -0.037 0.000 2.408 534 V HA 0.017 4.159 4.120 0.036 0.000 0.267 534 V C 1.645 177.725 176.094 -0.023 0.000 1.047 534 V CA -0.081 62.223 62.300 0.006 0.000 0.937 534 V CB 1.389 33.183 31.823 -0.048 0.000 0.999 534 V HN -0.131 nan 8.190 nan 0.000 0.472 535 V N 5.146 125.068 119.914 0.012 0.000 2.488 535 V HA 0.006 4.148 4.120 0.036 0.000 0.246 535 V C 1.353 177.433 176.094 -0.024 0.000 1.046 535 V CA 1.056 63.359 62.300 0.005 0.000 1.053 535 V CB -0.400 31.443 31.823 0.033 0.000 0.679 535 V HN 0.742 nan 8.190 nan 0.000 0.458 536 R N 1.052 121.516 120.500 -0.061 0.000 2.288 536 R HA 0.143 4.505 4.340 0.036 0.000 0.330 536 R C -1.757 174.425 176.300 -0.197 0.000 1.069 536 R CA -1.212 54.820 56.100 -0.113 0.000 0.941 536 R CB 0.596 30.765 30.300 -0.217 0.000 0.998 536 R HN 0.261 nan 8.270 nan 0.000 0.452 537 P HA -0.136 nan 4.420 nan 0.000 0.225 537 P C 0.574 177.829 177.300 -0.076 0.000 1.156 537 P CA 0.853 63.914 63.100 -0.065 0.000 0.787 537 P CB 0.056 31.757 31.700 0.003 0.000 0.802 538 Y N -1.343 118.956 120.300 -0.002 0.000 2.333 538 Y HA -0.094 4.477 4.550 0.036 0.000 0.290 538 Y C 1.903 177.807 175.900 0.006 0.000 1.144 538 Y CA 0.706 58.806 58.100 -0.001 0.000 1.228 538 Y CB -1.783 36.678 38.460 0.001 0.000 0.985 538 Y HN -0.134 nan 8.280 nan 0.000 0.542 539 I N 1.003 121.121 120.570 -0.753 0.000 2.179 539 I HA -0.280 3.912 4.170 0.036 0.000 0.242 539 I C 2.552 178.573 176.117 -0.160 0.000 1.088 539 I CA 1.574 62.630 61.300 -0.407 0.000 1.357 539 I CB -0.432 37.332 38.000 -0.394 0.000 1.051 539 I HN 0.214 nan 8.210 nan 0.000 0.409 540 R N 0.805 121.201 120.500 -0.173 0.000 2.091 540 R HA -0.199 4.163 4.340 0.036 0.000 0.238 540 R C 2.131 178.373 176.300 -0.095 0.000 1.136 540 R CA 1.581 57.592 56.100 -0.149 0.000 0.959 540 R CB -0.433 29.779 30.300 -0.147 0.000 0.856 540 R HN 0.483 nan 8.270 nan 0.000 0.437 541 E N 0.383 120.550 120.200 -0.054 0.000 2.072 541 E HA -0.151 4.221 4.350 0.036 0.000 0.191 541 E C 2.139 178.739 176.600 0.000 0.000 0.985 541 E CA 0.991 57.381 56.400 -0.017 0.000 0.801 541 E CB -0.016 29.700 29.700 0.026 0.000 0.750 541 E HN 0.271 nan 8.360 nan 0.000 0.452 542 R N 0.289 120.804 120.500 0.025 0.000 2.092 542 R HA -0.081 4.281 4.340 0.036 0.000 0.231 542 R C 2.376 178.695 176.300 0.032 0.000 1.119 542 R CA 0.886 57.015 56.100 0.048 0.000 0.970 542 R CB -0.166 30.184 30.300 0.083 0.000 0.864 542 R HN 0.048 nan 8.270 nan 0.000 0.440 543 V N 0.249 120.173 119.914 0.017 0.000 2.358 543 V HA -0.201 3.941 4.120 0.036 0.000 0.246 543 V C 2.263 178.326 176.094 -0.051 0.000 1.047 543 V CA 1.499 63.816 62.300 0.028 0.000 1.035 543 V CB -0.288 31.558 31.823 0.039 0.000 0.658 543 V HN 0.119 nan 8.190 nan 0.000 0.452 544 V N 0.523 120.385 119.914 -0.088 0.000 2.407 544 V HA -0.321 3.820 4.120 0.036 0.000 0.248 544 V C 2.309 178.359 176.094 -0.075 0.000 1.055 544 V CA 2.463 64.691 62.300 -0.120 0.000 1.049 544 V CB -0.714 31.045 31.823 -0.107 0.000 0.662 544 V HN 0.654 nan 8.190 nan 0.000 0.455 545 D N -0.540 119.849 120.400 -0.018 0.000 2.123 545 D HA -0.232 4.430 4.640 0.036 0.000 0.196 545 D C 2.274 178.646 176.300 0.121 0.000 0.992 545 D CA 1.587 55.611 54.000 0.040 0.000 0.833 545 D CB -0.049 40.794 40.800 0.071 0.000 0.954 545 D HN 0.514 nan 8.370 nan 0.000 0.455 546 Q N -0.585 119.255 119.800 0.067 0.000 2.079 546 Q HA -0.065 4.297 4.340 0.036 0.000 0.200 546 Q C 2.451 178.466 176.000 0.026 0.000 0.974 546 Q CA 0.776 56.622 55.803 0.072 0.000 0.840 546 Q CB -0.036 28.757 28.738 0.092 0.000 0.898 546 Q HN 0.403 nan 8.270 nan 0.000 0.430 547 L N 0.073 121.248 121.223 -0.081 0.000 2.127 547 L HA -0.172 4.190 4.340 0.036 0.000 0.211 547 L C 2.374 179.125 176.870 -0.198 0.000 1.089 547 L CA 0.879 55.595 54.840 -0.206 0.000 0.757 547 L CB -0.614 41.217 42.059 -0.380 0.000 0.899 547 L HN 0.202 nan 8.230 nan 0.000 0.434 548 A N -0.823 121.906 122.820 -0.151 0.000 2.121 548 A HA -0.179 4.162 4.320 0.036 0.000 0.218 548 A C 1.732 179.150 177.584 -0.277 0.000 1.154 548 A CA 1.116 53.032 52.037 -0.202 0.000 0.679 548 A CB -0.701 18.185 19.000 -0.190 0.000 0.795 548 A HN 0.444 nan 8.150 nan 0.000 0.458 549 H N -1.147 117.712 119.070 -0.351 0.000 2.548 549 H HA 0.251 4.829 4.556 0.037 0.000 0.268 549 H C 1.565 176.614 175.328 -0.464 0.000 0.975 549 H CA 1.016 56.723 56.048 -0.568 0.000 1.195 549 H CB 0.077 29.093 29.762 -1.243 0.000 1.397 549 H HN 0.505 nan 8.280 nan 0.000 0.572 550 I N -1.202 119.261 120.570 -0.178 0.000 2.899 550 I HA 0.089 4.281 4.170 0.036 0.000 0.257 550 I C -0.169 175.871 176.117 -0.129 0.000 1.115 550 I CA 0.425 61.681 61.300 -0.074 0.000 1.451 550 I CB 0.676 38.657 38.000 -0.032 0.000 1.251 550 I HN 0.092 nan 8.210 nan 0.000 0.456 551 D N -0.320 119.937 120.400 -0.238 0.000 2.795 551 D HA 0.143 4.804 4.640 0.036 0.000 0.206 551 D C 0.231 176.372 176.300 -0.265 0.000 1.278 551 D CA -0.352 53.496 54.000 -0.253 0.000 0.839 551 D CB 1.397 41.922 40.800 -0.459 0.000 1.700 551 D HN -0.037 nan 8.370 nan 0.000 0.549 552 L N 2.913 124.039 121.223 -0.161 0.000 2.083 552 L HA -0.082 4.280 4.340 0.036 0.000 0.209 552 L C 1.247 178.043 176.870 -0.124 0.000 1.083 552 L CA 1.869 56.627 54.840 -0.137 0.000 0.752 552 L CB -0.427 41.581 42.059 -0.086 0.000 0.899 552 L HN 0.576 nan 8.230 nan 0.000 0.433 553 T N 0.678 115.185 114.554 -0.078 0.000 2.777 553 T HA -0.183 4.189 4.350 0.036 0.000 0.266 553 T C 1.797 176.453 174.700 -0.074 0.000 1.040 553 T CA 1.439 63.538 62.100 -0.002 0.000 1.141 553 T CB -0.283 68.672 68.868 0.145 0.000 0.868 553 T HN 0.286 nan 8.240 nan 0.000 0.444 554 L N 1.875 122.903 121.223 -0.326 0.000 1.989 554 L HA 0.026 4.388 4.340 0.036 0.000 0.211 554 L C 2.627 179.285 176.870 -0.353 0.000 1.071 554 L CA 2.177 56.672 54.840 -0.575 0.000 0.749 554 L CB -1.251 40.032 42.059 -1.293 0.000 0.890 554 L HN 0.208 nan 8.230 nan 0.000 0.431 555 A N -1.015 121.605 122.820 -0.334 0.000 1.883 555 A HA -0.295 4.047 4.320 0.036 0.000 0.217 555 A C 2.221 179.707 177.584 -0.162 0.000 1.186 555 A CA 2.069 53.954 52.037 -0.252 0.000 0.624 555 A CB -0.764 18.104 19.000 -0.219 0.000 0.822 555 A HN 0.709 nan 8.150 nan 0.000 0.444 556 Q N -0.858 118.869 119.800 -0.121 0.000 2.061 556 Q HA -0.158 4.204 4.340 0.036 0.000 0.204 556 Q C 2.459 178.433 176.000 -0.045 0.000 0.984 556 Q CA 1.547 57.309 55.803 -0.069 0.000 0.846 556 Q CB -0.399 28.314 28.738 -0.042 0.000 0.902 556 Q HN 0.705 nan 8.270 nan 0.000 0.421 557 A N 0.098 122.899 122.820 -0.032 0.000 1.902 557 A HA -0.128 4.214 4.320 0.036 0.000 0.217 557 A C 2.287 179.872 177.584 0.002 0.000 1.181 557 A CA 1.328 53.374 52.037 0.014 0.000 0.623 557 A CB -0.552 18.489 19.000 0.069 0.000 0.818 557 A HN 0.219 nan 8.150 nan 0.000 0.443 558 V N -0.301 119.586 119.914 -0.046 0.000 2.379 558 V HA -0.165 3.977 4.120 0.036 0.000 0.245 558 V C 3.040 179.099 176.094 -0.058 0.000 1.044 558 V CA 1.682 63.952 62.300 -0.050 0.000 1.036 558 V CB -1.131 30.608 31.823 -0.140 0.000 0.664 558 V HN 0.597 nan 8.190 nan 0.000 0.453 559 A N -0.071 122.704 122.820 -0.075 0.000 1.940 559 A HA -0.299 4.043 4.320 0.036 0.000 0.219 559 A C 2.298 179.862 177.584 -0.034 0.000 1.176 559 A CA 2.354 54.354 52.037 -0.061 0.000 0.631 559 A CB -0.498 18.463 19.000 -0.065 0.000 0.814 559 A HN 0.526 nan 8.150 nan 0.000 0.446 560 K N -0.315 120.073 120.400 -0.020 0.000 2.057 560 K HA -0.172 4.169 4.320 0.036 0.000 0.207 560 K C 1.555 178.158 176.600 0.005 0.000 1.049 560 K CA 1.637 57.923 56.287 -0.003 0.000 0.931 560 K CB -0.172 32.333 32.500 0.009 0.000 0.714 560 K HN 0.427 nan 8.250 nan 0.000 0.440 561 N N 0.259 118.965 118.700 0.010 0.000 2.381 561 N HA -0.109 4.653 4.740 0.036 0.000 0.182 561 N C 0.774 176.284 175.510 -0.000 0.000 1.025 561 N CA 0.762 53.824 53.050 0.020 0.000 0.888 561 N CB 0.101 38.611 38.487 0.040 0.000 0.965 561 N HN 0.143 nan 8.380 nan 0.000 0.438 562 L N -0.696 120.515 121.223 -0.020 0.000 2.693 562 L HA 0.316 4.678 4.340 0.036 0.000 0.235 562 L C 1.098 177.951 176.870 -0.027 0.000 1.127 562 L CA 0.092 54.911 54.840 -0.036 0.000 0.914 562 L CB -0.779 41.243 42.059 -0.061 0.000 1.193 562 L HN 0.178 nan 8.230 nan 0.000 0.502 563 G N 0.875 109.665 108.800 -0.016 0.000 2.246 563 G HA2 -0.277 3.705 3.960 0.036 0.000 0.273 563 G HA3 -0.277 3.705 3.960 0.036 0.000 0.273 563 G C 0.271 175.161 174.900 -0.016 0.000 1.055 563 G CA 0.360 45.453 45.100 -0.012 0.000 0.851 563 G HN 0.309 nan 8.290 nan 0.000 0.500 564 I N -0.416 120.140 120.570 -0.023 0.000 2.562 564 I HA 0.466 4.658 4.170 0.036 0.000 0.301 564 I C 0.132 176.234 176.117 -0.025 0.000 1.003 564 I CA -0.803 60.481 61.300 -0.026 0.000 1.127 564 I CB 1.924 39.901 38.000 -0.038 0.000 1.304 564 I HN 0.019 nan 8.210 nan 0.000 0.446 565 E N 4.412 124.598 120.200 -0.022 0.000 2.176 565 E HA 0.338 4.710 4.350 0.036 0.000 0.267 565 E C -1.226 175.357 176.600 -0.029 0.000 0.893 565 E CA -1.083 55.303 56.400 -0.023 0.000 0.761 565 E CB 2.214 31.904 29.700 -0.016 0.000 1.133 565 E HN 0.252 nan 8.360 nan 0.000 0.409 566 L N 2.974 124.174 121.223 -0.037 0.000 2.490 566 L HA 0.005 4.367 4.340 0.036 0.000 0.274 566 L C 1.215 178.063 176.870 -0.037 0.000 1.201 566 L CA 0.602 55.416 54.840 -0.044 0.000 0.869 566 L CB 0.229 42.254 42.059 -0.057 0.000 1.123 566 L HN 0.578 nan 8.230 nan 0.000 0.484 567 T N -1.133 113.400 114.554 -0.036 0.000 2.766 567 T HA 0.110 4.482 4.350 0.036 0.000 0.295 567 T C 0.897 175.575 174.700 -0.037 0.000 1.024 567 T CA -0.449 61.633 62.100 -0.030 0.000 1.018 567 T CB 0.488 69.341 68.868 -0.025 0.000 1.002 567 T HN 0.572 nan 8.240 nan 0.000 0.532 568 D N 0.112 120.494 120.400 -0.031 0.000 2.144 568 D HA -0.054 4.608 4.640 0.036 0.000 0.199 568 D C 1.649 177.924 176.300 -0.042 0.000 0.984 568 D CA 1.087 55.067 54.000 -0.033 0.000 0.834 568 D CB -0.172 40.613 40.800 -0.025 0.000 0.955 568 D HN 0.590 nan 8.370 nan 0.000 0.465 569 D N 0.009 120.384 120.400 -0.042 0.000 2.104 569 D HA -0.143 4.519 4.640 0.036 0.000 0.194 569 D C 2.026 178.275 176.300 -0.084 0.000 0.994 569 D CA 0.907 54.876 54.000 -0.052 0.000 0.830 569 D CB -0.179 40.597 40.800 -0.040 0.000 0.959 569 D HN 0.344 nan 8.370 nan 0.000 0.452 570 Q N -0.503 119.245 119.800 -0.086 0.000 2.167 570 Q HA -0.066 4.296 4.340 0.036 0.000 0.202 570 Q C 1.825 177.750 176.000 -0.125 0.000 0.970 570 Q CA 0.425 56.153 55.803 -0.125 0.000 0.855 570 Q CB 0.078 28.755 28.738 -0.102 0.000 0.911 570 Q HN 0.182 nan 8.270 nan 0.000 0.438 571 L N 0.956 122.126 121.223 -0.089 0.000 2.362 571 L HA -0.097 4.264 4.340 0.036 0.000 0.219 571 L C 1.019 177.841 176.870 -0.080 0.000 1.134 571 L CA 1.407 56.200 54.840 -0.079 0.000 0.807 571 L CB -0.556 41.470 42.059 -0.055 0.000 0.927 571 L HN 0.247 nan 8.230 nan 0.000 0.447 572 N N -0.838 117.811 118.700 -0.086 0.000 2.214 572 N HA 0.179 4.941 4.740 0.036 0.000 0.214 572 N C 0.372 175.822 175.510 -0.101 0.000 1.132 572 N CA -0.024 52.980 53.050 -0.077 0.000 0.856 572 N CB 0.650 39.102 38.487 -0.057 0.000 1.020 572 N HN 0.210 nan 8.380 nan 0.000 0.509 573 I N 1.539 122.017 120.570 -0.154 0.000 2.517 573 I HA -0.037 4.155 4.170 0.036 0.000 0.285 573 I C 0.465 176.493 176.117 -0.148 0.000 1.106 573 I CA 0.309 61.485 61.300 -0.206 0.000 1.402 573 I CB 0.378 38.137 38.000 -0.402 0.000 1.399 573 I HN -0.161 nan 8.210 nan 0.000 0.535 574 T N 8.538 123.032 114.554 -0.100 0.000 2.853 574 T HA 0.122 4.494 4.350 0.036 0.000 0.298 574 T C -1.909 172.759 174.700 -0.053 0.000 0.978 574 T CA -0.740 61.327 62.100 -0.055 0.000 1.152 574 T CB 0.055 68.909 68.868 -0.023 0.000 0.914 574 T HN 0.419 nan 8.240 nan 0.000 0.539 575 P HA 0.241 nan 4.420 nan 0.000 0.270 575 P C -2.448 174.867 177.300 0.026 0.000 1.223 575 P CA -1.456 61.632 63.100 -0.020 0.000 0.785 575 P CB -0.409 31.288 31.700 -0.006 0.000 0.923 576 P HA 0.230 nan 4.420 nan 0.000 0.272 576 P C -2.393 174.961 177.300 0.091 0.000 1.240 576 P CA -1.256 61.911 63.100 0.111 0.000 0.791 576 P CB -1.108 30.704 31.700 0.186 0.000 0.978 577 P HA 0.110 nan 4.420 nan 0.000 0.270 577 P C -0.148 177.203 177.300 0.085 0.000 1.223 577 P CA 0.148 63.297 63.100 0.080 0.000 0.785 577 P CB 0.252 32.002 31.700 0.083 0.000 0.923 578 D N -0.334 120.108 120.400 0.071 0.000 2.363 578 D HA 0.078 4.740 4.640 0.036 0.000 0.240 578 D C -0.122 176.228 176.300 0.085 0.000 1.236 578 D CA 0.090 54.129 54.000 0.065 0.000 0.927 578 D CB 0.403 41.236 40.800 0.054 0.000 1.150 578 D HN -0.022 nan 8.370 nan 0.000 0.458 579 V N 2.074 122.029 119.914 0.068 0.000 2.348 579 V HA 0.052 4.194 4.120 0.036 0.000 0.270 579 V C 0.124 176.311 176.094 0.155 0.000 1.037 579 V CA -0.580 61.790 62.300 0.116 0.000 0.872 579 V CB -0.012 31.792 31.823 -0.033 0.000 1.002 579 V HN 0.561 nan 8.190 nan 0.000 0.464 580 N N 4.574 123.389 118.700 0.193 0.000 2.698 580 N HA -0.234 4.528 4.740 0.036 0.000 0.258 580 N C 1.193 176.769 175.510 0.111 0.000 0.978 580 N CA 1.086 54.232 53.050 0.161 0.000 0.777 580 N CB -0.839 37.786 38.487 0.229 0.000 0.907 580 N HN 1.311 nan 8.380 nan 0.000 0.543 581 G N -1.994 106.856 108.800 0.085 0.000 2.179 581 G HA2 -0.328 3.654 3.960 0.036 0.000 0.260 581 G HA3 -0.328 3.654 3.960 0.036 0.000 0.260 581 G C 0.059 174.991 174.900 0.053 0.000 0.977 581 G CA 0.317 45.454 45.100 0.061 0.000 0.641 581 G HN 0.424 nan 8.290 nan 0.000 0.533 582 L N 1.132 122.390 121.223 0.058 0.000 2.276 582 L HA 0.409 4.770 4.340 0.036 0.000 0.286 582 L C 1.606 178.491 176.870 0.025 0.000 1.061 582 L CA -0.395 54.469 54.840 0.039 0.000 0.807 582 L CB 1.228 43.310 42.059 0.038 0.000 1.177 582 L HN 0.230 nan 8.230 nan 0.000 0.429 583 K N 3.892 124.302 120.400 0.017 0.000 2.372 583 K HA 0.177 4.519 4.320 0.036 0.000 0.200 583 K C -0.327 176.268 176.600 -0.009 0.000 1.022 583 K CA -0.081 56.212 56.287 0.011 0.000 1.125 583 K CB 0.464 32.971 32.500 0.013 0.000 0.855 583 K HN 0.730 nan 8.250 nan 0.000 0.524 584 K N -0.536 119.853 120.400 -0.017 0.000 2.870 584 K HA 0.200 4.542 4.320 0.036 0.000 0.290 584 K C -2.250 174.332 176.600 -0.031 0.000 1.070 584 K CA -0.837 55.424 56.287 -0.044 0.000 0.843 584 K CB 0.607 33.060 32.500 -0.078 0.000 1.475 584 K HN -0.124 nan 8.250 nan 0.000 0.359 585 D N 1.538 121.913 120.400 -0.042 0.000 2.478 585 D HA 0.316 4.978 4.640 0.036 0.000 0.240 585 D C -2.243 174.038 176.300 -0.031 0.000 1.364 585 D CA -1.922 52.071 54.000 -0.012 0.000 0.987 585 D CB 2.254 43.068 40.800 0.025 0.000 1.328 585 D HN 0.270 nan 8.370 nan 0.000 0.584 586 P HA -0.086 nan 4.420 nan 0.000 0.225 586 P C 1.331 178.620 177.300 -0.018 0.000 1.148 586 P CA 0.753 63.822 63.100 -0.052 0.000 0.779 586 P CB 0.223 31.904 31.700 -0.032 0.000 0.780 587 S N -0.857 114.866 115.700 0.038 0.000 2.469 587 S HA -0.100 4.392 4.470 0.036 0.000 0.238 587 S C 1.684 176.368 174.600 0.140 0.000 0.998 587 S CA 0.909 59.169 58.200 0.100 0.000 0.957 587 S CB -1.449 61.836 63.200 0.142 0.000 0.764 587 S HN 0.157 nan 8.310 nan 0.000 0.514 588 L N 1.189 122.456 121.223 0.074 0.000 2.418 588 L HA 0.188 4.550 4.340 0.036 0.000 0.218 588 L C 1.486 178.241 176.870 -0.191 0.000 1.125 588 L CA 0.187 55.057 54.840 0.049 0.000 0.835 588 L CB -0.323 41.748 42.059 0.019 0.000 0.953 588 L HN 0.318 nan 8.230 nan 0.000 0.454 589 S N -0.294 115.284 115.700 -0.203 0.000 2.562 589 S HA 0.283 4.774 4.470 0.036 0.000 0.275 589 S C 1.082 175.559 174.600 -0.204 0.000 1.281 589 S CA -0.626 57.403 58.200 -0.285 0.000 1.045 589 S CB 1.224 64.260 63.200 -0.273 0.000 0.962 589 S HN 0.173 nan 8.310 nan 0.000 0.503 590 L N 3.561 124.583 121.223 -0.336 0.000 2.201 590 L HA 0.010 4.372 4.340 0.036 0.000 0.212 590 L C 0.725 177.327 176.870 -0.448 0.000 1.105 590 L CA 1.102 55.647 54.840 -0.492 0.000 0.775 590 L CB -0.291 41.166 42.059 -1.003 0.000 0.913 590 L HN 0.756 nan 8.230 nan 0.000 0.440 591 Y N -2.493 117.797 120.300 -0.017 0.000 2.499 591 Y HA 0.354 4.926 4.550 0.037 0.000 0.253 591 Y C 2.072 177.988 175.900 0.026 0.000 1.105 591 Y CA -0.243 57.897 58.100 0.066 0.000 1.240 591 Y CB -0.418 38.117 38.460 0.126 0.000 1.289 591 Y HN -0.063 nan 8.280 nan 0.000 0.534 592 A N 0.723 123.565 122.820 0.037 0.000 1.908 592 A HA -0.071 4.270 4.320 0.036 0.000 0.218 592 A C 0.950 178.564 177.584 0.049 0.000 1.181 592 A CA 1.163 53.194 52.037 -0.010 0.000 0.627 592 A CB -0.666 18.277 19.000 -0.095 0.000 0.818 592 A HN 0.281 nan 8.150 nan 0.000 0.445 593 I N 0.878 121.484 120.570 0.061 0.000 2.307 593 I HA 0.232 4.424 4.170 0.036 0.000 0.289 593 I C -2.433 173.753 176.117 0.115 0.000 1.021 593 I CA -2.197 59.149 61.300 0.076 0.000 1.224 593 I CB 1.437 39.471 38.000 0.057 0.000 1.376 593 I HN 0.013 nan 8.210 nan 0.000 0.470 594 P HA -0.076 nan 4.420 nan 0.000 0.261 594 P C -0.283 177.091 177.300 0.123 0.000 1.165 594 P CA 0.670 63.856 63.100 0.143 0.000 0.759 594 P CB 0.422 32.188 31.700 0.110 0.000 0.772 595 D N 1.495 121.980 120.400 0.141 0.000 2.640 595 D HA 0.127 4.789 4.640 0.036 0.000 0.282 595 D C 0.441 176.805 176.300 0.106 0.000 1.558 595 D CA -0.221 53.846 54.000 0.113 0.000 0.820 595 D CB -0.226 40.642 40.800 0.112 0.000 1.243 595 D HN 0.366 nan 8.370 nan 0.000 0.456 596 G N 0.206 109.076 108.800 0.116 0.000 2.527 596 G HA2 0.405 4.386 3.960 0.036 0.000 0.248 596 G HA3 0.405 4.386 3.960 0.036 0.000 0.248 596 G C -0.650 174.287 174.900 0.062 0.000 1.231 596 G CA -0.123 45.038 45.100 0.102 0.000 0.838 596 G HN 0.178 nan 8.290 nan 0.000 0.570 597 D N 0.381 120.810 120.400 0.047 0.000 2.763 597 D HA 0.161 4.823 4.640 0.036 0.000 0.235 597 D C 0.874 177.183 176.300 0.015 0.000 1.334 597 D CA -0.578 53.435 54.000 0.022 0.000 0.950 597 D CB 1.787 42.593 40.800 0.010 0.000 1.433 597 D HN 0.313 nan 8.370 nan 0.000 0.580 598 V N 1.781 121.696 119.914 0.002 0.000 3.541 598 V HA 0.258 4.400 4.120 0.036 0.000 0.267 598 V C 1.001 177.073 176.094 -0.036 0.000 1.213 598 V CA 0.097 62.393 62.300 -0.007 0.000 1.149 598 V CB -0.657 31.158 31.823 -0.014 0.000 0.822 598 V HN 0.383 nan 8.190 nan 0.000 0.462 599 K N 1.319 121.692 120.400 -0.046 0.000 2.416 599 K HA 0.410 4.751 4.320 0.036 0.000 0.283 599 K C 1.262 177.818 176.600 -0.074 0.000 1.037 599 K CA 1.027 57.265 56.287 -0.081 0.000 0.995 599 K CB 0.154 32.614 32.500 -0.066 0.000 0.938 599 K HN 0.661 nan 8.250 nan 0.000 0.475 600 G N 3.224 111.945 108.800 -0.131 0.000 2.217 600 G HA2 -0.214 3.768 3.960 0.036 0.000 0.246 600 G HA3 -0.214 3.768 3.960 0.036 0.000 0.246 600 G C 0.108 175.035 174.900 0.044 0.000 0.990 600 G CA -0.272 44.816 45.100 -0.020 0.000 0.627 600 G HN 0.555 nan 8.290 nan 0.000 0.522 601 R N -0.141 120.358 120.500 -0.001 0.000 2.822 601 R HA 0.639 5.001 4.340 0.036 0.000 0.277 601 R C 0.292 176.634 176.300 0.069 0.000 1.102 601 R CA 0.008 56.140 56.100 0.053 0.000 1.207 601 R CB 0.379 30.705 30.300 0.043 0.000 1.139 601 R HN 0.459 nan 8.270 nan 0.000 0.557 602 V N 0.280 120.258 119.914 0.106 0.000 2.888 602 V HA 0.371 4.513 4.120 0.036 0.000 0.309 602 V C -0.471 175.685 176.094 0.103 0.000 1.114 602 V CA -0.911 61.468 62.300 0.133 0.000 0.940 602 V CB 2.522 34.453 31.823 0.180 0.000 1.021 602 V HN 0.365 nan 8.190 nan 0.000 0.426 603 V N 2.521 122.491 119.914 0.094 0.000 2.555 603 V HA 0.829 4.971 4.120 0.036 0.000 0.302 603 V C 0.389 176.541 176.094 0.097 0.000 1.038 603 V CA -0.529 61.819 62.300 0.079 0.000 0.887 603 V CB 1.958 33.812 31.823 0.052 0.000 0.991 603 V HN 1.076 nan 8.190 nan 0.000 0.434 604 A N 5.608 128.495 122.820 0.111 0.000 2.310 604 A HA 0.827 5.169 4.320 0.036 0.000 0.299 604 A C -0.536 177.071 177.584 0.039 0.000 1.147 604 A CA -0.352 51.742 52.037 0.096 0.000 0.818 604 A CB 0.259 19.360 19.000 0.168 0.000 1.096 604 A HN 0.760 nan 8.150 nan 0.000 0.495 605 I N 3.178 123.762 120.570 0.022 0.000 2.411 605 I HA 0.207 4.399 4.170 0.036 0.000 0.284 605 I C -0.670 175.460 176.117 0.021 0.000 1.012 605 I CA -0.227 61.087 61.300 0.024 0.000 1.119 605 I CB 1.460 39.486 38.000 0.042 0.000 1.261 605 I HN 0.475 nan 8.210 nan 0.000 0.448 606 L N 7.126 128.349 121.223 0.000 0.000 2.342 606 L HA 0.390 4.752 4.340 0.036 0.000 0.285 606 L C 0.080 177.051 176.870 0.169 0.000 1.095 606 L CA -0.269 54.620 54.840 0.083 0.000 0.843 606 L CB 0.215 42.180 42.059 -0.155 0.000 1.201 606 L HN 0.455 nan 8.230 nan 0.000 0.445 607 L N 3.687 125.062 121.223 0.253 0.000 2.468 607 L HA 0.315 4.677 4.340 0.036 0.000 0.254 607 L C 0.124 177.186 176.870 0.319 0.000 1.171 607 L CA -0.423 54.525 54.840 0.180 0.000 0.809 607 L CB 0.990 43.063 42.059 0.024 0.000 1.155 607 L HN 0.696 nan 8.230 nan 0.000 0.473 608 N N -2.264 116.519 118.700 0.139 0.000 2.571 608 N HA 0.204 4.966 4.740 0.036 0.000 0.273 608 N C -0.304 175.172 175.510 -0.057 0.000 1.340 608 N CA -0.774 52.391 53.050 0.192 0.000 0.789 608 N CB 0.918 39.517 38.487 0.186 0.000 1.514 608 N HN 0.537 nan 8.380 nan 0.000 0.499 609 D N -1.271 119.133 120.400 0.006 0.000 2.371 609 D HA -0.104 4.558 4.640 0.036 0.000 0.221 609 D C -0.427 175.833 176.300 -0.067 0.000 0.986 609 D CA 0.883 54.817 54.000 -0.109 0.000 0.899 609 D CB 0.004 40.817 40.800 0.021 0.000 0.902 609 D HN 0.751 nan 8.370 nan 0.000 0.530 610 E N 0.613 120.796 120.200 -0.028 0.000 3.117 610 E HA 0.230 4.602 4.350 0.036 0.000 0.262 610 E C -1.226 175.363 176.600 -0.019 0.000 1.202 610 E CA -0.427 55.957 56.400 -0.027 0.000 0.853 610 E CB 1.161 30.853 29.700 -0.013 0.000 1.426 610 E HN -0.138 nan 8.360 nan 0.000 0.387 611 V N 2.816 122.711 119.914 -0.031 0.000 2.585 611 V HA 0.055 4.197 4.120 0.036 0.000 0.296 611 V C 0.893 176.974 176.094 -0.022 0.000 1.035 611 V CA 0.241 62.529 62.300 -0.020 0.000 1.084 611 V CB 0.750 32.555 31.823 -0.030 0.000 0.953 611 V HN 0.521 nan 8.190 nan 0.000 0.483 612 R N 3.673 124.161 120.500 -0.020 0.000 2.498 612 R HA 0.011 4.373 4.340 0.036 0.000 0.334 612 R C 1.655 177.937 176.300 -0.031 0.000 1.106 612 R CA 0.510 56.593 56.100 -0.029 0.000 0.995 612 R CB 0.171 30.448 30.300 -0.037 0.000 0.989 612 R HN 1.009 nan 8.270 nan 0.000 0.455 613 S N 3.073 118.756 115.700 -0.028 0.000 2.400 613 S HA -0.248 4.244 4.470 0.036 0.000 0.232 613 S C 1.985 176.569 174.600 -0.026 0.000 1.025 613 S CA 0.985 59.170 58.200 -0.025 0.000 0.993 613 S CB -0.148 63.038 63.200 -0.023 0.000 0.808 613 S HN 0.681 nan 8.310 nan 0.000 0.478 614 A N 2.218 125.020 122.820 -0.031 0.000 1.972 614 A HA -0.111 4.231 4.320 0.036 0.000 0.219 614 A C 1.955 179.511 177.584 -0.046 0.000 1.169 614 A CA 1.597 53.614 52.037 -0.034 0.000 0.635 614 A CB -0.765 18.213 19.000 -0.037 0.000 0.810 614 A HN 0.478 nan 8.150 nan 0.000 0.446 615 D N -0.057 120.305 120.400 -0.062 0.000 2.084 615 D HA -0.137 4.525 4.640 0.036 0.000 0.194 615 D C 1.927 178.203 176.300 -0.041 0.000 0.990 615 D CA 0.942 54.892 54.000 -0.084 0.000 0.826 615 D CB -0.419 40.317 40.800 -0.106 0.000 0.971 615 D HN 0.356 nan 8.370 nan 0.000 0.453 616 L N 0.551 121.760 121.223 -0.023 0.000 2.083 616 L HA -0.139 4.223 4.340 0.036 0.000 0.209 616 L C 2.446 179.318 176.870 0.003 0.000 1.083 616 L CA 0.715 55.554 54.840 -0.002 0.000 0.752 616 L CB -0.221 41.836 42.059 -0.005 0.000 0.899 616 L HN 0.093 nan 8.230 nan 0.000 0.433 617 L N -0.637 120.583 121.223 -0.005 0.000 2.046 617 L HA -0.220 4.142 4.340 0.036 0.000 0.208 617 L C 2.784 179.658 176.870 0.008 0.000 1.077 617 L CA 1.344 56.184 54.840 -0.000 0.000 0.747 617 L CB -0.603 41.453 42.059 -0.005 0.000 0.896 617 L HN 0.280 nan 8.230 nan 0.000 0.432 618 A N 0.002 122.825 122.820 0.005 0.000 1.898 618 A HA -0.145 4.197 4.320 0.036 0.000 0.216 618 A C 2.176 179.787 177.584 0.044 0.000 1.181 618 A CA 1.255 53.304 52.037 0.019 0.000 0.620 618 A CB -0.560 18.445 19.000 0.008 0.000 0.819 618 A HN 0.326 nan 8.150 nan 0.000 0.442 619 I N -0.176 120.424 120.570 0.051 0.000 2.127 619 I HA -0.285 3.907 4.170 0.036 0.000 0.241 619 I C 2.406 178.557 176.117 0.056 0.000 1.075 619 I CA 1.384 62.733 61.300 0.082 0.000 1.334 619 I CB -0.352 37.702 38.000 0.090 0.000 1.040 619 I HN 0.289 nan 8.210 nan 0.000 0.405 620 L N 0.340 121.587 121.223 0.040 0.000 2.056 620 L HA -0.207 4.155 4.340 0.036 0.000 0.207 620 L C 2.631 179.516 176.870 0.025 0.000 1.078 620 L CA 1.243 56.102 54.840 0.032 0.000 0.749 620 L CB -0.693 41.383 42.059 0.028 0.000 0.901 620 L HN 0.253 nan 8.230 nan 0.000 0.433 621 K N 0.779 121.193 120.400 0.023 0.000 2.044 621 K HA -0.238 4.103 4.320 0.036 0.000 0.210 621 K C 2.094 178.704 176.600 0.017 0.000 1.049 621 K CA 1.760 58.057 56.287 0.018 0.000 0.927 621 K CB -0.089 32.421 32.500 0.016 0.000 0.713 621 K HN 0.282 nan 8.250 nan 0.000 0.443 622 A N 1.095 123.930 122.820 0.025 0.000 1.929 622 A HA -0.037 4.305 4.320 0.036 0.000 0.216 622 A C 2.129 179.718 177.584 0.008 0.000 1.176 622 A CA 0.893 52.944 52.037 0.022 0.000 0.628 622 A CB -0.396 18.628 19.000 0.040 0.000 0.816 622 A HN 0.303 nan 8.150 nan 0.000 0.444 623 L N -0.699 120.530 121.223 0.010 0.000 2.027 623 L HA -0.176 4.186 4.340 0.036 0.000 0.206 623 L C 2.629 179.482 176.870 -0.029 0.000 1.074 623 L CA 1.902 56.736 54.840 -0.010 0.000 0.745 623 L CB -0.473 41.588 42.059 0.004 0.000 0.898 623 L HN 0.433 nan 8.230 nan 0.000 0.433 624 K N 0.409 120.802 120.400 -0.011 0.000 2.103 624 K HA -0.186 4.156 4.320 0.036 0.000 0.207 624 K C 2.061 178.648 176.600 -0.022 0.000 1.048 624 K CA 1.349 57.627 56.287 -0.015 0.000 0.930 624 K CB -0.066 32.437 32.500 0.005 0.000 0.716 624 K HN 0.280 nan 8.250 nan 0.000 0.444 625 A N 0.813 123.624 122.820 -0.014 0.000 2.067 625 A HA -0.090 4.252 4.320 0.036 0.000 0.219 625 A C 1.503 179.072 177.584 -0.024 0.000 1.158 625 A CA 1.216 53.244 52.037 -0.014 0.000 0.661 625 A CB -0.048 18.949 19.000 -0.005 0.000 0.801 625 A HN 0.142 nan 8.150 nan 0.000 0.452 626 K N -1.212 119.166 120.400 -0.035 0.000 2.372 626 K HA 0.196 4.537 4.320 0.036 0.000 0.200 626 K C 0.895 177.447 176.600 -0.079 0.000 1.022 626 K CA 0.568 56.828 56.287 -0.046 0.000 1.125 626 K CB 0.118 32.595 32.500 -0.039 0.000 0.855 626 K HN 0.623 nan 8.250 nan 0.000 0.524 627 G N 1.831 110.572 108.800 -0.099 0.000 2.225 627 G HA2 -0.240 3.741 3.960 0.036 0.000 0.267 627 G HA3 -0.240 3.741 3.960 0.036 0.000 0.267 627 G C 0.131 174.838 174.900 -0.323 0.000 1.024 627 G CA 0.292 45.290 45.100 -0.170 0.000 0.784 627 G HN 0.127 nan 8.290 nan 0.000 0.507 628 V N 0.504 120.268 119.914 -0.250 0.000 2.465 628 V HA 0.472 4.614 4.120 0.036 0.000 0.279 628 V C 0.826 176.742 176.094 -0.295 0.000 1.045 628 V CA -0.707 61.431 62.300 -0.270 0.000 0.938 628 V CB 1.098 32.853 31.823 -0.114 0.000 0.986 628 V HN 0.470 nan 8.190 nan 0.000 0.467 629 H N 1.734 120.816 119.070 0.020 0.000 2.509 629 H HA 0.791 5.369 4.556 0.036 0.000 0.359 629 H C 0.173 175.521 175.328 0.034 0.000 1.253 629 H CA 0.072 56.134 56.048 0.024 0.000 1.373 629 H CB 1.225 31.003 29.762 0.027 0.000 1.555 629 H HN 0.849 nan 8.280 nan 0.000 0.586 630 A N 0.815 123.743 122.820 0.181 0.000 2.475 630 A HA 0.522 4.863 4.320 0.036 0.000 0.301 630 A C -1.249 176.394 177.584 0.099 0.000 1.059 630 A CA -1.039 51.066 52.037 0.113 0.000 0.710 630 A CB 1.262 20.310 19.000 0.079 0.000 1.288 630 A HN 0.769 nan 8.150 nan 0.000 0.408 631 K N 2.347 122.799 120.400 0.086 0.000 2.426 631 K HA 0.687 5.029 4.320 0.036 0.000 0.254 631 K C -1.525 175.105 176.600 0.050 0.000 0.936 631 K CA -0.529 55.800 56.287 0.069 0.000 0.801 631 K CB 1.505 34.054 32.500 0.083 0.000 1.139 631 K HN 0.512 nan 8.250 nan 0.000 0.424 632 L N 4.369 125.612 121.223 0.033 0.000 2.278 632 L HA 0.294 4.655 4.340 0.036 0.000 0.287 632 L C -0.730 176.145 176.870 0.008 0.000 1.072 632 L CA -1.030 53.822 54.840 0.020 0.000 0.819 632 L CB 0.383 42.446 42.059 0.006 0.000 1.176 632 L HN 0.486 nan 8.230 nan 0.000 0.435 633 L N 4.366 125.598 121.223 0.014 0.000 2.334 633 L HA 0.597 4.958 4.340 0.036 0.000 0.273 633 L C -0.442 176.351 176.870 -0.128 0.000 1.013 633 L CA -0.377 54.431 54.840 -0.054 0.000 0.816 633 L CB 1.567 43.622 42.059 -0.007 0.000 1.278 633 L HN 0.344 nan 8.230 nan 0.000 0.431 634 Y N -0.596 119.287 120.300 -0.695 0.000 2.974 634 Y HA 0.320 4.891 4.550 0.036 0.000 0.310 634 Y C 0.875 175.994 175.900 -1.302 0.000 1.551 634 Y CA -0.499 57.060 58.100 -0.900 0.000 1.084 634 Y CB 1.351 39.611 38.460 -0.334 0.000 1.446 634 Y HN 0.536 nan 8.280 nan 0.000 0.472 635 S N 0.531 115.334 115.700 -1.494 0.000 2.575 635 S HA 0.284 4.776 4.470 0.036 0.000 0.215 635 S C -0.024 174.292 174.600 -0.472 0.000 0.966 635 S CA 0.192 57.858 58.200 -0.891 0.000 0.911 635 S CB -0.124 62.691 63.200 -0.642 0.000 0.780 635 S HN 0.592 nan 8.310 nan 0.000 0.514 636 R N -1.081 119.219 120.500 -0.333 0.000 2.766 636 R HA 0.624 4.986 4.340 0.036 0.000 0.270 636 R C -0.797 175.491 176.300 -0.021 0.000 1.035 636 R CA -1.095 54.941 56.100 -0.107 0.000 0.911 636 R CB 0.473 30.753 30.300 -0.032 0.000 1.243 636 R HN -0.099 nan 8.270 nan 0.000 0.460 637 M N 0.151 119.743 119.600 -0.013 0.000 2.012 637 M HA 0.487 4.989 4.480 0.036 0.000 0.248 637 M C 1.039 177.351 176.300 0.019 0.000 1.238 637 M CA 0.975 56.275 55.300 -0.000 0.000 0.980 637 M CB 0.399 32.993 32.600 -0.010 0.000 1.346 637 M HN 1.052 nan 8.290 nan 0.000 0.511 638 G N 0.711 109.515 108.800 0.006 0.000 2.662 638 G HA2 -0.133 3.849 3.960 0.036 0.000 0.236 638 G HA3 -0.133 3.849 3.960 0.036 0.000 0.236 638 G C -0.707 174.184 174.900 -0.015 0.000 1.212 638 G CA 0.123 45.224 45.100 0.001 0.000 0.968 638 G HN 0.995 nan 8.290 nan 0.000 0.576 639 E N -1.021 119.162 120.200 -0.028 0.000 2.408 639 E HA 0.686 5.058 4.350 0.036 0.000 0.275 639 E C -0.340 176.191 176.600 -0.116 0.000 0.935 639 E CA -0.533 55.830 56.400 -0.063 0.000 0.775 639 E CB 2.463 32.135 29.700 -0.047 0.000 1.277 639 E HN 1.666 nan 8.360 nan 0.000 0.455 640 V N -1.567 118.243 119.914 -0.174 0.000 3.113 640 V HA 0.754 4.896 4.120 0.036 0.000 0.316 640 V C -0.466 175.546 176.094 -0.136 0.000 1.125 640 V CA -0.665 61.505 62.300 -0.216 0.000 1.026 640 V CB 1.709 33.277 31.823 -0.425 0.000 1.080 640 V HN 0.758 nan 8.190 nan 0.000 0.444 641 T N 1.891 116.376 114.554 -0.116 0.000 2.812 641 T HA 0.791 5.163 4.350 0.036 0.000 0.282 641 T C 0.187 174.845 174.700 -0.070 0.000 0.990 641 T CA 0.265 62.320 62.100 -0.075 0.000 0.960 641 T CB 1.263 70.099 68.868 -0.052 0.000 0.948 641 T HN 1.328 nan 8.240 nan 0.000 0.438 642 A N 2.245 125.031 122.820 -0.057 0.000 2.267 642 A HA 0.391 4.733 4.320 0.036 0.000 0.271 642 A C 1.484 179.048 177.584 -0.035 0.000 1.131 642 A CA -0.284 51.726 52.037 -0.046 0.000 0.818 642 A CB 0.053 19.030 19.000 -0.039 0.000 1.118 642 A HN 0.884 nan 8.150 nan 0.000 0.501 643 D N -0.599 119.784 120.400 -0.029 0.000 2.264 643 D HA -0.144 4.518 4.640 0.036 0.000 0.208 643 D C 0.406 176.693 176.300 -0.021 0.000 0.966 643 D CA 1.428 55.414 54.000 -0.023 0.000 0.864 643 D CB -0.315 40.472 40.800 -0.021 0.000 0.933 643 D HN 0.569 nan 8.370 nan 0.000 0.499 644 D N -1.646 118.741 120.400 -0.021 0.000 2.388 644 D HA 0.261 4.923 4.640 0.036 0.000 0.221 644 D C 1.562 177.851 176.300 -0.018 0.000 1.133 644 D CA 0.045 54.034 54.000 -0.018 0.000 0.831 644 D CB -0.061 40.729 40.800 -0.017 0.000 0.962 644 D HN 0.279 nan 8.370 nan 0.000 0.502 645 G N -0.005 108.782 108.800 -0.021 0.000 2.159 645 G HA2 -0.288 3.694 3.960 0.036 0.000 0.256 645 G HA3 -0.288 3.694 3.960 0.036 0.000 0.256 645 G C 0.390 175.276 174.900 -0.023 0.000 0.977 645 G CA 0.322 45.409 45.100 -0.022 0.000 0.652 645 G HN 0.437 nan 8.290 nan 0.000 0.531 646 T N 1.076 115.615 114.554 -0.024 0.000 2.867 646 T HA 0.399 4.771 4.350 0.036 0.000 0.297 646 T C 0.692 175.373 174.700 -0.032 0.000 0.989 646 T CA 0.020 62.105 62.100 -0.024 0.000 1.159 646 T CB 2.151 71.006 68.868 -0.022 0.000 0.928 646 T HN 0.431 nan 8.240 nan 0.000 0.538 647 V N 5.791 125.688 119.914 -0.029 0.000 2.461 647 V HA 0.280 4.422 4.120 0.036 0.000 0.275 647 V C 0.210 176.281 176.094 -0.038 0.000 1.047 647 V CA -0.477 61.801 62.300 -0.036 0.000 0.955 647 V CB 0.509 32.315 31.823 -0.029 0.000 0.988 647 V HN 0.677 nan 8.190 nan 0.000 0.471 648 L N 8.322 129.513 121.223 -0.054 0.000 2.294 648 L HA 0.477 4.839 4.340 0.036 0.000 0.283 648 L C -2.372 174.463 176.870 -0.058 0.000 1.015 648 L CA -1.791 53.017 54.840 -0.054 0.000 0.831 648 L CB 1.878 43.896 42.059 -0.069 0.000 1.217 648 L HN 0.412 nan 8.230 nan 0.000 0.420 649 P HA 0.257 nan 4.420 nan 0.000 0.275 649 P C -0.556 176.727 177.300 -0.029 0.000 1.227 649 P CA -0.076 63.006 63.100 -0.030 0.000 0.781 649 P CB 1.295 32.986 31.700 -0.016 0.000 0.906 650 I N 1.981 122.535 120.570 -0.027 0.000 2.353 650 I HA 0.267 4.459 4.170 0.036 0.000 0.293 650 I C 1.488 177.598 176.117 -0.012 0.000 0.992 650 I CA -0.470 60.817 61.300 -0.022 0.000 1.268 650 I CB 1.597 39.589 38.000 -0.013 0.000 1.387 650 I HN 0.345 nan 8.210 nan 0.000 0.478 651 A N 5.075 127.891 122.820 -0.007 0.000 1.935 651 A HA 0.629 4.971 4.320 0.036 0.000 0.214 651 A C 0.929 178.513 177.584 0.000 0.000 1.178 651 A CA 1.105 53.144 52.037 0.003 0.000 0.640 651 A CB 0.061 19.072 19.000 0.018 0.000 0.825 651 A HN 0.816 nan 8.150 nan 0.000 0.447 652 A N -1.921 120.890 122.820 -0.015 0.000 2.586 652 A HA 0.560 4.902 4.320 0.036 0.000 0.291 652 A C -0.029 177.504 177.584 -0.085 0.000 1.062 652 A CA 0.067 52.092 52.037 -0.021 0.000 0.666 652 A CB -0.295 18.718 19.000 0.023 0.000 1.281 652 A HN 0.778 nan 8.150 nan 0.000 0.421 653 T N -1.383 113.115 114.554 -0.093 0.000 2.816 653 T HA 0.533 4.905 4.350 0.036 0.000 0.282 653 T C 1.038 175.677 174.700 -0.101 0.000 0.993 653 T CA 0.207 62.179 62.100 -0.213 0.000 0.994 653 T CB -0.004 68.778 68.868 -0.144 0.000 1.025 653 T HN 0.488 nan 8.240 nan 0.000 0.529 654 F N 0.617 120.571 119.950 0.008 0.000 2.091 654 F HA -0.063 4.486 4.527 0.036 0.000 0.299 654 F C 2.992 178.911 175.800 0.199 0.000 1.103 654 F CA 1.106 59.153 58.000 0.078 0.000 1.228 654 F CB -0.718 38.306 39.000 0.040 0.000 0.984 654 F HN 0.702 nan 8.300 nan 0.000 0.477 655 A N 0.219 123.207 122.820 0.280 0.000 1.968 655 A HA 0.037 4.379 4.320 0.036 0.000 0.217 655 A C 2.404 180.064 177.584 0.126 0.000 1.169 655 A CA 1.421 53.566 52.037 0.179 0.000 0.638 655 A CB -1.378 17.684 19.000 0.102 0.000 0.812 655 A HN 0.403 nan 8.150 nan 0.000 0.446 656 G N -0.939 107.920 108.800 0.099 0.000 2.448 656 G HA2 0.291 4.273 3.960 0.036 0.000 0.218 656 G HA3 0.291 4.273 3.960 0.036 0.000 0.218 656 G C 0.657 175.611 174.900 0.090 0.000 1.135 656 G CA 0.931 46.071 45.100 0.066 0.000 0.784 656 G HN 1.047 nan 8.290 nan 0.000 0.543 657 A N 0.683 123.594 122.820 0.151 0.000 3.030 657 A HA 0.706 5.048 4.320 0.036 0.000 0.335 657 A C -2.720 175.041 177.584 0.295 0.000 1.089 657 A CA -1.125 51.019 52.037 0.179 0.000 0.807 657 A CB 1.201 20.296 19.000 0.159 0.000 1.099 657 A HN 0.078 nan 8.150 nan 0.000 0.474 658 P HA 0.006 nan 4.420 nan 0.000 0.269 658 P C 1.384 178.543 177.300 -0.234 0.000 1.217 658 P CA 0.459 63.540 63.100 -0.032 0.000 0.783 658 P CB 0.795 32.454 31.700 -0.069 0.000 0.898 659 S N 1.405 116.592 115.700 -0.855 0.000 2.465 659 S HA -0.163 4.329 4.470 0.036 0.000 0.241 659 S C 1.722 176.170 174.600 -0.253 0.000 1.000 659 S CA 1.093 58.910 58.200 -0.640 0.000 0.964 659 S CB -1.276 61.441 63.200 -0.805 0.000 0.763 659 S HN 0.328 nan 8.310 nan 0.000 0.512 660 L N 1.727 122.810 121.223 -0.234 0.000 2.129 660 L HA -0.100 4.262 4.340 0.036 0.000 0.212 660 L C 2.923 179.622 176.870 -0.286 0.000 1.087 660 L CA 1.697 56.395 54.840 -0.237 0.000 0.757 660 L CB -1.272 40.626 42.059 -0.267 0.000 0.896 660 L HN 0.647 nan 8.230 nan 0.000 0.434 661 T N -3.351 111.109 114.554 -0.157 0.000 3.107 661 T HA 0.212 4.584 4.350 0.036 0.000 0.249 661 T C 0.331 175.129 174.700 0.163 0.000 1.096 661 T CA 0.093 62.191 62.100 -0.003 0.000 1.012 661 T CB -0.381 68.572 68.868 0.141 0.000 0.977 661 T HN 0.141 nan 8.240 nan 0.000 0.527 662 V N -2.672 117.295 119.914 0.088 0.000 3.113 662 V HA 0.579 4.721 4.120 0.036 0.000 0.316 662 V C -0.126 176.011 176.094 0.071 0.000 1.125 662 V CA -0.956 61.419 62.300 0.124 0.000 1.026 662 V CB 2.165 34.080 31.823 0.152 0.000 1.080 662 V HN -0.005 nan 8.190 nan 0.000 0.444 663 D N 0.986 121.430 120.400 0.074 0.000 2.366 663 D HA 0.501 5.163 4.640 0.036 0.000 0.205 663 D C 0.531 176.813 176.300 -0.029 0.000 1.022 663 D CA 1.449 55.467 54.000 0.030 0.000 0.868 663 D CB 1.521 42.360 40.800 0.065 0.000 0.953 663 D HN 0.997 nan 8.370 nan 0.000 0.514 664 A N 0.044 122.863 122.820 -0.002 0.000 2.586 664 A HA 0.519 4.861 4.320 0.036 0.000 0.291 664 A C -1.663 175.938 177.584 0.029 0.000 1.062 664 A CA -0.542 51.482 52.037 -0.022 0.000 0.666 664 A CB 1.443 20.418 19.000 -0.043 0.000 1.281 664 A HN -0.111 nan 8.150 nan 0.000 0.421 665 V N 1.391 121.317 119.914 0.021 0.000 2.577 665 V HA 0.514 4.656 4.120 0.036 0.000 0.303 665 V C -0.680 175.426 176.094 0.020 0.000 1.042 665 V CA -0.186 62.145 62.300 0.052 0.000 0.872 665 V CB 1.505 33.381 31.823 0.088 0.000 0.998 665 V HN 0.693 nan 8.190 nan 0.000 0.423 666 I N 4.585 125.175 120.570 0.034 0.000 2.404 666 I HA 0.548 4.739 4.170 0.036 0.000 0.293 666 I C -0.707 175.443 176.117 0.055 0.000 0.992 666 I CA -0.943 60.402 61.300 0.074 0.000 1.149 666 I CB 2.107 40.179 38.000 0.119 0.000 1.315 666 I HN 0.275 nan 8.210 nan 0.000 0.446 667 V N 7.724 127.684 119.914 0.077 0.000 2.350 667 V HA 0.345 4.487 4.120 0.036 0.000 0.285 667 V C -2.033 174.119 176.094 0.098 0.000 1.014 667 V CA -1.574 60.760 62.300 0.055 0.000 0.831 667 V CB 1.242 33.070 31.823 0.008 0.000 1.000 667 V HN 0.586 nan 8.190 nan 0.000 0.433 668 P HA 0.379 nan 4.420 nan 0.000 0.275 668 P C -0.236 177.082 177.300 0.029 0.000 1.266 668 P CA -0.207 62.908 63.100 0.025 0.000 0.793 668 P CB 1.126 32.836 31.700 0.015 0.000 1.074 669 A N -0.432 122.379 122.820 -0.014 0.000 2.249 669 A HA 0.715 5.057 4.320 0.036 0.000 0.281 669 A C 0.688 178.275 177.584 0.005 0.000 1.127 669 A CA 0.452 52.486 52.037 -0.005 0.000 0.833 669 A CB -0.578 18.398 19.000 -0.039 0.000 1.140 669 A HN 0.868 nan 8.150 nan 0.000 0.502 670 G N -0.525 108.278 108.800 0.006 0.000 2.260 670 G HA2 0.073 4.055 3.960 0.036 0.000 0.250 670 G HA3 0.073 4.055 3.960 0.036 0.000 0.250 670 G C -0.603 174.306 174.900 0.016 0.000 1.340 670 G CA -0.113 44.991 45.100 0.007 0.000 1.056 670 G HN 1.107 nan 8.290 nan 0.000 0.471 671 N N 1.734 120.448 118.700 0.024 0.000 2.605 671 N HA 0.181 4.943 4.740 0.036 0.000 0.282 671 N C 1.713 177.257 175.510 0.056 0.000 1.206 671 N CA -0.333 52.736 53.050 0.031 0.000 1.074 671 N CB -0.180 38.327 38.487 0.034 0.000 1.434 671 N HN 0.404 nan 8.380 nan 0.000 0.506 672 I N 1.389 121.979 120.570 0.035 0.000 2.394 672 I HA -0.158 4.034 4.170 0.036 0.000 0.251 672 I C 2.042 178.167 176.117 0.013 0.000 1.136 672 I CA 0.573 61.895 61.300 0.037 0.000 1.425 672 I CB -1.540 36.435 38.000 -0.041 0.000 1.079 672 I HN 0.492 nan 8.210 nan 0.000 0.425 673 A N 0.653 123.470 122.820 -0.005 0.000 2.084 673 A HA -0.282 4.060 4.320 0.036 0.000 0.221 673 A C 2.059 179.666 177.584 0.037 0.000 1.161 673 A CA 2.082 54.114 52.037 -0.009 0.000 0.653 673 A CB -0.749 18.246 19.000 -0.008 0.000 0.802 673 A HN 0.435 nan 8.150 nan 0.000 0.457 674 D N 0.150 120.599 120.400 0.081 0.000 2.178 674 D HA -0.125 4.537 4.640 0.036 0.000 0.201 674 D C 1.545 177.934 176.300 0.149 0.000 0.980 674 D CA 1.684 55.760 54.000 0.127 0.000 0.842 674 D CB -0.162 40.749 40.800 0.185 0.000 0.948 674 D HN 0.653 nan 8.370 nan 0.000 0.472 675 I N -4.200 116.475 120.570 0.176 0.000 4.227 675 I HA 0.483 4.675 4.170 0.036 0.000 0.334 675 I C 1.837 178.089 176.117 0.225 0.000 1.341 675 I CA -0.096 61.336 61.300 0.220 0.000 1.123 675 I CB 0.159 38.336 38.000 0.296 0.000 1.097 675 I HN -0.096 nan 8.210 nan 0.000 0.399 676 A N 1.418 124.308 122.820 0.117 0.000 2.019 676 A HA -0.134 4.208 4.320 0.036 0.000 0.219 676 A C 1.408 179.003 177.584 0.019 0.000 1.164 676 A CA 1.932 53.938 52.037 -0.051 0.000 0.644 676 A CB -0.426 18.461 19.000 -0.188 0.000 0.805 676 A HN 0.494 nan 8.150 nan 0.000 0.449 677 D N -0.788 119.638 120.400 0.043 0.000 2.440 677 D HA 0.057 4.719 4.640 0.036 0.000 0.216 677 D C -0.138 176.195 176.300 0.056 0.000 1.150 677 D CA -0.203 53.820 54.000 0.038 0.000 0.832 677 D CB -0.158 40.652 40.800 0.016 0.000 0.992 677 D HN 0.287 nan 8.370 nan 0.000 0.502 678 N N 0.973 119.721 118.700 0.080 0.000 2.411 678 N HA 0.050 4.812 4.740 0.036 0.000 0.259 678 N C 1.403 176.945 175.510 0.054 0.000 1.103 678 N CA 0.067 53.159 53.050 0.070 0.000 0.954 678 N CB 1.471 40.014 38.487 0.093 0.000 1.085 678 N HN 0.037 nan 8.380 nan 0.000 0.485 679 G N 3.396 112.227 108.800 0.052 0.000 2.446 679 G HA2 -0.279 3.703 3.960 0.036 0.000 0.217 679 G HA3 -0.279 3.703 3.960 0.036 0.000 0.217 679 G C 0.961 175.904 174.900 0.072 0.000 1.168 679 G CA 0.630 45.762 45.100 0.053 0.000 0.771 679 G HN 0.599 nan 8.290 nan 0.000 0.551 680 D N 0.857 121.304 120.400 0.079 0.000 2.149 680 D HA -0.027 4.635 4.640 0.036 0.000 0.198 680 D C 2.788 179.068 176.300 -0.033 0.000 0.990 680 D CA 1.253 55.328 54.000 0.125 0.000 0.839 680 D CB -0.439 40.503 40.800 0.237 0.000 0.948 680 D HN 0.321 nan 8.370 nan 0.000 0.460 681 A N 0.965 123.605 122.820 -0.299 0.000 1.873 681 A HA -0.174 4.168 4.320 0.036 0.000 0.215 681 A C 2.033 179.396 177.584 -0.368 0.000 1.186 681 A CA 1.232 52.846 52.037 -0.704 0.000 0.616 681 A CB -0.507 18.097 19.000 -0.660 0.000 0.823 681 A HN 0.148 nan 8.150 nan 0.000 0.442 682 N N -1.448 117.180 118.700 -0.121 0.000 2.104 682 N HA -0.201 4.561 4.740 0.036 0.000 0.190 682 N C 1.701 177.187 175.510 -0.040 0.000 1.024 682 N CA 1.854 54.883 53.050 -0.034 0.000 0.853 682 N CB -0.463 38.081 38.487 0.095 0.000 1.008 682 N HN 0.680 nan 8.380 nan 0.000 0.424 683 Y N 0.516 120.771 120.300 -0.075 0.000 2.274 683 Y HA -0.267 4.304 4.550 0.036 0.000 0.290 683 Y C 2.400 178.247 175.900 -0.088 0.000 1.145 683 Y CA 1.216 59.274 58.100 -0.070 0.000 1.203 683 Y CB -0.326 38.104 38.460 -0.051 0.000 0.984 683 Y HN 0.040 nan 8.280 nan 0.000 0.533 684 Y N 0.318 120.487 120.300 -0.219 0.000 2.128 684 Y HA -0.322 4.250 4.550 0.037 0.000 0.284 684 Y C 2.065 177.768 175.900 -0.327 0.000 1.154 684 Y CA 2.148 60.093 58.100 -0.259 0.000 1.149 684 Y CB -0.484 37.817 38.460 -0.266 0.000 0.976 684 Y HN 0.113 nan 8.280 nan 0.000 0.505 685 L N -1.050 120.092 121.223 -0.136 0.000 2.056 685 L HA -0.262 4.100 4.340 0.036 0.000 0.207 685 L C 2.458 179.200 176.870 -0.212 0.000 1.078 685 L CA 1.396 56.136 54.840 -0.166 0.000 0.749 685 L CB -0.556 41.366 42.059 -0.229 0.000 0.901 685 L HN 0.285 nan 8.230 nan 0.000 0.433 686 M N -0.512 118.910 119.600 -0.297 0.000 2.080 686 M HA -0.255 4.247 4.480 0.036 0.000 0.260 686 M C 2.276 178.315 176.300 -0.435 0.000 1.068 686 M CA 1.857 56.970 55.300 -0.312 0.000 1.109 686 M CB -0.532 31.879 32.600 -0.316 0.000 1.342 686 M HN 0.252 nan 8.290 nan 0.000 0.405 687 E N 0.674 120.420 120.200 -0.757 0.000 2.051 687 E HA -0.193 4.179 4.350 0.036 0.000 0.192 687 E C 2.032 178.275 176.600 -0.597 0.000 0.991 687 E CA 1.377 57.295 56.400 -0.803 0.000 0.799 687 E CB -0.023 29.139 29.700 -0.897 0.000 0.748 687 E HN 0.464 nan 8.360 nan 0.000 0.449 688 A N 0.224 122.800 122.820 -0.407 0.000 1.940 688 A HA -0.218 4.123 4.320 0.036 0.000 0.219 688 A C 2.041 179.516 177.584 -0.180 0.000 1.176 688 A CA 1.590 53.483 52.037 -0.239 0.000 0.631 688 A CB -0.897 18.017 19.000 -0.143 0.000 0.814 688 A HN 0.582 nan 8.150 nan 0.000 0.446 689 Y N 0.336 120.470 120.300 -0.277 0.000 2.133 689 Y HA -0.166 4.406 4.550 0.037 0.000 0.287 689 Y C 2.385 178.154 175.900 -0.217 0.000 1.134 689 Y CA 2.242 60.211 58.100 -0.217 0.000 1.133 689 Y CB -0.330 38.018 38.460 -0.187 0.000 0.987 689 Y HN 0.289 nan 8.280 nan 0.000 0.502 690 K N -0.521 119.767 120.400 -0.188 0.000 2.089 690 K HA -0.277 4.065 4.320 0.036 0.000 0.210 690 K C 1.135 177.601 176.600 -0.224 0.000 1.048 690 K CA 2.289 58.423 56.287 -0.256 0.000 0.926 690 K CB -0.481 31.804 32.500 -0.359 0.000 0.714 690 K HN 0.604 nan 8.250 nan 0.000 0.448 691 H N -0.101 118.844 119.070 -0.209 0.000 2.524 691 H HA 0.192 4.770 4.556 0.037 0.000 0.280 691 H C -0.008 175.156 175.328 -0.274 0.000 1.018 691 H CA 0.160 56.083 56.048 -0.209 0.000 1.165 691 H CB 0.182 29.819 29.762 -0.208 0.000 1.411 691 H HN 0.136 nan 8.280 nan 0.000 0.569 692 L N -0.137 120.935 121.223 -0.253 0.000 4.351 692 L HA -0.263 4.099 4.340 0.036 0.000 0.410 692 L C -0.297 176.310 176.870 -0.438 0.000 1.150 692 L CA 0.577 55.178 54.840 -0.398 0.000 0.961 692 L CB -1.664 40.146 42.059 -0.415 0.000 2.130 692 L HN 0.301 nan 8.230 nan 0.000 0.787 693 K N 0.834 121.041 120.400 -0.321 0.000 2.118 693 K HA 0.481 4.823 4.320 0.036 0.000 0.267 693 K C -2.158 174.300 176.600 -0.237 0.000 0.991 693 K CA -1.770 54.348 56.287 -0.283 0.000 0.916 693 K CB 0.771 33.159 32.500 -0.187 0.000 1.041 693 K HN -0.225 nan 8.250 nan 0.000 0.455 694 P HA 0.067 nan 4.420 nan 0.000 0.268 694 P C -0.812 176.422 177.300 -0.110 0.000 1.204 694 P CA 0.357 63.355 63.100 -0.170 0.000 0.768 694 P CB 0.425 32.022 31.700 -0.171 0.000 0.842 695 I N 1.986 122.508 120.570 -0.081 0.000 2.498 695 I HA 0.610 4.802 4.170 0.036 0.000 0.290 695 I C -0.261 175.820 176.117 -0.060 0.000 1.032 695 I CA -0.783 60.491 61.300 -0.042 0.000 1.073 695 I CB 2.156 40.158 38.000 0.003 0.000 1.251 695 I HN 0.255 nan 8.210 nan 0.000 0.426 696 A N 7.603 130.397 122.820 -0.042 0.000 2.343 696 A HA 0.921 5.263 4.320 0.036 0.000 0.316 696 A C -1.099 176.600 177.584 0.191 0.000 1.104 696 A CA -0.436 51.568 52.037 -0.054 0.000 0.768 696 A CB 0.952 19.796 19.000 -0.260 0.000 1.213 696 A HN 0.657 nan 8.150 nan 0.000 0.456 697 L N 1.768 123.172 121.223 0.301 0.000 2.385 697 L HA 0.795 5.157 4.340 0.036 0.000 0.273 697 L C 0.134 177.188 176.870 0.307 0.000 0.990 697 L CA -0.572 54.435 54.840 0.278 0.000 0.821 697 L CB 2.188 44.357 42.059 0.184 0.000 1.279 697 L HN 0.789 nan 8.230 nan 0.000 0.412 698 A N 1.726 124.617 122.820 0.118 0.000 2.365 698 A HA 0.863 5.205 4.320 0.036 0.000 0.318 698 A C 0.556 178.110 177.584 -0.050 0.000 1.091 698 A CA 0.152 52.124 52.037 -0.108 0.000 0.763 698 A CB 1.356 20.125 19.000 -0.385 0.000 1.248 698 A HN 0.993 nan 8.150 nan 0.000 0.442 699 G N 1.648 110.408 108.800 -0.068 0.000 2.685 699 G HA2 -0.377 3.605 3.960 0.036 0.000 0.329 699 G HA3 -0.377 3.605 3.960 0.036 0.000 0.329 699 G C 0.606 175.499 174.900 -0.012 0.000 1.271 699 G CA 1.213 46.289 45.100 -0.040 0.000 1.003 699 G HN 0.755 nan 8.290 nan 0.000 0.549 700 D N 1.500 121.892 120.400 -0.014 0.000 2.371 700 D HA 0.342 5.004 4.640 0.036 0.000 0.221 700 D C 2.503 178.796 176.300 -0.013 0.000 0.986 700 D CA 1.348 55.334 54.000 -0.023 0.000 0.899 700 D CB -0.533 40.248 40.800 -0.032 0.000 0.902 700 D HN 0.706 nan 8.370 nan 0.000 0.530 701 A N 0.130 122.986 122.820 0.059 0.000 2.172 701 A HA -0.112 4.229 4.320 0.036 0.000 0.216 701 A C 2.004 179.699 177.584 0.184 0.000 1.154 701 A CA 0.596 52.748 52.037 0.192 0.000 0.701 701 A CB -0.257 18.874 19.000 0.219 0.000 0.789 701 A HN 0.120 nan 8.150 nan 0.000 0.465 702 R N -0.658 119.890 120.500 0.081 0.000 2.285 702 R HA -0.051 4.311 4.340 0.036 0.000 0.213 702 R C 1.437 177.737 176.300 0.000 0.000 1.068 702 R CA 0.869 57.006 56.100 0.061 0.000 1.004 702 R CB -0.087 30.238 30.300 0.041 0.000 0.873 702 R HN 0.189 nan 8.270 nan 0.000 0.467 703 K N 0.108 120.454 120.400 -0.089 0.000 2.218 703 K HA -0.131 4.211 4.320 0.036 0.000 0.205 703 K C 1.254 177.712 176.600 -0.238 0.000 1.046 703 K CA 1.418 57.582 56.287 -0.205 0.000 0.933 703 K CB -0.276 32.027 32.500 -0.328 0.000 0.728 703 K HN 0.197 nan 8.250 nan 0.000 0.454 704 F N 0.778 120.704 119.950 -0.040 0.000 2.325 704 F HA -0.064 4.485 4.527 0.037 0.000 0.299 704 F C 1.742 177.495 175.800 -0.079 0.000 1.090 704 F CA 0.613 58.578 58.000 -0.059 0.000 1.392 704 F CB -0.075 38.890 39.000 -0.059 0.000 1.053 704 F HN -0.060 nan 8.300 nan 0.000 0.521 705 K N 0.493 120.945 120.400 0.086 0.000 2.242 705 K HA -0.273 4.068 4.320 0.036 0.000 0.206 705 K C 2.211 178.787 176.600 -0.041 0.000 1.045 705 K CA 1.190 57.476 56.287 -0.002 0.000 0.930 705 K CB -0.455 32.042 32.500 -0.005 0.000 0.726 705 K HN 0.303 nan 8.250 nan 0.000 0.462 706 A N 0.627 123.430 122.820 -0.028 0.000 1.933 706 A HA -0.145 4.197 4.320 0.036 0.000 0.218 706 A C 2.104 179.661 177.584 -0.045 0.000 1.175 706 A CA 1.951 53.962 52.037 -0.042 0.000 0.628 706 A CB -0.605 18.366 19.000 -0.049 0.000 0.814 706 A HN 0.279 nan 8.150 nan 0.000 0.444 707 T N 0.301 114.844 114.554 -0.019 0.000 3.014 707 T HA 0.072 4.444 4.350 0.036 0.000 0.263 707 T C 1.439 176.071 174.700 -0.113 0.000 1.078 707 T CA 1.172 63.257 62.100 -0.025 0.000 1.135 707 T CB -0.324 68.575 68.868 0.051 0.000 0.895 707 T HN 0.705 nan 8.240 nan 0.000 0.480 708 I N -2.117 118.329 120.570 -0.207 0.000 3.904 708 I HA 0.383 4.575 4.170 0.036 0.000 0.333 708 I C -0.495 175.367 176.117 -0.424 0.000 1.361 708 I CA -0.504 60.527 61.300 -0.449 0.000 1.116 708 I CB -0.048 37.485 38.000 -0.778 0.000 1.028 708 I HN -0.172 nan 8.210 nan 0.000 0.398 709 K N 2.027 122.299 120.400 -0.213 0.000 3.244 709 K HA -0.107 4.234 4.320 0.036 0.000 0.270 709 K C -0.401 176.129 176.600 -0.116 0.000 1.016 709 K CA 0.537 56.745 56.287 -0.131 0.000 0.754 709 K CB -1.807 30.637 32.500 -0.094 0.000 1.326 709 K HN 0.462 nan 8.250 nan 0.000 0.465 710 I N 0.539 121.041 120.570 -0.114 0.000 2.315 710 I HA 0.249 4.441 4.170 0.036 0.000 0.291 710 I C 1.366 177.465 176.117 -0.031 0.000 1.006 710 I CA -0.961 60.300 61.300 -0.066 0.000 1.265 710 I CB 0.957 38.919 38.000 -0.064 0.000 1.387 710 I HN 0.274 nan 8.210 nan 0.000 0.475 711 A N 5.323 128.135 122.820 -0.013 0.000 2.507 711 A HA 0.023 4.365 4.320 0.036 0.000 0.235 711 A C 1.132 178.713 177.584 -0.005 0.000 1.070 711 A CA -0.087 51.946 52.037 -0.007 0.000 0.768 711 A CB 0.104 19.105 19.000 0.001 0.000 1.011 711 A HN 0.754 nan 8.150 nan 0.000 0.502 712 D N 0.635 121.032 120.400 -0.005 0.000 2.158 712 D HA -0.191 4.471 4.640 0.036 0.000 0.197 712 D C 1.896 178.198 176.300 0.003 0.000 0.995 712 D CA 2.154 56.152 54.000 -0.003 0.000 0.846 712 D CB -0.217 40.581 40.800 -0.004 0.000 0.941 712 D HN 0.828 nan 8.370 nan 0.000 0.456 713 Q N 0.271 120.073 119.800 0.004 0.000 2.515 713 Q HA 0.264 4.625 4.340 0.036 0.000 0.212 713 Q C 1.104 177.109 176.000 0.009 0.000 0.970 713 Q CA 0.641 56.448 55.803 0.006 0.000 0.941 713 Q CB -0.016 28.725 28.738 0.006 0.000 0.998 713 Q HN 0.147 nan 8.270 nan 0.000 0.518 714 G N 0.578 109.384 108.800 0.010 0.000 2.728 714 G HA2 -0.235 3.746 3.960 0.036 0.000 0.294 714 G HA3 -0.235 3.746 3.960 0.036 0.000 0.294 714 G C -1.191 173.717 174.900 0.014 0.000 1.342 714 G CA -0.272 44.836 45.100 0.013 0.000 0.866 714 G HN 0.378 nan 8.290 nan 0.000 0.534 715 E N -0.704 119.505 120.200 0.016 0.000 2.381 715 E HA 0.375 4.747 4.350 0.036 0.000 0.286 715 E C -0.597 176.005 176.600 0.003 0.000 0.960 715 E CA -0.737 55.675 56.400 0.019 0.000 0.793 715 E CB 1.013 30.742 29.700 0.049 0.000 1.225 715 E HN 0.471 nan 8.360 nan 0.000 0.420 716 E N 1.632 121.825 120.200 -0.011 0.000 2.480 716 E HA 0.176 4.548 4.350 0.036 0.000 0.258 716 E C 0.731 177.293 176.600 -0.062 0.000 0.984 716 E CA 1.578 57.956 56.400 -0.037 0.000 0.930 716 E CB 1.146 30.823 29.700 -0.038 0.000 0.936 716 E HN 0.886 nan 8.360 nan 0.000 0.466 717 G N 3.212 111.961 108.800 -0.085 0.000 2.194 717 G HA2 -0.207 3.775 3.960 0.036 0.000 0.236 717 G HA3 -0.207 3.775 3.960 0.036 0.000 0.236 717 G C 0.192 175.044 174.900 -0.079 0.000 0.987 717 G CA -0.300 44.730 45.100 -0.117 0.000 0.635 717 G HN 0.426 nan 8.290 nan 0.000 0.520 718 I N 1.975 122.523 120.570 -0.036 0.000 2.355 718 I HA 0.493 4.685 4.170 0.036 0.000 0.288 718 I C 0.363 176.453 176.117 -0.044 0.000 0.999 718 I CA -1.112 60.178 61.300 -0.017 0.000 1.163 718 I CB 1.336 39.357 38.000 0.034 0.000 1.316 718 I HN -0.110 nan 8.210 nan 0.000 0.454 719 V N 7.357 127.214 119.914 -0.095 0.000 2.439 719 V HA 0.408 4.550 4.120 0.036 0.000 0.282 719 V C 0.175 176.263 176.094 -0.008 0.000 1.039 719 V CA -0.440 61.767 62.300 -0.155 0.000 0.913 719 V CB 1.367 32.933 31.823 -0.428 0.000 0.983 719 V HN 0.866 nan 8.190 nan 0.000 0.460 720 E N 4.260 124.525 120.200 0.108 0.000 2.343 720 E HA 0.870 5.242 4.350 0.036 0.000 0.278 720 E C -1.034 175.723 176.600 0.261 0.000 0.910 720 E CA -0.960 55.581 56.400 0.234 0.000 0.757 720 E CB 2.567 32.340 29.700 0.123 0.000 1.218 720 E HN 0.776 nan 8.360 nan 0.000 0.435 721 A N 2.021 124.997 122.820 0.260 0.000 2.586 721 A HA 0.369 4.710 4.320 0.036 0.000 0.290 721 A C -0.400 177.189 177.584 0.008 0.000 1.086 721 A CA -0.595 51.521 52.037 0.132 0.000 0.665 721 A CB 1.271 20.382 19.000 0.186 0.000 1.279 721 A HN 0.591 nan 8.150 nan 0.000 0.423 722 D N 0.456 120.846 120.400 -0.016 0.000 2.158 722 D HA -0.020 4.642 4.640 0.036 0.000 0.197 722 D C 1.120 177.357 176.300 -0.105 0.000 0.995 722 D CA 2.588 56.560 54.000 -0.046 0.000 0.846 722 D CB 0.070 40.851 40.800 -0.032 0.000 0.941 722 D HN 0.874 nan 8.370 nan 0.000 0.456 723 S N -2.489 113.107 115.700 -0.173 0.000 2.656 723 S HA 0.637 5.129 4.470 0.036 0.000 0.273 723 S C -0.033 174.263 174.600 -0.507 0.000 1.168 723 S CA -0.308 57.731 58.200 -0.268 0.000 0.817 723 S CB 1.551 64.656 63.200 -0.158 0.000 1.146 723 S HN -0.051 nan 8.310 nan 0.000 0.475 724 A N 0.875 123.361 122.820 -0.557 0.000 2.291 724 A HA 0.311 4.652 4.320 0.036 0.000 0.220 724 A C 0.637 178.112 177.584 -0.181 0.000 1.262 724 A CA 0.489 52.114 52.037 -0.688 0.000 0.867 724 A CB -2.034 16.687 19.000 -0.464 0.000 0.888 724 A HN 1.030 nan 8.150 nan 0.000 0.487 725 D N -1.048 119.288 120.400 -0.107 0.000 2.027 725 D HA 0.028 4.690 4.640 0.036 0.000 0.227 725 D C 1.338 177.687 176.300 0.083 0.000 1.419 725 D CA 0.877 54.879 54.000 0.002 0.000 0.910 725 D CB -0.072 40.734 40.800 0.010 0.000 1.499 725 D HN 0.013 nan 8.370 nan 0.000 0.569 726 G N -1.585 107.256 108.800 0.067 0.000 2.396 726 G HA2 -0.217 3.765 3.960 0.036 0.000 0.214 726 G HA3 -0.217 3.765 3.960 0.036 0.000 0.214 726 G C 1.615 176.567 174.900 0.086 0.000 1.166 726 G CA 0.868 46.010 45.100 0.071 0.000 0.793 726 G HN 0.567 nan 8.290 nan 0.000 0.533 727 S N -0.020 115.732 115.700 0.087 0.000 2.368 727 S HA -0.126 4.365 4.470 0.036 0.000 0.225 727 S C 2.114 176.779 174.600 0.108 0.000 1.030 727 S CA 1.400 59.646 58.200 0.077 0.000 0.999 727 S CB -0.474 62.763 63.200 0.062 0.000 0.844 727 S HN 0.349 nan 8.310 nan 0.000 0.459 728 F N 2.019 121.967 119.950 -0.003 0.000 2.063 728 F HA -0.156 4.393 4.527 0.037 0.000 0.298 728 F C 2.224 178.021 175.800 -0.005 0.000 1.109 728 F CA 2.146 60.144 58.000 -0.003 0.000 1.212 728 F CB -0.297 38.703 39.000 -0.001 0.000 0.973 728 F HN 0.216 nan 8.300 nan 0.000 0.480 729 M N 0.072 119.789 119.600 0.196 0.000 2.175 729 M HA -0.161 4.341 4.480 0.036 0.000 0.264 729 M C 1.785 178.067 176.300 -0.031 0.000 1.063 729 M CA 1.319 56.656 55.300 0.061 0.000 1.119 729 M CB -1.353 31.328 32.600 0.135 0.000 1.377 729 M HN 0.140 nan 8.290 nan 0.000 0.415 730 D N 0.524 120.921 120.400 -0.005 0.000 2.117 730 D HA -0.142 4.520 4.640 0.036 0.000 0.197 730 D C 1.980 178.246 176.300 -0.056 0.000 0.987 730 D CA 1.176 55.163 54.000 -0.022 0.000 0.829 730 D CB -0.061 40.737 40.800 -0.002 0.000 0.961 730 D HN 0.472 nan 8.370 nan 0.000 0.460 731 E N 0.272 120.421 120.200 -0.085 0.000 2.047 731 E HA -0.106 4.266 4.350 0.036 0.000 0.191 731 E C 2.114 178.621 176.600 -0.156 0.000 0.987 731 E CA 0.103 56.435 56.400 -0.112 0.000 0.799 731 E CB -0.042 29.581 29.700 -0.129 0.000 0.752 731 E HN 0.126 nan 8.360 nan 0.000 0.449 732 L N 1.171 122.254 121.223 -0.233 0.000 2.013 732 L HA -0.208 4.154 4.340 0.036 0.000 0.212 732 L C 2.159 178.949 176.870 -0.133 0.000 1.073 732 L CA 1.738 56.442 54.840 -0.226 0.000 0.753 732 L CB -0.601 41.279 42.059 -0.298 0.000 0.890 732 L HN 0.243 nan 8.230 nan 0.000 0.432 733 L N -0.760 120.405 121.223 -0.097 0.000 2.141 733 L HA -0.200 4.162 4.340 0.036 0.000 0.209 733 L C 2.444 179.283 176.870 -0.052 0.000 1.094 733 L CA 1.429 56.233 54.840 -0.061 0.000 0.763 733 L CB -0.740 41.295 42.059 -0.040 0.000 0.908 733 L HN 0.257 nan 8.230 nan 0.000 0.437 734 T N 0.229 114.749 114.554 -0.057 0.000 2.708 734 T HA -0.178 4.194 4.350 0.036 0.000 0.266 734 T C 1.956 176.620 174.700 -0.060 0.000 1.037 734 T CA 1.295 63.368 62.100 -0.046 0.000 1.146 734 T CB -0.247 68.595 68.868 -0.043 0.000 0.865 734 T HN 0.193 nan 8.240 nan 0.000 0.435 735 L N 0.235 121.403 121.223 -0.092 0.000 2.046 735 L HA -0.096 4.266 4.340 0.036 0.000 0.208 735 L C 2.732 179.531 176.870 -0.119 0.000 1.077 735 L CA 1.353 56.119 54.840 -0.124 0.000 0.747 735 L CB -0.540 41.425 42.059 -0.156 0.000 0.896 735 L HN 0.312 nan 8.230 nan 0.000 0.432 736 M N -0.711 118.834 119.600 -0.092 0.000 2.149 736 M HA -0.203 4.299 4.480 0.036 0.000 0.261 736 M C 2.422 178.718 176.300 -0.007 0.000 1.064 736 M CA 1.798 57.063 55.300 -0.057 0.000 1.102 736 M CB -0.517 32.058 32.600 -0.042 0.000 1.369 736 M HN 0.325 nan 8.290 nan 0.000 0.408 737 A N 0.092 122.909 122.820 -0.005 0.000 2.070 737 A HA 0.050 4.392 4.320 0.036 0.000 0.220 737 A C 2.099 179.721 177.584 0.064 0.000 1.159 737 A CA 1.705 53.760 52.037 0.030 0.000 0.656 737 A CB -0.599 18.414 19.000 0.021 0.000 0.800 737 A HN 0.514 nan 8.150 nan 0.000 0.453 738 A N -2.895 119.941 122.820 0.027 0.000 2.345 738 A HA 0.402 4.744 4.320 0.036 0.000 0.225 738 A C 0.864 178.463 177.584 0.024 0.000 1.243 738 A CA 1.135 53.199 52.037 0.046 0.000 0.875 738 A CB -0.350 18.635 19.000 -0.025 0.000 0.929 738 A HN 0.934 nan 8.150 nan 0.000 0.502 739 H N -1.240 117.762 119.070 -0.113 0.000 4.823 739 H HA -0.171 4.407 4.556 0.037 0.000 0.064 739 H C -0.004 175.104 175.328 -0.368 0.000 0.599 739 H CA 2.330 58.296 56.048 -0.136 0.000 0.956 739 H CB -0.597 29.188 29.762 0.037 0.000 0.432 739 H HN 0.447 nan 8.280 nan 0.000 0.798 740 R N -0.379 119.555 120.500 -0.943 0.000 2.799 740 R HA 0.614 4.976 4.340 0.036 0.000 0.270 740 R C -0.779 174.672 176.300 -1.415 0.000 1.010 740 R CA -0.274 55.032 56.100 -1.323 0.000 0.916 740 R CB 1.746 30.898 30.300 -1.913 0.000 1.228 740 R HN 0.065 nan 8.270 nan 0.000 0.469 741 V N 2.344 121.647 119.914 -1.019 0.000 2.221 741 V HA 0.126 4.268 4.120 0.036 0.000 0.258 741 V C 0.668 176.368 176.094 -0.657 0.000 1.179 741 V CA -0.461 61.408 62.300 -0.718 0.000 1.022 741 V CB -0.149 31.404 31.823 -0.450 0.000 1.228 741 V HN 0.719 nan 8.190 nan 0.000 0.487 742 W N 1.673 122.679 121.300 -0.489 0.000 2.392 742 W HA -0.165 4.517 4.660 0.036 0.000 0.279 742 W C 2.509 178.816 176.519 -0.353 0.000 1.225 742 W CA 0.814 57.772 57.345 -0.644 0.000 1.233 742 W CB -0.408 28.217 29.460 -1.392 0.000 1.122 742 W HN 0.657 nan 8.180 nan 0.000 0.561 743 S N 0.762 116.412 115.700 -0.084 0.000 2.474 743 S HA -0.164 4.328 4.470 0.036 0.000 0.235 743 S C 1.734 176.296 174.600 -0.063 0.000 0.997 743 S CA 0.946 59.122 58.200 -0.041 0.000 0.949 743 S CB -0.448 62.729 63.200 -0.039 0.000 0.766 743 S HN 0.407 nan 8.310 nan 0.000 0.517 744 R N 0.804 121.221 120.500 -0.137 0.000 2.235 744 R HA 0.174 4.535 4.340 0.036 0.000 0.213 744 R C 1.867 178.102 176.300 -0.109 0.000 1.059 744 R CA 0.665 56.664 56.100 -0.169 0.000 0.997 744 R CB -0.455 29.631 30.300 -0.355 0.000 0.884 744 R HN 0.481 nan 8.270 nan 0.000 0.462 745 I N 1.595 122.138 120.570 -0.044 0.000 2.145 745 I HA -0.260 3.932 4.170 0.036 0.000 0.244 745 I C -0.825 175.317 176.117 0.041 0.000 1.075 745 I CA 1.501 62.818 61.300 0.028 0.000 1.332 745 I CB -0.868 37.199 38.000 0.112 0.000 1.033 745 I HN 0.177 nan 8.210 nan 0.000 0.410 746 P HA -0.127 nan 4.420 nan 0.000 0.230 746 P C 1.050 178.380 177.300 0.050 0.000 1.158 746 P CA 1.240 64.370 63.100 0.051 0.000 0.769 746 P CB -0.050 31.678 31.700 0.047 0.000 0.807 747 K N -0.331 120.093 120.400 0.041 0.000 2.361 747 K HA 0.100 4.442 4.320 0.036 0.000 0.196 747 K C 1.883 178.549 176.600 0.112 0.000 1.039 747 K CA 0.697 57.034 56.287 0.083 0.000 1.001 747 K CB -0.238 32.339 32.500 0.129 0.000 0.795 747 K HN 0.304 nan 8.250 nan 0.000 0.495 748 I N -1.388 119.218 120.570 0.060 0.000 2.928 748 I HA -0.061 4.130 4.170 0.036 0.000 0.266 748 I C 1.066 177.227 176.117 0.073 0.000 1.234 748 I CA 0.912 62.252 61.300 0.067 0.000 1.483 748 I CB -0.074 37.916 38.000 -0.017 0.000 1.097 748 I HN -0.139 nan 8.210 nan 0.000 0.455 749 D N 2.530 122.973 120.400 0.071 0.000 2.182 749 D HA -0.166 4.496 4.640 0.036 0.000 0.201 749 D C 1.779 178.117 176.300 0.064 0.000 0.986 749 D CA 1.455 55.497 54.000 0.070 0.000 0.847 749 D CB 0.020 40.860 40.800 0.068 0.000 0.942 749 D HN 0.432 nan 8.370 nan 0.000 0.467 750 K N 0.006 120.444 120.400 0.063 0.000 2.379 750 K HA 0.213 4.555 4.320 0.036 0.000 0.194 750 K C 0.849 177.478 176.600 0.047 0.000 1.031 750 K CA -0.147 56.170 56.287 0.051 0.000 1.037 750 K CB 0.806 33.334 32.500 0.046 0.000 0.824 750 K HN 0.157 nan 8.250 nan 0.000 0.516 751 I N 3.375 123.980 120.570 0.058 0.000 2.371 751 I HA 0.160 4.352 4.170 0.036 0.000 0.290 751 I C -2.285 173.857 176.117 0.041 0.000 1.028 751 I CA -2.439 58.888 61.300 0.045 0.000 1.345 751 I CB 1.066 39.108 38.000 0.071 0.000 1.407 751 I HN -0.013 nan 8.210 nan 0.000 0.501 752 P HA 0.376 nan 4.420 nan 0.000 0.262 752 P C -1.020 176.332 177.300 0.087 0.000 1.620 752 P CA -0.108 63.024 63.100 0.054 0.000 1.089 752 P CB 0.712 32.441 31.700 0.047 0.000 1.601 753 A N 0.000 122.871 122.820 0.084 0.000 2.254 753 A HA 0.000 4.342 4.320 0.036 0.000 0.244 753 A CA 0.000 52.118 52.037 0.135 0.000 0.836 753 A CB 0.000 18.947 19.000 -0.089 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486