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 1h5n_1_A DATA FIRST_RESID 4 DATA SEQUENCE ANGTVMSGSH WGVFTATVEN GRATAFTPWE KDPHPSPMLA GVLDSIYSPT DATA SEQUENCE RIKYPMVRRE FLEKGVNADR STRGNGDFVR VSWDQALDLV AAEVKRVEET DATA SEQUENCE YGPEGVFGGS YGWKSPGRLH NCTTLLRRML TLAGGYVNGA GDYSTGAAQV DATA SEQUENCE IMPHVVGTLE VYEQQTAWPV LAENTEVMVF WAADPIKTSQ IGWVIPEHGA DATA SEQUENCE YPGLEALKAK GTKVIVIDPV RTKTVEFFGA EHITPKPQTD VAIMLGMAHT DATA SEQUENCE LVAEDLYDKD FIANYTSGFD KFLPYLDGET DSTPKTAEWA EGISGVPAET DATA SEQUENCE IKELARLFES KRTMLAAGWS MQRMHHGEQA HWMLVTLASM LGQIGLPGGG DATA SEQUENCE FGLSYHYSGG GTPSTSGPAL AGITDGGXXX XXXXXXXXXX ASVIPVARVV DATA SEQUENCE DMLENPGAEF DFNGTRSKFP DVKMAYWVGG NPFVHHQDRN RMVKAWEKLE DATA SEQUENCE TFVVHDFQWT PTARHADIVL PATTSYERND IETIGDYSNT GILAMKKIVE DATA SEQUENCE PLYEARSDYD IFAAVAERLG KGAEFTEGKD EMGWIKSFYD DAAKQGKAAG DATA SEQUENCE VQMPAFDAFW AEGIVEFPVT DGADFVRYAS FREDPLLNPL GTPTGLIEIY DATA SEQUENCE SKNIEKMGYD DCPAHPTWME PLERLDGPGA KYPLHIAASH PFNRLHSQLN DATA SEQUENCE GTVLREGYAV QGHEPCLMHP DDAAARGIAD GDVVRVHNDR GQILTGVKVT DATA SEQUENCE DAVMKGVIQI YEGGWYDPSD VTEPGTLDKY GDVNVLSADI GTSKLAQGNC DATA SEQUENCE GQTVLAEVEK YTGPAVTLTG FVAPKAAE 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.590 177.584 0.010 0.000 1.274 4 A CA 0.000 52.043 52.037 0.010 0.000 0.836 4 A CB 0.000 19.011 19.000 0.018 0.000 0.831 5 N N 1.394 120.098 118.700 0.006 0.000 2.577 5 N HA 0.681 5.420 4.740 -0.001 0.000 0.275 5 N C 0.017 175.529 175.510 0.003 0.000 1.091 5 N CA 0.612 53.665 53.050 0.004 0.000 0.843 5 N CB 2.090 40.576 38.487 -0.001 0.000 1.295 5 N HN 1.400 nan 8.380 nan 0.000 0.530 6 G N 0.084 108.889 108.800 0.007 0.000 2.356 6 G HA2 0.326 4.285 3.960 -0.001 0.000 0.281 6 G HA3 0.326 4.285 3.960 -0.001 0.000 0.281 6 G C -1.354 173.550 174.900 0.006 0.000 1.246 6 G CA -0.434 44.667 45.100 0.002 0.000 0.889 6 G HN 0.337 nan 8.290 nan 0.000 0.486 7 T N -2.660 111.890 114.554 -0.007 0.000 2.907 7 T HA 0.783 5.132 4.350 -0.001 0.000 0.292 7 T C -1.178 173.495 174.700 -0.044 0.000 1.043 7 T CA -0.796 61.297 62.100 -0.011 0.000 1.003 7 T CB 2.033 70.892 68.868 -0.015 0.000 1.084 7 T HN 1.281 nan 8.240 nan 0.000 0.483 8 V N 2.901 122.776 119.914 -0.066 0.000 2.777 8 V HA 0.497 4.616 4.120 -0.001 0.000 0.306 8 V C -0.431 175.522 176.094 -0.235 0.000 1.112 8 V CA -0.927 61.295 62.300 -0.129 0.000 0.917 8 V CB 2.014 33.784 31.823 -0.088 0.000 1.018 8 V HN 1.133 nan 8.190 nan 0.000 0.426 9 M N 3.454 122.862 119.600 -0.320 0.000 2.277 9 M HA 0.747 5.226 4.480 -0.001 0.000 0.350 9 M C -0.106 175.828 176.300 -0.609 0.000 1.180 9 M CA 0.579 55.594 55.300 -0.475 0.000 1.103 9 M CB 1.571 33.913 32.600 -0.430 0.000 1.577 9 M HN 0.817 nan 8.290 nan 0.000 0.459 10 S N 1.973 117.113 115.700 -0.933 0.000 2.800 10 S HA 0.949 5.419 4.470 -0.001 0.000 0.293 10 S C -0.918 173.120 174.600 -0.935 0.000 1.209 10 S CA -0.209 57.509 58.200 -0.804 0.000 0.884 10 S CB 1.612 64.476 63.200 -0.560 0.000 1.244 10 S HN 1.012 nan 8.310 nan 0.000 0.540 11 G N 0.241 108.786 108.800 -0.425 0.000 2.727 11 G HA2 0.748 4.707 3.960 -0.001 0.000 0.289 11 G HA3 0.748 4.707 3.960 -0.001 0.000 0.289 11 G C -0.944 174.147 174.900 0.318 0.000 1.418 11 G CA 0.212 45.263 45.100 -0.082 0.000 0.818 11 G HN 1.636 nan 8.290 nan 0.000 0.486 12 S N -2.445 113.458 115.700 0.339 0.000 2.683 12 S HA 0.346 4.815 4.470 -0.001 0.000 0.269 12 S C 0.151 174.890 174.600 0.231 0.000 1.165 12 S CA -0.517 57.922 58.200 0.399 0.000 0.840 12 S CB 0.951 64.629 63.200 0.796 0.000 1.169 12 S HN 0.546 nan 8.310 nan 0.000 0.490 13 H N -0.116 119.051 119.070 0.161 0.000 2.521 13 H HA 0.068 4.623 4.556 -0.001 0.000 0.286 13 H C 0.636 175.861 175.328 -0.171 0.000 1.034 13 H CA 1.454 57.407 56.048 -0.158 0.000 1.278 13 H CB 0.024 29.470 29.762 -0.527 0.000 1.386 13 H HN 0.574 nan 8.280 nan 0.000 0.567 14 W N 0.699 122.195 121.300 0.327 0.000 3.077 14 W HA 0.336 4.996 4.660 -0.001 0.000 0.266 14 W C 0.661 177.364 176.519 0.306 0.000 1.300 14 W CA 0.845 58.368 57.345 0.297 0.000 1.586 14 W CB 0.863 30.464 29.460 0.236 0.000 1.103 14 W HN 0.193 nan 8.180 nan 0.000 0.652 15 G N -0.099 108.947 108.800 0.411 0.000 2.353 15 G HA2 0.018 3.977 3.960 -0.001 0.000 0.424 15 G HA3 0.018 3.977 3.960 -0.001 0.000 0.424 15 G C -1.425 173.666 174.900 0.318 0.000 1.320 15 G CA -1.220 44.060 45.100 0.300 0.000 0.995 15 G HN -0.214 nan 8.290 nan 0.000 0.580 16 V N 0.679 120.708 119.914 0.192 0.000 2.649 16 V HA 0.742 4.861 4.120 -0.001 0.000 0.292 16 V C 0.389 176.569 176.094 0.143 0.000 1.055 16 V CA 0.740 63.010 62.300 -0.050 0.000 1.023 16 V CB 0.321 31.860 31.823 -0.473 0.000 0.992 16 V HN 1.293 nan 8.190 nan 0.000 0.480 17 F N 0.712 120.577 119.950 -0.141 0.000 2.711 17 F HA 0.748 5.274 4.527 -0.001 0.000 0.313 17 F C -0.580 175.104 175.800 -0.194 0.000 1.141 17 F CA -0.896 57.038 58.000 -0.110 0.000 0.941 17 F CB 1.688 40.593 39.000 -0.159 0.000 1.349 17 F HN 0.237 nan 8.300 nan 0.000 0.464 18 T N 1.701 116.279 114.554 0.040 0.000 2.797 18 T HA 0.751 5.100 4.350 -0.001 0.000 0.279 18 T C -0.420 174.342 174.700 0.103 0.000 0.991 18 T CA -0.420 61.645 62.100 -0.059 0.000 0.979 18 T CB 1.358 70.221 68.868 -0.009 0.000 0.943 18 T HN 0.922 nan 8.240 nan 0.000 0.444 19 A N 2.845 125.690 122.820 0.041 0.000 2.306 19 A HA 0.679 4.998 4.320 -0.001 0.000 0.314 19 A C 0.401 178.065 177.584 0.133 0.000 1.164 19 A CA -0.587 51.564 52.037 0.189 0.000 0.822 19 A CB 0.426 19.550 19.000 0.206 0.000 1.130 19 A HN 0.699 nan 8.150 nan 0.000 0.496 20 T N 1.874 116.523 114.554 0.158 0.000 2.767 20 T HA 0.493 4.843 4.350 -0.001 0.000 0.288 20 T C -0.319 174.435 174.700 0.089 0.000 0.963 20 T CA -0.115 62.038 62.100 0.089 0.000 1.019 20 T CB 0.755 69.662 68.868 0.065 0.000 0.923 20 T HN 0.418 nan 8.240 nan 0.000 0.468 21 V N 4.249 124.199 119.914 0.060 0.000 2.495 21 V HA 0.460 4.580 4.120 -0.001 0.000 0.298 21 V C -0.224 175.885 176.094 0.025 0.000 1.031 21 V CA -0.825 61.508 62.300 0.055 0.000 0.871 21 V CB 1.796 33.655 31.823 0.060 0.000 0.988 21 V HN 0.869 nan 8.190 nan 0.000 0.432 22 E N 4.101 124.308 120.200 0.012 0.000 2.255 22 E HA 0.390 4.739 4.350 -0.001 0.000 0.256 22 E C -0.699 175.894 176.600 -0.010 0.000 0.887 22 E CA -0.764 55.634 56.400 -0.005 0.000 0.782 22 E CB 1.174 30.864 29.700 -0.018 0.000 1.214 22 E HN 0.660 nan 8.360 nan 0.000 0.417 23 N N 2.251 120.948 118.700 -0.006 0.000 2.705 23 N HA -0.227 4.513 4.740 -0.001 0.000 0.255 23 N C 0.699 176.208 175.510 -0.002 0.000 1.008 23 N CA 1.383 54.429 53.050 -0.006 0.000 0.742 23 N CB -0.998 37.480 38.487 -0.014 0.000 0.906 23 N HN 1.093 nan 8.380 nan 0.000 0.541 24 G N -0.686 108.121 108.800 0.012 0.000 2.175 24 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.265 24 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.265 24 G C 0.135 175.064 174.900 0.048 0.000 0.979 24 G CA 0.858 45.974 45.100 0.027 0.000 0.663 24 G HN 0.712 nan 8.290 nan 0.000 0.533 25 R N 0.205 120.723 120.500 0.030 0.000 2.562 25 R HA 0.684 5.023 4.340 -0.001 0.000 0.298 25 R C 0.382 176.714 176.300 0.053 0.000 0.961 25 R CA -0.078 56.039 56.100 0.029 0.000 0.881 25 R CB 1.065 31.291 30.300 -0.123 0.000 1.159 25 R HN 0.509 nan 8.270 nan 0.000 0.450 26 A N 2.116 125.038 122.820 0.171 0.000 2.409 26 A HA 0.211 4.530 4.320 -0.001 0.000 0.262 26 A C 0.799 178.399 177.584 0.028 0.000 1.113 26 A CA -0.115 52.026 52.037 0.173 0.000 0.790 26 A CB 0.464 19.660 19.000 0.326 0.000 1.046 26 A HN 0.911 nan 8.150 nan 0.000 0.496 27 T N -1.179 113.384 114.554 0.016 0.000 3.003 27 T HA 0.590 4.940 4.350 -0.001 0.000 0.261 27 T C 0.290 174.960 174.700 -0.049 0.000 1.003 27 T CA 0.582 62.646 62.100 -0.059 0.000 0.917 27 T CB 0.088 68.924 68.868 -0.052 0.000 1.084 27 T HN 1.795 nan 8.240 nan 0.000 0.522 28 A N 0.828 123.664 122.820 0.027 0.000 2.594 28 A HA 0.663 4.982 4.320 -0.001 0.000 0.296 28 A C -2.079 175.660 177.584 0.259 0.000 1.061 28 A CA -0.751 51.310 52.037 0.041 0.000 0.689 28 A CB 1.031 20.056 19.000 0.041 0.000 1.280 28 A HN 0.146 nan 8.150 nan 0.000 0.406 29 F N 1.276 121.176 119.950 -0.083 0.000 2.427 29 F HA 0.622 5.148 4.527 -0.001 0.000 0.348 29 F C 0.338 176.131 175.800 -0.012 0.000 1.125 29 F CA -0.738 57.213 58.000 -0.082 0.000 0.989 29 F CB 2.146 40.892 39.000 -0.425 0.000 1.165 29 F HN 0.440 nan 8.300 nan 0.000 0.442 30 T N 5.569 120.264 114.554 0.236 0.000 2.779 30 T HA 0.416 4.765 4.350 -0.001 0.000 0.280 30 T C -2.617 172.202 174.700 0.199 0.000 0.987 30 T CA -1.659 60.537 62.100 0.160 0.000 0.966 30 T CB 1.779 70.716 68.868 0.115 0.000 0.933 30 T HN 0.095 nan 8.240 nan 0.000 0.442 31 P HA -0.016 nan 4.420 nan 0.000 0.265 31 P C -0.351 177.107 177.300 0.263 0.000 1.187 31 P CA -0.559 62.677 63.100 0.227 0.000 0.766 31 P CB 0.373 32.164 31.700 0.152 0.000 0.820 32 W N 4.545 125.894 121.300 0.082 0.000 2.314 32 W HA -0.043 4.616 4.660 -0.001 0.000 0.339 32 W C 1.436 177.972 176.519 0.028 0.000 1.293 32 W CA -0.286 57.076 57.345 0.029 0.000 1.288 32 W CB -0.176 29.298 29.460 0.024 0.000 1.186 32 W HN 0.620 nan 8.180 nan 0.000 0.566 33 E N 2.936 123.165 120.200 0.048 0.000 2.333 33 E HA -0.213 4.137 4.350 -0.001 0.000 0.198 33 E C 0.961 177.338 176.600 -0.371 0.000 1.007 33 E CA 1.419 57.740 56.400 -0.130 0.000 0.845 33 E CB -0.083 29.576 29.700 -0.067 0.000 0.766 33 E HN 0.557 nan 8.360 nan 0.000 0.507 34 K N 0.858 120.709 120.400 -0.915 0.000 2.417 34 K HA 0.053 4.372 4.320 -0.001 0.000 0.196 34 K C 0.024 176.190 176.600 -0.722 0.000 1.023 34 K CA -0.053 55.649 56.287 -0.975 0.000 1.122 34 K CB 0.286 31.860 32.500 -1.542 0.000 0.850 34 K HN 0.067 nan 8.250 nan 0.000 0.521 35 D N 1.972 122.154 120.400 -0.364 0.000 2.317 35 D HA 0.034 4.673 4.640 -0.001 0.000 0.252 35 D C -1.385 174.923 176.300 0.012 0.000 1.174 35 D CA -2.095 51.914 54.000 0.016 0.000 0.866 35 D CB 1.477 42.452 40.800 0.291 0.000 1.127 35 D HN -0.027 nan 8.370 nan 0.000 0.467 36 P HA -0.061 nan 4.420 nan 0.000 0.229 36 P C -0.177 177.172 177.300 0.083 0.000 1.160 36 P CA 0.663 63.796 63.100 0.055 0.000 0.777 36 P CB 0.378 32.127 31.700 0.082 0.000 0.814 37 H N -0.976 118.059 119.070 -0.058 0.000 2.734 37 H HA 0.347 4.902 4.556 -0.001 0.000 0.247 37 H C -2.846 172.195 175.328 -0.477 0.000 1.415 37 H CA -1.520 54.342 56.048 -0.309 0.000 1.514 37 H CB 0.530 29.953 29.762 -0.565 0.000 1.841 37 H HN -0.100 nan 8.280 nan 0.000 0.609 38 P HA 0.054 nan 4.420 nan 0.000 0.272 38 P C -0.291 176.837 177.300 -0.286 0.000 1.230 38 P CA -0.228 62.765 63.100 -0.177 0.000 0.788 38 P CB 1.184 32.875 31.700 -0.015 0.000 0.949 39 S N 1.620 117.258 115.700 -0.104 0.000 2.499 39 S HA 0.343 4.812 4.470 -0.001 0.000 0.279 39 S C -1.620 172.984 174.600 0.007 0.000 1.219 39 S CA -1.649 56.542 58.200 -0.016 0.000 1.062 39 S CB -0.083 63.245 63.200 0.214 0.000 0.978 39 S HN 0.209 nan 8.310 nan 0.000 0.489 40 P HA -0.001 nan 4.420 nan 0.000 0.228 40 P C 1.053 178.332 177.300 -0.035 0.000 1.151 40 P CA 0.956 64.047 63.100 -0.014 0.000 0.770 40 P CB 0.030 31.736 31.700 0.010 0.000 0.786 41 M N -1.565 118.018 119.600 -0.029 0.000 2.460 41 M HA -0.073 4.406 4.480 -0.001 0.000 0.263 41 M C 1.811 177.884 176.300 -0.379 0.000 1.071 41 M CA 1.123 56.317 55.300 -0.176 0.000 1.096 41 M CB -0.662 31.835 32.600 -0.172 0.000 1.408 41 M HN -0.020 nan 8.290 nan 0.000 0.463 42 L N -0.025 121.044 121.223 -0.257 0.000 2.081 42 L HA -0.260 4.079 4.340 -0.001 0.000 0.212 42 L C 2.818 179.494 176.870 -0.322 0.000 1.080 42 L CA 1.347 56.026 54.840 -0.269 0.000 0.754 42 L CB -0.898 41.104 42.059 -0.095 0.000 0.893 42 L HN 0.345 nan 8.230 nan 0.000 0.433 43 A N 0.253 122.924 122.820 -0.248 0.000 1.892 43 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 43 A C 2.376 179.771 177.584 -0.314 0.000 1.188 43 A CA 2.016 53.898 52.037 -0.258 0.000 0.631 43 A CB -1.268 17.631 19.000 -0.169 0.000 0.822 43 A HN 0.469 nan 8.150 nan 0.000 0.447 44 G N -0.942 107.681 108.800 -0.295 0.000 2.422 44 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.218 44 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.218 44 G C 1.452 176.149 174.900 -0.338 0.000 1.140 44 G CA 1.072 46.008 45.100 -0.274 0.000 0.775 44 G HN 0.332 nan 8.290 nan 0.000 0.545 45 V N 0.947 120.559 119.914 -0.503 0.000 2.295 45 V HA -0.165 3.954 4.120 -0.001 0.000 0.246 45 V C 2.664 178.470 176.094 -0.481 0.000 1.049 45 V CA 1.722 63.736 62.300 -0.476 0.000 1.024 45 V CB -0.525 30.974 31.823 -0.541 0.000 0.648 45 V HN 0.399 nan 8.190 nan 0.000 0.447 46 L N 0.764 121.476 121.223 -0.850 0.000 2.046 46 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 46 L C 2.045 178.655 176.870 -0.434 0.000 1.077 46 L CA 2.463 56.629 54.840 -1.124 0.000 0.747 46 L CB -0.884 40.279 42.059 -1.492 0.000 0.896 46 L HN 0.370 nan 8.230 nan 0.000 0.432 47 D N -0.994 119.229 120.400 -0.294 0.000 2.218 47 D HA -0.186 4.453 4.640 -0.001 0.000 0.204 47 D C 2.288 178.576 176.300 -0.021 0.000 0.976 47 D CA 1.185 55.125 54.000 -0.101 0.000 0.853 47 D CB -0.018 40.711 40.800 -0.117 0.000 0.939 47 D HN 0.604 nan 8.370 nan 0.000 0.481 48 S N -0.724 114.956 115.700 -0.033 0.000 2.447 48 S HA -0.089 4.380 4.470 -0.001 0.000 0.233 48 S C 2.133 176.782 174.600 0.082 0.000 1.006 48 S CA 0.340 58.606 58.200 0.110 0.000 0.957 48 S CB -0.584 62.769 63.200 0.255 0.000 0.773 48 S HN 0.359 nan 8.310 nan 0.000 0.507 49 I N -0.401 120.100 120.570 -0.114 0.000 2.315 49 I HA -0.126 4.043 4.170 -0.001 0.000 0.248 49 I C 1.712 177.560 176.117 -0.449 0.000 1.117 49 I CA 1.456 62.533 61.300 -0.371 0.000 1.404 49 I CB -0.241 37.353 38.000 -0.675 0.000 1.071 49 I HN 0.319 nan 8.210 nan 0.000 0.419 50 Y N -0.058 120.275 120.300 0.056 0.000 2.445 50 Y HA 0.169 4.718 4.550 -0.001 0.000 0.247 50 Y C 1.794 177.755 175.900 0.100 0.000 1.129 50 Y CA -0.441 57.708 58.100 0.082 0.000 1.251 50 Y CB 0.117 38.582 38.460 0.008 0.000 1.176 50 Y HN 0.027 nan 8.280 nan 0.000 0.522 51 S N 0.860 116.678 115.700 0.198 0.000 2.598 51 S HA 0.034 4.504 4.470 -0.001 0.000 0.256 51 S C -1.695 173.005 174.600 0.167 0.000 1.350 51 S CA -0.901 57.392 58.200 0.156 0.000 0.984 51 S CB 0.564 63.834 63.200 0.116 0.000 0.930 51 S HN -0.046 nan 8.310 nan 0.000 0.577 52 P HA 0.007 nan 4.420 nan 0.000 0.222 52 P C 0.969 178.375 177.300 0.177 0.000 1.147 52 P CA 1.184 64.361 63.100 0.127 0.000 0.790 52 P CB -0.340 31.417 31.700 0.094 0.000 0.780 53 T N -4.356 110.349 114.554 0.253 0.000 3.163 53 T HA 0.199 4.548 4.350 -0.001 0.000 0.252 53 T C 0.693 175.610 174.700 0.360 0.000 1.056 53 T CA -0.483 61.849 62.100 0.388 0.000 0.947 53 T CB -0.351 68.840 68.868 0.538 0.000 1.016 53 T HN -0.137 nan 8.240 nan 0.000 0.554 54 R N 2.077 122.722 120.500 0.242 0.000 2.522 54 R HA 0.243 4.583 4.340 -0.001 0.000 0.284 54 R C -0.274 176.041 176.300 0.025 0.000 1.032 54 R CA -0.491 55.706 56.100 0.161 0.000 1.049 54 R CB -0.455 29.951 30.300 0.177 0.000 0.956 54 R HN 0.411 nan 8.270 nan 0.000 0.422 55 I N 6.508 126.981 120.570 -0.162 0.000 2.363 55 I HA 0.002 4.171 4.170 -0.001 0.000 0.292 55 I C 1.093 177.027 176.117 -0.306 0.000 1.075 55 I CA 0.082 61.135 61.300 -0.412 0.000 1.333 55 I CB 1.011 38.567 38.000 -0.740 0.000 1.415 55 I HN 0.707 nan 8.210 nan 0.000 0.502 56 K N 5.469 125.590 120.400 -0.465 0.000 2.067 56 K HA 0.062 4.381 4.320 -0.001 0.000 0.203 56 K C -0.322 175.856 176.600 -0.704 0.000 1.048 56 K CA 1.141 56.919 56.287 -0.848 0.000 0.954 56 K CB 0.207 31.689 32.500 -1.696 0.000 0.737 56 K HN 0.435 nan 8.250 nan 0.000 0.444 57 Y N -0.232 120.007 120.300 -0.102 0.000 2.605 57 Y HA 0.315 4.864 4.550 -0.001 0.000 0.343 57 Y C -2.545 173.165 175.900 -0.317 0.000 1.036 57 Y CA -3.300 54.700 58.100 -0.166 0.000 1.065 57 Y CB 0.977 39.362 38.460 -0.125 0.000 1.288 57 Y HN -0.142 nan 8.280 nan 0.000 0.481 58 P HA 0.177 nan 4.420 nan 0.000 0.276 58 P C -0.858 176.291 177.300 -0.252 0.000 1.235 58 P CA 0.198 62.983 63.100 -0.525 0.000 0.772 58 P CB 0.515 31.639 31.700 -0.960 0.000 0.871 59 M N 2.169 121.647 119.600 -0.204 0.000 2.572 59 M HA 0.470 4.949 4.480 -0.001 0.000 0.299 59 M C -0.909 175.416 176.300 0.042 0.000 1.205 59 M CA -1.034 54.230 55.300 -0.059 0.000 0.876 59 M CB 2.111 34.644 32.600 -0.113 0.000 1.728 59 M HN -0.041 nan 8.290 nan 0.000 0.458 60 V N 1.328 121.353 119.914 0.186 0.000 2.588 60 V HA 0.485 4.604 4.120 -0.001 0.000 0.304 60 V C 0.072 176.375 176.094 0.348 0.000 1.042 60 V CA -0.956 61.488 62.300 0.240 0.000 0.877 60 V CB 2.185 34.120 31.823 0.186 0.000 0.996 60 V HN 0.860 nan 8.190 nan 0.000 0.425 61 R N 2.874 123.562 120.500 0.313 0.000 2.538 61 R HA 0.095 4.434 4.340 -0.001 0.000 0.282 61 R C 1.615 177.943 176.300 0.048 0.000 1.009 61 R CA 0.112 56.211 56.100 -0.003 0.000 1.063 61 R CB 0.351 30.610 30.300 -0.068 0.000 0.945 61 R HN 0.762 nan 8.270 nan 0.000 0.414 62 R N 3.196 123.671 120.500 -0.042 0.000 2.094 62 R HA -0.246 4.093 4.340 -0.001 0.000 0.239 62 R C 1.073 177.383 176.300 0.017 0.000 1.137 62 R CA 2.462 58.561 56.100 -0.002 0.000 0.943 62 R CB -0.026 30.252 30.300 -0.037 0.000 0.850 62 R HN 0.740 nan 8.270 nan 0.000 0.433 63 E N -0.313 119.890 120.200 0.004 0.000 2.085 63 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 63 E C 1.583 178.228 176.600 0.075 0.000 0.994 63 E CA 1.703 58.119 56.400 0.027 0.000 0.801 63 E CB -0.315 29.399 29.700 0.023 0.000 0.743 63 E HN 0.359 nan 8.360 nan 0.000 0.453 64 F N 0.530 120.475 119.950 -0.008 0.000 2.186 64 F HA -0.067 4.459 4.527 -0.001 0.000 0.299 64 F C 1.917 177.729 175.800 0.021 0.000 1.090 64 F CA 0.930 58.942 58.000 0.020 0.000 1.307 64 F CB -0.047 38.977 39.000 0.041 0.000 1.019 64 F HN 0.009 nan 8.300 nan 0.000 0.489 65 L N -0.002 121.290 121.223 0.116 0.000 2.046 65 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 65 L C 2.126 178.955 176.870 -0.069 0.000 1.077 65 L CA 1.965 56.822 54.840 0.027 0.000 0.747 65 L CB -0.427 41.676 42.059 0.074 0.000 0.896 65 L HN 0.260 nan 8.230 nan 0.000 0.432 66 E N -0.411 119.758 120.200 -0.052 0.000 2.033 66 E HA -0.173 4.176 4.350 -0.001 0.000 0.189 66 E C 1.782 178.326 176.600 -0.094 0.000 0.979 66 E CA 0.948 57.312 56.400 -0.060 0.000 0.802 66 E CB 0.126 29.807 29.700 -0.033 0.000 0.763 66 E HN 0.440 nan 8.360 nan 0.000 0.449 67 K N -0.003 120.332 120.400 -0.109 0.000 2.353 67 K HA 0.158 4.477 4.320 -0.001 0.000 0.195 67 K C 0.999 177.485 176.600 -0.191 0.000 1.031 67 K CA 0.363 56.583 56.287 -0.112 0.000 1.079 67 K CB 1.252 33.720 32.500 -0.053 0.000 0.857 67 K HN 0.190 nan 8.250 nan 0.000 0.535 68 G N 1.584 110.139 108.800 -0.409 0.000 2.622 68 G HA2 -0.432 3.527 3.960 -0.001 0.000 0.307 68 G HA3 -0.432 3.527 3.960 -0.001 0.000 0.307 68 G C 1.068 175.811 174.900 -0.261 0.000 1.226 68 G CA 1.083 45.782 45.100 -0.669 0.000 0.997 68 G HN 0.222 nan 8.290 nan 0.000 0.551 69 V N -1.161 118.699 119.914 -0.089 0.000 2.594 69 V HA -0.036 4.084 4.120 -0.001 0.000 0.253 69 V C 1.994 178.117 176.094 0.047 0.000 1.069 69 V CA 2.811 65.147 62.300 0.059 0.000 1.082 69 V CB -0.490 31.383 31.823 0.083 0.000 0.680 69 V HN 0.584 nan 8.190 nan 0.000 0.469 70 N N 1.473 120.175 118.700 0.003 0.000 2.449 70 N HA 0.331 5.070 4.740 -0.001 0.000 0.191 70 N C 0.776 176.297 175.510 0.019 0.000 1.161 70 N CA 0.755 53.812 53.050 0.012 0.000 0.863 70 N CB 0.039 38.524 38.487 -0.004 0.000 0.980 70 N HN 0.742 nan 8.380 nan 0.000 0.458 71 A N 0.646 123.487 122.820 0.035 0.000 2.492 71 A HA -0.010 4.310 4.320 -0.001 0.000 0.236 71 A C 0.349 177.970 177.584 0.061 0.000 1.078 71 A CA -0.126 51.944 52.037 0.056 0.000 0.773 71 A CB 0.169 19.249 19.000 0.133 0.000 1.023 71 A HN 0.130 nan 8.150 nan 0.000 0.504 72 D N 0.407 120.834 120.400 0.046 0.000 2.352 72 D HA 0.162 4.802 4.640 -0.001 0.000 0.245 72 D C 0.985 177.321 176.300 0.058 0.000 1.224 72 D CA -0.011 54.014 54.000 0.041 0.000 0.879 72 D CB 0.314 41.127 40.800 0.021 0.000 1.057 72 D HN 0.468 nan 8.370 nan 0.000 0.491 73 R N 1.689 122.234 120.500 0.075 0.000 2.313 73 R HA -0.022 4.318 4.340 -0.001 0.000 0.199 73 R C 1.890 178.245 176.300 0.091 0.000 0.958 73 R CA 0.508 56.667 56.100 0.099 0.000 1.047 73 R CB 0.089 30.457 30.300 0.113 0.000 0.955 73 R HN 0.411 nan 8.270 nan 0.000 0.481 74 S N -0.035 115.703 115.700 0.063 0.000 2.481 74 S HA -0.086 4.383 4.470 -0.001 0.000 0.231 74 S C 1.769 176.392 174.600 0.039 0.000 0.996 74 S CA 1.113 59.348 58.200 0.059 0.000 0.942 74 S CB -0.113 63.113 63.200 0.043 0.000 0.768 74 S HN 0.323 nan 8.310 nan 0.000 0.520 75 T N -0.782 113.778 114.554 0.010 0.000 3.107 75 T HA 0.293 4.643 4.350 -0.001 0.000 0.249 75 T C 0.649 175.297 174.700 -0.086 0.000 1.096 75 T CA -0.606 61.469 62.100 -0.041 0.000 1.012 75 T CB -0.344 68.487 68.868 -0.061 0.000 0.977 75 T HN 0.263 nan 8.240 nan 0.000 0.527 76 R N 1.098 121.581 120.500 -0.028 0.000 2.619 76 R HA 0.318 4.657 4.340 -0.001 0.000 0.268 76 R C 1.548 177.672 176.300 -0.294 0.000 0.990 76 R CA 1.201 57.254 56.100 -0.078 0.000 1.092 76 R CB -0.212 30.157 30.300 0.115 0.000 0.935 76 R HN 0.541 nan 8.270 nan 0.000 0.415 77 G N 1.932 110.396 108.800 -0.559 0.000 2.176 77 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.253 77 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.253 77 G C 0.554 175.143 174.900 -0.518 0.000 0.979 77 G CA 0.461 44.990 45.100 -0.951 0.000 0.641 77 G HN 0.767 nan 8.290 nan 0.000 0.530 78 N N 0.782 119.262 118.700 -0.367 0.000 2.461 78 N HA 0.348 5.087 4.740 -0.001 0.000 0.188 78 N C 1.763 177.110 175.510 -0.272 0.000 1.134 78 N CA 1.304 54.194 53.050 -0.267 0.000 0.878 78 N CB -0.357 38.012 38.487 -0.196 0.000 0.972 78 N HN 1.728 nan 8.380 nan 0.000 0.456 79 G N -0.157 108.434 108.800 -0.348 0.000 2.176 79 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.253 79 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.253 79 G C -0.469 174.266 174.900 -0.276 0.000 0.979 79 G CA 0.183 45.132 45.100 -0.252 0.000 0.641 79 G HN 0.585 nan 8.290 nan 0.000 0.530 80 D N 0.640 120.795 120.400 -0.410 0.000 2.483 80 D HA 0.532 5.171 4.640 -0.001 0.000 0.220 80 D C 0.156 176.248 176.300 -0.346 0.000 1.173 80 D CA -0.250 53.584 54.000 -0.277 0.000 0.964 80 D CB -0.593 40.081 40.800 -0.209 0.000 1.046 80 D HN 0.185 nan 8.370 nan 0.000 0.517 81 F N 1.237 121.145 119.950 -0.070 0.000 2.541 81 F HA 0.547 5.073 4.527 -0.001 0.000 0.331 81 F C 0.269 176.057 175.800 -0.020 0.000 1.057 81 F CA -1.035 56.948 58.000 -0.029 0.000 0.975 81 F CB 1.698 40.692 39.000 -0.011 0.000 1.246 81 F HN -0.138 nan 8.300 nan 0.000 0.484 82 V N 1.757 121.807 119.914 0.228 0.000 2.531 82 V HA 0.408 4.527 4.120 -0.001 0.000 0.301 82 V C -0.308 175.839 176.094 0.089 0.000 1.034 82 V CA -1.077 61.291 62.300 0.112 0.000 0.865 82 V CB 1.675 33.540 31.823 0.070 0.000 0.995 82 V HN 0.665 nan 8.190 nan 0.000 0.424 83 R N 3.667 124.186 120.500 0.033 0.000 2.442 83 R HA 0.578 4.917 4.340 -0.001 0.000 0.291 83 R C -0.548 175.718 176.300 -0.057 0.000 1.069 83 R CA -0.094 55.992 56.100 -0.024 0.000 1.022 83 R CB 1.053 31.295 30.300 -0.096 0.000 0.976 83 R HN 0.705 nan 8.270 nan 0.000 0.443 84 V N 0.745 120.607 119.914 -0.086 0.000 3.141 84 V HA 0.616 4.735 4.120 -0.001 0.000 0.312 84 V C -0.159 175.857 176.094 -0.130 0.000 1.157 84 V CA -0.844 61.405 62.300 -0.084 0.000 1.041 84 V CB 1.704 33.494 31.823 -0.054 0.000 1.071 84 V HN 0.937 nan 8.190 nan 0.000 0.441 85 S N -0.012 115.641 115.700 -0.078 0.000 2.614 85 S HA 0.274 4.743 4.470 -0.001 0.000 0.265 85 S C 0.403 174.972 174.600 -0.051 0.000 1.303 85 S CA -0.019 58.154 58.200 -0.046 0.000 1.000 85 S CB 0.516 63.732 63.200 0.026 0.000 0.935 85 S HN 0.892 nan 8.310 nan 0.000 0.551 86 W N 0.469 121.774 121.300 0.009 0.000 2.358 86 W HA -0.062 4.597 4.660 -0.001 0.000 0.303 86 W C 1.895 178.413 176.519 -0.002 0.000 1.208 86 W CA 1.162 58.506 57.345 -0.002 0.000 1.274 86 W CB -0.223 29.235 29.460 -0.004 0.000 1.138 86 W HN 0.715 nan 8.180 nan 0.000 0.515 87 D N -0.657 119.889 120.400 0.242 0.000 2.117 87 D HA -0.226 4.413 4.640 -0.001 0.000 0.198 87 D C 1.910 178.274 176.300 0.106 0.000 0.982 87 D CA 1.421 55.511 54.000 0.151 0.000 0.828 87 D CB -0.657 40.205 40.800 0.103 0.000 0.967 87 D HN 0.312 nan 8.370 nan 0.000 0.464 88 Q N 0.379 120.224 119.800 0.075 0.000 2.084 88 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 88 Q C 2.027 178.058 176.000 0.050 0.000 0.978 88 Q CA 1.580 57.412 55.803 0.049 0.000 0.844 88 Q CB -0.011 28.741 28.738 0.023 0.000 0.898 88 Q HN 0.184 nan 8.270 nan 0.000 0.426 89 A N 0.558 123.394 122.820 0.027 0.000 1.898 89 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 89 A C 2.028 179.659 177.584 0.079 0.000 1.181 89 A CA 1.147 53.188 52.037 0.006 0.000 0.620 89 A CB -0.652 18.263 19.000 -0.142 0.000 0.819 89 A HN 0.441 nan 8.150 nan 0.000 0.442 90 L N -0.517 120.794 121.223 0.146 0.000 2.093 90 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 90 L C 2.044 178.984 176.870 0.115 0.000 1.085 90 L CA 1.301 56.235 54.840 0.157 0.000 0.755 90 L CB -0.626 41.539 42.059 0.176 0.000 0.904 90 L HN 0.270 nan 8.230 nan 0.000 0.435 91 D N 0.021 120.480 120.400 0.098 0.000 2.117 91 D HA -0.176 4.463 4.640 -0.001 0.000 0.197 91 D C 2.069 178.423 176.300 0.090 0.000 0.987 91 D CA 1.057 55.107 54.000 0.083 0.000 0.829 91 D CB -0.142 40.698 40.800 0.068 0.000 0.961 91 D HN 0.109 nan 8.370 nan 0.000 0.460 92 L N 0.590 121.870 121.223 0.095 0.000 2.017 92 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 92 L C 2.259 179.212 176.870 0.137 0.000 1.073 92 L CA 1.335 56.243 54.840 0.115 0.000 0.745 92 L CB -0.551 41.584 42.059 0.125 0.000 0.894 92 L HN -0.119 nan 8.230 nan 0.000 0.432 93 V N 0.107 120.099 119.914 0.129 0.000 2.287 93 V HA -0.319 3.801 4.120 -0.001 0.000 0.248 93 V C 2.800 178.999 176.094 0.174 0.000 1.053 93 V CA 1.753 64.143 62.300 0.149 0.000 1.027 93 V CB -1.386 30.537 31.823 0.168 0.000 0.646 93 V HN 0.618 nan 8.190 nan 0.000 0.447 94 A N -0.120 122.790 122.820 0.150 0.000 1.933 94 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 94 A C 2.412 180.069 177.584 0.121 0.000 1.175 94 A CA 2.129 54.246 52.037 0.133 0.000 0.628 94 A CB -0.776 18.283 19.000 0.100 0.000 0.814 94 A HN 0.592 nan 8.150 nan 0.000 0.444 95 A N -0.658 122.229 122.820 0.112 0.000 1.933 95 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 95 A C 1.981 179.638 177.584 0.121 0.000 1.175 95 A CA 1.660 53.757 52.037 0.100 0.000 0.628 95 A CB -0.348 18.704 19.000 0.087 0.000 0.814 95 A HN 0.462 nan 8.150 nan 0.000 0.444 96 E N -0.227 120.065 120.200 0.153 0.000 2.107 96 E HA -0.070 4.279 4.350 -0.001 0.000 0.191 96 E C 2.236 178.945 176.600 0.181 0.000 0.982 96 E CA 1.104 57.613 56.400 0.182 0.000 0.809 96 E CB -0.451 29.384 29.700 0.224 0.000 0.756 96 E HN 0.382 nan 8.360 nan 0.000 0.459 97 V N 1.759 121.784 119.914 0.185 0.000 2.295 97 V HA -0.271 3.848 4.120 -0.001 0.000 0.246 97 V C 2.571 178.754 176.094 0.148 0.000 1.049 97 V CA 2.059 64.471 62.300 0.187 0.000 1.024 97 V CB -0.446 31.499 31.823 0.202 0.000 0.648 97 V HN 0.217 nan 8.190 nan 0.000 0.447 98 K N 0.272 120.746 120.400 0.123 0.000 2.009 98 K HA -0.253 4.067 4.320 -0.001 0.000 0.210 98 K C 2.420 179.072 176.600 0.087 0.000 1.049 98 K CA 1.991 58.334 56.287 0.094 0.000 0.929 98 K CB -0.272 32.274 32.500 0.077 0.000 0.714 98 K HN 0.305 nan 8.250 nan 0.000 0.440 99 R N 0.292 120.848 120.500 0.094 0.000 2.083 99 R HA -0.132 4.208 4.340 -0.001 0.000 0.237 99 R C 2.043 178.400 176.300 0.095 0.000 1.137 99 R CA 1.823 57.969 56.100 0.077 0.000 0.951 99 R CB -0.284 30.069 30.300 0.088 0.000 0.851 99 R HN 0.129 nan 8.270 nan 0.000 0.434 100 V N 1.597 121.615 119.914 0.173 0.000 2.358 100 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 100 V C 2.332 178.559 176.094 0.223 0.000 1.047 100 V CA 1.836 64.304 62.300 0.280 0.000 1.035 100 V CB -0.450 31.544 31.823 0.285 0.000 0.658 100 V HN 0.381 nan 8.190 nan 0.000 0.452 101 E N 0.098 120.392 120.200 0.157 0.000 2.085 101 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 101 E C 2.209 178.855 176.600 0.076 0.000 0.994 101 E CA 1.495 57.968 56.400 0.123 0.000 0.801 101 E CB -0.150 29.612 29.700 0.103 0.000 0.743 101 E HN 0.692 nan 8.360 nan 0.000 0.453 102 E N -0.263 119.963 120.200 0.044 0.000 2.107 102 E HA -0.079 4.270 4.350 -0.001 0.000 0.191 102 E C 1.938 178.502 176.600 -0.061 0.000 0.982 102 E CA 1.266 57.666 56.400 0.001 0.000 0.809 102 E CB 0.154 29.854 29.700 0.000 0.000 0.756 102 E HN 0.140 nan 8.360 nan 0.000 0.459 103 T N -0.780 113.688 114.554 -0.143 0.000 2.894 103 T HA -0.038 4.312 4.350 -0.001 0.000 0.258 103 T C 1.016 175.436 174.700 -0.466 0.000 1.043 103 T CA 0.891 62.753 62.100 -0.397 0.000 1.141 103 T CB -0.046 68.400 68.868 -0.704 0.000 0.873 103 T HN 0.236 nan 8.240 nan 0.000 0.449 104 Y N 0.525 120.852 120.300 0.045 0.000 2.426 104 Y HA 0.458 5.007 4.550 -0.001 0.000 0.249 104 Y C 1.497 177.423 175.900 0.043 0.000 1.103 104 Y CA -0.168 57.958 58.100 0.043 0.000 1.256 104 Y CB 0.724 39.213 38.460 0.049 0.000 1.208 104 Y HN 0.381 nan 8.280 nan 0.000 0.519 105 G N 1.357 110.257 108.800 0.166 0.000 2.757 105 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.638 105 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.638 105 G C -2.146 172.831 174.900 0.129 0.000 1.344 105 G CA -0.489 44.681 45.100 0.117 0.000 0.855 105 G HN 0.009 nan 8.290 nan 0.000 0.537 106 P HA -0.007 nan 4.420 nan 0.000 0.220 106 P C 1.248 178.604 177.300 0.093 0.000 1.148 106 P CA 1.741 64.891 63.100 0.082 0.000 0.803 106 P CB -0.023 31.693 31.700 0.026 0.000 0.782 107 E N -0.136 120.117 120.200 0.089 0.000 2.338 107 E HA -0.029 4.320 4.350 -0.001 0.000 0.197 107 E C 2.122 178.780 176.600 0.097 0.000 1.007 107 E CA 1.190 57.645 56.400 0.091 0.000 0.849 107 E CB -1.341 28.408 29.700 0.082 0.000 0.774 107 E HN 0.304 nan 8.360 nan 0.000 0.506 108 G N 0.076 108.946 108.800 0.117 0.000 2.985 108 G HA2 0.099 4.058 3.960 -0.001 0.000 0.209 108 G HA3 0.099 4.058 3.960 -0.001 0.000 0.209 108 G C 0.007 174.963 174.900 0.093 0.000 1.165 108 G CA -0.146 44.996 45.100 0.070 0.000 0.776 108 G HN 0.071 nan 8.290 nan 0.000 0.541 109 V N 0.974 120.976 119.914 0.146 0.000 2.407 109 V HA 0.425 4.544 4.120 -0.001 0.000 0.291 109 V C -1.211 175.016 176.094 0.222 0.000 1.018 109 V CA -1.122 61.285 62.300 0.178 0.000 0.842 109 V CB 1.454 33.388 31.823 0.185 0.000 0.996 109 V HN 0.163 nan 8.190 nan 0.000 0.426 110 F N 3.849 123.831 119.950 0.053 0.000 2.405 110 F HA 0.725 5.251 4.527 -0.001 0.000 0.355 110 F C 0.875 176.668 175.800 -0.012 0.000 1.121 110 F CA -0.671 57.341 58.000 0.021 0.000 1.112 110 F CB 1.507 40.486 39.000 -0.036 0.000 1.126 110 F HN 0.511 nan 8.300 nan 0.000 0.481 111 G N 3.566 111.952 108.800 -0.690 0.000 4.250 111 G HA2 0.246 4.206 3.960 -0.001 0.000 0.295 111 G HA3 0.246 4.206 3.960 -0.001 0.000 0.295 111 G C 1.011 175.353 174.900 -0.930 0.000 1.081 111 G CA 0.141 44.807 45.100 -0.724 0.000 0.854 111 G HN 0.973 nan 8.290 nan 0.000 0.524 112 G N 0.285 108.185 108.800 -1.499 0.000 2.408 112 G HA2 0.001 3.960 3.960 -0.001 0.000 0.217 112 G HA3 0.001 3.960 3.960 -0.001 0.000 0.217 112 G C 1.086 175.578 174.900 -0.680 0.000 1.150 112 G CA 1.104 45.651 45.100 -0.922 0.000 0.776 112 G HN 1.037 nan 8.290 nan 0.000 0.542 113 S N -1.015 114.020 115.700 -1.108 0.000 3.378 113 S HA -0.272 4.198 4.470 -0.001 0.000 0.365 113 S C 0.220 174.612 174.600 -0.347 0.000 0.951 113 S CA 0.171 57.614 58.200 -1.261 0.000 1.274 113 S CB -1.704 61.094 63.200 -0.669 0.000 0.915 113 S HN 0.600 nan 8.310 nan 0.000 0.513 114 Y N 1.137 121.444 120.300 0.011 0.000 2.610 114 Y HA 0.431 4.980 4.550 -0.001 0.000 0.332 114 Y C 0.849 177.051 175.900 0.504 0.000 1.201 114 Y CA 1.541 59.838 58.100 0.328 0.000 1.465 114 Y CB 0.278 38.998 38.460 0.432 0.000 1.283 114 Y HN 0.635 nan 8.280 nan 0.000 0.563 115 G N 4.067 112.726 108.800 -0.235 0.000 2.377 115 G HA2 0.007 3.967 3.960 -0.001 0.000 0.297 115 G HA3 0.007 3.967 3.960 -0.001 0.000 0.297 115 G C -1.178 173.784 174.900 0.103 0.000 1.547 115 G CA -0.949 44.195 45.100 0.073 0.000 0.833 115 G HN 0.713 nan 8.290 nan 0.000 0.583 116 W N 1.821 123.212 121.300 0.151 0.000 2.800 116 W HA 0.154 4.813 4.660 -0.001 0.000 0.249 116 W C 2.145 178.788 176.519 0.207 0.000 1.294 116 W CA 0.945 58.445 57.345 0.258 0.000 1.402 116 W CB 0.147 29.752 29.460 0.242 0.000 1.126 116 W HN 1.077 nan 8.180 nan 0.000 0.652 117 K N -0.707 119.895 120.400 0.338 0.000 2.262 117 K HA -0.327 3.992 4.320 -0.001 0.000 0.128 117 K C 0.070 176.871 176.600 0.335 0.000 1.418 117 K CA 1.415 57.855 56.287 0.256 0.000 0.647 117 K CB -1.818 30.745 32.500 0.104 0.000 0.516 117 K HN -0.087 nan 8.250 nan 0.000 0.989 118 S N 1.436 117.192 115.700 0.094 0.000 2.570 118 S HA 0.575 5.044 4.470 -0.001 0.000 0.286 118 S C -2.740 171.597 174.600 -0.440 0.000 1.099 118 S CA -1.148 56.958 58.200 -0.156 0.000 0.913 118 S CB 2.232 65.430 63.200 -0.003 0.000 1.085 118 S HN 0.500 nan 8.310 nan 0.000 0.480 119 P HA 0.511 nan 4.420 nan 0.000 0.273 119 P C -0.244 176.894 177.300 -0.270 0.000 1.250 119 P CA 0.072 62.851 63.100 -0.535 0.000 0.793 119 P CB 0.263 31.676 31.700 -0.478 0.000 1.011 120 G N 0.233 108.912 108.800 -0.202 0.000 2.542 120 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.391 120 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.391 120 G C 0.243 175.085 174.900 -0.097 0.000 1.551 120 G CA -0.688 44.366 45.100 -0.077 0.000 0.946 120 G HN 0.259 nan 8.290 nan 0.000 0.662 121 R N 0.989 121.445 120.500 -0.073 0.000 2.153 121 R HA 0.081 4.420 4.340 -0.001 0.000 0.218 121 R C 2.330 178.499 176.300 -0.219 0.000 1.072 121 R CA 1.063 57.034 56.100 -0.214 0.000 0.990 121 R CB -0.327 29.789 30.300 -0.306 0.000 0.889 121 R HN 0.570 nan 8.270 nan 0.000 0.452 122 L N -0.023 121.185 121.223 -0.024 0.000 2.189 122 L HA 0.087 4.427 4.340 -0.001 0.000 0.199 122 L C 0.831 177.562 176.870 -0.232 0.000 1.074 122 L CA 1.457 56.227 54.840 -0.116 0.000 0.783 122 L CB -0.367 41.536 42.059 -0.259 0.000 0.955 122 L HN 0.084 nan 8.230 nan 0.000 0.460 123 H N 1.443 120.511 119.070 -0.004 0.000 2.768 123 H HA 0.202 4.757 4.556 -0.001 0.000 0.219 123 H C -0.271 175.056 175.328 -0.002 0.000 1.898 123 H CA -0.133 55.929 56.048 0.023 0.000 1.313 123 H CB -0.870 28.903 29.762 0.017 0.000 1.701 123 H HN 0.250 nan 8.280 nan 0.000 0.534 124 N N 2.002 120.722 118.700 0.034 0.000 2.918 124 N HA -0.019 4.721 4.740 -0.001 0.000 0.247 124 N C 1.392 176.917 175.510 0.025 0.000 1.117 124 N CA -0.357 52.677 53.050 -0.027 0.000 1.005 124 N CB -0.135 38.284 38.487 -0.113 0.000 1.297 124 N HN 0.430 nan 8.380 nan 0.000 0.513 125 C N 0.886 120.242 119.300 0.093 0.000 2.413 125 C HA -0.138 4.322 4.460 -0.001 0.000 0.276 125 C C 2.472 177.506 174.990 0.072 0.000 1.248 125 C CA 1.434 60.558 59.018 0.175 0.000 1.742 125 C CB -1.588 26.290 27.740 0.231 0.000 2.017 125 C HN 0.682 nan 8.230 nan 0.000 0.481 126 T N -1.476 113.070 114.554 -0.013 0.000 2.857 126 T HA -0.110 4.239 4.350 -0.001 0.000 0.266 126 T C 1.601 176.180 174.700 -0.203 0.000 1.048 126 T CA 2.155 64.183 62.100 -0.119 0.000 1.139 126 T CB -1.167 67.643 68.868 -0.096 0.000 0.874 126 T HN 0.579 nan 8.240 nan 0.000 0.455 127 T N 2.261 116.720 114.554 -0.158 0.000 2.821 127 T HA 0.161 4.510 4.350 -0.001 0.000 0.267 127 T C 1.876 176.423 174.700 -0.256 0.000 1.046 127 T CA 0.971 62.953 62.100 -0.198 0.000 1.139 127 T CB -0.480 68.287 68.868 -0.168 0.000 0.871 127 T HN 0.290 nan 8.240 nan 0.000 0.454 128 L N 0.532 121.633 121.223 -0.203 0.000 2.083 128 L HA -0.072 4.267 4.340 -0.001 0.000 0.209 128 L C 2.431 178.928 176.870 -0.622 0.000 1.083 128 L CA 0.771 55.495 54.840 -0.193 0.000 0.752 128 L CB -0.591 41.559 42.059 0.152 0.000 0.899 128 L HN 0.247 nan 8.230 nan 0.000 0.433 129 L N 0.165 120.858 121.223 -0.883 0.000 1.989 129 L HA -0.228 4.111 4.340 -0.001 0.000 0.211 129 L C 2.681 178.995 176.870 -0.926 0.000 1.071 129 L CA 1.823 55.827 54.840 -1.393 0.000 0.749 129 L CB -0.505 41.067 42.059 -0.811 0.000 0.890 129 L HN 0.080 nan 8.230 nan 0.000 0.431 130 R N -0.875 119.209 120.500 -0.693 0.000 2.152 130 R HA -0.143 4.197 4.340 -0.001 0.000 0.232 130 R C 2.446 178.532 176.300 -0.357 0.000 1.117 130 R CA 1.294 56.987 56.100 -0.678 0.000 0.981 130 R CB -0.383 29.579 30.300 -0.564 0.000 0.870 130 R HN 0.437 nan 8.270 nan 0.000 0.451 131 R N 0.528 120.851 120.500 -0.295 0.000 2.075 131 R HA -0.076 4.263 4.340 -0.001 0.000 0.232 131 R C 2.287 178.572 176.300 -0.026 0.000 1.126 131 R CA 1.179 57.182 56.100 -0.161 0.000 0.963 131 R CB -0.076 30.053 30.300 -0.284 0.000 0.858 131 R HN 0.116 nan 8.270 nan 0.000 0.435 132 M N 0.788 120.352 119.600 -0.060 0.000 2.099 132 M HA -0.127 4.352 4.480 -0.001 0.000 0.262 132 M C 1.878 178.125 176.300 -0.088 0.000 1.067 132 M CA 1.636 56.903 55.300 -0.054 0.000 1.124 132 M CB -0.393 32.030 32.600 -0.295 0.000 1.353 132 M HN 0.275 nan 8.290 nan 0.000 0.410 133 L N -0.533 120.566 121.223 -0.207 0.000 2.131 133 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 133 L C 2.246 179.186 176.870 0.116 0.000 1.092 133 L CA 1.435 56.229 54.840 -0.077 0.000 0.759 133 L CB -1.086 40.830 42.059 -0.238 0.000 0.903 133 L HN 0.301 nan 8.230 nan 0.000 0.435 134 T N 0.341 114.978 114.554 0.138 0.000 2.746 134 T HA -0.143 4.206 4.350 -0.001 0.000 0.267 134 T C 1.963 176.712 174.700 0.082 0.000 1.039 134 T CA 1.175 63.365 62.100 0.151 0.000 1.142 134 T CB -0.181 68.758 68.868 0.118 0.000 0.866 134 T HN 0.210 nan 8.240 nan 0.000 0.444 135 L N 0.620 121.884 121.223 0.070 0.000 2.141 135 L HA 0.044 4.384 4.340 -0.001 0.000 0.209 135 L C 2.769 179.677 176.870 0.064 0.000 1.094 135 L CA 0.827 55.709 54.840 0.069 0.000 0.763 135 L CB -0.471 41.645 42.059 0.096 0.000 0.908 135 L HN 0.216 nan 8.230 nan 0.000 0.437 136 A N -0.733 122.127 122.820 0.066 0.000 2.206 136 A HA 0.275 4.594 4.320 -0.001 0.000 0.211 136 A C 1.728 179.356 177.584 0.072 0.000 1.158 136 A CA 1.000 53.078 52.037 0.070 0.000 0.761 136 A CB -0.245 18.801 19.000 0.076 0.000 0.801 136 A HN 0.519 nan 8.150 nan 0.000 0.473 137 G N -3.376 105.466 108.800 0.069 0.000 2.318 137 G HA2 0.411 4.370 3.960 -0.001 0.000 0.172 137 G HA3 0.411 4.370 3.960 -0.001 0.000 0.172 137 G C 1.054 175.985 174.900 0.053 0.000 1.002 137 G CA 0.365 45.500 45.100 0.057 0.000 0.697 137 G HN 2.289 nan 8.290 nan 0.000 0.483 138 G N -1.049 107.805 108.800 0.089 0.000 2.462 138 G HA2 0.597 4.556 3.960 -0.001 0.000 0.685 138 G HA3 0.597 4.556 3.960 -0.001 0.000 0.685 138 G C -0.595 174.385 174.900 0.134 0.000 1.295 138 G CA 0.081 45.203 45.100 0.037 0.000 0.941 138 G HN 2.074 nan 8.290 nan 0.000 0.554 139 Y N -4.022 116.266 120.300 -0.019 0.000 2.741 139 Y HA 0.673 5.222 4.550 -0.001 0.000 0.339 139 Y C -0.456 175.434 175.900 -0.016 0.000 1.226 139 Y CA -1.423 56.663 58.100 -0.024 0.000 1.072 139 Y CB 0.626 39.030 38.460 -0.093 0.000 1.331 139 Y HN 0.889 nan 8.280 nan 0.000 0.453 140 V N 2.759 122.779 119.914 0.177 0.000 2.432 140 V HA 0.331 4.450 4.120 -0.001 0.000 0.275 140 V C -0.257 175.941 176.094 0.173 0.000 1.043 140 V CA -0.343 62.056 62.300 0.165 0.000 0.925 140 V CB 0.888 32.894 31.823 0.305 0.000 0.985 140 V HN 0.767 nan 8.190 nan 0.000 0.466 141 N N 2.580 121.352 118.700 0.120 0.000 2.502 141 N HA 0.645 5.384 4.740 -0.001 0.000 0.280 141 N C -0.020 175.548 175.510 0.096 0.000 1.223 141 N CA -0.007 53.086 53.050 0.071 0.000 0.966 141 N CB 2.033 40.600 38.487 0.133 0.000 1.203 141 N HN 0.755 nan 8.380 nan 0.000 0.565 142 G N -1.299 107.529 108.800 0.048 0.000 2.441 142 G HA2 0.717 4.676 3.960 -0.001 0.000 0.334 142 G HA3 0.717 4.676 3.960 -0.001 0.000 0.334 142 G C -1.433 173.510 174.900 0.072 0.000 1.161 142 G CA -0.476 44.714 45.100 0.149 0.000 0.935 142 G HN 0.609 nan 8.290 nan 0.000 0.488 143 A N -0.163 122.668 122.820 0.019 0.000 2.355 143 A HA 0.971 5.290 4.320 -0.001 0.000 0.317 143 A C 0.673 178.255 177.584 -0.003 0.000 1.094 143 A CA 0.491 52.522 52.037 -0.011 0.000 0.764 143 A CB 1.037 19.988 19.000 -0.082 0.000 1.230 143 A HN 2.644 nan 8.150 nan 0.000 0.448 144 G N 1.691 110.523 108.800 0.053 0.000 2.584 144 G HA2 0.273 4.233 3.960 -0.001 0.000 0.229 144 G HA3 0.273 4.233 3.960 -0.001 0.000 0.229 144 G C -0.607 174.376 174.900 0.139 0.000 1.320 144 G CA 0.744 45.887 45.100 0.072 0.000 0.891 144 G HN 2.148 nan 8.290 nan 0.000 0.573 145 D N -3.349 117.119 120.400 0.113 0.000 2.643 145 D HA 0.563 5.202 4.640 -0.001 0.000 0.283 145 D C 0.110 176.418 176.300 0.013 0.000 1.242 145 D CA -0.747 53.407 54.000 0.255 0.000 0.863 145 D CB 0.176 41.220 40.800 0.406 0.000 1.382 145 D HN 0.335 nan 8.370 nan 0.000 0.444 146 Y N -0.080 120.144 120.300 -0.127 0.000 2.519 146 Y HA 0.105 4.654 4.550 -0.001 0.000 0.287 146 Y C 2.260 178.231 175.900 0.119 0.000 1.128 146 Y CA 0.775 58.826 58.100 -0.082 0.000 1.282 146 Y CB 0.107 38.448 38.460 -0.198 0.000 1.027 146 Y HN 0.340 nan 8.280 nan 0.000 0.551 147 S N -0.857 115.051 115.700 0.346 0.000 2.345 147 S HA -0.105 4.365 4.470 -0.001 0.000 0.219 147 S C 1.341 175.945 174.600 0.007 0.000 1.031 147 S CA 1.734 60.125 58.200 0.318 0.000 0.984 147 S CB -0.540 62.879 63.200 0.364 0.000 0.874 147 S HN 0.494 nan 8.310 nan 0.000 0.451 148 T N -1.246 113.185 114.554 -0.204 0.000 3.697 148 T HA 0.509 4.859 4.350 -0.001 0.000 0.260 148 T C 1.172 175.741 174.700 -0.218 0.000 0.998 148 T CA 0.043 61.874 62.100 -0.448 0.000 1.128 148 T CB 0.508 68.792 68.868 -0.974 0.000 1.082 148 T HN 0.200 nan 8.240 nan 0.000 0.541 149 G N 1.926 110.672 108.800 -0.089 0.000 2.529 149 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.219 149 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.219 149 G C 1.547 176.431 174.900 -0.025 0.000 1.177 149 G CA 0.987 46.055 45.100 -0.054 0.000 0.773 149 G HN 0.817 nan 8.290 nan 0.000 0.573 150 A N 0.646 123.457 122.820 -0.016 0.000 1.878 150 A HA 0.526 4.846 4.320 -0.001 0.000 0.213 150 A C 2.797 180.366 177.584 -0.025 0.000 1.192 150 A CA 1.790 53.835 52.037 0.012 0.000 0.619 150 A CB -0.746 18.288 19.000 0.056 0.000 0.837 150 A HN 0.841 nan 8.150 nan 0.000 0.446 151 A N 0.577 123.355 122.820 -0.069 0.000 1.940 151 A HA -0.239 4.080 4.320 -0.001 0.000 0.219 151 A C 2.201 179.667 177.584 -0.198 0.000 1.176 151 A CA 1.842 53.801 52.037 -0.129 0.000 0.631 151 A CB -0.713 18.104 19.000 -0.304 0.000 0.814 151 A HN 0.777 nan 8.150 nan 0.000 0.446 152 Q N -0.581 119.077 119.800 -0.237 0.000 2.369 152 Q HA -0.036 4.303 4.340 -0.001 0.000 0.206 152 Q C 1.408 177.339 176.000 -0.114 0.000 0.963 152 Q CA 1.716 57.397 55.803 -0.204 0.000 0.894 152 Q CB -0.272 28.353 28.738 -0.189 0.000 0.965 152 Q HN 0.360 nan 8.270 nan 0.000 0.475 153 V N 0.317 120.185 119.914 -0.077 0.000 2.575 153 V HA -0.095 4.024 4.120 -0.001 0.000 0.242 153 V C 2.007 178.065 176.094 -0.059 0.000 1.045 153 V CA 0.793 63.057 62.300 -0.060 0.000 1.065 153 V CB -0.100 31.709 31.823 -0.023 0.000 0.717 153 V HN 0.328 nan 8.190 nan 0.000 0.467 154 I N -0.405 120.121 120.570 -0.073 0.000 2.617 154 I HA -0.085 4.085 4.170 -0.001 0.000 0.256 154 I C 2.187 178.181 176.117 -0.205 0.000 1.167 154 I CA 1.493 62.710 61.300 -0.137 0.000 1.469 154 I CB -0.214 37.681 38.000 -0.176 0.000 1.098 154 I HN 0.101 nan 8.210 nan 0.000 0.436 155 M N 0.784 120.286 119.600 -0.163 0.000 2.117 155 M HA -0.082 4.397 4.480 -0.001 0.000 0.262 155 M C -0.179 176.031 176.300 -0.150 0.000 1.065 155 M CA 1.870 57.082 55.300 -0.146 0.000 1.114 155 M CB -2.524 30.021 32.600 -0.091 0.000 1.361 155 M HN 0.104 nan 8.290 nan 0.000 0.408 156 P HA -0.150 nan 4.420 nan 0.000 0.218 156 P C 1.374 178.511 177.300 -0.272 0.000 1.148 156 P CA 1.320 64.286 63.100 -0.223 0.000 0.822 156 P CB -0.326 31.205 31.700 -0.282 0.000 0.784 157 H N -1.661 117.273 119.070 -0.226 0.000 2.470 157 H HA 0.050 4.605 4.556 -0.001 0.000 0.289 157 H C 1.752 176.908 175.328 -0.288 0.000 1.033 157 H CA 0.989 56.879 56.048 -0.264 0.000 1.331 157 H CB -0.259 29.281 29.762 -0.371 0.000 1.414 157 H HN 0.047 nan 8.280 nan 0.000 0.545 158 V N 0.452 120.233 119.914 -0.222 0.000 2.521 158 V HA -0.081 4.038 4.120 -0.001 0.000 0.239 158 V C 2.304 178.345 176.094 -0.088 0.000 1.053 158 V CA 1.244 63.410 62.300 -0.223 0.000 1.073 158 V CB 0.069 31.662 31.823 -0.382 0.000 0.746 158 V HN 0.338 nan 8.190 nan 0.000 0.476 159 V N -2.409 117.464 119.914 -0.068 0.000 3.528 159 V HA 0.665 4.784 4.120 -0.001 0.000 0.294 159 V C 1.354 177.441 176.094 -0.011 0.000 1.404 159 V CA 0.652 62.946 62.300 -0.011 0.000 1.065 159 V CB -0.138 31.750 31.823 0.108 0.000 0.904 159 V HN 0.728 nan 8.190 nan 0.000 0.435 160 G N 0.971 109.738 108.800 -0.054 0.000 2.159 160 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.256 160 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.256 160 G C 0.188 175.055 174.900 -0.055 0.000 0.977 160 G CA 0.662 45.723 45.100 -0.064 0.000 0.652 160 G HN 1.111 nan 8.290 nan 0.000 0.531 161 T N -1.927 112.606 114.554 -0.035 0.000 2.865 161 T HA 0.612 4.961 4.350 -0.001 0.000 0.294 161 T C 1.016 175.692 174.700 -0.040 0.000 1.119 161 T CA -0.118 61.965 62.100 -0.028 0.000 1.007 161 T CB 1.730 70.597 68.868 -0.002 0.000 1.225 161 T HN 0.715 nan 8.240 nan 0.000 0.515 162 L N 1.010 122.210 121.223 -0.038 0.000 2.017 162 L HA 0.032 4.371 4.340 -0.001 0.000 0.208 162 L C 1.927 178.757 176.870 -0.066 0.000 1.073 162 L CA 2.860 57.666 54.840 -0.056 0.000 0.745 162 L CB -0.854 41.195 42.059 -0.017 0.000 0.894 162 L HN 1.079 nan 8.230 nan 0.000 0.432 163 E N -1.880 118.313 120.200 -0.012 0.000 5.052 163 E HA -0.313 4.036 4.350 -0.001 0.000 0.167 163 E C 1.530 178.125 176.600 -0.007 0.000 1.146 163 E CA 2.230 58.650 56.400 0.034 0.000 2.262 163 E CB -1.886 27.881 29.700 0.113 0.000 1.785 163 E HN 0.475 nan 8.360 nan 0.000 0.455 164 V N -1.425 118.382 119.914 -0.179 0.000 2.548 164 V HA -0.000 4.119 4.120 -0.001 0.000 0.249 164 V C 1.449 177.403 176.094 -0.233 0.000 1.055 164 V CA 2.020 64.127 62.300 -0.321 0.000 1.065 164 V CB -0.631 30.671 31.823 -0.869 0.000 0.681 164 V HN 0.328 nan 8.190 nan 0.000 0.462 165 Y N 1.358 121.724 120.300 0.110 0.000 2.764 165 Y HA 0.651 5.200 4.550 -0.001 0.000 0.350 165 Y C 0.325 176.404 175.900 0.299 0.000 0.982 165 Y CA -1.341 56.903 58.100 0.240 0.000 1.431 165 Y CB -0.265 38.231 38.460 0.060 0.000 1.326 165 Y HN 0.455 nan 8.280 nan 0.000 0.550 166 E N -0.117 120.304 120.200 0.368 0.000 2.336 166 E HA 0.338 4.687 4.350 -0.001 0.000 0.267 166 E C -1.014 175.644 176.600 0.097 0.000 0.906 166 E CA -1.525 55.021 56.400 0.244 0.000 0.781 166 E CB 1.759 31.507 29.700 0.079 0.000 1.261 166 E HN -0.004 nan 8.360 nan 0.000 0.436 167 Q N 1.959 121.771 119.800 0.020 0.000 2.361 167 Q HA -0.028 4.311 4.340 -0.001 0.000 0.276 167 Q C -0.748 175.159 176.000 -0.156 0.000 1.022 167 Q CA 0.586 56.268 55.803 -0.202 0.000 0.898 167 Q CB 0.557 29.152 28.738 -0.237 0.000 1.246 167 Q HN 0.254 nan 8.270 nan 0.000 0.410 168 Q N 1.775 121.398 119.800 -0.295 0.000 2.193 168 Q HA 0.322 4.661 4.340 -0.001 0.000 0.246 168 Q C -0.394 175.619 176.000 0.022 0.000 0.959 168 Q CA -0.539 55.083 55.803 -0.302 0.000 0.904 168 Q CB 0.813 28.996 28.738 -0.925 0.000 1.238 168 Q HN 0.704 nan 8.270 nan 0.000 0.469 169 T N 1.599 116.136 114.554 -0.029 0.000 2.905 169 T HA 0.143 4.492 4.350 -0.001 0.000 0.299 169 T C 0.166 174.909 174.700 0.071 0.000 1.024 169 T CA 0.052 62.148 62.100 -0.008 0.000 1.151 169 T CB 0.124 68.956 68.868 -0.061 0.000 0.987 169 T HN 0.589 nan 8.240 nan 0.000 0.535 170 A N 3.373 126.269 122.820 0.127 0.000 2.498 170 A HA 0.152 4.471 4.320 -0.001 0.000 0.239 170 A C 1.036 178.699 177.584 0.132 0.000 1.068 170 A CA -0.307 51.814 52.037 0.141 0.000 0.766 170 A CB -0.020 19.098 19.000 0.196 0.000 1.003 170 A HN 1.106 nan 8.150 nan 0.000 0.497 171 W N 1.705 123.113 121.300 0.181 0.000 2.301 171 W HA -0.201 4.458 4.660 -0.001 0.000 0.325 171 W C -0.323 176.247 176.519 0.086 0.000 1.250 171 W CA 2.262 59.682 57.345 0.125 0.000 1.261 171 W CB -0.950 28.588 29.460 0.131 0.000 1.157 171 W HN 0.654 nan 8.180 nan 0.000 0.473 172 P HA -0.157 nan 4.420 nan 0.000 0.218 172 P C 1.442 178.829 177.300 0.144 0.000 1.148 172 P CA 1.717 64.939 63.100 0.204 0.000 0.822 172 P CB -0.318 31.484 31.700 0.169 0.000 0.784 173 V N 0.337 120.324 119.914 0.122 0.000 2.358 173 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 173 V C 2.786 178.909 176.094 0.048 0.000 1.047 173 V CA 1.460 63.799 62.300 0.066 0.000 1.035 173 V CB -1.178 30.665 31.823 0.034 0.000 0.658 173 V HN 0.021 nan 8.190 nan 0.000 0.452 174 L N 0.317 121.574 121.223 0.056 0.000 2.017 174 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 174 L C 2.786 179.695 176.870 0.066 0.000 1.073 174 L CA 1.680 56.534 54.840 0.023 0.000 0.745 174 L CB -1.012 41.032 42.059 -0.025 0.000 0.894 174 L HN 0.359 nan 8.230 nan 0.000 0.432 175 A N -0.209 122.686 122.820 0.125 0.000 1.978 175 A HA -0.175 4.144 4.320 -0.001 0.000 0.220 175 A C 2.144 179.772 177.584 0.073 0.000 1.170 175 A CA 1.510 53.614 52.037 0.113 0.000 0.636 175 A CB -0.271 18.808 19.000 0.133 0.000 0.810 175 A HN 0.396 nan 8.150 nan 0.000 0.448 176 E N -0.353 119.885 120.200 0.063 0.000 2.385 176 E HA 0.006 4.355 4.350 -0.001 0.000 0.194 176 E C 0.846 177.462 176.600 0.026 0.000 1.013 176 E CA 0.565 56.991 56.400 0.044 0.000 0.866 176 E CB -0.112 29.615 29.700 0.044 0.000 0.832 176 E HN 0.731 nan 8.360 nan 0.000 0.500 177 N N -0.097 118.613 118.700 0.016 0.000 2.325 177 N HA 0.020 4.759 4.740 -0.001 0.000 0.220 177 N C 0.025 175.526 175.510 -0.015 0.000 1.176 177 N CA 0.151 53.200 53.050 -0.001 0.000 0.861 177 N CB 0.836 39.317 38.487 -0.010 0.000 1.230 177 N HN -0.089 nan 8.380 nan 0.000 0.479 178 T N 1.562 116.102 114.554 -0.023 0.000 2.870 178 T HA 0.129 4.479 4.350 -0.001 0.000 0.300 178 T C 1.073 175.753 174.700 -0.033 0.000 0.989 178 T CA 0.429 62.501 62.100 -0.047 0.000 1.139 178 T CB 1.623 70.445 68.868 -0.077 0.000 0.920 178 T HN 0.121 nan 8.240 nan 0.000 0.537 179 E N 1.403 121.583 120.200 -0.035 0.000 2.290 179 E HA 0.161 4.510 4.350 -0.001 0.000 0.197 179 E C -0.152 176.431 176.600 -0.030 0.000 0.948 179 E CA 0.210 56.598 56.400 -0.019 0.000 0.895 179 E CB 0.738 30.435 29.700 -0.005 0.000 0.865 179 E HN 0.276 nan 8.360 nan 0.000 0.486 180 V N 2.117 121.999 119.914 -0.053 0.000 2.569 180 V HA 0.293 4.412 4.120 -0.001 0.000 0.301 180 V C -1.011 174.982 176.094 -0.168 0.000 1.044 180 V CA -0.691 61.566 62.300 -0.071 0.000 0.874 180 V CB 1.667 33.495 31.823 0.008 0.000 1.002 180 V HN 0.104 nan 8.190 nan 0.000 0.424 181 M N 6.696 126.153 119.600 -0.237 0.000 2.149 181 M HA 0.659 5.138 4.480 -0.001 0.000 0.342 181 M C -1.228 174.772 176.300 -0.501 0.000 1.068 181 M CA -0.161 54.894 55.300 -0.408 0.000 0.991 181 M CB 1.467 33.797 32.600 -0.450 0.000 1.596 181 M HN 0.372 nan 8.290 nan 0.000 0.439 182 V N 6.552 126.151 119.914 -0.525 0.000 2.384 182 V HA 0.440 4.559 4.120 -0.001 0.000 0.287 182 V C -0.901 174.942 176.094 -0.417 0.000 1.020 182 V CA -0.389 61.678 62.300 -0.388 0.000 0.850 182 V CB 0.987 32.636 31.823 -0.290 0.000 0.987 182 V HN 0.704 nan 8.190 nan 0.000 0.436 183 F N 4.269 124.237 119.950 0.031 0.000 2.334 183 F HA 0.317 4.843 4.527 -0.001 0.000 0.365 183 F C 0.083 175.967 175.800 0.140 0.000 1.124 183 F CA -0.264 57.795 58.000 0.098 0.000 1.166 183 F CB 0.763 39.819 39.000 0.093 0.000 1.355 183 F HN 0.522 nan 8.300 nan 0.000 0.532 184 W N 4.768 126.170 121.300 0.170 0.000 2.317 184 W HA 0.469 5.129 4.660 -0.001 0.000 0.327 184 W C 0.338 176.931 176.519 0.124 0.000 1.036 184 W CA -0.996 56.428 57.345 0.133 0.000 1.419 184 W CB 0.877 30.394 29.460 0.095 0.000 1.253 184 W HN 0.727 nan 8.180 nan 0.000 0.392 185 A N 3.994 127.066 122.820 0.420 0.000 2.872 185 A HA 0.022 4.341 4.320 -0.001 0.000 0.273 185 A C 0.014 177.683 177.584 0.142 0.000 1.442 185 A CA 1.388 53.599 52.037 0.290 0.000 0.801 185 A CB -1.787 17.405 19.000 0.319 0.000 1.031 185 A HN 1.375 nan 8.150 nan 0.000 0.582 186 A N -0.560 122.341 122.820 0.135 0.000 2.371 186 A HA 0.676 4.995 4.320 -0.001 0.000 0.311 186 A C -0.400 177.206 177.584 0.038 0.000 1.068 186 A CA 0.281 52.321 52.037 0.006 0.000 0.744 186 A CB 1.145 20.177 19.000 0.054 0.000 1.239 186 A HN 0.772 nan 8.150 nan 0.000 0.435 187 D N 3.168 123.562 120.400 -0.011 0.000 2.502 187 D HA 0.302 4.941 4.640 -0.001 0.000 0.301 187 D C -1.669 174.588 176.300 -0.072 0.000 1.202 187 D CA -1.713 52.273 54.000 -0.022 0.000 0.878 187 D CB 1.138 41.970 40.800 0.055 0.000 1.062 187 D HN 0.191 nan 8.370 nan 0.000 0.499 188 P HA -0.158 nan 4.420 nan 0.000 0.218 188 P C 1.817 178.958 177.300 -0.264 0.000 1.148 188 P CA 0.408 63.405 63.100 -0.172 0.000 0.822 188 P CB 0.665 32.216 31.700 -0.248 0.000 0.784 189 I N 0.714 121.128 120.570 -0.259 0.000 2.163 189 I HA -0.221 3.949 4.170 -0.001 0.000 0.243 189 I C 2.598 178.670 176.117 -0.075 0.000 1.085 189 I CA 1.647 62.849 61.300 -0.164 0.000 1.347 189 I CB -1.235 36.719 38.000 -0.077 0.000 1.044 189 I HN 0.097 nan 8.210 nan 0.000 0.408 190 K N 0.815 121.138 120.400 -0.129 0.000 2.007 190 K HA -0.152 4.167 4.320 -0.001 0.000 0.206 190 K C 1.916 178.338 176.600 -0.296 0.000 1.047 190 K CA 2.071 58.101 56.287 -0.428 0.000 0.937 190 K CB -0.051 32.293 32.500 -0.260 0.000 0.718 190 K HN 0.411 nan 8.250 nan 0.000 0.438 191 T N -1.854 112.621 114.554 -0.132 0.000 3.148 191 T HA 0.100 4.449 4.350 -0.001 0.000 0.253 191 T C 1.374 176.059 174.700 -0.026 0.000 1.134 191 T CA 0.494 62.557 62.100 -0.061 0.000 1.051 191 T CB 0.264 69.148 68.868 0.026 0.000 0.959 191 T HN -0.004 nan 8.240 nan 0.000 0.525 192 S N 1.403 117.091 115.700 -0.021 0.000 2.593 192 S HA 0.099 4.568 4.470 -0.001 0.000 0.217 192 S C 1.807 176.594 174.600 0.311 0.000 0.966 192 S CA -0.190 58.040 58.200 0.050 0.000 0.914 192 S CB -0.149 62.917 63.200 -0.224 0.000 0.776 192 S HN 0.598 nan 8.310 nan 0.000 0.523 193 Q N 0.594 120.537 119.800 0.238 0.000 2.291 193 Q HA -0.015 4.325 4.340 -0.001 0.000 0.205 193 Q C 0.525 176.733 176.000 0.346 0.000 0.970 193 Q CA 0.752 56.727 55.803 0.288 0.000 0.876 193 Q CB -0.261 28.551 28.738 0.123 0.000 0.935 193 Q HN 0.703 nan 8.270 nan 0.000 0.455 194 I N -4.396 116.248 120.570 0.124 0.000 3.067 194 I HA 0.773 4.942 4.170 -0.001 0.000 0.312 194 I C -0.058 176.077 176.117 0.030 0.000 1.073 194 I CA -1.067 60.231 61.300 -0.004 0.000 1.016 194 I CB 1.968 39.803 38.000 -0.276 0.000 1.227 194 I HN -0.178 nan 8.210 nan 0.000 0.456 195 G N 0.678 109.532 108.800 0.091 0.000 2.642 195 G HA2 0.258 4.217 3.960 -0.001 0.000 0.293 195 G HA3 0.258 4.217 3.960 -0.001 0.000 0.293 195 G C -0.684 174.459 174.900 0.405 0.000 1.341 195 G CA -0.651 44.526 45.100 0.128 0.000 0.916 195 G HN 0.977 nan 8.290 nan 0.000 0.474 196 W N 1.213 122.583 121.300 0.118 0.000 2.408 196 W HA 0.028 4.687 4.660 -0.001 0.000 0.311 196 W C 0.901 177.456 176.519 0.060 0.000 1.190 196 W CA 1.781 59.106 57.345 -0.033 0.000 1.321 196 W CB 0.010 29.333 29.460 -0.228 0.000 1.143 196 W HN 0.437 nan 8.180 nan 0.000 0.501 197 V N -0.082 119.844 119.914 0.020 0.000 3.561 197 V HA 0.297 4.416 4.120 -0.001 0.000 0.290 197 V C 0.566 176.641 176.094 -0.030 0.000 1.052 197 V CA -1.117 61.120 62.300 -0.105 0.000 0.973 197 V CB 0.331 32.120 31.823 -0.058 0.000 1.243 197 V HN 0.003 nan 8.190 nan 0.000 0.432 198 I N 3.092 123.633 120.570 -0.048 0.000 2.618 198 I HA 0.229 4.398 4.170 -0.001 0.000 0.284 198 I C -2.000 174.117 176.117 -0.000 0.000 1.146 198 I CA -1.160 60.130 61.300 -0.016 0.000 1.425 198 I CB 0.548 38.521 38.000 -0.046 0.000 1.383 198 I HN 0.585 nan 8.210 nan 0.000 0.562 199 P HA 0.075 nan 4.420 nan 0.000 0.277 199 P C -0.266 176.954 177.300 -0.134 0.000 1.240 199 P CA -0.227 62.820 63.100 -0.089 0.000 0.798 199 P CB 1.084 32.674 31.700 -0.183 0.000 0.979 200 E N 1.682 121.863 120.200 -0.033 0.000 2.498 200 E HA -0.066 4.283 4.350 -0.001 0.000 0.203 200 E C -0.153 176.516 176.600 0.115 0.000 1.013 200 E CA -0.014 56.439 56.400 0.087 0.000 0.927 200 E CB -0.982 28.829 29.700 0.185 0.000 1.012 200 E HN 0.616 nan 8.360 nan 0.000 0.482 201 H N -0.554 118.665 119.070 0.248 0.000 2.839 201 H HA -0.134 4.421 4.556 -0.001 0.000 0.298 201 H C 1.195 176.675 175.328 0.253 0.000 1.224 201 H CA -0.008 56.226 56.048 0.309 0.000 1.144 201 H CB -1.663 28.296 29.762 0.329 0.000 1.372 201 H HN 0.432 nan 8.280 nan 0.000 0.408 202 G N 0.142 109.091 108.800 0.249 0.000 2.470 202 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.220 202 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.220 202 G C 1.754 176.640 174.900 -0.023 0.000 1.121 202 G CA 0.684 45.882 45.100 0.164 0.000 0.766 202 G HN 0.624 nan 8.290 nan 0.000 0.553 203 A N 0.216 122.998 122.820 -0.064 0.000 1.972 203 A HA 0.020 4.340 4.320 -0.001 0.000 0.219 203 A C 2.095 179.221 177.584 -0.764 0.000 1.169 203 A CA 1.354 53.115 52.037 -0.461 0.000 0.635 203 A CB -0.515 18.270 19.000 -0.358 0.000 0.810 203 A HN 0.444 nan 8.150 nan 0.000 0.446 204 Y N 0.279 120.361 120.300 -0.365 0.000 2.133 204 Y HA -0.093 4.457 4.550 -0.001 0.000 0.287 204 Y C -0.018 175.675 175.900 -0.345 0.000 1.134 204 Y CA 1.797 59.625 58.100 -0.453 0.000 1.133 204 Y CB -1.617 36.514 38.460 -0.547 0.000 0.987 204 Y HN 0.297 nan 8.280 nan 0.000 0.502 205 P HA -0.111 nan 4.420 nan 0.000 0.218 205 P C 1.750 178.924 177.300 -0.209 0.000 1.149 205 P CA 2.036 65.084 63.100 -0.087 0.000 0.817 205 P CB -0.310 31.379 31.700 -0.018 0.000 0.785 206 G N 0.166 108.644 108.800 -0.536 0.000 2.421 206 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.216 206 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.216 206 G C 1.561 176.049 174.900 -0.687 0.000 1.171 206 G CA 0.495 45.066 45.100 -0.882 0.000 0.775 206 G HN 0.233 nan 8.290 nan 0.000 0.543 207 L N -0.032 120.773 121.223 -0.698 0.000 2.093 207 L HA 0.008 4.347 4.340 -0.001 0.000 0.208 207 L C 2.754 179.776 176.870 0.253 0.000 1.085 207 L CA 1.285 56.056 54.840 -0.114 0.000 0.755 207 L CB -0.238 41.611 42.059 -0.351 0.000 0.904 207 L HN 0.243 nan 8.230 nan 0.000 0.435 208 E N 0.605 120.881 120.200 0.126 0.000 2.072 208 E HA -0.194 4.155 4.350 -0.001 0.000 0.191 208 E C 2.136 178.840 176.600 0.173 0.000 0.985 208 E CA 1.464 58.017 56.400 0.255 0.000 0.801 208 E CB -0.074 29.730 29.700 0.172 0.000 0.750 208 E HN 0.355 nan 8.360 nan 0.000 0.452 209 A N 0.611 123.499 122.820 0.113 0.000 1.902 209 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 209 A C 2.281 179.965 177.584 0.167 0.000 1.181 209 A CA 1.503 53.612 52.037 0.119 0.000 0.623 209 A CB -0.767 18.294 19.000 0.102 0.000 0.818 209 A HN 0.344 nan 8.150 nan 0.000 0.443 210 L N -0.617 120.748 121.223 0.237 0.000 2.046 210 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 210 L C 2.637 179.671 176.870 0.273 0.000 1.077 210 L CA 2.000 56.995 54.840 0.257 0.000 0.747 210 L CB -0.589 41.656 42.059 0.310 0.000 0.896 210 L HN 0.472 nan 8.230 nan 0.000 0.432 211 K N 0.728 121.364 120.400 0.392 0.000 2.026 211 K HA -0.185 4.134 4.320 -0.001 0.000 0.208 211 K C 2.186 178.859 176.600 0.121 0.000 1.048 211 K CA 1.412 57.864 56.287 0.275 0.000 0.929 211 K CB -0.098 32.443 32.500 0.068 0.000 0.713 211 K HN 0.255 nan 8.250 nan 0.000 0.439 212 A N 1.502 124.381 122.820 0.099 0.000 1.933 212 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 212 A C 1.806 179.429 177.584 0.064 0.000 1.175 212 A CA 1.376 53.452 52.037 0.064 0.000 0.628 212 A CB -0.274 18.764 19.000 0.064 0.000 0.814 212 A HN 0.190 nan 8.150 nan 0.000 0.444 213 K N -1.124 119.325 120.400 0.080 0.000 2.504 213 K HA 0.036 4.355 4.320 -0.001 0.000 0.195 213 K C 1.170 177.804 176.600 0.056 0.000 1.036 213 K CA 0.752 57.078 56.287 0.066 0.000 0.984 213 K CB -0.532 32.012 32.500 0.073 0.000 0.788 213 K HN 0.818 nan 8.250 nan 0.000 0.488 214 G N 2.024 110.862 108.800 0.064 0.000 2.176 214 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.252 214 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.252 214 G C 0.132 175.058 174.900 0.043 0.000 1.024 214 G CA 0.592 45.723 45.100 0.052 0.000 0.755 214 G HN 0.242 nan 8.290 nan 0.000 0.507 215 T N 0.268 114.849 114.554 0.046 0.000 2.901 215 T HA 0.383 4.732 4.350 -0.001 0.000 0.301 215 T C 0.769 175.457 174.700 -0.019 0.000 1.012 215 T CA 0.388 62.494 62.100 0.010 0.000 1.135 215 T CB 1.053 69.924 68.868 0.005 0.000 0.936 215 T HN 0.548 nan 8.240 nan 0.000 0.539 216 K N 3.181 123.565 120.400 -0.026 0.000 2.416 216 K HA 0.244 4.563 4.320 -0.001 0.000 0.283 216 K C -1.141 175.405 176.600 -0.090 0.000 1.037 216 K CA -0.007 56.262 56.287 -0.030 0.000 0.995 216 K CB 0.064 32.560 32.500 -0.005 0.000 0.938 216 K HN 0.285 nan 8.250 nan 0.000 0.475 217 V N 6.850 126.701 119.914 -0.105 0.000 2.540 217 V HA 0.486 4.605 4.120 -0.001 0.000 0.302 217 V C -0.311 175.751 176.094 -0.054 0.000 1.035 217 V CA -0.771 61.415 62.300 -0.190 0.000 0.873 217 V CB 1.426 32.972 31.823 -0.461 0.000 0.992 217 V HN 0.686 nan 8.190 nan 0.000 0.428 218 I N 4.721 125.267 120.570 -0.039 0.000 2.465 218 I HA 0.545 4.714 4.170 -0.001 0.000 0.291 218 I C -0.708 175.447 176.117 0.065 0.000 1.014 218 I CA -0.836 60.483 61.300 0.032 0.000 1.093 218 I CB 2.206 40.237 38.000 0.052 0.000 1.267 218 I HN 0.250 nan 8.210 nan 0.000 0.431 219 V N 7.153 127.141 119.914 0.123 0.000 2.459 219 V HA 0.464 4.583 4.120 -0.001 0.000 0.295 219 V C -0.069 176.096 176.094 0.118 0.000 1.029 219 V CA -0.462 61.936 62.300 0.163 0.000 0.874 219 V CB 2.006 33.924 31.823 0.158 0.000 0.985 219 V HN 0.474 nan 8.190 nan 0.000 0.438 220 I N 4.720 125.295 120.570 0.008 0.000 2.405 220 I HA 0.544 4.713 4.170 -0.001 0.000 0.280 220 I C -0.871 175.269 176.117 0.039 0.000 1.027 220 I CA 0.071 61.296 61.300 -0.126 0.000 1.161 220 I CB 1.116 38.708 38.000 -0.679 0.000 1.300 220 I HN 0.582 nan 8.210 nan 0.000 0.463 221 D N 8.222 128.719 120.400 0.162 0.000 2.769 221 D HA 0.198 4.838 4.640 -0.001 0.000 0.219 221 D C -2.393 174.059 176.300 0.254 0.000 1.245 221 D CA -1.278 52.848 54.000 0.209 0.000 0.801 221 D CB 3.259 44.186 40.800 0.213 0.000 1.598 221 D HN 0.055 nan 8.370 nan 0.000 0.485 222 P HA -0.017 nan 4.420 nan 0.000 0.223 222 P C 0.475 177.886 177.300 0.185 0.000 1.151 222 P CA 0.397 63.570 63.100 0.123 0.000 0.787 222 P CB 0.586 32.335 31.700 0.081 0.000 0.788 223 V N 0.972 121.029 119.914 0.238 0.000 2.581 223 V HA 0.309 4.428 4.120 -0.001 0.000 0.303 223 V C 0.804 177.031 176.094 0.223 0.000 1.041 223 V CA -1.036 61.397 62.300 0.222 0.000 0.907 223 V CB 2.188 34.111 31.823 0.166 0.000 0.994 223 V HN -0.106 nan 8.190 nan 0.000 0.442 224 R N 3.020 123.645 120.500 0.209 0.000 2.612 224 R HA 0.237 4.576 4.340 -0.001 0.000 0.273 224 R C 0.418 176.723 176.300 0.008 0.000 1.376 224 R CA -0.142 55.968 56.100 0.016 0.000 1.171 224 R CB 0.010 30.390 30.300 0.134 0.000 1.151 224 R HN 0.983 nan 8.270 nan 0.000 0.560 225 T N -0.364 114.182 114.554 -0.014 0.000 2.770 225 T HA 0.148 4.497 4.350 -0.001 0.000 0.281 225 T C 1.136 175.885 174.700 0.081 0.000 0.981 225 T CA -0.643 61.503 62.100 0.077 0.000 0.955 225 T CB 1.087 70.017 68.868 0.102 0.000 1.060 225 T HN 0.418 nan 8.240 nan 0.000 0.531 226 K N -0.089 120.400 120.400 0.148 0.000 2.280 226 K HA -0.084 4.236 4.320 -0.001 0.000 0.202 226 K C 2.326 179.002 176.600 0.127 0.000 1.047 226 K CA 1.289 57.666 56.287 0.149 0.000 0.942 226 K CB -0.545 32.102 32.500 0.245 0.000 0.739 226 K HN 0.629 nan 8.250 nan 0.000 0.457 227 T N 0.866 115.475 114.554 0.092 0.000 2.821 227 T HA -0.087 4.262 4.350 -0.001 0.000 0.267 227 T C 1.997 176.836 174.700 0.232 0.000 1.046 227 T CA 0.928 63.083 62.100 0.091 0.000 1.139 227 T CB -0.077 68.775 68.868 -0.026 0.000 0.871 227 T HN -0.055 nan 8.240 nan 0.000 0.454 228 V N 1.771 121.760 119.914 0.124 0.000 2.261 228 V HA -0.145 3.974 4.120 -0.001 0.000 0.246 228 V C 2.708 178.884 176.094 0.136 0.000 1.047 228 V CA 1.578 63.934 62.300 0.094 0.000 1.015 228 V CB -0.479 31.263 31.823 -0.134 0.000 0.642 228 V HN 0.415 nan 8.190 nan 0.000 0.446 229 E N -0.431 119.827 120.200 0.098 0.000 2.077 229 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 229 E C 2.029 178.677 176.600 0.080 0.000 0.989 229 E CA 1.425 57.875 56.400 0.083 0.000 0.800 229 E CB -0.513 29.230 29.700 0.072 0.000 0.746 229 E HN 0.605 nan 8.360 nan 0.000 0.452 230 F N 0.730 120.634 119.950 -0.076 0.000 2.087 230 F HA -0.243 4.284 4.527 -0.001 0.000 0.299 230 F C 1.959 177.594 175.800 -0.276 0.000 1.100 230 F CA 1.617 59.475 58.000 -0.236 0.000 1.226 230 F CB -0.392 38.356 39.000 -0.420 0.000 0.983 230 F HN -0.073 nan 8.300 nan 0.000 0.479 231 F N -0.015 119.956 119.950 0.035 0.000 2.754 231 F HA 0.271 4.797 4.527 -0.001 0.000 0.297 231 F C 1.818 177.604 175.800 -0.025 0.000 1.122 231 F CA 0.456 58.431 58.000 -0.040 0.000 1.400 231 F CB -0.425 38.650 39.000 0.125 0.000 1.117 231 F HN 0.091 nan 8.300 nan 0.000 0.587 232 G N 1.543 110.433 108.800 0.150 0.000 2.323 232 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.292 232 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.292 232 G C 0.313 175.302 174.900 0.149 0.000 1.040 232 G CA -0.051 45.116 45.100 0.111 0.000 0.942 232 G HN 0.624 nan 8.290 nan 0.000 0.506 233 A N -0.522 122.421 122.820 0.206 0.000 2.425 233 A HA 0.561 4.881 4.320 -0.001 0.000 0.242 233 A C 0.738 178.404 177.584 0.137 0.000 1.077 233 A CA 0.536 52.678 52.037 0.174 0.000 0.781 233 A CB 0.330 19.454 19.000 0.206 0.000 1.020 233 A HN 0.940 nan 8.150 nan 0.000 0.494 234 E N 0.731 120.996 120.200 0.109 0.000 2.366 234 E HA 0.055 4.404 4.350 -0.001 0.000 0.266 234 E C -0.327 176.370 176.600 0.162 0.000 1.015 234 E CA 0.177 56.640 56.400 0.104 0.000 0.906 234 E CB 0.140 29.877 29.700 0.063 0.000 0.979 234 E HN 0.720 nan 8.360 nan 0.000 0.443 235 H N 6.075 125.165 119.070 0.033 0.000 2.539 235 H HA 0.266 4.821 4.556 -0.001 0.000 0.332 235 H C -0.712 174.615 175.328 -0.003 0.000 1.031 235 H CA -1.220 54.845 56.048 0.029 0.000 1.206 235 H CB 0.663 30.455 29.762 0.051 0.000 1.446 235 H HN 0.408 nan 8.280 nan 0.000 0.496 236 I N 4.980 125.562 120.570 0.020 0.000 2.359 236 I HA 0.080 4.250 4.170 -0.001 0.000 0.294 236 I C 0.574 176.559 176.117 -0.220 0.000 0.987 236 I CA -0.505 60.713 61.300 -0.136 0.000 1.225 236 I CB 1.293 39.215 38.000 -0.130 0.000 1.366 236 I HN 0.631 nan 8.210 nan 0.000 0.466 237 T N 4.172 118.573 114.554 -0.255 0.000 3.155 237 T HA 0.474 4.823 4.350 -0.001 0.000 0.384 237 T C -2.434 172.203 174.700 -0.105 0.000 1.351 237 T CA -1.736 60.246 62.100 -0.198 0.000 1.198 237 T CB 0.913 69.626 68.868 -0.257 0.000 1.106 237 T HN 0.331 nan 8.240 nan 0.000 0.564 238 P HA 0.303 nan 4.420 nan 0.000 0.278 238 P C -0.353 176.925 177.300 -0.037 0.000 1.238 238 P CA -0.630 62.447 63.100 -0.039 0.000 0.794 238 P CB 1.039 32.749 31.700 0.016 0.000 0.955 239 K N 3.361 123.731 120.400 -0.050 0.000 2.451 239 K HA 0.140 4.459 4.320 -0.001 0.000 0.280 239 K C -2.079 174.481 176.600 -0.067 0.000 1.020 239 K CA -1.175 55.079 56.287 -0.056 0.000 1.008 239 K CB -0.651 31.822 32.500 -0.045 0.000 0.917 239 K HN 0.372 nan 8.250 nan 0.000 0.478 240 P HA -0.101 nan 4.420 nan 0.000 0.266 240 P C -0.788 176.449 177.300 -0.105 0.000 1.193 240 P CA 0.459 63.398 63.100 -0.269 0.000 0.770 240 P CB 0.467 31.639 31.700 -0.879 0.000 0.836 241 Q N -0.901 118.926 119.800 0.045 0.000 2.493 241 Q HA -0.166 4.173 4.340 -0.001 0.000 0.260 241 Q C 0.288 176.470 176.000 0.302 0.000 0.873 241 Q CA 1.301 57.213 55.803 0.181 0.000 1.150 241 Q CB -2.908 25.954 28.738 0.206 0.000 1.393 241 Q HN 0.717 nan 8.270 nan 0.000 0.607 242 T N -5.004 109.679 114.554 0.214 0.000 3.091 242 T HA 0.098 4.447 4.350 -0.001 0.000 0.277 242 T C 0.820 175.602 174.700 0.136 0.000 0.996 242 T CA 0.140 62.336 62.100 0.160 0.000 0.897 242 T CB 0.333 69.173 68.868 -0.047 0.000 1.109 242 T HN 0.120 nan 8.240 nan 0.000 0.534 243 D N 1.807 122.346 120.400 0.233 0.000 2.158 243 D HA -0.106 4.533 4.640 -0.001 0.000 0.197 243 D C 1.971 178.403 176.300 0.220 0.000 0.995 243 D CA 1.082 55.267 54.000 0.308 0.000 0.846 243 D CB 0.087 41.081 40.800 0.323 0.000 0.941 243 D HN 0.298 nan 8.370 nan 0.000 0.456 244 V N 1.597 121.649 119.914 0.230 0.000 2.407 244 V HA -0.220 3.899 4.120 -0.001 0.000 0.248 244 V C 2.579 178.827 176.094 0.256 0.000 1.055 244 V CA 1.662 64.114 62.300 0.252 0.000 1.049 244 V CB -0.570 31.482 31.823 0.380 0.000 0.662 244 V HN 0.180 nan 8.190 nan 0.000 0.455 245 A N -0.169 122.694 122.820 0.071 0.000 1.930 245 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 245 A C 2.169 179.776 177.584 0.038 0.000 1.175 245 A CA 1.684 53.641 52.037 -0.134 0.000 0.627 245 A CB -0.463 17.966 19.000 -0.951 0.000 0.815 245 A HN 0.494 nan 8.150 nan 0.000 0.443 246 I N -0.726 119.880 120.570 0.059 0.000 2.179 246 I HA -0.319 3.850 4.170 -0.001 0.000 0.242 246 I C 2.730 179.002 176.117 0.259 0.000 1.088 246 I CA 1.668 63.060 61.300 0.153 0.000 1.357 246 I CB -0.322 37.822 38.000 0.241 0.000 1.051 246 I HN 0.339 nan 8.210 nan 0.000 0.409 247 M N 0.008 119.782 119.600 0.290 0.000 2.108 247 M HA -0.248 4.231 4.480 -0.001 0.000 0.261 247 M C 2.338 178.774 176.300 0.226 0.000 1.066 247 M CA 1.906 57.350 55.300 0.239 0.000 1.107 247 M CB -0.450 32.181 32.600 0.052 0.000 1.356 247 M HN 0.236 nan 8.290 nan 0.000 0.406 248 L N -0.558 120.813 121.223 0.246 0.000 2.046 248 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 248 L C 2.704 179.702 176.870 0.212 0.000 1.077 248 L CA 1.377 56.366 54.840 0.249 0.000 0.747 248 L CB -1.209 41.015 42.059 0.275 0.000 0.896 248 L HN 0.423 nan 8.230 nan 0.000 0.432 249 G N -0.556 108.383 108.800 0.232 0.000 2.422 249 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.218 249 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.218 249 G C 1.628 176.631 174.900 0.172 0.000 1.146 249 G CA 0.596 45.808 45.100 0.186 0.000 0.769 249 G HN 0.198 nan 8.290 nan 0.000 0.547 250 M N 0.772 120.477 119.600 0.174 0.000 2.086 250 M HA 0.019 4.499 4.480 -0.001 0.000 0.261 250 M C 3.081 179.474 176.300 0.155 0.000 1.067 250 M CA 1.433 56.826 55.300 0.155 0.000 1.116 250 M CB -0.263 32.463 32.600 0.209 0.000 1.348 250 M HN 0.293 nan 8.290 nan 0.000 0.407 251 A N -0.512 122.414 122.820 0.178 0.000 1.902 251 A HA -0.236 4.084 4.320 -0.001 0.000 0.217 251 A C 2.067 179.710 177.584 0.098 0.000 1.181 251 A CA 1.826 53.957 52.037 0.157 0.000 0.623 251 A CB -1.270 17.870 19.000 0.234 0.000 0.818 251 A HN 0.584 nan 8.150 nan 0.000 0.443 252 H N 0.019 119.103 119.070 0.023 0.000 2.353 252 H HA -0.113 4.442 4.556 -0.001 0.000 0.300 252 H C 1.990 177.318 175.328 0.001 0.000 1.090 252 H CA 2.105 58.133 56.048 -0.032 0.000 1.327 252 H CB -0.247 29.474 29.762 -0.070 0.000 1.383 252 H HN 0.430 nan 8.280 nan 0.000 0.508 253 T N 1.804 116.424 114.554 0.111 0.000 2.720 253 T HA -0.111 4.238 4.350 -0.001 0.000 0.268 253 T C 2.440 177.148 174.700 0.014 0.000 1.037 253 T CA 1.266 63.403 62.100 0.061 0.000 1.144 253 T CB -0.290 68.626 68.868 0.080 0.000 0.864 253 T HN 0.251 nan 8.240 nan 0.000 0.444 254 L N 0.585 121.835 121.223 0.046 0.000 2.131 254 L HA -0.074 4.265 4.340 -0.001 0.000 0.210 254 L C 2.590 179.555 176.870 0.159 0.000 1.092 254 L CA 0.792 55.696 54.840 0.106 0.000 0.759 254 L CB -0.639 41.507 42.059 0.144 0.000 0.903 254 L HN 0.166 nan 8.230 nan 0.000 0.435 255 V N -0.175 119.749 119.914 0.017 0.000 2.302 255 V HA -0.149 3.970 4.120 -0.001 0.000 0.243 255 V C 2.696 178.784 176.094 -0.010 0.000 1.036 255 V CA 1.624 63.953 62.300 0.048 0.000 1.020 255 V CB -0.686 31.058 31.823 -0.131 0.000 0.657 255 V HN 0.428 nan 8.190 nan 0.000 0.453 256 A N -0.385 122.324 122.820 -0.185 0.000 2.019 256 A HA -0.197 4.122 4.320 -0.001 0.000 0.219 256 A C 1.979 179.541 177.584 -0.036 0.000 1.164 256 A CA 1.649 53.595 52.037 -0.151 0.000 0.644 256 A CB -0.371 18.502 19.000 -0.212 0.000 0.805 256 A HN 0.654 nan 8.150 nan 0.000 0.449 257 E N -1.159 119.039 120.200 -0.004 0.000 2.474 257 E HA 0.069 4.418 4.350 -0.001 0.000 0.195 257 E C -0.400 176.220 176.600 0.033 0.000 1.039 257 E CA 0.164 56.574 56.400 0.017 0.000 0.881 257 E CB 0.132 29.844 29.700 0.020 0.000 0.970 257 E HN 0.464 nan 8.360 nan 0.000 0.486 258 D N 0.089 120.526 120.400 0.062 0.000 2.723 258 D HA -0.190 4.449 4.640 -0.001 0.000 0.236 258 D C 0.215 176.532 176.300 0.029 0.000 1.138 258 D CA 0.467 54.502 54.000 0.058 0.000 0.676 258 D CB -1.097 39.713 40.800 0.016 0.000 1.069 258 D HN 0.262 nan 8.370 nan 0.000 0.430 259 L N -0.715 120.559 121.223 0.084 0.000 2.470 259 L HA 0.143 4.482 4.340 -0.001 0.000 0.219 259 L C 1.432 178.337 176.870 0.058 0.000 1.071 259 L CA -0.363 54.509 54.840 0.055 0.000 0.850 259 L CB -0.278 41.824 42.059 0.072 0.000 1.040 259 L HN 0.291 nan 8.230 nan 0.000 0.475 260 Y N -0.548 119.758 120.300 0.010 0.000 2.511 260 Y HA 0.070 4.619 4.550 -0.001 0.000 0.347 260 Y C 0.407 176.303 175.900 -0.006 0.000 1.257 260 Y CA -0.868 57.232 58.100 0.001 0.000 1.469 260 Y CB 0.002 38.460 38.460 -0.003 0.000 1.353 260 Y HN -0.111 nan 8.280 nan 0.000 0.617 261 D N 2.788 123.198 120.400 0.018 0.000 2.455 261 D HA 0.036 4.675 4.640 -0.001 0.000 0.234 261 D C 0.420 176.680 176.300 -0.067 0.000 1.224 261 D CA 0.140 54.120 54.000 -0.034 0.000 0.999 261 D CB 0.299 41.133 40.800 0.056 0.000 1.072 261 D HN 0.709 nan 8.370 nan 0.000 0.514 262 K N 1.456 121.661 120.400 -0.325 0.000 2.103 262 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 262 K C 1.063 177.641 176.600 -0.038 0.000 1.048 262 K CA 1.021 57.158 56.287 -0.250 0.000 0.930 262 K CB 0.286 32.599 32.500 -0.312 0.000 0.716 262 K HN 0.342 nan 8.250 nan 0.000 0.444 263 D N 0.460 120.857 120.400 -0.004 0.000 2.097 263 D HA -0.162 4.478 4.640 -0.001 0.000 0.195 263 D C 1.671 178.042 176.300 0.119 0.000 0.989 263 D CA 0.919 54.944 54.000 0.041 0.000 0.827 263 D CB -0.334 40.493 40.800 0.046 0.000 0.966 263 D HN 0.093 nan 8.370 nan 0.000 0.456 264 F N 1.382 121.376 119.950 0.073 0.000 2.134 264 F HA -0.193 4.333 4.527 -0.001 0.000 0.299 264 F C 2.134 178.039 175.800 0.174 0.000 1.097 264 F CA 1.039 59.144 58.000 0.175 0.000 1.264 264 F CB 0.008 39.035 39.000 0.045 0.000 1.001 264 F HN -0.154 nan 8.300 nan 0.000 0.479 265 I N 0.688 121.393 120.570 0.225 0.000 2.179 265 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 265 I C 2.730 178.863 176.117 0.026 0.000 1.088 265 I CA 1.591 62.947 61.300 0.093 0.000 1.357 265 I CB -2.038 35.923 38.000 -0.065 0.000 1.051 265 I HN 0.252 nan 8.210 nan 0.000 0.409 266 A N 0.741 123.570 122.820 0.015 0.000 1.969 266 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 266 A C 2.013 179.539 177.584 -0.095 0.000 1.169 266 A CA 1.549 53.579 52.037 -0.011 0.000 0.635 266 A CB -0.449 18.545 19.000 -0.009 0.000 0.810 266 A HN 0.447 nan 8.150 nan 0.000 0.445 267 N N -2.101 116.486 118.700 -0.189 0.000 2.409 267 N HA 0.052 4.791 4.740 -0.001 0.000 0.174 267 N C 0.463 175.553 175.510 -0.700 0.000 1.037 267 N CA 0.966 53.752 53.050 -0.441 0.000 0.898 267 N CB -0.062 38.093 38.487 -0.554 0.000 1.010 267 N HN 0.639 nan 8.380 nan 0.000 0.445 268 Y N -0.183 119.852 120.300 -0.442 0.000 2.500 268 Y HA 0.210 4.759 4.550 -0.001 0.000 0.246 268 Y C 0.785 176.635 175.900 -0.083 0.000 1.146 268 Y CA -0.355 57.492 58.100 -0.421 0.000 1.230 268 Y CB 0.668 38.439 38.460 -1.147 0.000 1.214 268 Y HN -0.116 nan 8.280 nan 0.000 0.526 269 T N -2.938 111.649 114.554 0.054 0.000 2.916 269 T HA 0.667 5.016 4.350 -0.001 0.000 0.292 269 T C -0.587 174.194 174.700 0.135 0.000 1.064 269 T CA -0.898 61.291 62.100 0.147 0.000 1.011 269 T CB 2.190 71.170 68.868 0.187 0.000 1.152 269 T HN -0.105 nan 8.240 nan 0.000 0.510 270 S N -0.414 115.388 115.700 0.170 0.000 2.521 270 S HA 0.632 5.101 4.470 -0.001 0.000 0.295 270 S C 1.005 175.737 174.600 0.221 0.000 1.098 270 S CA 0.500 58.799 58.200 0.165 0.000 0.999 270 S CB 0.548 63.833 63.200 0.142 0.000 1.034 270 S HN 2.350 nan 8.310 nan 0.000 0.483 271 G N 3.472 112.395 108.800 0.205 0.000 2.157 271 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.248 271 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.248 271 G C 0.524 175.577 174.900 0.254 0.000 0.979 271 G CA 0.412 45.644 45.100 0.220 0.000 0.650 271 G HN 0.895 nan 8.290 nan 0.000 0.529 272 F N 2.623 122.654 119.950 0.136 0.000 2.216 272 F HA -0.058 4.468 4.527 -0.001 0.000 0.300 272 F C 2.368 178.251 175.800 0.139 0.000 1.085 272 F CA 2.289 60.384 58.000 0.157 0.000 1.326 272 F CB 0.037 39.130 39.000 0.154 0.000 1.027 272 F HN 0.315 nan 8.300 nan 0.000 0.497 273 D N -0.080 120.411 120.400 0.152 0.000 2.263 273 D HA -0.207 4.432 4.640 -0.001 0.000 0.208 273 D C 1.539 177.780 176.300 -0.098 0.000 0.971 273 D CA 1.290 55.294 54.000 0.007 0.000 0.867 273 D CB -0.749 40.080 40.800 0.047 0.000 0.929 273 D HN 0.353 nan 8.370 nan 0.000 0.492 274 K N -1.286 119.059 120.400 -0.091 0.000 2.379 274 K HA 0.098 4.418 4.320 -0.001 0.000 0.194 274 K C 1.314 177.848 176.600 -0.109 0.000 1.031 274 K CA -0.007 56.196 56.287 -0.141 0.000 1.037 274 K CB 0.013 32.297 32.500 -0.359 0.000 0.824 274 K HN 0.113 nan 8.250 nan 0.000 0.516 275 F N 0.825 120.560 119.950 -0.359 0.000 2.446 275 F HA 0.051 4.577 4.527 -0.002 0.000 0.292 275 F C 1.623 177.097 175.800 -0.542 0.000 1.096 275 F CA 0.178 57.819 58.000 -0.598 0.000 1.438 275 F CB 0.037 38.725 39.000 -0.519 0.000 1.107 275 F HN -0.152 nan 8.300 nan 0.000 0.546 276 L N 1.896 122.690 121.223 -0.716 0.000 2.042 276 L HA -0.067 4.272 4.340 -0.001 0.000 0.210 276 L C -0.912 175.668 176.870 -0.482 0.000 1.076 276 L CA 2.198 56.609 54.840 -0.715 0.000 0.749 276 L CB -1.817 39.878 42.059 -0.607 0.000 0.893 276 L HN -0.007 nan 8.230 nan 0.000 0.432 277 P HA -0.223 nan 4.420 nan 0.000 0.216 277 P C 1.352 178.507 177.300 -0.241 0.000 1.153 277 P CA 1.457 64.423 63.100 -0.224 0.000 0.848 277 P CB -0.287 31.330 31.700 -0.139 0.000 0.787 278 Y N 0.667 120.721 120.300 -0.410 0.000 2.145 278 Y HA -0.175 4.374 4.550 -0.001 0.000 0.286 278 Y C 2.138 177.746 175.900 -0.486 0.000 1.145 278 Y CA 1.215 59.082 58.100 -0.389 0.000 1.148 278 Y CB -1.196 37.022 38.460 -0.404 0.000 0.981 278 Y HN -0.228 nan 8.280 nan 0.000 0.507 279 L N 0.630 121.356 121.223 -0.829 0.000 2.079 279 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 279 L C 1.521 178.101 176.870 -0.482 0.000 1.081 279 L CA 2.276 56.637 54.840 -0.798 0.000 0.752 279 L CB -0.771 40.813 42.059 -0.791 0.000 0.896 279 L HN 0.193 nan 8.230 nan 0.000 0.433 280 D N -0.376 119.800 120.400 -0.374 0.000 2.349 280 D HA 0.146 4.785 4.640 -0.001 0.000 0.224 280 D C 1.609 177.763 176.300 -0.243 0.000 1.029 280 D CA 0.948 54.825 54.000 -0.206 0.000 0.879 280 D CB 0.107 40.803 40.800 -0.173 0.000 0.906 280 D HN 0.497 nan 8.370 nan 0.000 0.528 281 G N 1.390 109.975 108.800 -0.357 0.000 2.143 281 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.248 281 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.248 281 G C 0.901 175.686 174.900 -0.192 0.000 0.991 281 G CA 0.417 45.328 45.100 -0.316 0.000 0.689 281 G HN 0.379 nan 8.290 nan 0.000 0.522 282 E N -0.371 119.733 120.200 -0.161 0.000 2.208 282 E HA -0.042 4.308 4.350 -0.001 0.000 0.193 282 E C 2.589 179.146 176.600 -0.072 0.000 0.988 282 E CA 1.485 57.822 56.400 -0.104 0.000 0.828 282 E CB -0.083 29.559 29.700 -0.097 0.000 0.763 282 E HN 0.712 nan 8.360 nan 0.000 0.478 283 T N -0.939 113.580 114.554 -0.059 0.000 3.057 283 T HA -0.037 4.312 4.350 -0.001 0.000 0.254 283 T C 0.938 175.634 174.700 -0.007 0.000 1.094 283 T CA 0.862 62.956 62.100 -0.010 0.000 1.088 283 T CB 0.124 69.021 68.868 0.048 0.000 0.934 283 T HN 0.105 nan 8.240 nan 0.000 0.497 284 D N -0.537 119.839 120.400 -0.041 0.000 2.562 284 D HA 0.200 4.840 4.640 -0.001 0.000 0.246 284 D C 0.453 176.713 176.300 -0.067 0.000 1.347 284 D CA -0.049 53.931 54.000 -0.033 0.000 0.800 284 D CB -0.370 40.429 40.800 -0.002 0.000 1.111 284 D HN 0.190 nan 8.370 nan 0.000 0.508 285 S N -0.981 114.666 115.700 -0.088 0.000 3.380 285 S HA -0.156 4.313 4.470 -0.001 0.000 0.300 285 S C 0.097 174.616 174.600 -0.134 0.000 1.255 285 S CA 1.315 59.459 58.200 -0.092 0.000 0.963 285 S CB -2.171 60.997 63.200 -0.054 0.000 1.106 285 S HN 0.552 nan 8.310 nan 0.000 0.629 286 T N 2.128 116.553 114.554 -0.216 0.000 3.150 286 T HA 0.422 4.771 4.350 -0.001 0.000 0.383 286 T C -2.848 171.539 174.700 -0.522 0.000 1.313 286 T CA -1.245 60.660 62.100 -0.326 0.000 1.235 286 T CB 1.389 70.059 68.868 -0.329 0.000 1.088 286 T HN -0.089 nan 8.240 nan 0.000 0.556 287 P HA 0.073 nan 4.420 nan 0.000 0.264 287 P C 0.033 176.887 177.300 -0.744 0.000 1.193 287 P CA -0.371 62.440 63.100 -0.482 0.000 0.763 287 P CB 0.484 31.989 31.700 -0.324 0.000 0.810 288 K N 2.451 122.354 120.400 -0.829 0.000 2.751 288 K HA 0.121 4.440 4.320 -0.001 0.000 0.252 288 K C 0.604 176.883 176.600 -0.535 0.000 1.277 288 K CA 0.109 55.831 56.287 -0.941 0.000 1.226 288 K CB -1.173 30.793 32.500 -0.890 0.000 1.658 288 K HN 0.480 nan 8.250 nan 0.000 0.303 289 T N -2.997 111.223 114.554 -0.556 0.000 2.788 289 T HA 0.297 4.646 4.350 -0.001 0.000 0.287 289 T C 1.641 176.322 174.700 -0.031 0.000 1.007 289 T CA -0.159 61.639 62.100 -0.504 0.000 1.005 289 T CB 1.294 69.947 68.868 -0.359 0.000 1.012 289 T HN 0.236 nan 8.240 nan 0.000 0.530 290 A N 0.646 123.473 122.820 0.011 0.000 1.940 290 A HA -0.095 4.224 4.320 -0.001 0.000 0.219 290 A C 2.212 179.802 177.584 0.009 0.000 1.176 290 A CA 1.869 53.929 52.037 0.038 0.000 0.631 290 A CB -1.088 17.932 19.000 0.034 0.000 0.814 290 A HN 0.925 nan 8.150 nan 0.000 0.446 291 E N -1.361 118.841 120.200 0.002 0.000 2.072 291 E HA -0.192 4.157 4.350 -0.001 0.000 0.191 291 E C 1.581 178.179 176.600 -0.003 0.000 0.985 291 E CA 1.376 57.769 56.400 -0.011 0.000 0.801 291 E CB -0.399 29.296 29.700 -0.008 0.000 0.750 291 E HN 0.866 nan 8.360 nan 0.000 0.452 292 W N 1.257 122.459 121.300 -0.164 0.000 2.363 292 W HA -0.167 4.492 4.660 -0.001 0.000 0.296 292 W C 2.160 178.558 176.519 -0.201 0.000 1.212 292 W CA 2.095 59.331 57.345 -0.182 0.000 1.260 292 W CB -0.294 29.034 29.460 -0.221 0.000 1.131 292 W HN 0.052 nan 8.180 nan 0.000 0.530 293 A N 0.133 122.855 122.820 -0.163 0.000 1.930 293 A HA -0.221 4.098 4.320 -0.001 0.000 0.217 293 A C 1.988 179.345 177.584 -0.380 0.000 1.175 293 A CA 1.809 53.588 52.037 -0.431 0.000 0.627 293 A CB -1.043 17.901 19.000 -0.092 0.000 0.815 293 A HN 0.562 nan 8.150 nan 0.000 0.443 294 E N -0.237 119.827 120.200 -0.227 0.000 2.077 294 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 294 E C 2.033 178.497 176.600 -0.226 0.000 0.989 294 E CA 1.110 57.399 56.400 -0.185 0.000 0.800 294 E CB -0.502 29.128 29.700 -0.116 0.000 0.746 294 E HN 0.471 nan 8.360 nan 0.000 0.452 295 G N 0.998 109.638 108.800 -0.266 0.000 2.442 295 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.219 295 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.219 295 G C 1.543 176.254 174.900 -0.316 0.000 1.141 295 G CA 1.073 46.018 45.100 -0.258 0.000 0.763 295 G HN 0.287 nan 8.290 nan 0.000 0.554 296 I N 0.857 121.128 120.570 -0.499 0.000 2.429 296 I HA -0.048 4.121 4.170 -0.001 0.000 0.247 296 I C 2.970 178.896 176.117 -0.319 0.000 1.099 296 I CA 1.307 62.321 61.300 -0.476 0.000 1.422 296 I CB 0.016 37.493 38.000 -0.872 0.000 1.112 296 I HN 0.307 nan 8.210 nan 0.000 0.430 297 S N 0.023 115.525 115.700 -0.329 0.000 2.478 297 S HA 0.160 4.629 4.470 -0.001 0.000 0.222 297 S C 1.787 176.303 174.600 -0.141 0.000 1.008 297 S CA 0.573 58.653 58.200 -0.200 0.000 0.928 297 S CB 0.454 63.545 63.200 -0.181 0.000 0.781 297 S HN 0.586 nan 8.310 nan 0.000 0.518 298 G N 0.453 109.164 108.800 -0.148 0.000 2.205 298 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.261 298 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.261 298 G C 0.087 174.926 174.900 -0.102 0.000 0.980 298 G CA 0.125 45.158 45.100 -0.112 0.000 0.632 298 G HN 0.737 nan 8.290 nan 0.000 0.533 299 V N 2.608 122.458 119.914 -0.106 0.000 2.488 299 V HA 0.384 4.503 4.120 -0.001 0.000 0.277 299 V C -1.412 174.631 176.094 -0.086 0.000 1.046 299 V CA -1.296 60.948 62.300 -0.093 0.000 0.986 299 V CB 1.277 33.047 31.823 -0.088 0.000 0.989 299 V HN 0.105 nan 8.190 nan 0.000 0.475 300 P HA 0.005 nan 4.420 nan 0.000 0.264 300 P C 0.624 177.889 177.300 -0.059 0.000 1.183 300 P CA 0.377 63.438 63.100 -0.064 0.000 0.763 300 P CB 0.664 32.330 31.700 -0.056 0.000 0.807 301 A N 4.481 127.270 122.820 -0.052 0.000 1.908 301 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 301 A C 1.901 179.466 177.584 -0.032 0.000 1.181 301 A CA 1.527 53.541 52.037 -0.038 0.000 0.627 301 A CB -0.844 18.138 19.000 -0.030 0.000 0.818 301 A HN 0.503 nan 8.150 nan 0.000 0.445 302 E N -0.433 119.747 120.200 -0.034 0.000 2.150 302 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 302 E C 2.105 178.677 176.600 -0.048 0.000 0.985 302 E CA 1.599 57.979 56.400 -0.033 0.000 0.814 302 E CB -0.821 28.861 29.700 -0.029 0.000 0.752 302 E HN 0.621 nan 8.360 nan 0.000 0.466 303 T N 1.724 116.245 114.554 -0.056 0.000 2.777 303 T HA -0.060 4.290 4.350 -0.001 0.000 0.266 303 T C 2.122 176.767 174.700 -0.092 0.000 1.040 303 T CA 0.774 62.830 62.100 -0.073 0.000 1.141 303 T CB -0.166 68.658 68.868 -0.073 0.000 0.868 303 T HN 0.115 nan 8.240 nan 0.000 0.444 304 I N 0.848 121.375 120.570 -0.072 0.000 2.226 304 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 304 I C 2.477 178.550 176.117 -0.072 0.000 1.100 304 I CA 1.434 62.697 61.300 -0.062 0.000 1.374 304 I CB -0.308 37.681 38.000 -0.019 0.000 1.057 304 I HN 0.238 nan 8.210 nan 0.000 0.413 305 K N 0.722 121.092 120.400 -0.049 0.000 2.057 305 K HA -0.160 4.159 4.320 -0.001 0.000 0.206 305 K C 1.967 178.516 176.600 -0.086 0.000 1.050 305 K CA 1.329 57.590 56.287 -0.042 0.000 0.935 305 K CB -0.173 32.320 32.500 -0.013 0.000 0.715 305 K HN 0.356 nan 8.250 nan 0.000 0.439 306 E N 0.675 120.816 120.200 -0.099 0.000 2.110 306 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 306 E C 1.880 178.354 176.600 -0.210 0.000 0.988 306 E CA 0.666 56.996 56.400 -0.117 0.000 0.804 306 E CB 0.057 29.703 29.700 -0.090 0.000 0.745 306 E HN 0.089 nan 8.360 nan 0.000 0.458 307 L N 0.475 121.511 121.223 -0.311 0.000 2.072 307 L HA -0.065 4.274 4.340 -0.001 0.000 0.205 307 L C 2.401 178.715 176.870 -0.927 0.000 1.079 307 L CA 1.581 56.021 54.840 -0.667 0.000 0.752 307 L CB -1.391 40.282 42.059 -0.642 0.000 0.906 307 L HN 0.090 nan 8.230 nan 0.000 0.436 308 A N -0.275 122.257 122.820 -0.480 0.000 1.902 308 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 308 A C 2.441 179.943 177.584 -0.138 0.000 1.181 308 A CA 1.436 53.323 52.037 -0.250 0.000 0.623 308 A CB -0.402 18.564 19.000 -0.056 0.000 0.818 308 A HN 0.340 nan 8.150 nan 0.000 0.443 309 R N -1.194 119.229 120.500 -0.128 0.000 2.073 309 R HA -0.091 4.248 4.340 -0.001 0.000 0.234 309 R C 2.174 178.450 176.300 -0.039 0.000 1.134 309 R CA 1.407 57.474 56.100 -0.055 0.000 0.952 309 R CB -0.628 29.643 30.300 -0.048 0.000 0.850 309 R HN 0.494 nan 8.270 nan 0.000 0.433 310 L N 0.464 121.629 121.223 -0.097 0.000 1.989 310 L HA -0.181 4.158 4.340 -0.001 0.000 0.211 310 L C 1.911 178.854 176.870 0.121 0.000 1.071 310 L CA 1.836 56.663 54.840 -0.021 0.000 0.749 310 L CB -0.498 41.525 42.059 -0.059 0.000 0.890 310 L HN 0.004 nan 8.230 nan 0.000 0.431 311 F N 0.166 120.124 119.950 0.014 0.000 2.171 311 F HA -0.149 4.377 4.527 -0.001 0.000 0.300 311 F C 2.634 178.442 175.800 0.012 0.000 1.090 311 F CA 1.373 59.384 58.000 0.018 0.000 1.293 311 F CB -1.319 37.709 39.000 0.046 0.000 1.013 311 F HN 0.295 nan 8.300 nan 0.000 0.486 312 E N 0.613 120.927 120.200 0.190 0.000 2.152 312 E HA -0.134 4.215 4.350 -0.001 0.000 0.192 312 E C 2.052 178.693 176.600 0.069 0.000 0.983 312 E CA 1.398 57.864 56.400 0.111 0.000 0.818 312 E CB -0.259 29.494 29.700 0.089 0.000 0.758 312 E HN 0.254 nan 8.360 nan 0.000 0.467 313 S N -1.109 114.629 115.700 0.063 0.000 2.524 313 S HA 0.153 4.623 4.470 -0.001 0.000 0.216 313 S C 0.550 175.172 174.600 0.037 0.000 0.987 313 S CA -0.315 57.908 58.200 0.039 0.000 0.909 313 S CB 0.172 63.389 63.200 0.027 0.000 0.781 313 S HN -0.089 nan 8.310 nan 0.000 0.521 314 K N 1.269 121.701 120.400 0.053 0.000 2.395 314 K HA 0.432 4.751 4.320 -0.001 0.000 0.247 314 K C -0.929 175.683 176.600 0.019 0.000 0.973 314 K CA -0.896 55.412 56.287 0.036 0.000 0.828 314 K CB 1.423 33.951 32.500 0.046 0.000 1.272 314 K HN 0.033 nan 8.250 nan 0.000 0.439 315 R N 1.029 121.526 120.500 -0.005 0.000 2.399 315 R HA 0.107 4.446 4.340 -0.001 0.000 0.324 315 R C -0.869 175.403 176.300 -0.047 0.000 1.030 315 R CA 0.704 56.787 56.100 -0.029 0.000 0.984 315 R CB -0.511 29.769 30.300 -0.033 0.000 0.961 315 R HN 0.456 nan 8.270 nan 0.000 0.433 316 T N 5.389 119.903 114.554 -0.066 0.000 2.841 316 T HA 0.433 4.782 4.350 -0.001 0.000 0.283 316 T C -0.866 173.741 174.700 -0.155 0.000 1.000 316 T CA -0.615 61.412 62.100 -0.122 0.000 0.977 316 T CB 1.225 70.018 68.868 -0.126 0.000 0.979 316 T HN 0.540 nan 8.240 nan 0.000 0.446 317 M N 4.191 123.671 119.600 -0.200 0.000 2.167 317 M HA 0.522 5.001 4.480 -0.001 0.000 0.333 317 M C -1.779 174.399 176.300 -0.203 0.000 1.030 317 M CA -0.818 54.376 55.300 -0.177 0.000 0.963 317 M CB 0.534 33.004 32.600 -0.216 0.000 1.589 317 M HN 0.470 nan 8.290 nan 0.000 0.431 318 L N 5.484 126.661 121.223 -0.078 0.000 2.288 318 L HA 0.631 4.970 4.340 -0.001 0.000 0.283 318 L C -0.161 176.789 176.870 0.133 0.000 1.072 318 L CA -0.704 54.137 54.840 0.001 0.000 0.862 318 L CB 0.558 42.654 42.059 0.061 0.000 1.245 318 L HN 0.920 nan 8.230 nan 0.000 0.432 319 A N 3.428 126.287 122.820 0.064 0.000 2.366 319 A HA 0.736 5.055 4.320 -0.001 0.000 0.322 319 A C 0.263 178.038 177.584 0.318 0.000 1.397 319 A CA -0.341 51.837 52.037 0.236 0.000 0.984 319 A CB 0.493 19.570 19.000 0.128 0.000 1.149 319 A HN 0.687 nan 8.150 nan 0.000 0.540 320 A N 2.399 125.417 122.820 0.330 0.000 2.306 320 A HA 0.780 5.099 4.320 -0.001 0.000 0.314 320 A C 0.698 178.354 177.584 0.121 0.000 1.164 320 A CA 0.127 52.353 52.037 0.316 0.000 0.822 320 A CB 0.717 19.950 19.000 0.389 0.000 1.130 320 A HN 1.280 nan 8.150 nan 0.000 0.496 321 G N -0.401 108.374 108.800 -0.042 0.000 2.568 321 G HA2 0.466 4.426 3.960 -0.001 0.000 0.293 321 G HA3 0.466 4.426 3.960 -0.001 0.000 0.293 321 G C -0.167 174.739 174.900 0.011 0.000 1.347 321 G CA -0.328 44.401 45.100 -0.618 0.000 1.039 321 G HN 0.741 nan 8.290 nan 0.000 0.523 322 W N -0.156 121.140 121.300 -0.005 0.000 3.008 322 W HA 0.178 4.837 4.660 -0.001 0.000 0.355 322 W C 2.255 178.862 176.519 0.147 0.000 1.095 322 W CA -0.032 57.400 57.345 0.144 0.000 1.738 322 W CB -0.920 28.611 29.460 0.119 0.000 1.091 322 W HN 0.620 nan 8.180 nan 0.000 0.574 323 S N 1.246 117.115 115.700 0.283 0.000 2.368 323 S HA -0.266 4.203 4.470 -0.001 0.000 0.225 323 S C 1.775 176.523 174.600 0.248 0.000 1.030 323 S CA 1.683 60.033 58.200 0.250 0.000 0.999 323 S CB -0.879 62.448 63.200 0.211 0.000 0.844 323 S HN 0.363 nan 8.310 nan 0.000 0.459 324 M N 0.756 120.495 119.600 0.231 0.000 2.630 324 M HA 0.098 4.577 4.480 -0.001 0.000 0.254 324 M C 1.535 177.928 176.300 0.155 0.000 1.092 324 M CA 1.299 56.702 55.300 0.170 0.000 1.087 324 M CB -0.681 31.986 32.600 0.112 0.000 1.453 324 M HN 0.439 nan 8.290 nan 0.000 0.509 325 Q N 0.863 120.803 119.800 0.233 0.000 2.282 325 Q HA 0.196 4.535 4.340 -0.001 0.000 0.206 325 Q C 1.068 177.173 176.000 0.174 0.000 0.878 325 Q CA 0.225 56.153 55.803 0.209 0.000 0.944 325 Q CB -0.002 28.916 28.738 0.301 0.000 1.100 325 Q HN 0.570 nan 8.270 nan 0.000 0.509 326 R N 0.834 121.453 120.500 0.197 0.000 4.141 326 R HA 0.463 4.802 4.340 -0.001 0.000 0.281 326 R C -0.998 175.393 176.300 0.151 0.000 1.608 326 R CA 0.093 56.298 56.100 0.175 0.000 1.426 326 R CB -0.057 30.384 30.300 0.235 0.000 1.432 326 R HN 0.259 nan 8.270 nan 0.000 0.708 327 M N -1.065 118.613 119.600 0.130 0.000 2.682 327 M HA 0.162 4.641 4.480 -0.001 0.000 0.272 327 M C -0.819 175.551 176.300 0.117 0.000 1.232 327 M CA -0.914 54.465 55.300 0.130 0.000 0.849 327 M CB 2.146 34.843 32.600 0.162 0.000 1.695 327 M HN 0.172 nan 8.290 nan 0.000 0.481 328 H N 0.574 119.611 119.070 -0.055 0.000 3.064 328 H HA -0.007 4.548 4.556 -0.001 0.000 0.329 328 H C -0.369 174.829 175.328 -0.216 0.000 1.020 328 H CA 1.490 57.404 56.048 -0.223 0.000 1.402 328 H CB 0.246 29.845 29.762 -0.273 0.000 1.379 328 H HN 0.771 nan 8.280 nan 0.000 0.594 329 H N 0.832 119.849 119.070 -0.088 0.000 2.862 329 H HA -0.176 4.379 4.556 -0.001 0.000 0.290 329 H C 1.559 176.880 175.328 -0.013 0.000 1.211 329 H CA 0.231 56.199 56.048 -0.134 0.000 1.140 329 H CB -1.423 28.174 29.762 -0.275 0.000 1.341 329 H HN 0.901 nan 8.280 nan 0.000 0.392 330 G N 0.398 109.255 108.800 0.095 0.000 2.462 330 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.220 330 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.220 330 G C 1.397 176.369 174.900 0.122 0.000 1.121 330 G CA 1.189 46.355 45.100 0.110 0.000 0.758 330 G HN 0.492 nan 8.290 nan 0.000 0.559 331 E N 0.466 120.740 120.200 0.124 0.000 2.204 331 E HA -0.097 4.252 4.350 -0.001 0.000 0.195 331 E C 2.651 179.378 176.600 0.212 0.000 0.990 331 E CA 0.858 57.343 56.400 0.143 0.000 0.821 331 E CB -0.060 29.717 29.700 0.129 0.000 0.750 331 E HN 0.330 nan 8.360 nan 0.000 0.477 332 Q N -0.012 119.901 119.800 0.188 0.000 2.167 332 Q HA -0.042 4.297 4.340 -0.001 0.000 0.202 332 Q C 2.191 178.251 176.000 0.100 0.000 0.970 332 Q CA 1.348 57.253 55.803 0.169 0.000 0.855 332 Q CB -0.451 28.340 28.738 0.089 0.000 0.911 332 Q HN 0.349 nan 8.270 nan 0.000 0.438 333 A N 0.748 123.580 122.820 0.020 0.000 1.845 333 A HA -0.212 4.107 4.320 -0.001 0.000 0.215 333 A C 1.712 179.117 177.584 -0.299 0.000 1.195 333 A CA 1.839 53.774 52.037 -0.171 0.000 0.616 333 A CB -0.896 17.932 19.000 -0.288 0.000 0.832 333 A HN 0.461 nan 8.150 nan 0.000 0.443 334 H N -3.528 115.550 119.070 0.013 0.000 2.502 334 H HA -0.066 4.490 4.556 -0.001 0.000 0.283 334 H C 1.666 176.987 175.328 -0.012 0.000 1.015 334 H CA 0.974 56.996 56.048 -0.042 0.000 1.298 334 H CB -0.031 29.721 29.762 -0.018 0.000 1.411 334 H HN 0.710 nan 8.280 nan 0.000 0.556 335 W N 1.131 122.391 121.300 -0.067 0.000 2.379 335 W HA -0.158 4.501 4.660 -0.002 0.000 0.307 335 W C 2.109 178.534 176.519 -0.158 0.000 1.200 335 W CA 1.144 58.424 57.345 -0.109 0.000 1.297 335 W CB -0.568 28.845 29.460 -0.078 0.000 1.140 335 W HN 0.184 nan 8.180 nan 0.000 0.507 336 M N 0.158 119.773 119.600 0.026 0.000 2.175 336 M HA -0.130 4.349 4.480 -0.001 0.000 0.264 336 M C 2.142 178.352 176.300 -0.151 0.000 1.063 336 M CA 1.500 56.732 55.300 -0.112 0.000 1.119 336 M CB -1.230 31.335 32.600 -0.057 0.000 1.377 336 M HN 0.001 nan 8.290 nan 0.000 0.415 337 L N -0.795 120.300 121.223 -0.215 0.000 1.989 337 L HA -0.171 4.169 4.340 -0.001 0.000 0.211 337 L C 2.148 178.850 176.870 -0.281 0.000 1.071 337 L CA 1.614 56.278 54.840 -0.293 0.000 0.749 337 L CB -0.699 41.174 42.059 -0.311 0.000 0.890 337 L HN 0.171 nan 8.230 nan 0.000 0.431 338 V N -0.834 118.874 119.914 -0.343 0.000 2.407 338 V HA -0.311 3.808 4.120 -0.001 0.000 0.248 338 V C 2.453 178.445 176.094 -0.169 0.000 1.055 338 V CA 2.209 64.246 62.300 -0.438 0.000 1.049 338 V CB -0.999 30.566 31.823 -0.431 0.000 0.662 338 V HN 0.568 nan 8.190 nan 0.000 0.455 339 T N 0.423 114.915 114.554 -0.103 0.000 2.746 339 T HA -0.181 4.168 4.350 -0.001 0.000 0.267 339 T C 1.885 176.551 174.700 -0.056 0.000 1.039 339 T CA 1.823 63.863 62.100 -0.101 0.000 1.142 339 T CB -0.319 68.368 68.868 -0.301 0.000 0.866 339 T HN 0.330 nan 8.240 nan 0.000 0.444 340 L N 1.435 122.627 121.223 -0.052 0.000 2.056 340 L HA 0.131 4.470 4.340 -0.001 0.000 0.207 340 L C 2.573 179.449 176.870 0.009 0.000 1.078 340 L CA 1.830 56.681 54.840 0.018 0.000 0.749 340 L CB -0.990 41.089 42.059 0.033 0.000 0.901 340 L HN 0.209 nan 8.230 nan 0.000 0.433 341 A N -1.453 121.342 122.820 -0.042 0.000 1.933 341 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 341 A C 2.366 179.879 177.584 -0.118 0.000 1.175 341 A CA 1.849 53.859 52.037 -0.044 0.000 0.628 341 A CB -0.868 18.145 19.000 0.021 0.000 0.814 341 A HN 0.535 nan 8.150 nan 0.000 0.444 342 S N -0.283 115.376 115.700 -0.069 0.000 2.382 342 S HA -0.135 4.334 4.470 -0.001 0.000 0.228 342 S C 1.939 176.527 174.600 -0.021 0.000 1.027 342 S CA 1.726 59.915 58.200 -0.019 0.000 0.991 342 S CB -0.392 62.947 63.200 0.232 0.000 0.823 342 S HN 0.603 nan 8.310 nan 0.000 0.469 343 M N 0.704 120.304 119.600 0.000 0.000 2.296 343 M HA 0.011 4.490 4.480 -0.001 0.000 0.265 343 M C 1.661 177.998 176.300 0.062 0.000 1.064 343 M CA 1.122 56.450 55.300 0.047 0.000 1.109 343 M CB -0.497 32.117 32.600 0.023 0.000 1.396 343 M HN 0.241 nan 8.290 nan 0.000 0.430 344 L N -0.550 120.663 121.223 -0.016 0.000 2.313 344 L HA 0.058 4.397 4.340 -0.001 0.000 0.214 344 L C 1.544 178.332 176.870 -0.137 0.000 1.119 344 L CA 0.641 55.468 54.840 -0.021 0.000 0.809 344 L CB -0.660 41.398 42.059 -0.002 0.000 0.933 344 L HN 0.603 nan 8.230 nan 0.000 0.449 345 G N -0.003 108.580 108.800 -0.362 0.000 2.143 345 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.248 345 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.248 345 G C 0.606 175.145 174.900 -0.602 0.000 0.991 345 G CA 0.421 45.139 45.100 -0.636 0.000 0.689 345 G HN 0.505 nan 8.290 nan 0.000 0.522 346 Q N -0.739 118.787 119.800 -0.456 0.000 2.219 346 Q HA 0.397 4.736 4.340 -0.001 0.000 0.209 346 Q C 1.087 176.932 176.000 -0.258 0.000 0.854 346 Q CA -0.354 55.282 55.803 -0.279 0.000 0.960 346 Q CB 0.843 29.487 28.738 -0.155 0.000 1.116 346 Q HN 0.687 nan 8.270 nan 0.000 0.500 347 I N 1.155 121.502 120.570 -0.372 0.000 2.752 347 I HA -0.076 4.093 4.170 -0.001 0.000 0.289 347 I C 1.253 177.347 176.117 -0.038 0.000 1.197 347 I CA 1.106 62.315 61.300 -0.151 0.000 1.432 347 I CB 0.386 38.339 38.000 -0.079 0.000 1.359 347 I HN 0.466 nan 8.210 nan 0.000 0.571 348 G N 5.239 114.053 108.800 0.023 0.000 2.179 348 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.260 348 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.260 348 G C 0.074 174.954 174.900 -0.033 0.000 0.977 348 G CA -0.430 44.698 45.100 0.047 0.000 0.641 348 G HN 0.462 nan 8.290 nan 0.000 0.533 349 L N 1.190 122.377 121.223 -0.061 0.000 2.334 349 L HA 0.419 4.758 4.340 -0.001 0.000 0.277 349 L C -1.840 174.988 176.870 -0.070 0.000 1.075 349 L CA -2.272 52.530 54.840 -0.063 0.000 0.804 349 L CB 1.224 43.242 42.059 -0.068 0.000 1.174 349 L HN -0.153 nan 8.230 nan 0.000 0.438 350 P HA -0.003 nan 4.420 nan 0.000 0.260 350 P C 0.747 178.014 177.300 -0.056 0.000 1.185 350 P CA 0.777 63.841 63.100 -0.060 0.000 0.763 350 P CB 0.512 32.189 31.700 -0.038 0.000 0.776 351 G N 2.116 110.877 108.800 -0.065 0.000 2.179 351 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.260 351 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.260 351 G C 0.500 175.350 174.900 -0.084 0.000 0.977 351 G CA -0.111 44.948 45.100 -0.069 0.000 0.641 351 G HN 0.911 nan 8.290 nan 0.000 0.533 352 G N -1.979 106.771 108.800 -0.083 0.000 2.685 352 G HA2 0.914 4.873 3.960 -0.001 0.000 0.298 352 G HA3 0.914 4.873 3.960 -0.001 0.000 0.298 352 G C 0.704 175.552 174.900 -0.086 0.000 1.277 352 G CA 0.913 45.960 45.100 -0.089 0.000 0.986 352 G HN 1.896 nan 8.290 nan 0.000 0.487 353 G N -1.006 107.751 108.800 -0.073 0.000 2.594 353 G HA2 0.395 4.354 3.960 -0.001 0.000 0.217 353 G HA3 0.395 4.354 3.960 -0.001 0.000 0.217 353 G C -0.271 174.684 174.900 0.091 0.000 1.163 353 G CA 0.320 45.407 45.100 -0.022 0.000 1.074 353 G HN 2.057 nan 8.290 nan 0.000 0.589 354 F N -1.007 118.938 119.950 -0.008 0.000 2.664 354 F HA 0.866 5.392 4.527 -0.001 0.000 0.317 354 F C 0.098 175.956 175.800 0.097 0.000 1.108 354 F CA -0.448 57.571 58.000 0.033 0.000 0.957 354 F CB 1.672 40.685 39.000 0.021 0.000 1.365 354 F HN 1.529 nan 8.300 nan 0.000 0.475 355 G N 1.051 109.969 108.800 0.197 0.000 2.753 355 G HA2 0.506 4.465 3.960 -0.001 0.000 0.295 355 G HA3 0.506 4.465 3.960 -0.001 0.000 0.295 355 G C -1.238 173.782 174.900 0.200 0.000 1.437 355 G CA -0.846 44.264 45.100 0.017 0.000 1.094 355 G HN 0.854 nan 8.290 nan 0.000 0.540 356 L N 1.184 122.509 121.223 0.170 0.000 2.769 356 L HA 0.320 4.660 4.340 -0.001 0.000 0.240 356 L C 1.459 178.543 176.870 0.357 0.000 1.163 356 L CA 0.111 55.136 54.840 0.309 0.000 0.962 356 L CB 1.048 43.282 42.059 0.290 0.000 1.258 356 L HN 0.521 nan 8.230 nan 0.000 0.513 357 S N -1.777 113.972 115.700 0.083 0.000 3.082 357 S HA 0.219 4.689 4.470 -0.001 0.000 0.253 357 S C 0.929 175.460 174.600 -0.114 0.000 0.961 357 S CA -0.442 57.775 58.200 0.028 0.000 1.129 357 S CB 0.153 63.411 63.200 0.096 0.000 1.083 357 S HN 0.320 nan 8.310 nan 0.000 0.605 358 Y N 1.208 121.585 120.300 0.128 0.000 2.509 358 Y HA -0.020 4.529 4.550 -0.001 0.000 0.293 358 Y C 2.380 178.437 175.900 0.263 0.000 1.133 358 Y CA 1.408 59.590 58.100 0.137 0.000 1.283 358 Y CB 0.076 38.617 38.460 0.134 0.000 1.001 358 Y HN 0.604 nan 8.280 nan 0.000 0.555 359 H N -2.909 116.274 119.070 0.188 0.000 2.549 359 H HA 0.096 4.652 4.556 -0.001 0.000 0.279 359 H C -0.944 174.421 175.328 0.060 0.000 1.018 359 H CA -0.103 55.981 56.048 0.059 0.000 1.175 359 H CB -0.510 29.210 29.762 -0.070 0.000 1.485 359 H HN 0.314 nan 8.280 nan 0.000 0.543 360 Y N 1.354 121.294 120.300 -0.599 0.000 2.373 360 Y HA 0.370 4.919 4.550 -0.001 0.000 0.336 360 Y C 0.161 176.147 175.900 0.143 0.000 0.979 360 Y CA -0.759 57.142 58.100 -0.331 0.000 1.080 360 Y CB 1.454 39.622 38.460 -0.487 0.000 1.190 360 Y HN 0.196 nan 8.280 nan 0.000 0.446 361 S N 3.926 119.419 115.700 -0.346 0.000 3.486 361 S HA -0.216 4.253 4.470 -0.001 0.000 0.371 361 S C 1.067 175.783 174.600 0.194 0.000 1.001 361 S CA 1.492 59.586 58.200 -0.176 0.000 1.164 361 S CB -1.809 61.130 63.200 -0.436 0.000 0.911 361 S HN 2.091 nan 8.310 nan 0.000 0.472 362 G N -0.445 108.491 108.800 0.227 0.000 2.143 362 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.248 362 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.248 362 G C 0.418 175.517 174.900 0.331 0.000 0.991 362 G CA 0.161 45.453 45.100 0.319 0.000 0.689 362 G HN 1.650 nan 8.290 nan 0.000 0.522 363 G N -1.169 107.713 108.800 0.136 0.000 2.265 363 G HA2 0.486 4.446 3.960 -0.001 0.000 0.240 363 G HA3 0.486 4.446 3.960 -0.001 0.000 0.240 363 G C 1.509 176.274 174.900 -0.226 0.000 1.270 363 G CA 1.591 46.391 45.100 -0.500 0.000 0.901 363 G HN 1.927 nan 8.290 nan 0.000 0.507 364 G N 1.343 109.963 108.800 -0.299 0.000 2.234 364 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.235 364 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.235 364 G C 0.636 175.658 174.900 0.202 0.000 0.997 364 G CA 0.479 45.473 45.100 -0.177 0.000 0.623 364 G HN 1.162 nan 8.290 nan 0.000 0.514 365 T N 3.956 118.714 114.554 0.340 0.000 2.799 365 T HA 0.466 4.815 4.350 -0.001 0.000 0.296 365 T C -2.149 172.702 174.700 0.252 0.000 0.947 365 T CA -0.409 61.920 62.100 0.381 0.000 1.141 365 T CB 1.417 70.483 68.868 0.331 0.000 0.891 365 T HN 0.114 nan 8.240 nan 0.000 0.533 366 P HA 0.045 nan 4.420 nan 0.000 0.260 366 P C -0.342 177.049 177.300 0.150 0.000 1.172 366 P CA 0.141 63.348 63.100 0.178 0.000 0.760 366 P CB 0.260 32.064 31.700 0.174 0.000 0.773 367 S N 1.742 117.506 115.700 0.107 0.000 2.564 367 S HA 0.270 4.740 4.470 -0.001 0.000 0.278 367 S C 0.906 175.562 174.600 0.093 0.000 1.333 367 S CA -0.389 57.865 58.200 0.090 0.000 1.048 367 S CB 0.061 63.272 63.200 0.018 0.000 0.900 367 S HN 0.585 nan 8.310 nan 0.000 0.505 368 T N -0.709 113.914 114.554 0.116 0.000 2.814 368 T HA 0.296 4.645 4.350 -0.001 0.000 0.284 368 T C 1.132 175.863 174.700 0.052 0.000 0.998 368 T CA -0.227 61.947 62.100 0.123 0.000 0.935 368 T CB 0.601 69.604 68.868 0.226 0.000 1.167 368 T HN 0.521 nan 8.240 nan 0.000 0.545 369 S N -1.313 114.406 115.700 0.032 0.000 2.597 369 S HA 0.358 4.827 4.470 -0.001 0.000 0.224 369 S C 1.086 175.579 174.600 -0.179 0.000 0.955 369 S CA -0.436 57.737 58.200 -0.045 0.000 0.933 369 S CB -0.803 62.388 63.200 -0.015 0.000 0.788 369 S HN 1.100 nan 8.310 nan 0.000 0.488 370 G N 2.770 111.382 108.800 -0.312 0.000 2.636 370 G HA2 0.473 4.432 3.960 -0.001 0.000 0.246 370 G HA3 0.473 4.432 3.960 -0.001 0.000 0.246 370 G C -2.552 171.971 174.900 -0.630 0.000 1.216 370 G CA -1.196 43.333 45.100 -0.951 0.000 0.854 370 G HN 0.340 nan 8.290 nan 0.000 0.572 371 P HA 0.426 nan 4.420 nan 0.000 0.278 371 P C -0.250 176.927 177.300 -0.203 0.000 1.258 371 P CA -0.332 62.561 63.100 -0.346 0.000 0.811 371 P CB 1.179 32.698 31.700 -0.300 0.000 1.063 372 A N 1.363 124.108 122.820 -0.124 0.000 2.332 372 A HA 0.463 4.782 4.320 -0.001 0.000 0.258 372 A C -0.522 177.034 177.584 -0.048 0.000 1.087 372 A CA -0.227 51.770 52.037 -0.067 0.000 0.802 372 A CB -0.311 18.649 19.000 -0.066 0.000 1.042 372 A HN 0.565 nan 8.150 nan 0.000 0.489 373 L N 1.147 122.356 121.223 -0.024 0.000 2.356 373 L HA 0.771 5.111 4.340 -0.001 0.000 0.277 373 L C 0.047 176.876 176.870 -0.068 0.000 0.996 373 L CA 0.116 54.947 54.840 -0.016 0.000 0.822 373 L CB 1.410 43.488 42.059 0.031 0.000 1.256 373 L HN 0.950 nan 8.230 nan 0.000 0.413 374 A N 2.842 125.600 122.820 -0.103 0.000 2.387 374 A HA 0.993 5.312 4.320 -0.001 0.000 0.303 374 A C -0.268 177.026 177.584 -0.483 0.000 1.145 374 A CA 0.033 51.950 52.037 -0.201 0.000 0.801 374 A CB 1.431 20.355 19.000 -0.127 0.000 1.342 374 A HN 0.919 nan 8.150 nan 0.000 0.440 375 G N -0.903 107.490 108.800 -0.678 0.000 3.243 375 G HA2 0.527 4.487 3.960 -0.001 0.000 0.248 375 G HA3 0.527 4.487 3.960 -0.001 0.000 0.248 375 G C -0.475 173.905 174.900 -0.866 0.000 1.267 375 G CA -0.673 43.566 45.100 -1.434 0.000 0.906 375 G HN 0.932 nan 8.290 nan 0.000 0.592 376 I N 1.012 121.176 120.570 -0.677 0.000 2.813 376 I HA 0.355 4.525 4.170 -0.001 0.000 0.287 376 I C 1.026 176.973 176.117 -0.284 0.000 1.196 376 I CA 0.140 61.229 61.300 -0.351 0.000 1.421 376 I CB 1.122 38.785 38.000 -0.562 0.000 1.365 376 I HN 0.692 nan 8.210 nan 0.000 0.591 377 T N 1.293 115.726 114.554 -0.202 0.000 2.927 377 T HA 0.330 4.679 4.350 -0.001 0.000 0.286 377 T C 0.213 174.812 174.700 -0.169 0.000 1.040 377 T CA -0.331 61.678 62.100 -0.151 0.000 1.010 377 T CB 1.448 70.269 68.868 -0.078 0.000 1.177 377 T HN 0.644 nan 8.240 nan 0.000 0.546 378 D N -1.344 118.979 120.400 -0.128 0.000 2.336 378 D HA 0.252 4.891 4.640 -0.001 0.000 0.229 378 D C 1.674 177.926 176.300 -0.081 0.000 1.061 378 D CA 0.496 54.421 54.000 -0.124 0.000 0.875 378 D CB -0.739 40.008 40.800 -0.088 0.000 0.904 378 D HN 1.166 nan 8.370 nan 0.000 0.525 379 G N -0.642 108.120 108.800 -0.065 0.000 2.284 379 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.261 379 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.261 379 G C 0.834 175.728 174.900 -0.011 0.000 0.997 379 G CA 0.310 45.391 45.100 -0.031 0.000 0.621 379 G HN 0.833 nan 8.290 nan 0.000 0.534 395 S N -0.494 115.244 115.700 0.063 0.000 2.548 395 S HA 0.418 4.887 4.470 -0.001 0.000 0.215 395 S C 0.295 174.925 174.600 0.050 0.000 0.976 395 S CA 0.734 58.950 58.200 0.026 0.000 0.908 395 S CB -0.166 63.007 63.200 -0.045 0.000 0.781 395 S HN 1.411 nan 8.310 nan 0.000 0.519 396 V N 2.457 122.428 119.914 0.095 0.000 2.808 396 V HA 0.601 4.720 4.120 -0.001 0.000 0.308 396 V C -0.607 175.563 176.094 0.126 0.000 1.099 396 V CA -1.084 61.276 62.300 0.099 0.000 0.920 396 V CB 1.867 33.723 31.823 0.055 0.000 1.014 396 V HN 0.516 nan 8.190 nan 0.000 0.425 397 I N 1.440 122.058 120.570 0.081 0.000 2.785 397 I HA 0.766 4.936 4.170 -0.001 0.000 0.302 397 I C -2.849 173.157 176.117 -0.184 0.000 1.069 397 I CA -2.914 58.348 61.300 -0.064 0.000 1.045 397 I CB 2.445 40.398 38.000 -0.079 0.000 1.236 397 I HN 0.349 nan 8.210 nan 0.000 0.429 398 P HA -0.029 nan 4.420 nan 0.000 0.262 398 P C 1.221 178.407 177.300 -0.191 0.000 1.182 398 P CA -0.276 62.573 63.100 -0.419 0.000 0.761 398 P CB 0.723 32.130 31.700 -0.488 0.000 0.795 399 V N 2.083 121.932 119.914 -0.110 0.000 2.324 399 V HA -0.288 3.831 4.120 -0.001 0.000 0.250 399 V C 1.936 178.011 176.094 -0.031 0.000 1.060 399 V CA 2.156 64.462 62.300 0.010 0.000 1.042 399 V CB -2.167 29.682 31.823 0.043 0.000 0.650 399 V HN 0.513 nan 8.190 nan 0.000 0.450 400 A N 0.017 122.694 122.820 -0.239 0.000 2.209 400 A HA 0.036 4.355 4.320 -0.001 0.000 0.212 400 A C 2.060 179.649 177.584 0.008 0.000 1.158 400 A CA 0.739 52.673 52.037 -0.172 0.000 0.742 400 A CB -0.442 18.308 19.000 -0.416 0.000 0.790 400 A HN 0.544 nan 8.150 nan 0.000 0.472 401 R N -0.501 119.941 120.500 -0.096 0.000 2.356 401 R HA 0.092 4.432 4.340 -0.001 0.000 0.234 401 R C 1.507 177.634 176.300 -0.288 0.000 0.929 401 R CA 0.479 56.491 56.100 -0.148 0.000 1.084 401 R CB -0.810 29.397 30.300 -0.155 0.000 1.105 401 R HN 0.393 nan 8.270 nan 0.000 0.515 402 V N 0.548 120.304 119.914 -0.264 0.000 2.332 402 V HA -0.239 3.880 4.120 -0.001 0.000 0.248 402 V C 2.014 177.839 176.094 -0.448 0.000 1.055 402 V CA 1.807 63.845 62.300 -0.437 0.000 1.038 402 V CB -0.015 31.608 31.823 -0.333 0.000 0.651 402 V HN 0.081 nan 8.190 nan 0.000 0.450 403 V N 0.173 119.889 119.914 -0.330 0.000 2.379 403 V HA -0.166 3.953 4.120 -0.001 0.000 0.245 403 V C 2.368 178.279 176.094 -0.305 0.000 1.044 403 V CA 2.224 64.378 62.300 -0.243 0.000 1.036 403 V CB -0.764 31.013 31.823 -0.077 0.000 0.664 403 V HN 0.582 nan 8.190 nan 0.000 0.453 404 D N -0.322 119.887 120.400 -0.318 0.000 2.133 404 D HA -0.255 4.384 4.640 -0.001 0.000 0.195 404 D C 2.047 177.829 176.300 -0.864 0.000 0.997 404 D CA 1.836 55.584 54.000 -0.420 0.000 0.840 404 D CB -0.249 40.379 40.800 -0.286 0.000 0.947 404 D HN 0.413 nan 8.370 nan 0.000 0.452 405 M N 0.178 119.030 119.600 -1.248 0.000 2.080 405 M HA -0.177 4.302 4.480 -0.001 0.000 0.260 405 M C 2.096 177.984 176.300 -0.686 0.000 1.068 405 M CA 1.349 55.792 55.300 -1.428 0.000 1.109 405 M CB -0.084 31.940 32.600 -0.960 0.000 1.342 405 M HN -0.024 nan 8.290 nan 0.000 0.405 406 L N -0.064 120.839 121.223 -0.534 0.000 2.083 406 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 406 L C 2.115 178.817 176.870 -0.280 0.000 1.083 406 L CA 1.509 56.119 54.840 -0.383 0.000 0.752 406 L CB -0.674 41.149 42.059 -0.393 0.000 0.899 406 L HN 0.398 nan 8.230 nan 0.000 0.433 407 E N -0.294 119.748 120.200 -0.262 0.000 2.358 407 E HA -0.021 4.328 4.350 -0.001 0.000 0.195 407 E C 0.253 176.779 176.600 -0.124 0.000 1.010 407 E CA 0.329 56.631 56.400 -0.163 0.000 0.856 407 E CB 0.201 29.823 29.700 -0.130 0.000 0.795 407 E HN 0.469 nan 8.360 nan 0.000 0.504 408 N N 1.509 120.116 118.700 -0.155 0.000 2.679 408 N HA 0.146 4.885 4.740 -0.001 0.000 0.302 408 N C -2.774 172.776 175.510 0.065 0.000 1.941 408 N CA -0.958 52.082 53.050 -0.017 0.000 0.875 408 N CB 1.223 39.762 38.487 0.088 0.000 1.278 408 N HN 0.031 nan 8.380 nan 0.000 0.490 409 P HA 0.014 nan 4.420 nan 0.000 0.264 409 P C 1.088 178.456 177.300 0.113 0.000 1.193 409 P CA 1.124 64.259 63.100 0.058 0.000 0.763 409 P CB 0.649 32.345 31.700 -0.007 0.000 0.810 410 G N 1.740 110.635 108.800 0.159 0.000 2.205 410 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.261 410 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.261 410 G C 0.411 175.388 174.900 0.128 0.000 0.980 410 G CA 0.176 45.348 45.100 0.119 0.000 0.632 410 G HN 0.898 nan 8.290 nan 0.000 0.533 411 A N 0.034 122.979 122.820 0.208 0.000 2.322 411 A HA 0.665 4.984 4.320 -0.001 0.000 0.269 411 A C 0.392 178.028 177.584 0.087 0.000 1.094 411 A CA 0.058 52.200 52.037 0.175 0.000 0.807 411 A CB 0.420 19.569 19.000 0.247 0.000 1.047 411 A HN 0.472 nan 8.150 nan 0.000 0.487 412 E N -0.326 119.877 120.200 0.006 0.000 2.343 412 E HA 0.501 4.850 4.350 -0.001 0.000 0.269 412 E C -1.025 175.506 176.600 -0.115 0.000 1.047 412 E CA 0.125 56.451 56.400 -0.123 0.000 0.874 412 E CB 0.920 30.555 29.700 -0.109 0.000 1.033 412 E HN 0.530 nan 8.360 nan 0.000 0.409 413 F N -0.925 118.811 119.950 -0.357 0.000 2.613 413 F HA 0.503 5.029 4.527 -0.001 0.000 0.310 413 F C -0.774 174.933 175.800 -0.156 0.000 1.085 413 F CA -1.290 56.524 58.000 -0.310 0.000 0.945 413 F CB 1.279 39.960 39.000 -0.531 0.000 1.298 413 F HN 0.100 nan 8.300 nan 0.000 0.455 414 D N 1.810 122.234 120.400 0.039 0.000 2.175 414 D HA 0.447 5.086 4.640 -0.001 0.000 0.248 414 D C -1.648 174.788 176.300 0.227 0.000 1.047 414 D CA 0.137 54.148 54.000 0.017 0.000 0.883 414 D CB 2.423 43.171 40.800 -0.087 0.000 1.180 414 D HN 0.607 nan 8.370 nan 0.000 0.438 415 F N 2.472 122.456 119.950 0.057 0.000 2.839 415 F HA 0.155 4.681 4.527 -0.001 0.000 0.344 415 F C -0.062 175.826 175.800 0.146 0.000 1.242 415 F CA -0.792 57.280 58.000 0.120 0.000 1.091 415 F CB 0.584 39.717 39.000 0.222 0.000 1.374 415 F HN 0.206 nan 8.300 nan 0.000 0.553 416 N N 4.189 122.617 118.700 -0.454 0.000 2.716 416 N HA -0.172 4.568 4.740 -0.001 0.000 0.250 416 N C 0.868 176.331 175.510 -0.079 0.000 1.033 416 N CA 2.182 55.013 53.050 -0.365 0.000 0.727 416 N CB -0.970 37.018 38.487 -0.831 0.000 0.950 416 N HN 1.790 nan 8.380 nan 0.000 0.541 417 G N -2.664 106.196 108.800 0.100 0.000 2.213 417 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.236 417 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.236 417 G C 0.143 175.049 174.900 0.010 0.000 0.991 417 G CA 1.039 46.123 45.100 -0.026 0.000 0.629 417 G HN 1.433 nan 8.290 nan 0.000 0.517 418 T N -0.901 113.679 114.554 0.044 0.000 2.887 418 T HA 0.723 5.072 4.350 -0.001 0.000 0.288 418 T C -0.260 174.415 174.700 -0.042 0.000 1.021 418 T CA -0.621 61.480 62.100 0.001 0.000 1.000 418 T CB 1.814 70.677 68.868 -0.007 0.000 1.034 418 T HN 0.375 nan 8.240 nan 0.000 0.467 419 R N 2.492 122.922 120.500 -0.116 0.000 2.393 419 R HA 0.715 5.054 4.340 -0.001 0.000 0.310 419 R C -0.575 175.510 176.300 -0.359 0.000 0.968 419 R CA -0.699 55.255 56.100 -0.243 0.000 0.867 419 R CB 1.966 32.164 30.300 -0.171 0.000 1.124 419 R HN 0.756 nan 8.270 nan 0.000 0.450 420 S N 1.447 116.727 115.700 -0.701 0.000 2.732 420 S HA 0.479 4.948 4.470 -0.001 0.000 0.293 420 S C -0.916 173.290 174.600 -0.657 0.000 1.159 420 S CA -0.977 56.848 58.200 -0.625 0.000 0.847 420 S CB 2.242 65.055 63.200 -0.645 0.000 1.169 420 S HN 0.362 nan 8.310 nan 0.000 0.501 421 K N 0.444 120.667 120.400 -0.295 0.000 2.164 421 K HA 0.487 4.806 4.320 -0.001 0.000 0.258 421 K C -1.209 175.466 176.600 0.125 0.000 0.951 421 K CA -0.355 55.871 56.287 -0.101 0.000 0.844 421 K CB 1.024 33.512 32.500 -0.020 0.000 1.099 421 K HN 0.428 nan 8.250 nan 0.000 0.435 422 F N 4.104 124.224 119.950 0.283 0.000 2.484 422 F HA 0.099 4.625 4.527 -0.001 0.000 0.360 422 F C -1.332 174.520 175.800 0.087 0.000 1.101 422 F CA -1.386 56.731 58.000 0.195 0.000 1.251 422 F CB 0.481 39.518 39.000 0.061 0.000 1.132 422 F HN 0.324 nan 8.300 nan 0.000 0.570 423 P HA -0.019 nan 4.420 nan 0.000 0.274 423 P C -1.060 176.286 177.300 0.077 0.000 1.246 423 P CA -0.310 62.877 63.100 0.145 0.000 0.795 423 P CB 0.884 32.663 31.700 0.131 0.000 1.006 424 D N 1.160 121.580 120.400 0.033 0.000 2.485 424 D HA 0.214 4.853 4.640 -0.001 0.000 0.221 424 D C -0.687 175.554 176.300 -0.098 0.000 1.112 424 D CA -0.462 53.517 54.000 -0.036 0.000 0.911 424 D CB -0.236 40.553 40.800 -0.019 0.000 1.019 424 D HN -0.108 nan 8.370 nan 0.000 0.516 425 V N 4.946 124.785 119.914 -0.124 0.000 2.546 425 V HA 0.225 4.344 4.120 -0.001 0.000 0.284 425 V C 1.253 177.220 176.094 -0.213 0.000 1.050 425 V CA -0.208 62.014 62.300 -0.129 0.000 0.981 425 V CB 1.692 33.442 31.823 -0.121 0.000 0.990 425 V HN 0.424 nan 8.190 nan 0.000 0.474 426 K N 3.291 123.563 120.400 -0.214 0.000 2.425 426 K HA 0.358 4.677 4.320 -0.001 0.000 0.201 426 K C -0.011 176.540 176.600 -0.082 0.000 1.128 426 K CA 0.253 56.399 56.287 -0.234 0.000 1.000 426 K CB 0.905 33.140 32.500 -0.441 0.000 0.961 426 K HN 0.655 nan 8.250 nan 0.000 0.555 427 M N 0.560 120.158 119.600 -0.004 0.000 2.395 427 M HA 0.552 5.031 4.480 -0.001 0.000 0.307 427 M C -1.866 174.521 176.300 0.145 0.000 1.091 427 M CA -0.604 54.748 55.300 0.086 0.000 0.919 427 M CB 2.303 34.995 32.600 0.153 0.000 1.662 427 M HN -0.019 nan 8.290 nan 0.000 0.440 428 A N 3.729 126.688 122.820 0.232 0.000 2.365 428 A HA 0.632 4.951 4.320 -0.001 0.000 0.318 428 A C -2.328 175.592 177.584 0.561 0.000 1.091 428 A CA -0.454 51.835 52.037 0.420 0.000 0.763 428 A CB 1.093 20.367 19.000 0.455 0.000 1.248 428 A HN 0.929 nan 8.150 nan 0.000 0.442 429 Y N 2.120 122.613 120.300 0.322 0.000 2.332 429 Y HA 0.484 5.033 4.550 -0.001 0.000 0.326 429 Y C -1.171 174.840 175.900 0.185 0.000 0.978 429 Y CA -0.679 57.548 58.100 0.212 0.000 1.205 429 Y CB 1.035 39.539 38.460 0.074 0.000 1.131 429 Y HN 0.749 nan 8.280 nan 0.000 0.462 430 W N 7.688 129.233 121.300 0.409 0.000 2.702 430 W HA 0.611 5.270 4.660 -0.001 0.000 0.331 430 W C -1.582 175.047 176.519 0.183 0.000 1.049 430 W CA -0.720 56.814 57.345 0.314 0.000 1.230 430 W CB 1.837 31.539 29.460 0.403 0.000 1.408 430 W HN 0.418 nan 8.180 nan 0.000 0.492 431 V N 1.046 121.160 119.914 0.334 0.000 2.925 431 V HA 0.850 4.969 4.120 -0.001 0.000 0.311 431 V C 0.414 176.679 176.094 0.285 0.000 1.104 431 V CA -0.360 62.080 62.300 0.234 0.000 0.954 431 V CB 1.157 33.029 31.823 0.083 0.000 1.022 431 V HN 1.062 nan 8.190 nan 0.000 0.427 432 G N 1.193 110.143 108.800 0.250 0.000 2.283 432 G HA2 0.223 4.183 3.960 -0.001 0.000 0.280 432 G HA3 0.223 4.183 3.960 -0.001 0.000 0.280 432 G C 0.593 175.690 174.900 0.329 0.000 1.029 432 G CA 0.692 45.938 45.100 0.243 0.000 0.840 432 G HN 2.337 nan 8.290 nan 0.000 0.505 433 G N -1.253 107.803 108.800 0.427 0.000 2.704 433 G HA2 0.555 4.514 3.960 -0.001 0.000 0.293 433 G HA3 0.555 4.514 3.960 -0.001 0.000 0.293 433 G C -1.096 173.949 174.900 0.242 0.000 1.421 433 G CA -0.246 45.166 45.100 0.521 0.000 0.870 433 G HN 0.610 nan 8.290 nan 0.000 0.492 434 N N 0.999 119.805 118.700 0.176 0.000 2.752 434 N HA 0.348 5.087 4.740 -0.001 0.000 0.260 434 N C -1.608 173.615 175.510 -0.478 0.000 1.562 434 N CA -1.935 51.049 53.050 -0.110 0.000 0.788 434 N CB 2.194 40.675 38.487 -0.010 0.000 1.192 434 N HN 0.150 nan 8.380 nan 0.000 0.503 435 P HA -0.066 nan 4.420 nan 0.000 0.220 435 P C 0.800 177.473 177.300 -1.045 0.000 1.148 435 P CA 0.799 62.992 63.100 -1.511 0.000 0.803 435 P CB -0.006 30.750 31.700 -1.573 0.000 0.782 436 F N -0.858 118.645 119.950 -0.744 0.000 2.795 436 F HA 0.010 4.537 4.527 -0.001 0.000 0.303 436 F C 1.951 177.521 175.800 -0.383 0.000 1.186 436 F CA 0.520 58.160 58.000 -0.600 0.000 1.415 436 F CB -0.119 38.543 39.000 -0.564 0.000 1.106 436 F HN -0.232 nan 8.300 nan 0.000 0.558 437 V N -1.742 118.036 119.914 -0.227 0.000 3.165 437 V HA -0.094 4.026 4.120 -0.001 0.000 0.231 437 V C 2.092 178.129 176.094 -0.096 0.000 1.365 437 V CA 0.739 62.992 62.300 -0.077 0.000 1.286 437 V CB -0.247 31.616 31.823 0.066 0.000 1.081 437 V HN 0.399 nan 8.190 nan 0.000 0.477 438 H N -0.549 118.419 119.070 -0.169 0.000 2.525 438 H HA 0.062 4.617 4.556 -0.001 0.000 0.275 438 H C 1.017 176.176 175.328 -0.282 0.000 0.984 438 H CA 0.360 56.263 56.048 -0.243 0.000 1.264 438 H CB 0.171 29.721 29.762 -0.354 0.000 1.432 438 H HN 0.507 nan 8.280 nan 0.000 0.549 439 H N 1.623 120.514 119.070 -0.298 0.000 2.562 439 H HA 0.181 4.736 4.556 -0.001 0.000 0.352 439 H C -0.349 174.912 175.328 -0.112 0.000 1.125 439 H CA -0.438 55.543 56.048 -0.111 0.000 1.379 439 H CB 1.073 30.659 29.762 -0.294 0.000 1.464 439 H HN 0.182 nan 8.280 nan 0.000 0.563 440 Q N 1.721 121.086 119.800 -0.726 0.000 2.354 440 Q HA 0.181 4.520 4.340 -0.001 0.000 0.244 440 Q C -0.427 175.370 176.000 -0.339 0.000 0.969 440 Q CA 0.072 55.622 55.803 -0.422 0.000 0.885 440 Q CB 0.401 28.940 28.738 -0.332 0.000 1.241 440 Q HN 0.768 nan 8.270 nan 0.000 0.461 441 D N 0.393 120.663 120.400 -0.217 0.000 3.133 441 D HA -0.177 4.462 4.640 -0.001 0.000 0.239 441 D C 0.516 176.705 176.300 -0.184 0.000 1.136 441 D CA 0.262 54.163 54.000 -0.165 0.000 0.898 441 D CB -0.205 40.520 40.800 -0.124 0.000 0.959 441 D HN 0.633 nan 8.370 nan 0.000 0.415 442 R N 1.684 122.035 120.500 -0.248 0.000 2.103 442 R HA -0.091 4.248 4.340 -0.001 0.000 0.242 442 R C 1.875 178.024 176.300 -0.251 0.000 1.142 442 R CA 2.233 58.114 56.100 -0.364 0.000 0.960 442 R CB -0.201 29.733 30.300 -0.610 0.000 0.858 442 R HN 0.397 nan 8.270 nan 0.000 0.439 443 N N 0.125 118.741 118.700 -0.141 0.000 2.188 443 N HA -0.169 4.570 4.740 -0.001 0.000 0.184 443 N C 1.721 177.205 175.510 -0.043 0.000 1.018 443 N CA 1.306 54.324 53.050 -0.053 0.000 0.858 443 N CB -0.313 38.167 38.487 -0.010 0.000 0.989 443 N HN 0.303 nan 8.380 nan 0.000 0.426 444 R N 0.929 121.393 120.500 -0.059 0.000 2.081 444 R HA -0.005 4.334 4.340 -0.001 0.000 0.235 444 R C 2.284 178.560 176.300 -0.042 0.000 1.131 444 R CA 1.018 57.094 56.100 -0.040 0.000 0.960 444 R CB -0.205 30.069 30.300 -0.043 0.000 0.856 444 R HN 0.166 nan 8.270 nan 0.000 0.436 445 M N 0.289 119.836 119.600 -0.089 0.000 2.159 445 M HA -0.136 4.343 4.480 -0.001 0.000 0.263 445 M C 1.759 177.988 176.300 -0.119 0.000 1.063 445 M CA 1.511 56.732 55.300 -0.132 0.000 1.110 445 M CB 0.103 32.531 32.600 -0.286 0.000 1.374 445 M HN 0.121 nan 8.290 nan 0.000 0.411 446 V N 1.049 120.900 119.914 -0.105 0.000 2.343 446 V HA -0.261 3.858 4.120 -0.001 0.000 0.247 446 V C 2.412 178.582 176.094 0.127 0.000 1.051 446 V CA 2.076 64.404 62.300 0.048 0.000 1.036 446 V CB -0.692 31.188 31.823 0.094 0.000 0.654 446 V HN 0.483 nan 8.190 nan 0.000 0.451 447 K N 1.023 121.469 120.400 0.077 0.000 2.062 447 K HA -0.010 4.309 4.320 -0.001 0.000 0.205 447 K C 2.029 178.673 176.600 0.072 0.000 1.051 447 K CA 1.723 58.053 56.287 0.073 0.000 0.941 447 K CB -0.730 31.793 32.500 0.038 0.000 0.719 447 K HN 0.357 nan 8.250 nan 0.000 0.440 448 A N 0.046 122.901 122.820 0.059 0.000 1.972 448 A HA -0.146 4.173 4.320 -0.001 0.000 0.219 448 A C 2.129 179.748 177.584 0.058 0.000 1.169 448 A CA 1.142 53.194 52.037 0.025 0.000 0.635 448 A CB -1.072 17.918 19.000 -0.016 0.000 0.810 448 A HN 0.615 nan 8.150 nan 0.000 0.446 449 W N 0.743 121.963 121.300 -0.133 0.000 2.421 449 W HA -0.133 4.526 4.660 -0.001 0.000 0.270 449 W C 1.509 177.993 176.519 -0.057 0.000 1.233 449 W CA 1.374 58.643 57.345 -0.127 0.000 1.226 449 W CB 0.027 29.447 29.460 -0.066 0.000 1.121 449 W HN 0.570 nan 8.180 nan 0.000 0.579 450 E N 0.004 120.284 120.200 0.134 0.000 2.409 450 E HA -0.204 4.145 4.350 -0.001 0.000 0.198 450 E C 2.000 178.598 176.600 -0.003 0.000 1.024 450 E CA 0.569 57.014 56.400 0.075 0.000 0.861 450 E CB -0.154 29.590 29.700 0.073 0.000 0.788 450 E HN 0.172 nan 8.360 nan 0.000 0.521 451 K N 0.764 121.120 120.400 -0.072 0.000 2.288 451 K HA -0.034 4.285 4.320 -0.001 0.000 0.201 451 K C 0.391 176.900 176.600 -0.151 0.000 1.048 451 K CA 0.221 56.439 56.287 -0.115 0.000 0.956 451 K CB 0.111 32.511 32.500 -0.167 0.000 0.746 451 K HN 0.101 nan 8.250 nan 0.000 0.461 452 L N 1.667 122.764 121.223 -0.210 0.000 2.380 452 L HA 0.056 4.395 4.340 -0.001 0.000 0.273 452 L C 1.327 178.172 176.870 -0.042 0.000 1.138 452 L CA -0.149 54.571 54.840 -0.200 0.000 0.832 452 L CB 1.074 42.910 42.059 -0.373 0.000 1.124 452 L HN 0.127 nan 8.230 nan 0.000 0.454 453 E N 0.954 121.159 120.200 0.008 0.000 2.072 453 E HA -0.028 4.321 4.350 -0.001 0.000 0.190 453 E C -0.168 176.558 176.600 0.209 0.000 0.982 453 E CA 0.944 57.420 56.400 0.127 0.000 0.803 453 E CB 0.244 30.036 29.700 0.154 0.000 0.755 453 E HN 0.609 nan 8.360 nan 0.000 0.453 454 T N 0.402 115.035 114.554 0.133 0.000 2.921 454 T HA 0.377 4.726 4.350 -0.001 0.000 0.297 454 T C -1.479 173.285 174.700 0.106 0.000 1.013 454 T CA -0.594 61.539 62.100 0.055 0.000 0.990 454 T CB 1.494 70.438 68.868 0.126 0.000 1.023 454 T HN -0.054 nan 8.240 nan 0.000 0.447 455 F N 4.071 123.928 119.950 -0.155 0.000 2.499 455 F HA 0.673 5.199 4.527 -0.001 0.000 0.333 455 F C -1.221 174.530 175.800 -0.082 0.000 1.138 455 F CA -1.458 56.546 58.000 0.005 0.000 0.945 455 F CB 0.911 40.038 39.000 0.211 0.000 1.181 455 F HN 0.302 nan 8.300 nan 0.000 0.435 456 V N 6.610 126.322 119.914 -0.337 0.000 2.459 456 V HA 0.676 4.795 4.120 -0.001 0.000 0.295 456 V C -0.582 175.170 176.094 -0.570 0.000 1.029 456 V CA -0.809 61.140 62.300 -0.585 0.000 0.874 456 V CB 1.507 32.731 31.823 -0.998 0.000 0.985 456 V HN 0.554 nan 8.190 nan 0.000 0.438 457 V N 4.212 123.877 119.914 -0.416 0.000 2.735 457 V HA 0.520 4.639 4.120 -0.001 0.000 0.310 457 V C -0.747 175.368 176.094 0.034 0.000 1.061 457 V CA -0.706 61.477 62.300 -0.196 0.000 0.913 457 V CB 2.135 33.769 31.823 -0.315 0.000 1.005 457 V HN 0.957 nan 8.190 nan 0.000 0.428 458 H N 2.655 121.727 119.070 0.003 0.000 2.489 458 H HA 0.706 5.262 4.556 -0.001 0.000 0.343 458 H C -1.058 174.242 175.328 -0.048 0.000 1.086 458 H CA -0.758 55.275 56.048 -0.025 0.000 1.198 458 H CB 2.391 32.175 29.762 0.037 0.000 1.490 458 H HN 0.615 nan 8.280 nan 0.000 0.504 459 D N 1.634 122.024 120.400 -0.016 0.000 2.665 459 D HA 0.021 4.660 4.640 -0.001 0.000 0.287 459 D C -0.621 175.598 176.300 -0.135 0.000 1.266 459 D CA -0.558 53.361 54.000 -0.136 0.000 0.830 459 D CB 1.614 42.256 40.800 -0.264 0.000 1.356 459 D HN 0.462 nan 8.370 nan 0.000 0.437 460 F N -0.598 119.316 119.950 -0.060 0.000 2.682 460 F HA 0.474 5.000 4.527 -0.001 0.000 0.308 460 F C 0.462 176.208 175.800 -0.091 0.000 1.093 460 F CA -0.242 57.709 58.000 -0.082 0.000 1.244 460 F CB 0.368 39.362 39.000 -0.009 0.000 1.052 460 F HN -0.097 nan 8.300 nan 0.000 0.573 461 Q N 0.266 119.898 119.800 -0.280 0.000 2.375 461 Q HA 0.162 4.501 4.340 -0.001 0.000 0.271 461 Q C -1.621 174.247 176.000 -0.220 0.000 1.074 461 Q CA -0.570 55.193 55.803 -0.068 0.000 0.808 461 Q CB 1.906 30.724 28.738 0.132 0.000 1.327 461 Q HN 0.498 nan 8.270 nan 0.000 0.441 462 W N 3.131 124.382 121.300 -0.083 0.000 1.539 462 W HA 0.028 4.687 4.660 -0.001 0.000 0.502 462 W C 0.981 177.179 176.519 -0.536 0.000 0.689 462 W CA -0.033 57.180 57.345 -0.220 0.000 2.088 462 W CB -0.066 29.327 29.460 -0.112 0.000 1.686 462 W HN 0.413 nan 8.180 nan 0.000 0.211 463 T N -1.159 113.056 114.554 -0.566 0.000 2.754 463 T HA 0.153 4.502 4.350 -0.001 0.000 0.286 463 T C -1.552 172.850 174.700 -0.497 0.000 0.997 463 T CA -1.344 60.131 62.100 -1.041 0.000 0.982 463 T CB 1.024 69.459 68.868 -0.722 0.000 1.027 463 T HN -0.067 nan 8.240 nan 0.000 0.529 464 P HA -0.048 nan 4.420 nan 0.000 0.218 464 P C 1.615 178.863 177.300 -0.087 0.000 1.148 464 P CA 1.104 64.142 63.100 -0.104 0.000 0.822 464 P CB -0.229 31.490 31.700 0.030 0.000 0.784 465 T N -0.694 113.773 114.554 -0.144 0.000 2.737 465 T HA -0.132 4.217 4.350 -0.001 0.000 0.265 465 T C 1.891 176.535 174.700 -0.093 0.000 1.038 465 T CA 1.663 63.711 62.100 -0.087 0.000 1.144 465 T CB -0.972 67.864 68.868 -0.053 0.000 0.866 465 T HN 0.029 nan 8.240 nan 0.000 0.434 466 A N 1.850 124.594 122.820 -0.127 0.000 1.908 466 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 466 A C 2.341 180.013 177.584 0.146 0.000 1.181 466 A CA 1.569 53.534 52.037 -0.121 0.000 0.627 466 A CB -0.551 18.260 19.000 -0.315 0.000 0.818 466 A HN 0.430 nan 8.150 nan 0.000 0.445 467 R N -1.432 119.188 120.500 0.201 0.000 2.127 467 R HA -0.147 4.192 4.340 -0.001 0.000 0.238 467 R C 1.400 177.738 176.300 0.062 0.000 1.134 467 R CA 1.608 57.846 56.100 0.229 0.000 0.975 467 R CB -0.385 29.911 30.300 -0.007 0.000 0.865 467 R HN 0.708 nan 8.270 nan 0.000 0.447 468 H N -0.618 118.363 119.070 -0.149 0.000 2.539 468 H HA 0.290 4.845 4.556 -0.001 0.000 0.269 468 H C 0.249 175.629 175.328 0.086 0.000 0.980 468 H CA 0.155 56.055 56.048 -0.247 0.000 1.152 468 H CB 0.320 29.455 29.762 -1.044 0.000 1.407 468 H HN 0.199 nan 8.280 nan 0.000 0.564 469 A N 0.108 123.041 122.820 0.189 0.000 2.313 469 A HA 0.102 4.421 4.320 -0.001 0.000 0.261 469 A C 0.807 178.476 177.584 0.141 0.000 1.090 469 A CA -0.331 51.739 52.037 0.056 0.000 0.807 469 A CB 0.568 19.423 19.000 -0.242 0.000 1.055 469 A HN 0.263 nan 8.150 nan 0.000 0.492 470 D N -0.365 120.024 120.400 -0.019 0.000 2.216 470 D HA 0.129 4.769 4.640 -0.001 0.000 0.208 470 D C 0.055 176.284 176.300 -0.119 0.000 0.960 470 D CA 1.413 55.299 54.000 -0.190 0.000 0.861 470 D CB 0.146 40.468 40.800 -0.797 0.000 0.985 470 D HN 0.469 nan 8.370 nan 0.000 0.493 471 I N 1.050 121.513 120.570 -0.179 0.000 2.466 471 I HA 0.193 4.362 4.170 -0.001 0.000 0.289 471 I C -0.916 175.100 176.117 -0.169 0.000 1.026 471 I CA -0.690 60.539 61.300 -0.118 0.000 1.078 471 I CB 3.016 40.928 38.000 -0.148 0.000 1.249 471 I HN -0.396 nan 8.210 nan 0.000 0.429 472 V N 7.295 127.101 119.914 -0.180 0.000 2.409 472 V HA 0.477 4.596 4.120 -0.001 0.000 0.291 472 V C -0.205 175.690 176.094 -0.332 0.000 1.020 472 V CA -0.484 61.636 62.300 -0.301 0.000 0.848 472 V CB 1.806 33.341 31.823 -0.481 0.000 0.990 472 V HN 0.463 nan 8.190 nan 0.000 0.430 473 L N 7.446 128.500 121.223 -0.282 0.000 2.333 473 L HA 0.529 4.868 4.340 -0.001 0.000 0.280 473 L C -2.419 174.310 176.870 -0.235 0.000 1.004 473 L CA -1.810 52.838 54.840 -0.320 0.000 0.820 473 L CB 2.758 44.643 42.059 -0.290 0.000 1.247 473 L HN 0.405 nan 8.230 nan 0.000 0.416 474 P HA 0.190 nan 4.420 nan 0.000 0.280 474 P C -0.591 176.756 177.300 0.079 0.000 1.300 474 P CA -0.139 62.913 63.100 -0.080 0.000 0.785 474 P CB 1.390 33.044 31.700 -0.078 0.000 0.874 475 A N 4.344 127.205 122.820 0.068 0.000 2.287 475 A HA 0.606 4.925 4.320 -0.001 0.000 0.273 475 A C 0.718 178.380 177.584 0.131 0.000 1.091 475 A CA -0.195 51.913 52.037 0.118 0.000 0.817 475 A CB -0.077 19.054 19.000 0.218 0.000 1.069 475 A HN 0.583 nan 8.150 nan 0.000 0.492 476 T N -1.115 113.466 114.554 0.043 0.000 2.881 476 T HA 0.594 4.943 4.350 -0.001 0.000 0.278 476 T C 0.563 175.138 174.700 -0.209 0.000 0.982 476 T CA 0.080 62.132 62.100 -0.081 0.000 0.989 476 T CB 0.899 69.686 68.868 -0.135 0.000 1.058 476 T HN 1.062 nan 8.240 nan 0.000 0.529 477 T N -1.171 113.082 114.554 -0.501 0.000 2.810 477 T HA 0.310 4.659 4.350 -0.001 0.000 0.277 477 T C 1.428 175.773 174.700 -0.592 0.000 0.973 477 T CA -0.552 61.068 62.100 -0.799 0.000 0.949 477 T CB 0.347 68.671 68.868 -0.908 0.000 1.075 477 T HN 0.463 nan 8.240 nan 0.000 0.537 478 S N -0.369 114.846 115.700 -0.808 0.000 2.447 478 S HA -0.005 4.464 4.470 -0.001 0.000 0.233 478 S C 1.406 175.646 174.600 -0.600 0.000 1.006 478 S CA 0.693 58.499 58.200 -0.656 0.000 0.957 478 S CB -0.741 62.099 63.200 -0.601 0.000 0.773 478 S HN 0.739 nan 8.310 nan 0.000 0.507 479 Y N 1.266 121.547 120.300 -0.032 0.000 2.583 479 Y HA 0.107 4.656 4.550 -0.001 0.000 0.293 479 Y C 1.621 177.510 175.900 -0.018 0.000 1.157 479 Y CA 0.263 58.380 58.100 0.028 0.000 1.315 479 Y CB -0.294 38.255 38.460 0.149 0.000 1.021 479 Y HN 0.267 nan 8.280 nan 0.000 0.536 480 E N 0.814 120.970 120.200 -0.073 0.000 2.496 480 E HA 0.169 4.518 4.350 -0.001 0.000 0.200 480 E C 0.083 176.621 176.600 -0.103 0.000 1.016 480 E CA -0.278 56.081 56.400 -0.070 0.000 0.962 480 E CB 0.367 30.002 29.700 -0.108 0.000 1.071 480 E HN 0.400 nan 8.360 nan 0.000 0.457 481 R N -0.973 119.460 120.500 -0.112 0.000 2.747 481 R HA 0.402 4.741 4.340 -0.001 0.000 0.272 481 R C -1.175 175.137 176.300 0.020 0.000 1.032 481 R CA -0.954 55.082 56.100 -0.107 0.000 0.896 481 R CB 0.684 30.752 30.300 -0.387 0.000 1.253 481 R HN -0.184 nan 8.270 nan 0.000 0.461 482 N N 0.252 119.037 118.700 0.142 0.000 2.456 482 N HA 0.388 5.127 4.740 -0.001 0.000 0.296 482 N C -1.304 174.417 175.510 0.351 0.000 1.102 482 N CA -0.184 53.031 53.050 0.274 0.000 0.924 482 N CB 1.539 40.175 38.487 0.248 0.000 1.186 482 N HN 0.519 nan 8.380 nan 0.000 0.492 483 D N 0.308 120.949 120.400 0.401 0.000 2.692 483 D HA 0.492 5.132 4.640 -0.001 0.000 0.303 483 D C -1.324 175.216 176.300 0.400 0.000 1.278 483 D CA -0.432 53.777 54.000 0.348 0.000 0.852 483 D CB 2.401 43.364 40.800 0.272 0.000 1.375 483 D HN 0.367 nan 8.370 nan 0.000 0.453 484 I N 0.701 121.470 120.570 0.331 0.000 2.769 484 I HA 0.593 4.762 4.170 -0.001 0.000 0.298 484 I C -1.695 174.530 176.117 0.180 0.000 1.128 484 I CA -0.368 61.138 61.300 0.342 0.000 1.031 484 I CB 2.028 40.342 38.000 0.522 0.000 1.235 484 I HN 0.333 nan 8.210 nan 0.000 0.423 485 E N 3.321 123.594 120.200 0.121 0.000 2.388 485 E HA 0.405 4.754 4.350 -0.001 0.000 0.280 485 E C -1.523 175.095 176.600 0.029 0.000 1.019 485 E CA -0.457 55.962 56.400 0.032 0.000 0.806 485 E CB 2.009 31.686 29.700 -0.038 0.000 1.246 485 E HN 0.541 nan 8.360 nan 0.000 0.443 486 T N 2.579 117.141 114.554 0.014 0.000 2.913 486 T HA 0.435 4.784 4.350 -0.001 0.000 0.297 486 T C 0.261 174.964 174.700 0.006 0.000 1.029 486 T CA -0.099 62.023 62.100 0.036 0.000 1.104 486 T CB 0.117 69.012 68.868 0.044 0.000 0.964 486 T HN 0.306 nan 8.240 nan 0.000 0.532 487 I N 2.417 122.996 120.570 0.014 0.000 2.306 487 I HA 0.513 4.683 4.170 -0.001 0.000 0.288 487 I C 0.750 176.909 176.117 0.069 0.000 1.036 487 I CA -0.077 61.229 61.300 0.011 0.000 1.221 487 I CB 0.738 38.731 38.000 -0.011 0.000 1.385 487 I HN 0.887 nan 8.210 nan 0.000 0.472 488 G N 4.210 113.048 108.800 0.062 0.000 2.992 488 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.677 488 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.677 488 G C -0.287 174.647 174.900 0.057 0.000 1.191 488 G CA -0.769 44.387 45.100 0.094 0.000 1.178 488 G HN 0.731 nan 8.290 nan 0.000 0.506 489 D N 0.238 120.639 120.400 0.001 0.000 2.149 489 D HA -0.064 4.575 4.640 -0.001 0.000 0.198 489 D C 1.774 177.919 176.300 -0.259 0.000 0.990 489 D CA 2.171 56.075 54.000 -0.160 0.000 0.839 489 D CB 0.045 40.649 40.800 -0.326 0.000 0.948 489 D HN 0.692 nan 8.370 nan 0.000 0.460 490 Y N -0.675 119.678 120.300 0.088 0.000 2.559 490 Y HA 0.093 4.642 4.550 -0.001 0.000 0.279 490 Y C 2.522 178.461 175.900 0.065 0.000 1.117 490 Y CA 0.420 58.559 58.100 0.065 0.000 1.263 490 Y CB -0.143 38.357 38.460 0.067 0.000 1.230 490 Y HN -0.068 nan 8.280 nan 0.000 0.528 491 S N 0.103 115.956 115.700 0.255 0.000 2.402 491 S HA -0.165 4.304 4.470 -0.001 0.000 0.229 491 S C 1.039 175.745 174.600 0.177 0.000 1.021 491 S CA 0.797 59.119 58.200 0.203 0.000 0.974 491 S CB -0.605 62.720 63.200 0.208 0.000 0.800 491 S HN 0.524 nan 8.310 nan 0.000 0.484 492 N N 1.117 119.916 118.700 0.165 0.000 2.705 492 N HA -0.145 4.594 4.740 -0.001 0.000 0.255 492 N C 0.404 176.083 175.510 0.281 0.000 1.008 492 N CA 0.937 54.107 53.050 0.200 0.000 0.742 492 N CB -1.964 36.627 38.487 0.173 0.000 0.906 492 N HN 0.518 nan 8.380 nan 0.000 0.541 493 T N -1.475 113.204 114.554 0.208 0.000 2.788 493 T HA 0.168 4.518 4.350 -0.001 0.000 0.268 493 T C 1.126 175.872 174.700 0.077 0.000 1.044 493 T CA 1.521 63.731 62.100 0.183 0.000 1.139 493 T CB -0.134 68.848 68.868 0.191 0.000 0.867 493 T HN 0.775 nan 8.240 nan 0.000 0.454 494 G N -0.678 108.121 108.800 -0.001 0.000 2.427 494 G HA2 0.546 4.505 3.960 -0.001 0.000 0.306 494 G HA3 0.546 4.505 3.960 -0.001 0.000 0.306 494 G C -2.091 172.725 174.900 -0.139 0.000 1.280 494 G CA -0.973 43.907 45.100 -0.367 0.000 0.837 494 G HN 0.216 nan 8.290 nan 0.000 0.482 495 I N 0.341 120.811 120.570 -0.167 0.000 2.498 495 I HA 0.505 4.674 4.170 -0.001 0.000 0.290 495 I C -0.943 175.239 176.117 0.108 0.000 1.032 495 I CA -0.744 60.583 61.300 0.045 0.000 1.073 495 I CB 2.069 40.139 38.000 0.117 0.000 1.251 495 I HN 0.408 nan 8.210 nan 0.000 0.426 496 L N 5.894 127.148 121.223 0.052 0.000 2.325 496 L HA 0.763 5.103 4.340 -0.001 0.000 0.278 496 L C -0.027 176.828 176.870 -0.024 0.000 1.023 496 L CA -0.174 54.620 54.840 -0.077 0.000 0.811 496 L CB 1.679 43.590 42.059 -0.247 0.000 1.249 496 L HN 0.680 nan 8.230 nan 0.000 0.431 497 A N 5.857 128.451 122.820 -0.375 0.000 2.302 497 A HA 0.461 4.780 4.320 -0.001 0.000 0.295 497 A C -0.120 177.133 177.584 -0.552 0.000 1.235 497 A CA -0.321 51.284 52.037 -0.719 0.000 0.876 497 A CB -0.298 17.603 19.000 -1.831 0.000 1.133 497 A HN 0.788 nan 8.150 nan 0.000 0.533 498 M N 3.848 123.315 119.600 -0.221 0.000 2.974 498 M HA 0.114 4.593 4.480 -0.001 0.000 0.301 498 M C -0.042 176.220 176.300 -0.062 0.000 1.409 498 M CA 0.335 55.548 55.300 -0.145 0.000 1.515 498 M CB -0.112 32.475 32.600 -0.021 0.000 1.163 498 M HN 0.557 nan 8.290 nan 0.000 0.520 499 K N 1.893 122.172 120.400 -0.203 0.000 2.237 499 K HA 0.199 4.519 4.320 -0.001 0.000 0.270 499 K C 0.106 176.721 176.600 0.026 0.000 1.015 499 K CA -0.454 55.812 56.287 -0.036 0.000 0.949 499 K CB 1.009 33.398 32.500 -0.184 0.000 0.976 499 K HN 0.371 nan 8.250 nan 0.000 0.472 500 K N 2.856 123.320 120.400 0.107 0.000 2.451 500 K HA -0.025 4.294 4.320 -0.001 0.000 0.280 500 K C 0.294 176.930 176.600 0.060 0.000 1.020 500 K CA 0.235 56.567 56.287 0.074 0.000 1.008 500 K CB 0.344 32.887 32.500 0.072 0.000 0.917 500 K HN 0.542 nan 8.250 nan 0.000 0.478 501 I N 3.692 124.314 120.570 0.087 0.000 3.039 501 I HA -0.009 4.160 4.170 -0.001 0.000 0.270 501 I C 0.243 176.422 176.117 0.103 0.000 1.150 501 I CA 0.032 61.392 61.300 0.101 0.000 1.448 501 I CB 0.791 38.898 38.000 0.179 0.000 1.197 501 I HN 0.473 nan 8.210 nan 0.000 0.450 502 V N -2.480 117.496 119.914 0.103 0.000 3.130 502 V HA 0.519 4.638 4.120 -0.001 0.000 0.310 502 V C -0.565 175.550 176.094 0.035 0.000 1.158 502 V CA -1.045 61.302 62.300 0.078 0.000 1.029 502 V CB 1.879 33.767 31.823 0.109 0.000 1.057 502 V HN -0.084 nan 8.190 nan 0.000 0.436 503 E N 1.464 121.675 120.200 0.019 0.000 2.404 503 E HA 0.332 4.681 4.350 -0.001 0.000 0.261 503 E C -2.511 174.073 176.600 -0.027 0.000 1.074 503 E CA -1.890 54.508 56.400 -0.004 0.000 0.917 503 E CB 0.209 29.906 29.700 -0.005 0.000 0.965 503 E HN 0.597 nan 8.360 nan 0.000 0.433 504 P HA -0.061 nan 4.420 nan 0.000 0.261 504 P C -0.419 176.849 177.300 -0.053 0.000 1.173 504 P CA 0.277 63.349 63.100 -0.048 0.000 0.760 504 P CB 0.309 31.987 31.700 -0.037 0.000 0.783 505 L N 5.104 126.281 121.223 -0.075 0.000 2.418 505 L HA 0.222 4.561 4.340 -0.001 0.000 0.265 505 L C 0.841 177.695 176.870 -0.027 0.000 1.143 505 L CA 0.348 55.087 54.840 -0.168 0.000 0.809 505 L CB -0.379 41.548 42.059 -0.220 0.000 1.124 505 L HN 0.537 nan 8.230 nan 0.000 0.456 506 Y N 0.274 120.591 120.300 0.030 0.000 2.753 506 Y HA -0.429 4.120 4.550 -0.001 0.000 0.449 506 Y C 1.127 177.094 175.900 0.112 0.000 1.127 506 Y CA 1.378 59.505 58.100 0.045 0.000 2.530 506 Y CB -0.680 37.721 38.460 -0.098 0.000 1.155 506 Y HN 0.598 nan 8.280 nan 0.000 0.645 507 E N 1.296 121.714 120.200 0.363 0.000 2.437 507 E HA 0.469 4.818 4.350 -0.001 0.000 0.195 507 E C 0.038 176.916 176.600 0.463 0.000 1.029 507 E CA 0.196 56.855 56.400 0.433 0.000 0.948 507 E CB 0.244 30.280 29.700 0.561 0.000 1.082 507 E HN 0.459 nan 8.360 nan 0.000 0.456 508 A N 1.672 124.654 122.820 0.270 0.000 2.445 508 A HA 0.310 4.629 4.320 -0.001 0.000 0.242 508 A C 0.194 177.843 177.584 0.107 0.000 1.075 508 A CA 0.211 52.375 52.037 0.212 0.000 0.777 508 A CB 0.400 19.468 19.000 0.113 0.000 1.013 508 A HN 0.172 nan 8.150 nan 0.000 0.493 509 R N 0.548 121.075 120.500 0.045 0.000 2.771 509 R HA 0.487 4.827 4.340 -0.001 0.000 0.274 509 R C -0.235 176.006 176.300 -0.098 0.000 0.987 509 R CA -0.434 55.576 56.100 -0.151 0.000 0.908 509 R CB 2.030 32.022 30.300 -0.513 0.000 1.213 509 R HN 0.902 nan 8.270 nan 0.000 0.468 510 S N 0.014 115.663 115.700 -0.086 0.000 2.579 510 S HA 0.013 4.483 4.470 -0.001 0.000 0.275 510 S C 0.550 175.175 174.600 0.042 0.000 1.345 510 S CA -0.520 57.672 58.200 -0.013 0.000 1.031 510 S CB 0.763 63.981 63.200 0.030 0.000 0.892 510 S HN 0.554 nan 8.310 nan 0.000 0.529 511 D N 0.613 121.096 120.400 0.140 0.000 2.149 511 D HA -0.182 4.457 4.640 -0.001 0.000 0.198 511 D C 1.441 177.884 176.300 0.238 0.000 0.990 511 D CA 1.733 55.834 54.000 0.168 0.000 0.839 511 D CB -0.264 40.751 40.800 0.359 0.000 0.948 511 D HN 0.809 nan 8.370 nan 0.000 0.460 512 Y N 2.308 122.772 120.300 0.273 0.000 2.081 512 Y HA -0.259 4.290 4.550 -0.001 0.000 0.280 512 Y C 1.910 177.916 175.900 0.177 0.000 1.163 512 Y CA 1.919 60.213 58.100 0.324 0.000 1.135 512 Y CB -0.097 38.535 38.460 0.286 0.000 0.970 512 Y HN -0.176 nan 8.280 nan 0.000 0.498 513 D N 0.253 120.816 120.400 0.272 0.000 2.117 513 D HA -0.195 4.444 4.640 -0.001 0.000 0.197 513 D C 2.237 178.431 176.300 -0.178 0.000 0.987 513 D CA 1.884 55.913 54.000 0.048 0.000 0.829 513 D CB -0.369 40.418 40.800 -0.022 0.000 0.961 513 D HN 0.486 nan 8.370 nan 0.000 0.460 514 I N -0.197 120.223 120.570 -0.250 0.000 2.142 514 I HA -0.252 3.917 4.170 -0.001 0.000 0.240 514 I C 2.151 178.085 176.117 -0.307 0.000 1.078 514 I CA 0.995 62.092 61.300 -0.338 0.000 1.343 514 I CB -0.335 37.376 38.000 -0.481 0.000 1.046 514 I HN -0.076 nan 8.210 nan 0.000 0.405 515 F N 0.705 120.513 119.950 -0.237 0.000 2.234 515 F HA -0.173 4.354 4.527 -0.001 0.000 0.299 515 F C 2.623 177.780 175.800 -1.072 0.000 1.087 515 F CA 0.767 58.444 58.000 -0.538 0.000 1.340 515 F CB -0.449 38.233 39.000 -0.531 0.000 1.031 515 F HN 0.021 nan 8.300 nan 0.000 0.500 516 A N 0.284 122.538 122.820 -0.943 0.000 1.902 516 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 516 A C 2.373 179.756 177.584 -0.335 0.000 1.181 516 A CA 1.736 53.322 52.037 -0.751 0.000 0.623 516 A CB -1.153 17.641 19.000 -0.344 0.000 0.818 516 A HN 0.320 nan 8.150 nan 0.000 0.443 517 A N -0.698 121.985 122.820 -0.228 0.000 1.930 517 A HA 0.045 4.365 4.320 -0.001 0.000 0.217 517 A C 2.223 179.762 177.584 -0.075 0.000 1.175 517 A CA 1.682 53.650 52.037 -0.116 0.000 0.627 517 A CB -0.819 18.121 19.000 -0.099 0.000 0.815 517 A HN 0.364 nan 8.150 nan 0.000 0.443 518 V N -0.144 119.723 119.914 -0.079 0.000 2.307 518 V HA -0.225 3.895 4.120 -0.001 0.000 0.245 518 V C 3.061 179.141 176.094 -0.024 0.000 1.045 518 V CA 1.863 64.166 62.300 0.005 0.000 1.024 518 V CB -1.186 30.697 31.823 0.100 0.000 0.651 518 V HN 0.603 nan 8.190 nan 0.000 0.449 519 A N 0.011 122.757 122.820 -0.124 0.000 1.940 519 A HA -0.279 4.041 4.320 -0.001 0.000 0.219 519 A C 2.180 179.754 177.584 -0.017 0.000 1.176 519 A CA 2.149 54.139 52.037 -0.078 0.000 0.631 519 A CB -0.518 18.390 19.000 -0.153 0.000 0.814 519 A HN 0.583 nan 8.150 nan 0.000 0.446 520 E N 0.192 120.372 120.200 -0.034 0.000 2.077 520 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 520 E C 2.089 178.699 176.600 0.016 0.000 0.989 520 E CA 1.586 57.987 56.400 0.002 0.000 0.800 520 E CB -0.256 29.441 29.700 -0.005 0.000 0.746 520 E HN 0.591 nan 8.360 nan 0.000 0.452 521 R N -0.439 120.071 120.500 0.016 0.000 2.193 521 R HA 0.015 4.354 4.340 -0.001 0.000 0.229 521 R C 1.883 178.206 176.300 0.038 0.000 1.110 521 R CA 1.045 57.164 56.100 0.032 0.000 0.988 521 R CB -0.169 30.156 30.300 0.042 0.000 0.871 521 R HN 0.264 nan 8.270 nan 0.000 0.458 522 L N -0.509 120.737 121.223 0.039 0.000 2.591 522 L HA 0.199 4.538 4.340 -0.001 0.000 0.228 522 L C 0.934 177.829 176.870 0.042 0.000 1.133 522 L CA 0.270 55.137 54.840 0.045 0.000 0.880 522 L CB 0.253 42.342 42.059 0.051 0.000 1.033 522 L HN 0.425 nan 8.230 nan 0.000 0.450 523 G N 0.494 109.317 108.800 0.038 0.000 2.136 523 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.242 523 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.242 523 G C 0.527 175.453 174.900 0.045 0.000 0.989 523 G CA -0.060 45.063 45.100 0.037 0.000 0.682 523 G HN 0.256 nan 8.290 nan 0.000 0.522 524 K N 0.010 120.442 120.400 0.053 0.000 2.706 524 K HA 0.330 4.649 4.320 -0.001 0.000 0.203 524 K C 1.965 178.625 176.600 0.101 0.000 1.102 524 K CA 0.333 56.664 56.287 0.074 0.000 1.058 524 K CB 0.442 32.990 32.500 0.082 0.000 0.779 524 K HN 0.323 nan 8.250 nan 0.000 0.483 525 G N 1.372 110.220 108.800 0.079 0.000 2.459 525 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.217 525 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.217 525 G C 1.466 176.454 174.900 0.147 0.000 1.183 525 G CA 1.271 46.429 45.100 0.096 0.000 0.776 525 G HN 0.355 nan 8.290 nan 0.000 0.552 526 A N 0.667 123.551 122.820 0.108 0.000 1.930 526 A HA 0.044 4.363 4.320 -0.001 0.000 0.217 526 A C 2.220 179.872 177.584 0.113 0.000 1.175 526 A CA 2.105 54.201 52.037 0.099 0.000 0.627 526 A CB -0.309 18.726 19.000 0.058 0.000 0.815 526 A HN 0.365 nan 8.150 nan 0.000 0.443 527 E N -1.000 119.268 120.200 0.113 0.000 2.072 527 E HA -0.108 4.241 4.350 -0.001 0.000 0.191 527 E C 1.604 178.288 176.600 0.140 0.000 0.985 527 E CA 1.205 57.668 56.400 0.106 0.000 0.801 527 E CB -0.404 29.349 29.700 0.089 0.000 0.750 527 E HN 0.682 nan 8.360 nan 0.000 0.452 528 F N 1.117 121.098 119.950 0.052 0.000 2.102 528 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 528 F C 2.357 178.239 175.800 0.137 0.000 1.105 528 F CA 1.936 59.957 58.000 0.035 0.000 1.239 528 F CB -0.421 38.556 39.000 -0.038 0.000 0.991 528 F HN 0.092 nan 8.300 nan 0.000 0.474 529 T N -2.923 111.842 114.554 0.352 0.000 3.023 529 T HA -0.016 4.333 4.350 -0.001 0.000 0.266 529 T C 1.107 176.053 174.700 0.410 0.000 1.093 529 T CA 0.859 63.243 62.100 0.474 0.000 1.129 529 T CB -0.121 68.987 68.868 0.400 0.000 0.899 529 T HN 0.292 nan 8.240 nan 0.000 0.491 530 E N 0.827 121.153 120.200 0.209 0.000 2.791 530 E HA -0.179 4.170 4.350 -0.001 0.000 0.271 530 E C 1.077 177.616 176.600 -0.101 0.000 1.044 530 E CA 1.143 57.565 56.400 0.036 0.000 0.814 530 E CB -1.991 27.727 29.700 0.030 0.000 1.400 530 E HN 1.165 nan 8.360 nan 0.000 0.423 531 G N -1.148 107.633 108.800 -0.032 0.000 2.184 531 G HA2 -0.396 3.563 3.960 -0.001 0.000 0.264 531 G HA3 -0.396 3.563 3.960 -0.001 0.000 0.264 531 G C 0.376 175.186 174.900 -0.149 0.000 0.975 531 G CA 0.855 45.910 45.100 -0.075 0.000 0.642 531 G HN 0.467 nan 8.290 nan 0.000 0.536 532 K N 0.513 120.771 120.400 -0.238 0.000 2.185 532 K HA 0.567 4.886 4.320 -0.001 0.000 0.240 532 K C -0.083 176.452 176.600 -0.108 0.000 0.983 532 K CA -0.348 55.714 56.287 -0.375 0.000 0.873 532 K CB 1.150 33.010 32.500 -1.067 0.000 1.118 532 K HN 0.289 nan 8.250 nan 0.000 0.441 533 D N -0.842 119.478 120.400 -0.133 0.000 2.616 533 D HA 0.010 4.649 4.640 -0.001 0.000 0.260 533 D C 0.828 177.104 176.300 -0.040 0.000 1.158 533 D CA -0.520 53.473 54.000 -0.012 0.000 1.085 533 D CB 0.291 41.072 40.800 -0.032 0.000 1.222 533 D HN 0.630 nan 8.370 nan 0.000 0.626 534 E N -0.955 119.184 120.200 -0.102 0.000 2.049 534 E HA -0.224 4.126 4.350 -0.001 0.000 0.198 534 E C 1.814 178.325 176.600 -0.149 0.000 1.007 534 E CA 1.469 57.777 56.400 -0.153 0.000 0.809 534 E CB -0.033 29.607 29.700 -0.099 0.000 0.749 534 E HN 0.333 nan 8.360 nan 0.000 0.450 535 M N -0.148 119.344 119.600 -0.180 0.000 2.419 535 M HA 0.029 4.508 4.480 -0.001 0.000 0.264 535 M C 2.312 178.411 176.300 -0.334 0.000 1.082 535 M CA 1.154 56.301 55.300 -0.255 0.000 1.119 535 M CB -0.726 31.730 32.600 -0.240 0.000 1.398 535 M HN 0.271 nan 8.290 nan 0.000 0.453 536 G N -1.135 107.482 108.800 -0.306 0.000 2.408 536 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.217 536 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.217 536 G C 1.383 175.976 174.900 -0.511 0.000 1.150 536 G CA 0.183 45.040 45.100 -0.405 0.000 0.776 536 G HN 0.437 nan 8.290 nan 0.000 0.542 537 W N 0.619 121.628 121.300 -0.485 0.000 2.379 537 W HA 0.109 4.768 4.660 -0.001 0.000 0.307 537 W C 2.553 178.358 176.519 -1.190 0.000 1.200 537 W CA 0.159 57.055 57.345 -0.748 0.000 1.297 537 W CB -0.124 29.009 29.460 -0.545 0.000 1.140 537 W HN 0.091 nan 8.180 nan 0.000 0.507 538 I N 0.406 120.688 120.570 -0.480 0.000 2.179 538 I HA -0.346 3.824 4.170 -0.001 0.000 0.242 538 I C 2.442 178.316 176.117 -0.404 0.000 1.088 538 I CA 1.576 62.695 61.300 -0.302 0.000 1.357 538 I CB -0.629 37.348 38.000 -0.039 0.000 1.051 538 I HN -0.062 nan 8.210 nan 0.000 0.409 539 K N 1.040 120.984 120.400 -0.760 0.000 2.103 539 K HA -0.211 4.108 4.320 -0.001 0.000 0.207 539 K C 2.298 178.613 176.600 -0.474 0.000 1.048 539 K CA 1.880 57.548 56.287 -1.031 0.000 0.930 539 K CB -0.086 31.721 32.500 -1.155 0.000 0.716 539 K HN 0.397 nan 8.250 nan 0.000 0.444 540 S N -0.112 115.300 115.700 -0.480 0.000 2.399 540 S HA -0.143 4.326 4.470 -0.001 0.000 0.231 540 S C 1.865 176.409 174.600 -0.094 0.000 1.022 540 S CA 0.994 59.005 58.200 -0.314 0.000 0.983 540 S CB -0.750 62.232 63.200 -0.363 0.000 0.803 540 S HN 0.413 nan 8.310 nan 0.000 0.480 541 F N -0.147 119.811 119.950 0.013 0.000 2.187 541 F HA 0.085 4.611 4.527 -0.001 0.000 0.295 541 F C 2.570 178.386 175.800 0.027 0.000 1.091 541 F CA 0.697 58.719 58.000 0.036 0.000 1.308 541 F CB -0.584 38.460 39.000 0.073 0.000 1.030 541 F HN 0.177 nan 8.300 nan 0.000 0.487 542 Y N 1.827 122.199 120.300 0.121 0.000 2.145 542 Y HA -0.263 4.286 4.550 -0.001 0.000 0.286 542 Y C 2.045 177.958 175.900 0.021 0.000 1.145 542 Y CA 1.772 59.909 58.100 0.062 0.000 1.148 542 Y CB -0.669 37.893 38.460 0.170 0.000 0.981 542 Y HN -0.043 nan 8.280 nan 0.000 0.507 543 D N 0.041 120.434 120.400 -0.011 0.000 2.144 543 D HA -0.168 4.471 4.640 -0.001 0.000 0.199 543 D C 1.703 177.924 176.300 -0.133 0.000 0.984 543 D CA 1.564 55.511 54.000 -0.087 0.000 0.834 543 D CB -0.370 40.412 40.800 -0.030 0.000 0.955 543 D HN 0.441 nan 8.370 nan 0.000 0.465 544 D N 0.335 120.689 120.400 -0.077 0.000 2.117 544 D HA -0.072 4.567 4.640 -0.001 0.000 0.197 544 D C 2.035 178.270 176.300 -0.110 0.000 0.987 544 D CA 1.273 55.238 54.000 -0.058 0.000 0.829 544 D CB -0.285 40.520 40.800 0.008 0.000 0.961 544 D HN 0.140 nan 8.370 nan 0.000 0.460 545 A N 0.890 123.618 122.820 -0.153 0.000 1.898 545 A HA -0.021 4.298 4.320 -0.001 0.000 0.216 545 A C 2.289 179.715 177.584 -0.265 0.000 1.181 545 A CA 2.114 54.036 52.037 -0.193 0.000 0.620 545 A CB -0.689 18.197 19.000 -0.189 0.000 0.819 545 A HN 0.228 nan 8.150 nan 0.000 0.442 546 A N -0.251 122.326 122.820 -0.404 0.000 1.933 546 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 546 A C 2.126 179.612 177.584 -0.164 0.000 1.175 546 A CA 1.947 53.789 52.037 -0.326 0.000 0.628 546 A CB -0.429 18.320 19.000 -0.420 0.000 0.814 546 A HN 0.556 nan 8.150 nan 0.000 0.444 547 K N -0.523 119.796 120.400 -0.135 0.000 2.057 547 K HA -0.212 4.107 4.320 -0.001 0.000 0.207 547 K C 2.312 178.863 176.600 -0.083 0.000 1.049 547 K CA 1.647 57.884 56.287 -0.085 0.000 0.931 547 K CB -0.187 32.272 32.500 -0.069 0.000 0.714 547 K HN 0.643 nan 8.250 nan 0.000 0.440 548 Q N -0.354 119.385 119.800 -0.102 0.000 2.079 548 Q HA -0.108 4.231 4.340 -0.001 0.000 0.200 548 Q C 1.916 177.847 176.000 -0.116 0.000 0.974 548 Q CA 1.668 57.411 55.803 -0.101 0.000 0.840 548 Q CB -0.185 28.489 28.738 -0.106 0.000 0.898 548 Q HN 0.464 nan 8.270 nan 0.000 0.430 549 G N 1.350 110.065 108.800 -0.142 0.000 2.421 549 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.216 549 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.216 549 G C 1.423 176.272 174.900 -0.085 0.000 1.171 549 G CA 0.926 45.938 45.100 -0.148 0.000 0.775 549 G HN 0.348 nan 8.290 nan 0.000 0.543 550 K N 0.614 120.977 120.400 -0.062 0.000 2.103 550 K HA 0.005 4.325 4.320 -0.001 0.000 0.207 550 K C 2.638 179.217 176.600 -0.034 0.000 1.048 550 K CA 1.294 57.561 56.287 -0.033 0.000 0.930 550 K CB -0.295 32.191 32.500 -0.023 0.000 0.716 550 K HN 0.223 nan 8.250 nan 0.000 0.444 551 A N 0.227 123.019 122.820 -0.046 0.000 2.119 551 A HA 0.051 4.371 4.320 -0.001 0.000 0.217 551 A C 1.933 179.492 177.584 -0.042 0.000 1.153 551 A CA 1.385 53.398 52.037 -0.039 0.000 0.692 551 A CB -0.275 18.700 19.000 -0.042 0.000 0.799 551 A HN 0.437 nan 8.150 nan 0.000 0.458 552 A N -2.086 120.700 122.820 -0.055 0.000 2.267 552 A HA 0.456 4.775 4.320 -0.001 0.000 0.213 552 A C 1.607 179.165 177.584 -0.043 0.000 1.192 552 A CA 1.033 53.035 52.037 -0.057 0.000 0.851 552 A CB -0.475 18.471 19.000 -0.090 0.000 0.881 552 A HN 1.750 nan 8.150 nan 0.000 0.494 553 G N -1.401 107.380 108.800 -0.031 0.000 2.132 553 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.234 553 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.234 553 G C 0.017 174.914 174.900 -0.006 0.000 0.989 553 G CA 0.109 45.201 45.100 -0.012 0.000 0.676 553 G HN 0.865 nan 8.290 nan 0.000 0.522 554 V N 1.087 120.987 119.914 -0.023 0.000 2.239 554 V HA 0.744 4.864 4.120 -0.001 0.000 0.267 554 V C 0.756 176.869 176.094 0.032 0.000 1.056 554 V CA 0.289 62.589 62.300 -0.002 0.000 0.830 554 V CB 0.561 32.333 31.823 -0.085 0.000 1.090 554 V HN 0.939 nan 8.190 nan 0.000 0.459 555 Q N 4.864 124.700 119.800 0.059 0.000 2.313 555 Q HA 0.694 5.033 4.340 -0.001 0.000 0.266 555 Q C -0.447 175.625 176.000 0.120 0.000 0.989 555 Q CA 0.244 56.089 55.803 0.071 0.000 0.890 555 Q CB 0.851 nan 28.738 nan 0.000 1.200 555 Q HN 0.780 nan 8.270 nan 0.000 0.396 556 M N 2.655 122.330 119.600 0.125 0.000 2.591 556 M HA 0.597 5.076 4.480 -0.001 0.000 0.306 556 M C -2.069 174.358 176.300 0.212 0.000 1.190 556 M CA -1.848 53.569 55.300 0.195 0.000 0.889 556 M CB 2.369 35.079 32.600 0.184 0.000 1.728 556 M HN 0.651 nan 8.290 nan 0.000 0.458 557 P HA 0.360 nan 4.420 nan 0.000 0.275 557 P C -1.034 176.467 177.300 0.335 0.000 1.266 557 P CA -0.545 62.699 63.100 0.241 0.000 0.793 557 P CB 0.191 32.013 31.700 0.204 0.000 1.074 558 A N -0.082 122.889 122.820 0.252 0.000 2.425 558 A HA 0.096 4.416 4.320 -0.001 0.000 0.242 558 A C 1.055 178.813 177.584 0.289 0.000 1.077 558 A CA -0.386 51.821 52.037 0.282 0.000 0.781 558 A CB -0.642 18.466 19.000 0.179 0.000 1.020 558 A HN 0.602 nan 8.150 nan 0.000 0.494 559 F N 1.110 121.170 119.950 0.183 0.000 2.087 559 F HA -0.261 4.265 4.527 -0.001 0.000 0.299 559 F C 1.740 177.586 175.800 0.077 0.000 1.100 559 F CA 2.808 60.816 58.000 0.014 0.000 1.226 559 F CB -0.249 38.799 39.000 0.080 0.000 0.983 559 F HN 0.803 nan 8.300 nan 0.000 0.479 560 D N -0.308 120.084 120.400 -0.012 0.000 2.178 560 D HA -0.112 4.527 4.640 -0.001 0.000 0.202 560 D C 2.145 178.378 176.300 -0.111 0.000 0.974 560 D CA 1.204 55.127 54.000 -0.127 0.000 0.841 560 D CB -0.219 40.579 40.800 -0.003 0.000 0.953 560 D HN 0.326 nan 8.370 nan 0.000 0.478 561 A N -0.345 122.453 122.820 -0.037 0.000 1.929 561 A HA -0.062 4.258 4.320 -0.001 0.000 0.216 561 A C 2.040 179.575 177.584 -0.081 0.000 1.176 561 A CA 1.025 53.042 52.037 -0.034 0.000 0.628 561 A CB -1.081 17.938 19.000 0.030 0.000 0.816 561 A HN 0.452 nan 8.150 nan 0.000 0.444 562 F N -0.522 119.294 119.950 -0.223 0.000 2.069 562 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 562 F C 2.176 177.764 175.800 -0.354 0.000 1.113 562 F CA 1.883 59.701 58.000 -0.304 0.000 1.214 562 F CB -0.510 38.156 39.000 -0.556 0.000 0.978 562 F HN 0.491 nan 8.300 nan 0.000 0.474 563 W N 1.442 122.143 121.300 -0.999 0.000 2.338 563 W HA -0.227 4.432 4.660 -0.001 0.000 0.304 563 W C 2.376 178.515 176.519 -0.634 0.000 1.212 563 W CA 2.434 59.191 57.345 -0.981 0.000 1.264 563 W CB -0.759 28.165 29.460 -0.894 0.000 1.142 563 W HN 0.245 nan 8.180 nan 0.000 0.512 564 A N 0.433 123.075 122.820 -0.297 0.000 1.902 564 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 564 A C 1.841 179.231 177.584 -0.325 0.000 1.181 564 A CA 1.963 53.855 52.037 -0.241 0.000 0.623 564 A CB -0.972 17.951 19.000 -0.128 0.000 0.818 564 A HN 0.430 nan 8.150 nan 0.000 0.443 565 E N -2.106 117.890 120.200 -0.340 0.000 2.106 565 E HA 0.113 4.462 4.350 -0.001 0.000 0.192 565 E C 1.450 177.781 176.600 -0.449 0.000 0.984 565 E CA 0.664 56.884 56.400 -0.301 0.000 0.806 565 E CB -0.164 29.411 29.700 -0.208 0.000 0.750 565 E HN 0.786 nan 8.360 nan 0.000 0.458 566 G N 0.969 109.322 108.800 -0.745 0.000 2.194 566 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.236 566 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.236 566 G C 0.115 174.545 174.900 -0.784 0.000 0.987 566 G CA 0.266 44.825 45.100 -0.901 0.000 0.635 566 G HN 0.314 nan 8.290 nan 0.000 0.520 567 I N -0.264 119.979 120.570 -0.546 0.000 2.882 567 I HA 0.549 4.718 4.170 -0.001 0.000 0.298 567 I C -1.329 174.818 176.117 0.050 0.000 1.462 567 I CA -1.203 59.979 61.300 -0.196 0.000 1.000 567 I CB 2.166 40.020 38.000 -0.244 0.000 1.340 567 I HN 0.226 nan 8.210 nan 0.000 0.462 568 V N 3.341 123.330 119.914 0.125 0.000 2.638 568 V HA 0.607 4.726 4.120 -0.001 0.000 0.306 568 V C -0.745 175.154 176.094 -0.325 0.000 1.052 568 V CA -0.639 61.665 62.300 0.006 0.000 0.885 568 V CB 1.563 33.369 31.823 -0.028 0.000 0.999 568 V HN 0.701 nan 8.190 nan 0.000 0.424 569 E N 2.895 122.928 120.200 -0.279 0.000 2.227 569 E HA 0.741 5.090 4.350 -0.001 0.000 0.268 569 E C -1.655 174.763 176.600 -0.302 0.000 0.907 569 E CA -0.566 55.642 56.400 -0.320 0.000 0.786 569 E CB 2.428 32.106 29.700 -0.035 0.000 1.191 569 E HN 0.563 nan 8.360 nan 0.000 0.411 570 F N 1.475 121.483 119.950 0.097 0.000 2.523 570 F HA 0.458 4.985 4.527 -0.001 0.000 0.329 570 F C -1.990 173.853 175.800 0.072 0.000 1.061 570 F CA -2.676 55.369 58.000 0.074 0.000 0.967 570 F CB 0.575 39.610 39.000 0.058 0.000 1.218 570 F HN 0.231 nan 8.300 nan 0.000 0.480 571 P HA 0.320 nan 4.420 nan 0.000 0.286 571 P C -0.974 176.412 177.300 0.143 0.000 1.261 571 P CA -0.331 62.868 63.100 0.166 0.000 0.821 571 P CB 1.752 33.530 31.700 0.129 0.000 1.013 572 V N 2.772 122.757 119.914 0.119 0.000 2.498 572 V HA 0.170 4.290 4.120 -0.001 0.000 0.279 572 V C 1.639 177.783 176.094 0.083 0.000 1.048 572 V CA 0.466 62.828 62.300 0.104 0.000 0.967 572 V CB 0.675 32.562 31.823 0.106 0.000 0.988 572 V HN 0.859 nan 8.190 nan 0.000 0.473 573 T N 0.584 115.181 114.554 0.071 0.000 3.480 573 T HA 0.071 4.421 4.350 -0.001 0.000 0.229 573 T C 0.855 175.593 174.700 0.064 0.000 0.944 573 T CA 0.646 62.782 62.100 0.060 0.000 1.388 573 T CB -0.078 68.817 68.868 0.046 0.000 1.180 573 T HN 0.633 nan 8.240 nan 0.000 0.414 574 D N 0.824 121.263 120.400 0.064 0.000 2.440 574 D HA 0.292 4.931 4.640 -0.001 0.000 0.216 574 D C 1.847 178.206 176.300 0.098 0.000 1.150 574 D CA 0.093 54.139 54.000 0.076 0.000 0.832 574 D CB -0.578 40.265 40.800 0.071 0.000 0.992 574 D HN 0.558 nan 8.370 nan 0.000 0.502 575 G N 0.788 109.644 108.800 0.093 0.000 2.448 575 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.219 575 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.219 575 G C 1.488 176.476 174.900 0.147 0.000 1.127 575 G CA 0.696 45.859 45.100 0.106 0.000 0.766 575 G HN 0.449 nan 8.290 nan 0.000 0.552 576 A N 0.419 123.320 122.820 0.136 0.000 2.206 576 A HA 0.138 4.458 4.320 -0.001 0.000 0.211 576 A C 1.594 179.261 177.584 0.138 0.000 1.158 576 A CA 1.300 53.423 52.037 0.144 0.000 0.761 576 A CB 0.030 19.106 19.000 0.128 0.000 0.801 576 A HN 0.240 nan 8.150 nan 0.000 0.473 577 D N -1.393 119.088 120.400 0.135 0.000 2.349 577 D HA 0.110 4.749 4.640 -0.001 0.000 0.214 577 D C 0.006 176.378 176.300 0.121 0.000 1.063 577 D CA -0.240 53.825 54.000 0.108 0.000 0.847 577 D CB -0.128 40.724 40.800 0.086 0.000 0.933 577 D HN 0.402 nan 8.370 nan 0.000 0.513 578 F N 2.106 122.071 119.950 0.026 0.000 2.578 578 F HA 0.080 4.606 4.527 -0.001 0.000 0.381 578 F C -0.123 175.673 175.800 -0.007 0.000 1.069 578 F CA -0.137 57.866 58.000 0.005 0.000 1.231 578 F CB 0.564 39.561 39.000 -0.004 0.000 1.086 578 F HN -0.352 nan 8.300 nan 0.000 0.564 579 V N 7.827 127.204 119.914 -0.896 0.000 2.376 579 V HA 0.337 4.456 4.120 -0.001 0.000 0.287 579 V C 0.097 175.526 176.094 -1.108 0.000 1.015 579 V CA -1.008 60.859 62.300 -0.722 0.000 0.834 579 V CB 1.311 32.934 31.823 -0.333 0.000 1.001 579 V HN 0.723 nan 8.190 nan 0.000 0.428 580 R N 3.113 123.088 120.500 -0.875 0.000 2.537 580 R HA 0.206 4.545 4.340 -0.001 0.000 0.280 580 R C 0.090 176.258 176.300 -0.220 0.000 1.058 580 R CA 0.393 56.162 56.100 -0.551 0.000 1.057 580 R CB 0.023 30.186 30.300 -0.229 0.000 0.973 580 R HN 0.733 nan 8.270 nan 0.000 0.438 581 Y N 0.342 120.571 120.300 -0.118 0.000 4.881 581 Y HA -0.368 4.182 4.550 -0.001 0.000 0.241 581 Y C 1.310 177.238 175.900 0.047 0.000 0.985 581 Y CA 0.749 58.869 58.100 0.034 0.000 1.976 581 Y CB -1.867 36.645 38.460 0.087 0.000 1.528 581 Y HN 0.794 nan 8.280 nan 0.000 0.581 582 A N 0.025 122.849 122.820 0.007 0.000 1.930 582 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 582 A C 2.258 179.884 177.584 0.070 0.000 1.175 582 A CA 2.063 54.103 52.037 0.005 0.000 0.627 582 A CB -0.762 18.185 19.000 -0.088 0.000 0.815 582 A HN 0.711 nan 8.150 nan 0.000 0.443 583 S N -1.191 114.564 115.700 0.091 0.000 2.387 583 S HA -0.141 4.328 4.470 -0.001 0.000 0.226 583 S C 1.854 176.577 174.600 0.205 0.000 1.026 583 S CA 1.349 59.622 58.200 0.122 0.000 0.972 583 S CB -0.639 62.624 63.200 0.105 0.000 0.814 583 S HN 0.573 nan 8.310 nan 0.000 0.477 584 F N 2.859 122.890 119.950 0.136 0.000 2.102 584 F HA 0.096 4.622 4.527 -0.002 0.000 0.298 584 F C 2.598 178.550 175.800 0.253 0.000 1.105 584 F CA 1.677 59.802 58.000 0.209 0.000 1.239 584 F CB -0.594 38.594 39.000 0.312 0.000 0.991 584 F HN 0.150 nan 8.300 nan 0.000 0.474 585 R N 0.479 121.021 120.500 0.070 0.000 2.073 585 R HA -0.184 4.155 4.340 -0.001 0.000 0.234 585 R C 2.208 178.530 176.300 0.037 0.000 1.134 585 R CA 2.121 58.156 56.100 -0.109 0.000 0.952 585 R CB -0.442 29.816 30.300 -0.069 0.000 0.850 585 R HN 0.422 nan 8.270 nan 0.000 0.433 586 E N -0.632 119.598 120.200 0.050 0.000 2.153 586 E HA -0.138 4.211 4.350 -0.001 0.000 0.194 586 E C -0.086 176.543 176.600 0.047 0.000 0.988 586 E CA 0.817 57.247 56.400 0.050 0.000 0.811 586 E CB 0.172 29.898 29.700 0.044 0.000 0.746 586 E HN 0.201 nan 8.360 nan 0.000 0.466 587 D N -1.751 118.675 120.400 0.044 0.000 2.312 587 D HA 0.036 4.675 4.640 -0.001 0.000 0.229 587 D C -2.326 173.980 176.300 0.011 0.000 1.337 587 D CA -1.286 52.721 54.000 0.012 0.000 0.964 587 D CB 1.191 42.004 40.800 0.022 0.000 1.456 587 D HN -0.189 nan 8.370 nan 0.000 0.547 588 P HA 0.012 nan 4.420 nan 0.000 0.225 588 P C 1.628 178.959 177.300 0.052 0.000 1.156 588 P CA 0.227 63.292 63.100 -0.058 0.000 0.787 588 P CB 0.735 32.196 31.700 -0.398 0.000 0.802 589 L N -1.504 119.713 121.223 -0.010 0.000 2.209 589 L HA -0.011 4.328 4.340 -0.001 0.000 0.207 589 L C 2.460 179.352 176.870 0.038 0.000 1.094 589 L CA 0.601 55.447 54.840 0.011 0.000 0.790 589 L CB -0.832 41.215 42.059 -0.020 0.000 0.932 589 L HN -0.014 nan 8.230 nan 0.000 0.447 590 L N -0.110 121.138 121.223 0.041 0.000 2.131 590 L HA 0.055 4.395 4.340 -0.001 0.000 0.206 590 L C 0.768 177.684 176.870 0.077 0.000 1.087 590 L CA 1.547 56.416 54.840 0.048 0.000 0.767 590 L CB -0.084 41.999 42.059 0.041 0.000 0.917 590 L HN 0.237 nan 8.230 nan 0.000 0.441 591 N N 0.802 119.574 118.700 0.120 0.000 2.813 591 N HA 0.301 5.041 4.740 -0.001 0.000 0.282 591 N C -2.626 173.044 175.510 0.267 0.000 1.748 591 N CA -1.102 52.047 53.050 0.165 0.000 0.860 591 N CB 0.569 39.166 38.487 0.183 0.000 1.204 591 N HN 0.240 nan 8.380 nan 0.000 0.490 592 P HA 0.129 nan 4.420 nan 0.000 0.272 592 P C 0.340 177.723 177.300 0.138 0.000 1.240 592 P CA -0.267 62.979 63.100 0.244 0.000 0.791 592 P CB 1.536 33.320 31.700 0.140 0.000 0.978 593 L N 0.358 121.603 121.223 0.037 0.000 2.466 593 L HA 0.261 4.601 4.340 -0.001 0.000 0.257 593 L C 2.126 178.983 176.870 -0.021 0.000 1.189 593 L CA -0.215 54.576 54.840 -0.081 0.000 0.813 593 L CB -0.088 41.829 42.059 -0.236 0.000 1.118 593 L HN 0.510 nan 8.230 nan 0.000 0.471 594 G N -0.293 108.489 108.800 -0.030 0.000 3.094 594 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.208 594 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.208 594 G C 0.637 175.516 174.900 -0.034 0.000 1.189 594 G CA 0.127 45.210 45.100 -0.028 0.000 0.856 594 G HN 0.678 nan 8.290 nan 0.000 0.510 595 T N -2.695 111.843 114.554 -0.027 0.000 2.847 595 T HA 0.406 4.755 4.350 -0.001 0.000 0.279 595 T C -1.289 173.412 174.700 0.003 0.000 0.984 595 T CA -1.494 60.595 62.100 -0.018 0.000 0.988 595 T CB 1.833 70.698 68.868 -0.005 0.000 1.040 595 T HN -0.168 nan 8.240 nan 0.000 0.528 596 P HA -0.111 nan 4.420 nan 0.000 0.216 596 P C 1.743 179.063 177.300 0.033 0.000 1.153 596 P CA 1.580 64.693 63.100 0.022 0.000 0.858 596 P CB -0.282 31.435 31.700 0.029 0.000 0.789 597 T N -5.649 108.933 114.554 0.047 0.000 3.067 597 T HA 0.235 4.585 4.350 -0.001 0.000 0.261 597 T C 1.659 176.396 174.700 0.062 0.000 1.110 597 T CA 0.727 62.860 62.100 0.056 0.000 1.113 597 T CB -0.850 68.062 68.868 0.073 0.000 0.917 597 T HN 0.258 nan 8.240 nan 0.000 0.499 598 G N 0.942 109.777 108.800 0.058 0.000 2.179 598 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.260 598 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.260 598 G C -0.087 174.895 174.900 0.136 0.000 0.977 598 G CA 0.389 45.538 45.100 0.082 0.000 0.641 598 G HN 0.634 nan 8.290 nan 0.000 0.533 599 L N -0.327 120.969 121.223 0.122 0.000 2.256 599 L HA 0.668 5.008 4.340 -0.001 0.000 0.261 599 L C 0.776 177.706 176.870 0.100 0.000 1.022 599 L CA -1.605 53.347 54.840 0.188 0.000 0.828 599 L CB 1.418 43.585 42.059 0.179 0.000 1.374 599 L HN -0.033 nan 8.230 nan 0.000 0.436 600 I N 1.135 121.798 120.570 0.155 0.000 2.505 600 I HA 0.016 4.185 4.170 -0.001 0.000 0.287 600 I C 0.116 176.323 176.117 0.150 0.000 1.104 600 I CA 0.231 61.598 61.300 0.112 0.000 1.387 600 I CB 0.148 38.251 38.000 0.171 0.000 1.404 600 I HN 0.469 nan 8.210 nan 0.000 0.528 601 E N 7.134 127.411 120.200 0.128 0.000 1.941 601 E HA 0.168 4.518 4.350 -0.001 0.000 0.275 601 E C 0.738 177.534 176.600 0.327 0.000 1.113 601 E CA -0.122 56.392 56.400 0.190 0.000 0.878 601 E CB 0.996 30.777 29.700 0.136 0.000 1.070 601 E HN 0.643 nan 8.360 nan 0.000 0.399 602 I N 2.011 122.778 120.570 0.328 0.000 2.617 602 I HA -0.130 4.039 4.170 -0.001 0.000 0.256 602 I C 0.464 176.786 176.117 0.342 0.000 1.167 602 I CA 0.727 62.213 61.300 0.310 0.000 1.469 602 I CB 0.225 38.317 38.000 0.154 0.000 1.098 602 I HN 0.431 nan 8.210 nan 0.000 0.436 603 Y N 0.330 120.788 120.300 0.262 0.000 2.364 603 Y HA 0.428 4.977 4.550 -0.001 0.000 0.340 603 Y C -0.091 175.966 175.900 0.262 0.000 0.975 603 Y CA -0.875 57.381 58.100 0.260 0.000 1.089 603 Y CB 1.616 40.182 38.460 0.177 0.000 1.192 603 Y HN -0.242 nan 8.280 nan 0.000 0.454 604 S N 5.658 121.353 115.700 -0.009 0.000 2.566 604 S HA 0.314 4.783 4.470 -0.001 0.000 0.324 604 S C 0.444 175.009 174.600 -0.058 0.000 1.081 604 S CA -0.699 57.514 58.200 0.021 0.000 1.105 604 S CB 0.794 63.956 63.200 -0.063 0.000 0.981 604 S HN 0.927 nan 8.310 nan 0.000 0.464 605 K N 3.614 124.092 120.400 0.130 0.000 2.097 605 K HA -0.079 4.240 4.320 -0.001 0.000 0.206 605 K C 1.732 178.335 176.600 0.005 0.000 1.049 605 K CA 1.677 58.041 56.287 0.129 0.000 0.933 605 K CB -0.110 32.479 32.500 0.149 0.000 0.717 605 K HN 0.669 nan 8.250 nan 0.000 0.442 606 N N 0.414 119.098 118.700 -0.026 0.000 2.142 606 N HA -0.109 4.630 4.740 -0.001 0.000 0.186 606 N C 1.753 177.147 175.510 -0.194 0.000 1.023 606 N CA 0.908 53.913 53.050 -0.074 0.000 0.852 606 N CB -0.033 38.449 38.487 -0.007 0.000 0.998 606 N HN 0.088 nan 8.380 nan 0.000 0.424 607 I N 1.111 121.516 120.570 -0.276 0.000 2.353 607 I HA -0.208 3.961 4.170 -0.001 0.000 0.248 607 I C 2.545 178.497 176.117 -0.275 0.000 1.119 607 I CA 0.878 61.968 61.300 -0.351 0.000 1.417 607 I CB -0.220 37.569 38.000 -0.351 0.000 1.078 607 I HN 0.236 nan 8.210 nan 0.000 0.421 608 E N 1.836 121.909 120.200 -0.211 0.000 2.097 608 E HA -0.294 4.055 4.350 -0.001 0.000 0.196 608 E C 2.015 178.533 176.600 -0.136 0.000 1.000 608 E CA 1.599 57.913 56.400 -0.144 0.000 0.804 608 E CB 0.050 29.744 29.700 -0.011 0.000 0.740 608 E HN 0.421 nan 8.360 nan 0.000 0.454 609 K N -0.266 120.055 120.400 -0.132 0.000 2.283 609 K HA -0.079 4.240 4.320 -0.001 0.000 0.202 609 K C 2.138 178.609 176.600 -0.214 0.000 1.048 609 K CA 1.316 57.525 56.287 -0.131 0.000 0.948 609 K CB -0.057 32.386 32.500 -0.095 0.000 0.742 609 K HN 0.261 nan 8.250 nan 0.000 0.458 610 M N -0.417 118.970 119.600 -0.355 0.000 2.229 610 M HA -0.020 4.459 4.480 -0.001 0.000 0.264 610 M C 1.054 177.032 176.300 -0.536 0.000 1.063 610 M CA 1.249 56.175 55.300 -0.623 0.000 1.114 610 M CB -0.196 31.717 32.600 -1.146 0.000 1.387 610 M HN 0.369 nan 8.290 nan 0.000 0.420 611 G N 1.056 109.661 108.800 -0.324 0.000 2.314 611 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.292 611 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.292 611 G C -0.520 174.383 174.900 0.006 0.000 1.059 611 G CA -0.266 44.755 45.100 -0.132 0.000 0.982 611 G HN 0.591 nan 8.290 nan 0.000 0.505 612 Y N 0.124 120.390 120.300 -0.057 0.000 2.367 612 Y HA 0.196 4.746 4.550 -0.001 0.000 0.342 612 Y C 1.385 177.259 175.900 -0.043 0.000 0.979 612 Y CA -1.178 56.897 58.100 -0.042 0.000 1.161 612 Y CB 1.047 39.480 38.460 -0.044 0.000 1.155 612 Y HN 0.135 nan 8.280 nan 0.000 0.503 613 D N 1.593 122.069 120.400 0.126 0.000 2.182 613 D HA -0.177 4.463 4.640 -0.001 0.000 0.201 613 D C 1.227 177.542 176.300 0.026 0.000 0.986 613 D CA 1.548 55.576 54.000 0.047 0.000 0.847 613 D CB -0.066 40.757 40.800 0.038 0.000 0.942 613 D HN 0.706 nan 8.370 nan 0.000 0.467 614 D N -1.091 119.348 120.400 0.065 0.000 2.328 614 D HA -0.017 4.622 4.640 -0.001 0.000 0.221 614 D C -0.009 176.345 176.300 0.090 0.000 1.072 614 D CA -0.245 53.806 54.000 0.086 0.000 0.850 614 D CB -0.559 40.325 40.800 0.141 0.000 0.922 614 D HN 0.016 nan 8.370 nan 0.000 0.516 615 C N 1.417 120.766 119.300 0.083 0.000 3.452 615 C HA 0.409 4.868 4.460 -0.001 0.000 0.251 615 C C -2.632 172.376 174.990 0.030 0.000 1.160 615 C CA -1.576 57.497 59.018 0.092 0.000 1.328 615 C CB -0.676 27.158 27.740 0.156 0.000 1.819 615 C HN 0.044 nan 8.230 nan 0.000 0.543 616 P HA 0.174 nan 4.420 nan 0.000 0.272 616 P C 0.427 177.595 177.300 -0.220 0.000 1.248 616 P CA 0.300 63.268 63.100 -0.220 0.000 0.799 616 P CB 0.698 32.157 31.700 -0.401 0.000 0.997 617 A N -0.109 122.485 122.820 -0.378 0.000 2.259 617 A HA 0.097 4.417 4.320 -0.001 0.000 0.208 617 A C 0.331 177.608 177.584 -0.512 0.000 1.201 617 A CA 0.835 52.605 52.037 -0.444 0.000 0.824 617 A CB -1.299 17.227 19.000 -0.790 0.000 0.838 617 A HN 0.795 nan 8.150 nan 0.000 0.485 618 H N -4.358 114.369 119.070 -0.572 0.000 3.008 618 H HA 0.648 5.203 4.556 -0.002 0.000 0.354 618 H C -3.590 171.041 175.328 -1.162 0.000 1.252 618 H CA -2.966 52.579 56.048 -0.838 0.000 1.117 618 H CB 0.039 29.662 29.762 -0.232 0.000 1.857 618 H HN -0.179 nan 8.280 nan 0.000 0.547 619 P HA 0.176 nan 4.420 nan 0.000 0.263 619 P C -0.682 176.548 177.300 -0.117 0.000 1.195 619 P CA 0.238 62.920 63.100 -0.697 0.000 0.762 619 P CB 0.551 31.868 31.700 -0.639 0.000 0.799 620 T N 3.313 117.776 114.554 -0.151 0.000 2.912 620 T HA 0.261 4.610 4.350 -0.001 0.000 0.299 620 T C -1.316 173.453 174.700 0.116 0.000 1.052 620 T CA -0.565 61.472 62.100 -0.105 0.000 0.996 620 T CB 1.209 69.841 68.868 -0.394 0.000 1.070 620 T HN 0.412 nan 8.240 nan 0.000 0.465 621 W N 5.657 127.066 121.300 0.182 0.000 2.345 621 W HA 0.605 5.264 4.660 -0.001 0.000 0.308 621 W C -1.576 174.973 176.519 0.050 0.000 1.273 621 W CA -0.557 56.901 57.345 0.187 0.000 1.243 621 W CB 0.326 30.036 29.460 0.416 0.000 1.260 621 W HN 0.541 nan 8.180 nan 0.000 0.509 622 M N 4.611 123.611 119.600 -1.000 0.000 2.518 622 M HA 0.152 4.632 4.480 -0.001 0.000 0.300 622 M C -0.121 175.481 176.300 -1.162 0.000 1.175 622 M CA -0.834 53.882 55.300 -0.974 0.000 0.890 622 M CB 2.419 34.353 32.600 -1.109 0.000 1.710 622 M HN 0.245 nan 8.290 nan 0.000 0.453 623 E N 4.036 123.867 120.200 -0.615 0.000 2.324 623 E HA 0.227 4.577 4.350 -0.001 0.000 0.271 623 E C -2.254 174.300 176.600 -0.078 0.000 1.028 623 E CA -1.178 55.037 56.400 -0.308 0.000 0.890 623 E CB 0.303 29.975 29.700 -0.047 0.000 1.004 623 E HN 0.312 nan 8.360 nan 0.000 0.431 624 P HA 0.027 nan 4.420 nan 0.000 0.277 624 P C 0.999 178.473 177.300 0.290 0.000 1.271 624 P CA -0.542 62.698 63.100 0.232 0.000 0.795 624 P CB 0.945 32.752 31.700 0.177 0.000 1.101 625 L N -0.367 121.083 121.223 0.379 0.000 2.013 625 L HA -0.127 4.212 4.340 -0.001 0.000 0.212 625 L C 0.883 177.813 176.870 0.101 0.000 1.073 625 L CA 2.013 56.923 54.840 0.116 0.000 0.753 625 L CB -0.769 41.238 42.059 -0.088 0.000 0.890 625 L HN 0.653 nan 8.230 nan 0.000 0.432 626 E N -1.005 119.263 120.200 0.114 0.000 2.352 626 E HA 0.499 4.848 4.350 -0.001 0.000 0.280 626 E C -1.040 175.652 176.600 0.153 0.000 0.930 626 E CA -0.982 55.489 56.400 0.118 0.000 0.765 626 E CB 1.512 31.270 29.700 0.097 0.000 1.219 626 E HN 0.393 nan 8.360 nan 0.000 0.434 627 R N 1.458 122.056 120.500 0.162 0.000 2.707 627 R HA 0.491 4.830 4.340 -0.001 0.000 0.272 627 R C -1.233 175.166 176.300 0.165 0.000 1.011 627 R CA -1.149 55.068 56.100 0.195 0.000 0.893 627 R CB 1.052 31.477 30.300 0.208 0.000 1.233 627 R HN 0.480 nan 8.270 nan 0.000 0.464 628 L N 3.168 124.494 121.223 0.171 0.000 2.628 628 L HA 0.075 4.414 4.340 -0.001 0.000 0.274 628 L C -0.379 176.537 176.870 0.078 0.000 1.209 628 L CA 1.339 56.253 54.840 0.122 0.000 0.930 628 L CB -0.406 41.715 42.059 0.104 0.000 1.183 628 L HN 0.851 nan 8.230 nan 0.000 0.492 629 D N 2.160 122.597 120.400 0.062 0.000 3.059 629 D HA -0.171 4.469 4.640 -0.001 0.000 0.220 629 D C 0.598 176.927 176.300 0.048 0.000 1.169 629 D CA 1.195 55.218 54.000 0.038 0.000 0.902 629 D CB -1.502 39.304 40.800 0.011 0.000 1.116 629 D HN 0.901 nan 8.370 nan 0.000 0.417 630 G N 0.882 109.728 108.800 0.076 0.000 2.544 630 G HA2 0.380 4.339 3.960 -0.001 0.000 0.242 630 G HA3 0.380 4.339 3.960 -0.001 0.000 0.242 630 G C -2.058 172.882 174.900 0.067 0.000 1.247 630 G CA -0.750 44.405 45.100 0.092 0.000 0.840 630 G HN -0.025 nan 8.290 nan 0.000 0.578 631 P HA 0.136 nan 4.420 nan 0.000 0.262 631 P C 0.920 178.248 177.300 0.047 0.000 1.199 631 P CA 1.132 64.263 63.100 0.051 0.000 0.763 631 P CB 0.800 32.535 31.700 0.059 0.000 0.790 632 G N 2.452 111.271 108.800 0.031 0.000 2.162 632 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.260 632 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.260 632 G C 0.446 175.358 174.900 0.020 0.000 0.976 632 G CA 0.069 45.182 45.100 0.022 0.000 0.655 632 G HN 0.894 nan 8.290 nan 0.000 0.533 633 A N -0.041 122.799 122.820 0.033 0.000 2.511 633 A HA 0.573 4.893 4.320 -0.001 0.000 0.242 633 A C 1.354 178.937 177.584 -0.000 0.000 1.069 633 A CA 1.476 53.539 52.037 0.043 0.000 0.763 633 A CB 0.362 19.402 19.000 0.068 0.000 1.001 633 A HN 0.587 nan 8.150 nan 0.000 0.498 634 K N 1.612 121.997 120.400 -0.024 0.000 2.031 634 K HA -0.048 4.271 4.320 -0.001 0.000 0.205 634 K C -0.465 175.954 176.600 -0.301 0.000 1.049 634 K CA 1.070 57.244 56.287 -0.187 0.000 0.939 634 K CB -0.145 32.197 32.500 -0.264 0.000 0.717 634 K HN 0.734 nan 8.250 nan 0.000 0.438 635 Y N 0.145 120.441 120.300 -0.007 0.000 2.352 635 Y HA 0.191 4.741 4.550 -0.001 0.000 0.326 635 Y C -1.562 174.331 175.900 -0.011 0.000 1.166 635 Y CA -2.252 55.831 58.100 -0.028 0.000 1.182 635 Y CB 1.376 39.800 38.460 -0.059 0.000 1.216 635 Y HN 0.111 nan 8.280 nan 0.000 0.474 636 P HA 0.071 nan 4.420 nan 0.000 0.234 636 P C -0.460 176.889 177.300 0.081 0.000 1.175 636 P CA 0.913 64.060 63.100 0.079 0.000 0.801 636 P CB 1.169 32.901 31.700 0.054 0.000 0.891 637 L N -0.193 121.080 121.223 0.084 0.000 2.346 637 L HA 0.443 4.782 4.340 -0.001 0.000 0.276 637 L C 0.176 177.098 176.870 0.086 0.000 1.006 637 L CA -1.180 53.706 54.840 0.077 0.000 0.817 637 L CB 1.781 43.868 42.059 0.047 0.000 1.272 637 L HN -0.080 nan 8.230 nan 0.000 0.421 638 H N 3.008 122.102 119.070 0.040 0.000 2.548 638 H HA 0.450 5.005 4.556 -0.001 0.000 0.331 638 H C -0.682 174.670 175.328 0.040 0.000 1.093 638 H CA -0.193 55.883 56.048 0.046 0.000 1.367 638 H CB 0.894 30.692 29.762 0.061 0.000 1.455 638 H HN 0.404 nan 8.280 nan 0.000 0.519 639 I N 4.779 125.103 120.570 -0.410 0.000 2.307 639 I HA 0.233 4.402 4.170 -0.001 0.000 0.289 639 I C 0.120 176.193 176.117 -0.074 0.000 1.021 639 I CA -0.794 60.408 61.300 -0.163 0.000 1.224 639 I CB 1.241 39.156 38.000 -0.141 0.000 1.376 639 I HN 0.724 nan 8.210 nan 0.000 0.470 640 A N 6.000 128.930 122.820 0.183 0.000 2.899 640 A HA 0.454 4.773 4.320 -0.001 0.000 0.287 640 A C 0.940 178.639 177.584 0.192 0.000 1.715 640 A CA -0.279 51.918 52.037 0.266 0.000 1.393 640 A CB -0.392 18.752 19.000 0.241 0.000 1.070 640 A HN 0.834 nan 8.150 nan 0.000 0.587 641 A N 3.010 125.937 122.820 0.179 0.000 3.118 641 A HA 0.491 4.810 4.320 -0.001 0.000 0.256 641 A C 1.049 178.805 177.584 0.287 0.000 1.667 641 A CA 0.241 52.389 52.037 0.184 0.000 1.338 641 A CB -0.950 18.116 19.000 0.111 0.000 1.127 641 A HN 1.091 nan 8.150 nan 0.000 0.634 642 S N 0.050 115.973 115.700 0.372 0.000 2.719 642 S HA 0.413 4.882 4.470 -0.001 0.000 0.285 642 S C 0.053 174.951 174.600 0.496 0.000 1.137 642 S CA -0.639 57.837 58.200 0.460 0.000 1.012 642 S CB 0.166 63.610 63.200 0.407 0.000 1.134 642 S HN 0.608 nan 8.310 nan 0.000 0.544 643 H N 2.208 121.376 119.070 0.163 0.000 2.764 643 H HA 0.252 4.808 4.556 -0.001 0.000 0.341 643 H C -2.095 173.002 175.328 -0.384 0.000 1.072 643 H CA -1.394 54.643 56.048 -0.019 0.000 1.444 643 H CB 0.450 30.206 29.762 -0.011 0.000 1.458 643 H HN 0.496 nan 8.280 nan 0.000 0.572 644 P HA -0.086 nan 4.420 nan 0.000 0.271 644 P C 0.247 177.158 177.300 -0.650 0.000 1.218 644 P CA 0.136 62.655 63.100 -0.969 0.000 0.780 644 P CB 0.804 32.277 31.700 -0.378 0.000 0.901 645 F N 2.379 121.896 119.950 -0.722 0.000 2.234 645 F HA -0.003 4.523 4.527 -0.001 0.000 0.296 645 F C 1.537 177.279 175.800 -0.096 0.000 1.089 645 F CA 1.305 59.166 58.000 -0.232 0.000 1.343 645 F CB 0.208 39.187 39.000 -0.036 0.000 1.040 645 F HN 0.247 nan 8.300 nan 0.000 0.498 646 N N 0.599 119.363 118.700 0.107 0.000 2.328 646 N HA 0.200 4.939 4.740 -0.001 0.000 0.247 646 N C -0.650 174.927 175.510 0.112 0.000 1.165 646 N CA 0.125 53.264 53.050 0.148 0.000 0.873 646 N CB 0.563 39.187 38.487 0.228 0.000 1.125 646 N HN 0.245 nan 8.380 nan 0.000 0.513 647 R N -0.084 120.450 120.500 0.057 0.000 2.781 647 R HA 0.394 4.733 4.340 -0.001 0.000 0.269 647 R C -1.287 175.091 176.300 0.130 0.000 1.025 647 R CA -0.915 55.272 56.100 0.145 0.000 0.914 647 R CB 1.486 31.857 30.300 0.118 0.000 1.236 647 R HN -0.090 nan 8.270 nan 0.000 0.465 648 L N 2.904 124.259 121.223 0.219 0.000 2.314 648 L HA 0.316 4.655 4.340 -0.001 0.000 0.275 648 L C 0.086 176.894 176.870 -0.102 0.000 1.068 648 L CA 0.420 55.206 54.840 -0.091 0.000 0.894 648 L CB -0.798 41.198 42.059 -0.106 0.000 1.275 648 L HN 0.654 nan 8.230 nan 0.000 0.432 649 H N 1.572 120.598 119.070 -0.073 0.000 1.452 649 H HA -0.286 4.269 4.556 -0.001 0.000 0.090 649 H C 1.436 176.846 175.328 0.137 0.000 0.648 649 H CA 1.630 57.658 56.048 -0.033 0.000 1.901 649 H CB -1.628 28.114 29.762 -0.034 0.000 2.257 649 H HN 0.653 nan 8.280 nan 0.000 0.961 650 S N 2.647 118.595 115.700 0.413 0.000 2.528 650 S HA 0.024 4.493 4.470 -0.001 0.000 0.219 650 S C 0.579 175.517 174.600 0.564 0.000 0.985 650 S CA 0.480 58.995 58.200 0.525 0.000 0.914 650 S CB 0.056 63.584 63.200 0.548 0.000 0.776 650 S HN 0.416 nan 8.310 nan 0.000 0.526 651 Q N 1.134 121.214 119.800 0.466 0.000 2.300 651 Q HA 0.335 4.674 4.340 -0.001 0.000 0.280 651 Q C 0.261 176.490 176.000 0.381 0.000 1.033 651 Q CA 0.559 56.652 55.803 0.484 0.000 0.903 651 Q CB 0.302 29.396 28.738 0.592 0.000 1.195 651 Q HN 0.519 nan 8.270 nan 0.000 0.386 652 L N 0.610 122.007 121.223 0.290 0.000 4.885 652 L HA -0.311 4.028 4.340 -0.001 0.000 0.404 652 L C 1.180 178.026 176.870 -0.040 0.000 0.970 652 L CA 0.178 55.080 54.840 0.104 0.000 1.426 652 L CB -1.468 40.619 42.059 0.046 0.000 1.934 652 L HN 0.621 nan 8.230 nan 0.000 0.613 653 N N 1.713 120.314 118.700 -0.165 0.000 2.244 653 N HA -0.043 4.696 4.740 -0.001 0.000 0.183 653 N C 1.430 176.468 175.510 -0.786 0.000 1.016 653 N CA 1.741 54.494 53.050 -0.495 0.000 0.866 653 N CB 0.008 38.010 38.487 -0.808 0.000 0.980 653 N HN 0.481 nan 8.380 nan 0.000 0.430 654 G N -0.081 108.247 108.800 -0.786 0.000 3.709 654 G HA2 0.252 4.212 3.960 -0.001 0.000 0.272 654 G HA3 0.252 4.212 3.960 -0.001 0.000 0.272 654 G C -0.171 174.618 174.900 -0.186 0.000 1.259 654 G CA 0.198 45.036 45.100 -0.437 0.000 1.512 654 G HN 0.415 nan 8.290 nan 0.000 0.625 655 T N -3.916 110.485 114.554 -0.255 0.000 2.804 655 T HA 0.375 4.724 4.350 -0.001 0.000 0.290 655 T C 1.449 176.016 174.700 -0.221 0.000 1.099 655 T CA 0.144 62.146 62.100 -0.163 0.000 1.011 655 T CB 1.298 70.093 68.868 -0.121 0.000 1.291 655 T HN 0.378 nan 8.240 nan 0.000 0.523 656 V N 0.033 119.844 119.914 -0.172 0.000 2.720 656 V HA -0.011 4.108 4.120 -0.001 0.000 0.256 656 V C 2.396 178.368 176.094 -0.204 0.000 1.082 656 V CA 1.286 63.479 62.300 -0.180 0.000 1.101 656 V CB -1.635 30.104 31.823 -0.141 0.000 0.693 656 V HN 0.773 nan 8.190 nan 0.000 0.479 657 L N -0.132 120.981 121.223 -0.184 0.000 2.187 657 L HA -0.146 4.193 4.340 -0.001 0.000 0.213 657 L C 2.936 179.601 176.870 -0.341 0.000 1.100 657 L CA 2.061 56.811 54.840 -0.151 0.000 0.765 657 L CB -0.720 41.324 42.059 -0.025 0.000 0.904 657 L HN 0.312 nan 8.230 nan 0.000 0.437 658 R N 1.045 121.237 120.500 -0.513 0.000 2.105 658 R HA -0.224 4.115 4.340 -0.001 0.000 0.239 658 R C 2.212 178.005 176.300 -0.844 0.000 1.135 658 R CA 1.887 57.411 56.100 -0.960 0.000 0.967 658 R CB -0.140 29.695 30.300 -0.774 0.000 0.861 658 R HN 0.602 nan 8.270 nan 0.000 0.442 659 E N -1.187 118.724 120.200 -0.482 0.000 2.338 659 E HA -0.094 4.255 4.350 -0.001 0.000 0.197 659 E C 1.532 177.980 176.600 -0.253 0.000 1.007 659 E CA 1.154 57.364 56.400 -0.316 0.000 0.849 659 E CB -0.143 29.429 29.700 -0.212 0.000 0.774 659 E HN 0.445 nan 8.360 nan 0.000 0.506 660 G N 0.244 108.887 108.800 -0.262 0.000 2.650 660 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.214 660 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.214 660 G C 0.882 175.775 174.900 -0.013 0.000 1.136 660 G CA 0.812 45.848 45.100 -0.107 0.000 0.789 660 G HN 0.557 nan 8.290 nan 0.000 0.536 661 Y N -2.277 118.022 120.300 -0.001 0.000 2.437 661 Y HA 0.696 5.246 4.550 -0.001 0.000 0.266 661 Y C 1.191 177.111 175.900 0.034 0.000 1.077 661 Y CA -1.061 57.056 58.100 0.029 0.000 1.235 661 Y CB -0.413 38.093 38.460 0.076 0.000 1.303 661 Y HN 0.137 nan 8.280 nan 0.000 0.536 662 A N 1.632 124.412 122.820 -0.067 0.000 2.466 662 A HA 0.505 4.825 4.320 -0.001 0.000 0.238 662 A C -0.372 177.246 177.584 0.056 0.000 1.074 662 A CA 0.014 52.078 52.037 0.045 0.000 0.774 662 A CB 0.198 19.162 19.000 -0.060 0.000 1.015 662 A HN 0.236 nan 8.150 nan 0.000 0.498 663 V N 3.360 123.330 119.914 0.093 0.000 2.349 663 V HA 0.287 4.406 4.120 -0.001 0.000 0.284 663 V C 0.095 176.271 176.094 0.135 0.000 1.014 663 V CA -0.269 62.084 62.300 0.089 0.000 0.826 663 V CB 0.462 32.335 31.823 0.082 0.000 1.009 663 V HN 1.059 nan 8.190 nan 0.000 0.431 664 Q N 3.368 123.225 119.800 0.095 0.000 2.481 664 Q HA -0.290 4.049 4.340 -0.001 0.000 0.272 664 Q C 1.305 177.316 176.000 0.019 0.000 1.157 664 Q CA 0.912 56.778 55.803 0.105 0.000 0.935 664 Q CB -1.413 27.439 28.738 0.189 0.000 1.338 664 Q HN 1.587 nan 8.270 nan 0.000 0.494 665 G N -1.121 107.662 108.800 -0.028 0.000 2.225 665 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.254 665 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.254 665 G C 0.096 174.967 174.900 -0.049 0.000 0.988 665 G CA 0.503 45.547 45.100 -0.093 0.000 0.625 665 G HN 0.566 nan 8.290 nan 0.000 0.527 666 H N 0.583 119.705 119.070 0.087 0.000 2.499 666 H HA 0.532 5.087 4.556 -0.001 0.000 0.352 666 H C 0.454 175.670 175.328 -0.185 0.000 1.237 666 H CA -0.170 55.832 56.048 -0.077 0.000 1.343 666 H CB 1.195 30.889 29.762 -0.113 0.000 1.578 666 H HN 0.302 nan 8.280 nan 0.000 0.577 667 E N 2.754 122.645 120.200 -0.515 0.000 2.414 667 E HA 0.070 4.419 4.350 -0.001 0.000 0.263 667 E C -2.313 174.278 176.600 -0.015 0.000 1.000 667 E CA -1.354 54.933 56.400 -0.189 0.000 0.914 667 E CB 0.318 29.827 29.700 -0.319 0.000 0.948 667 E HN 0.263 nan 8.360 nan 0.000 0.444 668 P HA 0.074 nan 4.420 nan 0.000 0.277 668 P C -0.819 176.466 177.300 -0.026 0.000 1.240 668 P CA -0.532 62.593 63.100 0.041 0.000 0.798 668 P CB 0.982 32.732 31.700 0.082 0.000 0.979 669 C N 5.126 124.406 119.300 -0.033 0.000 2.344 669 C HA 0.471 4.930 4.460 -0.001 0.000 0.326 669 C C -0.062 174.905 174.990 -0.039 0.000 1.201 669 C CA -0.796 58.194 59.018 -0.048 0.000 1.410 669 C CB -1.125 26.594 27.740 -0.035 0.000 2.070 669 C HN 0.437 nan 8.230 nan 0.000 0.445 670 L N 6.483 127.670 121.223 -0.060 0.000 2.367 670 L HA 0.461 4.801 4.340 -0.001 0.000 0.275 670 L C 0.204 177.076 176.870 0.003 0.000 1.129 670 L CA 0.383 55.203 54.840 -0.033 0.000 0.839 670 L CB 0.990 43.022 42.059 -0.045 0.000 1.133 670 L HN 0.711 nan 8.230 nan 0.000 0.453 671 M N 3.151 122.763 119.600 0.020 0.000 2.386 671 M HA 0.323 4.802 4.480 -0.001 0.000 0.293 671 M C -0.698 175.646 176.300 0.074 0.000 1.120 671 M CA -0.638 54.693 55.300 0.053 0.000 0.909 671 M CB 2.199 34.824 32.600 0.041 0.000 1.661 671 M HN 0.554 nan 8.290 nan 0.000 0.452 672 H N 5.088 124.170 119.070 0.020 0.000 2.815 672 H HA 0.192 4.748 4.556 -0.001 0.000 0.350 672 H C -2.061 173.278 175.328 0.018 0.000 1.080 672 H CA -0.426 55.634 56.048 0.021 0.000 1.433 672 H CB 1.368 31.143 29.762 0.023 0.000 1.432 672 H HN 0.479 nan 8.280 nan 0.000 0.592 673 P HA -0.173 nan 4.420 nan 0.000 0.216 673 P C 0.851 178.211 177.300 0.099 0.000 1.154 673 P CA 1.373 64.424 63.100 -0.081 0.000 0.865 673 P CB 0.376 31.969 31.700 -0.178 0.000 0.789 674 D N -0.748 119.856 120.400 0.340 0.000 2.117 674 D HA -0.139 4.500 4.640 -0.001 0.000 0.197 674 D C 1.572 177.962 176.300 0.149 0.000 0.987 674 D CA 1.109 55.250 54.000 0.236 0.000 0.829 674 D CB -0.819 40.104 40.800 0.205 0.000 0.961 674 D HN 0.190 nan 8.370 nan 0.000 0.460 675 D N 0.273 120.773 120.400 0.165 0.000 2.183 675 D HA -0.033 4.606 4.640 -0.001 0.000 0.203 675 D C 1.989 178.336 176.300 0.077 0.000 0.969 675 D CA 0.945 55.002 54.000 0.094 0.000 0.842 675 D CB -0.144 40.711 40.800 0.092 0.000 0.957 675 D HN 0.134 nan 8.370 nan 0.000 0.484 676 A N 1.433 124.300 122.820 0.079 0.000 1.855 676 A HA -0.037 4.282 4.320 -0.001 0.000 0.215 676 A C 2.372 179.984 177.584 0.047 0.000 1.191 676 A CA 2.200 54.269 52.037 0.053 0.000 0.613 676 A CB -0.868 18.155 19.000 0.038 0.000 0.829 676 A HN 0.218 nan 8.150 nan 0.000 0.442 677 A N -0.129 122.720 122.820 0.047 0.000 1.948 677 A HA 0.081 4.401 4.320 -0.001 0.000 0.220 677 A C 2.421 180.028 177.584 0.038 0.000 1.177 677 A CA 2.241 54.301 52.037 0.039 0.000 0.636 677 A CB -0.997 18.027 19.000 0.039 0.000 0.815 677 A HN 1.188 nan 8.150 nan 0.000 0.449 678 A N -0.924 121.922 122.820 0.043 0.000 2.121 678 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 678 A C 2.035 179.642 177.584 0.038 0.000 1.154 678 A CA 1.355 53.415 52.037 0.037 0.000 0.679 678 A CB -0.264 18.759 19.000 0.038 0.000 0.795 678 A HN 0.544 nan 8.150 nan 0.000 0.458 679 R N -1.702 118.823 120.500 0.042 0.000 2.472 679 R HA 0.285 4.625 4.340 -0.001 0.000 0.279 679 R C 0.944 177.267 176.300 0.039 0.000 0.953 679 R CA 0.439 56.565 56.100 0.044 0.000 1.088 679 R CB 0.309 30.641 30.300 0.053 0.000 1.197 679 R HN 0.527 nan 8.270 nan 0.000 0.536 680 G N 1.967 110.787 108.800 0.033 0.000 2.273 680 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.280 680 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.280 680 G C -0.003 174.915 174.900 0.030 0.000 1.047 680 G CA 0.086 45.203 45.100 0.028 0.000 0.869 680 G HN 0.261 nan 8.290 nan 0.000 0.502 681 I N 0.684 121.273 120.570 0.033 0.000 2.353 681 I HA 0.600 4.769 4.170 -0.001 0.000 0.293 681 I C 0.751 176.883 176.117 0.026 0.000 0.992 681 I CA -0.433 60.886 61.300 0.032 0.000 1.268 681 I CB 1.690 39.712 38.000 0.037 0.000 1.387 681 I HN 0.315 nan 8.210 nan 0.000 0.478 682 A N 4.214 127.048 122.820 0.023 0.000 2.306 682 A HA 0.351 4.670 4.320 -0.001 0.000 0.330 682 A C -0.563 177.031 177.584 0.018 0.000 1.146 682 A CA -0.610 51.438 52.037 0.018 0.000 0.827 682 A CB 0.799 19.809 19.000 0.017 0.000 1.178 682 A HN 0.744 nan 8.150 nan 0.000 0.490 683 D N 0.456 120.864 120.400 0.012 0.000 2.531 683 D HA 0.352 4.992 4.640 -0.001 0.000 0.239 683 D C 1.340 177.650 176.300 0.017 0.000 1.144 683 D CA 2.297 56.304 54.000 0.010 0.000 0.869 683 D CB 0.131 40.933 40.800 0.004 0.000 1.160 683 D HN 1.291 nan 8.370 nan 0.000 0.484 684 G N 3.064 111.876 108.800 0.021 0.000 2.194 684 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.236 684 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.236 684 G C 0.129 175.052 174.900 0.038 0.000 0.987 684 G CA 0.027 45.146 45.100 0.030 0.000 0.635 684 G HN 0.623 nan 8.290 nan 0.000 0.520 685 D N 0.240 120.660 120.400 0.033 0.000 2.382 685 D HA 0.431 5.070 4.640 -0.001 0.000 0.240 685 D C 0.843 177.163 176.300 0.034 0.000 1.146 685 D CA -0.068 53.956 54.000 0.040 0.000 0.897 685 D CB 1.518 42.340 40.800 0.037 0.000 1.197 685 D HN 0.139 nan 8.370 nan 0.000 0.432 686 V N 2.191 122.131 119.914 0.042 0.000 2.488 686 V HA 0.269 4.388 4.120 -0.001 0.000 0.277 686 V C 0.431 176.530 176.094 0.008 0.000 1.046 686 V CA -0.304 61.982 62.300 -0.022 0.000 0.986 686 V CB 1.008 32.824 31.823 -0.012 0.000 0.989 686 V HN 0.365 nan 8.190 nan 0.000 0.475 687 V N 3.251 123.132 119.914 -0.055 0.000 3.001 687 V HA 0.723 4.842 4.120 -0.001 0.000 0.314 687 V C -0.435 175.632 176.094 -0.044 0.000 1.099 687 V CA -1.263 61.043 62.300 0.010 0.000 0.989 687 V CB 1.964 33.798 31.823 0.019 0.000 1.040 687 V HN 0.831 nan 8.190 nan 0.000 0.434 688 R N 1.841 122.370 120.500 0.049 0.000 2.294 688 R HA 0.770 5.109 4.340 -0.001 0.000 0.319 688 R C -1.547 174.822 176.300 0.114 0.000 0.984 688 R CA -0.452 55.664 56.100 0.026 0.000 0.861 688 R CB 1.759 32.125 30.300 0.111 0.000 1.104 688 R HN 0.776 nan 8.270 nan 0.000 0.451 689 V N 5.344 125.294 119.914 0.061 0.000 2.417 689 V HA 0.423 4.542 4.120 -0.001 0.000 0.291 689 V C -0.790 175.345 176.094 0.068 0.000 1.024 689 V CA -0.702 61.623 62.300 0.043 0.000 0.861 689 V CB 1.085 32.892 31.823 -0.026 0.000 0.985 689 V HN 1.039 nan 8.190 nan 0.000 0.436 690 H N 2.549 121.566 119.070 -0.088 0.000 3.037 690 H HA 0.863 5.419 4.556 -0.001 0.000 0.355 690 H C -0.704 174.433 175.328 -0.317 0.000 1.263 690 H CA -0.830 55.142 56.048 -0.125 0.000 1.129 690 H CB 1.836 31.580 29.762 -0.032 0.000 1.861 690 H HN 0.581 nan 8.280 nan 0.000 0.546 691 N N -0.086 118.408 118.700 -0.343 0.000 3.633 691 N HA 0.150 4.889 4.740 -0.001 0.000 0.344 691 N C -0.455 174.948 175.510 -0.178 0.000 1.627 691 N CA -0.608 51.947 53.050 -0.825 0.000 0.754 691 N CB -0.062 37.810 38.487 -1.026 0.000 2.450 691 N HN 0.541 nan 8.380 nan 0.000 0.592 692 D N -0.763 119.610 120.400 -0.045 0.000 2.347 692 D HA 0.100 4.739 4.640 -0.001 0.000 0.215 692 D C 1.126 177.441 176.300 0.025 0.000 0.976 692 D CA 0.620 54.678 54.000 0.096 0.000 0.884 692 D CB 0.205 41.097 40.800 0.153 0.000 0.915 692 D HN 0.406 nan 8.370 nan 0.000 0.526 693 R N -0.360 120.120 120.500 -0.035 0.000 2.156 693 R HA 0.338 4.677 4.340 -0.001 0.000 0.207 693 R C 1.238 177.523 176.300 -0.025 0.000 1.040 693 R CA 0.568 56.647 56.100 -0.035 0.000 1.013 693 R CB 0.745 31.006 30.300 -0.066 0.000 0.931 693 R HN 0.063 nan 8.270 nan 0.000 0.465 694 G N -0.182 108.603 108.800 -0.026 0.000 2.490 694 G HA2 0.312 4.271 3.960 -0.001 0.000 0.308 694 G HA3 0.312 4.271 3.960 -0.001 0.000 0.308 694 G C -1.947 172.970 174.900 0.029 0.000 1.286 694 G CA -0.796 44.307 45.100 0.005 0.000 0.825 694 G HN 0.111 nan 8.290 nan 0.000 0.479 695 Q N -1.014 118.814 119.800 0.047 0.000 2.320 695 Q HA 0.694 5.034 4.340 -0.001 0.000 0.272 695 Q C -0.909 175.116 176.000 0.041 0.000 1.023 695 Q CA -1.004 54.836 55.803 0.061 0.000 0.855 695 Q CB 2.423 31.198 28.738 0.062 0.000 1.367 695 Q HN 1.112 nan 8.270 nan 0.000 0.406 696 I N -1.191 119.387 120.570 0.013 0.000 3.174 696 I HA 0.670 4.840 4.170 -0.001 0.000 0.313 696 I C -1.400 174.652 176.117 -0.108 0.000 1.155 696 I CA -1.708 59.585 61.300 -0.012 0.000 0.977 696 I CB 1.951 39.961 38.000 0.017 0.000 1.248 696 I HN 0.610 nan 8.210 nan 0.000 0.453 697 L N 2.053 123.174 121.223 -0.171 0.000 2.325 697 L HA 0.708 5.047 4.340 -0.001 0.000 0.278 697 L C -0.067 176.642 176.870 -0.269 0.000 1.023 697 L CA -0.386 54.255 54.840 -0.332 0.000 0.811 697 L CB 1.966 43.677 42.059 -0.579 0.000 1.249 697 L HN 0.888 nan 8.230 nan 0.000 0.431 698 T N -1.405 112.982 114.554 -0.279 0.000 2.812 698 T HA 0.688 5.037 4.350 -0.001 0.000 0.294 698 T C -0.322 174.273 174.700 -0.174 0.000 1.159 698 T CA -0.786 61.205 62.100 -0.183 0.000 1.008 698 T CB 1.897 70.705 68.868 -0.100 0.000 1.289 698 T HN 0.659 nan 8.240 nan 0.000 0.514 699 G N 0.353 109.126 108.800 -0.045 0.000 2.417 699 G HA2 0.573 4.532 3.960 -0.001 0.000 0.320 699 G HA3 0.573 4.532 3.960 -0.001 0.000 0.320 699 G C -0.654 174.251 174.900 0.008 0.000 1.204 699 G CA -0.650 44.456 45.100 0.010 0.000 0.923 699 G HN 0.786 nan 8.290 nan 0.000 0.466 700 V N 2.148 122.065 119.914 0.006 0.000 2.732 700 V HA 0.342 4.461 4.120 -0.001 0.000 0.297 700 V C 0.240 176.341 176.094 0.011 0.000 1.060 700 V CA -0.246 62.057 62.300 0.006 0.000 1.038 700 V CB 1.413 33.242 31.823 0.009 0.000 1.003 700 V HN 0.653 nan 8.190 nan 0.000 0.481 701 K N 3.097 123.499 120.400 0.004 0.000 2.502 701 K HA 0.532 4.851 4.320 -0.001 0.000 0.254 701 K C -1.286 175.311 176.600 -0.005 0.000 0.947 701 K CA -0.590 55.698 56.287 0.002 0.000 0.834 701 K CB 2.104 34.605 32.500 0.002 0.000 1.112 701 K HN 0.425 nan 8.250 nan 0.000 0.427 702 V N 2.778 122.688 119.914 -0.008 0.000 2.432 702 V HA 0.309 4.428 4.120 -0.001 0.000 0.271 702 V C 0.158 176.228 176.094 -0.040 0.000 1.046 702 V CA 0.062 62.351 62.300 -0.019 0.000 0.945 702 V CB 1.129 32.941 31.823 -0.018 0.000 0.992 702 V HN 0.864 nan 8.190 nan 0.000 0.471 703 T N 2.144 116.664 114.554 -0.057 0.000 3.047 703 T HA 0.229 4.579 4.350 -0.001 0.000 0.340 703 T C 0.025 174.663 174.700 -0.104 0.000 1.421 703 T CA -0.389 61.670 62.100 -0.068 0.000 1.090 703 T CB 1.548 70.398 68.868 -0.029 0.000 1.292 703 T HN 0.797 nan 8.240 nan 0.000 0.480 704 D N 2.641 122.956 120.400 -0.141 0.000 2.352 704 D HA 0.196 4.836 4.640 -0.001 0.000 0.232 704 D C 1.759 178.087 176.300 0.047 0.000 1.055 704 D CA 0.598 54.514 54.000 -0.139 0.000 0.891 704 D CB -0.219 40.478 40.800 -0.172 0.000 0.897 704 D HN 0.580 nan 8.370 nan 0.000 0.529 705 A N 0.423 123.271 122.820 0.046 0.000 2.019 705 A HA 0.058 4.377 4.320 -0.001 0.000 0.219 705 A C 1.287 178.948 177.584 0.130 0.000 1.164 705 A CA 1.068 53.158 52.037 0.089 0.000 0.644 705 A CB -0.649 18.386 19.000 0.057 0.000 0.805 705 A HN 0.331 nan 8.150 nan 0.000 0.449 706 V N -1.106 118.882 119.914 0.123 0.000 2.509 706 V HA 0.532 4.652 4.120 -0.001 0.000 0.284 706 V C 0.219 176.432 176.094 0.198 0.000 1.047 706 V CA -0.933 61.453 62.300 0.143 0.000 0.952 706 V CB 0.610 32.503 31.823 0.115 0.000 0.988 706 V HN 0.541 nan 8.190 nan 0.000 0.469 707 M N 1.575 121.258 119.600 0.138 0.000 2.245 707 M HA 0.370 4.849 4.480 -0.001 0.000 0.330 707 M C 0.201 176.494 176.300 -0.011 0.000 1.098 707 M CA -0.147 55.195 55.300 0.070 0.000 1.172 707 M CB 0.199 32.799 32.600 0.001 0.000 1.467 707 M HN 0.751 nan 8.290 nan 0.000 0.454 708 K N 1.226 121.473 120.400 -0.255 0.000 2.489 708 K HA 0.153 4.472 4.320 -0.001 0.000 0.278 708 K C 0.903 177.426 176.600 -0.129 0.000 1.000 708 K CA 1.381 57.441 56.287 -0.379 0.000 1.012 708 K CB 0.043 32.206 32.500 -0.562 0.000 0.903 708 K HN 1.030 nan 8.250 nan 0.000 0.485 709 G N 1.647 110.414 108.800 -0.055 0.000 2.175 709 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.244 709 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.244 709 G C -0.421 174.514 174.900 0.060 0.000 0.982 709 G CA 0.044 45.146 45.100 0.004 0.000 0.641 709 G HN 0.517 nan 8.290 nan 0.000 0.527 710 V N 2.289 122.245 119.914 0.070 0.000 2.656 710 V HA 0.764 4.883 4.120 -0.001 0.000 0.307 710 V C 0.399 176.555 176.094 0.103 0.000 1.051 710 V CA -0.512 61.859 62.300 0.119 0.000 0.893 710 V CB 1.978 33.874 31.823 0.122 0.000 0.999 710 V HN 0.709 nan 8.190 nan 0.000 0.426 711 I N 1.226 121.852 120.570 0.094 0.000 2.693 711 I HA 0.711 4.881 4.170 -0.001 0.000 0.303 711 I C -0.748 175.395 176.117 0.044 0.000 1.025 711 I CA -0.718 60.615 61.300 0.055 0.000 1.086 711 I CB 2.125 40.142 38.000 0.027 0.000 1.268 711 I HN 0.699 nan 8.210 nan 0.000 0.440 712 Q N 5.288 125.086 119.800 -0.003 0.000 2.357 712 Q HA 0.596 4.936 4.340 -0.001 0.000 0.266 712 Q C -1.839 174.081 176.000 -0.133 0.000 1.021 712 Q CA -0.615 55.155 55.803 -0.055 0.000 0.784 712 Q CB 1.798 30.471 28.738 -0.109 0.000 1.243 712 Q HN 0.802 nan 8.270 nan 0.000 0.465 713 I N 4.726 125.251 120.570 -0.074 0.000 2.448 713 I HA 0.277 4.446 4.170 -0.001 0.000 0.281 713 I C -0.699 175.457 176.117 0.065 0.000 1.027 713 I CA -0.749 60.523 61.300 -0.047 0.000 1.111 713 I CB 1.043 39.039 38.000 -0.007 0.000 1.236 713 I HN 0.624 nan 8.210 nan 0.000 0.452 714 Y N 3.743 124.088 120.300 0.074 0.000 2.457 714 Y HA 0.054 4.604 4.550 -0.001 0.000 0.341 714 Y C 1.073 177.036 175.900 0.104 0.000 1.240 714 Y CA -0.787 57.370 58.100 0.094 0.000 1.437 714 Y CB 0.726 39.226 38.460 0.066 0.000 1.328 714 Y HN 0.562 nan 8.280 nan 0.000 0.588 715 E N 0.218 120.589 120.200 0.285 0.000 2.392 715 E HA 0.455 4.804 4.350 -0.001 0.000 0.259 715 E C 0.837 177.559 176.600 0.202 0.000 1.108 715 E CA 0.095 56.614 56.400 0.197 0.000 0.916 715 E CB 0.904 30.687 29.700 0.138 0.000 0.989 715 E HN 0.770 nan 8.360 nan 0.000 0.432 716 G N 0.672 109.611 108.800 0.230 0.000 2.201 716 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.212 716 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.212 716 G C 0.509 175.668 174.900 0.432 0.000 0.994 716 G CA -0.345 44.935 45.100 0.300 0.000 0.644 716 G HN 0.947 nan 8.290 nan 0.000 0.508 717 G N -0.235 108.837 108.800 0.453 0.000 2.380 717 G HA2 0.337 4.296 3.960 -0.001 0.000 0.242 717 G HA3 0.337 4.296 3.960 -0.001 0.000 0.242 717 G C 0.126 175.457 174.900 0.718 0.000 1.298 717 G CA -0.186 45.322 45.100 0.680 0.000 0.878 717 G HN 0.274 nan 8.290 nan 0.000 0.542 718 W N 2.414 123.921 121.300 0.346 0.000 2.659 718 W HA 0.208 4.867 4.660 -0.001 0.000 0.342 718 W C 0.385 177.035 176.519 0.218 0.000 1.287 718 W CA -1.393 56.050 57.345 0.162 0.000 1.460 718 W CB -0.843 28.574 29.460 -0.071 0.000 1.503 718 W HN 0.470 nan 8.180 nan 0.000 0.483 719 Y N 3.889 124.360 120.300 0.285 0.000 2.944 719 Y HA -0.115 4.434 4.550 -0.001 0.000 0.340 719 Y C 0.286 176.272 175.900 0.144 0.000 1.275 719 Y CA 0.814 59.031 58.100 0.194 0.000 1.590 719 Y CB 0.202 38.728 38.460 0.111 0.000 1.218 719 Y HN 0.355 nan 8.280 nan 0.000 0.576 720 D N 9.043 129.342 120.400 -0.167 0.000 2.405 720 D HA 0.286 4.925 4.640 -0.001 0.000 0.264 720 D C -3.039 173.049 176.300 -0.352 0.000 1.240 720 D CA -2.113 51.734 54.000 -0.255 0.000 0.893 720 D CB 0.745 41.498 40.800 -0.078 0.000 1.198 720 D HN 0.262 nan 8.370 nan 0.000 0.514 721 P HA 0.045 nan 4.420 nan 0.000 0.268 721 P C 0.651 177.844 177.300 -0.179 0.000 1.204 721 P CA -0.109 62.747 63.100 -0.407 0.000 0.768 721 P CB 1.534 32.989 31.700 -0.409 0.000 0.842 722 S N 0.926 116.575 115.700 -0.084 0.000 2.383 722 S HA -0.099 4.371 4.470 -0.001 0.000 0.227 722 S C 0.699 175.273 174.600 -0.043 0.000 1.026 722 S CA 1.381 59.556 58.200 -0.042 0.000 0.981 722 S CB -0.305 62.895 63.200 0.000 0.000 0.818 722 S HN 0.650 nan 8.310 nan 0.000 0.472 723 D N -0.007 120.371 120.400 -0.036 0.000 2.452 723 D HA 0.149 4.788 4.640 -0.001 0.000 0.226 723 D C 0.652 176.944 176.300 -0.013 0.000 1.366 723 D CA -0.310 53.673 54.000 -0.030 0.000 0.986 723 D CB 1.174 41.968 40.800 -0.010 0.000 1.420 723 D HN -0.005 nan 8.370 nan 0.000 0.583 724 V N 2.087 121.984 119.914 -0.027 0.000 2.867 724 V HA -0.095 4.024 4.120 -0.001 0.000 0.260 724 V C 1.630 177.746 176.094 0.036 0.000 1.099 724 V CA 2.274 64.586 62.300 0.020 0.000 1.122 724 V CB -1.302 30.517 31.823 -0.007 0.000 0.708 724 V HN 0.662 nan 8.190 nan 0.000 0.490 725 T N -2.019 112.542 114.554 0.012 0.000 3.129 725 T HA 0.105 4.454 4.350 -0.001 0.000 0.251 725 T C 0.675 175.392 174.700 0.027 0.000 1.117 725 T CA 0.478 62.589 62.100 0.019 0.000 1.034 725 T CB -0.330 68.540 68.868 0.004 0.000 0.968 725 T HN 0.750 nan 8.240 nan 0.000 0.526 726 E N 2.561 122.780 120.200 0.032 0.000 2.081 726 E HA 0.328 4.677 4.350 -0.001 0.000 0.276 726 E C -2.757 173.872 176.600 0.049 0.000 0.950 726 E CA -2.901 53.520 56.400 0.035 0.000 0.776 726 E CB 1.012 30.730 29.700 0.029 0.000 1.094 726 E HN 0.149 nan 8.360 nan 0.000 0.402 727 P HA 0.054 nan 4.420 nan 0.000 0.264 727 P C 0.316 177.648 177.300 0.053 0.000 1.193 727 P CA 0.799 63.929 63.100 0.051 0.000 0.763 727 P CB 0.662 32.386 31.700 0.040 0.000 0.810 728 G N 1.634 110.471 108.800 0.062 0.000 2.153 728 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.252 728 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.252 728 G C 0.543 175.486 174.900 0.071 0.000 0.994 728 G CA 0.228 45.364 45.100 0.062 0.000 0.698 728 G HN 0.758 nan 8.290 nan 0.000 0.521 729 T N -0.090 114.513 114.554 0.082 0.000 2.934 729 T HA 0.246 4.595 4.350 -0.001 0.000 0.321 729 T C 0.814 175.564 174.700 0.084 0.000 1.080 729 T CA 0.360 62.504 62.100 0.073 0.000 1.132 729 T CB 0.225 69.132 68.868 0.064 0.000 1.039 729 T HN 1.055 nan 8.240 nan 0.000 0.543 730 L N 4.589 125.847 121.223 0.058 0.000 2.410 730 L HA 0.316 4.655 4.340 -0.001 0.000 0.273 730 L C 0.117 177.013 176.870 0.043 0.000 1.152 730 L CA -0.140 54.727 54.840 0.045 0.000 0.855 730 L CB 0.716 42.787 42.059 0.021 0.000 1.129 730 L HN 0.622 nan 8.230 nan 0.000 0.463 731 D N 3.514 123.963 120.400 0.082 0.000 2.312 731 D HA 0.116 4.755 4.640 -0.001 0.000 0.252 731 D C 0.511 176.844 176.300 0.055 0.000 1.150 731 D CA 0.116 54.173 54.000 0.095 0.000 0.870 731 D CB 1.011 41.966 40.800 0.258 0.000 1.153 731 D HN 0.601 nan 8.370 nan 0.000 0.457 732 K N 2.931 123.367 120.400 0.060 0.000 2.305 732 K HA -0.099 4.220 4.320 -0.001 0.000 0.199 732 K C 0.842 177.607 176.600 0.276 0.000 1.047 732 K CA 0.467 56.823 56.287 0.114 0.000 0.976 732 K CB 0.245 32.802 32.500 0.094 0.000 0.765 732 K HN 0.512 nan 8.250 nan 0.000 0.474 733 Y N 0.210 120.613 120.300 0.173 0.000 2.382 733 Y HA 0.196 4.745 4.550 -0.001 0.000 0.292 733 Y C 0.776 176.840 175.900 0.274 0.000 1.151 733 Y CA 1.019 59.278 58.100 0.264 0.000 1.198 733 Y CB 1.148 39.744 38.460 0.226 0.000 1.195 733 Y HN 0.020 nan 8.280 nan 0.000 0.530 734 G N 1.597 110.440 108.800 0.071 0.000 2.467 734 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.226 734 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.226 734 G C -1.598 173.396 174.900 0.157 0.000 1.162 734 G CA -0.241 44.837 45.100 -0.036 0.000 0.838 734 G HN 0.315 nan 8.290 nan 0.000 0.498 735 D N 0.751 121.312 120.400 0.270 0.000 2.365 735 D HA 0.328 4.967 4.640 -0.001 0.000 0.237 735 D C 1.362 177.737 176.300 0.125 0.000 1.190 735 D CA -0.084 54.070 54.000 0.257 0.000 0.867 735 D CB 1.551 42.526 40.800 0.292 0.000 1.050 735 D HN 0.166 nan 8.370 nan 0.000 0.491 736 V N 4.731 124.705 119.914 0.101 0.000 2.913 736 V HA -0.139 3.980 4.120 -0.001 0.000 0.260 736 V C 1.362 177.457 176.094 0.001 0.000 1.098 736 V CA 1.245 63.572 62.300 0.046 0.000 1.121 736 V CB -0.467 31.394 31.823 0.064 0.000 0.714 736 V HN 0.527 nan 8.190 nan 0.000 0.487 737 N N -0.200 118.491 118.700 -0.015 0.000 2.521 737 N HA -0.007 4.732 4.740 -0.001 0.000 0.188 737 N C 1.454 176.882 175.510 -0.137 0.000 1.146 737 N CA 0.842 53.843 53.050 -0.082 0.000 0.893 737 N CB 0.463 38.884 38.487 -0.110 0.000 0.975 737 N HN 0.423 nan 8.380 nan 0.000 0.451 738 V N 0.613 120.460 119.914 -0.111 0.000 2.809 738 V HA -0.073 4.046 4.120 -0.001 0.000 0.256 738 V C 1.909 177.951 176.094 -0.087 0.000 1.080 738 V CA 1.061 63.291 62.300 -0.116 0.000 1.102 738 V CB -0.178 31.631 31.823 -0.024 0.000 0.705 738 V HN 0.285 nan 8.190 nan 0.000 0.475 739 L N -0.309 120.864 121.223 -0.083 0.000 2.590 739 L HA 0.194 4.533 4.340 -0.001 0.000 0.227 739 L C 1.262 178.065 176.870 -0.111 0.000 1.099 739 L CA 0.031 54.811 54.840 -0.101 0.000 0.872 739 L CB -0.074 41.921 42.059 -0.108 0.000 1.088 739 L HN 0.387 nan 8.230 nan 0.000 0.479 740 S N 0.393 116.031 115.700 -0.103 0.000 2.632 740 S HA 0.653 5.122 4.470 -0.001 0.000 0.267 740 S C 0.074 174.607 174.600 -0.112 0.000 1.276 740 S CA -0.643 57.496 58.200 -0.101 0.000 0.998 740 S CB 1.915 65.063 63.200 -0.086 0.000 0.953 740 S HN 0.113 nan 8.310 nan 0.000 0.547 741 A N 0.379 123.134 122.820 -0.108 0.000 2.295 741 A HA 0.546 4.865 4.320 -0.001 0.000 0.318 741 A C -0.330 177.173 177.584 -0.134 0.000 1.134 741 A CA -0.620 51.349 52.037 -0.113 0.000 0.827 741 A CB 0.482 19.414 19.000 -0.113 0.000 1.136 741 A HN 0.833 nan 8.150 nan 0.000 0.493 742 D N 1.647 121.970 120.400 -0.129 0.000 2.505 742 D HA 0.465 5.104 4.640 -0.001 0.000 0.242 742 D C -0.403 175.833 176.300 -0.106 0.000 1.136 742 D CA -0.069 53.849 54.000 -0.136 0.000 0.954 742 D CB -0.329 40.406 40.800 -0.107 0.000 1.002 742 D HN 0.511 nan 8.370 nan 0.000 0.512 743 I N -1.102 119.393 120.570 -0.126 0.000 3.042 743 I HA 0.834 5.003 4.170 -0.001 0.000 0.310 743 I C 0.333 176.385 176.117 -0.109 0.000 1.117 743 I CA -1.416 59.805 61.300 -0.131 0.000 1.003 743 I CB 2.114 39.980 38.000 -0.223 0.000 1.228 743 I HN 0.153 nan 8.210 nan 0.000 0.443 744 G N 0.997 109.752 108.800 -0.075 0.000 2.448 744 G HA2 0.397 4.356 3.960 -0.001 0.000 0.285 744 G HA3 0.397 4.356 3.960 -0.001 0.000 0.285 744 G C 0.890 175.787 174.900 -0.005 0.000 1.176 744 G CA 0.139 45.217 45.100 -0.037 0.000 0.852 744 G HN 0.920 nan 8.290 nan 0.000 0.530 745 T N -1.718 112.846 114.554 0.017 0.000 2.699 745 T HA 0.006 4.355 4.350 -0.001 0.000 0.268 745 T C 1.241 175.970 174.700 0.048 0.000 1.036 745 T CA 1.613 63.744 62.100 0.051 0.000 1.147 745 T CB -0.440 68.455 68.868 0.045 0.000 0.862 745 T HN 1.629 nan 8.240 nan 0.000 0.446 746 S N -0.872 114.847 115.700 0.031 0.000 2.660 746 S HA 0.378 4.847 4.470 -0.001 0.000 0.264 746 S C -0.122 174.439 174.600 -0.064 0.000 1.131 746 S CA -0.955 57.250 58.200 0.008 0.000 0.846 746 S CB 1.121 64.348 63.200 0.044 0.000 1.151 746 S HN 0.117 nan 8.310 nan 0.000 0.486 747 K N -0.201 120.063 120.400 -0.226 0.000 2.365 747 K HA 0.134 4.453 4.320 -0.001 0.000 0.199 747 K C 1.678 178.044 176.600 -0.390 0.000 1.045 747 K CA 0.828 56.827 56.287 -0.482 0.000 0.962 747 K CB -0.431 31.361 32.500 -1.179 0.000 0.759 747 K HN 0.424 nan 8.250 nan 0.000 0.469 748 L N 0.734 121.879 121.223 -0.131 0.000 1.961 748 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 748 L C 2.096 178.918 176.870 -0.079 0.000 1.072 748 L CA 2.032 56.880 54.840 0.014 0.000 0.749 748 L CB -0.359 41.729 42.059 0.048 0.000 0.889 748 L HN 0.098 nan 8.230 nan 0.000 0.432 749 A N -2.944 119.892 122.820 0.027 0.000 2.115 749 A HA 0.065 4.384 4.320 -0.001 0.000 0.211 749 A C 0.804 178.581 177.584 0.321 0.000 1.169 749 A CA 0.241 52.374 52.037 0.160 0.000 0.787 749 A CB 0.078 19.140 19.000 0.102 0.000 0.858 749 A HN 0.569 nan 8.150 nan 0.000 0.474 750 Q N -0.878 119.030 119.800 0.181 0.000 2.475 750 Q HA -0.173 4.166 4.340 -0.001 0.000 0.280 750 Q C 0.515 176.529 176.000 0.023 0.000 1.234 750 Q CA 0.856 56.727 55.803 0.112 0.000 0.873 750 Q CB -2.493 26.341 28.738 0.159 0.000 1.256 750 Q HN 0.766 nan 8.270 nan 0.000 0.475 751 G N 1.060 109.865 108.800 0.010 0.000 2.599 751 G HA2 0.340 4.299 3.960 -0.001 0.000 0.264 751 G HA3 0.340 4.299 3.960 -0.001 0.000 0.264 751 G C 0.311 175.144 174.900 -0.113 0.000 1.200 751 G CA -0.001 45.062 45.100 -0.063 0.000 0.896 751 G HN 0.484 nan 8.290 nan 0.000 0.536 752 N N -2.363 116.219 118.700 -0.196 0.000 2.513 752 N HA 0.265 5.004 4.740 -0.001 0.000 0.274 752 N C -0.205 175.283 175.510 -0.036 0.000 1.189 752 N CA -0.570 52.386 53.050 -0.158 0.000 0.975 752 N CB 1.383 39.735 38.487 -0.224 0.000 1.157 752 N HN 0.206 nan 8.380 nan 0.000 0.465 753 C N 2.019 121.299 119.300 -0.033 0.000 2.513 753 C HA 0.445 4.904 4.460 -0.001 0.000 0.281 753 C C 1.817 176.821 174.990 0.022 0.000 1.501 753 C CA -0.704 58.319 59.018 0.007 0.000 1.749 753 C CB -0.955 26.765 27.740 -0.033 0.000 2.955 753 C HN 1.005 nan 8.230 nan 0.000 0.532 754 G N 0.422 109.256 108.800 0.056 0.000 2.527 754 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.219 754 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.219 754 G C 1.305 176.258 174.900 0.087 0.000 1.117 754 G CA 0.704 45.844 45.100 0.067 0.000 0.759 754 G HN 0.707 nan 8.290 nan 0.000 0.556 755 Q N -0.267 119.608 119.800 0.125 0.000 2.172 755 Q HA 0.096 4.435 4.340 -0.001 0.000 0.217 755 Q C -0.144 175.956 176.000 0.166 0.000 0.832 755 Q CA -0.042 55.857 55.803 0.161 0.000 1.010 755 Q CB 0.845 29.730 28.738 0.244 0.000 1.133 755 Q HN 0.162 nan 8.270 nan 0.000 0.489 756 T N 1.484 116.097 114.554 0.099 0.000 3.281 756 T HA 0.341 4.690 4.350 -0.001 0.000 0.359 756 T C -0.653 174.043 174.700 -0.007 0.000 1.459 756 T CA -0.038 62.123 62.100 0.103 0.000 1.114 756 T CB 0.272 69.189 68.868 0.083 0.000 1.162 756 T HN -0.129 nan 8.240 nan 0.000 0.665 757 V N 4.562 124.400 119.914 -0.125 0.000 2.612 757 V HA 0.492 4.612 4.120 -0.001 0.000 0.301 757 V C -0.482 175.468 176.094 -0.241 0.000 1.059 757 V CA -0.957 61.235 62.300 -0.179 0.000 0.886 757 V CB 1.971 33.673 31.823 -0.202 0.000 1.007 757 V HN 0.610 nan 8.190 nan 0.000 0.426 758 L N 3.724 124.879 121.223 -0.114 0.000 2.334 758 L HA 1.028 5.367 4.340 -0.001 0.000 0.273 758 L C 0.216 176.993 176.870 -0.154 0.000 1.013 758 L CA -0.461 54.344 54.840 -0.057 0.000 0.816 758 L CB 1.979 44.091 42.059 0.088 0.000 1.278 758 L HN 0.845 nan 8.230 nan 0.000 0.431 759 A N 1.712 124.449 122.820 -0.139 0.000 2.568 759 A HA 0.730 5.049 4.320 -0.001 0.000 0.291 759 A C -1.646 175.851 177.584 -0.145 0.000 1.159 759 A CA -0.459 51.376 52.037 -0.336 0.000 0.679 759 A CB 2.039 20.852 19.000 -0.312 0.000 1.285 759 A HN 0.598 nan 8.150 nan 0.000 0.428 760 E N -0.629 119.397 120.200 -0.291 0.000 2.221 760 E HA 0.686 5.035 4.350 -0.001 0.000 0.268 760 E C -1.553 174.945 176.600 -0.171 0.000 0.933 760 E CA -0.420 55.883 56.400 -0.161 0.000 0.809 760 E CB 1.908 31.529 29.700 -0.131 0.000 1.190 760 E HN 0.617 nan 8.360 nan 0.000 0.406 761 V N 3.393 123.309 119.914 0.003 0.000 2.656 761 V HA 0.509 4.628 4.120 -0.001 0.000 0.307 761 V C -0.734 175.439 176.094 0.133 0.000 1.051 761 V CA -0.697 61.647 62.300 0.072 0.000 0.893 761 V CB 1.563 33.411 31.823 0.042 0.000 0.999 761 V HN 0.810 nan 8.190 nan 0.000 0.426 762 E N 2.651 122.951 120.200 0.165 0.000 2.367 762 E HA 0.499 4.848 4.350 -0.001 0.000 0.273 762 E C -1.031 175.637 176.600 0.114 0.000 0.903 762 E CA -1.157 55.325 56.400 0.137 0.000 0.764 762 E CB 2.501 32.291 29.700 0.150 0.000 1.252 762 E HN 0.464 nan 8.360 nan 0.000 0.446 763 K N 1.694 122.146 120.400 0.086 0.000 2.484 763 K HA -0.057 4.262 4.320 -0.001 0.000 0.280 763 K C -0.927 175.743 176.600 0.118 0.000 1.013 763 K CA -0.175 56.162 56.287 0.084 0.000 1.029 763 K CB 0.254 32.785 32.500 0.052 0.000 0.902 763 K HN 0.513 nan 8.250 nan 0.000 0.481 764 Y N 3.631 123.923 120.300 -0.012 0.000 2.465 764 Y HA 0.002 4.552 4.550 -0.001 0.000 0.331 764 Y C 0.706 176.598 175.900 -0.013 0.000 1.102 764 Y CA 0.408 58.496 58.100 -0.021 0.000 1.358 764 Y CB 0.735 39.169 38.460 -0.044 0.000 1.213 764 Y HN 0.697 nan 8.280 nan 0.000 0.525 765 T N 1.875 116.141 114.554 -0.481 0.000 3.231 765 T HA 0.443 4.792 4.350 -0.001 0.000 0.292 765 T C 0.589 174.930 174.700 -0.598 0.000 1.001 765 T CA 0.014 61.845 62.100 -0.448 0.000 0.920 765 T CB -0.472 68.281 68.868 -0.193 0.000 1.140 765 T HN 0.731 nan 8.240 nan 0.000 0.525 766 G N 2.416 110.521 108.800 -1.159 0.000 2.532 766 G HA2 0.643 4.602 3.960 -0.001 0.000 0.291 766 G HA3 0.643 4.602 3.960 -0.001 0.000 0.291 766 G C -2.370 172.277 174.900 -0.422 0.000 1.349 766 G CA -1.562 43.187 45.100 -0.586 0.000 1.038 766 G HN 0.281 nan 8.290 nan 0.000 0.518 767 P HA 0.312 nan 4.420 nan 0.000 0.269 767 P C 0.134 177.516 177.300 0.137 0.000 1.209 767 P CA -0.067 63.047 63.100 0.022 0.000 0.776 767 P CB 0.697 32.433 31.700 0.060 0.000 0.876 768 A N 2.388 125.270 122.820 0.103 0.000 2.475 768 A HA 0.324 4.644 4.320 -0.001 0.000 0.239 768 A C -0.031 177.654 177.584 0.167 0.000 1.087 768 A CA -0.009 52.124 52.037 0.159 0.000 0.779 768 A CB 0.019 19.079 19.000 0.100 0.000 1.036 768 A HN 0.417 nan 8.150 nan 0.000 0.506 769 V N 0.186 120.204 119.914 0.173 0.000 2.841 769 V HA 0.496 4.615 4.120 -0.001 0.000 0.310 769 V C -0.150 176.003 176.094 0.098 0.000 1.090 769 V CA -0.407 61.973 62.300 0.134 0.000 0.930 769 V CB 2.523 34.450 31.823 0.174 0.000 1.014 769 V HN 0.976 nan 8.190 nan 0.000 0.425 770 T N 5.859 120.448 114.554 0.059 0.000 2.758 770 T HA 0.548 4.897 4.350 -0.001 0.000 0.285 770 T C -0.259 174.454 174.700 0.022 0.000 0.981 770 T CA -0.270 61.851 62.100 0.034 0.000 0.965 770 T CB 0.666 69.543 68.868 0.016 0.000 0.927 770 T HN 0.373 nan 8.240 nan 0.000 0.448 771 L N 3.838 125.076 121.223 0.024 0.000 2.410 771 L HA 0.262 4.601 4.340 -0.001 0.000 0.273 771 L C 1.527 178.385 176.870 -0.020 0.000 1.144 771 L CA -0.198 54.655 54.840 0.022 0.000 0.863 771 L CB 0.404 42.518 42.059 0.091 0.000 1.140 771 L HN 0.811 nan 8.230 nan 0.000 0.463 772 T N -2.687 111.817 114.554 -0.083 0.000 3.040 772 T HA 0.098 4.447 4.350 -0.001 0.000 0.266 772 T C 1.432 176.021 174.700 -0.185 0.000 1.005 772 T CA 0.249 62.283 62.100 -0.110 0.000 0.906 772 T CB 0.635 69.437 68.868 -0.110 0.000 1.082 772 T HN 0.671 nan 8.240 nan 0.000 0.531 773 G N 0.774 109.368 108.800 -0.342 0.000 2.712 773 G HA2 0.161 4.121 3.960 -0.001 0.000 0.212 773 G HA3 0.161 4.121 3.960 -0.001 0.000 0.212 773 G C 0.538 175.154 174.900 -0.472 0.000 1.142 773 G CA -0.120 44.698 45.100 -0.470 0.000 0.789 773 G HN 0.587 nan 8.290 nan 0.000 0.535 774 F N 0.694 120.668 119.950 0.040 0.000 2.684 774 F HA 0.381 4.907 4.527 -0.001 0.000 0.298 774 F C 0.350 176.163 175.800 0.021 0.000 1.120 774 F CA -0.732 57.277 58.000 0.015 0.000 1.332 774 F CB 0.675 39.604 39.000 -0.119 0.000 0.986 774 F HN -0.011 nan 8.300 nan 0.000 0.524 775 V N -2.236 117.733 119.914 0.091 0.000 2.962 775 V HA 0.911 5.030 4.120 -0.001 0.000 0.313 775 V C -0.010 176.044 176.094 -0.066 0.000 1.099 775 V CA -1.676 60.644 62.300 0.034 0.000 0.971 775 V CB 1.042 32.862 31.823 -0.006 0.000 1.028 775 V HN 0.007 nan 8.190 nan 0.000 0.430 776 A N 2.924 125.674 122.820 -0.116 0.000 2.406 776 A HA 0.719 5.038 4.320 -0.001 0.000 0.243 776 A C -2.181 175.118 177.584 -0.475 0.000 1.082 776 A CA -1.109 50.677 52.037 -0.419 0.000 0.786 776 A CB -0.825 18.017 19.000 -0.262 0.000 1.029 776 A HN 0.877 nan 8.150 nan 0.000 0.495 777 P HA 0.058 nan 4.420 nan 0.000 0.265 777 P C 0.407 177.543 177.300 -0.274 0.000 1.187 777 P CA 0.035 62.846 63.100 -0.481 0.000 0.766 777 P CB 0.448 31.793 31.700 -0.592 0.000 0.820 778 K N 3.017 123.322 120.400 -0.158 0.000 2.059 778 K HA -0.213 4.106 4.320 -0.001 0.000 0.212 778 K C 1.968 178.536 176.600 -0.054 0.000 1.050 778 K CA 2.302 58.535 56.287 -0.091 0.000 0.927 778 K CB -0.956 31.506 32.500 -0.065 0.000 0.714 778 K HN 0.526 nan 8.250 nan 0.000 0.447 779 A N -0.186 122.615 122.820 -0.032 0.000 2.067 779 A HA 0.020 4.340 4.320 -0.001 0.000 0.219 779 A C 1.921 179.536 177.584 0.050 0.000 1.158 779 A CA 1.617 53.663 52.037 0.015 0.000 0.661 779 A CB -0.449 18.583 19.000 0.054 0.000 0.801 779 A HN 0.312 nan 8.150 nan 0.000 0.452 780 A N -1.068 121.761 122.820 0.014 0.000 2.337 780 A HA 0.511 4.830 4.320 -0.001 0.000 0.227 780 A C 1.005 178.641 177.584 0.086 0.000 1.259 780 A CA 0.918 53.024 52.037 0.115 0.000 0.870 780 A CB -0.799 18.247 19.000 0.077 0.000 0.927 780 A HN 0.668 nan 8.150 nan 0.000 0.497 781 E N 0.000 120.224 120.200 0.040 0.000 2.725 781 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 781 E CA 0.000 56.413 56.400 0.021 0.000 0.976 781 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440