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 1e60_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 AGITDGGAAT KGPEWLAASG ASVIPVARVV DATA SEQUENCE DMLENPGAEF DFNGTRSKFP DVKMAYWVGG NPFVHHQDRN RMVKAWEKLE DATA SEQUENCE TFVVHDFQWT PTARHADIVL PATTSYERND IETIGDYSNT GILAMKKIVE DATA SEQUENCE PLYEARSDYD IFAAVAERLG KGAEFTEGKD EMGWIKSFYD DAAKQGKAAG DATA SEQUENCE VEMPAFDAFW 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 0.000 177.591 177.584 0.012 0.000 1.274 4 A CA 0.000 52.044 52.037 0.013 0.000 0.836 4 A CB 0.000 19.012 19.000 0.021 0.000 0.831 5 N N 1.625 120.330 118.700 0.008 0.000 2.617 5 N HA 0.618 5.358 4.740 -0.001 0.000 0.263 5 N C 0.024 175.537 175.510 0.006 0.000 1.074 5 N CA 0.415 53.469 53.050 0.007 0.000 0.841 5 N CB 2.076 40.564 38.487 0.001 0.000 1.221 5 N HN 1.124 nan 8.380 nan 0.000 0.529 6 G N 0.033 108.840 108.800 0.011 0.000 2.578 6 G HA2 0.452 4.411 3.960 -0.001 0.000 0.302 6 G HA3 0.452 4.411 3.960 -0.001 0.000 0.302 6 G C -1.316 173.590 174.900 0.011 0.000 1.243 6 G CA -0.373 44.731 45.100 0.006 0.000 0.843 6 G HN 0.236 nan 8.290 nan 0.000 0.486 7 T N -2.509 112.044 114.554 -0.002 0.000 2.876 7 T HA 0.745 5.094 4.350 -0.001 0.000 0.289 7 T C -1.188 173.492 174.700 -0.033 0.000 1.014 7 T CA -0.733 61.365 62.100 -0.003 0.000 0.986 7 T CB 1.909 70.774 68.868 -0.006 0.000 1.021 7 T HN 1.054 nan 8.240 nan 0.000 0.458 8 V N 3.624 123.511 119.914 -0.045 0.000 2.808 8 V HA 0.551 4.670 4.120 -0.001 0.000 0.308 8 V C -0.349 175.624 176.094 -0.201 0.000 1.099 8 V CA -0.977 61.260 62.300 -0.106 0.000 0.920 8 V CB 2.033 33.816 31.823 -0.068 0.000 1.014 8 V HN 1.132 nan 8.190 nan 0.000 0.425 9 M N 3.440 122.866 119.600 -0.290 0.000 2.318 9 M HA 0.757 5.236 4.480 -0.001 0.000 0.347 9 M C -0.168 175.787 176.300 -0.575 0.000 1.175 9 M CA 0.582 55.616 55.300 -0.445 0.000 1.075 9 M CB 1.611 33.968 32.600 -0.405 0.000 1.614 9 M HN 0.801 nan 8.290 nan 0.000 0.456 10 S N 2.007 117.167 115.700 -0.900 0.000 2.843 10 S HA 0.969 5.438 4.470 -0.001 0.000 0.301 10 S C -0.954 173.056 174.600 -0.983 0.000 1.206 10 S CA -0.225 57.493 58.200 -0.804 0.000 0.875 10 S CB 1.686 64.558 63.200 -0.546 0.000 1.248 10 S HN 1.039 nan 8.310 nan 0.000 0.555 11 G N 0.246 108.750 108.800 -0.495 0.000 2.682 11 G HA2 0.711 4.671 3.960 -0.001 0.000 0.290 11 G HA3 0.711 4.671 3.960 -0.001 0.000 0.290 11 G C -0.999 174.057 174.900 0.259 0.000 1.425 11 G CA 0.234 45.240 45.100 -0.156 0.000 0.807 11 G HN 1.564 nan 8.290 nan 0.000 0.482 12 S N -2.178 113.729 115.700 0.344 0.000 2.724 12 S HA 0.393 4.862 4.470 -0.001 0.000 0.278 12 S C 0.078 174.851 174.600 0.288 0.000 1.190 12 S CA -0.579 57.890 58.200 0.448 0.000 0.860 12 S CB 1.098 64.821 63.200 0.870 0.000 1.206 12 S HN 0.537 nan 8.310 nan 0.000 0.507 13 H N -0.251 118.957 119.070 0.230 0.000 2.546 13 H HA 0.124 4.679 4.556 -0.001 0.000 0.277 13 H C 0.448 175.691 175.328 -0.143 0.000 1.004 13 H CA 1.035 57.017 56.048 -0.110 0.000 1.231 13 H CB 0.045 29.522 29.762 -0.475 0.000 1.382 13 H HN 0.573 nan 8.280 nan 0.000 0.580 14 W N 0.751 122.254 121.300 0.339 0.000 3.211 14 W HA 0.355 5.014 4.660 -0.001 0.000 0.292 14 W C 0.552 177.266 176.519 0.325 0.000 1.268 14 W CA 0.715 58.246 57.345 0.309 0.000 1.702 14 W CB 0.990 30.600 29.460 0.249 0.000 1.092 14 W HN 0.185 nan 8.180 nan 0.000 0.643 15 G N 0.090 109.155 108.800 0.443 0.000 2.354 15 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.582 15 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.582 15 G C -1.358 173.734 174.900 0.319 0.000 1.316 15 G CA -1.237 44.049 45.100 0.310 0.000 0.995 15 G HN -0.209 nan 8.290 nan 0.000 0.573 16 V N 0.726 120.752 119.914 0.187 0.000 2.649 16 V HA 0.739 4.858 4.120 -0.001 0.000 0.292 16 V C 0.427 176.588 176.094 0.113 0.000 1.055 16 V CA 0.837 63.099 62.300 -0.063 0.000 1.023 16 V CB 0.277 31.833 31.823 -0.444 0.000 0.992 16 V HN 1.361 nan 8.190 nan 0.000 0.480 17 F N 0.846 120.717 119.950 -0.133 0.000 2.741 17 F HA 0.732 5.258 4.527 -0.001 0.000 0.313 17 F C -0.631 175.047 175.800 -0.203 0.000 1.153 17 F CA -0.921 57.013 58.000 -0.111 0.000 0.931 17 F CB 1.717 40.619 39.000 -0.165 0.000 1.335 17 F HN 0.218 nan 8.300 nan 0.000 0.460 18 T N 1.728 116.342 114.554 0.101 0.000 2.792 18 T HA 0.754 5.104 4.350 -0.001 0.000 0.280 18 T C -0.482 174.298 174.700 0.133 0.000 0.990 18 T CA -0.391 61.703 62.100 -0.010 0.000 0.960 18 T CB 1.225 70.101 68.868 0.013 0.000 0.939 18 T HN 0.926 nan 8.240 nan 0.000 0.439 19 A N 3.056 125.919 122.820 0.072 0.000 2.306 19 A HA 0.689 5.008 4.320 -0.001 0.000 0.314 19 A C 0.393 178.059 177.584 0.137 0.000 1.164 19 A CA -0.590 51.562 52.037 0.192 0.000 0.822 19 A CB 0.448 19.578 19.000 0.216 0.000 1.130 19 A HN 0.693 nan 8.150 nan 0.000 0.496 20 T N 1.919 116.568 114.554 0.158 0.000 2.767 20 T HA 0.497 4.846 4.350 -0.001 0.000 0.288 20 T C -0.287 174.467 174.700 0.090 0.000 0.963 20 T CA -0.159 61.995 62.100 0.090 0.000 1.019 20 T CB 0.790 69.697 68.868 0.064 0.000 0.923 20 T HN 0.422 nan 8.240 nan 0.000 0.468 21 V N 4.043 123.995 119.914 0.063 0.000 2.495 21 V HA 0.480 4.600 4.120 -0.001 0.000 0.298 21 V C -0.217 175.893 176.094 0.028 0.000 1.031 21 V CA -0.845 61.490 62.300 0.058 0.000 0.871 21 V CB 1.786 33.648 31.823 0.064 0.000 0.988 21 V HN 0.874 nan 8.190 nan 0.000 0.432 22 E N 3.958 124.166 120.200 0.013 0.000 2.255 22 E HA 0.394 4.743 4.350 -0.001 0.000 0.256 22 E C -0.727 175.867 176.600 -0.008 0.000 0.887 22 E CA -0.751 55.648 56.400 -0.003 0.000 0.782 22 E CB 1.182 30.873 29.700 -0.015 0.000 1.214 22 E HN 0.671 nan 8.360 nan 0.000 0.417 23 N N 2.313 121.011 118.700 -0.003 0.000 2.688 23 N HA -0.228 4.512 4.740 -0.001 0.000 0.258 23 N C 0.682 176.192 175.510 0.000 0.000 1.016 23 N CA 1.326 54.374 53.050 -0.004 0.000 0.747 23 N CB -0.914 37.567 38.487 -0.011 0.000 0.895 23 N HN 1.094 nan 8.380 nan 0.000 0.543 24 G N -0.477 108.331 108.800 0.014 0.000 2.175 24 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.265 24 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.265 24 G C 0.126 175.057 174.900 0.052 0.000 0.979 24 G CA 0.967 46.084 45.100 0.030 0.000 0.663 24 G HN 0.773 nan 8.290 nan 0.000 0.533 25 R N 0.179 120.700 120.500 0.036 0.000 2.562 25 R HA 0.701 5.040 4.340 -0.001 0.000 0.298 25 R C 0.380 176.717 176.300 0.061 0.000 0.961 25 R CA -0.107 56.017 56.100 0.040 0.000 0.881 25 R CB 1.040 31.269 30.300 -0.118 0.000 1.159 25 R HN 0.578 nan 8.270 nan 0.000 0.450 26 A N 2.436 125.366 122.820 0.184 0.000 2.409 26 A HA 0.203 4.522 4.320 -0.001 0.000 0.267 26 A C 0.837 178.438 177.584 0.029 0.000 1.127 26 A CA -0.026 52.119 52.037 0.181 0.000 0.795 26 A CB 0.461 19.661 19.000 0.334 0.000 1.061 26 A HN 0.943 nan 8.150 nan 0.000 0.502 27 T N -1.036 113.524 114.554 0.011 0.000 2.985 27 T HA 0.580 4.929 4.350 -0.001 0.000 0.254 27 T C 0.334 175.000 174.700 -0.058 0.000 1.021 27 T CA 0.624 62.685 62.100 -0.065 0.000 0.957 27 T CB 0.116 68.951 68.868 -0.054 0.000 1.047 27 T HN 1.808 nan 8.240 nan 0.000 0.511 28 A N 0.808 123.640 122.820 0.019 0.000 2.577 28 A HA 0.642 4.961 4.320 -0.001 0.000 0.297 28 A C -1.980 175.750 177.584 0.244 0.000 1.060 28 A CA -0.741 51.316 52.037 0.033 0.000 0.697 28 A CB 0.963 19.985 19.000 0.037 0.000 1.281 28 A HN 0.158 nan 8.150 nan 0.000 0.402 29 F N 1.506 121.388 119.950 -0.113 0.000 2.427 29 F HA 0.598 5.125 4.527 -0.001 0.000 0.348 29 F C 0.433 176.206 175.800 -0.044 0.000 1.125 29 F CA -0.705 57.214 58.000 -0.135 0.000 0.989 29 F CB 2.060 40.764 39.000 -0.493 0.000 1.165 29 F HN 0.445 nan 8.300 nan 0.000 0.442 30 T N 5.715 120.401 114.554 0.219 0.000 2.797 30 T HA 0.426 4.776 4.350 -0.001 0.000 0.279 30 T C -2.609 172.211 174.700 0.199 0.000 0.991 30 T CA -1.648 60.544 62.100 0.153 0.000 0.979 30 T CB 1.779 70.714 68.868 0.112 0.000 0.943 30 T HN 0.096 nan 8.240 nan 0.000 0.444 31 P HA 0.047 nan 4.420 nan 0.000 0.269 31 P C -0.308 177.154 177.300 0.271 0.000 1.209 31 P CA -0.697 62.547 63.100 0.240 0.000 0.776 31 P CB 0.399 32.202 31.700 0.172 0.000 0.876 32 W N 4.244 125.593 121.300 0.082 0.000 2.377 32 W HA -0.067 4.592 4.660 -0.001 0.000 0.341 32 W C 1.550 178.087 176.519 0.030 0.000 1.240 32 W CA -0.045 57.317 57.345 0.028 0.000 1.311 32 W CB -0.102 29.370 29.460 0.020 0.000 1.175 32 W HN 0.628 nan 8.180 nan 0.000 0.571 33 E N 2.799 123.012 120.200 0.022 0.000 2.268 33 E HA -0.197 4.153 4.350 -0.001 0.000 0.195 33 E C 0.941 177.312 176.600 -0.382 0.000 0.995 33 E CA 1.375 57.691 56.400 -0.140 0.000 0.836 33 E CB -0.078 29.582 29.700 -0.067 0.000 0.763 33 E HN 0.565 nan 8.360 nan 0.000 0.491 34 K N 0.856 120.695 120.400 -0.934 0.000 2.387 34 K HA 0.059 4.378 4.320 -0.001 0.000 0.198 34 K C 0.007 176.170 176.600 -0.728 0.000 1.022 34 K CA -0.062 55.630 56.287 -0.993 0.000 1.128 34 K CB 0.331 31.922 32.500 -1.515 0.000 0.853 34 K HN 0.045 nan 8.250 nan 0.000 0.523 35 D N 2.049 122.232 120.400 -0.362 0.000 2.325 35 D HA 0.032 4.671 4.640 -0.001 0.000 0.251 35 D C -1.444 174.866 176.300 0.018 0.000 1.196 35 D CA -2.115 51.900 54.000 0.025 0.000 0.866 35 D CB 1.439 42.414 40.800 0.291 0.000 1.101 35 D HN -0.031 nan 8.370 nan 0.000 0.476 36 P HA -0.054 nan 4.420 nan 0.000 0.229 36 P C -0.174 177.183 177.300 0.095 0.000 1.160 36 P CA 0.674 63.812 63.100 0.063 0.000 0.777 36 P CB 0.295 32.053 31.700 0.097 0.000 0.814 37 H N -1.124 117.915 119.070 -0.051 0.000 2.734 37 H HA 0.322 4.877 4.556 -0.001 0.000 0.247 37 H C -2.804 172.245 175.328 -0.464 0.000 1.415 37 H CA -1.553 54.307 56.048 -0.313 0.000 1.514 37 H CB 0.458 29.852 29.762 -0.614 0.000 1.841 37 H HN -0.104 nan 8.280 nan 0.000 0.609 38 P HA 0.045 nan 4.420 nan 0.000 0.270 38 P C -0.225 176.922 177.300 -0.256 0.000 1.223 38 P CA -0.152 62.863 63.100 -0.142 0.000 0.785 38 P CB 1.149 32.850 31.700 0.001 0.000 0.923 39 S N 1.255 116.913 115.700 -0.069 0.000 2.508 39 S HA 0.384 4.854 4.470 -0.001 0.000 0.284 39 S C -1.709 172.907 174.600 0.026 0.000 1.192 39 S CA -1.709 56.492 58.200 0.003 0.000 1.070 39 S CB 0.079 63.407 63.200 0.213 0.000 1.004 39 S HN 0.180 nan 8.310 nan 0.000 0.493 40 P HA 0.025 nan 4.420 nan 0.000 0.228 40 P C 1.035 178.326 177.300 -0.015 0.000 1.151 40 P CA 0.960 64.060 63.100 0.001 0.000 0.770 40 P CB 0.063 31.781 31.700 0.030 0.000 0.786 41 M N -1.700 117.902 119.600 0.004 0.000 2.557 41 M HA -0.052 4.428 4.480 -0.001 0.000 0.259 41 M C 1.699 177.785 176.300 -0.358 0.000 1.086 41 M CA 0.965 56.186 55.300 -0.132 0.000 1.096 41 M CB -0.573 31.990 32.600 -0.061 0.000 1.424 41 M HN -0.007 nan 8.290 nan 0.000 0.488 42 L N -0.105 120.974 121.223 -0.240 0.000 2.081 42 L HA -0.249 4.091 4.340 -0.001 0.000 0.212 42 L C 2.777 179.452 176.870 -0.325 0.000 1.080 42 L CA 1.339 56.018 54.840 -0.269 0.000 0.754 42 L CB -0.821 41.181 42.059 -0.095 0.000 0.893 42 L HN 0.343 nan 8.230 nan 0.000 0.433 43 A N 0.087 122.757 122.820 -0.250 0.000 1.908 43 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 43 A C 2.367 179.763 177.584 -0.314 0.000 1.181 43 A CA 1.858 53.736 52.037 -0.265 0.000 0.627 43 A CB -1.127 17.769 19.000 -0.173 0.000 0.818 43 A HN 0.466 nan 8.150 nan 0.000 0.445 44 G N -0.816 107.810 108.800 -0.291 0.000 2.421 44 G HA2 0.011 3.970 3.960 -0.001 0.000 0.217 44 G HA3 0.011 3.970 3.960 -0.001 0.000 0.217 44 G C 1.458 176.160 174.900 -0.330 0.000 1.143 44 G CA 1.028 45.970 45.100 -0.263 0.000 0.784 44 G HN 0.308 nan 8.290 nan 0.000 0.541 45 V N 1.116 120.727 119.914 -0.504 0.000 2.255 45 V HA -0.195 3.924 4.120 -0.001 0.000 0.247 45 V C 2.676 178.488 176.094 -0.470 0.000 1.051 45 V CA 1.808 63.808 62.300 -0.499 0.000 1.018 45 V CB -0.669 30.788 31.823 -0.610 0.000 0.641 45 V HN 0.388 nan 8.190 nan 0.000 0.445 46 L N 0.905 121.614 121.223 -0.857 0.000 2.012 46 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 46 L C 2.102 178.715 176.870 -0.429 0.000 1.073 46 L CA 2.640 56.797 54.840 -1.139 0.000 0.748 46 L CB -1.022 40.157 42.059 -1.467 0.000 0.891 46 L HN 0.422 nan 8.230 nan 0.000 0.431 47 D N -0.957 119.263 120.400 -0.300 0.000 2.182 47 D HA -0.202 4.437 4.640 -0.001 0.000 0.201 47 D C 2.281 178.571 176.300 -0.016 0.000 0.986 47 D CA 1.292 55.232 54.000 -0.099 0.000 0.847 47 D CB -0.088 40.642 40.800 -0.117 0.000 0.942 47 D HN 0.611 nan 8.370 nan 0.000 0.467 48 S N -0.687 114.994 115.700 -0.032 0.000 2.469 48 S HA -0.115 4.355 4.470 -0.001 0.000 0.238 48 S C 2.085 176.731 174.600 0.077 0.000 0.998 48 S CA 0.435 58.702 58.200 0.112 0.000 0.957 48 S CB -0.649 62.710 63.200 0.265 0.000 0.764 48 S HN 0.384 nan 8.310 nan 0.000 0.514 49 I N -0.681 119.820 120.570 -0.115 0.000 2.439 49 I HA -0.066 4.103 4.170 -0.001 0.000 0.251 49 I C 1.434 177.286 176.117 -0.443 0.000 1.139 49 I CA 1.158 62.234 61.300 -0.373 0.000 1.438 49 I CB -0.147 37.440 38.000 -0.688 0.000 1.085 49 I HN 0.300 nan 8.210 nan 0.000 0.427 50 Y N -0.420 119.916 120.300 0.060 0.000 2.453 50 Y HA 0.206 4.755 4.550 -0.001 0.000 0.247 50 Y C 1.701 177.662 175.900 0.102 0.000 1.124 50 Y CA -0.569 57.583 58.100 0.087 0.000 1.243 50 Y CB -0.214 38.254 38.460 0.014 0.000 1.213 50 Y HN -0.021 nan 8.280 nan 0.000 0.523 51 S N 1.135 116.960 115.700 0.207 0.000 2.598 51 S HA 0.037 4.506 4.470 -0.001 0.000 0.256 51 S C -1.637 173.067 174.600 0.173 0.000 1.350 51 S CA -0.806 57.491 58.200 0.160 0.000 0.984 51 S CB 0.721 63.994 63.200 0.121 0.000 0.930 51 S HN -0.032 nan 8.310 nan 0.000 0.577 52 P HA 0.007 nan 4.420 nan 0.000 0.223 52 P C 0.892 178.303 177.300 0.184 0.000 1.144 52 P CA 1.169 64.349 63.100 0.134 0.000 0.783 52 P CB -0.344 31.416 31.700 0.100 0.000 0.771 53 T N -4.292 110.422 114.554 0.266 0.000 3.186 53 T HA 0.226 4.575 4.350 -0.001 0.000 0.257 53 T C 0.608 175.526 174.700 0.363 0.000 1.029 53 T CA -0.524 61.817 62.100 0.400 0.000 0.916 53 T CB -0.305 68.895 68.868 0.553 0.000 1.041 53 T HN -0.129 nan 8.240 nan 0.000 0.562 54 R N 1.967 122.616 120.500 0.247 0.000 2.537 54 R HA 0.325 4.664 4.340 -0.001 0.000 0.280 54 R C -0.312 176.009 176.300 0.035 0.000 1.058 54 R CA -0.563 55.638 56.100 0.168 0.000 1.057 54 R CB -0.292 30.118 30.300 0.183 0.000 0.973 54 R HN 0.395 nan 8.270 nan 0.000 0.438 55 I N 6.277 126.756 120.570 -0.151 0.000 2.379 55 I HA 0.036 4.205 4.170 -0.001 0.000 0.290 55 I C 1.027 176.970 176.117 -0.290 0.000 1.063 55 I CA -0.044 61.016 61.300 -0.400 0.000 1.351 55 I CB 1.193 38.735 38.000 -0.763 0.000 1.410 55 I HN 0.718 nan 8.210 nan 0.000 0.505 56 K N 5.130 125.273 120.400 -0.429 0.000 2.044 56 K HA 0.050 4.370 4.320 -0.001 0.000 0.204 56 K C -0.419 175.765 176.600 -0.694 0.000 1.045 56 K CA 1.124 56.931 56.287 -0.801 0.000 0.951 56 K CB 0.162 31.693 32.500 -1.614 0.000 0.738 56 K HN 0.371 nan 8.250 nan 0.000 0.443 57 Y N -0.131 120.108 120.300 -0.102 0.000 2.570 57 Y HA 0.333 4.882 4.550 -0.001 0.000 0.345 57 Y C -2.557 173.150 175.900 -0.321 0.000 1.014 57 Y CA -3.781 54.213 58.100 -0.177 0.000 1.063 57 Y CB 0.304 38.686 38.460 -0.131 0.000 1.272 57 Y HN -0.124 nan 8.280 nan 0.000 0.477 58 P HA 0.180 nan 4.420 nan 0.000 0.268 58 P C -0.735 176.415 177.300 -0.250 0.000 1.204 58 P CA 0.307 63.088 63.100 -0.532 0.000 0.768 58 P CB 0.421 31.566 31.700 -0.925 0.000 0.842 59 M N 2.056 121.539 119.600 -0.195 0.000 2.501 59 M HA 0.438 4.917 4.480 -0.001 0.000 0.293 59 M C -1.029 175.306 176.300 0.060 0.000 1.192 59 M CA -0.941 54.332 55.300 -0.045 0.000 0.886 59 M CB 2.134 34.679 32.600 -0.091 0.000 1.710 59 M HN -0.063 nan 8.290 nan 0.000 0.457 60 V N 1.548 121.577 119.914 0.193 0.000 2.540 60 V HA 0.463 4.583 4.120 -0.001 0.000 0.302 60 V C 0.183 176.483 176.094 0.343 0.000 1.035 60 V CA -0.908 61.536 62.300 0.241 0.000 0.873 60 V CB 2.092 34.027 31.823 0.186 0.000 0.992 60 V HN 0.845 nan 8.190 nan 0.000 0.428 61 R N 3.050 123.723 120.500 0.288 0.000 2.480 61 R HA 0.038 4.377 4.340 -0.001 0.000 0.303 61 R C 1.667 177.982 176.300 0.024 0.000 0.985 61 R CA 0.187 56.258 56.100 -0.047 0.000 1.051 61 R CB 0.175 30.434 30.300 -0.069 0.000 0.935 61 R HN 0.731 nan 8.270 nan 0.000 0.410 62 R N 3.374 123.840 120.500 -0.056 0.000 2.119 62 R HA -0.262 4.078 4.340 -0.001 0.000 0.246 62 R C 0.929 177.241 176.300 0.019 0.000 1.146 62 R CA 2.478 58.577 56.100 -0.003 0.000 0.962 62 R CB 0.057 30.334 30.300 -0.038 0.000 0.863 62 R HN 0.716 nan 8.270 nan 0.000 0.442 63 E N -0.481 119.722 120.200 0.006 0.000 2.077 63 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 63 E C 1.551 178.198 176.600 0.078 0.000 0.989 63 E CA 1.549 57.965 56.400 0.028 0.000 0.800 63 E CB -0.276 29.437 29.700 0.021 0.000 0.746 63 E HN 0.367 nan 8.360 nan 0.000 0.452 64 F N 0.594 120.538 119.950 -0.010 0.000 2.206 64 F HA -0.076 4.451 4.527 -0.001 0.000 0.298 64 F C 1.885 177.697 175.800 0.021 0.000 1.090 64 F CA 0.893 58.905 58.000 0.020 0.000 1.323 64 F CB -0.003 39.022 39.000 0.042 0.000 1.028 64 F HN 0.007 nan 8.300 nan 0.000 0.492 65 L N 0.172 121.505 121.223 0.183 0.000 2.012 65 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 65 L C 2.185 179.034 176.870 -0.035 0.000 1.073 65 L CA 2.105 56.994 54.840 0.083 0.000 0.748 65 L CB -0.510 41.608 42.059 0.099 0.000 0.891 65 L HN 0.258 nan 8.230 nan 0.000 0.431 66 E N -0.362 119.821 120.200 -0.028 0.000 2.028 66 E HA -0.215 4.134 4.350 -0.001 0.000 0.190 66 E C 1.877 178.426 176.600 -0.083 0.000 0.984 66 E CA 1.168 57.541 56.400 -0.045 0.000 0.800 66 E CB 0.079 29.763 29.700 -0.026 0.000 0.758 66 E HN 0.447 nan 8.360 nan 0.000 0.448 67 K N -0.233 120.106 120.400 -0.102 0.000 2.353 67 K HA 0.143 4.462 4.320 -0.001 0.000 0.195 67 K C 0.945 177.417 176.600 -0.212 0.000 1.031 67 K CA 0.318 56.535 56.287 -0.117 0.000 1.079 67 K CB 1.169 33.634 32.500 -0.059 0.000 0.857 67 K HN 0.200 nan 8.250 nan 0.000 0.535 68 G N 1.359 109.891 108.800 -0.447 0.000 2.622 68 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.307 68 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.307 68 G C 1.008 175.689 174.900 -0.365 0.000 1.226 68 G CA 0.875 45.540 45.100 -0.725 0.000 0.997 68 G HN 0.258 nan 8.290 nan 0.000 0.551 69 V N -1.107 118.715 119.914 -0.153 0.000 2.720 69 V HA -0.001 4.119 4.120 -0.001 0.000 0.256 69 V C 1.920 178.026 176.094 0.020 0.000 1.082 69 V CA 2.725 65.032 62.300 0.012 0.000 1.101 69 V CB -0.428 31.429 31.823 0.057 0.000 0.693 69 V HN 0.582 nan 8.190 nan 0.000 0.479 70 N N 1.471 120.160 118.700 -0.018 0.000 2.383 70 N HA 0.338 5.078 4.740 -0.001 0.000 0.192 70 N C 0.815 176.330 175.510 0.008 0.000 1.141 70 N CA 0.749 53.798 53.050 -0.001 0.000 0.851 70 N CB 0.173 38.652 38.487 -0.013 0.000 0.976 70 N HN 0.722 nan 8.380 nan 0.000 0.465 71 A N 0.748 123.580 122.820 0.019 0.000 2.507 71 A HA -0.038 4.281 4.320 -0.001 0.000 0.235 71 A C 0.387 178.003 177.584 0.054 0.000 1.070 71 A CA -0.069 51.996 52.037 0.047 0.000 0.768 71 A CB 0.152 19.228 19.000 0.127 0.000 1.011 71 A HN 0.133 nan 8.150 nan 0.000 0.502 72 D N 0.542 120.967 120.400 0.041 0.000 2.344 72 D HA 0.144 4.783 4.640 -0.001 0.000 0.253 72 D C 1.061 177.395 176.300 0.056 0.000 1.255 72 D CA 0.052 54.075 54.000 0.038 0.000 0.894 72 D CB 0.287 41.099 40.800 0.019 0.000 1.067 72 D HN 0.478 nan 8.370 nan 0.000 0.492 73 R N 1.586 122.131 120.500 0.074 0.000 2.299 73 R HA -0.030 4.309 4.340 -0.001 0.000 0.197 73 R C 1.951 178.306 176.300 0.092 0.000 0.971 73 R CA 0.590 56.750 56.100 0.100 0.000 1.030 73 R CB 0.081 30.452 30.300 0.118 0.000 0.932 73 R HN 0.411 nan 8.270 nan 0.000 0.477 74 S N 0.035 115.775 115.700 0.066 0.000 2.515 74 S HA -0.088 4.382 4.470 -0.001 0.000 0.231 74 S C 1.684 176.306 174.600 0.037 0.000 0.987 74 S CA 1.129 59.366 58.200 0.062 0.000 0.936 74 S CB -0.166 63.062 63.200 0.046 0.000 0.766 74 S HN 0.337 nan 8.310 nan 0.000 0.528 75 T N -1.092 113.466 114.554 0.006 0.000 3.105 75 T HA 0.326 4.675 4.350 -0.001 0.000 0.253 75 T C 0.511 175.148 174.700 -0.106 0.000 1.047 75 T CA -0.665 61.405 62.100 -0.049 0.000 0.944 75 T CB -0.265 68.564 68.868 -0.065 0.000 1.016 75 T HN 0.244 nan 8.240 nan 0.000 0.544 76 R N 0.936 121.403 120.500 -0.056 0.000 2.585 76 R HA 0.387 4.726 4.340 -0.001 0.000 0.275 76 R C 1.514 177.580 176.300 -0.389 0.000 1.018 76 R CA 1.190 57.213 56.100 -0.127 0.000 1.072 76 R CB 0.014 30.357 30.300 0.071 0.000 0.953 76 R HN 0.522 nan 8.270 nan 0.000 0.419 77 G N 2.173 110.586 108.800 -0.646 0.000 2.217 77 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.246 77 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.246 77 G C 0.620 175.226 174.900 -0.490 0.000 0.990 77 G CA 0.354 44.873 45.100 -0.967 0.000 0.627 77 G HN 0.741 nan 8.290 nan 0.000 0.522 78 N N 1.168 119.654 118.700 -0.356 0.000 2.515 78 N HA 0.336 5.076 4.740 -0.001 0.000 0.185 78 N C 1.785 177.139 175.510 -0.261 0.000 1.109 78 N CA 1.486 54.380 53.050 -0.259 0.000 0.903 78 N CB -0.487 37.884 38.487 -0.193 0.000 0.969 78 N HN 1.806 nan 8.380 nan 0.000 0.450 79 G N -0.235 108.367 108.800 -0.330 0.000 2.159 79 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.256 79 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.256 79 G C -0.493 174.235 174.900 -0.287 0.000 0.977 79 G CA 0.186 45.139 45.100 -0.244 0.000 0.652 79 G HN 0.596 nan 8.290 nan 0.000 0.531 80 D N 0.546 120.693 120.400 -0.422 0.000 2.483 80 D HA 0.517 5.156 4.640 -0.001 0.000 0.220 80 D C 0.012 176.075 176.300 -0.395 0.000 1.173 80 D CA -0.209 53.613 54.000 -0.297 0.000 0.964 80 D CB -0.528 40.141 40.800 -0.219 0.000 1.046 80 D HN 0.127 nan 8.370 nan 0.000 0.517 81 F N 1.378 121.284 119.950 -0.073 0.000 2.523 81 F HA 0.503 5.029 4.527 -0.001 0.000 0.329 81 F C 0.247 176.034 175.800 -0.021 0.000 1.061 81 F CA -1.036 56.945 58.000 -0.032 0.000 0.967 81 F CB 1.754 40.744 39.000 -0.017 0.000 1.218 81 F HN -0.128 nan 8.300 nan 0.000 0.480 82 V N 2.057 122.112 119.914 0.235 0.000 2.495 82 V HA 0.438 4.558 4.120 -0.001 0.000 0.298 82 V C -0.206 175.947 176.094 0.098 0.000 1.031 82 V CA -1.112 61.258 62.300 0.116 0.000 0.871 82 V CB 1.651 33.518 31.823 0.073 0.000 0.988 82 V HN 0.678 nan 8.190 nan 0.000 0.432 83 R N 3.806 124.330 120.500 0.039 0.000 2.442 83 R HA 0.578 4.918 4.340 -0.001 0.000 0.291 83 R C -0.592 175.678 176.300 -0.051 0.000 1.069 83 R CA -0.116 55.974 56.100 -0.016 0.000 1.022 83 R CB 1.076 31.322 30.300 -0.089 0.000 0.976 83 R HN 0.700 nan 8.270 nan 0.000 0.443 84 V N 0.781 120.648 119.914 -0.079 0.000 3.141 84 V HA 0.612 4.731 4.120 -0.001 0.000 0.312 84 V C -0.191 175.827 176.094 -0.127 0.000 1.157 84 V CA -0.824 61.429 62.300 -0.079 0.000 1.041 84 V CB 1.733 33.529 31.823 -0.046 0.000 1.071 84 V HN 0.943 nan 8.190 nan 0.000 0.441 85 S N 0.162 115.816 115.700 -0.076 0.000 2.614 85 S HA 0.260 4.730 4.470 -0.001 0.000 0.265 85 S C 0.420 174.992 174.600 -0.047 0.000 1.303 85 S CA -0.004 58.170 58.200 -0.043 0.000 1.000 85 S CB 0.484 63.701 63.200 0.028 0.000 0.935 85 S HN 0.903 nan 8.310 nan 0.000 0.551 86 W N 0.595 121.903 121.300 0.013 0.000 2.338 86 W HA -0.084 4.575 4.660 -0.001 0.000 0.304 86 W C 1.950 178.468 176.519 -0.001 0.000 1.212 86 W CA 1.225 58.569 57.345 -0.000 0.000 1.264 86 W CB -0.228 29.230 29.460 -0.003 0.000 1.142 86 W HN 0.724 nan 8.180 nan 0.000 0.512 87 D N -0.634 119.914 120.400 0.247 0.000 2.117 87 D HA -0.234 4.405 4.640 -0.001 0.000 0.197 87 D C 1.914 178.280 176.300 0.110 0.000 0.987 87 D CA 1.475 55.568 54.000 0.155 0.000 0.829 87 D CB -0.623 40.241 40.800 0.108 0.000 0.961 87 D HN 0.328 nan 8.370 nan 0.000 0.460 88 Q N 0.318 120.166 119.800 0.079 0.000 2.079 88 Q HA -0.109 4.231 4.340 -0.001 0.000 0.200 88 Q C 2.025 178.059 176.000 0.057 0.000 0.974 88 Q CA 1.472 57.308 55.803 0.055 0.000 0.840 88 Q CB 0.016 28.772 28.738 0.030 0.000 0.898 88 Q HN 0.180 nan 8.270 nan 0.000 0.430 89 A N 0.631 123.472 122.820 0.036 0.000 1.898 89 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 89 A C 2.032 179.667 177.584 0.086 0.000 1.181 89 A CA 1.077 53.124 52.037 0.018 0.000 0.620 89 A CB -0.659 18.268 19.000 -0.122 0.000 0.819 89 A HN 0.435 nan 8.150 nan 0.000 0.442 90 L N -0.500 120.812 121.223 0.150 0.000 2.046 90 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 90 L C 2.119 179.059 176.870 0.117 0.000 1.077 90 L CA 1.383 56.316 54.840 0.155 0.000 0.747 90 L CB -0.704 41.460 42.059 0.175 0.000 0.896 90 L HN 0.281 nan 8.230 nan 0.000 0.432 91 D N 0.081 120.542 120.400 0.101 0.000 2.104 91 D HA -0.195 4.445 4.640 -0.001 0.000 0.194 91 D C 2.054 178.410 176.300 0.094 0.000 0.994 91 D CA 1.159 55.211 54.000 0.086 0.000 0.830 91 D CB -0.167 40.675 40.800 0.071 0.000 0.959 91 D HN 0.114 nan 8.370 nan 0.000 0.452 92 L N 0.429 121.712 121.223 0.100 0.000 2.017 92 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 92 L C 2.255 179.210 176.870 0.142 0.000 1.073 92 L CA 1.290 56.204 54.840 0.122 0.000 0.745 92 L CB -0.489 41.652 42.059 0.136 0.000 0.894 92 L HN -0.115 nan 8.230 nan 0.000 0.432 93 V N 0.073 120.066 119.914 0.132 0.000 2.295 93 V HA -0.296 3.823 4.120 -0.001 0.000 0.246 93 V C 2.796 178.997 176.094 0.179 0.000 1.049 93 V CA 1.659 64.049 62.300 0.151 0.000 1.024 93 V CB -1.314 30.607 31.823 0.164 0.000 0.648 93 V HN 0.610 nan 8.190 nan 0.000 0.447 94 A N -0.069 122.845 122.820 0.155 0.000 1.908 94 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 94 A C 2.419 180.077 177.584 0.123 0.000 1.181 94 A CA 2.182 54.300 52.037 0.136 0.000 0.627 94 A CB -0.782 18.280 19.000 0.103 0.000 0.818 94 A HN 0.583 nan 8.150 nan 0.000 0.445 95 A N -0.611 122.277 122.820 0.113 0.000 1.902 95 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 95 A C 1.981 179.637 177.584 0.120 0.000 1.181 95 A CA 1.665 53.762 52.037 0.100 0.000 0.623 95 A CB -0.399 18.653 19.000 0.086 0.000 0.818 95 A HN 0.458 nan 8.150 nan 0.000 0.443 96 E N -0.107 120.186 120.200 0.155 0.000 2.072 96 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 96 E C 2.257 178.967 176.600 0.183 0.000 0.985 96 E CA 1.276 57.787 56.400 0.185 0.000 0.801 96 E CB -0.565 29.273 29.700 0.231 0.000 0.750 96 E HN 0.387 nan 8.360 nan 0.000 0.452 97 V N 1.542 121.570 119.914 0.189 0.000 2.261 97 V HA -0.282 3.837 4.120 -0.001 0.000 0.246 97 V C 2.549 178.732 176.094 0.148 0.000 1.047 97 V CA 2.125 64.541 62.300 0.194 0.000 1.015 97 V CB -0.475 31.475 31.823 0.212 0.000 0.642 97 V HN 0.199 nan 8.190 nan 0.000 0.446 98 K N 0.296 120.768 120.400 0.120 0.000 2.020 98 K HA -0.253 4.067 4.320 -0.001 0.000 0.212 98 K C 2.402 179.047 176.600 0.074 0.000 1.050 98 K CA 2.050 58.389 56.287 0.087 0.000 0.929 98 K CB -0.325 32.218 32.500 0.072 0.000 0.714 98 K HN 0.299 nan 8.250 nan 0.000 0.443 99 R N 0.085 120.634 120.500 0.081 0.000 2.083 99 R HA -0.147 4.192 4.340 -0.001 0.000 0.237 99 R C 2.012 178.352 176.300 0.066 0.000 1.137 99 R CA 1.987 58.121 56.100 0.058 0.000 0.951 99 R CB -0.347 29.997 30.300 0.073 0.000 0.851 99 R HN 0.138 nan 8.270 nan 0.000 0.434 100 V N 1.530 121.534 119.914 0.150 0.000 2.307 100 V HA -0.194 3.925 4.120 -0.001 0.000 0.245 100 V C 2.355 178.558 176.094 0.183 0.000 1.045 100 V CA 1.842 64.292 62.300 0.250 0.000 1.024 100 V CB -0.482 31.512 31.823 0.284 0.000 0.651 100 V HN 0.380 nan 8.190 nan 0.000 0.449 101 E N 0.087 120.364 120.200 0.128 0.000 2.058 101 E HA -0.270 4.080 4.350 -0.001 0.000 0.194 101 E C 2.222 178.837 176.600 0.025 0.000 0.997 101 E CA 1.564 58.013 56.400 0.082 0.000 0.801 101 E CB -0.138 29.610 29.700 0.080 0.000 0.746 101 E HN 0.691 nan 8.360 nan 0.000 0.450 102 E N -0.228 119.976 120.200 0.005 0.000 2.047 102 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 102 E C 2.063 178.604 176.600 -0.100 0.000 0.987 102 E CA 1.555 57.933 56.400 -0.036 0.000 0.799 102 E CB 0.111 29.792 29.700 -0.030 0.000 0.752 102 E HN 0.138 nan 8.360 nan 0.000 0.449 103 T N -0.599 113.847 114.554 -0.181 0.000 2.812 103 T HA -0.091 4.258 4.350 -0.001 0.000 0.264 103 T C 0.847 175.262 174.700 -0.475 0.000 1.042 103 T CA 1.075 62.919 62.100 -0.427 0.000 1.140 103 T CB -0.097 68.316 68.868 -0.758 0.000 0.870 103 T HN 0.196 nan 8.240 nan 0.000 0.445 104 Y N 0.533 120.825 120.300 -0.013 0.000 2.453 104 Y HA 0.486 5.036 4.550 -0.001 0.000 0.247 104 Y C 1.433 177.285 175.900 -0.079 0.000 1.124 104 Y CA -0.351 57.730 58.100 -0.031 0.000 1.243 104 Y CB 0.206 38.662 38.460 -0.007 0.000 1.213 104 Y HN 0.356 nan 8.280 nan 0.000 0.523 105 G N 1.311 110.126 108.800 0.025 0.000 2.795 105 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.664 105 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.664 105 G C -1.951 172.880 174.900 -0.116 0.000 1.381 105 G CA -0.482 44.559 45.100 -0.098 0.000 0.853 105 G HN 0.008 nan 8.290 nan 0.000 0.545 106 P HA -0.034 nan 4.420 nan 0.000 0.220 106 P C 1.222 178.400 177.300 -0.203 0.000 1.148 106 P CA 1.747 64.714 63.100 -0.221 0.000 0.803 106 P CB 0.004 31.494 31.700 -0.349 0.000 0.782 107 E N -0.001 119.893 120.200 -0.511 0.000 2.333 107 E HA -0.044 4.305 4.350 -0.001 0.000 0.198 107 E C 2.158 178.808 176.600 0.084 0.000 1.007 107 E CA 1.244 57.582 56.400 -0.103 0.000 0.845 107 E CB -1.369 28.203 29.700 -0.215 0.000 0.766 107 E HN 0.323 nan 8.360 nan 0.000 0.507 108 G N -0.021 108.811 108.800 0.054 0.000 2.985 108 G HA2 0.081 4.041 3.960 -0.001 0.000 0.209 108 G HA3 0.081 4.041 3.960 -0.001 0.000 0.209 108 G C 0.052 175.027 174.900 0.124 0.000 1.165 108 G CA -0.141 44.998 45.100 0.064 0.000 0.776 108 G HN 0.082 nan 8.290 nan 0.000 0.541 109 V N 1.129 121.164 119.914 0.202 0.000 2.378 109 V HA 0.406 4.525 4.120 -0.001 0.000 0.288 109 V C -1.174 175.119 176.094 0.332 0.000 1.016 109 V CA -1.115 61.336 62.300 0.252 0.000 0.840 109 V CB 1.433 33.407 31.823 0.250 0.000 0.994 109 V HN 0.181 nan 8.190 nan 0.000 0.431 110 F N 3.971 124.004 119.950 0.138 0.000 2.411 110 F HA 0.679 5.205 4.527 -0.001 0.000 0.355 110 F C 0.989 176.831 175.800 0.070 0.000 1.117 110 F CA -0.630 57.437 58.000 0.112 0.000 1.139 110 F CB 1.502 40.526 39.000 0.041 0.000 1.120 110 F HN 0.498 nan 8.300 nan 0.000 0.493 111 G N 3.537 112.011 108.800 -0.544 0.000 3.774 111 G HA2 0.196 4.155 3.960 -0.001 0.000 0.287 111 G HA3 0.196 4.155 3.960 -0.001 0.000 0.287 111 G C 1.191 175.557 174.900 -0.890 0.000 1.030 111 G CA 0.222 44.937 45.100 -0.641 0.000 0.824 111 G HN 0.964 nan 8.290 nan 0.000 0.518 112 G N 0.433 108.316 108.800 -1.529 0.000 2.418 112 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.217 112 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.217 112 G C 1.100 175.593 174.900 -0.678 0.000 1.158 112 G CA 1.224 45.763 45.100 -0.934 0.000 0.771 112 G HN 0.934 nan 8.290 nan 0.000 0.545 113 S N -1.265 113.769 115.700 -1.110 0.000 3.477 113 S HA -0.267 4.202 4.470 -0.001 0.000 0.371 113 S C 0.231 174.604 174.600 -0.377 0.000 0.965 113 S CA 0.243 57.695 58.200 -1.247 0.000 1.239 113 S CB -1.701 61.094 63.200 -0.674 0.000 0.918 113 S HN 0.603 nan 8.310 nan 0.000 0.498 114 Y N 0.825 121.128 120.300 0.005 0.000 2.610 114 Y HA 0.430 4.979 4.550 -0.001 0.000 0.332 114 Y C 0.864 177.071 175.900 0.513 0.000 1.201 114 Y CA 1.604 59.899 58.100 0.325 0.000 1.465 114 Y CB 0.340 39.091 38.460 0.484 0.000 1.283 114 Y HN 0.603 nan 8.280 nan 0.000 0.563 115 G N 3.978 112.518 108.800 -0.433 0.000 2.377 115 G HA2 0.005 3.964 3.960 -0.001 0.000 0.297 115 G HA3 0.005 3.964 3.960 -0.001 0.000 0.297 115 G C -1.136 173.803 174.900 0.065 0.000 1.547 115 G CA -0.945 44.173 45.100 0.029 0.000 0.833 115 G HN 0.699 nan 8.290 nan 0.000 0.583 116 W N 1.909 123.286 121.300 0.128 0.000 2.800 116 W HA 0.147 4.806 4.660 -0.001 0.000 0.249 116 W C 2.158 178.762 176.519 0.143 0.000 1.294 116 W CA 0.994 58.450 57.345 0.185 0.000 1.402 116 W CB 0.140 29.702 29.460 0.171 0.000 1.126 116 W HN 1.084 nan 8.180 nan 0.000 0.652 117 K N -0.789 119.804 120.400 0.321 0.000 2.262 117 K HA -0.326 3.993 4.320 -0.001 0.000 0.128 117 K C 0.047 176.842 176.600 0.326 0.000 1.418 117 K CA 1.391 57.823 56.287 0.241 0.000 0.647 117 K CB -1.873 30.677 32.500 0.084 0.000 0.516 117 K HN -0.079 nan 8.250 nan 0.000 0.989 118 S N 1.413 117.166 115.700 0.088 0.000 2.570 118 S HA 0.589 5.058 4.470 -0.001 0.000 0.286 118 S C -2.757 171.590 174.600 -0.422 0.000 1.099 118 S CA -1.119 56.976 58.200 -0.175 0.000 0.913 118 S CB 2.280 65.472 63.200 -0.013 0.000 1.085 118 S HN 0.498 nan 8.310 nan 0.000 0.480 119 P HA 0.525 nan 4.420 nan 0.000 0.273 119 P C -0.276 176.885 177.300 -0.232 0.000 1.250 119 P CA 0.069 62.884 63.100 -0.475 0.000 0.793 119 P CB 0.301 31.756 31.700 -0.409 0.000 1.011 120 G N 0.229 108.930 108.800 -0.165 0.000 2.542 120 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.391 120 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.391 120 G C 0.221 175.076 174.900 -0.074 0.000 1.551 120 G CA -0.692 44.377 45.100 -0.051 0.000 0.946 120 G HN 0.256 nan 8.290 nan 0.000 0.662 121 R N 0.950 121.416 120.500 -0.057 0.000 2.193 121 R HA 0.070 4.409 4.340 -0.001 0.000 0.213 121 R C 2.308 178.473 176.300 -0.226 0.000 1.055 121 R CA 1.032 57.008 56.100 -0.206 0.000 0.995 121 R CB -0.289 29.831 30.300 -0.300 0.000 0.893 121 R HN 0.575 nan 8.270 nan 0.000 0.459 122 L N -0.059 121.146 121.223 -0.030 0.000 2.189 122 L HA 0.092 4.432 4.340 -0.001 0.000 0.199 122 L C 0.777 177.514 176.870 -0.221 0.000 1.074 122 L CA 1.489 56.264 54.840 -0.108 0.000 0.783 122 L CB -0.380 41.536 42.059 -0.238 0.000 0.955 122 L HN 0.069 nan 8.230 nan 0.000 0.460 123 H N 1.459 120.535 119.070 0.010 0.000 2.768 123 H HA 0.232 4.787 4.556 -0.001 0.000 0.219 123 H C -0.309 175.024 175.328 0.009 0.000 1.898 123 H CA -0.173 55.895 56.048 0.034 0.000 1.313 123 H CB -0.863 28.914 29.762 0.026 0.000 1.701 123 H HN 0.249 nan 8.280 nan 0.000 0.534 124 N N 1.968 120.701 118.700 0.055 0.000 2.767 124 N HA -0.017 4.722 4.740 -0.001 0.000 0.238 124 N C 1.399 176.934 175.510 0.042 0.000 1.083 124 N CA -0.357 52.688 53.050 -0.008 0.000 0.964 124 N CB -0.022 38.408 38.487 -0.094 0.000 1.252 124 N HN 0.440 nan 8.380 nan 0.000 0.512 125 C N 1.150 120.513 119.300 0.106 0.000 2.413 125 C HA -0.114 4.345 4.460 -0.001 0.000 0.277 125 C C 2.422 177.460 174.990 0.080 0.000 1.265 125 C CA 1.373 60.504 59.018 0.188 0.000 1.752 125 C CB -1.546 26.333 27.740 0.232 0.000 1.998 125 C HN 0.692 nan 8.230 nan 0.000 0.489 126 T N -1.720 112.825 114.554 -0.014 0.000 2.904 126 T HA -0.099 4.250 4.350 -0.001 0.000 0.267 126 T C 1.597 176.173 174.700 -0.207 0.000 1.059 126 T CA 2.140 64.166 62.100 -0.124 0.000 1.137 126 T CB -1.073 67.729 68.868 -0.110 0.000 0.879 126 T HN 0.576 nan 8.240 nan 0.000 0.467 127 T N 2.033 116.494 114.554 -0.155 0.000 2.857 127 T HA 0.234 4.583 4.350 -0.001 0.000 0.266 127 T C 1.866 176.418 174.700 -0.246 0.000 1.048 127 T CA 0.735 62.720 62.100 -0.191 0.000 1.139 127 T CB -0.408 68.365 68.868 -0.159 0.000 0.874 127 T HN 0.283 nan 8.240 nan 0.000 0.455 128 L N 0.649 121.760 121.223 -0.187 0.000 2.046 128 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 128 L C 2.427 178.923 176.870 -0.624 0.000 1.077 128 L CA 0.830 55.567 54.840 -0.171 0.000 0.747 128 L CB -0.608 41.561 42.059 0.183 0.000 0.896 128 L HN 0.241 nan 8.230 nan 0.000 0.432 129 L N 0.105 120.773 121.223 -0.924 0.000 1.990 129 L HA -0.239 4.101 4.340 -0.001 0.000 0.213 129 L C 2.707 179.005 176.870 -0.953 0.000 1.072 129 L CA 1.827 55.789 54.840 -1.464 0.000 0.755 129 L CB -0.484 41.075 42.059 -0.833 0.000 0.889 129 L HN 0.081 nan 8.230 nan 0.000 0.432 130 R N -0.914 119.165 120.500 -0.701 0.000 2.120 130 R HA -0.145 4.194 4.340 -0.001 0.000 0.234 130 R C 2.486 178.574 176.300 -0.353 0.000 1.123 130 R CA 1.382 57.076 56.100 -0.676 0.000 0.975 130 R CB -0.390 29.578 30.300 -0.554 0.000 0.866 130 R HN 0.410 nan 8.270 nan 0.000 0.446 131 R N 0.519 120.852 120.500 -0.277 0.000 2.081 131 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 131 R C 2.316 178.613 176.300 -0.005 0.000 1.131 131 R CA 1.452 57.466 56.100 -0.143 0.000 0.960 131 R CB -0.111 30.030 30.300 -0.264 0.000 0.856 131 R HN 0.146 nan 8.270 nan 0.000 0.436 132 M N 0.651 120.219 119.600 -0.052 0.000 2.132 132 M HA -0.121 4.358 4.480 -0.001 0.000 0.263 132 M C 1.871 178.122 176.300 -0.082 0.000 1.065 132 M CA 1.625 56.893 55.300 -0.054 0.000 1.122 132 M CB -0.355 32.069 32.600 -0.294 0.000 1.365 132 M HN 0.244 nan 8.290 nan 0.000 0.411 133 L N -0.474 120.628 121.223 -0.203 0.000 2.141 133 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 133 L C 2.276 179.241 176.870 0.158 0.000 1.094 133 L CA 1.369 56.176 54.840 -0.055 0.000 0.763 133 L CB -1.078 40.861 42.059 -0.201 0.000 0.908 133 L HN 0.283 nan 8.230 nan 0.000 0.437 134 T N 0.452 115.111 114.554 0.175 0.000 2.746 134 T HA -0.164 4.185 4.350 -0.001 0.000 0.267 134 T C 1.956 176.732 174.700 0.126 0.000 1.039 134 T CA 1.273 63.498 62.100 0.207 0.000 1.142 134 T CB -0.242 68.721 68.868 0.158 0.000 0.866 134 T HN 0.208 nan 8.240 nan 0.000 0.444 135 L N 0.669 121.952 121.223 0.099 0.000 2.131 135 L HA -0.025 4.314 4.340 -0.001 0.000 0.210 135 L C 2.803 179.724 176.870 0.085 0.000 1.092 135 L CA 0.981 55.876 54.840 0.091 0.000 0.759 135 L CB -0.519 41.606 42.059 0.109 0.000 0.903 135 L HN 0.225 nan 8.230 nan 0.000 0.435 136 A N -0.815 122.058 122.820 0.088 0.000 2.206 136 A HA 0.270 4.589 4.320 -0.001 0.000 0.211 136 A C 1.775 179.414 177.584 0.091 0.000 1.158 136 A CA 1.045 53.135 52.037 0.088 0.000 0.761 136 A CB -0.213 18.844 19.000 0.094 0.000 0.801 136 A HN 0.524 nan 8.150 nan 0.000 0.473 137 G N -3.427 105.434 108.800 0.101 0.000 2.367 137 G HA2 0.418 4.378 3.960 -0.001 0.000 0.181 137 G HA3 0.418 4.378 3.960 -0.001 0.000 0.181 137 G C 1.041 176.008 174.900 0.112 0.000 1.000 137 G CA 0.384 45.535 45.100 0.084 0.000 0.693 137 G HN 2.272 nan 8.290 nan 0.000 0.480 138 G N -1.016 107.895 108.800 0.185 0.000 2.408 138 G HA2 0.610 4.570 3.960 -0.001 0.000 0.682 138 G HA3 0.610 4.570 3.960 -0.001 0.000 0.682 138 G C -0.644 174.463 174.900 0.344 0.000 1.303 138 G CA 0.114 45.343 45.100 0.215 0.000 0.966 138 G HN 2.112 nan 8.290 nan 0.000 0.560 139 Y N -3.977 116.528 120.300 0.341 0.000 2.732 139 Y HA 0.624 5.174 4.550 -0.001 0.000 0.342 139 Y C -0.471 175.644 175.900 0.359 0.000 1.203 139 Y CA -1.378 56.897 58.100 0.291 0.000 1.092 139 Y CB 0.476 38.972 38.460 0.059 0.000 1.345 139 Y HN 0.944 nan 8.280 nan 0.000 0.458 140 V N 2.939 123.134 119.914 0.468 0.000 2.498 140 V HA 0.312 4.432 4.120 -0.001 0.000 0.279 140 V C -0.158 176.044 176.094 0.181 0.000 1.048 140 V CA -0.246 62.246 62.300 0.321 0.000 0.967 140 V CB 0.915 33.048 31.823 0.518 0.000 0.988 140 V HN 0.776 nan 8.190 nan 0.000 0.473 141 N N 2.313 121.046 118.700 0.055 0.000 2.563 141 N HA 0.652 5.391 4.740 -0.001 0.000 0.288 141 N C -0.073 175.482 175.510 0.075 0.000 1.246 141 N CA -0.024 53.034 53.050 0.014 0.000 0.946 141 N CB 2.086 40.593 38.487 0.034 0.000 1.213 141 N HN 0.764 nan 8.380 nan 0.000 0.578 142 G N -1.279 107.545 108.800 0.040 0.000 2.454 142 G HA2 0.723 4.682 3.960 -0.001 0.000 0.329 142 G HA3 0.723 4.682 3.960 -0.001 0.000 0.329 142 G C -1.412 173.532 174.900 0.074 0.000 1.177 142 G CA -0.453 44.735 45.100 0.148 0.000 0.951 142 G HN 0.605 nan 8.290 nan 0.000 0.485 143 A N -0.138 122.705 122.820 0.038 0.000 2.374 143 A HA 0.979 5.299 4.320 -0.001 0.000 0.317 143 A C 0.725 178.314 177.584 0.008 0.000 1.094 143 A CA 0.469 52.523 52.037 0.030 0.000 0.765 143 A CB 1.039 20.067 19.000 0.046 0.000 1.268 143 A HN 2.652 nan 8.150 nan 0.000 0.438 144 G N 1.354 110.181 108.800 0.046 0.000 2.645 144 G HA2 0.238 4.197 3.960 -0.001 0.000 0.239 144 G HA3 0.238 4.197 3.960 -0.001 0.000 0.239 144 G C -0.523 174.412 174.900 0.058 0.000 1.331 144 G CA 0.888 46.006 45.100 0.030 0.000 0.890 144 G HN 2.204 nan 8.290 nan 0.000 0.572 145 D N -3.724 116.679 120.400 0.005 0.000 2.692 145 D HA 0.524 5.163 4.640 -0.001 0.000 0.303 145 D C 0.094 176.309 176.300 -0.141 0.000 1.278 145 D CA -0.704 53.329 54.000 0.055 0.000 0.852 145 D CB 0.061 41.048 40.800 0.312 0.000 1.375 145 D HN 0.350 nan 8.370 nan 0.000 0.453 146 Y N -0.252 119.889 120.300 -0.265 0.000 2.511 146 Y HA 0.173 4.722 4.550 -0.001 0.000 0.279 146 Y C 2.197 178.134 175.900 0.061 0.000 1.157 146 Y CA 0.551 58.568 58.100 -0.138 0.000 1.300 146 Y CB 0.247 38.566 38.460 -0.235 0.000 1.052 146 Y HN 0.306 nan 8.280 nan 0.000 0.529 147 S N -0.838 115.016 115.700 0.256 0.000 2.348 147 S HA -0.084 4.385 4.470 -0.001 0.000 0.219 147 S C 1.412 176.000 174.600 -0.021 0.000 1.033 147 S CA 1.694 60.051 58.200 0.261 0.000 0.974 147 S CB -0.335 63.039 63.200 0.289 0.000 0.868 147 S HN 0.495 nan 8.310 nan 0.000 0.459 148 T N -1.034 113.373 114.554 -0.244 0.000 3.584 148 T HA 0.469 4.819 4.350 -0.001 0.000 0.259 148 T C 1.222 175.775 174.700 -0.245 0.000 1.009 148 T CA 0.101 61.930 62.100 -0.452 0.000 1.103 148 T CB 0.554 68.844 68.868 -0.964 0.000 1.099 148 T HN 0.192 nan 8.240 nan 0.000 0.539 149 G N 1.903 110.628 108.800 -0.126 0.000 2.529 149 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.219 149 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.219 149 G C 1.564 176.434 174.900 -0.050 0.000 1.177 149 G CA 0.952 45.994 45.100 -0.097 0.000 0.773 149 G HN 0.785 nan 8.290 nan 0.000 0.573 150 A N 0.867 123.669 122.820 -0.030 0.000 1.855 150 A HA 0.461 4.780 4.320 -0.001 0.000 0.213 150 A C 2.841 180.408 177.584 -0.029 0.000 1.195 150 A CA 2.054 54.097 52.037 0.009 0.000 0.610 150 A CB -0.914 18.120 19.000 0.056 0.000 0.837 150 A HN 0.881 nan 8.150 nan 0.000 0.444 151 A N 0.458 123.235 122.820 -0.071 0.000 1.940 151 A HA -0.241 4.078 4.320 -0.001 0.000 0.219 151 A C 2.191 179.648 177.584 -0.212 0.000 1.176 151 A CA 1.869 53.827 52.037 -0.132 0.000 0.631 151 A CB -0.748 18.078 19.000 -0.291 0.000 0.814 151 A HN 0.786 nan 8.150 nan 0.000 0.446 152 Q N -0.676 118.965 119.800 -0.266 0.000 2.436 152 Q HA -0.003 4.336 4.340 -0.001 0.000 0.209 152 Q C 1.276 177.182 176.000 -0.157 0.000 0.965 152 Q CA 1.596 57.244 55.803 -0.259 0.000 0.910 152 Q CB -0.198 28.367 28.738 -0.290 0.000 0.980 152 Q HN 0.367 nan 8.270 nan 0.000 0.491 153 V N 0.154 120.007 119.914 -0.101 0.000 2.795 153 V HA -0.068 4.052 4.120 -0.001 0.000 0.243 153 V C 1.915 177.972 176.094 -0.063 0.000 1.069 153 V CA 0.574 62.832 62.300 -0.070 0.000 1.089 153 V CB 0.047 31.878 31.823 0.014 0.000 0.756 153 V HN 0.313 nan 8.190 nan 0.000 0.471 154 I N -0.223 120.301 120.570 -0.077 0.000 2.439 154 I HA -0.105 4.065 4.170 -0.001 0.000 0.251 154 I C 2.197 178.183 176.117 -0.219 0.000 1.139 154 I CA 1.601 62.810 61.300 -0.152 0.000 1.438 154 I CB -0.214 37.666 38.000 -0.199 0.000 1.085 154 I HN 0.105 nan 8.210 nan 0.000 0.427 155 M N 0.757 120.252 119.600 -0.175 0.000 2.086 155 M HA -0.083 4.396 4.480 -0.001 0.000 0.261 155 M C -0.148 176.056 176.300 -0.161 0.000 1.067 155 M CA 1.895 57.102 55.300 -0.155 0.000 1.116 155 M CB -2.531 30.009 32.600 -0.101 0.000 1.348 155 M HN 0.110 nan 8.290 nan 0.000 0.407 156 P HA -0.147 nan 4.420 nan 0.000 0.218 156 P C 1.365 178.489 177.300 -0.293 0.000 1.148 156 P CA 1.304 64.259 63.100 -0.242 0.000 0.822 156 P CB -0.330 31.189 31.700 -0.302 0.000 0.784 157 H N -1.698 117.232 119.070 -0.233 0.000 2.502 157 H HA 0.060 4.615 4.556 -0.001 0.000 0.283 157 H C 1.713 176.879 175.328 -0.270 0.000 1.015 157 H CA 0.999 56.890 56.048 -0.261 0.000 1.298 157 H CB -0.159 29.381 29.762 -0.369 0.000 1.411 157 H HN 0.049 nan 8.280 nan 0.000 0.556 158 V N 0.345 120.141 119.914 -0.196 0.000 2.690 158 V HA -0.073 4.046 4.120 -0.001 0.000 0.240 158 V C 2.314 178.360 176.094 -0.081 0.000 1.078 158 V CA 1.141 63.323 62.300 -0.197 0.000 1.102 158 V CB 0.179 31.784 31.823 -0.363 0.000 0.800 158 V HN 0.325 nan 8.190 nan 0.000 0.479 159 V N -2.332 117.540 119.914 -0.069 0.000 3.605 159 V HA 0.654 4.773 4.120 -0.001 0.000 0.284 159 V C 1.400 177.485 176.094 -0.014 0.000 1.386 159 V CA 0.759 63.053 62.300 -0.011 0.000 1.053 159 V CB -0.075 31.814 31.823 0.111 0.000 0.857 159 V HN 0.734 nan 8.190 nan 0.000 0.436 160 G N 0.982 109.745 108.800 -0.062 0.000 2.159 160 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.256 160 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.256 160 G C 0.206 175.065 174.900 -0.068 0.000 0.977 160 G CA 0.681 45.736 45.100 -0.075 0.000 0.652 160 G HN 1.150 nan 8.290 nan 0.000 0.531 161 T N -2.175 112.350 114.554 -0.048 0.000 2.838 161 T HA 0.617 4.967 4.350 -0.001 0.000 0.292 161 T C 1.014 175.677 174.700 -0.062 0.000 1.113 161 T CA -0.103 61.970 62.100 -0.045 0.000 1.008 161 T CB 1.655 70.514 68.868 -0.015 0.000 1.259 161 T HN 0.847 nan 8.240 nan 0.000 0.520 162 L N 0.866 122.050 121.223 -0.065 0.000 2.056 162 L HA 0.091 4.430 4.340 -0.001 0.000 0.207 162 L C 1.872 178.675 176.870 -0.111 0.000 1.078 162 L CA 2.748 57.528 54.840 -0.101 0.000 0.749 162 L CB -0.884 41.131 42.059 -0.073 0.000 0.901 162 L HN 1.065 nan 8.230 nan 0.000 0.433 163 E N -1.682 118.495 120.200 -0.038 0.000 5.150 163 E HA -0.319 4.031 4.350 -0.001 0.000 0.167 163 E C 1.534 178.134 176.600 0.000 0.000 1.196 163 E CA 2.356 58.772 56.400 0.027 0.000 2.189 163 E CB -1.928 27.838 29.700 0.109 0.000 1.820 163 E HN 0.483 nan 8.360 nan 0.000 0.420 164 V N -1.509 118.298 119.914 -0.178 0.000 2.515 164 V HA -0.048 4.071 4.120 -0.001 0.000 0.250 164 V C 1.597 177.655 176.094 -0.060 0.000 1.058 164 V CA 2.101 64.249 62.300 -0.253 0.000 1.064 164 V CB -0.712 30.595 31.823 -0.861 0.000 0.675 164 V HN 0.326 nan 8.190 nan 0.000 0.461 165 Y N 1.179 121.558 120.300 0.133 0.000 2.774 165 Y HA 0.626 5.175 4.550 -0.001 0.000 0.305 165 Y C 0.448 176.531 175.900 0.306 0.000 1.067 165 Y CA -1.575 56.678 58.100 0.254 0.000 1.304 165 Y CB -0.495 38.007 38.460 0.070 0.000 1.209 165 Y HN 0.458 nan 8.280 nan 0.000 0.543 166 E N 0.015 120.434 120.200 0.366 0.000 2.244 166 E HA 0.348 4.698 4.350 -0.001 0.000 0.266 166 E C -0.838 175.810 176.600 0.080 0.000 0.914 166 E CA -1.439 55.102 56.400 0.235 0.000 0.794 166 E CB 1.587 31.329 29.700 0.070 0.000 1.210 166 E HN 0.009 nan 8.360 nan 0.000 0.414 167 Q N 1.946 121.748 119.800 0.004 0.000 2.361 167 Q HA -0.036 4.303 4.340 -0.001 0.000 0.276 167 Q C -0.720 175.181 176.000 -0.165 0.000 1.022 167 Q CA 0.497 56.165 55.803 -0.225 0.000 0.898 167 Q CB 0.573 29.180 28.738 -0.218 0.000 1.246 167 Q HN 0.248 nan 8.270 nan 0.000 0.410 168 Q N 1.795 121.405 119.800 -0.316 0.000 2.193 168 Q HA 0.312 4.651 4.340 -0.001 0.000 0.246 168 Q C -0.365 175.622 176.000 -0.021 0.000 0.959 168 Q CA -0.500 55.100 55.803 -0.338 0.000 0.904 168 Q CB 0.795 28.928 28.738 -1.010 0.000 1.238 168 Q HN 0.729 nan 8.270 nan 0.000 0.469 169 T N 1.532 116.047 114.554 -0.065 0.000 2.933 169 T HA 0.136 4.486 4.350 -0.001 0.000 0.306 169 T C 0.123 174.854 174.700 0.052 0.000 1.045 169 T CA 0.087 62.162 62.100 -0.041 0.000 1.143 169 T CB 0.159 68.983 68.868 -0.074 0.000 1.003 169 T HN 0.592 nan 8.240 nan 0.000 0.540 170 A N 3.216 126.099 122.820 0.105 0.000 2.498 170 A HA 0.171 4.491 4.320 -0.001 0.000 0.239 170 A C 1.008 178.682 177.584 0.150 0.000 1.068 170 A CA -0.357 51.766 52.037 0.142 0.000 0.766 170 A CB -0.043 19.071 19.000 0.191 0.000 1.003 170 A HN 1.107 nan 8.150 nan 0.000 0.497 171 W N 1.940 123.349 121.300 0.183 0.000 2.302 171 W HA -0.201 4.459 4.660 -0.001 0.000 0.320 171 W C -0.366 176.208 176.519 0.092 0.000 1.241 171 W CA 2.311 59.737 57.345 0.135 0.000 1.264 171 W CB -0.945 28.597 29.460 0.137 0.000 1.154 171 W HN 0.649 nan 8.180 nan 0.000 0.483 172 P HA -0.164 nan 4.420 nan 0.000 0.218 172 P C 1.483 178.872 177.300 0.148 0.000 1.148 172 P CA 1.731 64.955 63.100 0.206 0.000 0.822 172 P CB -0.328 31.474 31.700 0.170 0.000 0.784 173 V N 0.252 120.241 119.914 0.125 0.000 2.358 173 V HA -0.207 3.913 4.120 -0.001 0.000 0.246 173 V C 2.785 178.910 176.094 0.052 0.000 1.047 173 V CA 1.440 63.780 62.300 0.068 0.000 1.035 173 V CB -1.164 30.679 31.823 0.034 0.000 0.658 173 V HN 0.016 nan 8.190 nan 0.000 0.452 174 L N 0.288 121.549 121.223 0.062 0.000 2.012 174 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 174 L C 2.781 179.699 176.870 0.079 0.000 1.073 174 L CA 1.813 56.674 54.840 0.035 0.000 0.748 174 L CB -1.026 41.034 42.059 0.002 0.000 0.891 174 L HN 0.368 nan 8.230 nan 0.000 0.431 175 A N -0.434 122.468 122.820 0.137 0.000 1.978 175 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 175 A C 2.132 179.765 177.584 0.081 0.000 1.170 175 A CA 1.549 53.660 52.037 0.124 0.000 0.636 175 A CB -0.272 18.812 19.000 0.141 0.000 0.810 175 A HN 0.404 nan 8.150 nan 0.000 0.448 176 E N -0.566 119.675 120.200 0.069 0.000 2.400 176 E HA 0.026 4.375 4.350 -0.001 0.000 0.195 176 E C 0.845 177.464 176.600 0.032 0.000 1.012 176 E CA 0.420 56.849 56.400 0.050 0.000 0.875 176 E CB -0.048 29.681 29.700 0.049 0.000 0.859 176 E HN 0.701 nan 8.360 nan 0.000 0.498 177 N N -0.081 118.633 118.700 0.023 0.000 2.419 177 N HA 0.019 4.758 4.740 -0.001 0.000 0.216 177 N C 0.072 175.577 175.510 -0.007 0.000 1.118 177 N CA 0.197 53.249 53.050 0.005 0.000 0.850 177 N CB 0.765 39.248 38.487 -0.007 0.000 1.292 177 N HN -0.087 nan 8.380 nan 0.000 0.467 178 T N 1.662 116.208 114.554 -0.014 0.000 2.870 178 T HA 0.128 4.477 4.350 -0.001 0.000 0.300 178 T C 1.068 175.756 174.700 -0.020 0.000 0.989 178 T CA 0.416 62.494 62.100 -0.035 0.000 1.139 178 T CB 1.484 70.313 68.868 -0.065 0.000 0.920 178 T HN 0.133 nan 8.240 nan 0.000 0.537 179 E N 1.375 121.562 120.200 -0.022 0.000 2.340 179 E HA 0.166 4.515 4.350 -0.001 0.000 0.198 179 E C -0.175 176.417 176.600 -0.014 0.000 0.961 179 E CA 0.159 56.556 56.400 -0.006 0.000 0.905 179 E CB 0.755 30.458 29.700 0.005 0.000 0.884 179 E HN 0.270 nan 8.360 nan 0.000 0.491 180 V N 2.207 122.100 119.914 -0.036 0.000 2.488 180 V HA 0.276 4.396 4.120 -0.001 0.000 0.293 180 V C -1.050 174.959 176.094 -0.141 0.000 1.027 180 V CA -0.663 61.609 62.300 -0.045 0.000 0.862 180 V CB 1.596 33.443 31.823 0.040 0.000 1.008 180 V HN 0.107 nan 8.190 nan 0.000 0.428 181 M N 6.742 126.218 119.600 -0.207 0.000 2.149 181 M HA 0.650 5.129 4.480 -0.001 0.000 0.342 181 M C -1.136 174.889 176.300 -0.459 0.000 1.068 181 M CA -0.143 54.931 55.300 -0.378 0.000 0.991 181 M CB 1.471 33.822 32.600 -0.415 0.000 1.596 181 M HN 0.363 nan 8.290 nan 0.000 0.439 182 V N 6.530 126.150 119.914 -0.490 0.000 2.370 182 V HA 0.436 4.556 4.120 -0.001 0.000 0.283 182 V C -0.960 174.891 176.094 -0.404 0.000 1.023 182 V CA -0.426 61.657 62.300 -0.362 0.000 0.857 182 V CB 0.814 32.477 31.823 -0.268 0.000 0.985 182 V HN 0.665 nan 8.190 nan 0.000 0.443 183 F N 4.311 124.269 119.950 0.014 0.000 2.334 183 F HA 0.344 4.870 4.527 -0.001 0.000 0.365 183 F C 0.025 175.899 175.800 0.123 0.000 1.124 183 F CA -0.527 57.520 58.000 0.080 0.000 1.166 183 F CB 0.757 39.802 39.000 0.075 0.000 1.355 183 F HN 0.522 nan 8.300 nan 0.000 0.532 184 W N 4.572 125.960 121.300 0.146 0.000 2.308 184 W HA 0.488 5.148 4.660 -0.001 0.000 0.311 184 W C 0.299 176.886 176.519 0.113 0.000 1.088 184 W CA -1.046 56.370 57.345 0.119 0.000 1.309 184 W CB 1.112 30.620 29.460 0.079 0.000 1.229 184 W HN 0.723 nan 8.180 nan 0.000 0.427 185 A N 4.116 127.176 122.820 0.400 0.000 2.822 185 A HA 0.062 4.382 4.320 -0.001 0.000 0.287 185 A C -0.092 177.582 177.584 0.150 0.000 1.479 185 A CA 1.404 53.614 52.037 0.288 0.000 0.779 185 A CB -1.790 17.406 19.000 0.326 0.000 1.022 185 A HN 1.442 nan 8.150 nan 0.000 0.532 186 A N -0.584 122.322 122.820 0.144 0.000 2.422 186 A HA 0.682 5.001 4.320 -0.001 0.000 0.302 186 A C -0.485 177.135 177.584 0.060 0.000 1.041 186 A CA 0.266 52.323 52.037 0.033 0.000 0.708 186 A CB 1.230 20.280 19.000 0.083 0.000 1.257 186 A HN 0.780 nan 8.150 nan 0.000 0.414 187 D N 3.123 123.529 120.400 0.009 0.000 2.502 187 D HA 0.312 4.951 4.640 -0.001 0.000 0.301 187 D C -1.705 174.559 176.300 -0.060 0.000 1.202 187 D CA -1.660 52.333 54.000 -0.013 0.000 0.878 187 D CB 1.128 41.964 40.800 0.059 0.000 1.062 187 D HN 0.189 nan 8.370 nan 0.000 0.499 188 P HA -0.136 nan 4.420 nan 0.000 0.219 188 P C 1.754 178.911 177.300 -0.240 0.000 1.146 188 P CA 0.323 63.339 63.100 -0.139 0.000 0.808 188 P CB 0.669 32.258 31.700 -0.185 0.000 0.779 189 I N 0.662 121.088 120.570 -0.239 0.000 2.286 189 I HA -0.193 3.976 4.170 -0.001 0.000 0.248 189 I C 2.524 178.608 176.117 -0.054 0.000 1.115 189 I CA 1.516 62.726 61.300 -0.150 0.000 1.392 189 I CB -1.155 36.798 38.000 -0.077 0.000 1.065 189 I HN 0.094 nan 8.210 nan 0.000 0.418 190 K N 0.863 121.186 120.400 -0.128 0.000 2.007 190 K HA -0.136 4.184 4.320 -0.001 0.000 0.206 190 K C 1.934 178.339 176.600 -0.326 0.000 1.047 190 K CA 1.977 57.999 56.287 -0.441 0.000 0.937 190 K CB -0.030 32.315 32.500 -0.260 0.000 0.718 190 K HN 0.376 nan 8.250 nan 0.000 0.438 191 T N -1.796 112.673 114.554 -0.141 0.000 3.113 191 T HA 0.092 4.442 4.350 -0.001 0.000 0.256 191 T C 1.499 176.188 174.700 -0.020 0.000 1.131 191 T CA 0.561 62.619 62.100 -0.069 0.000 1.074 191 T CB 0.236 69.116 68.868 0.020 0.000 0.944 191 T HN -0.004 nan 8.240 nan 0.000 0.516 192 S N 1.561 117.252 115.700 -0.015 0.000 2.603 192 S HA 0.066 4.536 4.470 -0.001 0.000 0.220 192 S C 1.867 176.658 174.600 0.320 0.000 0.967 192 S CA -0.077 58.151 58.200 0.047 0.000 0.920 192 S CB -0.209 62.821 63.200 -0.283 0.000 0.773 192 S HN 0.616 nan 8.310 nan 0.000 0.529 193 Q N 0.540 120.487 119.800 0.244 0.000 2.224 193 Q HA -0.020 4.320 4.340 -0.001 0.000 0.203 193 Q C 0.610 176.828 176.000 0.364 0.000 0.970 193 Q CA 0.759 56.734 55.803 0.287 0.000 0.865 193 Q CB -0.299 28.505 28.738 0.109 0.000 0.922 193 Q HN 0.712 nan 8.270 nan 0.000 0.445 194 I N -4.276 116.371 120.570 0.128 0.000 3.067 194 I HA 0.770 4.940 4.170 -0.001 0.000 0.312 194 I C -0.207 175.935 176.117 0.042 0.000 1.073 194 I CA -1.058 60.244 61.300 0.003 0.000 1.016 194 I CB 2.106 39.918 38.000 -0.313 0.000 1.227 194 I HN -0.171 nan 8.210 nan 0.000 0.456 195 G N 1.123 109.984 108.800 0.102 0.000 2.563 195 G HA2 0.258 4.217 3.960 -0.001 0.000 0.302 195 G HA3 0.258 4.217 3.960 -0.001 0.000 0.302 195 G C -0.654 174.502 174.900 0.426 0.000 1.301 195 G CA -0.633 44.557 45.100 0.151 0.000 0.965 195 G HN 0.978 nan 8.290 nan 0.000 0.480 196 W N 1.864 123.248 121.300 0.139 0.000 2.408 196 W HA 0.009 4.668 4.660 -0.001 0.000 0.311 196 W C 0.815 177.390 176.519 0.093 0.000 1.190 196 W CA 1.892 59.219 57.345 -0.030 0.000 1.321 196 W CB -0.012 29.276 29.460 -0.287 0.000 1.143 196 W HN 0.439 nan 8.180 nan 0.000 0.501 197 V N -0.170 119.791 119.914 0.079 0.000 3.561 197 V HA 0.312 4.432 4.120 -0.001 0.000 0.290 197 V C 0.577 176.679 176.094 0.014 0.000 1.052 197 V CA -1.159 61.118 62.300 -0.039 0.000 0.973 197 V CB 0.364 32.180 31.823 -0.011 0.000 1.243 197 V HN -0.013 nan 8.190 nan 0.000 0.432 198 I N 2.963 123.525 120.570 -0.013 0.000 2.618 198 I HA 0.234 4.404 4.170 -0.001 0.000 0.284 198 I C -2.037 174.089 176.117 0.015 0.000 1.146 198 I CA -1.152 60.153 61.300 0.008 0.000 1.425 198 I CB 0.567 38.548 38.000 -0.032 0.000 1.383 198 I HN 0.578 nan 8.210 nan 0.000 0.562 199 P HA 0.077 nan 4.420 nan 0.000 0.282 199 P C -0.252 176.968 177.300 -0.134 0.000 1.249 199 P CA -0.256 62.792 63.100 -0.086 0.000 0.806 199 P CB 1.008 32.600 31.700 -0.180 0.000 0.984 200 E N 1.887 122.070 120.200 -0.029 0.000 2.481 200 E HA -0.079 4.270 4.350 -0.001 0.000 0.198 200 E C -0.145 176.522 176.600 0.112 0.000 1.027 200 E CA -0.023 56.427 56.400 0.084 0.000 0.900 200 E CB -1.028 28.782 29.700 0.183 0.000 0.993 200 E HN 0.605 nan 8.360 nan 0.000 0.482 201 H N -0.571 118.651 119.070 0.253 0.000 2.791 201 H HA -0.140 4.415 4.556 -0.001 0.000 0.302 201 H C 1.191 176.668 175.328 0.248 0.000 1.198 201 H CA 0.007 56.249 56.048 0.323 0.000 1.145 201 H CB -1.654 28.330 29.762 0.370 0.000 1.385 201 H HN 0.435 nan 8.280 nan 0.000 0.409 202 G N 0.020 108.963 108.800 0.239 0.000 2.509 202 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.218 202 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.218 202 G C 1.689 176.562 174.900 -0.044 0.000 1.124 202 G CA 0.642 45.833 45.100 0.152 0.000 0.776 202 G HN 0.621 nan 8.290 nan 0.000 0.547 203 A N 0.242 122.997 122.820 -0.107 0.000 1.969 203 A HA 0.088 4.408 4.320 -0.001 0.000 0.218 203 A C 2.071 179.172 177.584 -0.806 0.000 1.169 203 A CA 1.155 52.885 52.037 -0.512 0.000 0.635 203 A CB -0.477 18.293 19.000 -0.382 0.000 0.810 203 A HN 0.407 nan 8.150 nan 0.000 0.445 204 Y N 0.516 120.599 120.300 -0.362 0.000 2.145 204 Y HA -0.113 4.436 4.550 -0.001 0.000 0.286 204 Y C -0.087 175.606 175.900 -0.344 0.000 1.145 204 Y CA 1.888 59.717 58.100 -0.452 0.000 1.148 204 Y CB -1.592 36.547 38.460 -0.535 0.000 0.981 204 Y HN 0.319 nan 8.280 nan 0.000 0.507 205 P HA -0.069 nan 4.420 nan 0.000 0.219 205 P C 1.769 178.929 177.300 -0.234 0.000 1.150 205 P CA 1.972 65.017 63.100 -0.093 0.000 0.814 205 P CB -0.245 31.440 31.700 -0.026 0.000 0.787 206 G N 0.463 108.908 108.800 -0.593 0.000 2.404 206 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.215 206 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.215 206 G C 1.618 176.122 174.900 -0.659 0.000 1.174 206 G CA 0.461 45.019 45.100 -0.905 0.000 0.780 206 G HN 0.212 nan 8.290 nan 0.000 0.537 207 L N 0.075 120.866 121.223 -0.721 0.000 2.017 207 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 207 L C 2.784 179.760 176.870 0.176 0.000 1.073 207 L CA 1.576 56.325 54.840 -0.152 0.000 0.745 207 L CB -0.368 41.419 42.059 -0.454 0.000 0.894 207 L HN 0.268 nan 8.230 nan 0.000 0.432 208 E N 0.495 120.754 120.200 0.098 0.000 2.085 208 E HA -0.231 4.119 4.350 -0.001 0.000 0.194 208 E C 2.103 178.791 176.600 0.147 0.000 0.994 208 E CA 1.561 58.089 56.400 0.214 0.000 0.801 208 E CB -0.089 29.701 29.700 0.149 0.000 0.743 208 E HN 0.391 nan 8.360 nan 0.000 0.453 209 A N 0.359 123.240 122.820 0.100 0.000 1.930 209 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 209 A C 2.265 179.951 177.584 0.169 0.000 1.175 209 A CA 1.275 53.380 52.037 0.114 0.000 0.627 209 A CB -0.624 18.435 19.000 0.098 0.000 0.815 209 A HN 0.341 nan 8.150 nan 0.000 0.443 210 L N -0.755 120.616 121.223 0.247 0.000 2.056 210 L HA -0.185 4.155 4.340 -0.001 0.000 0.207 210 L C 2.652 179.711 176.870 0.314 0.000 1.078 210 L CA 1.928 56.944 54.840 0.293 0.000 0.749 210 L CB -0.475 41.817 42.059 0.388 0.000 0.901 210 L HN 0.471 nan 8.230 nan 0.000 0.433 211 K N 0.505 121.156 120.400 0.417 0.000 2.057 211 K HA -0.171 4.149 4.320 -0.001 0.000 0.207 211 K C 2.134 178.812 176.600 0.130 0.000 1.049 211 K CA 1.342 57.804 56.287 0.292 0.000 0.931 211 K CB -0.072 32.465 32.500 0.062 0.000 0.714 211 K HN 0.246 nan 8.250 nan 0.000 0.440 212 A N 1.283 124.164 122.820 0.101 0.000 1.972 212 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 212 A C 1.770 179.395 177.584 0.069 0.000 1.169 212 A CA 1.313 53.389 52.037 0.065 0.000 0.635 212 A CB -0.225 18.811 19.000 0.060 0.000 0.810 212 A HN 0.162 nan 8.150 nan 0.000 0.446 213 K N -1.266 119.188 120.400 0.091 0.000 2.418 213 K HA 0.071 4.390 4.320 -0.001 0.000 0.195 213 K C 1.181 177.822 176.600 0.069 0.000 1.035 213 K CA 0.751 57.083 56.287 0.076 0.000 1.003 213 K CB -0.388 32.163 32.500 0.084 0.000 0.793 213 K HN 0.783 nan 8.250 nan 0.000 0.494 214 G N 2.000 110.848 108.800 0.081 0.000 2.160 214 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.251 214 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.251 214 G C 0.148 175.087 174.900 0.065 0.000 1.008 214 G CA 0.598 45.740 45.100 0.070 0.000 0.724 214 G HN 0.239 nan 8.290 nan 0.000 0.514 215 T N 0.446 115.043 114.554 0.072 0.000 2.916 215 T HA 0.361 4.711 4.350 -0.001 0.000 0.303 215 T C 0.783 175.490 174.700 0.013 0.000 1.025 215 T CA 0.519 62.642 62.100 0.038 0.000 1.142 215 T CB 1.012 69.901 68.868 0.034 0.000 0.947 215 T HN 0.545 nan 8.240 nan 0.000 0.544 216 K N 3.276 123.675 120.400 -0.001 0.000 2.416 216 K HA 0.234 4.553 4.320 -0.001 0.000 0.283 216 K C -1.118 175.442 176.600 -0.066 0.000 1.037 216 K CA 0.008 56.290 56.287 -0.008 0.000 0.995 216 K CB 0.100 32.606 32.500 0.011 0.000 0.938 216 K HN 0.295 nan 8.250 nan 0.000 0.475 217 V N 6.681 126.544 119.914 -0.084 0.000 2.540 217 V HA 0.497 4.617 4.120 -0.001 0.000 0.302 217 V C -0.269 175.800 176.094 -0.041 0.000 1.035 217 V CA -0.780 61.418 62.300 -0.171 0.000 0.873 217 V CB 1.488 33.041 31.823 -0.450 0.000 0.992 217 V HN 0.692 nan 8.190 nan 0.000 0.428 218 I N 4.488 125.043 120.570 -0.025 0.000 2.466 218 I HA 0.544 4.713 4.170 -0.001 0.000 0.289 218 I C -0.806 175.350 176.117 0.066 0.000 1.026 218 I CA -0.753 60.571 61.300 0.039 0.000 1.078 218 I CB 2.257 40.295 38.000 0.063 0.000 1.249 218 I HN 0.277 nan 8.210 nan 0.000 0.429 219 V N 7.291 127.276 119.914 0.118 0.000 2.495 219 V HA 0.468 4.587 4.120 -0.001 0.000 0.298 219 V C -0.095 176.065 176.094 0.109 0.000 1.031 219 V CA -0.479 61.915 62.300 0.156 0.000 0.871 219 V CB 2.080 34.000 31.823 0.162 0.000 0.988 219 V HN 0.463 nan 8.190 nan 0.000 0.432 220 I N 4.566 125.129 120.570 -0.013 0.000 2.428 220 I HA 0.522 4.691 4.170 -0.001 0.000 0.279 220 I C -0.854 175.274 176.117 0.019 0.000 1.040 220 I CA 0.086 61.293 61.300 -0.155 0.000 1.171 220 I CB 0.973 38.532 38.000 -0.735 0.000 1.312 220 I HN 0.566 nan 8.210 nan 0.000 0.470 221 D N 8.130 128.619 120.400 0.149 0.000 2.836 221 D HA 0.207 4.847 4.640 -0.001 0.000 0.215 221 D C -2.299 174.149 176.300 0.245 0.000 1.255 221 D CA -1.287 52.833 54.000 0.201 0.000 0.822 221 D CB 3.480 44.406 40.800 0.210 0.000 1.656 221 D HN 0.066 nan 8.370 nan 0.000 0.511 222 P HA -0.036 nan 4.420 nan 0.000 0.225 222 P C 0.469 177.885 177.300 0.194 0.000 1.148 222 P CA 0.401 63.577 63.100 0.127 0.000 0.779 222 P CB 0.622 32.372 31.700 0.083 0.000 0.780 223 V N 0.914 120.972 119.914 0.240 0.000 2.555 223 V HA 0.299 4.418 4.120 -0.001 0.000 0.302 223 V C 0.774 176.984 176.094 0.193 0.000 1.038 223 V CA -1.065 61.364 62.300 0.215 0.000 0.887 223 V CB 2.172 34.094 31.823 0.164 0.000 0.991 223 V HN -0.114 nan 8.190 nan 0.000 0.434 224 R N 3.106 123.713 120.500 0.178 0.000 2.441 224 R HA 0.207 4.547 4.340 -0.001 0.000 0.300 224 R C 0.503 176.790 176.300 -0.021 0.000 1.284 224 R CA -0.081 55.993 56.100 -0.044 0.000 1.069 224 R CB -0.031 30.325 30.300 0.094 0.000 1.087 224 R HN 0.978 nan 8.270 nan 0.000 0.519 225 T N 0.210 114.739 114.554 -0.041 0.000 2.770 225 T HA 0.166 4.515 4.350 -0.001 0.000 0.281 225 T C 1.078 175.824 174.700 0.076 0.000 0.981 225 T CA -0.762 61.379 62.100 0.068 0.000 0.955 225 T CB 0.907 69.833 68.868 0.097 0.000 1.060 225 T HN 0.310 nan 8.240 nan 0.000 0.531 226 K N 0.234 120.722 120.400 0.147 0.000 2.362 226 K HA -0.005 4.314 4.320 -0.001 0.000 0.200 226 K C 2.282 178.963 176.600 0.136 0.000 1.046 226 K CA 0.798 57.174 56.287 0.150 0.000 0.952 226 K CB -1.104 31.534 32.500 0.231 0.000 0.753 226 K HN 0.689 nan 8.250 nan 0.000 0.466 227 T N 1.195 115.806 114.554 0.095 0.000 2.737 227 T HA -0.077 4.272 4.350 -0.001 0.000 0.265 227 T C 2.099 176.943 174.700 0.240 0.000 1.038 227 T CA 1.148 63.301 62.100 0.089 0.000 1.144 227 T CB -0.174 68.664 68.868 -0.049 0.000 0.866 227 T HN -0.104 nan 8.240 nan 0.000 0.434 228 V N 1.955 121.943 119.914 0.123 0.000 2.252 228 V HA -0.186 3.933 4.120 -0.001 0.000 0.249 228 V C 2.712 178.893 176.094 0.145 0.000 1.056 228 V CA 1.682 64.037 62.300 0.093 0.000 1.022 228 V CB -0.556 31.177 31.823 -0.149 0.000 0.641 228 V HN 0.440 nan 8.190 nan 0.000 0.445 229 E N -0.433 119.831 120.200 0.108 0.000 2.058 229 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 229 E C 2.040 178.705 176.600 0.109 0.000 0.997 229 E CA 1.593 58.052 56.400 0.097 0.000 0.801 229 E CB -0.537 29.211 29.700 0.080 0.000 0.746 229 E HN 0.625 nan 8.360 nan 0.000 0.450 230 F N 0.643 120.567 119.950 -0.043 0.000 2.091 230 F HA -0.246 4.280 4.527 -0.001 0.000 0.299 230 F C 1.950 177.621 175.800 -0.213 0.000 1.103 230 F CA 1.522 59.413 58.000 -0.181 0.000 1.228 230 F CB -0.241 38.554 39.000 -0.343 0.000 0.984 230 F HN -0.089 nan 8.300 nan 0.000 0.477 231 F N 0.224 120.241 119.950 0.110 0.000 2.754 231 F HA 0.292 4.818 4.527 -0.001 0.000 0.297 231 F C 1.911 177.713 175.800 0.003 0.000 1.122 231 F CA 0.638 58.652 58.000 0.024 0.000 1.400 231 F CB -0.576 38.530 39.000 0.177 0.000 1.117 231 F HN 0.081 nan 8.300 nan 0.000 0.587 232 G N 1.169 110.078 108.800 0.182 0.000 2.273 232 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.280 232 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.280 232 G C 0.408 175.404 174.900 0.160 0.000 1.047 232 G CA -0.039 45.136 45.100 0.124 0.000 0.869 232 G HN 0.639 nan 8.290 nan 0.000 0.502 233 A N -0.451 122.498 122.820 0.215 0.000 2.466 233 A HA 0.533 4.852 4.320 -0.001 0.000 0.238 233 A C 0.763 178.432 177.584 0.142 0.000 1.074 233 A CA 0.589 52.733 52.037 0.177 0.000 0.774 233 A CB 0.313 19.430 19.000 0.194 0.000 1.015 233 A HN 0.938 nan 8.150 nan 0.000 0.498 234 E N 1.011 121.278 120.200 0.113 0.000 2.351 234 E HA 0.035 4.385 4.350 -0.001 0.000 0.266 234 E C -0.352 176.343 176.600 0.158 0.000 1.031 234 E CA 0.134 56.597 56.400 0.106 0.000 0.911 234 E CB 0.124 29.861 29.700 0.063 0.000 0.986 234 E HN 0.727 nan 8.360 nan 0.000 0.446 235 H N 6.379 125.468 119.070 0.031 0.000 2.587 235 H HA 0.248 4.803 4.556 -0.001 0.000 0.325 235 H C -0.770 174.555 175.328 -0.005 0.000 1.012 235 H CA -1.197 54.867 56.048 0.026 0.000 1.213 235 H CB 0.631 30.423 29.762 0.050 0.000 1.431 235 H HN 0.410 nan 8.280 nan 0.000 0.492 236 I N 5.328 125.887 120.570 -0.018 0.000 2.331 236 I HA 0.056 4.226 4.170 -0.001 0.000 0.292 236 I C 0.662 176.646 176.117 -0.222 0.000 0.998 236 I CA -0.520 60.688 61.300 -0.153 0.000 1.267 236 I CB 1.131 39.047 38.000 -0.141 0.000 1.386 236 I HN 0.620 nan 8.210 nan 0.000 0.476 237 T N 4.768 119.164 114.554 -0.263 0.000 3.154 237 T HA 0.451 4.800 4.350 -0.001 0.000 0.381 237 T C -2.357 172.279 174.700 -0.108 0.000 1.368 237 T CA -1.746 60.234 62.100 -0.200 0.000 1.155 237 T CB 0.659 69.379 68.868 -0.247 0.000 1.120 237 T HN 0.334 nan 8.240 nan 0.000 0.570 238 P HA 0.278 nan 4.420 nan 0.000 0.275 238 P C -0.369 176.907 177.300 -0.040 0.000 1.228 238 P CA -0.621 62.452 63.100 -0.044 0.000 0.786 238 P CB 1.068 32.774 31.700 0.010 0.000 0.927 239 K N 3.326 123.694 120.400 -0.053 0.000 2.451 239 K HA 0.157 4.476 4.320 -0.001 0.000 0.280 239 K C -2.083 174.476 176.600 -0.068 0.000 1.020 239 K CA -1.275 54.978 56.287 -0.057 0.000 1.008 239 K CB -0.659 31.813 32.500 -0.047 0.000 0.917 239 K HN 0.368 nan 8.250 nan 0.000 0.478 240 P HA -0.109 nan 4.420 nan 0.000 0.265 240 P C -0.737 176.490 177.300 -0.121 0.000 1.187 240 P CA 0.525 63.458 63.100 -0.278 0.000 0.766 240 P CB 0.509 31.690 31.700 -0.864 0.000 0.820 241 Q N -0.685 119.138 119.800 0.038 0.000 2.464 241 Q HA -0.144 4.195 4.340 -0.001 0.000 0.246 241 Q C 0.301 176.486 176.000 0.307 0.000 0.763 241 Q CA 1.374 57.284 55.803 0.178 0.000 1.233 241 Q CB -2.718 26.138 28.738 0.196 0.000 1.361 241 Q HN 0.722 nan 8.270 nan 0.000 0.699 242 T N -4.725 109.955 114.554 0.211 0.000 3.091 242 T HA 0.110 4.459 4.350 -0.001 0.000 0.277 242 T C 0.785 175.561 174.700 0.128 0.000 0.996 242 T CA 0.138 62.322 62.100 0.140 0.000 0.897 242 T CB 0.311 69.142 68.868 -0.061 0.000 1.109 242 T HN 0.097 nan 8.240 nan 0.000 0.534 243 D N 1.734 122.273 120.400 0.233 0.000 2.158 243 D HA -0.101 4.538 4.640 -0.001 0.000 0.197 243 D C 1.947 178.390 176.300 0.239 0.000 0.995 243 D CA 1.070 55.259 54.000 0.315 0.000 0.846 243 D CB 0.144 41.148 40.800 0.339 0.000 0.941 243 D HN 0.303 nan 8.370 nan 0.000 0.456 244 V N 1.602 121.666 119.914 0.249 0.000 2.427 244 V HA -0.204 3.916 4.120 -0.001 0.000 0.248 244 V C 2.593 178.855 176.094 0.280 0.000 1.051 244 V CA 1.607 64.070 62.300 0.271 0.000 1.048 244 V CB -0.566 31.493 31.823 0.393 0.000 0.666 244 V HN 0.167 nan 8.190 nan 0.000 0.456 245 A N -0.018 122.860 122.820 0.098 0.000 1.902 245 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 245 A C 2.170 179.776 177.584 0.037 0.000 1.181 245 A CA 1.847 53.800 52.037 -0.140 0.000 0.623 245 A CB -0.505 17.878 19.000 -1.028 0.000 0.818 245 A HN 0.498 nan 8.150 nan 0.000 0.443 246 I N -0.675 119.927 120.570 0.054 0.000 2.179 246 I HA -0.323 3.847 4.170 -0.001 0.000 0.242 246 I C 2.750 179.028 176.117 0.267 0.000 1.088 246 I CA 1.673 63.064 61.300 0.152 0.000 1.357 246 I CB -0.331 37.810 38.000 0.235 0.000 1.051 246 I HN 0.341 nan 8.210 nan 0.000 0.409 247 M N -0.037 119.742 119.600 0.299 0.000 2.108 247 M HA -0.251 4.228 4.480 -0.001 0.000 0.261 247 M C 2.363 178.808 176.300 0.241 0.000 1.066 247 M CA 1.909 57.358 55.300 0.248 0.000 1.107 247 M CB -0.485 32.155 32.600 0.066 0.000 1.356 247 M HN 0.255 nan 8.290 nan 0.000 0.406 248 L N -0.516 120.868 121.223 0.269 0.000 2.083 248 L HA -0.122 4.217 4.340 -0.001 0.000 0.209 248 L C 2.711 179.724 176.870 0.239 0.000 1.083 248 L CA 1.280 56.287 54.840 0.279 0.000 0.752 248 L CB -1.157 41.098 42.059 0.326 0.000 0.899 248 L HN 0.416 nan 8.230 nan 0.000 0.433 249 G N -0.370 108.582 108.800 0.254 0.000 2.418 249 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 249 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 249 G C 1.621 176.632 174.900 0.186 0.000 1.158 249 G CA 0.668 45.888 45.100 0.201 0.000 0.771 249 G HN 0.196 nan 8.290 nan 0.000 0.545 250 M N 0.760 120.474 119.600 0.190 0.000 2.099 250 M HA 0.037 4.516 4.480 -0.001 0.000 0.262 250 M C 3.083 179.486 176.300 0.172 0.000 1.067 250 M CA 1.404 56.807 55.300 0.171 0.000 1.124 250 M CB -0.264 32.473 32.600 0.228 0.000 1.353 250 M HN 0.292 nan 8.290 nan 0.000 0.410 251 A N -0.417 122.520 122.820 0.196 0.000 1.908 251 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 251 A C 2.075 179.730 177.584 0.119 0.000 1.181 251 A CA 1.895 54.038 52.037 0.176 0.000 0.627 251 A CB -1.298 17.854 19.000 0.252 0.000 0.818 251 A HN 0.590 nan 8.150 nan 0.000 0.445 252 H N 0.094 119.186 119.070 0.036 0.000 2.319 252 H HA -0.122 4.433 4.556 -0.001 0.000 0.299 252 H C 1.985 177.319 175.328 0.010 0.000 1.092 252 H CA 2.174 58.209 56.048 -0.022 0.000 1.302 252 H CB -0.337 29.390 29.762 -0.058 0.000 1.373 252 H HN 0.429 nan 8.280 nan 0.000 0.497 253 T N 1.809 116.451 114.554 0.148 0.000 2.759 253 T HA -0.109 4.240 4.350 -0.001 0.000 0.269 253 T C 2.430 177.151 174.700 0.035 0.000 1.042 253 T CA 1.264 63.420 62.100 0.094 0.000 1.140 253 T CB -0.271 68.656 68.868 0.099 0.000 0.864 253 T HN 0.258 nan 8.240 nan 0.000 0.455 254 L N 0.539 121.799 121.223 0.061 0.000 2.141 254 L HA -0.050 4.289 4.340 -0.001 0.000 0.209 254 L C 2.542 179.506 176.870 0.156 0.000 1.094 254 L CA 0.685 55.593 54.840 0.113 0.000 0.763 254 L CB -0.559 41.590 42.059 0.150 0.000 0.908 254 L HN 0.168 nan 8.230 nan 0.000 0.437 255 V N -0.259 119.663 119.914 0.012 0.000 2.379 255 V HA -0.115 4.004 4.120 -0.001 0.000 0.243 255 V C 2.701 178.785 176.094 -0.017 0.000 1.035 255 V CA 1.525 63.847 62.300 0.036 0.000 1.035 255 V CB -0.609 31.128 31.823 -0.143 0.000 0.673 255 V HN 0.413 nan 8.190 nan 0.000 0.457 256 A N -0.263 122.443 122.820 -0.190 0.000 1.972 256 A HA -0.217 4.102 4.320 -0.001 0.000 0.219 256 A C 1.985 179.551 177.584 -0.031 0.000 1.169 256 A CA 1.751 53.697 52.037 -0.152 0.000 0.635 256 A CB -0.388 18.491 19.000 -0.200 0.000 0.810 256 A HN 0.643 nan 8.150 nan 0.000 0.446 257 E N -1.089 119.112 120.200 0.002 0.000 2.465 257 E HA 0.070 4.420 4.350 -0.001 0.000 0.191 257 E C -0.420 176.203 176.600 0.037 0.000 1.053 257 E CA 0.180 56.594 56.400 0.023 0.000 0.869 257 E CB 0.065 29.782 29.700 0.027 0.000 0.977 257 E HN 0.498 nan 8.360 nan 0.000 0.483 258 D N 0.158 120.597 120.400 0.064 0.000 2.699 258 D HA -0.196 4.443 4.640 -0.001 0.000 0.239 258 D C 0.194 176.518 176.300 0.039 0.000 1.136 258 D CA 0.463 54.502 54.000 0.064 0.000 0.668 258 D CB -1.033 39.779 40.800 0.020 0.000 1.060 258 D HN 0.274 nan 8.370 nan 0.000 0.429 259 L N -0.529 120.752 121.223 0.097 0.000 2.537 259 L HA 0.129 4.469 4.340 -0.001 0.000 0.224 259 L C 1.271 178.183 176.870 0.070 0.000 1.065 259 L CA -0.444 54.434 54.840 0.064 0.000 0.860 259 L CB -0.206 41.902 42.059 0.083 0.000 1.086 259 L HN 0.289 nan 8.230 nan 0.000 0.482 260 Y N -0.498 119.809 120.300 0.012 0.000 2.426 260 Y HA 0.131 4.680 4.550 -0.001 0.000 0.344 260 Y C 0.343 176.240 175.900 -0.005 0.000 1.256 260 Y CA -1.228 56.876 58.100 0.006 0.000 1.451 260 Y CB -0.091 38.372 38.460 0.006 0.000 1.342 260 Y HN -0.111 nan 8.280 nan 0.000 0.600 261 D N 2.514 122.929 120.400 0.026 0.000 2.455 261 D HA 0.049 4.689 4.640 -0.001 0.000 0.234 261 D C 0.394 176.629 176.300 -0.108 0.000 1.224 261 D CA 0.152 54.123 54.000 -0.048 0.000 0.999 261 D CB 0.334 41.172 40.800 0.064 0.000 1.072 261 D HN 0.741 nan 8.370 nan 0.000 0.514 262 K N 1.586 121.763 120.400 -0.373 0.000 2.057 262 K HA -0.140 4.179 4.320 -0.001 0.000 0.207 262 K C 1.167 177.730 176.600 -0.061 0.000 1.049 262 K CA 1.023 57.134 56.287 -0.294 0.000 0.931 262 K CB 0.313 32.612 32.500 -0.334 0.000 0.714 262 K HN 0.333 nan 8.250 nan 0.000 0.440 263 D N 0.403 120.791 120.400 -0.020 0.000 2.097 263 D HA -0.176 4.463 4.640 -0.001 0.000 0.195 263 D C 1.660 178.023 176.300 0.105 0.000 0.989 263 D CA 0.980 54.999 54.000 0.033 0.000 0.827 263 D CB -0.316 40.510 40.800 0.043 0.000 0.966 263 D HN 0.089 nan 8.370 nan 0.000 0.456 264 F N 1.377 121.366 119.950 0.064 0.000 2.134 264 F HA -0.177 4.350 4.527 -0.001 0.000 0.299 264 F C 2.113 178.016 175.800 0.173 0.000 1.097 264 F CA 1.000 59.096 58.000 0.160 0.000 1.264 264 F CB 0.002 39.016 39.000 0.023 0.000 1.001 264 F HN -0.142 nan 8.300 nan 0.000 0.479 265 I N 0.516 121.198 120.570 0.187 0.000 2.226 265 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 265 I C 2.698 178.816 176.117 0.002 0.000 1.100 265 I CA 1.493 62.830 61.300 0.061 0.000 1.374 265 I CB -1.989 35.955 38.000 -0.093 0.000 1.057 265 I HN 0.248 nan 8.210 nan 0.000 0.413 266 A N 0.909 123.726 122.820 -0.005 0.000 1.930 266 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 266 A C 1.980 179.508 177.584 -0.093 0.000 1.175 266 A CA 1.464 53.489 52.037 -0.020 0.000 0.627 266 A CB -0.436 18.553 19.000 -0.018 0.000 0.815 266 A HN 0.433 nan 8.150 nan 0.000 0.443 267 N N -2.102 116.494 118.700 -0.173 0.000 2.405 267 N HA 0.055 4.794 4.740 -0.001 0.000 0.175 267 N C 0.341 175.461 175.510 -0.651 0.000 1.051 267 N CA 0.924 53.738 53.050 -0.395 0.000 0.899 267 N CB -0.023 38.167 38.487 -0.495 0.000 1.000 267 N HN 0.641 nan 8.380 nan 0.000 0.451 268 Y N -0.343 119.700 120.300 -0.427 0.000 2.527 268 Y HA 0.200 4.749 4.550 -0.001 0.000 0.247 268 Y C 0.828 176.678 175.900 -0.084 0.000 1.138 268 Y CA -0.391 57.477 58.100 -0.387 0.000 1.228 268 Y CB 0.608 38.460 38.460 -1.013 0.000 1.252 268 Y HN -0.119 nan 8.280 nan 0.000 0.531 269 T N -2.800 111.780 114.554 0.043 0.000 2.930 269 T HA 0.684 5.033 4.350 -0.001 0.000 0.290 269 T C -0.493 174.286 174.700 0.132 0.000 1.052 269 T CA -0.875 61.310 62.100 0.142 0.000 1.017 269 T CB 2.219 71.197 68.868 0.183 0.000 1.137 269 T HN -0.086 nan 8.240 nan 0.000 0.511 270 S N -0.633 115.169 115.700 0.170 0.000 2.521 270 S HA 0.628 5.098 4.470 -0.001 0.000 0.295 270 S C 1.022 175.754 174.600 0.221 0.000 1.098 270 S CA 0.482 58.781 58.200 0.165 0.000 0.999 270 S CB 0.615 63.901 63.200 0.142 0.000 1.034 270 S HN 2.352 nan 8.310 nan 0.000 0.483 271 G N 3.285 112.208 108.800 0.204 0.000 2.159 271 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.256 271 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.256 271 G C 0.556 175.609 174.900 0.254 0.000 0.977 271 G CA 0.465 45.697 45.100 0.220 0.000 0.652 271 G HN 0.924 nan 8.290 nan 0.000 0.531 272 F N 2.628 122.659 119.950 0.134 0.000 2.202 272 F HA -0.062 4.465 4.527 -0.001 0.000 0.301 272 F C 2.345 178.229 175.800 0.139 0.000 1.082 272 F CA 2.330 60.424 58.000 0.157 0.000 1.313 272 F CB 0.030 39.122 39.000 0.153 0.000 1.024 272 F HN 0.322 nan 8.300 nan 0.000 0.495 273 D N -0.245 120.257 120.400 0.171 0.000 2.264 273 D HA -0.196 4.443 4.640 -0.001 0.000 0.208 273 D C 1.546 177.793 176.300 -0.090 0.000 0.966 273 D CA 1.263 55.283 54.000 0.034 0.000 0.864 273 D CB -0.784 40.051 40.800 0.059 0.000 0.933 273 D HN 0.332 nan 8.370 nan 0.000 0.499 274 K N -1.324 119.020 120.400 -0.093 0.000 2.400 274 K HA 0.110 4.430 4.320 -0.001 0.000 0.194 274 K C 1.151 177.667 176.600 -0.140 0.000 1.033 274 K CA -0.001 56.195 56.287 -0.151 0.000 1.021 274 K CB 0.012 32.289 32.500 -0.371 0.000 0.808 274 K HN 0.122 nan 8.250 nan 0.000 0.505 275 F N 0.725 120.435 119.950 -0.399 0.000 2.446 275 F HA 0.076 4.602 4.527 -0.001 0.000 0.292 275 F C 1.587 177.048 175.800 -0.565 0.000 1.096 275 F CA 0.089 57.705 58.000 -0.640 0.000 1.438 275 F CB 0.010 38.673 39.000 -0.562 0.000 1.107 275 F HN -0.155 nan 8.300 nan 0.000 0.546 276 L N 1.921 122.697 121.223 -0.746 0.000 2.013 276 L HA -0.084 4.255 4.340 -0.001 0.000 0.212 276 L C -0.895 175.674 176.870 -0.502 0.000 1.073 276 L CA 2.332 56.739 54.840 -0.722 0.000 0.753 276 L CB -1.815 39.915 42.059 -0.548 0.000 0.890 276 L HN -0.011 nan 8.230 nan 0.000 0.432 277 P HA -0.226 nan 4.420 nan 0.000 0.215 277 P C 1.325 178.470 177.300 -0.258 0.000 1.153 277 P CA 1.520 64.479 63.100 -0.235 0.000 0.853 277 P CB -0.286 31.325 31.700 -0.148 0.000 0.788 278 Y N 0.472 120.522 120.300 -0.417 0.000 2.181 278 Y HA -0.164 4.385 4.550 -0.001 0.000 0.288 278 Y C 2.074 177.676 175.900 -0.497 0.000 1.146 278 Y CA 1.162 59.027 58.100 -0.392 0.000 1.164 278 Y CB -1.120 37.097 38.460 -0.404 0.000 0.982 278 Y HN -0.218 nan 8.280 nan 0.000 0.515 279 L N 0.649 121.379 121.223 -0.822 0.000 2.083 279 L HA -0.173 4.166 4.340 -0.001 0.000 0.209 279 L C 1.572 178.157 176.870 -0.475 0.000 1.083 279 L CA 2.183 56.552 54.840 -0.786 0.000 0.752 279 L CB -0.829 40.759 42.059 -0.785 0.000 0.899 279 L HN 0.162 nan 8.230 nan 0.000 0.433 280 D N -0.237 119.939 120.400 -0.374 0.000 2.363 280 D HA 0.112 4.751 4.640 -0.001 0.000 0.220 280 D C 1.674 177.825 176.300 -0.249 0.000 0.994 280 D CA 1.014 54.889 54.000 -0.209 0.000 0.890 280 D CB 0.043 40.735 40.800 -0.179 0.000 0.906 280 D HN 0.520 nan 8.370 nan 0.000 0.530 281 G N 1.115 109.691 108.800 -0.374 0.000 2.143 281 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.249 281 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.249 281 G C 0.926 175.705 174.900 -0.202 0.000 0.981 281 G CA 0.448 45.352 45.100 -0.325 0.000 0.665 281 G HN 0.386 nan 8.290 nan 0.000 0.528 282 E N -0.227 119.871 120.200 -0.170 0.000 2.208 282 E HA -0.035 4.314 4.350 -0.001 0.000 0.193 282 E C 2.602 179.155 176.600 -0.078 0.000 0.988 282 E CA 1.495 57.829 56.400 -0.109 0.000 0.828 282 E CB -0.115 29.525 29.700 -0.099 0.000 0.763 282 E HN 0.699 nan 8.360 nan 0.000 0.478 283 T N -0.710 113.804 114.554 -0.067 0.000 3.067 283 T HA -0.049 4.301 4.350 -0.001 0.000 0.257 283 T C 0.922 175.616 174.700 -0.011 0.000 1.105 283 T CA 0.983 63.075 62.100 -0.013 0.000 1.104 283 T CB 0.086 68.986 68.868 0.053 0.000 0.925 283 T HN 0.120 nan 8.240 nan 0.000 0.498 284 D N -0.668 119.701 120.400 -0.052 0.000 2.563 284 D HA 0.171 4.811 4.640 -0.001 0.000 0.256 284 D C 0.342 176.596 176.300 -0.077 0.000 1.400 284 D CA -0.104 53.870 54.000 -0.043 0.000 0.800 284 D CB -0.460 40.332 40.800 -0.013 0.000 1.145 284 D HN 0.186 nan 8.370 nan 0.000 0.501 285 S N -0.834 114.808 115.700 -0.096 0.000 3.445 285 S HA -0.152 4.317 4.470 -0.001 0.000 0.319 285 S C 0.069 174.587 174.600 -0.138 0.000 1.209 285 S CA 1.274 59.416 58.200 -0.097 0.000 0.934 285 S CB -2.168 60.998 63.200 -0.057 0.000 0.999 285 S HN 0.544 nan 8.310 nan 0.000 0.582 286 T N 1.915 116.333 114.554 -0.226 0.000 3.209 286 T HA 0.386 4.736 4.350 -0.001 0.000 0.366 286 T C -2.886 171.498 174.700 -0.526 0.000 1.293 286 T CA -1.163 60.740 62.100 -0.328 0.000 1.417 286 T CB 1.324 69.992 68.868 -0.333 0.000 1.013 286 T HN -0.080 nan 8.240 nan 0.000 0.572 287 P HA 0.041 nan 4.420 nan 0.000 0.262 287 P C 0.067 176.948 177.300 -0.698 0.000 1.182 287 P CA -0.287 62.539 63.100 -0.457 0.000 0.761 287 P CB 0.497 32.019 31.700 -0.296 0.000 0.795 288 K N 2.275 122.206 120.400 -0.782 0.000 2.737 288 K HA 0.108 4.427 4.320 -0.001 0.000 0.251 288 K C 0.669 176.977 176.600 -0.486 0.000 1.280 288 K CA 0.104 55.865 56.287 -0.877 0.000 1.219 288 K CB -1.221 30.767 32.500 -0.855 0.000 1.587 288 K HN 0.489 nan 8.250 nan 0.000 0.279 289 T N -2.953 111.282 114.554 -0.532 0.000 2.766 289 T HA 0.247 4.597 4.350 -0.001 0.000 0.295 289 T C 1.640 176.318 174.700 -0.035 0.000 1.024 289 T CA -0.090 61.711 62.100 -0.498 0.000 1.018 289 T CB 1.218 69.869 68.868 -0.361 0.000 1.002 289 T HN 0.251 nan 8.240 nan 0.000 0.532 290 A N 0.646 123.464 122.820 -0.003 0.000 1.940 290 A HA -0.077 4.242 4.320 -0.001 0.000 0.219 290 A C 2.210 179.794 177.584 -0.000 0.000 1.176 290 A CA 1.813 53.869 52.037 0.031 0.000 0.631 290 A CB -1.042 17.977 19.000 0.031 0.000 0.814 290 A HN 0.927 nan 8.150 nan 0.000 0.446 291 E N -1.366 118.830 120.200 -0.006 0.000 2.072 291 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 291 E C 1.575 178.166 176.600 -0.014 0.000 0.985 291 E CA 1.331 57.720 56.400 -0.019 0.000 0.801 291 E CB -0.388 29.304 29.700 -0.014 0.000 0.750 291 E HN 0.871 nan 8.360 nan 0.000 0.452 292 W N 1.202 122.402 121.300 -0.167 0.000 2.363 292 W HA -0.150 4.509 4.660 -0.001 0.000 0.296 292 W C 2.104 178.501 176.519 -0.203 0.000 1.212 292 W CA 2.034 59.269 57.345 -0.183 0.000 1.260 292 W CB -0.239 29.090 29.460 -0.219 0.000 1.131 292 W HN 0.045 nan 8.180 nan 0.000 0.530 293 A N -0.009 122.686 122.820 -0.209 0.000 1.968 293 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 293 A C 1.972 179.315 177.584 -0.402 0.000 1.169 293 A CA 1.634 53.374 52.037 -0.495 0.000 0.638 293 A CB -0.926 17.986 19.000 -0.146 0.000 0.812 293 A HN 0.551 nan 8.150 nan 0.000 0.446 294 E N -0.114 119.942 120.200 -0.240 0.000 2.106 294 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 294 E C 2.012 178.468 176.600 -0.240 0.000 0.984 294 E CA 1.009 57.292 56.400 -0.196 0.000 0.806 294 E CB -0.458 29.169 29.700 -0.122 0.000 0.750 294 E HN 0.471 nan 8.360 nan 0.000 0.458 295 G N 1.084 109.714 108.800 -0.284 0.000 2.442 295 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.219 295 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.219 295 G C 1.547 176.250 174.900 -0.327 0.000 1.141 295 G CA 1.017 45.954 45.100 -0.271 0.000 0.763 295 G HN 0.275 nan 8.290 nan 0.000 0.554 296 I N 0.833 121.092 120.570 -0.519 0.000 2.429 296 I HA -0.054 4.116 4.170 -0.001 0.000 0.247 296 I C 2.946 178.861 176.117 -0.337 0.000 1.099 296 I CA 1.382 62.380 61.300 -0.503 0.000 1.422 296 I CB 0.071 37.512 38.000 -0.932 0.000 1.112 296 I HN 0.324 nan 8.210 nan 0.000 0.430 297 S N -0.225 115.268 115.700 -0.346 0.000 2.503 297 S HA 0.189 4.658 4.470 -0.001 0.000 0.217 297 S C 1.746 176.256 174.600 -0.149 0.000 0.999 297 S CA 0.528 58.601 58.200 -0.212 0.000 0.914 297 S CB 0.587 63.667 63.200 -0.201 0.000 0.782 297 S HN 0.581 nan 8.310 nan 0.000 0.520 298 G N 0.524 109.231 108.800 -0.156 0.000 2.234 298 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.260 298 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.260 298 G C 0.105 174.941 174.900 -0.107 0.000 0.987 298 G CA 0.148 45.178 45.100 -0.117 0.000 0.625 298 G HN 0.761 nan 8.290 nan 0.000 0.532 299 V N 2.579 122.426 119.914 -0.112 0.000 2.530 299 V HA 0.394 4.514 4.120 -0.001 0.000 0.282 299 V C -1.457 174.582 176.094 -0.090 0.000 1.048 299 V CA -1.289 60.952 62.300 -0.098 0.000 0.997 299 V CB 1.286 33.053 31.823 -0.093 0.000 0.987 299 V HN 0.106 nan 8.190 nan 0.000 0.477 300 P HA 0.023 nan 4.420 nan 0.000 0.262 300 P C 0.602 177.865 177.300 -0.061 0.000 1.182 300 P CA 0.367 63.427 63.100 -0.066 0.000 0.761 300 P CB 0.680 32.346 31.700 -0.058 0.000 0.795 301 A N 4.579 127.366 122.820 -0.055 0.000 1.917 301 A HA -0.239 4.080 4.320 -0.001 0.000 0.219 301 A C 1.932 179.496 177.584 -0.033 0.000 1.182 301 A CA 1.556 53.568 52.037 -0.041 0.000 0.633 301 A CB -0.869 18.111 19.000 -0.034 0.000 0.819 301 A HN 0.480 nan 8.150 nan 0.000 0.448 302 E N -0.420 119.759 120.200 -0.034 0.000 2.153 302 E HA -0.112 4.237 4.350 -0.001 0.000 0.194 302 E C 2.120 178.692 176.600 -0.047 0.000 0.988 302 E CA 1.614 57.994 56.400 -0.033 0.000 0.811 302 E CB -0.852 28.830 29.700 -0.030 0.000 0.746 302 E HN 0.624 nan 8.360 nan 0.000 0.466 303 T N 1.502 116.022 114.554 -0.056 0.000 2.821 303 T HA -0.051 4.299 4.350 -0.001 0.000 0.267 303 T C 2.112 176.757 174.700 -0.090 0.000 1.046 303 T CA 0.709 62.765 62.100 -0.074 0.000 1.139 303 T CB -0.144 68.679 68.868 -0.075 0.000 0.871 303 T HN 0.105 nan 8.240 nan 0.000 0.454 304 I N 0.875 121.404 120.570 -0.068 0.000 2.142 304 I HA -0.216 3.953 4.170 -0.001 0.000 0.240 304 I C 2.492 178.572 176.117 -0.062 0.000 1.078 304 I CA 1.466 62.733 61.300 -0.054 0.000 1.343 304 I CB -0.265 37.726 38.000 -0.015 0.000 1.046 304 I HN 0.218 nan 8.210 nan 0.000 0.405 305 K N 0.579 120.955 120.400 -0.040 0.000 2.097 305 K HA -0.194 4.125 4.320 -0.001 0.000 0.206 305 K C 1.967 178.518 176.600 -0.081 0.000 1.049 305 K CA 1.452 57.718 56.287 -0.035 0.000 0.933 305 K CB -0.201 32.293 32.500 -0.009 0.000 0.717 305 K HN 0.380 nan 8.250 nan 0.000 0.442 306 E N 0.524 120.666 120.200 -0.098 0.000 2.106 306 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 306 E C 1.848 178.320 176.600 -0.214 0.000 0.984 306 E CA 0.669 56.998 56.400 -0.118 0.000 0.806 306 E CB 0.050 29.696 29.700 -0.091 0.000 0.750 306 E HN 0.067 nan 8.360 nan 0.000 0.458 307 L N 0.684 121.725 121.223 -0.304 0.000 2.027 307 L HA -0.101 4.238 4.340 -0.001 0.000 0.206 307 L C 2.380 178.725 176.870 -0.875 0.000 1.074 307 L CA 1.762 56.209 54.840 -0.655 0.000 0.745 307 L CB -1.427 40.264 42.059 -0.614 0.000 0.898 307 L HN 0.065 nan 8.230 nan 0.000 0.433 308 A N -0.283 122.274 122.820 -0.437 0.000 1.883 308 A HA -0.253 4.066 4.320 -0.001 0.000 0.217 308 A C 2.447 179.954 177.584 -0.129 0.000 1.186 308 A CA 1.873 53.786 52.037 -0.207 0.000 0.624 308 A CB -0.479 18.508 19.000 -0.021 0.000 0.822 308 A HN 0.397 nan 8.150 nan 0.000 0.444 309 R N -1.184 119.247 120.500 -0.115 0.000 2.081 309 R HA -0.073 4.266 4.340 -0.001 0.000 0.235 309 R C 2.144 178.419 176.300 -0.043 0.000 1.131 309 R CA 1.318 57.388 56.100 -0.049 0.000 0.960 309 R CB -0.594 29.681 30.300 -0.041 0.000 0.856 309 R HN 0.497 nan 8.270 nan 0.000 0.436 310 L N 0.403 121.556 121.223 -0.116 0.000 1.994 310 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 310 L C 1.838 178.775 176.870 0.113 0.000 1.071 310 L CA 1.792 56.608 54.840 -0.040 0.000 0.745 310 L CB -0.457 41.545 42.059 -0.095 0.000 0.892 310 L HN -0.022 nan 8.230 nan 0.000 0.431 311 F N 0.245 120.207 119.950 0.020 0.000 2.171 311 F HA -0.151 4.376 4.527 -0.001 0.000 0.300 311 F C 2.638 178.448 175.800 0.016 0.000 1.090 311 F CA 1.367 59.381 58.000 0.023 0.000 1.293 311 F CB -1.345 37.686 39.000 0.053 0.000 1.013 311 F HN 0.273 nan 8.300 nan 0.000 0.486 312 E N 0.601 120.919 120.200 0.197 0.000 2.204 312 E HA -0.143 4.206 4.350 -0.001 0.000 0.194 312 E C 2.001 178.644 176.600 0.072 0.000 0.989 312 E CA 1.429 57.898 56.400 0.115 0.000 0.824 312 E CB -0.241 29.514 29.700 0.092 0.000 0.756 312 E HN 0.275 nan 8.360 nan 0.000 0.477 313 S N -1.292 114.448 115.700 0.067 0.000 2.535 313 S HA 0.191 4.661 4.470 -0.001 0.000 0.214 313 S C 0.473 175.096 174.600 0.040 0.000 0.980 313 S CA -0.444 57.780 58.200 0.041 0.000 0.907 313 S CB 0.267 63.484 63.200 0.028 0.000 0.790 313 S HN -0.104 nan 8.310 nan 0.000 0.510 314 K N 1.361 121.796 120.400 0.058 0.000 2.328 314 K HA 0.443 4.763 4.320 -0.001 0.000 0.246 314 K C -0.887 175.730 176.600 0.028 0.000 0.955 314 K CA -0.907 55.406 56.287 0.043 0.000 0.817 314 K CB 1.340 33.873 32.500 0.055 0.000 1.208 314 K HN 0.014 nan 8.250 nan 0.000 0.432 315 R N 1.067 121.569 120.500 0.004 0.000 2.446 315 R HA 0.099 4.438 4.340 -0.001 0.000 0.325 315 R C -0.837 175.443 176.300 -0.035 0.000 0.997 315 R CA 0.734 56.822 56.100 -0.021 0.000 1.010 315 R CB -0.613 29.671 30.300 -0.026 0.000 0.946 315 R HN 0.474 nan 8.270 nan 0.000 0.422 316 T N 5.279 119.801 114.554 -0.054 0.000 2.841 316 T HA 0.450 4.799 4.350 -0.001 0.000 0.283 316 T C -0.828 173.783 174.700 -0.149 0.000 1.000 316 T CA -0.625 61.411 62.100 -0.105 0.000 0.977 316 T CB 1.271 70.077 68.868 -0.103 0.000 0.979 316 T HN 0.527 nan 8.240 nan 0.000 0.446 317 M N 4.157 123.639 119.600 -0.197 0.000 2.181 317 M HA 0.523 5.003 4.480 -0.001 0.000 0.323 317 M C -1.885 174.291 176.300 -0.207 0.000 1.004 317 M CA -0.884 54.308 55.300 -0.181 0.000 0.941 317 M CB 0.440 32.908 32.600 -0.219 0.000 1.579 317 M HN 0.466 nan 8.290 nan 0.000 0.427 318 L N 5.471 126.643 121.223 -0.084 0.000 2.270 318 L HA 0.652 4.991 4.340 -0.001 0.000 0.286 318 L C -0.063 176.871 176.870 0.106 0.000 1.059 318 L CA -0.707 54.120 54.840 -0.021 0.000 0.839 318 L CB 0.723 42.803 42.059 0.036 0.000 1.221 318 L HN 0.920 nan 8.230 nan 0.000 0.431 319 A N 3.425 126.257 122.820 0.020 0.000 2.478 319 A HA 0.730 5.049 4.320 -0.001 0.000 0.327 319 A C 0.304 178.049 177.584 0.267 0.000 1.431 319 A CA -0.303 51.835 52.037 0.169 0.000 1.014 319 A CB 0.326 19.283 19.000 -0.072 0.000 1.143 319 A HN 0.692 nan 8.150 nan 0.000 0.532 320 A N 2.327 125.328 122.820 0.302 0.000 2.312 320 A HA 0.815 5.134 4.320 -0.001 0.000 0.328 320 A C 0.683 178.327 177.584 0.100 0.000 1.158 320 A CA 0.088 52.301 52.037 0.294 0.000 0.821 320 A CB 0.837 20.049 19.000 0.354 0.000 1.170 320 A HN 1.257 nan 8.150 nan 0.000 0.490 321 G N -0.635 108.152 108.800 -0.022 0.000 2.583 321 G HA2 0.468 4.427 3.960 -0.001 0.000 0.280 321 G HA3 0.468 4.427 3.960 -0.001 0.000 0.280 321 G C -0.139 174.803 174.900 0.071 0.000 1.376 321 G CA -0.302 44.453 45.100 -0.576 0.000 1.043 321 G HN 0.733 nan 8.290 nan 0.000 0.538 322 W N -0.280 121.039 121.300 0.031 0.000 2.998 322 W HA 0.168 4.828 4.660 -0.001 0.000 0.336 322 W C 2.337 178.962 176.519 0.178 0.000 1.112 322 W CA 0.143 57.596 57.345 0.181 0.000 1.682 322 W CB -0.940 28.614 29.460 0.157 0.000 1.065 322 W HN 0.603 nan 8.180 nan 0.000 0.570 323 S N 1.274 117.164 115.700 0.316 0.000 2.399 323 S HA -0.260 4.209 4.470 -0.001 0.000 0.231 323 S C 1.768 176.523 174.600 0.258 0.000 1.022 323 S CA 1.619 59.983 58.200 0.273 0.000 0.983 323 S CB -0.860 62.477 63.200 0.228 0.000 0.803 323 S HN 0.378 nan 8.310 nan 0.000 0.480 324 M N 0.699 120.442 119.600 0.238 0.000 2.630 324 M HA 0.104 4.583 4.480 -0.001 0.000 0.254 324 M C 1.464 177.853 176.300 0.147 0.000 1.092 324 M CA 1.240 56.643 55.300 0.171 0.000 1.087 324 M CB -0.590 32.081 32.600 0.117 0.000 1.453 324 M HN 0.420 nan 8.290 nan 0.000 0.509 325 Q N 0.799 120.735 119.800 0.226 0.000 2.247 325 Q HA 0.205 4.544 4.340 -0.001 0.000 0.211 325 Q C 1.010 177.118 176.000 0.180 0.000 0.861 325 Q CA 0.100 56.027 55.803 0.206 0.000 0.949 325 Q CB 0.014 28.936 28.738 0.307 0.000 1.115 325 Q HN 0.588 nan 8.270 nan 0.000 0.507 326 R N 1.015 121.638 120.500 0.205 0.000 4.141 326 R HA 0.469 4.809 4.340 -0.001 0.000 0.281 326 R C -1.062 175.332 176.300 0.156 0.000 1.608 326 R CA 0.079 56.286 56.100 0.179 0.000 1.426 326 R CB -0.054 30.389 30.300 0.239 0.000 1.432 326 R HN 0.255 nan 8.270 nan 0.000 0.708 327 M N -0.686 118.995 119.600 0.135 0.000 2.682 327 M HA 0.163 4.642 4.480 -0.001 0.000 0.272 327 M C -0.838 175.536 176.300 0.123 0.000 1.232 327 M CA -0.906 54.476 55.300 0.136 0.000 0.849 327 M CB 2.216 34.916 32.600 0.168 0.000 1.695 327 M HN 0.202 nan 8.290 nan 0.000 0.481 328 H N 0.704 119.749 119.070 -0.042 0.000 3.094 328 H HA -0.009 4.546 4.556 -0.001 0.000 0.320 328 H C -0.345 174.873 175.328 -0.183 0.000 1.000 328 H CA 1.504 57.425 56.048 -0.211 0.000 1.413 328 H CB 0.245 29.838 29.762 -0.282 0.000 1.405 328 H HN 0.777 nan 8.280 nan 0.000 0.586 329 H N 0.890 119.898 119.070 -0.104 0.000 2.820 329 H HA -0.182 4.373 4.556 -0.001 0.000 0.295 329 H C 1.595 176.913 175.328 -0.017 0.000 1.187 329 H CA 0.216 56.176 56.048 -0.146 0.000 1.144 329 H CB -1.410 28.178 29.762 -0.289 0.000 1.354 329 H HN 0.911 nan 8.280 nan 0.000 0.395 330 G N 0.454 109.316 108.800 0.103 0.000 2.475 330 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.220 330 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.220 330 G C 1.410 176.386 174.900 0.127 0.000 1.125 330 G CA 1.310 46.479 45.100 0.115 0.000 0.755 330 G HN 0.516 nan 8.290 nan 0.000 0.565 331 E N 0.316 120.594 120.200 0.129 0.000 2.160 331 E HA -0.129 4.221 4.350 -0.001 0.000 0.195 331 E C 2.697 179.425 176.600 0.213 0.000 0.991 331 E CA 1.079 57.568 56.400 0.147 0.000 0.810 331 E CB -0.074 29.707 29.700 0.136 0.000 0.742 331 E HN 0.317 nan 8.360 nan 0.000 0.466 332 Q N -0.092 119.823 119.800 0.191 0.000 2.170 332 Q HA -0.068 4.271 4.340 -0.001 0.000 0.203 332 Q C 2.206 178.272 176.000 0.111 0.000 0.976 332 Q CA 1.382 57.292 55.803 0.178 0.000 0.858 332 Q CB -0.489 28.300 28.738 0.085 0.000 0.907 332 Q HN 0.351 nan 8.270 nan 0.000 0.433 333 A N 0.590 123.426 122.820 0.027 0.000 1.865 333 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 333 A C 1.702 179.120 177.584 -0.276 0.000 1.191 333 A CA 1.891 53.832 52.037 -0.160 0.000 0.623 333 A CB -0.866 17.952 19.000 -0.303 0.000 0.826 333 A HN 0.480 nan 8.150 nan 0.000 0.444 334 H N -3.656 115.421 119.070 0.012 0.000 2.512 334 H HA -0.056 4.499 4.556 -0.001 0.000 0.279 334 H C 1.670 176.988 175.328 -0.017 0.000 0.999 334 H CA 0.872 56.892 56.048 -0.046 0.000 1.283 334 H CB -0.023 29.730 29.762 -0.015 0.000 1.421 334 H HN 0.707 nan 8.280 nan 0.000 0.554 335 W N 1.175 122.437 121.300 -0.063 0.000 2.381 335 W HA -0.155 4.504 4.660 -0.002 0.000 0.301 335 W C 2.071 178.493 176.519 -0.162 0.000 1.205 335 W CA 1.152 58.431 57.345 -0.110 0.000 1.285 335 W CB -0.514 28.897 29.460 -0.082 0.000 1.133 335 W HN 0.189 nan 8.180 nan 0.000 0.521 336 M N 0.109 119.729 119.600 0.034 0.000 2.229 336 M HA -0.103 4.376 4.480 -0.001 0.000 0.264 336 M C 2.072 178.281 176.300 -0.151 0.000 1.063 336 M CA 1.448 56.679 55.300 -0.115 0.000 1.114 336 M CB -1.107 31.458 32.600 -0.058 0.000 1.387 336 M HN -0.007 nan 8.290 nan 0.000 0.420 337 L N -0.879 120.218 121.223 -0.211 0.000 2.056 337 L HA -0.109 4.230 4.340 -0.001 0.000 0.207 337 L C 2.055 178.753 176.870 -0.285 0.000 1.078 337 L CA 1.382 56.041 54.840 -0.301 0.000 0.749 337 L CB -0.528 41.327 42.059 -0.340 0.000 0.901 337 L HN 0.147 nan 8.230 nan 0.000 0.433 338 V N -0.888 118.826 119.914 -0.333 0.000 2.515 338 V HA -0.258 3.861 4.120 -0.001 0.000 0.250 338 V C 2.436 178.433 176.094 -0.162 0.000 1.058 338 V CA 2.099 64.143 62.300 -0.428 0.000 1.064 338 V CB -0.740 30.815 31.823 -0.447 0.000 0.675 338 V HN 0.540 nan 8.190 nan 0.000 0.461 339 T N 0.417 114.909 114.554 -0.104 0.000 2.737 339 T HA -0.167 4.183 4.350 -0.001 0.000 0.265 339 T C 1.902 176.578 174.700 -0.040 0.000 1.038 339 T CA 1.766 63.811 62.100 -0.092 0.000 1.144 339 T CB -0.322 68.372 68.868 -0.290 0.000 0.866 339 T HN 0.310 nan 8.240 nan 0.000 0.434 340 L N 1.596 122.792 121.223 -0.045 0.000 2.012 340 L HA -0.000 4.339 4.340 -0.001 0.000 0.210 340 L C 2.573 179.453 176.870 0.017 0.000 1.073 340 L CA 2.044 56.900 54.840 0.026 0.000 0.748 340 L CB -1.049 41.027 42.059 0.029 0.000 0.891 340 L HN 0.228 nan 8.230 nan 0.000 0.431 341 A N -1.628 121.167 122.820 -0.041 0.000 1.933 341 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 341 A C 2.371 179.893 177.584 -0.104 0.000 1.175 341 A CA 1.876 53.884 52.037 -0.048 0.000 0.628 341 A CB -0.877 18.116 19.000 -0.012 0.000 0.814 341 A HN 0.546 nan 8.150 nan 0.000 0.444 342 S N -0.255 115.422 115.700 -0.039 0.000 2.368 342 S HA -0.150 4.319 4.470 -0.001 0.000 0.225 342 S C 1.960 176.581 174.600 0.035 0.000 1.030 342 S CA 1.764 59.993 58.200 0.048 0.000 0.999 342 S CB -0.414 62.947 63.200 0.268 0.000 0.844 342 S HN 0.600 nan 8.310 nan 0.000 0.459 343 M N 0.805 120.432 119.600 0.045 0.000 2.213 343 M HA -0.043 4.437 4.480 -0.001 0.000 0.263 343 M C 1.676 178.026 176.300 0.083 0.000 1.062 343 M CA 1.211 56.562 55.300 0.084 0.000 1.105 343 M CB -0.582 32.058 32.600 0.067 0.000 1.385 343 M HN 0.247 nan 8.290 nan 0.000 0.417 344 L N -0.627 120.594 121.223 -0.003 0.000 2.313 344 L HA 0.076 4.415 4.340 -0.001 0.000 0.214 344 L C 1.514 178.299 176.870 -0.142 0.000 1.119 344 L CA 0.572 55.401 54.840 -0.018 0.000 0.809 344 L CB -0.747 41.314 42.059 0.003 0.000 0.933 344 L HN 0.591 nan 8.230 nan 0.000 0.449 345 G N 0.265 108.837 108.800 -0.380 0.000 2.176 345 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.252 345 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.252 345 G C 0.524 175.036 174.900 -0.645 0.000 1.024 345 G CA 0.414 45.080 45.100 -0.723 0.000 0.755 345 G HN 0.521 nan 8.290 nan 0.000 0.507 346 Q N -0.909 118.594 119.800 -0.495 0.000 2.179 346 Q HA 0.400 4.739 4.340 -0.001 0.000 0.213 346 Q C 1.080 176.916 176.000 -0.273 0.000 0.833 346 Q CA -0.392 55.233 55.803 -0.297 0.000 0.990 346 Q CB 0.947 29.587 28.738 -0.163 0.000 1.132 346 Q HN 0.679 nan 8.270 nan 0.000 0.493 347 I N 1.179 121.514 120.570 -0.392 0.000 2.668 347 I HA -0.056 4.113 4.170 -0.001 0.000 0.285 347 I C 1.184 177.277 176.117 -0.041 0.000 1.168 347 I CA 1.098 62.302 61.300 -0.161 0.000 1.424 347 I CB 0.443 38.388 38.000 -0.091 0.000 1.377 347 I HN 0.505 nan 8.210 nan 0.000 0.560 348 G N 5.205 114.019 108.800 0.024 0.000 2.195 348 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.246 348 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.246 348 G C 0.056 174.936 174.900 -0.032 0.000 0.984 348 G CA -0.520 44.611 45.100 0.051 0.000 0.633 348 G HN 0.451 nan 8.290 nan 0.000 0.525 349 L N 1.473 122.658 121.223 -0.063 0.000 2.357 349 L HA 0.458 4.797 4.340 -0.001 0.000 0.273 349 L C -1.909 174.918 176.870 -0.072 0.000 1.080 349 L CA -2.301 52.500 54.840 -0.064 0.000 0.803 349 L CB 1.227 43.245 42.059 -0.069 0.000 1.174 349 L HN -0.154 nan 8.230 nan 0.000 0.443 350 P HA 0.032 nan 4.420 nan 0.000 0.258 350 P C 0.703 177.970 177.300 -0.055 0.000 1.187 350 P CA 0.717 63.780 63.100 -0.061 0.000 0.767 350 P CB 0.547 32.224 31.700 -0.039 0.000 0.770 351 G N 2.207 110.968 108.800 -0.064 0.000 2.176 351 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.253 351 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.253 351 G C 0.486 175.337 174.900 -0.082 0.000 0.979 351 G CA -0.170 44.890 45.100 -0.066 0.000 0.641 351 G HN 0.897 nan 8.290 nan 0.000 0.530 352 G N -1.897 106.854 108.800 -0.082 0.000 2.644 352 G HA2 0.879 4.838 3.960 -0.001 0.000 0.307 352 G HA3 0.879 4.838 3.960 -0.001 0.000 0.307 352 G C 0.819 175.667 174.900 -0.086 0.000 1.250 352 G CA 0.977 46.024 45.100 -0.088 0.000 0.996 352 G HN 1.865 nan 8.290 nan 0.000 0.489 353 G N -0.827 107.929 108.800 -0.074 0.000 2.709 353 G HA2 0.374 4.334 3.960 -0.001 0.000 0.228 353 G HA3 0.374 4.334 3.960 -0.001 0.000 0.228 353 G C -0.191 174.769 174.900 0.099 0.000 1.215 353 G CA 0.536 45.626 45.100 -0.017 0.000 1.003 353 G HN 2.153 nan 8.290 nan 0.000 0.584 354 F N -0.996 118.946 119.950 -0.014 0.000 2.686 354 F HA 0.826 5.353 4.527 -0.001 0.000 0.311 354 F C -0.028 175.830 175.800 0.096 0.000 1.128 354 F CA -0.436 57.579 58.000 0.025 0.000 0.946 354 F CB 1.520 40.529 39.000 0.014 0.000 1.336 354 F HN 1.581 nan 8.300 nan 0.000 0.457 355 G N 1.265 110.213 108.800 0.247 0.000 2.739 355 G HA2 0.513 4.472 3.960 -0.001 0.000 0.292 355 G HA3 0.513 4.472 3.960 -0.001 0.000 0.292 355 G C -1.244 173.801 174.900 0.240 0.000 1.444 355 G CA -0.839 44.305 45.100 0.074 0.000 1.144 355 G HN 0.862 nan 8.290 nan 0.000 0.550 356 L N 1.319 122.668 121.223 0.211 0.000 2.818 356 L HA 0.326 4.665 4.340 -0.001 0.000 0.243 356 L C 1.431 178.538 176.870 0.396 0.000 1.185 356 L CA 0.105 55.155 54.840 0.349 0.000 0.988 356 L CB 1.082 43.355 42.059 0.357 0.000 1.292 356 L HN 0.530 nan 8.230 nan 0.000 0.519 357 S N -1.630 114.137 115.700 0.113 0.000 3.073 357 S HA 0.193 4.663 4.470 -0.001 0.000 0.252 357 S C 0.759 175.292 174.600 -0.111 0.000 0.953 357 S CA -0.379 57.855 58.200 0.056 0.000 1.105 357 S CB 0.107 63.423 63.200 0.193 0.000 1.070 357 S HN 0.280 nan 8.310 nan 0.000 0.574 358 Y N 1.534 121.910 120.300 0.128 0.000 2.571 358 Y HA 0.066 4.615 4.550 -0.001 0.000 0.294 358 Y C 2.240 178.301 175.900 0.269 0.000 1.141 358 Y CA 1.273 59.445 58.100 0.120 0.000 1.308 358 Y CB -0.074 38.439 38.460 0.087 0.000 1.002 358 Y HN 0.643 nan 8.280 nan 0.000 0.551 359 H N -3.208 115.976 119.070 0.189 0.000 2.542 359 H HA 0.163 4.718 4.556 -0.001 0.000 0.283 359 H C -0.966 174.413 175.328 0.085 0.000 1.059 359 H CA -0.197 55.899 56.048 0.080 0.000 1.162 359 H CB -0.495 29.246 29.762 -0.036 0.000 1.539 359 H HN 0.291 nan 8.280 nan 0.000 0.543 360 Y N 1.120 121.101 120.300 -0.531 0.000 2.386 360 Y HA 0.377 4.927 4.550 -0.001 0.000 0.334 360 Y C 0.081 176.069 175.900 0.146 0.000 1.002 360 Y CA -0.715 57.212 58.100 -0.288 0.000 1.068 360 Y CB 1.503 39.658 38.460 -0.509 0.000 1.203 360 Y HN 0.187 nan 8.280 nan 0.000 0.443 361 S N 3.942 119.437 115.700 -0.341 0.000 3.521 361 S HA -0.205 4.264 4.470 -0.001 0.000 0.362 361 S C 1.056 175.756 174.600 0.166 0.000 1.044 361 S CA 1.594 59.675 58.200 -0.199 0.000 1.091 361 S CB -1.791 61.098 63.200 -0.519 0.000 0.908 361 S HN 2.176 nan 8.310 nan 0.000 0.473 362 G N -0.368 108.559 108.800 0.212 0.000 2.143 362 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.248 362 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.248 362 G C 0.405 175.490 174.900 0.309 0.000 0.991 362 G CA 0.163 45.447 45.100 0.306 0.000 0.689 362 G HN 1.685 nan 8.290 nan 0.000 0.522 363 G N -1.027 107.833 108.800 0.100 0.000 2.225 363 G HA2 0.482 4.441 3.960 -0.001 0.000 0.245 363 G HA3 0.482 4.441 3.960 -0.001 0.000 0.245 363 G C 1.478 176.197 174.900 -0.301 0.000 1.249 363 G CA 1.642 46.409 45.100 -0.555 0.000 0.919 363 G HN 1.935 nan 8.290 nan 0.000 0.486 364 G N 1.676 110.282 108.800 -0.323 0.000 2.232 364 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.226 364 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.226 364 G C 0.632 175.648 174.900 0.193 0.000 0.996 364 G CA 0.319 45.292 45.100 -0.212 0.000 0.626 364 G HN 1.127 nan 8.290 nan 0.000 0.509 365 T N 4.093 118.857 114.554 0.351 0.000 2.853 365 T HA 0.456 4.805 4.350 -0.001 0.000 0.298 365 T C -2.148 172.702 174.700 0.251 0.000 0.978 365 T CA -0.261 62.071 62.100 0.386 0.000 1.152 365 T CB 1.360 70.423 68.868 0.325 0.000 0.914 365 T HN 0.126 nan 8.240 nan 0.000 0.539 366 P HA 0.072 nan 4.420 nan 0.000 0.262 366 P C -0.440 176.950 177.300 0.150 0.000 1.182 366 P CA 0.047 63.254 63.100 0.178 0.000 0.761 366 P CB 0.288 32.091 31.700 0.172 0.000 0.795 367 S N 1.553 117.317 115.700 0.107 0.000 2.565 367 S HA 0.346 4.816 4.470 -0.001 0.000 0.274 367 S C 0.780 175.435 174.600 0.093 0.000 1.309 367 S CA -0.506 57.749 58.200 0.092 0.000 1.043 367 S CB 0.163 63.379 63.200 0.027 0.000 0.939 367 S HN 0.586 nan 8.310 nan 0.000 0.504 368 T N -0.898 113.727 114.554 0.118 0.000 2.810 368 T HA 0.291 4.640 4.350 -0.001 0.000 0.277 368 T C 1.110 175.843 174.700 0.055 0.000 0.973 368 T CA -0.328 61.848 62.100 0.127 0.000 0.949 368 T CB 0.591 69.600 68.868 0.236 0.000 1.075 368 T HN 0.522 nan 8.240 nan 0.000 0.537 369 S N -1.159 114.560 115.700 0.032 0.000 2.634 369 S HA 0.337 4.806 4.470 -0.001 0.000 0.221 369 S C 1.122 175.609 174.600 -0.189 0.000 0.952 369 S CA -0.490 57.681 58.200 -0.049 0.000 0.930 369 S CB -0.804 62.383 63.200 -0.021 0.000 0.780 369 S HN 1.098 nan 8.310 nan 0.000 0.498 370 G N 2.790 111.401 108.800 -0.315 0.000 2.667 370 G HA2 0.473 4.433 3.960 -0.001 0.000 0.250 370 G HA3 0.473 4.433 3.960 -0.001 0.000 0.250 370 G C -2.547 171.954 174.900 -0.665 0.000 1.212 370 G CA -1.244 43.247 45.100 -1.016 0.000 0.874 370 G HN 0.309 nan 8.290 nan 0.000 0.561 371 P HA 0.425 nan 4.420 nan 0.000 0.278 371 P C -0.185 176.981 177.300 -0.223 0.000 1.258 371 P CA -0.325 62.556 63.100 -0.364 0.000 0.811 371 P CB 1.164 32.676 31.700 -0.314 0.000 1.063 372 A N 1.256 123.995 122.820 -0.135 0.000 2.366 372 A HA 0.460 4.779 4.320 -0.001 0.000 0.249 372 A C -0.485 177.066 177.584 -0.055 0.000 1.084 372 A CA -0.142 51.850 52.037 -0.075 0.000 0.794 372 A CB -0.350 18.607 19.000 -0.072 0.000 1.034 372 A HN 0.574 nan 8.150 nan 0.000 0.491 373 L N 0.669 121.874 121.223 -0.030 0.000 2.385 373 L HA 0.781 5.120 4.340 -0.001 0.000 0.273 373 L C -0.072 176.758 176.870 -0.067 0.000 0.990 373 L CA 0.043 54.870 54.840 -0.020 0.000 0.821 373 L CB 1.507 43.581 42.059 0.025 0.000 1.279 373 L HN 0.989 nan 8.230 nan 0.000 0.412 374 A N 2.808 125.566 122.820 -0.102 0.000 2.384 374 A HA 0.984 5.303 4.320 -0.001 0.000 0.312 374 A C -0.286 177.013 177.584 -0.474 0.000 1.113 374 A CA 0.047 51.967 52.037 -0.194 0.000 0.779 374 A CB 1.476 20.403 19.000 -0.122 0.000 1.307 374 A HN 0.965 nan 8.150 nan 0.000 0.436 375 G N -0.642 107.765 108.800 -0.655 0.000 3.262 375 G HA2 0.536 4.495 3.960 -0.001 0.000 0.229 375 G HA3 0.536 4.495 3.960 -0.001 0.000 0.229 375 G C -0.335 174.014 174.900 -0.918 0.000 1.280 375 G CA -0.678 43.566 45.100 -1.428 0.000 0.951 375 G HN 0.948 nan 8.290 nan 0.000 0.589 376 I N 0.817 120.971 120.570 -0.692 0.000 2.836 376 I HA 0.373 4.542 4.170 -0.001 0.000 0.285 376 I C 1.011 176.961 176.117 -0.279 0.000 1.174 376 I CA 0.016 61.104 61.300 -0.354 0.000 1.405 376 I CB 1.217 38.870 38.000 -0.577 0.000 1.385 376 I HN 0.685 nan 8.210 nan 0.000 0.594 377 T N 1.192 115.630 114.554 -0.192 0.000 2.927 377 T HA 0.332 4.681 4.350 -0.001 0.000 0.286 377 T C 0.257 174.862 174.700 -0.159 0.000 1.040 377 T CA -0.261 61.753 62.100 -0.142 0.000 1.010 377 T CB 1.468 70.295 68.868 -0.069 0.000 1.177 377 T HN 0.657 nan 8.240 nan 0.000 0.546 378 D N -1.335 118.994 120.400 -0.118 0.000 2.349 378 D HA 0.252 4.891 4.640 -0.001 0.000 0.224 378 D C 1.670 177.930 176.300 -0.067 0.000 1.029 378 D CA 0.563 54.495 54.000 -0.114 0.000 0.879 378 D CB -0.629 40.124 40.800 -0.078 0.000 0.906 378 D HN 1.186 nan 8.370 nan 0.000 0.528 379 G N -0.397 108.374 108.800 -0.048 0.000 2.234 379 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.260 379 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.260 379 G C 1.363 176.266 174.900 0.005 0.000 0.987 379 G CA 0.446 45.538 45.100 -0.014 0.000 0.625 379 G HN 0.672 nan 8.290 nan 0.000 0.532 380 G N 1.051 109.855 108.800 0.008 0.000 2.556 380 G HA2 0.123 4.082 3.960 -0.001 0.000 0.220 380 G HA3 0.123 4.082 3.960 -0.001 0.000 0.220 380 G C 1.542 176.440 174.900 -0.003 0.000 1.156 380 G CA 2.155 47.260 45.100 0.008 0.000 0.766 380 G HN 1.836 nan 8.290 nan 0.000 0.583 381 A N -0.122 122.693 122.820 -0.007 0.000 2.840 381 A HA 0.736 5.055 4.320 -0.001 0.000 0.269 381 A C 1.531 179.115 177.584 0.000 0.000 1.439 381 A CA 1.056 53.089 52.037 -0.007 0.000 1.083 381 A CB -0.373 18.619 19.000 -0.012 0.000 1.019 381 A HN 0.860 nan 8.150 nan 0.000 0.607 382 A N -0.950 121.874 122.820 0.007 0.000 2.027 382 A HA 0.469 4.789 4.320 -0.001 0.000 0.196 382 A C 0.909 178.502 177.584 0.015 0.000 1.573 382 A CA 1.091 53.136 52.037 0.012 0.000 1.097 382 A CB 0.288 19.299 19.000 0.018 0.000 1.196 382 A HN 0.876 nan 8.150 nan 0.000 0.462 383 T N -0.209 114.356 114.554 0.018 0.000 2.933 383 T HA 0.452 4.801 4.350 -0.001 0.000 0.305 383 T C -1.269 173.443 174.700 0.021 0.000 1.092 383 T CA -0.569 61.543 62.100 0.020 0.000 1.008 383 T CB 1.042 69.925 68.868 0.025 0.000 1.102 383 T HN 0.204 nan 8.240 nan 0.000 0.469 384 K N 2.662 123.073 120.400 0.019 0.000 2.430 384 K HA 0.327 4.646 4.320 -0.001 0.000 0.280 384 K C 1.015 177.632 176.600 0.030 0.000 1.063 384 K CA 0.135 56.434 56.287 0.020 0.000 1.071 384 K CB 0.082 32.593 32.500 0.018 0.000 0.899 384 K HN 0.740 nan 8.250 nan 0.000 0.473 385 G N 4.667 113.486 108.800 0.031 0.000 2.491 385 G HA2 0.172 4.131 3.960 -0.001 0.000 0.242 385 G HA3 0.172 4.131 3.960 -0.001 0.000 0.242 385 G C -1.844 173.094 174.900 0.063 0.000 1.266 385 G CA -1.040 44.091 45.100 0.052 0.000 0.844 385 G HN 0.389 nan 8.290 nan 0.000 0.571 386 P HA 0.081 nan 4.420 nan 0.000 0.286 386 P C -0.001 177.355 177.300 0.094 0.000 1.278 386 P CA -0.366 62.773 63.100 0.064 0.000 0.785 386 P CB 0.545 32.271 31.700 0.043 0.000 1.269 387 E N -0.331 119.916 120.200 0.079 0.000 2.167 387 E HA 0.104 4.454 4.350 -0.001 0.000 0.284 387 E C -1.166 175.528 176.600 0.157 0.000 1.016 387 E CA -0.389 56.075 56.400 0.107 0.000 0.817 387 E CB 0.455 30.194 29.700 0.066 0.000 1.080 387 E HN 0.338 nan 8.360 nan 0.000 0.397 388 W N 6.579 127.875 121.300 -0.008 0.000 2.376 388 W HA 0.285 4.944 4.660 -0.001 0.000 0.312 388 W C -1.373 175.147 176.519 0.002 0.000 1.060 388 W CA -0.705 56.639 57.345 -0.001 0.000 1.221 388 W CB 0.840 30.294 29.460 -0.010 0.000 1.281 388 W HN 0.404 nan 8.180 nan 0.000 0.456 389 L N 4.831 126.195 121.223 0.236 0.000 2.344 389 L HA 0.455 4.794 4.340 -0.001 0.000 0.272 389 L C 1.463 178.450 176.870 0.194 0.000 1.035 389 L CA 0.225 55.163 54.840 0.164 0.000 0.807 389 L CB 1.663 43.772 42.059 0.084 0.000 1.237 389 L HN 0.618 nan 8.230 nan 0.000 0.442 390 A N 3.334 126.231 122.820 0.128 0.000 1.986 390 A HA -0.193 4.126 4.320 -0.001 0.000 0.220 390 A C 2.036 179.681 177.584 0.101 0.000 1.171 390 A CA 2.018 54.117 52.037 0.104 0.000 0.640 390 A CB -1.055 17.970 19.000 0.043 0.000 0.811 390 A HN 0.984 nan 8.150 nan 0.000 0.451 391 A N -0.787 122.083 122.820 0.082 0.000 2.070 391 A HA 0.013 4.332 4.320 -0.001 0.000 0.220 391 A C 2.144 179.776 177.584 0.081 0.000 1.159 391 A CA 1.724 53.801 52.037 0.067 0.000 0.656 391 A CB -0.497 18.530 19.000 0.045 0.000 0.800 391 A HN 0.458 nan 8.150 nan 0.000 0.453 392 S N -0.969 114.792 115.700 0.102 0.000 2.593 392 S HA 0.435 4.905 4.470 -0.001 0.000 0.217 392 S C 0.920 175.644 174.600 0.206 0.000 0.966 392 S CA 0.551 58.798 58.200 0.077 0.000 0.914 392 S CB -0.353 62.808 63.200 -0.065 0.000 0.776 392 S HN 1.626 nan 8.310 nan 0.000 0.523 393 G N 1.253 110.204 108.800 0.252 0.000 2.707 393 G HA2 0.182 4.141 3.960 -0.001 0.000 0.686 393 G HA3 0.182 4.141 3.960 -0.001 0.000 0.686 393 G C -0.234 174.894 174.900 0.380 0.000 1.315 393 G CA -0.846 44.431 45.100 0.294 0.000 0.832 393 G HN 0.697 nan 8.290 nan 0.000 0.573 394 A N -0.086 122.895 122.820 0.268 0.000 2.466 394 A HA 0.656 4.976 4.320 -0.001 0.000 0.238 394 A C 1.745 179.357 177.584 0.047 0.000 1.074 394 A CA 1.237 53.355 52.037 0.135 0.000 0.774 394 A CB 0.297 19.428 19.000 0.219 0.000 1.015 394 A HN 2.395 nan 8.150 nan 0.000 0.498 395 S N -0.235 115.200 115.700 -0.443 0.000 2.548 395 S HA 0.326 4.795 4.470 -0.001 0.000 0.215 395 S C 0.177 174.558 174.600 -0.365 0.000 0.976 395 S CA 0.370 58.009 58.200 -0.935 0.000 0.908 395 S CB -0.313 61.813 63.200 -1.790 0.000 0.781 395 S HN 0.643 nan 8.310 nan 0.000 0.519 396 V N 2.213 122.062 119.914 -0.108 0.000 2.888 396 V HA 0.623 4.742 4.120 -0.001 0.000 0.309 396 V C -0.701 175.467 176.094 0.123 0.000 1.114 396 V CA -1.098 61.209 62.300 0.012 0.000 0.940 396 V CB 1.885 33.701 31.823 -0.012 0.000 1.021 396 V HN 0.510 nan 8.190 nan 0.000 0.426 397 I N 1.364 121.994 120.570 0.100 0.000 2.828 397 I HA 0.748 4.917 4.170 -0.001 0.000 0.302 397 I C -2.899 173.129 176.117 -0.149 0.000 1.101 397 I CA -2.884 58.396 61.300 -0.033 0.000 1.031 397 I CB 2.249 40.199 38.000 -0.083 0.000 1.231 397 I HN 0.339 nan 8.210 nan 0.000 0.427 398 P HA -0.038 nan 4.420 nan 0.000 0.264 398 P C 1.233 178.385 177.300 -0.246 0.000 1.183 398 P CA -0.238 62.576 63.100 -0.477 0.000 0.763 398 P CB 0.659 31.936 31.700 -0.706 0.000 0.807 399 V N 2.105 121.916 119.914 -0.172 0.000 2.380 399 V HA -0.281 3.838 4.120 -0.001 0.000 0.251 399 V C 1.813 177.834 176.094 -0.121 0.000 1.063 399 V CA 2.139 64.404 62.300 -0.058 0.000 1.055 399 V CB -2.095 29.703 31.823 -0.041 0.000 0.657 399 V HN 0.528 nan 8.190 nan 0.000 0.455 400 A N -0.237 122.382 122.820 -0.335 0.000 2.235 400 A HA 0.121 4.441 4.320 -0.001 0.000 0.208 400 A C 2.009 179.568 177.584 -0.041 0.000 1.172 400 A CA 0.357 52.280 52.037 -0.190 0.000 0.786 400 A CB -0.433 18.332 19.000 -0.390 0.000 0.804 400 A HN 0.504 nan 8.150 nan 0.000 0.479 401 R N -0.656 119.750 120.500 -0.157 0.000 2.334 401 R HA 0.068 4.407 4.340 -0.001 0.000 0.220 401 R C 1.600 177.704 176.300 -0.328 0.000 0.917 401 R CA 0.558 56.540 56.100 -0.197 0.000 1.073 401 R CB -0.796 29.381 30.300 -0.206 0.000 1.056 401 R HN 0.403 nan 8.270 nan 0.000 0.506 402 V N 0.580 120.302 119.914 -0.319 0.000 2.324 402 V HA -0.248 3.871 4.120 -0.001 0.000 0.250 402 V C 1.989 177.809 176.094 -0.457 0.000 1.060 402 V CA 1.885 63.908 62.300 -0.462 0.000 1.042 402 V CB -0.050 31.569 31.823 -0.340 0.000 0.650 402 V HN 0.079 nan 8.190 nan 0.000 0.450 403 V N 0.214 119.925 119.914 -0.338 0.000 2.453 403 V HA -0.141 3.979 4.120 -0.001 0.000 0.247 403 V C 2.319 178.226 176.094 -0.311 0.000 1.048 403 V CA 2.108 64.265 62.300 -0.238 0.000 1.049 403 V CB -0.713 31.078 31.823 -0.053 0.000 0.672 403 V HN 0.592 nan 8.190 nan 0.000 0.457 404 D N -0.328 119.863 120.400 -0.348 0.000 2.123 404 D HA -0.231 4.409 4.640 -0.001 0.000 0.196 404 D C 2.031 177.791 176.300 -0.899 0.000 0.992 404 D CA 1.637 55.367 54.000 -0.449 0.000 0.833 404 D CB -0.257 40.352 40.800 -0.319 0.000 0.954 404 D HN 0.397 nan 8.370 nan 0.000 0.455 405 M N 0.247 119.097 119.600 -1.250 0.000 2.065 405 M HA -0.177 4.303 4.480 -0.001 0.000 0.259 405 M C 2.059 177.949 176.300 -0.684 0.000 1.069 405 M CA 1.385 55.828 55.300 -1.429 0.000 1.110 405 M CB -0.107 31.941 32.600 -0.919 0.000 1.328 405 M HN -0.030 nan 8.290 nan 0.000 0.405 406 L N -0.102 120.804 121.223 -0.529 0.000 2.079 406 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 406 L C 2.201 178.904 176.870 -0.278 0.000 1.081 406 L CA 1.596 56.208 54.840 -0.379 0.000 0.752 406 L CB -0.794 41.026 42.059 -0.399 0.000 0.896 406 L HN 0.423 nan 8.230 nan 0.000 0.433 407 E N -0.230 119.809 120.200 -0.267 0.000 2.285 407 E HA -0.037 4.312 4.350 -0.001 0.000 0.194 407 E C 0.287 176.811 176.600 -0.126 0.000 0.997 407 E CA 0.433 56.733 56.400 -0.167 0.000 0.845 407 E CB 0.197 29.816 29.700 -0.136 0.000 0.782 407 E HN 0.476 nan 8.360 nan 0.000 0.491 408 N N 1.545 120.148 118.700 -0.160 0.000 2.757 408 N HA 0.158 4.897 4.740 -0.001 0.000 0.296 408 N C -2.750 172.805 175.510 0.075 0.000 1.874 408 N CA -1.001 52.038 53.050 -0.018 0.000 0.885 408 N CB 1.203 39.731 38.487 0.069 0.000 1.242 408 N HN 0.043 nan 8.380 nan 0.000 0.488 409 P HA -0.004 nan 4.420 nan 0.000 0.264 409 P C 1.083 178.469 177.300 0.143 0.000 1.183 409 P CA 1.055 64.207 63.100 0.086 0.000 0.763 409 P CB 0.678 32.386 31.700 0.014 0.000 0.807 410 G N 1.663 110.579 108.800 0.193 0.000 2.212 410 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.266 410 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.266 410 G C 0.454 175.448 174.900 0.157 0.000 0.978 410 G CA 0.266 45.459 45.100 0.155 0.000 0.632 410 G HN 0.914 nan 8.290 nan 0.000 0.537 411 A N 0.018 122.980 122.820 0.236 0.000 2.351 411 A HA 0.619 4.938 4.320 -0.001 0.000 0.257 411 A C 0.438 178.091 177.584 0.116 0.000 1.087 411 A CA 0.103 52.263 52.037 0.204 0.000 0.798 411 A CB 0.359 19.525 19.000 0.276 0.000 1.033 411 A HN 0.489 nan 8.150 nan 0.000 0.488 412 E N -0.148 120.074 120.200 0.038 0.000 2.331 412 E HA 0.484 4.833 4.350 -0.001 0.000 0.272 412 E C -1.095 175.463 176.600 -0.072 0.000 1.036 412 E CA 0.129 56.480 56.400 -0.081 0.000 0.864 412 E CB 0.901 30.560 29.700 -0.070 0.000 1.035 412 E HN 0.521 nan 8.360 nan 0.000 0.408 413 F N -0.708 119.043 119.950 -0.332 0.000 2.601 413 F HA 0.473 4.999 4.527 -0.001 0.000 0.309 413 F C -0.829 174.884 175.800 -0.144 0.000 1.089 413 F CA -1.342 56.486 58.000 -0.288 0.000 0.940 413 F CB 1.188 39.877 39.000 -0.518 0.000 1.273 413 F HN 0.089 nan 8.300 nan 0.000 0.450 414 D N 2.223 122.626 120.400 0.006 0.000 2.177 414 D HA 0.400 5.040 4.640 -0.001 0.000 0.247 414 D C -1.600 174.812 176.300 0.187 0.000 1.063 414 D CA 0.213 54.211 54.000 -0.004 0.000 0.867 414 D CB 2.212 42.966 40.800 -0.077 0.000 1.168 414 D HN 0.555 nan 8.370 nan 0.000 0.445 415 F N 2.880 122.834 119.950 0.006 0.000 2.787 415 F HA 0.186 4.713 4.527 -0.001 0.000 0.340 415 F C 0.037 175.903 175.800 0.110 0.000 1.232 415 F CA -1.045 57.001 58.000 0.076 0.000 1.051 415 F CB 0.438 39.537 39.000 0.164 0.000 1.330 415 F HN 0.219 nan 8.300 nan 0.000 0.522 416 N N 4.140 122.750 118.700 -0.150 0.000 2.727 416 N HA -0.166 4.573 4.740 -0.001 0.000 0.249 416 N C 0.913 176.367 175.510 -0.092 0.000 1.048 416 N CA 2.081 54.997 53.050 -0.224 0.000 0.714 416 N CB -0.990 37.065 38.487 -0.720 0.000 0.959 416 N HN 1.720 nan 8.380 nan 0.000 0.544 417 G N -2.539 106.311 108.800 0.083 0.000 2.194 417 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.236 417 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.236 417 G C 0.137 175.019 174.900 -0.031 0.000 0.987 417 G CA 1.000 46.067 45.100 -0.056 0.000 0.635 417 G HN 1.419 nan 8.290 nan 0.000 0.520 418 T N -0.471 114.073 114.554 -0.016 0.000 2.863 418 T HA 0.714 5.063 4.350 -0.001 0.000 0.285 418 T C -0.145 174.502 174.700 -0.089 0.000 1.009 418 T CA -0.588 61.478 62.100 -0.057 0.000 0.989 418 T CB 1.501 70.320 68.868 -0.082 0.000 1.004 418 T HN 0.429 nan 8.240 nan 0.000 0.455 419 R N 2.763 123.179 120.500 -0.140 0.000 2.460 419 R HA 0.762 5.101 4.340 -0.001 0.000 0.303 419 R C -0.567 175.520 176.300 -0.355 0.000 0.968 419 R CA -0.818 55.129 56.100 -0.255 0.000 0.889 419 R CB 1.962 32.158 30.300 -0.174 0.000 1.123 419 R HN 0.769 nan 8.270 nan 0.000 0.455 420 S N 1.306 116.614 115.700 -0.653 0.000 2.720 420 S HA 0.465 4.934 4.470 -0.001 0.000 0.287 420 S C -1.024 173.237 174.600 -0.566 0.000 1.168 420 S CA -1.096 56.780 58.200 -0.540 0.000 0.832 420 S CB 2.090 64.982 63.200 -0.513 0.000 1.166 420 S HN 0.379 nan 8.310 nan 0.000 0.493 421 K N 0.222 120.494 120.400 -0.213 0.000 2.156 421 K HA 0.548 4.868 4.320 -0.001 0.000 0.254 421 K C -1.326 175.390 176.600 0.193 0.000 0.950 421 K CA -0.504 55.766 56.287 -0.028 0.000 0.849 421 K CB 0.791 33.317 32.500 0.044 0.000 1.100 421 K HN 0.350 nan 8.250 nan 0.000 0.434 422 F N 3.630 123.784 119.950 0.339 0.000 2.484 422 F HA 0.131 4.658 4.527 -0.001 0.000 0.360 422 F C -1.536 174.361 175.800 0.163 0.000 1.101 422 F CA -1.837 56.302 58.000 0.232 0.000 1.251 422 F CB 0.019 39.057 39.000 0.064 0.000 1.132 422 F HN 0.339 nan 8.300 nan 0.000 0.570 423 P HA -0.001 nan 4.420 nan 0.000 0.274 423 P C -0.760 176.639 177.300 0.165 0.000 1.237 423 P CA -0.295 62.976 63.100 0.285 0.000 0.793 423 P CB 0.847 32.769 31.700 0.369 0.000 0.977 424 D N 1.383 121.838 120.400 0.093 0.000 2.485 424 D HA 0.199 4.838 4.640 -0.001 0.000 0.221 424 D C -0.598 175.663 176.300 -0.066 0.000 1.112 424 D CA -0.432 53.566 54.000 -0.003 0.000 0.911 424 D CB -0.219 40.575 40.800 -0.010 0.000 1.019 424 D HN -0.100 nan 8.370 nan 0.000 0.516 425 V N 4.949 124.816 119.914 -0.079 0.000 2.583 425 V HA 0.191 4.310 4.120 -0.001 0.000 0.287 425 V C 1.321 177.306 176.094 -0.182 0.000 1.051 425 V CA -0.111 62.139 62.300 -0.083 0.000 1.010 425 V CB 1.632 33.414 31.823 -0.067 0.000 0.988 425 V HN 0.417 nan 8.190 nan 0.000 0.478 426 K N 3.202 123.492 120.400 -0.183 0.000 2.474 426 K HA 0.367 4.687 4.320 -0.001 0.000 0.204 426 K C -0.006 176.562 176.600 -0.052 0.000 1.220 426 K CA 0.279 56.435 56.287 -0.218 0.000 0.966 426 K CB 0.917 33.147 32.500 -0.450 0.000 1.049 426 K HN 0.628 nan 8.250 nan 0.000 0.554 427 M N 0.640 120.261 119.600 0.034 0.000 2.393 427 M HA 0.530 5.009 4.480 -0.001 0.000 0.299 427 M C -1.909 174.510 176.300 0.198 0.000 1.103 427 M CA -0.626 54.752 55.300 0.131 0.000 0.910 427 M CB 2.364 35.080 32.600 0.192 0.000 1.659 427 M HN -0.006 nan 8.290 nan 0.000 0.445 428 A N 3.357 126.349 122.820 0.288 0.000 2.356 428 A HA 0.693 5.012 4.320 -0.001 0.000 0.310 428 A C -2.310 175.645 177.584 0.619 0.000 1.075 428 A CA -0.388 51.940 52.037 0.485 0.000 0.746 428 A CB 1.087 20.403 19.000 0.526 0.000 1.221 428 A HN 0.787 nan 8.150 nan 0.000 0.443 429 Y N 2.383 122.891 120.300 0.347 0.000 2.326 429 Y HA 0.526 5.075 4.550 -0.001 0.000 0.331 429 Y C -1.207 174.810 175.900 0.195 0.000 0.962 429 Y CA -1.412 56.822 58.100 0.223 0.000 1.167 429 Y CB 0.980 39.493 38.460 0.088 0.000 1.148 429 Y HN 0.697 nan 8.280 nan 0.000 0.463 430 W N 7.855 129.393 121.300 0.396 0.000 2.656 430 W HA 0.649 5.308 4.660 -0.001 0.000 0.327 430 W C -1.405 175.206 176.519 0.154 0.000 1.041 430 W CA -0.817 56.709 57.345 0.302 0.000 1.229 430 W CB 1.816 31.521 29.460 0.409 0.000 1.397 430 W HN 0.413 nan 8.180 nan 0.000 0.479 431 V N 1.221 121.320 119.914 0.308 0.000 2.876 431 V HA 0.867 4.986 4.120 -0.001 0.000 0.312 431 V C 0.490 176.743 176.094 0.265 0.000 1.085 431 V CA -0.365 62.058 62.300 0.206 0.000 0.945 431 V CB 1.179 33.044 31.823 0.070 0.000 1.017 431 V HN 1.024 nan 8.190 nan 0.000 0.428 432 G N 1.164 110.102 108.800 0.231 0.000 2.283 432 G HA2 0.208 4.167 3.960 -0.001 0.000 0.280 432 G HA3 0.208 4.167 3.960 -0.001 0.000 0.280 432 G C 0.571 175.658 174.900 0.313 0.000 1.029 432 G CA 0.714 45.950 45.100 0.226 0.000 0.840 432 G HN 2.268 nan 8.290 nan 0.000 0.505 433 G N -1.265 107.786 108.800 0.417 0.000 2.692 433 G HA2 0.572 4.532 3.960 -0.001 0.000 0.291 433 G HA3 0.572 4.532 3.960 -0.001 0.000 0.291 433 G C -1.096 173.950 174.900 0.243 0.000 1.423 433 G CA -0.159 45.246 45.100 0.510 0.000 0.843 433 G HN 0.699 nan 8.290 nan 0.000 0.486 434 N N 0.716 119.520 118.700 0.174 0.000 2.726 434 N HA 0.344 5.084 4.740 -0.001 0.000 0.253 434 N C -1.648 173.566 175.510 -0.494 0.000 1.530 434 N CA -1.827 51.151 53.050 -0.121 0.000 0.772 434 N CB 2.208 40.694 38.487 -0.002 0.000 1.220 434 N HN 0.139 nan 8.380 nan 0.000 0.508 435 P HA -0.071 nan 4.420 nan 0.000 0.220 435 P C 0.841 177.501 177.300 -1.067 0.000 1.148 435 P CA 0.812 62.984 63.100 -1.547 0.000 0.803 435 P CB -0.006 30.697 31.700 -1.661 0.000 0.782 436 F N -0.746 118.743 119.950 -0.767 0.000 2.795 436 F HA -0.004 4.522 4.527 -0.001 0.000 0.303 436 F C 1.895 177.463 175.800 -0.387 0.000 1.186 436 F CA 0.542 58.171 58.000 -0.619 0.000 1.415 436 F CB -0.106 38.539 39.000 -0.592 0.000 1.106 436 F HN -0.226 nan 8.300 nan 0.000 0.558 437 V N -2.006 117.772 119.914 -0.225 0.000 3.193 437 V HA -0.097 4.022 4.120 -0.001 0.000 0.237 437 V C 1.979 178.023 176.094 -0.084 0.000 1.447 437 V CA 0.632 62.891 62.300 -0.069 0.000 1.227 437 V CB -0.178 31.695 31.823 0.082 0.000 1.040 437 V HN 0.408 nan 8.190 nan 0.000 0.458 438 H N -0.566 118.407 119.070 -0.163 0.000 2.525 438 H HA 0.082 4.637 4.556 -0.001 0.000 0.275 438 H C 0.996 176.163 175.328 -0.268 0.000 0.984 438 H CA 0.361 56.272 56.048 -0.229 0.000 1.264 438 H CB 0.254 29.825 29.762 -0.319 0.000 1.432 438 H HN 0.515 nan 8.280 nan 0.000 0.549 439 H N 1.497 120.421 119.070 -0.243 0.000 2.511 439 H HA 0.206 4.761 4.556 -0.001 0.000 0.346 439 H C -0.383 174.878 175.328 -0.112 0.000 1.128 439 H CA -0.495 55.506 56.048 -0.078 0.000 1.342 439 H CB 1.167 30.806 29.762 -0.206 0.000 1.470 439 H HN 0.171 nan 8.280 nan 0.000 0.546 440 Q N 1.624 120.958 119.800 -0.777 0.000 2.354 440 Q HA 0.180 4.520 4.340 -0.001 0.000 0.244 440 Q C -0.476 175.280 176.000 -0.406 0.000 0.969 440 Q CA 0.141 55.657 55.803 -0.479 0.000 0.885 440 Q CB 0.397 28.908 28.738 -0.378 0.000 1.241 440 Q HN 0.769 nan 8.270 nan 0.000 0.461 441 D N 0.331 120.580 120.400 -0.252 0.000 3.133 441 D HA -0.177 4.463 4.640 -0.001 0.000 0.239 441 D C 0.454 176.629 176.300 -0.209 0.000 1.136 441 D CA 0.266 54.152 54.000 -0.189 0.000 0.898 441 D CB -0.189 40.523 40.800 -0.147 0.000 0.959 441 D HN 0.631 nan 8.370 nan 0.000 0.415 442 R N 1.864 122.205 120.500 -0.266 0.000 2.091 442 R HA -0.066 4.273 4.340 -0.001 0.000 0.238 442 R C 1.888 178.030 176.300 -0.263 0.000 1.136 442 R CA 2.190 58.060 56.100 -0.382 0.000 0.959 442 R CB -0.181 29.746 30.300 -0.621 0.000 0.856 442 R HN 0.407 nan 8.270 nan 0.000 0.437 443 N N 0.257 118.867 118.700 -0.149 0.000 2.166 443 N HA -0.190 4.549 4.740 -0.001 0.000 0.186 443 N C 1.728 177.211 175.510 -0.046 0.000 1.019 443 N CA 1.393 54.409 53.050 -0.057 0.000 0.856 443 N CB -0.332 38.149 38.487 -0.010 0.000 0.993 443 N HN 0.323 nan 8.380 nan 0.000 0.426 444 R N 0.972 121.435 120.500 -0.063 0.000 2.075 444 R HA 0.008 4.347 4.340 -0.001 0.000 0.232 444 R C 2.303 178.581 176.300 -0.036 0.000 1.126 444 R CA 0.962 57.038 56.100 -0.040 0.000 0.963 444 R CB -0.209 30.064 30.300 -0.046 0.000 0.858 444 R HN 0.152 nan 8.270 nan 0.000 0.435 445 M N 0.341 119.891 119.600 -0.083 0.000 2.117 445 M HA -0.145 4.334 4.480 -0.001 0.000 0.262 445 M C 1.836 178.084 176.300 -0.086 0.000 1.065 445 M CA 1.620 56.852 55.300 -0.112 0.000 1.114 445 M CB 0.036 32.468 32.600 -0.280 0.000 1.361 445 M HN 0.135 nan 8.290 nan 0.000 0.408 446 V N 1.116 120.977 119.914 -0.089 0.000 2.332 446 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 446 V C 2.412 178.596 176.094 0.150 0.000 1.055 446 V CA 2.209 64.554 62.300 0.076 0.000 1.038 446 V CB -0.757 31.134 31.823 0.113 0.000 0.651 446 V HN 0.503 nan 8.190 nan 0.000 0.450 447 K N 0.864 121.318 120.400 0.090 0.000 2.103 447 K HA 0.011 4.330 4.320 -0.001 0.000 0.204 447 K C 2.004 178.656 176.600 0.086 0.000 1.052 447 K CA 1.623 57.961 56.287 0.084 0.000 0.945 447 K CB -0.629 31.899 32.500 0.045 0.000 0.722 447 K HN 0.364 nan 8.250 nan 0.000 0.443 448 A N 0.031 122.897 122.820 0.075 0.000 1.969 448 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 448 A C 2.078 179.698 177.584 0.059 0.000 1.169 448 A CA 1.027 53.086 52.037 0.036 0.000 0.635 448 A CB -1.038 17.960 19.000 -0.005 0.000 0.810 448 A HN 0.605 nan 8.150 nan 0.000 0.445 449 W N 0.855 122.087 121.300 -0.113 0.000 2.421 449 W HA -0.136 4.523 4.660 -0.001 0.000 0.270 449 W C 1.558 178.057 176.519 -0.034 0.000 1.233 449 W CA 1.403 58.688 57.345 -0.100 0.000 1.226 449 W CB 0.015 29.463 29.460 -0.020 0.000 1.121 449 W HN 0.579 nan 8.180 nan 0.000 0.579 450 E N 0.000 120.286 120.200 0.144 0.000 2.333 450 E HA -0.217 4.132 4.350 -0.001 0.000 0.198 450 E C 2.045 178.643 176.600 -0.002 0.000 1.007 450 E CA 0.603 57.051 56.400 0.080 0.000 0.845 450 E CB -0.222 29.523 29.700 0.076 0.000 0.766 450 E HN 0.089 nan 8.360 nan 0.000 0.507 451 K N 0.939 121.296 120.400 -0.072 0.000 2.365 451 K HA -0.044 4.275 4.320 -0.001 0.000 0.199 451 K C 0.389 176.896 176.600 -0.155 0.000 1.045 451 K CA 0.235 56.452 56.287 -0.117 0.000 0.962 451 K CB 0.022 32.427 32.500 -0.159 0.000 0.759 451 K HN 0.120 nan 8.250 nan 0.000 0.469 452 L N 1.564 122.662 121.223 -0.208 0.000 2.349 452 L HA 0.086 4.425 4.340 -0.001 0.000 0.275 452 L C 1.464 178.321 176.870 -0.021 0.000 1.115 452 L CA -0.196 54.532 54.840 -0.186 0.000 0.820 452 L CB 1.039 42.894 42.059 -0.340 0.000 1.135 452 L HN 0.071 nan 8.230 nan 0.000 0.445 453 E N 0.883 121.100 120.200 0.030 0.000 2.076 453 E HA -0.022 4.327 4.350 -0.001 0.000 0.190 453 E C -0.175 176.585 176.600 0.266 0.000 0.979 453 E CA 0.934 57.422 56.400 0.148 0.000 0.807 453 E CB 0.296 30.095 29.700 0.165 0.000 0.761 453 E HN 0.611 nan 8.360 nan 0.000 0.454 454 T N 0.395 115.070 114.554 0.201 0.000 2.881 454 T HA 0.380 4.729 4.350 -0.001 0.000 0.290 454 T C -1.452 173.348 174.700 0.167 0.000 1.000 454 T CA -0.574 61.621 62.100 0.159 0.000 0.978 454 T CB 1.455 70.452 68.868 0.215 0.000 0.997 454 T HN -0.054 nan 8.240 nan 0.000 0.443 455 F N 4.089 123.977 119.950 -0.103 0.000 2.499 455 F HA 0.674 5.200 4.527 -0.001 0.000 0.333 455 F C -1.294 174.469 175.800 -0.062 0.000 1.138 455 F CA -1.397 56.629 58.000 0.044 0.000 0.945 455 F CB 0.938 40.093 39.000 0.259 0.000 1.181 455 F HN 0.302 nan 8.300 nan 0.000 0.435 456 V N 6.645 126.335 119.914 -0.373 0.000 2.459 456 V HA 0.674 4.793 4.120 -0.001 0.000 0.295 456 V C -0.625 175.098 176.094 -0.619 0.000 1.029 456 V CA -0.799 61.128 62.300 -0.622 0.000 0.874 456 V CB 1.553 32.751 31.823 -1.042 0.000 0.985 456 V HN 0.565 nan 8.190 nan 0.000 0.438 457 V N 4.406 124.055 119.914 -0.442 0.000 2.656 457 V HA 0.524 4.644 4.120 -0.001 0.000 0.307 457 V C -0.790 175.306 176.094 0.004 0.000 1.051 457 V CA -0.708 61.453 62.300 -0.231 0.000 0.893 457 V CB 2.143 33.772 31.823 -0.323 0.000 0.999 457 V HN 0.984 nan 8.190 nan 0.000 0.426 458 H N 2.707 121.778 119.070 0.001 0.000 2.495 458 H HA 0.742 5.297 4.556 -0.001 0.000 0.348 458 H C -0.973 174.321 175.328 -0.056 0.000 1.113 458 H CA -0.790 55.236 56.048 -0.036 0.000 1.195 458 H CB 2.455 32.230 29.762 0.020 0.000 1.521 458 H HN 0.614 nan 8.280 nan 0.000 0.509 459 D N 1.508 121.895 120.400 -0.023 0.000 2.665 459 D HA 0.021 4.660 4.640 -0.001 0.000 0.287 459 D C -0.674 175.544 176.300 -0.138 0.000 1.266 459 D CA -0.579 53.338 54.000 -0.139 0.000 0.830 459 D CB 1.581 42.221 40.800 -0.267 0.000 1.356 459 D HN 0.467 nan 8.370 nan 0.000 0.437 460 F N -0.587 119.325 119.950 -0.063 0.000 2.682 460 F HA 0.474 5.000 4.527 -0.001 0.000 0.308 460 F C 0.452 176.200 175.800 -0.088 0.000 1.093 460 F CA -0.272 57.677 58.000 -0.085 0.000 1.244 460 F CB 0.350 39.341 39.000 -0.016 0.000 1.052 460 F HN -0.099 nan 8.300 nan 0.000 0.573 461 Q N 0.397 120.018 119.800 -0.299 0.000 2.353 461 Q HA 0.157 4.496 4.340 -0.001 0.000 0.268 461 Q C -1.585 174.289 176.000 -0.210 0.000 1.045 461 Q CA -0.550 55.214 55.803 -0.065 0.000 0.811 461 Q CB 1.901 30.728 28.738 0.149 0.000 1.305 461 Q HN 0.508 nan 8.270 nan 0.000 0.447 462 W N 3.202 124.453 121.300 -0.082 0.000 1.539 462 W HA 0.020 4.680 4.660 -0.001 0.000 0.502 462 W C 1.008 177.201 176.519 -0.543 0.000 0.689 462 W CA -0.057 57.152 57.345 -0.227 0.000 2.088 462 W CB -0.027 29.360 29.460 -0.120 0.000 1.686 462 W HN 0.413 nan 8.180 nan 0.000 0.211 463 T N -1.053 113.157 114.554 -0.574 0.000 2.788 463 T HA 0.148 4.497 4.350 -0.001 0.000 0.287 463 T C -1.516 172.875 174.700 -0.516 0.000 1.007 463 T CA -1.392 60.073 62.100 -1.058 0.000 1.005 463 T CB 1.155 69.591 68.868 -0.720 0.000 1.012 463 T HN -0.058 nan 8.240 nan 0.000 0.530 464 P HA -0.065 nan 4.420 nan 0.000 0.216 464 P C 1.613 178.856 177.300 -0.094 0.000 1.150 464 P CA 1.169 64.195 63.100 -0.124 0.000 0.837 464 P CB -0.256 31.452 31.700 0.013 0.000 0.786 465 T N -0.684 113.787 114.554 -0.139 0.000 2.737 465 T HA -0.120 4.229 4.350 -0.001 0.000 0.265 465 T C 1.905 176.570 174.700 -0.058 0.000 1.038 465 T CA 1.632 63.695 62.100 -0.062 0.000 1.144 465 T CB -0.969 67.880 68.868 -0.031 0.000 0.866 465 T HN 0.038 nan 8.240 nan 0.000 0.434 466 A N 1.810 124.565 122.820 -0.109 0.000 1.940 466 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 466 A C 2.342 180.027 177.584 0.169 0.000 1.176 466 A CA 1.444 53.419 52.037 -0.103 0.000 0.631 466 A CB -0.508 18.314 19.000 -0.295 0.000 0.814 466 A HN 0.419 nan 8.150 nan 0.000 0.446 467 R N -1.593 119.035 120.500 0.213 0.000 2.148 467 R HA -0.104 4.235 4.340 -0.001 0.000 0.227 467 R C 1.208 177.548 176.300 0.067 0.000 1.103 467 R CA 1.412 57.658 56.100 0.243 0.000 0.983 467 R CB -0.300 30.009 30.300 0.016 0.000 0.874 467 R HN 0.685 nan 8.270 nan 0.000 0.451 468 H N -0.615 118.365 119.070 -0.151 0.000 2.526 468 H HA 0.295 4.851 4.556 -0.001 0.000 0.274 468 H C 0.139 175.525 175.328 0.097 0.000 0.999 468 H CA 0.066 55.958 56.048 -0.259 0.000 1.157 468 H CB 0.399 29.514 29.762 -1.079 0.000 1.407 468 H HN 0.172 nan 8.280 nan 0.000 0.568 469 A N 0.077 123.037 122.820 0.234 0.000 2.304 469 A HA 0.118 4.438 4.320 -0.001 0.000 0.271 469 A C 0.781 178.457 177.584 0.154 0.000 1.091 469 A CA -0.396 51.719 52.037 0.130 0.000 0.812 469 A CB 0.594 19.485 19.000 -0.182 0.000 1.056 469 A HN 0.272 nan 8.150 nan 0.000 0.489 470 D N -0.108 120.284 120.400 -0.013 0.000 2.183 470 D HA 0.098 4.737 4.640 -0.001 0.000 0.205 470 D C 0.038 176.234 176.300 -0.175 0.000 0.962 470 D CA 1.486 55.350 54.000 -0.225 0.000 0.849 470 D CB 0.141 40.417 40.800 -0.874 0.000 0.978 470 D HN 0.480 nan 8.370 nan 0.000 0.488 471 I N 0.996 121.440 120.570 -0.209 0.000 2.478 471 I HA 0.174 4.343 4.170 -0.001 0.000 0.287 471 I C -0.929 175.084 176.117 -0.172 0.000 1.042 471 I CA -0.667 60.547 61.300 -0.144 0.000 1.067 471 I CB 3.012 40.903 38.000 -0.182 0.000 1.233 471 I HN -0.401 nan 8.210 nan 0.000 0.431 472 V N 7.309 127.118 119.914 -0.174 0.000 2.357 472 V HA 0.461 4.581 4.120 -0.001 0.000 0.284 472 V C -0.166 175.737 176.094 -0.319 0.000 1.018 472 V CA -0.482 61.644 62.300 -0.290 0.000 0.841 472 V CB 1.689 33.227 31.823 -0.476 0.000 0.991 472 V HN 0.460 nan 8.190 nan 0.000 0.437 473 L N 7.606 128.677 121.223 -0.253 0.000 2.313 473 L HA 0.519 4.858 4.340 -0.001 0.000 0.283 473 L C -2.363 174.374 176.870 -0.222 0.000 1.013 473 L CA -1.860 52.797 54.840 -0.306 0.000 0.816 473 L CB 2.507 44.411 42.059 -0.258 0.000 1.236 473 L HN 0.394 nan 8.230 nan 0.000 0.419 474 P HA 0.172 nan 4.420 nan 0.000 0.276 474 P C -0.702 176.647 177.300 0.083 0.000 1.253 474 P CA -0.107 62.938 63.100 -0.093 0.000 0.766 474 P CB 1.402 33.053 31.700 -0.083 0.000 0.845 475 A N 4.081 126.944 122.820 0.072 0.000 2.264 475 A HA 0.663 4.982 4.320 -0.001 0.000 0.304 475 A C 0.614 178.275 177.584 0.129 0.000 1.100 475 A CA -0.312 51.795 52.037 0.117 0.000 0.839 475 A CB 0.173 19.293 19.000 0.200 0.000 1.121 475 A HN 0.582 nan 8.150 nan 0.000 0.496 476 T N -0.975 113.601 114.554 0.036 0.000 2.902 476 T HA 0.570 4.919 4.350 -0.001 0.000 0.280 476 T C 0.614 175.189 174.700 -0.208 0.000 0.992 476 T CA 0.130 62.178 62.100 -0.085 0.000 1.015 476 T CB 0.824 69.609 68.868 -0.139 0.000 1.044 476 T HN 1.083 nan 8.240 nan 0.000 0.520 477 T N -0.739 113.512 114.554 -0.504 0.000 2.771 477 T HA 0.278 4.627 4.350 -0.001 0.000 0.290 477 T C 1.457 175.792 174.700 -0.608 0.000 1.005 477 T CA -0.487 61.127 62.100 -0.811 0.000 0.944 477 T CB 0.208 68.515 68.868 -0.935 0.000 1.147 477 T HN 0.491 nan 8.240 nan 0.000 0.534 478 S N -0.119 115.080 115.700 -0.836 0.000 2.447 478 S HA -0.005 4.464 4.470 -0.001 0.000 0.233 478 S C 1.325 175.574 174.600 -0.586 0.000 1.006 478 S CA 0.579 58.383 58.200 -0.661 0.000 0.957 478 S CB -0.662 62.179 63.200 -0.598 0.000 0.773 478 S HN 0.736 nan 8.310 nan 0.000 0.507 479 Y N 1.437 121.719 120.300 -0.030 0.000 2.578 479 Y HA 0.183 4.733 4.550 -0.001 0.000 0.297 479 Y C 1.532 177.420 175.900 -0.020 0.000 1.176 479 Y CA -0.181 57.935 58.100 0.026 0.000 1.315 479 Y CB -0.628 37.919 38.460 0.145 0.000 1.031 479 Y HN 0.305 nan 8.280 nan 0.000 0.524 480 E N 0.595 120.743 120.200 -0.088 0.000 2.558 480 E HA 0.196 4.545 4.350 -0.001 0.000 0.205 480 E C 0.246 176.789 176.600 -0.094 0.000 1.006 480 E CA -0.227 56.127 56.400 -0.076 0.000 0.961 480 E CB 0.431 30.057 29.700 -0.122 0.000 1.044 480 E HN 0.415 nan 8.360 nan 0.000 0.465 481 R N -1.032 119.410 120.500 -0.097 0.000 2.762 481 R HA 0.413 4.752 4.340 -0.001 0.000 0.271 481 R C -1.065 175.269 176.300 0.057 0.000 1.038 481 R CA -0.953 55.105 56.100 -0.070 0.000 0.906 481 R CB 0.657 30.770 30.300 -0.311 0.000 1.259 481 R HN -0.192 nan 8.270 nan 0.000 0.457 482 N N 0.014 118.821 118.700 0.180 0.000 2.456 482 N HA 0.393 5.132 4.740 -0.001 0.000 0.296 482 N C -1.329 174.405 175.510 0.373 0.000 1.102 482 N CA -0.198 53.033 53.050 0.303 0.000 0.924 482 N CB 1.622 40.279 38.487 0.283 0.000 1.186 482 N HN 0.518 nan 8.380 nan 0.000 0.492 483 D N 0.193 120.849 120.400 0.425 0.000 2.768 483 D HA 0.496 5.135 4.640 -0.001 0.000 0.327 483 D C -1.368 175.178 176.300 0.409 0.000 1.302 483 D CA -0.431 53.781 54.000 0.354 0.000 0.897 483 D CB 2.245 43.215 40.800 0.284 0.000 1.420 483 D HN 0.379 nan 8.370 nan 0.000 0.494 484 I N 0.611 121.382 120.570 0.335 0.000 2.686 484 I HA 0.593 4.762 4.170 -0.001 0.000 0.295 484 I C -1.764 174.464 176.117 0.186 0.000 1.114 484 I CA -0.376 61.133 61.300 0.347 0.000 1.038 484 I CB 2.004 40.315 38.000 0.518 0.000 1.238 484 I HN 0.327 nan 8.210 nan 0.000 0.420 485 E N 3.474 123.750 120.200 0.126 0.000 2.388 485 E HA 0.396 4.745 4.350 -0.001 0.000 0.280 485 E C -1.453 175.169 176.600 0.036 0.000 1.019 485 E CA -0.455 55.971 56.400 0.044 0.000 0.806 485 E CB 2.026 31.714 29.700 -0.019 0.000 1.246 485 E HN 0.556 nan 8.360 nan 0.000 0.443 486 T N 3.007 117.578 114.554 0.028 0.000 2.926 486 T HA 0.356 4.705 4.350 -0.001 0.000 0.307 486 T C 0.324 175.032 174.700 0.014 0.000 1.059 486 T CA 0.095 62.222 62.100 0.045 0.000 1.122 486 T CB 0.033 68.931 68.868 0.051 0.000 0.972 486 T HN 0.303 nan 8.240 nan 0.000 0.545 487 I N 2.455 123.035 120.570 0.017 0.000 2.307 487 I HA 0.509 4.679 4.170 -0.001 0.000 0.289 487 I C 0.793 176.952 176.117 0.070 0.000 1.021 487 I CA -0.061 61.247 61.300 0.014 0.000 1.224 487 I CB 0.843 38.837 38.000 -0.009 0.000 1.376 487 I HN 0.890 nan 8.210 nan 0.000 0.470 488 G N 4.695 113.534 108.800 0.065 0.000 3.017 488 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.680 488 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.680 488 G C 0.051 174.981 174.900 0.050 0.000 1.179 488 G CA -0.742 44.413 45.100 0.091 0.000 1.142 488 G HN 0.726 nan 8.290 nan 0.000 0.489 489 D N 0.214 120.604 120.400 -0.017 0.000 2.158 489 D HA -0.151 4.489 4.640 -0.001 0.000 0.197 489 D C 1.488 177.619 176.300 -0.283 0.000 0.995 489 D CA 2.101 55.987 54.000 -0.191 0.000 0.846 489 D CB 0.291 40.867 40.800 -0.373 0.000 0.941 489 D HN 0.681 nan 8.370 nan 0.000 0.456 490 Y N -0.120 120.219 120.300 0.065 0.000 2.607 490 Y HA -0.005 4.544 4.550 -0.001 0.000 0.276 490 Y C 2.668 178.602 175.900 0.057 0.000 1.117 490 Y CA 0.384 58.514 58.100 0.050 0.000 1.273 490 Y CB -0.252 38.237 38.460 0.049 0.000 1.282 490 Y HN -0.104 nan 8.280 nan 0.000 0.514 491 S N 0.183 116.032 115.700 0.249 0.000 2.402 491 S HA -0.161 4.308 4.470 -0.001 0.000 0.229 491 S C 1.022 175.729 174.600 0.179 0.000 1.021 491 S CA 0.809 59.130 58.200 0.201 0.000 0.974 491 S CB -0.620 62.704 63.200 0.207 0.000 0.800 491 S HN 0.515 nan 8.310 nan 0.000 0.484 492 N N 1.070 119.870 118.700 0.168 0.000 2.696 492 N HA -0.140 4.599 4.740 -0.001 0.000 0.256 492 N C 0.363 176.044 175.510 0.285 0.000 1.031 492 N CA 0.937 54.111 53.050 0.206 0.000 0.730 492 N CB -1.919 36.677 38.487 0.181 0.000 0.894 492 N HN 0.514 nan 8.380 nan 0.000 0.544 493 T N -1.312 113.363 114.554 0.202 0.000 2.788 493 T HA 0.201 4.551 4.350 -0.001 0.000 0.268 493 T C 1.130 175.855 174.700 0.042 0.000 1.044 493 T CA 1.467 63.671 62.100 0.173 0.000 1.139 493 T CB -0.099 68.883 68.868 0.189 0.000 0.867 493 T HN 0.772 nan 8.240 nan 0.000 0.454 494 G N -0.607 108.161 108.800 -0.054 0.000 2.428 494 G HA2 0.560 4.519 3.960 -0.001 0.000 0.305 494 G HA3 0.560 4.519 3.960 -0.001 0.000 0.305 494 G C -2.063 172.727 174.900 -0.183 0.000 1.260 494 G CA -0.947 43.866 45.100 -0.479 0.000 0.853 494 G HN 0.216 nan 8.290 nan 0.000 0.480 495 I N 0.296 120.751 120.570 -0.191 0.000 2.498 495 I HA 0.531 4.700 4.170 -0.001 0.000 0.290 495 I C -0.995 175.181 176.117 0.098 0.000 1.032 495 I CA -0.759 60.557 61.300 0.027 0.000 1.073 495 I CB 2.123 40.177 38.000 0.090 0.000 1.251 495 I HN 0.406 nan 8.210 nan 0.000 0.426 496 L N 5.638 126.896 121.223 0.057 0.000 2.334 496 L HA 0.771 5.110 4.340 -0.001 0.000 0.276 496 L C -0.099 176.774 176.870 0.006 0.000 1.014 496 L CA -0.206 54.599 54.840 -0.059 0.000 0.815 496 L CB 1.737 43.650 42.059 -0.243 0.000 1.268 496 L HN 0.679 nan 8.230 nan 0.000 0.428 497 A N 5.775 128.403 122.820 -0.321 0.000 2.310 497 A HA 0.456 4.775 4.320 -0.001 0.000 0.300 497 A C -0.115 177.152 177.584 -0.529 0.000 1.269 497 A CA -0.316 51.316 52.037 -0.675 0.000 0.909 497 A CB -0.323 17.643 19.000 -1.722 0.000 1.144 497 A HN 0.785 nan 8.150 nan 0.000 0.540 498 M N 3.714 123.191 119.600 -0.206 0.000 2.974 498 M HA 0.104 4.583 4.480 -0.001 0.000 0.301 498 M C 0.027 176.296 176.300 -0.052 0.000 1.409 498 M CA 0.368 55.587 55.300 -0.135 0.000 1.515 498 M CB -0.182 32.412 32.600 -0.010 0.000 1.163 498 M HN 0.547 nan 8.290 nan 0.000 0.520 499 K N 2.122 122.409 120.400 -0.188 0.000 2.270 499 K HA 0.170 4.490 4.320 -0.001 0.000 0.276 499 K C 0.160 176.785 176.600 0.042 0.000 1.023 499 K CA -0.316 55.953 56.287 -0.031 0.000 0.955 499 K CB 0.940 33.330 32.500 -0.184 0.000 0.975 499 K HN 0.381 nan 8.250 nan 0.000 0.471 500 K N 3.243 123.719 120.400 0.127 0.000 2.472 500 K HA -0.050 4.270 4.320 -0.001 0.000 0.280 500 K C 0.399 177.043 176.600 0.072 0.000 1.028 500 K CA 0.250 56.590 56.287 0.089 0.000 1.045 500 K CB 0.352 32.902 32.500 0.084 0.000 0.902 500 K HN 0.534 nan 8.250 nan 0.000 0.478 501 I N 3.722 124.351 120.570 0.097 0.000 2.729 501 I HA -0.033 4.137 4.170 -0.001 0.000 0.256 501 I C 0.332 176.514 176.117 0.107 0.000 1.115 501 I CA 0.154 61.521 61.300 0.112 0.000 1.446 501 I CB 0.668 38.783 38.000 0.192 0.000 1.176 501 I HN 0.469 nan 8.210 nan 0.000 0.446 502 V N -2.587 117.389 119.914 0.104 0.000 3.130 502 V HA 0.518 4.637 4.120 -0.001 0.000 0.310 502 V C -0.650 175.464 176.094 0.033 0.000 1.158 502 V CA -1.047 61.299 62.300 0.077 0.000 1.029 502 V CB 1.874 33.760 31.823 0.105 0.000 1.057 502 V HN -0.089 nan 8.190 nan 0.000 0.436 503 E N 1.453 121.663 120.200 0.016 0.000 2.390 503 E HA 0.364 4.714 4.350 -0.001 0.000 0.261 503 E C -2.543 174.038 176.600 -0.032 0.000 1.076 503 E CA -2.017 54.379 56.400 -0.007 0.000 0.905 503 E CB 0.380 30.076 29.700 -0.007 0.000 0.984 503 E HN 0.590 nan 8.360 nan 0.000 0.427 504 P HA -0.091 nan 4.420 nan 0.000 0.261 504 P C -0.411 176.854 177.300 -0.058 0.000 1.165 504 P CA 0.302 63.371 63.100 -0.052 0.000 0.759 504 P CB 0.279 31.956 31.700 -0.038 0.000 0.772 505 L N 5.310 126.483 121.223 -0.083 0.000 2.417 505 L HA 0.188 4.527 4.340 -0.001 0.000 0.268 505 L C 0.744 177.605 176.870 -0.016 0.000 1.158 505 L CA 0.423 55.160 54.840 -0.170 0.000 0.819 505 L CB -0.465 41.470 42.059 -0.206 0.000 1.112 505 L HN 0.488 nan 8.230 nan 0.000 0.458 506 Y N 0.346 120.660 120.300 0.024 0.000 2.753 506 Y HA -0.410 4.139 4.550 -0.001 0.000 0.449 506 Y C 1.270 177.231 175.900 0.101 0.000 1.127 506 Y CA 1.359 59.479 58.100 0.034 0.000 2.530 506 Y CB -0.804 37.594 38.460 -0.104 0.000 1.155 506 Y HN 0.630 nan 8.280 nan 0.000 0.645 507 E N 1.275 121.681 120.200 0.343 0.000 2.419 507 E HA 0.480 4.829 4.350 -0.001 0.000 0.190 507 E C 0.147 177.031 176.600 0.473 0.000 1.040 507 E CA 0.279 56.936 56.400 0.428 0.000 0.900 507 E CB 0.105 30.126 29.700 0.534 0.000 1.054 507 E HN 0.467 nan 8.360 nan 0.000 0.462 508 A N 1.752 124.738 122.820 0.275 0.000 2.445 508 A HA 0.271 4.590 4.320 -0.001 0.000 0.242 508 A C 0.178 177.830 177.584 0.113 0.000 1.075 508 A CA 0.242 52.411 52.037 0.220 0.000 0.777 508 A CB 0.363 19.431 19.000 0.113 0.000 1.013 508 A HN 0.162 nan 8.150 nan 0.000 0.493 509 R N 0.806 121.336 120.500 0.050 0.000 2.795 509 R HA 0.480 4.820 4.340 -0.001 0.000 0.275 509 R C -0.135 176.097 176.300 -0.113 0.000 0.981 509 R CA -0.412 55.590 56.100 -0.164 0.000 0.917 509 R CB 2.017 31.983 30.300 -0.556 0.000 1.202 509 R HN 0.907 nan 8.270 nan 0.000 0.469 510 S N 0.176 115.815 115.700 -0.102 0.000 2.573 510 S HA -0.009 4.460 4.470 -0.001 0.000 0.277 510 S C 0.552 175.157 174.600 0.009 0.000 1.346 510 S CA -0.443 57.732 58.200 -0.041 0.000 1.034 510 S CB 0.711 63.907 63.200 -0.007 0.000 0.879 510 S HN 0.563 nan 8.310 nan 0.000 0.528 511 D N 0.549 121.013 120.400 0.106 0.000 2.149 511 D HA -0.168 4.471 4.640 -0.001 0.000 0.198 511 D C 1.455 177.877 176.300 0.203 0.000 0.990 511 D CA 1.671 55.748 54.000 0.128 0.000 0.839 511 D CB -0.256 40.744 40.800 0.332 0.000 0.948 511 D HN 0.793 nan 8.370 nan 0.000 0.460 512 Y N 2.400 122.854 120.300 0.256 0.000 2.081 512 Y HA -0.255 4.295 4.550 -0.001 0.000 0.280 512 Y C 1.870 177.872 175.900 0.171 0.000 1.163 512 Y CA 1.869 60.161 58.100 0.320 0.000 1.135 512 Y CB -0.202 38.437 38.460 0.298 0.000 0.970 512 Y HN -0.168 nan 8.280 nan 0.000 0.498 513 D N 0.122 120.686 120.400 0.272 0.000 2.117 513 D HA -0.193 4.446 4.640 -0.001 0.000 0.197 513 D C 2.313 178.503 176.300 -0.184 0.000 0.987 513 D CA 1.837 55.869 54.000 0.053 0.000 0.829 513 D CB -0.407 40.371 40.800 -0.037 0.000 0.961 513 D HN 0.469 nan 8.370 nan 0.000 0.460 514 I N 0.026 120.429 120.570 -0.277 0.000 2.127 514 I HA -0.284 3.885 4.170 -0.001 0.000 0.241 514 I C 2.047 177.962 176.117 -0.337 0.000 1.075 514 I CA 0.942 62.016 61.300 -0.378 0.000 1.334 514 I CB -0.243 37.427 38.000 -0.549 0.000 1.040 514 I HN -0.093 nan 8.210 nan 0.000 0.405 515 F N 0.849 120.646 119.950 -0.255 0.000 2.234 515 F HA -0.121 4.405 4.527 -0.001 0.000 0.299 515 F C 2.537 177.684 175.800 -1.087 0.000 1.087 515 F CA 1.024 58.692 58.000 -0.554 0.000 1.340 515 F CB -1.055 37.623 39.000 -0.536 0.000 1.031 515 F HN 0.005 nan 8.300 nan 0.000 0.500 516 A N -0.166 122.122 122.820 -0.887 0.000 1.969 516 A HA 0.024 4.343 4.320 -0.001 0.000 0.218 516 A C 2.428 179.825 177.584 -0.312 0.000 1.169 516 A CA 1.506 53.119 52.037 -0.707 0.000 0.635 516 A CB -1.102 17.719 19.000 -0.298 0.000 0.810 516 A HN 0.278 nan 8.150 nan 0.000 0.445 517 A N -0.577 122.107 122.820 -0.227 0.000 1.873 517 A HA 0.049 4.368 4.320 -0.001 0.000 0.215 517 A C 2.217 179.757 177.584 -0.074 0.000 1.186 517 A CA 1.645 53.612 52.037 -0.118 0.000 0.616 517 A CB -0.864 18.073 19.000 -0.104 0.000 0.823 517 A HN 0.332 nan 8.150 nan 0.000 0.442 518 V N -0.049 119.821 119.914 -0.073 0.000 2.295 518 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 518 V C 3.085 179.168 176.094 -0.018 0.000 1.049 518 V CA 1.950 64.257 62.300 0.012 0.000 1.024 518 V CB -1.218 30.672 31.823 0.111 0.000 0.648 518 V HN 0.609 nan 8.190 nan 0.000 0.447 519 A N 0.027 122.775 122.820 -0.119 0.000 1.908 519 A HA -0.297 4.023 4.320 -0.001 0.000 0.218 519 A C 2.181 179.754 177.584 -0.017 0.000 1.181 519 A CA 2.244 54.232 52.037 -0.081 0.000 0.627 519 A CB -0.577 18.312 19.000 -0.185 0.000 0.818 519 A HN 0.602 nan 8.150 nan 0.000 0.445 520 E N 0.203 120.384 120.200 -0.032 0.000 2.058 520 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 520 E C 2.069 178.680 176.600 0.019 0.000 0.997 520 E CA 1.777 58.181 56.400 0.006 0.000 0.801 520 E CB -0.288 29.412 29.700 -0.000 0.000 0.746 520 E HN 0.596 nan 8.360 nan 0.000 0.450 521 R N -0.387 120.124 120.500 0.019 0.000 2.193 521 R HA -0.010 4.329 4.340 -0.001 0.000 0.229 521 R C 2.063 178.388 176.300 0.041 0.000 1.110 521 R CA 1.159 57.280 56.100 0.034 0.000 0.988 521 R CB -0.247 30.080 30.300 0.045 0.000 0.871 521 R HN 0.269 nan 8.270 nan 0.000 0.458 522 L N -0.595 120.653 121.223 0.042 0.000 2.591 522 L HA 0.183 4.522 4.340 -0.001 0.000 0.228 522 L C 1.028 177.925 176.870 0.045 0.000 1.133 522 L CA 0.359 55.228 54.840 0.048 0.000 0.880 522 L CB 0.192 42.285 42.059 0.056 0.000 1.033 522 L HN 0.447 nan 8.230 nan 0.000 0.450 523 G N 0.271 109.096 108.800 0.041 0.000 2.132 523 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.234 523 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.234 523 G C 0.478 175.408 174.900 0.049 0.000 0.989 523 G CA -0.142 44.982 45.100 0.041 0.000 0.676 523 G HN 0.236 nan 8.290 nan 0.000 0.522 524 K N 0.205 120.640 120.400 0.059 0.000 2.934 524 K HA 0.355 4.674 4.320 -0.001 0.000 0.210 524 K C 1.871 178.535 176.600 0.107 0.000 1.122 524 K CA 0.273 56.609 56.287 0.080 0.000 1.033 524 K CB 0.489 33.044 32.500 0.091 0.000 0.779 524 K HN 0.313 nan 8.250 nan 0.000 0.459 525 G N 1.070 109.921 108.800 0.085 0.000 2.418 525 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.217 525 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.217 525 G C 1.427 176.419 174.900 0.152 0.000 1.158 525 G CA 1.142 46.303 45.100 0.101 0.000 0.771 525 G HN 0.362 nan 8.290 nan 0.000 0.545 526 A N 0.659 123.548 122.820 0.116 0.000 1.929 526 A HA 0.103 4.422 4.320 -0.001 0.000 0.216 526 A C 2.194 179.853 177.584 0.125 0.000 1.176 526 A CA 1.953 54.055 52.037 0.108 0.000 0.628 526 A CB -0.239 18.801 19.000 0.067 0.000 0.816 526 A HN 0.339 nan 8.150 nan 0.000 0.444 527 E N -1.019 119.256 120.200 0.125 0.000 2.106 527 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 527 E C 1.566 178.260 176.600 0.156 0.000 0.984 527 E CA 1.163 57.635 56.400 0.119 0.000 0.806 527 E CB -0.360 29.401 29.700 0.102 0.000 0.750 527 E HN 0.690 nan 8.360 nan 0.000 0.458 528 F N 0.901 120.887 119.950 0.060 0.000 2.163 528 F HA -0.153 4.374 4.527 -0.001 0.000 0.297 528 F C 2.294 178.180 175.800 0.144 0.000 1.094 528 F CA 1.774 59.798 58.000 0.040 0.000 1.290 528 F CB -0.367 38.611 39.000 -0.037 0.000 1.017 528 F HN 0.068 nan 8.300 nan 0.000 0.483 529 T N -2.977 111.793 114.554 0.360 0.000 3.043 529 T HA -0.012 4.338 4.350 -0.001 0.000 0.263 529 T C 1.104 176.060 174.700 0.426 0.000 1.094 529 T CA 0.868 63.261 62.100 0.487 0.000 1.127 529 T CB -0.147 68.974 68.868 0.422 0.000 0.905 529 T HN 0.249 nan 8.240 nan 0.000 0.490 530 E N 0.827 121.160 120.200 0.221 0.000 2.791 530 E HA -0.168 4.181 4.350 -0.001 0.000 0.271 530 E C 1.053 177.598 176.600 -0.091 0.000 1.044 530 E CA 1.104 57.533 56.400 0.048 0.000 0.814 530 E CB -2.016 27.682 29.700 -0.002 0.000 1.400 530 E HN 1.128 nan 8.360 nan 0.000 0.423 531 G N -0.857 107.928 108.800 -0.024 0.000 2.166 531 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.260 531 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.260 531 G C 0.329 175.147 174.900 -0.135 0.000 0.986 531 G CA 0.970 46.034 45.100 -0.060 0.000 0.683 531 G HN 0.449 nan 8.290 nan 0.000 0.527 532 K N 0.371 120.642 120.400 -0.215 0.000 2.221 532 K HA 0.568 4.887 4.320 -0.001 0.000 0.243 532 K C -0.115 176.427 176.600 -0.096 0.000 0.968 532 K CA -0.422 55.645 56.287 -0.367 0.000 0.846 532 K CB 1.269 33.136 32.500 -1.055 0.000 1.141 532 K HN 0.276 nan 8.250 nan 0.000 0.434 533 D N -0.669 119.658 120.400 -0.121 0.000 2.627 533 D HA 0.014 4.654 4.640 -0.001 0.000 0.259 533 D C 0.819 177.097 176.300 -0.037 0.000 1.164 533 D CA -0.523 53.475 54.000 -0.004 0.000 1.087 533 D CB 0.277 41.058 40.800 -0.032 0.000 1.217 533 D HN 0.623 nan 8.370 nan 0.000 0.630 534 E N -0.933 119.204 120.200 -0.105 0.000 2.049 534 E HA -0.216 4.133 4.350 -0.001 0.000 0.198 534 E C 1.860 178.364 176.600 -0.160 0.000 1.007 534 E CA 1.414 57.720 56.400 -0.158 0.000 0.809 534 E CB -0.031 29.606 29.700 -0.105 0.000 0.749 534 E HN 0.330 nan 8.360 nan 0.000 0.450 535 M N -0.034 119.452 119.600 -0.190 0.000 2.319 535 M HA 0.005 4.484 4.480 -0.001 0.000 0.265 535 M C 2.351 178.444 176.300 -0.345 0.000 1.068 535 M CA 1.189 56.327 55.300 -0.270 0.000 1.118 535 M CB -0.855 31.595 32.600 -0.249 0.000 1.395 535 M HN 0.277 nan 8.290 nan 0.000 0.435 536 G N -0.848 107.765 108.800 -0.312 0.000 2.418 536 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.217 536 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.217 536 G C 1.369 175.948 174.900 -0.535 0.000 1.158 536 G CA 0.356 45.206 45.100 -0.415 0.000 0.771 536 G HN 0.445 nan 8.290 nan 0.000 0.545 537 W N 0.626 121.625 121.300 -0.502 0.000 2.355 537 W HA 0.073 4.732 4.660 -0.001 0.000 0.309 537 W C 2.607 178.380 176.519 -1.243 0.000 1.206 537 W CA 0.273 57.149 57.345 -0.782 0.000 1.284 537 W CB -0.177 28.955 29.460 -0.546 0.000 1.145 537 W HN 0.097 nan 8.180 nan 0.000 0.502 538 I N 0.306 120.574 120.570 -0.504 0.000 2.179 538 I HA -0.336 3.833 4.170 -0.001 0.000 0.242 538 I C 2.433 178.284 176.117 -0.443 0.000 1.088 538 I CA 1.530 62.638 61.300 -0.321 0.000 1.357 538 I CB -0.609 37.347 38.000 -0.073 0.000 1.051 538 I HN -0.046 nan 8.210 nan 0.000 0.409 539 K N 0.961 120.875 120.400 -0.809 0.000 2.097 539 K HA -0.192 4.127 4.320 -0.001 0.000 0.206 539 K C 2.322 178.630 176.600 -0.486 0.000 1.049 539 K CA 1.776 57.429 56.287 -1.056 0.000 0.933 539 K CB -0.047 31.775 32.500 -1.130 0.000 0.717 539 K HN 0.385 nan 8.250 nan 0.000 0.442 540 S N -0.027 115.375 115.700 -0.498 0.000 2.382 540 S HA -0.145 4.324 4.470 -0.001 0.000 0.228 540 S C 1.782 176.319 174.600 -0.104 0.000 1.027 540 S CA 0.952 58.958 58.200 -0.324 0.000 0.991 540 S CB -0.592 62.379 63.200 -0.382 0.000 0.823 540 S HN 0.243 nan 8.310 nan 0.000 0.469 541 F N 0.853 120.810 119.950 0.012 0.000 2.128 541 F HA 0.143 4.669 4.527 -0.001 0.000 0.295 541 F C 2.459 178.276 175.800 0.029 0.000 1.100 541 F CA -0.006 58.016 58.000 0.038 0.000 1.260 541 F CB -1.695 37.349 39.000 0.072 0.000 1.009 541 F HN 0.215 nan 8.300 nan 0.000 0.476 542 Y N 1.558 121.922 120.300 0.106 0.000 2.128 542 Y HA -0.265 4.284 4.550 -0.001 0.000 0.284 542 Y C 2.148 178.057 175.900 0.015 0.000 1.154 542 Y CA 1.961 60.090 58.100 0.049 0.000 1.149 542 Y CB -0.616 37.920 38.460 0.127 0.000 0.976 542 Y HN -0.022 nan 8.280 nan 0.000 0.505 543 D N 0.078 120.513 120.400 0.058 0.000 2.149 543 D HA -0.177 4.463 4.640 -0.001 0.000 0.198 543 D C 1.703 177.945 176.300 -0.098 0.000 0.990 543 D CA 1.645 55.634 54.000 -0.019 0.000 0.839 543 D CB -0.387 40.417 40.800 0.006 0.000 0.948 543 D HN 0.456 nan 8.370 nan 0.000 0.460 544 D N 0.249 120.614 120.400 -0.057 0.000 2.144 544 D HA -0.066 4.573 4.640 -0.001 0.000 0.200 544 D C 2.019 178.257 176.300 -0.104 0.000 0.978 544 D CA 1.176 55.146 54.000 -0.050 0.000 0.833 544 D CB -0.286 40.521 40.800 0.012 0.000 0.961 544 D HN 0.146 nan 8.370 nan 0.000 0.470 545 A N 1.037 123.764 122.820 -0.155 0.000 1.877 545 A HA -0.030 4.289 4.320 -0.001 0.000 0.216 545 A C 2.312 179.734 177.584 -0.270 0.000 1.186 545 A CA 2.142 54.056 52.037 -0.205 0.000 0.620 545 A CB -0.763 18.100 19.000 -0.228 0.000 0.822 545 A HN 0.225 nan 8.150 nan 0.000 0.443 546 A N -0.307 122.275 122.820 -0.397 0.000 1.972 546 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 546 A C 2.133 179.625 177.584 -0.154 0.000 1.169 546 A CA 2.008 53.855 52.037 -0.315 0.000 0.635 546 A CB -0.412 18.358 19.000 -0.383 0.000 0.810 546 A HN 0.574 nan 8.150 nan 0.000 0.446 547 K N -1.019 119.306 120.400 -0.126 0.000 2.062 547 K HA -0.176 4.144 4.320 -0.001 0.000 0.205 547 K C 2.247 178.799 176.600 -0.081 0.000 1.051 547 K CA 1.530 57.770 56.287 -0.078 0.000 0.941 547 K CB -0.129 32.334 32.500 -0.061 0.000 0.719 547 K HN 0.397 nan 8.250 nan 0.000 0.440 548 Q N 0.093 119.832 119.800 -0.102 0.000 2.079 548 Q HA -0.050 4.289 4.340 -0.001 0.000 0.200 548 Q C 1.840 177.769 176.000 -0.119 0.000 0.974 548 Q CA 2.058 57.799 55.803 -0.103 0.000 0.840 548 Q CB -0.560 28.110 28.738 -0.114 0.000 0.898 548 Q HN 0.468 nan 8.270 nan 0.000 0.430 549 G N 0.585 109.296 108.800 -0.148 0.000 2.421 549 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.216 549 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.216 549 G C 1.370 176.218 174.900 -0.086 0.000 1.171 549 G CA 0.924 45.934 45.100 -0.150 0.000 0.775 549 G HN 0.351 nan 8.290 nan 0.000 0.543 550 K N 0.684 121.046 120.400 -0.064 0.000 2.063 550 K HA -0.055 4.265 4.320 -0.001 0.000 0.208 550 K C 2.646 179.225 176.600 -0.035 0.000 1.048 550 K CA 1.359 57.626 56.287 -0.034 0.000 0.928 550 K CB -0.333 32.154 32.500 -0.022 0.000 0.713 550 K HN 0.225 nan 8.250 nan 0.000 0.442 551 A N 0.121 122.914 122.820 -0.045 0.000 2.172 551 A HA 0.035 4.354 4.320 -0.001 0.000 0.216 551 A C 1.809 179.368 177.584 -0.043 0.000 1.154 551 A CA 1.442 53.455 52.037 -0.040 0.000 0.701 551 A CB -0.246 18.729 19.000 -0.043 0.000 0.789 551 A HN 0.440 nan 8.150 nan 0.000 0.465 552 A N -2.251 120.536 122.820 -0.056 0.000 2.390 552 A HA 0.470 4.789 4.320 -0.001 0.000 0.232 552 A C 1.555 179.113 177.584 -0.044 0.000 1.233 552 A CA 0.972 52.974 52.037 -0.059 0.000 0.907 552 A CB -0.383 18.561 19.000 -0.092 0.000 0.967 552 A HN 1.742 nan 8.150 nan 0.000 0.512 553 G N -1.345 107.435 108.800 -0.032 0.000 2.132 553 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.234 553 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.234 553 G C 0.111 175.007 174.900 -0.008 0.000 0.989 553 G CA 0.175 45.267 45.100 -0.014 0.000 0.676 553 G HN 0.907 nan 8.290 nan 0.000 0.522 554 V N 1.332 121.231 119.914 -0.024 0.000 2.326 554 V HA 0.279 4.398 4.120 -0.001 0.000 0.254 554 V C 0.568 176.672 176.094 0.016 0.000 1.022 554 V CA -0.707 61.589 62.300 -0.007 0.000 1.074 554 V CB 0.548 32.318 31.823 -0.089 0.000 1.305 554 V HN 0.462 nan 8.190 nan 0.000 0.506 555 E N 2.640 122.862 120.200 0.037 0.000 2.392 555 E HA 0.438 4.788 4.350 -0.001 0.000 0.264 555 E C -0.433 176.224 176.600 0.094 0.000 1.024 555 E CA 0.132 56.560 56.400 0.047 0.000 0.903 555 E CB 1.029 30.756 29.700 0.045 0.000 0.963 555 E HN 0.463 nan 8.360 nan 0.000 0.432 556 M N 2.705 122.366 119.600 0.102 0.000 2.664 556 M HA 0.385 4.865 4.480 -0.001 0.000 0.314 556 M C -2.147 174.278 176.300 0.209 0.000 1.200 556 M CA -2.090 53.315 55.300 0.175 0.000 0.916 556 M CB 1.479 34.162 32.600 0.138 0.000 1.717 556 M HN 0.386 nan 8.290 nan 0.000 0.470 557 P HA 0.221 nan 4.420 nan 0.000 0.271 557 P C -0.970 176.530 177.300 0.334 0.000 1.244 557 P CA -0.429 62.817 63.100 0.243 0.000 0.793 557 P CB 0.129 31.959 31.700 0.216 0.000 0.984 558 A N 0.206 123.173 122.820 0.245 0.000 2.406 558 A HA 0.066 4.385 4.320 -0.001 0.000 0.243 558 A C 1.095 178.832 177.584 0.254 0.000 1.082 558 A CA -0.341 51.855 52.037 0.266 0.000 0.786 558 A CB -0.641 18.457 19.000 0.163 0.000 1.029 558 A HN 0.597 nan 8.150 nan 0.000 0.495 559 F N 0.951 120.969 119.950 0.113 0.000 2.065 559 F HA -0.246 4.281 4.527 -0.001 0.000 0.298 559 F C 1.771 177.587 175.800 0.026 0.000 1.112 559 F CA 2.772 60.721 58.000 -0.085 0.000 1.212 559 F CB -0.364 38.630 39.000 -0.010 0.000 0.975 559 F HN 0.804 nan 8.300 nan 0.000 0.476 560 D N -0.163 120.161 120.400 -0.126 0.000 2.123 560 D HA -0.177 4.463 4.640 -0.001 0.000 0.196 560 D C 2.205 178.406 176.300 -0.165 0.000 0.992 560 D CA 1.490 55.369 54.000 -0.202 0.000 0.833 560 D CB -0.343 40.432 40.800 -0.041 0.000 0.954 560 D HN 0.340 nan 8.370 nan 0.000 0.455 561 A N -0.422 122.355 122.820 -0.072 0.000 1.902 561 A HA -0.097 4.222 4.320 -0.001 0.000 0.217 561 A C 2.131 179.667 177.584 -0.080 0.000 1.181 561 A CA 1.337 53.348 52.037 -0.043 0.000 0.623 561 A CB -1.122 17.896 19.000 0.030 0.000 0.818 561 A HN 0.467 nan 8.150 nan 0.000 0.443 562 F N -0.848 118.966 119.950 -0.226 0.000 2.113 562 F HA -0.161 4.365 4.527 -0.001 0.000 0.297 562 F C 2.164 177.762 175.800 -0.336 0.000 1.103 562 F CA 1.637 59.474 58.000 -0.271 0.000 1.248 562 F CB -0.480 38.249 39.000 -0.452 0.000 0.999 562 F HN 0.482 nan 8.300 nan 0.000 0.475 563 W N 1.511 122.212 121.300 -0.999 0.000 2.358 563 W HA -0.192 4.467 4.660 -0.001 0.000 0.303 563 W C 2.331 178.460 176.519 -0.650 0.000 1.208 563 W CA 2.290 59.030 57.345 -1.008 0.000 1.274 563 W CB -0.665 28.231 29.460 -0.939 0.000 1.138 563 W HN 0.236 nan 8.180 nan 0.000 0.515 564 A N 0.575 123.216 122.820 -0.298 0.000 1.877 564 A HA -0.245 4.074 4.320 -0.001 0.000 0.216 564 A C 1.844 179.236 177.584 -0.320 0.000 1.186 564 A CA 1.924 53.821 52.037 -0.235 0.000 0.620 564 A CB -0.960 17.962 19.000 -0.131 0.000 0.822 564 A HN 0.426 nan 8.150 nan 0.000 0.443 565 E N -2.002 117.995 120.200 -0.338 0.000 2.072 565 E HA 0.080 4.429 4.350 -0.001 0.000 0.191 565 E C 1.445 177.773 176.600 -0.452 0.000 0.985 565 E CA 0.693 56.911 56.400 -0.303 0.000 0.801 565 E CB -0.201 29.375 29.700 -0.207 0.000 0.750 565 E HN 0.808 nan 8.360 nan 0.000 0.452 566 G N 1.122 109.466 108.800 -0.761 0.000 2.176 566 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.232 566 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.232 566 G C 0.104 174.537 174.900 -0.779 0.000 0.986 566 G CA 0.263 44.812 45.100 -0.918 0.000 0.643 566 G HN 0.312 nan 8.290 nan 0.000 0.522 567 I N -0.453 119.790 120.570 -0.545 0.000 2.897 567 I HA 0.521 4.691 4.170 -0.001 0.000 0.299 567 I C -1.363 174.822 176.117 0.114 0.000 1.527 567 I CA -1.171 60.043 61.300 -0.143 0.000 0.979 567 I CB 2.128 39.989 38.000 -0.231 0.000 1.360 567 I HN 0.225 nan 8.210 nan 0.000 0.495 568 V N 3.127 123.139 119.914 0.165 0.000 2.638 568 V HA 0.606 4.725 4.120 -0.001 0.000 0.306 568 V C -0.808 175.098 176.094 -0.313 0.000 1.052 568 V CA -0.652 61.668 62.300 0.034 0.000 0.885 568 V CB 1.643 33.460 31.823 -0.010 0.000 0.999 568 V HN 0.697 nan 8.190 nan 0.000 0.424 569 E N 2.857 122.894 120.200 -0.271 0.000 2.227 569 E HA 0.740 5.089 4.350 -0.001 0.000 0.268 569 E C -1.687 174.740 176.600 -0.288 0.000 0.907 569 E CA -0.566 55.636 56.400 -0.330 0.000 0.786 569 E CB 2.470 32.147 29.700 -0.038 0.000 1.191 569 E HN 0.567 nan 8.360 nan 0.000 0.411 570 F N 1.631 121.637 119.950 0.094 0.000 2.507 570 F HA 0.443 4.970 4.527 -0.001 0.000 0.327 570 F C -1.965 173.876 175.800 0.069 0.000 1.068 570 F CA -2.766 55.276 58.000 0.070 0.000 0.965 570 F CB 0.508 39.539 39.000 0.052 0.000 1.192 570 F HN 0.223 nan 8.300 nan 0.000 0.476 571 P HA 0.256 nan 4.420 nan 0.000 0.282 571 P C -0.913 176.472 177.300 0.141 0.000 1.249 571 P CA -0.255 62.941 63.100 0.161 0.000 0.806 571 P CB 1.759 33.534 31.700 0.125 0.000 0.984 572 V N 3.260 123.245 119.914 0.118 0.000 2.461 572 V HA 0.118 4.237 4.120 -0.001 0.000 0.275 572 V C 1.711 177.854 176.094 0.082 0.000 1.047 572 V CA 0.399 62.761 62.300 0.103 0.000 0.955 572 V CB 0.573 32.460 31.823 0.106 0.000 0.988 572 V HN 0.834 nan 8.190 nan 0.000 0.471 573 T N 1.217 115.813 114.554 0.070 0.000 3.523 573 T HA 0.042 4.391 4.350 -0.001 0.000 0.216 573 T C 0.936 175.674 174.700 0.063 0.000 0.922 573 T CA 0.707 62.842 62.100 0.058 0.000 1.558 573 T CB -0.148 68.746 68.868 0.044 0.000 1.424 573 T HN 0.634 nan 8.240 nan 0.000 0.452 574 D N 0.785 121.222 120.400 0.062 0.000 2.402 574 D HA 0.272 4.912 4.640 -0.001 0.000 0.216 574 D C 1.863 178.221 176.300 0.097 0.000 1.128 574 D CA 0.096 54.141 54.000 0.075 0.000 0.833 574 D CB -0.632 40.210 40.800 0.070 0.000 0.971 574 D HN 0.576 nan 8.370 nan 0.000 0.503 575 G N 0.784 109.639 108.800 0.091 0.000 2.448 575 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.219 575 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.219 575 G C 1.504 176.492 174.900 0.147 0.000 1.127 575 G CA 0.678 45.841 45.100 0.105 0.000 0.766 575 G HN 0.448 nan 8.290 nan 0.000 0.552 576 A N 0.282 123.183 122.820 0.135 0.000 2.206 576 A HA 0.138 4.457 4.320 -0.001 0.000 0.211 576 A C 1.694 179.361 177.584 0.139 0.000 1.158 576 A CA 1.368 53.492 52.037 0.145 0.000 0.761 576 A CB -0.016 19.061 19.000 0.128 0.000 0.801 576 A HN 0.209 nan 8.150 nan 0.000 0.473 577 D N -1.559 118.922 120.400 0.135 0.000 2.350 577 D HA 0.117 4.756 4.640 -0.001 0.000 0.213 577 D C 0.060 176.428 176.300 0.113 0.000 1.031 577 D CA -0.177 53.886 54.000 0.105 0.000 0.861 577 D CB -0.142 40.713 40.800 0.091 0.000 0.926 577 D HN 0.386 nan 8.370 nan 0.000 0.520 578 F N 1.825 121.788 119.950 0.022 0.000 2.602 578 F HA 0.086 4.613 4.527 -0.001 0.000 0.385 578 F C -0.137 175.655 175.800 -0.012 0.000 1.063 578 F CA -0.099 57.901 58.000 0.000 0.000 1.233 578 F CB 0.475 39.468 39.000 -0.011 0.000 1.067 578 F HN -0.360 nan 8.300 nan 0.000 0.564 579 V N 7.897 127.223 119.914 -0.980 0.000 2.407 579 V HA 0.340 4.460 4.120 -0.001 0.000 0.291 579 V C 0.133 175.556 176.094 -1.118 0.000 1.018 579 V CA -1.014 60.827 62.300 -0.764 0.000 0.842 579 V CB 1.360 32.974 31.823 -0.347 0.000 0.996 579 V HN 0.718 nan 8.190 nan 0.000 0.426 580 R N 3.075 123.053 120.500 -0.869 0.000 2.590 580 R HA 0.190 4.529 4.340 -0.001 0.000 0.274 580 R C 0.128 176.279 176.300 -0.247 0.000 1.061 580 R CA 0.361 56.127 56.100 -0.556 0.000 1.081 580 R CB 0.067 30.220 30.300 -0.245 0.000 0.984 580 R HN 0.707 nan 8.270 nan 0.000 0.448 581 Y N 0.149 120.387 120.300 -0.103 0.000 4.916 581 Y HA -0.365 4.184 4.550 -0.001 0.000 0.247 581 Y C 1.327 177.265 175.900 0.065 0.000 0.962 581 Y CA 0.941 59.069 58.100 0.045 0.000 1.933 581 Y CB -2.057 36.458 38.460 0.092 0.000 1.451 581 Y HN 0.783 nan 8.280 nan 0.000 0.539 582 A N -0.091 122.737 122.820 0.013 0.000 1.933 582 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 582 A C 2.337 179.969 177.584 0.080 0.000 1.175 582 A CA 2.270 54.314 52.037 0.012 0.000 0.628 582 A CB -0.819 18.133 19.000 -0.081 0.000 0.814 582 A HN 0.726 nan 8.150 nan 0.000 0.444 583 S N -1.435 114.326 115.700 0.101 0.000 2.406 583 S HA -0.125 4.345 4.470 -0.001 0.000 0.228 583 S C 1.806 176.535 174.600 0.215 0.000 1.020 583 S CA 1.365 59.643 58.200 0.130 0.000 0.965 583 S CB -0.551 62.713 63.200 0.107 0.000 0.798 583 S HN 0.576 nan 8.310 nan 0.000 0.488 584 F N 2.551 122.589 119.950 0.146 0.000 2.163 584 F HA 0.235 4.761 4.527 -0.001 0.000 0.297 584 F C 2.488 178.463 175.800 0.292 0.000 1.094 584 F CA 1.314 59.449 58.000 0.225 0.000 1.290 584 F CB -0.572 38.625 39.000 0.328 0.000 1.017 584 F HN 0.140 nan 8.300 nan 0.000 0.483 585 R N 0.699 121.256 120.500 0.095 0.000 2.083 585 R HA -0.228 4.111 4.340 -0.001 0.000 0.237 585 R C 2.442 178.782 176.300 0.067 0.000 1.137 585 R CA 1.978 58.043 56.100 -0.058 0.000 0.951 585 R CB -0.691 29.588 30.300 -0.034 0.000 0.851 585 R HN 0.571 nan 8.270 nan 0.000 0.434 586 E N -0.432 119.806 120.200 0.064 0.000 2.204 586 E HA -0.191 4.158 4.350 -0.001 0.000 0.195 586 E C -0.451 176.176 176.600 0.046 0.000 0.990 586 E CA 1.132 57.565 56.400 0.055 0.000 0.821 586 E CB 0.211 29.938 29.700 0.046 0.000 0.750 586 E HN 0.161 nan 8.360 nan 0.000 0.477 587 D N -0.906 119.515 120.400 0.036 0.000 2.349 587 D HA 0.060 4.700 4.640 -0.001 0.000 0.224 587 D C -2.329 173.964 176.300 -0.012 0.000 1.323 587 D CA -1.080 52.918 54.000 -0.003 0.000 0.917 587 D CB 1.472 42.280 40.800 0.012 0.000 1.524 587 D HN -0.082 nan 8.370 nan 0.000 0.505 588 P HA 0.005 nan 4.420 nan 0.000 0.225 588 P C 1.721 179.031 177.300 0.016 0.000 1.156 588 P CA 0.222 63.255 63.100 -0.111 0.000 0.787 588 P CB 0.751 32.161 31.700 -0.482 0.000 0.802 589 L N -1.354 119.849 121.223 -0.035 0.000 2.131 589 L HA -0.044 4.295 4.340 -0.001 0.000 0.206 589 L C 2.492 179.380 176.870 0.029 0.000 1.087 589 L CA 0.644 55.481 54.840 -0.004 0.000 0.767 589 L CB -0.768 41.272 42.059 -0.032 0.000 0.917 589 L HN -0.022 nan 8.230 nan 0.000 0.441 590 L N -0.290 120.952 121.223 0.031 0.000 2.131 590 L HA 0.030 4.369 4.340 -0.001 0.000 0.206 590 L C 0.763 177.677 176.870 0.074 0.000 1.087 590 L CA 1.531 56.396 54.840 0.043 0.000 0.767 590 L CB -0.085 41.996 42.059 0.036 0.000 0.917 590 L HN 0.238 nan 8.230 nan 0.000 0.441 591 N N 0.903 119.673 118.700 0.117 0.000 2.886 591 N HA 0.306 5.045 4.740 -0.001 0.000 0.285 591 N C -2.625 173.052 175.510 0.278 0.000 1.706 591 N CA -1.124 52.027 53.050 0.169 0.000 0.904 591 N CB 0.549 39.149 38.487 0.189 0.000 1.224 591 N HN 0.239 nan 8.380 nan 0.000 0.488 592 P HA 0.161 nan 4.420 nan 0.000 0.274 592 P C 0.401 177.787 177.300 0.144 0.000 1.237 592 P CA -0.302 62.948 63.100 0.249 0.000 0.793 592 P CB 1.545 33.329 31.700 0.140 0.000 0.977 593 L N 0.407 121.649 121.223 0.033 0.000 2.475 593 L HA 0.288 4.627 4.340 -0.001 0.000 0.253 593 L C 2.094 178.948 176.870 -0.027 0.000 1.198 593 L CA -0.210 54.576 54.840 -0.089 0.000 0.814 593 L CB -0.200 41.708 42.059 -0.251 0.000 1.134 593 L HN 0.499 nan 8.230 nan 0.000 0.478 594 G N -0.513 108.264 108.800 -0.038 0.000 3.210 594 G HA2 0.025 3.984 3.960 -0.001 0.000 0.220 594 G HA3 0.025 3.984 3.960 -0.001 0.000 0.220 594 G C 0.601 175.474 174.900 -0.044 0.000 1.200 594 G CA 0.058 45.136 45.100 -0.037 0.000 0.834 594 G HN 0.668 nan 8.290 nan 0.000 0.524 595 T N -2.608 111.925 114.554 -0.035 0.000 2.816 595 T HA 0.379 4.729 4.350 -0.001 0.000 0.282 595 T C -1.309 173.389 174.700 -0.003 0.000 0.993 595 T CA -1.433 60.652 62.100 -0.025 0.000 0.994 595 T CB 1.877 70.739 68.868 -0.009 0.000 1.025 595 T HN -0.169 nan 8.240 nan 0.000 0.529 596 P HA -0.100 nan 4.420 nan 0.000 0.216 596 P C 1.733 179.049 177.300 0.027 0.000 1.153 596 P CA 1.528 64.638 63.100 0.015 0.000 0.858 596 P CB -0.265 31.449 31.700 0.023 0.000 0.789 597 T N -5.635 108.944 114.554 0.042 0.000 3.067 597 T HA 0.227 4.576 4.350 -0.001 0.000 0.261 597 T C 1.678 176.413 174.700 0.058 0.000 1.110 597 T CA 0.745 62.877 62.100 0.052 0.000 1.113 597 T CB -0.842 68.069 68.868 0.070 0.000 0.917 597 T HN 0.249 nan 8.240 nan 0.000 0.499 598 G N 0.961 109.795 108.800 0.055 0.000 2.176 598 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.253 598 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.253 598 G C -0.074 174.907 174.900 0.134 0.000 0.979 598 G CA 0.343 45.490 45.100 0.080 0.000 0.641 598 G HN 0.616 nan 8.290 nan 0.000 0.530 599 L N -0.118 121.178 121.223 0.122 0.000 2.271 599 L HA 0.658 4.997 4.340 -0.001 0.000 0.265 599 L C 0.880 177.813 176.870 0.105 0.000 1.013 599 L CA -1.592 53.362 54.840 0.190 0.000 0.820 599 L CB 1.382 43.544 42.059 0.171 0.000 1.352 599 L HN -0.026 nan 8.230 nan 0.000 0.443 600 I N 1.059 121.726 120.570 0.161 0.000 2.517 600 I HA 0.015 4.184 4.170 -0.001 0.000 0.285 600 I C 0.118 176.325 176.117 0.150 0.000 1.106 600 I CA 0.268 61.637 61.300 0.115 0.000 1.402 600 I CB 0.178 38.280 38.000 0.169 0.000 1.399 600 I HN 0.480 nan 8.210 nan 0.000 0.535 601 E N 6.817 127.095 120.200 0.130 0.000 1.993 601 E HA 0.203 4.552 4.350 -0.001 0.000 0.271 601 E C 0.686 177.478 176.600 0.321 0.000 1.008 601 E CA -0.173 56.341 56.400 0.190 0.000 0.814 601 E CB 1.118 30.897 29.700 0.133 0.000 1.098 601 E HN 0.622 nan 8.360 nan 0.000 0.407 602 I N 2.237 123.000 120.570 0.321 0.000 2.617 602 I HA -0.127 4.043 4.170 -0.001 0.000 0.256 602 I C 0.421 176.733 176.117 0.324 0.000 1.167 602 I CA 0.716 62.192 61.300 0.294 0.000 1.469 602 I CB 0.248 38.331 38.000 0.139 0.000 1.098 602 I HN 0.434 nan 8.210 nan 0.000 0.436 603 Y N 0.368 120.817 120.300 0.248 0.000 2.341 603 Y HA 0.439 4.988 4.550 -0.001 0.000 0.338 603 Y C -0.119 175.932 175.900 0.252 0.000 0.965 603 Y CA -0.972 57.276 58.100 0.247 0.000 1.108 603 Y CB 1.604 40.164 38.460 0.168 0.000 1.180 603 Y HN -0.231 nan 8.280 nan 0.000 0.458 604 S N 6.136 121.791 115.700 -0.075 0.000 2.594 604 S HA 0.319 4.788 4.470 -0.001 0.000 0.322 604 S C 0.386 174.932 174.600 -0.089 0.000 1.085 604 S CA -0.720 57.477 58.200 -0.006 0.000 1.116 604 S CB 0.666 63.820 63.200 -0.076 0.000 0.979 604 S HN 0.929 nan 8.310 nan 0.000 0.465 605 K N 3.719 124.191 120.400 0.121 0.000 2.147 605 K HA -0.125 4.195 4.320 -0.001 0.000 0.205 605 K C 1.570 178.166 176.600 -0.006 0.000 1.049 605 K CA 1.546 57.909 56.287 0.126 0.000 0.936 605 K CB -0.192 32.398 32.500 0.149 0.000 0.722 605 K HN 0.670 nan 8.250 nan 0.000 0.446 606 N N 0.708 119.384 118.700 -0.041 0.000 2.166 606 N HA -0.096 4.643 4.740 -0.001 0.000 0.186 606 N C 1.794 177.177 175.510 -0.212 0.000 1.019 606 N CA 0.734 53.729 53.050 -0.091 0.000 0.856 606 N CB -0.012 38.458 38.487 -0.028 0.000 0.993 606 N HN 0.108 nan 8.380 nan 0.000 0.426 607 I N 0.806 121.202 120.570 -0.290 0.000 2.500 607 I HA -0.166 4.003 4.170 -0.001 0.000 0.252 607 I C 2.463 178.415 176.117 -0.276 0.000 1.142 607 I CA 0.700 61.786 61.300 -0.357 0.000 1.451 607 I CB -0.137 37.638 38.000 -0.375 0.000 1.093 607 I HN 0.221 nan 8.210 nan 0.000 0.430 608 E N 1.831 121.902 120.200 -0.215 0.000 2.085 608 E HA -0.287 4.062 4.350 -0.001 0.000 0.194 608 E C 1.987 178.509 176.600 -0.131 0.000 0.994 608 E CA 1.524 57.839 56.400 -0.142 0.000 0.801 608 E CB 0.088 29.784 29.700 -0.008 0.000 0.743 608 E HN 0.395 nan 8.360 nan 0.000 0.453 609 K N -0.285 120.034 120.400 -0.135 0.000 2.283 609 K HA -0.073 4.246 4.320 -0.001 0.000 0.202 609 K C 2.100 178.567 176.600 -0.220 0.000 1.048 609 K CA 1.289 57.494 56.287 -0.136 0.000 0.948 609 K CB -0.024 32.413 32.500 -0.105 0.000 0.742 609 K HN 0.245 nan 8.250 nan 0.000 0.458 610 M N -0.573 118.812 119.600 -0.360 0.000 2.254 610 M HA 0.008 4.487 4.480 -0.001 0.000 0.265 610 M C 0.983 176.951 176.300 -0.554 0.000 1.066 610 M CA 1.124 56.047 55.300 -0.629 0.000 1.123 610 M CB -0.046 31.868 32.600 -1.143 0.000 1.388 610 M HN 0.338 nan 8.290 nan 0.000 0.425 611 G N 0.898 109.497 108.800 -0.334 0.000 2.314 611 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.292 611 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.292 611 G C -0.816 174.090 174.900 0.010 0.000 1.059 611 G CA -0.321 44.699 45.100 -0.133 0.000 0.982 611 G HN 0.368 nan 8.290 nan 0.000 0.505 612 Y N 0.567 120.837 120.300 -0.050 0.000 2.404 612 Y HA 0.317 4.866 4.550 -0.001 0.000 0.344 612 Y C 1.396 177.275 175.900 -0.035 0.000 0.970 612 Y CA -1.664 56.417 58.100 -0.032 0.000 1.180 612 Y CB 1.086 39.527 38.460 -0.031 0.000 1.138 612 Y HN 0.182 nan 8.280 nan 0.000 0.510 613 D N 1.141 121.620 120.400 0.131 0.000 2.182 613 D HA -0.183 4.457 4.640 -0.001 0.000 0.201 613 D C 1.194 177.513 176.300 0.032 0.000 0.986 613 D CA 1.734 55.766 54.000 0.052 0.000 0.847 613 D CB -0.044 40.782 40.800 0.043 0.000 0.942 613 D HN 0.663 nan 8.370 nan 0.000 0.467 614 D N -1.092 119.349 120.400 0.069 0.000 2.339 614 D HA -0.022 4.617 4.640 -0.001 0.000 0.217 614 D C -0.018 176.337 176.300 0.092 0.000 1.050 614 D CA -0.235 53.817 54.000 0.087 0.000 0.856 614 D CB -0.518 40.361 40.800 0.131 0.000 0.922 614 D HN 0.051 nan 8.370 nan 0.000 0.518 615 C N 1.484 120.840 119.300 0.094 0.000 3.452 615 C HA 0.418 4.877 4.460 -0.001 0.000 0.251 615 C C -2.619 172.399 174.990 0.047 0.000 1.160 615 C CA -1.637 57.443 59.018 0.103 0.000 1.328 615 C CB -0.597 27.241 27.740 0.164 0.000 1.819 615 C HN 0.041 nan 8.230 nan 0.000 0.543 616 P HA 0.162 nan 4.420 nan 0.000 0.272 616 P C 0.395 177.584 177.300 -0.185 0.000 1.248 616 P CA 0.331 63.309 63.100 -0.204 0.000 0.799 616 P CB 0.694 32.152 31.700 -0.403 0.000 0.997 617 A N -0.160 122.450 122.820 -0.351 0.000 2.251 617 A HA 0.118 4.437 4.320 -0.001 0.000 0.209 617 A C 0.263 177.572 177.584 -0.459 0.000 1.187 617 A CA 0.763 52.558 52.037 -0.404 0.000 0.823 617 A CB -1.224 17.303 19.000 -0.789 0.000 0.846 617 A HN 0.790 nan 8.150 nan 0.000 0.486 618 H N -4.219 114.515 119.070 -0.559 0.000 3.016 618 H HA 0.632 5.188 4.556 -0.001 0.000 0.362 618 H C -3.598 171.004 175.328 -1.210 0.000 1.233 618 H CA -3.026 52.518 56.048 -0.841 0.000 1.124 618 H CB 0.012 29.644 29.762 -0.217 0.000 1.850 618 H HN -0.181 nan 8.280 nan 0.000 0.549 619 P HA 0.128 nan 4.420 nan 0.000 0.262 619 P C -0.658 176.512 177.300 -0.216 0.000 1.182 619 P CA 0.390 63.001 63.100 -0.815 0.000 0.761 619 P CB 0.435 31.712 31.700 -0.705 0.000 0.795 620 T N 3.374 117.802 114.554 -0.211 0.000 2.933 620 T HA 0.231 4.580 4.350 -0.001 0.000 0.305 620 T C -1.318 173.410 174.700 0.046 0.000 1.092 620 T CA -0.554 61.445 62.100 -0.168 0.000 1.008 620 T CB 1.107 69.714 68.868 -0.436 0.000 1.102 620 T HN 0.422 nan 8.240 nan 0.000 0.469 621 W N 6.186 127.577 121.300 0.151 0.000 2.388 621 W HA 0.562 5.221 4.660 -0.001 0.000 0.308 621 W C -1.540 175.015 176.519 0.060 0.000 1.263 621 W CA -0.503 56.955 57.345 0.189 0.000 1.286 621 W CB 0.184 29.912 29.460 0.446 0.000 1.294 621 W HN 0.551 nan 8.180 nan 0.000 0.493 622 M N 4.632 123.599 119.600 -1.055 0.000 2.535 622 M HA 0.171 4.651 4.480 -0.001 0.000 0.314 622 M C 0.030 175.620 176.300 -1.184 0.000 1.153 622 M CA -0.826 53.878 55.300 -0.993 0.000 0.924 622 M CB 2.282 34.211 32.600 -1.118 0.000 1.710 622 M HN 0.229 nan 8.290 nan 0.000 0.451 623 E N 3.832 123.678 120.200 -0.591 0.000 2.344 623 E HA 0.248 4.597 4.350 -0.001 0.000 0.270 623 E C -2.261 174.312 176.600 -0.046 0.000 1.021 623 E CA -1.244 54.995 56.400 -0.270 0.000 0.887 623 E CB 0.325 30.023 29.700 -0.003 0.000 0.997 623 E HN 0.312 nan 8.360 nan 0.000 0.429 624 P HA 0.030 nan 4.420 nan 0.000 0.276 624 P C 1.027 178.511 177.300 0.306 0.000 1.261 624 P CA -0.560 62.703 63.100 0.272 0.000 0.800 624 P CB 0.937 32.761 31.700 0.208 0.000 1.066 625 L N -0.202 121.241 121.223 0.367 0.000 2.010 625 L HA -0.157 4.182 4.340 -0.001 0.000 0.219 625 L C 0.883 177.813 176.870 0.100 0.000 1.077 625 L CA 2.060 56.959 54.840 0.099 0.000 0.773 625 L CB -0.812 41.184 42.059 -0.104 0.000 0.892 625 L HN 0.643 nan 8.230 nan 0.000 0.436 626 E N -0.985 119.284 120.200 0.114 0.000 2.366 626 E HA 0.538 4.887 4.350 -0.001 0.000 0.278 626 E C -1.020 175.676 176.600 0.161 0.000 0.923 626 E CA -1.013 55.460 56.400 0.123 0.000 0.761 626 E CB 1.718 31.480 29.700 0.103 0.000 1.231 626 E HN 0.401 nan 8.360 nan 0.000 0.443 627 R N 1.145 121.747 120.500 0.170 0.000 2.680 627 R HA 0.445 4.784 4.340 -0.001 0.000 0.269 627 R C -1.322 175.079 176.300 0.169 0.000 1.026 627 R CA -1.128 55.093 56.100 0.202 0.000 0.889 627 R CB 0.948 31.378 30.300 0.216 0.000 1.241 627 R HN 0.482 nan 8.270 nan 0.000 0.463 628 L N 3.155 124.482 121.223 0.174 0.000 2.584 628 L HA 0.086 4.425 4.340 -0.001 0.000 0.272 628 L C -0.325 176.592 176.870 0.078 0.000 1.195 628 L CA 1.360 56.275 54.840 0.124 0.000 0.920 628 L CB -0.384 41.742 42.059 0.111 0.000 1.173 628 L HN 0.845 nan 8.230 nan 0.000 0.489 629 D N 2.134 122.572 120.400 0.063 0.000 3.059 629 D HA -0.170 4.469 4.640 -0.001 0.000 0.220 629 D C 0.597 176.927 176.300 0.049 0.000 1.169 629 D CA 1.192 55.215 54.000 0.038 0.000 0.902 629 D CB -1.496 39.310 40.800 0.010 0.000 1.116 629 D HN 0.901 nan 8.370 nan 0.000 0.417 630 G N 0.866 109.713 108.800 0.078 0.000 2.544 630 G HA2 0.381 4.340 3.960 -0.001 0.000 0.242 630 G HA3 0.381 4.340 3.960 -0.001 0.000 0.242 630 G C -2.095 172.847 174.900 0.070 0.000 1.247 630 G CA -0.744 44.413 45.100 0.095 0.000 0.840 630 G HN -0.025 nan 8.290 nan 0.000 0.578 631 P HA 0.161 nan 4.420 nan 0.000 0.265 631 P C 0.866 178.196 177.300 0.051 0.000 1.222 631 P CA 1.052 64.185 63.100 0.055 0.000 0.767 631 P CB 0.804 32.542 31.700 0.063 0.000 0.801 632 G N 2.573 111.393 108.800 0.034 0.000 2.162 632 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.260 632 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.260 632 G C 0.437 175.351 174.900 0.023 0.000 0.976 632 G CA 0.020 45.135 45.100 0.024 0.000 0.655 632 G HN 0.879 nan 8.290 nan 0.000 0.533 633 A N -0.070 122.771 122.820 0.036 0.000 2.511 633 A HA 0.574 4.893 4.320 -0.001 0.000 0.242 633 A C 1.355 178.937 177.584 -0.003 0.000 1.069 633 A CA 1.497 53.561 52.037 0.044 0.000 0.763 633 A CB 0.378 19.420 19.000 0.071 0.000 1.001 633 A HN 0.608 nan 8.150 nan 0.000 0.498 634 K N 1.502 121.885 120.400 -0.028 0.000 2.021 634 K HA -0.031 4.289 4.320 -0.001 0.000 0.205 634 K C -0.480 175.930 176.600 -0.317 0.000 1.047 634 K CA 0.937 57.103 56.287 -0.203 0.000 0.943 634 K CB -0.157 32.169 32.500 -0.290 0.000 0.725 634 K HN 0.715 nan 8.250 nan 0.000 0.439 635 Y N 0.540 120.836 120.300 -0.006 0.000 2.320 635 Y HA 0.174 4.724 4.550 -0.001 0.000 0.324 635 Y C -1.551 174.344 175.900 -0.008 0.000 1.190 635 Y CA -2.320 55.765 58.100 -0.026 0.000 1.215 635 Y CB 1.221 39.646 38.460 -0.058 0.000 1.221 635 Y HN 0.148 nan 8.280 nan 0.000 0.486 636 P HA 0.061 nan 4.420 nan 0.000 0.234 636 P C -0.487 176.864 177.300 0.085 0.000 1.175 636 P CA 0.916 64.067 63.100 0.084 0.000 0.801 636 P CB 1.070 32.807 31.700 0.061 0.000 0.891 637 L N -0.102 121.173 121.223 0.087 0.000 2.346 637 L HA 0.448 4.788 4.340 -0.001 0.000 0.276 637 L C 0.202 177.118 176.870 0.077 0.000 1.006 637 L CA -1.186 53.700 54.840 0.076 0.000 0.817 637 L CB 1.641 43.728 42.059 0.048 0.000 1.272 637 L HN -0.094 nan 8.230 nan 0.000 0.421 638 H N 3.151 122.245 119.070 0.041 0.000 2.646 638 H HA 0.436 4.991 4.556 -0.001 0.000 0.325 638 H C -0.653 174.700 175.328 0.040 0.000 1.075 638 H CA -0.143 55.934 56.048 0.048 0.000 1.421 638 H CB 0.837 30.636 29.762 0.062 0.000 1.461 638 H HN 0.415 nan 8.280 nan 0.000 0.525 639 I N 4.785 125.068 120.570 -0.479 0.000 2.297 639 I HA 0.226 4.396 4.170 -0.001 0.000 0.291 639 I C 0.132 176.206 176.117 -0.072 0.000 1.033 639 I CA -0.788 60.402 61.300 -0.184 0.000 1.253 639 I CB 1.230 39.138 38.000 -0.154 0.000 1.396 639 I HN 0.728 nan 8.210 nan 0.000 0.476 640 A N 6.072 128.994 122.820 0.170 0.000 2.797 640 A HA 0.461 4.781 4.320 -0.001 0.000 0.296 640 A C 0.912 178.608 177.584 0.187 0.000 1.580 640 A CA -0.306 51.885 52.037 0.257 0.000 1.277 640 A CB -0.339 18.801 19.000 0.233 0.000 1.101 640 A HN 0.839 nan 8.150 nan 0.000 0.562 641 A N 3.111 126.038 122.820 0.178 0.000 3.118 641 A HA 0.484 4.803 4.320 -0.001 0.000 0.256 641 A C 1.088 178.844 177.584 0.287 0.000 1.667 641 A CA 0.263 52.408 52.037 0.180 0.000 1.338 641 A CB -0.989 18.077 19.000 0.110 0.000 1.127 641 A HN 1.096 nan 8.150 nan 0.000 0.634 642 S N -0.027 115.896 115.700 0.371 0.000 2.690 642 S HA 0.420 4.889 4.470 -0.001 0.000 0.285 642 S C 0.051 174.963 174.600 0.521 0.000 1.135 642 S CA -0.626 57.852 58.200 0.463 0.000 1.020 642 S CB 0.164 63.611 63.200 0.413 0.000 1.159 642 S HN 0.608 nan 8.310 nan 0.000 0.534 643 H N 2.169 121.347 119.070 0.181 0.000 2.610 643 H HA 0.300 4.855 4.556 -0.001 0.000 0.336 643 H C -2.163 172.918 175.328 -0.411 0.000 1.087 643 H CA -1.710 54.331 56.048 -0.012 0.000 1.405 643 H CB 0.698 30.451 29.762 -0.015 0.000 1.460 643 H HN 0.498 nan 8.280 nan 0.000 0.538 644 P HA -0.106 nan 4.420 nan 0.000 0.268 644 P C 0.263 177.183 177.300 -0.634 0.000 1.205 644 P CA 0.196 62.736 63.100 -0.934 0.000 0.771 644 P CB 0.783 32.263 31.700 -0.366 0.000 0.858 645 F N 2.995 122.494 119.950 -0.752 0.000 2.163 645 F HA -0.022 4.504 4.527 -0.001 0.000 0.297 645 F C 1.523 177.257 175.800 -0.111 0.000 1.094 645 F CA 1.448 59.297 58.000 -0.253 0.000 1.290 645 F CB 0.114 39.081 39.000 -0.056 0.000 1.017 645 F HN 0.265 nan 8.300 nan 0.000 0.483 646 N N 0.572 119.333 118.700 0.101 0.000 2.389 646 N HA 0.199 4.939 4.740 -0.001 0.000 0.260 646 N C -0.633 174.949 175.510 0.120 0.000 1.191 646 N CA 0.117 53.262 53.050 0.158 0.000 0.885 646 N CB 0.607 39.248 38.487 0.256 0.000 1.162 646 N HN 0.226 nan 8.380 nan 0.000 0.512 647 R N 0.050 120.585 120.500 0.059 0.000 2.764 647 R HA 0.365 4.704 4.340 -0.001 0.000 0.270 647 R C -1.404 174.950 176.300 0.090 0.000 1.014 647 R CA -0.888 55.292 56.100 0.133 0.000 0.904 647 R CB 1.651 32.002 30.300 0.085 0.000 1.236 647 R HN -0.073 nan 8.270 nan 0.000 0.466 648 L N 3.227 124.554 121.223 0.172 0.000 2.287 648 L HA 0.316 4.656 4.340 -0.001 0.000 0.280 648 L C 0.241 177.006 176.870 -0.175 0.000 1.055 648 L CA 0.448 55.181 54.840 -0.178 0.000 0.863 648 L CB -0.667 41.263 42.059 -0.215 0.000 1.245 648 L HN 0.673 nan 8.230 nan 0.000 0.432 649 H N 1.645 120.655 119.070 -0.100 0.000 1.452 649 H HA -0.297 4.258 4.556 -0.001 0.000 0.090 649 H C 1.460 176.860 175.328 0.122 0.000 0.629 649 H CA 1.834 57.849 56.048 -0.054 0.000 1.901 649 H CB -1.643 28.089 29.762 -0.051 0.000 2.257 649 H HN 0.665 nan 8.280 nan 0.000 0.961 650 S N 2.850 118.793 115.700 0.406 0.000 2.501 650 S HA 0.033 4.502 4.470 -0.001 0.000 0.220 650 S C 0.626 175.552 174.600 0.543 0.000 0.997 650 S CA 0.396 58.904 58.200 0.515 0.000 0.919 650 S CB 0.117 63.675 63.200 0.597 0.000 0.778 650 S HN 0.425 nan 8.310 nan 0.000 0.523 651 Q N 1.185 121.257 119.800 0.455 0.000 2.286 651 Q HA 0.273 4.612 4.340 -0.001 0.000 0.290 651 Q C 0.269 176.489 176.000 0.366 0.000 1.049 651 Q CA 0.732 56.820 55.803 0.474 0.000 0.923 651 Q CB 0.201 29.285 28.738 0.577 0.000 1.183 651 Q HN 0.546 nan 8.270 nan 0.000 0.383 652 L N 0.337 121.726 121.223 0.277 0.000 4.800 652 L HA -0.310 4.029 4.340 -0.001 0.000 0.412 652 L C 1.171 178.005 176.870 -0.061 0.000 1.063 652 L CA 0.115 55.013 54.840 0.097 0.000 1.114 652 L CB -1.506 40.591 42.059 0.063 0.000 2.089 652 L HN 0.624 nan 8.230 nan 0.000 0.686 653 N N 1.744 120.310 118.700 -0.223 0.000 2.188 653 N HA -0.047 4.692 4.740 -0.001 0.000 0.184 653 N C 1.441 176.478 175.510 -0.787 0.000 1.018 653 N CA 1.804 54.522 53.050 -0.554 0.000 0.858 653 N CB -0.004 37.913 38.487 -0.950 0.000 0.989 653 N HN 0.499 nan 8.380 nan 0.000 0.426 654 G N 0.016 108.311 108.800 -0.842 0.000 3.741 654 G HA2 0.255 4.215 3.960 -0.001 0.000 0.263 654 G HA3 0.255 4.215 3.960 -0.001 0.000 0.263 654 G C -0.190 174.600 174.900 -0.184 0.000 1.175 654 G CA 0.136 44.970 45.100 -0.443 0.000 1.642 654 G HN 0.405 nan 8.290 nan 0.000 0.644 655 T N -3.843 110.563 114.554 -0.246 0.000 2.831 655 T HA 0.386 4.735 4.350 -0.001 0.000 0.287 655 T C 1.482 176.049 174.700 -0.222 0.000 1.070 655 T CA 0.095 62.099 62.100 -0.161 0.000 1.010 655 T CB 1.365 70.162 68.868 -0.119 0.000 1.264 655 T HN 0.344 nan 8.240 nan 0.000 0.532 656 V N 0.169 119.979 119.914 -0.174 0.000 2.568 656 V HA -0.078 4.041 4.120 -0.001 0.000 0.253 656 V C 2.478 178.447 176.094 -0.207 0.000 1.072 656 V CA 1.400 63.592 62.300 -0.181 0.000 1.084 656 V CB -1.700 30.038 31.823 -0.143 0.000 0.676 656 V HN 0.792 nan 8.190 nan 0.000 0.469 657 L N -0.212 120.901 121.223 -0.183 0.000 2.127 657 L HA -0.199 4.140 4.340 -0.001 0.000 0.211 657 L C 2.960 179.615 176.870 -0.357 0.000 1.089 657 L CA 2.220 56.967 54.840 -0.155 0.000 0.757 657 L CB -0.751 41.294 42.059 -0.022 0.000 0.899 657 L HN 0.311 nan 8.230 nan 0.000 0.434 658 R N 0.546 120.740 120.500 -0.509 0.000 2.103 658 R HA -0.255 4.084 4.340 -0.001 0.000 0.242 658 R C 2.136 177.938 176.300 -0.829 0.000 1.142 658 R CA 1.871 57.428 56.100 -0.905 0.000 0.960 658 R CB -0.086 29.767 30.300 -0.745 0.000 0.858 658 R HN 0.203 nan 8.270 nan 0.000 0.439 659 E N -0.802 119.107 120.200 -0.485 0.000 2.267 659 E HA -0.106 4.243 4.350 -0.001 0.000 0.197 659 E C 1.545 177.978 176.600 -0.278 0.000 0.998 659 E CA 1.327 57.532 56.400 -0.326 0.000 0.830 659 E CB -0.281 29.286 29.700 -0.222 0.000 0.751 659 E HN 0.551 nan 8.360 nan 0.000 0.491 660 G N -0.972 107.648 108.800 -0.300 0.000 2.572 660 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.216 660 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.216 660 G C 1.002 175.877 174.900 -0.042 0.000 1.133 660 G CA 1.011 46.030 45.100 -0.134 0.000 0.791 660 G HN 0.483 nan 8.290 nan 0.000 0.538 661 Y N -1.894 118.407 120.300 0.001 0.000 2.448 661 Y HA 0.718 5.267 4.550 -0.001 0.000 0.257 661 Y C 1.124 177.046 175.900 0.037 0.000 1.089 661 Y CA -1.118 57.000 58.100 0.031 0.000 1.245 661 Y CB -0.446 38.062 38.460 0.079 0.000 1.282 661 Y HN 0.150 nan 8.280 nan 0.000 0.529 662 A N 1.548 124.314 122.820 -0.089 0.000 2.445 662 A HA 0.549 4.868 4.320 -0.001 0.000 0.242 662 A C -0.449 177.167 177.584 0.053 0.000 1.075 662 A CA -0.162 51.902 52.037 0.046 0.000 0.777 662 A CB 0.292 19.262 19.000 -0.050 0.000 1.013 662 A HN 0.205 nan 8.150 nan 0.000 0.493 663 V N 3.457 123.427 119.914 0.093 0.000 2.376 663 V HA 0.294 4.413 4.120 -0.001 0.000 0.287 663 V C 0.108 176.284 176.094 0.136 0.000 1.015 663 V CA -0.323 62.030 62.300 0.089 0.000 0.834 663 V CB 0.627 32.501 31.823 0.085 0.000 1.001 663 V HN 1.055 nan 8.190 nan 0.000 0.428 664 Q N 3.413 123.268 119.800 0.091 0.000 2.481 664 Q HA -0.287 4.052 4.340 -0.001 0.000 0.272 664 Q C 1.296 177.274 176.000 -0.036 0.000 1.157 664 Q CA 0.908 56.769 55.803 0.096 0.000 0.935 664 Q CB -1.421 27.440 28.738 0.205 0.000 1.338 664 Q HN 1.620 nan 8.270 nan 0.000 0.494 665 G N -0.994 107.765 108.800 -0.068 0.000 2.234 665 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.260 665 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.260 665 G C 0.086 174.938 174.900 -0.080 0.000 0.987 665 G CA 0.579 45.604 45.100 -0.126 0.000 0.625 665 G HN 0.578 nan 8.290 nan 0.000 0.532 666 H N 0.503 119.626 119.070 0.089 0.000 2.508 666 H HA 0.546 5.102 4.556 -0.001 0.000 0.344 666 H C 0.430 175.637 175.328 -0.201 0.000 1.192 666 H CA -0.269 55.719 56.048 -0.099 0.000 1.290 666 H CB 1.293 30.978 29.762 -0.128 0.000 1.571 666 H HN 0.294 nan 8.280 nan 0.000 0.555 667 E N 2.861 122.746 120.200 -0.526 0.000 2.414 667 E HA 0.067 4.417 4.350 -0.001 0.000 0.263 667 E C -2.304 174.291 176.600 -0.008 0.000 1.000 667 E CA -1.324 54.970 56.400 -0.177 0.000 0.914 667 E CB 0.299 29.820 29.700 -0.297 0.000 0.948 667 E HN 0.273 nan 8.360 nan 0.000 0.444 668 P HA 0.079 nan 4.420 nan 0.000 0.277 668 P C -0.804 176.482 177.300 -0.022 0.000 1.240 668 P CA -0.543 62.584 63.100 0.045 0.000 0.798 668 P CB 0.975 32.726 31.700 0.086 0.000 0.979 669 C N 4.740 124.023 119.300 -0.029 0.000 2.346 669 C HA 0.484 4.943 4.460 -0.001 0.000 0.326 669 C C -0.116 174.851 174.990 -0.038 0.000 1.224 669 C CA -0.785 58.205 59.018 -0.046 0.000 1.408 669 C CB -1.090 26.630 27.740 -0.034 0.000 2.089 669 C HN 0.436 nan 8.230 nan 0.000 0.456 670 L N 6.370 127.557 121.223 -0.059 0.000 2.380 670 L HA 0.484 4.823 4.340 -0.001 0.000 0.273 670 L C 0.226 177.099 176.870 0.005 0.000 1.138 670 L CA 0.378 55.200 54.840 -0.031 0.000 0.832 670 L CB 1.014 43.048 42.059 -0.041 0.000 1.124 670 L HN 0.710 nan 8.230 nan 0.000 0.454 671 M N 2.921 122.534 119.600 0.020 0.000 2.433 671 M HA 0.308 4.787 4.480 -0.001 0.000 0.290 671 M C -0.755 175.587 176.300 0.069 0.000 1.173 671 M CA -0.652 54.681 55.300 0.054 0.000 0.905 671 M CB 2.207 34.833 32.600 0.043 0.000 1.692 671 M HN 0.563 nan 8.290 nan 0.000 0.462 672 H N 5.047 124.131 119.070 0.022 0.000 2.815 672 H HA 0.175 4.730 4.556 -0.001 0.000 0.350 672 H C -2.029 173.311 175.328 0.020 0.000 1.080 672 H CA -0.313 55.749 56.048 0.023 0.000 1.433 672 H CB 1.332 31.110 29.762 0.026 0.000 1.432 672 H HN 0.458 nan 8.280 nan 0.000 0.592 673 P HA -0.166 nan 4.420 nan 0.000 0.216 673 P C 0.847 178.204 177.300 0.096 0.000 1.150 673 P CA 1.323 64.372 63.100 -0.085 0.000 0.843 673 P CB 0.379 31.975 31.700 -0.173 0.000 0.787 674 D N -0.774 119.836 120.400 0.349 0.000 2.144 674 D HA -0.130 4.510 4.640 -0.001 0.000 0.200 674 D C 1.545 177.937 176.300 0.153 0.000 0.978 674 D CA 1.056 55.200 54.000 0.240 0.000 0.833 674 D CB -0.717 40.210 40.800 0.211 0.000 0.961 674 D HN 0.194 nan 8.370 nan 0.000 0.470 675 D N 0.273 120.779 120.400 0.177 0.000 2.149 675 D HA -0.014 4.625 4.640 -0.001 0.000 0.201 675 D C 2.013 178.363 176.300 0.083 0.000 0.972 675 D CA 0.898 54.959 54.000 0.103 0.000 0.835 675 D CB -0.148 40.713 40.800 0.102 0.000 0.966 675 D HN 0.122 nan 8.370 nan 0.000 0.476 676 A N 1.441 124.311 122.820 0.083 0.000 1.858 676 A HA -0.053 4.267 4.320 -0.001 0.000 0.216 676 A C 2.358 179.971 177.584 0.048 0.000 1.190 676 A CA 2.247 54.317 52.037 0.055 0.000 0.617 676 A CB -0.827 18.196 19.000 0.038 0.000 0.827 676 A HN 0.223 nan 8.150 nan 0.000 0.443 677 A N -0.188 122.662 122.820 0.049 0.000 1.940 677 A HA 0.132 4.452 4.320 -0.001 0.000 0.219 677 A C 2.435 180.043 177.584 0.040 0.000 1.176 677 A CA 2.100 54.161 52.037 0.040 0.000 0.631 677 A CB -0.978 18.046 19.000 0.039 0.000 0.814 677 A HN 1.157 nan 8.150 nan 0.000 0.446 678 A N -0.653 122.195 122.820 0.045 0.000 2.070 678 A HA -0.089 4.231 4.320 -0.001 0.000 0.220 678 A C 2.039 179.648 177.584 0.040 0.000 1.159 678 A CA 1.403 53.464 52.037 0.040 0.000 0.656 678 A CB -0.284 18.740 19.000 0.041 0.000 0.800 678 A HN 0.545 nan 8.150 nan 0.000 0.453 679 R N -1.660 118.867 120.500 0.044 0.000 2.432 679 R HA 0.296 4.635 4.340 -0.001 0.000 0.260 679 R C 0.951 177.276 176.300 0.040 0.000 0.935 679 R CA 0.435 56.563 56.100 0.047 0.000 1.080 679 R CB 0.248 30.582 30.300 0.057 0.000 1.155 679 R HN 0.546 nan 8.270 nan 0.000 0.531 680 G N 1.842 110.663 108.800 0.035 0.000 2.221 680 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.265 680 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.265 680 G C 0.017 174.935 174.900 0.030 0.000 1.041 680 G CA 0.026 45.143 45.100 0.029 0.000 0.807 680 G HN 0.265 nan 8.290 nan 0.000 0.502 681 I N 0.703 121.293 120.570 0.033 0.000 2.359 681 I HA 0.619 4.788 4.170 -0.001 0.000 0.294 681 I C 0.716 176.849 176.117 0.027 0.000 0.987 681 I CA -0.464 60.856 61.300 0.033 0.000 1.225 681 I CB 1.743 39.766 38.000 0.038 0.000 1.366 681 I HN 0.299 nan 8.210 nan 0.000 0.466 682 A N 4.199 127.033 122.820 0.024 0.000 2.320 682 A HA 0.378 4.697 4.320 -0.001 0.000 0.334 682 A C -0.608 176.987 177.584 0.018 0.000 1.147 682 A CA -0.610 51.438 52.037 0.019 0.000 0.820 682 A CB 0.887 19.898 19.000 0.018 0.000 1.218 682 A HN 0.749 nan 8.150 nan 0.000 0.482 683 D N 0.393 120.801 120.400 0.012 0.000 2.525 683 D HA 0.356 4.995 4.640 -0.001 0.000 0.235 683 D C 1.374 177.685 176.300 0.018 0.000 1.137 683 D CA 2.180 56.186 54.000 0.011 0.000 0.868 683 D CB 0.254 41.057 40.800 0.004 0.000 1.180 683 D HN 1.346 nan 8.370 nan 0.000 0.465 684 G N 2.847 111.661 108.800 0.023 0.000 2.199 684 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.254 684 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.254 684 G C 0.128 175.053 174.900 0.042 0.000 0.982 684 G CA 0.139 45.258 45.100 0.033 0.000 0.632 684 G HN 0.643 nan 8.290 nan 0.000 0.529 685 D N 0.132 120.554 120.400 0.037 0.000 2.362 685 D HA 0.440 5.079 4.640 -0.001 0.000 0.242 685 D C 0.764 177.088 176.300 0.040 0.000 1.132 685 D CA -0.066 53.960 54.000 0.043 0.000 0.907 685 D CB 1.548 42.371 40.800 0.039 0.000 1.195 685 D HN 0.136 nan 8.370 nan 0.000 0.429 686 V N 2.376 122.319 119.914 0.049 0.000 2.432 686 V HA 0.270 4.389 4.120 -0.001 0.000 0.271 686 V C 0.395 176.496 176.094 0.010 0.000 1.046 686 V CA -0.429 61.865 62.300 -0.011 0.000 0.945 686 V CB 1.035 32.853 31.823 -0.008 0.000 0.992 686 V HN 0.356 nan 8.190 nan 0.000 0.471 687 V N 3.133 123.018 119.914 -0.049 0.000 2.864 687 V HA 0.704 4.823 4.120 -0.001 0.000 0.314 687 V C -0.320 175.753 176.094 -0.035 0.000 1.073 687 V CA -1.252 61.055 62.300 0.012 0.000 0.956 687 V CB 1.880 33.715 31.823 0.019 0.000 1.023 687 V HN 0.829 nan 8.190 nan 0.000 0.435 688 R N 2.030 122.565 120.500 0.058 0.000 2.229 688 R HA 0.721 5.060 4.340 -0.001 0.000 0.328 688 R C -1.494 174.890 176.300 0.140 0.000 1.009 688 R CA -0.429 55.697 56.100 0.042 0.000 0.864 688 R CB 1.573 31.946 30.300 0.121 0.000 1.085 688 R HN 0.770 nan 8.270 nan 0.000 0.453 689 V N 5.787 125.745 119.914 0.074 0.000 2.357 689 V HA 0.375 4.494 4.120 -0.001 0.000 0.284 689 V C -0.713 175.420 176.094 0.066 0.000 1.018 689 V CA -0.690 61.640 62.300 0.051 0.000 0.841 689 V CB 0.892 32.700 31.823 -0.025 0.000 0.991 689 V HN 1.003 nan 8.190 nan 0.000 0.437 690 H N 2.661 121.677 119.070 -0.090 0.000 3.012 690 H HA 0.874 5.430 4.556 -0.001 0.000 0.367 690 H C -0.632 174.506 175.328 -0.317 0.000 1.211 690 H CA -0.873 55.099 56.048 -0.127 0.000 1.139 690 H CB 1.911 31.652 29.762 -0.035 0.000 1.838 690 H HN 0.562 nan 8.280 nan 0.000 0.550 691 N N 0.064 118.544 118.700 -0.368 0.000 3.574 691 N HA 0.150 4.889 4.740 -0.001 0.000 0.340 691 N C -0.414 174.984 175.510 -0.188 0.000 1.650 691 N CA -0.659 51.899 53.050 -0.820 0.000 0.762 691 N CB -0.013 37.856 38.487 -1.029 0.000 2.206 691 N HN 0.559 nan 8.380 nan 0.000 0.621 692 D N -0.759 119.612 120.400 -0.047 0.000 2.347 692 D HA 0.095 4.735 4.640 -0.001 0.000 0.215 692 D C 1.121 177.434 176.300 0.023 0.000 0.976 692 D CA 0.591 54.647 54.000 0.093 0.000 0.884 692 D CB 0.253 41.141 40.800 0.147 0.000 0.915 692 D HN 0.415 nan 8.370 nan 0.000 0.526 693 R N -0.204 120.274 120.500 -0.036 0.000 2.156 693 R HA 0.328 4.667 4.340 -0.001 0.000 0.207 693 R C 1.260 177.543 176.300 -0.027 0.000 1.040 693 R CA 0.553 56.631 56.100 -0.037 0.000 1.013 693 R CB 0.707 30.966 30.300 -0.069 0.000 0.931 693 R HN 0.041 nan 8.270 nan 0.000 0.465 694 G N -0.016 108.766 108.800 -0.030 0.000 2.554 694 G HA2 0.330 4.289 3.960 -0.001 0.000 0.306 694 G HA3 0.330 4.289 3.960 -0.001 0.000 0.306 694 G C -1.957 172.960 174.900 0.028 0.000 1.320 694 G CA -0.796 44.306 45.100 0.003 0.000 0.800 694 G HN 0.109 nan 8.290 nan 0.000 0.481 695 Q N -1.055 118.775 119.800 0.050 0.000 2.309 695 Q HA 0.711 5.051 4.340 -0.001 0.000 0.273 695 Q C -0.920 175.103 176.000 0.039 0.000 1.040 695 Q CA -1.005 54.837 55.803 0.066 0.000 0.834 695 Q CB 2.481 31.262 28.738 0.071 0.000 1.345 695 Q HN 1.081 nan 8.270 nan 0.000 0.414 696 I N -1.131 119.445 120.570 0.010 0.000 3.074 696 I HA 0.649 4.818 4.170 -0.001 0.000 0.310 696 I C -1.433 174.618 176.117 -0.111 0.000 1.153 696 I CA -1.674 59.616 61.300 -0.017 0.000 0.993 696 I CB 2.012 40.019 38.000 0.012 0.000 1.237 696 I HN 0.614 nan 8.210 nan 0.000 0.443 697 L N 2.583 123.697 121.223 -0.182 0.000 2.309 697 L HA 0.663 5.002 4.340 -0.001 0.000 0.282 697 L C -0.007 176.693 176.870 -0.283 0.000 1.036 697 L CA -0.354 54.278 54.840 -0.347 0.000 0.806 697 L CB 1.933 43.642 42.059 -0.584 0.000 1.220 697 L HN 0.881 nan 8.230 nan 0.000 0.429 698 T N -1.096 113.292 114.554 -0.278 0.000 2.864 698 T HA 0.706 5.056 4.350 -0.001 0.000 0.289 698 T C -0.233 174.367 174.700 -0.166 0.000 1.082 698 T CA -0.805 61.187 62.100 -0.182 0.000 1.009 698 T CB 1.977 70.788 68.868 -0.096 0.000 1.234 698 T HN 0.629 nan 8.240 nan 0.000 0.526 699 G N 0.349 109.129 108.800 -0.032 0.000 2.422 699 G HA2 0.569 4.528 3.960 -0.001 0.000 0.317 699 G HA3 0.569 4.528 3.960 -0.001 0.000 0.317 699 G C -0.629 174.280 174.900 0.016 0.000 1.210 699 G CA -0.633 44.482 45.100 0.025 0.000 0.930 699 G HN 0.776 nan 8.290 nan 0.000 0.468 700 V N 1.776 121.697 119.914 0.012 0.000 2.732 700 V HA 0.375 4.494 4.120 -0.001 0.000 0.297 700 V C 0.319 176.422 176.094 0.014 0.000 1.060 700 V CA -0.217 62.089 62.300 0.009 0.000 1.038 700 V CB 1.575 33.405 31.823 0.012 0.000 1.003 700 V HN 0.704 nan 8.190 nan 0.000 0.481 701 K N 2.670 123.074 120.400 0.007 0.000 2.604 701 K HA 0.506 4.826 4.320 -0.001 0.000 0.247 701 K C -1.229 175.368 176.600 -0.004 0.000 0.956 701 K CA -0.379 55.910 56.287 0.004 0.000 0.896 701 K CB 1.742 34.244 32.500 0.004 0.000 1.131 701 K HN 0.469 nan 8.250 nan 0.000 0.440 702 V N 4.026 123.935 119.914 -0.008 0.000 2.455 702 V HA 0.354 4.473 4.120 -0.001 0.000 0.273 702 V C -0.369 175.701 176.094 -0.041 0.000 1.045 702 V CA 0.172 62.460 62.300 -0.021 0.000 0.976 702 V CB 1.008 32.818 31.823 -0.021 0.000 0.993 702 V HN 0.898 nan 8.190 nan 0.000 0.475 703 T N 1.978 116.496 114.554 -0.060 0.000 2.942 703 T HA 0.246 4.595 4.350 -0.001 0.000 0.327 703 T C -0.121 174.508 174.700 -0.118 0.000 1.360 703 T CA -0.682 61.376 62.100 -0.070 0.000 1.055 703 T CB 1.669 70.521 68.868 -0.027 0.000 1.261 703 T HN 0.723 nan 8.240 nan 0.000 0.485 704 D N 0.532 120.847 120.400 -0.142 0.000 2.325 704 D HA 0.235 4.874 4.640 -0.001 0.000 0.234 704 D C 1.607 177.939 176.300 0.053 0.000 1.122 704 D CA -0.089 53.827 54.000 -0.139 0.000 0.850 704 D CB -0.245 40.455 40.800 -0.167 0.000 0.921 704 D HN 0.577 nan 8.370 nan 0.000 0.513 705 A N 0.369 123.219 122.820 0.050 0.000 1.969 705 A HA 0.082 4.401 4.320 -0.001 0.000 0.218 705 A C 1.252 178.917 177.584 0.134 0.000 1.169 705 A CA 0.935 53.027 52.037 0.091 0.000 0.635 705 A CB -0.557 18.477 19.000 0.057 0.000 0.810 705 A HN 0.314 nan 8.150 nan 0.000 0.445 706 V N -0.574 119.416 119.914 0.128 0.000 2.465 706 V HA 0.499 4.618 4.120 -0.001 0.000 0.279 706 V C 0.290 176.510 176.094 0.211 0.000 1.045 706 V CA -0.900 61.490 62.300 0.151 0.000 0.938 706 V CB 0.330 32.225 31.823 0.120 0.000 0.986 706 V HN 0.565 nan 8.190 nan 0.000 0.467 707 M N 1.808 121.498 119.600 0.150 0.000 2.245 707 M HA 0.327 4.806 4.480 -0.001 0.000 0.312 707 M C 0.222 176.523 176.300 0.002 0.000 1.070 707 M CA -0.179 55.170 55.300 0.082 0.000 1.162 707 M CB 0.036 32.641 32.600 0.008 0.000 1.448 707 M HN 0.782 nan 8.290 nan 0.000 0.446 708 K N 1.316 121.567 120.400 -0.248 0.000 2.489 708 K HA 0.254 4.573 4.320 -0.001 0.000 0.278 708 K C 0.868 177.390 176.600 -0.130 0.000 1.000 708 K CA 1.274 57.324 56.287 -0.395 0.000 1.012 708 K CB -0.017 32.146 32.500 -0.563 0.000 0.903 708 K HN 0.966 nan 8.250 nan 0.000 0.485 709 G N 1.662 110.432 108.800 -0.051 0.000 2.194 709 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.236 709 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.236 709 G C -0.475 174.464 174.900 0.066 0.000 0.987 709 G CA -0.011 45.095 45.100 0.009 0.000 0.635 709 G HN 0.567 nan 8.290 nan 0.000 0.520 710 V N 2.485 122.445 119.914 0.077 0.000 2.588 710 V HA 0.734 4.853 4.120 -0.001 0.000 0.304 710 V C 0.406 176.565 176.094 0.109 0.000 1.042 710 V CA -0.522 61.853 62.300 0.126 0.000 0.877 710 V CB 1.839 33.740 31.823 0.129 0.000 0.996 710 V HN 0.695 nan 8.190 nan 0.000 0.425 711 I N 1.472 122.099 120.570 0.095 0.000 2.693 711 I HA 0.699 4.868 4.170 -0.001 0.000 0.303 711 I C -0.631 175.511 176.117 0.042 0.000 1.025 711 I CA -0.695 60.638 61.300 0.055 0.000 1.086 711 I CB 2.000 40.016 38.000 0.026 0.000 1.268 711 I HN 0.679 nan 8.210 nan 0.000 0.440 712 Q N 5.419 125.215 119.800 -0.005 0.000 2.348 712 Q HA 0.603 4.943 4.340 -0.001 0.000 0.265 712 Q C -1.757 174.161 176.000 -0.137 0.000 0.998 712 Q CA -0.629 55.139 55.803 -0.058 0.000 0.831 712 Q CB 1.736 30.407 28.738 -0.113 0.000 1.251 712 Q HN 0.794 nan 8.270 nan 0.000 0.456 713 I N 4.577 125.101 120.570 -0.076 0.000 2.439 713 I HA 0.250 4.419 4.170 -0.001 0.000 0.283 713 I C -0.969 175.179 176.117 0.052 0.000 1.023 713 I CA -0.844 60.422 61.300 -0.057 0.000 1.100 713 I CB 0.910 38.903 38.000 -0.013 0.000 1.238 713 I HN 0.569 nan 8.210 nan 0.000 0.445 714 Y N 3.835 124.180 120.300 0.074 0.000 2.457 714 Y HA 0.110 4.659 4.550 -0.001 0.000 0.341 714 Y C 0.982 176.945 175.900 0.104 0.000 1.240 714 Y CA -0.763 57.394 58.100 0.095 0.000 1.437 714 Y CB 0.385 38.887 38.460 0.069 0.000 1.328 714 Y HN 0.561 nan 8.280 nan 0.000 0.588 715 E N -0.226 120.151 120.200 0.294 0.000 2.392 715 E HA 0.462 4.812 4.350 -0.001 0.000 0.256 715 E C 0.987 177.711 176.600 0.207 0.000 1.145 715 E CA 0.131 56.652 56.400 0.202 0.000 0.929 715 E CB 0.351 30.138 29.700 0.145 0.000 0.998 715 E HN 0.758 nan 8.360 nan 0.000 0.442 716 G N 0.294 109.232 108.800 0.229 0.000 2.201 716 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.212 716 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.212 716 G C 0.509 175.657 174.900 0.413 0.000 0.994 716 G CA -0.328 44.947 45.100 0.292 0.000 0.644 716 G HN 0.947 nan 8.290 nan 0.000 0.508 717 G N -0.223 108.836 108.800 0.431 0.000 2.340 717 G HA2 0.331 4.291 3.960 -0.001 0.000 0.245 717 G HA3 0.331 4.291 3.960 -0.001 0.000 0.245 717 G C 0.161 175.478 174.900 0.695 0.000 1.294 717 G CA -0.193 45.293 45.100 0.644 0.000 0.896 717 G HN 0.283 nan 8.290 nan 0.000 0.522 718 W N 2.700 124.204 121.300 0.340 0.000 2.666 718 W HA 0.193 4.852 4.660 -0.001 0.000 0.365 718 W C 0.472 177.113 176.519 0.204 0.000 1.224 718 W CA -1.363 56.074 57.345 0.153 0.000 1.515 718 W CB -1.003 28.410 29.460 -0.079 0.000 1.562 718 W HN 0.485 nan 8.180 nan 0.000 0.455 719 Y N 3.688 124.156 120.300 0.280 0.000 2.996 719 Y HA -0.149 4.401 4.550 -0.001 0.000 0.347 719 Y C 0.341 176.324 175.900 0.137 0.000 1.276 719 Y CA 0.928 59.139 58.100 0.184 0.000 1.601 719 Y CB 0.222 38.741 38.460 0.099 0.000 1.193 719 Y HN 0.361 nan 8.280 nan 0.000 0.582 720 D N 8.894 129.163 120.400 -0.217 0.000 2.468 720 D HA 0.277 4.917 4.640 -0.001 0.000 0.272 720 D C -3.038 173.042 176.300 -0.367 0.000 1.221 720 D CA -2.007 51.825 54.000 -0.279 0.000 0.860 720 D CB 0.703 41.454 40.800 -0.082 0.000 1.190 720 D HN 0.262 nan 8.370 nan 0.000 0.509 721 P HA 0.030 nan 4.420 nan 0.000 0.265 721 P C 0.678 177.872 177.300 -0.177 0.000 1.193 721 P CA -0.073 62.783 63.100 -0.407 0.000 0.765 721 P CB 1.501 32.968 31.700 -0.389 0.000 0.823 722 S N 0.966 116.617 115.700 -0.081 0.000 2.383 722 S HA -0.103 4.366 4.470 -0.001 0.000 0.227 722 S C 0.724 175.300 174.600 -0.040 0.000 1.026 722 S CA 1.395 59.571 58.200 -0.040 0.000 0.981 722 S CB -0.298 62.904 63.200 0.002 0.000 0.818 722 S HN 0.644 nan 8.310 nan 0.000 0.472 723 D N 0.059 120.440 120.400 -0.031 0.000 2.470 723 D HA 0.174 4.813 4.640 -0.001 0.000 0.233 723 D C 0.667 176.962 176.300 -0.008 0.000 1.372 723 D CA -0.322 53.663 54.000 -0.025 0.000 0.994 723 D CB 1.324 42.120 40.800 -0.006 0.000 1.377 723 D HN 0.002 nan 8.370 nan 0.000 0.586 724 V N 2.095 121.994 119.914 -0.025 0.000 2.867 724 V HA -0.095 4.024 4.120 -0.001 0.000 0.260 724 V C 1.650 177.765 176.094 0.036 0.000 1.099 724 V CA 2.277 64.589 62.300 0.019 0.000 1.122 724 V CB -1.264 30.547 31.823 -0.020 0.000 0.708 724 V HN 0.657 nan 8.190 nan 0.000 0.490 725 T N -1.704 112.857 114.554 0.012 0.000 3.100 725 T HA 0.080 4.429 4.350 -0.001 0.000 0.253 725 T C 0.764 175.482 174.700 0.029 0.000 1.118 725 T CA 0.563 62.675 62.100 0.020 0.000 1.058 725 T CB -0.332 68.538 68.868 0.004 0.000 0.953 725 T HN 0.775 nan 8.240 nan 0.000 0.515 726 E N 2.621 122.841 120.200 0.033 0.000 2.046 726 E HA 0.311 4.660 4.350 -0.001 0.000 0.279 726 E C -2.755 173.876 176.600 0.053 0.000 0.989 726 E CA -2.794 53.628 56.400 0.037 0.000 0.798 726 E CB 0.846 30.564 29.700 0.031 0.000 1.086 726 E HN 0.151 nan 8.360 nan 0.000 0.399 727 P HA 0.028 nan 4.420 nan 0.000 0.262 727 P C 0.391 177.725 177.300 0.057 0.000 1.182 727 P CA 1.068 64.201 63.100 0.055 0.000 0.761 727 P CB 0.664 32.390 31.700 0.043 0.000 0.795 728 G N 1.568 110.408 108.800 0.066 0.000 2.148 728 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.254 728 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.254 728 G C 0.551 175.496 174.900 0.075 0.000 0.981 728 G CA 0.249 45.387 45.100 0.064 0.000 0.670 728 G HN 0.766 nan 8.290 nan 0.000 0.528 729 T N 0.068 114.673 114.554 0.086 0.000 2.946 729 T HA 0.270 4.619 4.350 -0.001 0.000 0.312 729 T C 0.835 175.587 174.700 0.086 0.000 1.066 729 T CA 0.375 62.521 62.100 0.076 0.000 1.138 729 T CB 0.256 69.165 68.868 0.067 0.000 1.014 729 T HN 1.155 nan 8.240 nan 0.000 0.544 730 L N 4.543 125.801 121.223 0.058 0.000 2.453 730 L HA 0.330 4.669 4.340 -0.001 0.000 0.272 730 L C 0.099 176.989 176.870 0.034 0.000 1.182 730 L CA -0.097 54.768 54.840 0.042 0.000 0.858 730 L CB 0.697 42.766 42.059 0.017 0.000 1.120 730 L HN 0.614 nan 8.230 nan 0.000 0.474 731 D N 3.464 123.902 120.400 0.064 0.000 2.295 731 D HA 0.142 4.781 4.640 -0.001 0.000 0.248 731 D C 0.511 176.834 176.300 0.038 0.000 1.154 731 D CA 0.017 54.063 54.000 0.077 0.000 0.857 731 D CB 1.086 42.030 40.800 0.240 0.000 1.117 731 D HN 0.609 nan 8.370 nan 0.000 0.468 732 K N 2.873 123.301 120.400 0.045 0.000 2.228 732 K HA -0.118 4.202 4.320 -0.001 0.000 0.202 732 K C 0.922 177.679 176.600 0.262 0.000 1.051 732 K CA 0.609 56.957 56.287 0.103 0.000 0.960 732 K CB 0.193 32.748 32.500 0.092 0.000 0.743 732 K HN 0.516 nan 8.250 nan 0.000 0.458 733 Y N 0.063 120.461 120.300 0.163 0.000 2.464 733 Y HA 0.189 4.738 4.550 -0.001 0.000 0.288 733 Y C 0.651 176.708 175.900 0.262 0.000 1.133 733 Y CA 0.899 59.156 58.100 0.261 0.000 1.223 733 Y CB 1.251 39.846 38.460 0.225 0.000 1.187 733 Y HN 0.040 nan 8.280 nan 0.000 0.539 734 G N 1.883 110.720 108.800 0.062 0.000 2.678 734 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.175 734 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.175 734 G C -1.492 173.502 174.900 0.157 0.000 1.078 734 G CA -0.222 44.865 45.100 -0.021 0.000 0.864 734 G HN 0.326 nan 8.290 nan 0.000 0.521 735 D N 0.773 121.334 120.400 0.268 0.000 2.365 735 D HA 0.319 4.958 4.640 -0.001 0.000 0.237 735 D C 1.408 177.784 176.300 0.128 0.000 1.190 735 D CA -0.000 54.155 54.000 0.258 0.000 0.867 735 D CB 1.505 42.482 40.800 0.294 0.000 1.050 735 D HN 0.201 nan 8.370 nan 0.000 0.491 736 V N 4.852 124.827 119.914 0.103 0.000 2.867 736 V HA -0.174 3.945 4.120 -0.001 0.000 0.260 736 V C 1.493 177.587 176.094 0.001 0.000 1.099 736 V CA 1.321 63.648 62.300 0.046 0.000 1.122 736 V CB -0.480 31.382 31.823 0.065 0.000 0.708 736 V HN 0.537 nan 8.190 nan 0.000 0.490 737 N N -0.197 118.496 118.700 -0.012 0.000 2.550 737 N HA -0.041 4.698 4.740 -0.001 0.000 0.186 737 N C 1.525 176.954 175.510 -0.135 0.000 1.110 737 N CA 1.049 54.050 53.050 -0.081 0.000 0.912 737 N CB 0.267 38.690 38.487 -0.107 0.000 0.968 737 N HN 0.434 nan 8.380 nan 0.000 0.448 738 V N 0.747 120.597 119.914 -0.106 0.000 2.759 738 V HA -0.094 4.026 4.120 -0.001 0.000 0.256 738 V C 1.989 178.029 176.094 -0.090 0.000 1.080 738 V CA 1.076 63.308 62.300 -0.112 0.000 1.101 738 V CB -0.186 31.626 31.823 -0.018 0.000 0.698 738 V HN 0.274 nan 8.190 nan 0.000 0.477 739 L N -0.239 120.933 121.223 -0.085 0.000 2.513 739 L HA 0.171 4.510 4.340 -0.001 0.000 0.222 739 L C 1.353 178.153 176.870 -0.115 0.000 1.096 739 L CA 0.067 54.844 54.840 -0.105 0.000 0.857 739 L CB -0.159 41.832 42.059 -0.113 0.000 1.026 739 L HN 0.394 nan 8.230 nan 0.000 0.469 740 S N 0.458 116.094 115.700 -0.107 0.000 2.614 740 S HA 0.615 5.085 4.470 -0.001 0.000 0.265 740 S C 0.083 174.612 174.600 -0.119 0.000 1.303 740 S CA -0.620 57.517 58.200 -0.105 0.000 1.000 740 S CB 1.770 64.914 63.200 -0.093 0.000 0.935 740 S HN 0.124 nan 8.310 nan 0.000 0.551 741 A N 0.290 123.042 122.820 -0.113 0.000 2.282 741 A HA 0.566 4.885 4.320 -0.001 0.000 0.319 741 A C -0.343 177.155 177.584 -0.142 0.000 1.121 741 A CA -0.636 51.330 52.037 -0.118 0.000 0.836 741 A CB 0.561 19.493 19.000 -0.113 0.000 1.146 741 A HN 0.839 nan 8.150 nan 0.000 0.494 742 D N 1.246 121.563 120.400 -0.137 0.000 2.485 742 D HA 0.474 5.113 4.640 -0.001 0.000 0.256 742 D C -0.435 175.801 176.300 -0.106 0.000 1.141 742 D CA -0.080 53.834 54.000 -0.144 0.000 0.942 742 D CB -0.341 40.384 40.800 -0.125 0.000 1.003 742 D HN 0.520 nan 8.370 nan 0.000 0.507 743 I N -1.261 119.235 120.570 -0.123 0.000 3.042 743 I HA 0.840 5.009 4.170 -0.001 0.000 0.310 743 I C 0.279 176.332 176.117 -0.108 0.000 1.117 743 I CA -1.456 59.767 61.300 -0.129 0.000 1.003 743 I CB 2.122 39.992 38.000 -0.218 0.000 1.228 743 I HN 0.148 nan 8.210 nan 0.000 0.443 744 G N 0.913 109.665 108.800 -0.080 0.000 2.420 744 G HA2 0.407 4.366 3.960 -0.001 0.000 0.284 744 G HA3 0.407 4.366 3.960 -0.001 0.000 0.284 744 G C 0.860 175.762 174.900 0.003 0.000 1.177 744 G CA 0.141 45.215 45.100 -0.043 0.000 0.841 744 G HN 0.921 nan 8.290 nan 0.000 0.527 745 T N -1.251 113.314 114.554 0.018 0.000 2.699 745 T HA -0.010 4.339 4.350 -0.001 0.000 0.268 745 T C 1.249 175.981 174.700 0.052 0.000 1.036 745 T CA 1.587 63.722 62.100 0.058 0.000 1.147 745 T CB -0.447 68.450 68.868 0.048 0.000 0.862 745 T HN 1.556 nan 8.240 nan 0.000 0.446 746 S N -1.042 114.680 115.700 0.035 0.000 2.669 746 S HA 0.419 4.889 4.470 -0.001 0.000 0.266 746 S C -0.015 174.553 174.600 -0.053 0.000 1.149 746 S CA -0.972 57.235 58.200 0.013 0.000 0.842 746 S CB 1.322 64.550 63.200 0.047 0.000 1.160 746 S HN 0.091 nan 8.310 nan 0.000 0.487 747 K N -0.314 119.958 120.400 -0.214 0.000 2.283 747 K HA 0.102 4.422 4.320 -0.001 0.000 0.202 747 K C 1.749 178.147 176.600 -0.338 0.000 1.048 747 K CA 1.012 57.004 56.287 -0.492 0.000 0.948 747 K CB -0.442 31.283 32.500 -1.292 0.000 0.742 747 K HN 0.437 nan 8.250 nan 0.000 0.458 748 L N 0.533 121.718 121.223 -0.064 0.000 1.961 748 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 748 L C 2.048 179.013 176.870 0.158 0.000 1.072 748 L CA 2.124 57.048 54.840 0.140 0.000 0.749 748 L CB -0.377 41.753 42.059 0.119 0.000 0.889 748 L HN 0.107 nan 8.230 nan 0.000 0.432 749 A N -3.069 119.860 122.820 0.182 0.000 2.115 749 A HA 0.075 4.394 4.320 -0.001 0.000 0.211 749 A C 0.796 178.556 177.584 0.293 0.000 1.169 749 A CA 0.256 52.475 52.037 0.304 0.000 0.787 749 A CB 0.111 19.196 19.000 0.143 0.000 0.858 749 A HN 0.555 nan 8.150 nan 0.000 0.474 750 Q N -0.905 118.977 119.800 0.137 0.000 2.475 750 Q HA -0.172 4.167 4.340 -0.001 0.000 0.280 750 Q C 0.522 176.476 176.000 -0.076 0.000 1.234 750 Q CA 0.847 56.652 55.803 0.004 0.000 0.873 750 Q CB -2.529 26.173 28.738 -0.059 0.000 1.256 750 Q HN 0.770 nan 8.270 nan 0.000 0.475 751 G N 1.009 109.784 108.800 -0.041 0.000 2.562 751 G HA2 0.363 4.322 3.960 -0.001 0.000 0.275 751 G HA3 0.363 4.322 3.960 -0.001 0.000 0.275 751 G C 0.333 175.165 174.900 -0.112 0.000 1.196 751 G CA -0.007 45.034 45.100 -0.099 0.000 0.908 751 G HN 0.471 nan 8.290 nan 0.000 0.524 752 N N -2.500 116.104 118.700 -0.160 0.000 2.445 752 N HA 0.289 5.028 4.740 -0.001 0.000 0.264 752 N C -0.268 175.232 175.510 -0.016 0.000 1.227 752 N CA -0.580 52.405 53.050 -0.109 0.000 0.963 752 N CB 1.437 39.861 38.487 -0.105 0.000 1.188 752 N HN 0.214 nan 8.380 nan 0.000 0.491 753 C N 1.269 120.560 119.300 -0.014 0.000 2.513 753 C HA 0.456 4.916 4.460 -0.001 0.000 0.281 753 C C 1.830 176.840 174.990 0.033 0.000 1.501 753 C CA -0.719 58.311 59.018 0.019 0.000 1.749 753 C CB -0.962 26.764 27.740 -0.023 0.000 2.955 753 C HN 1.000 nan 8.230 nan 0.000 0.532 754 G N 0.449 109.291 108.800 0.069 0.000 2.527 754 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.219 754 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.219 754 G C 1.302 176.259 174.900 0.094 0.000 1.117 754 G CA 0.743 45.889 45.100 0.076 0.000 0.759 754 G HN 0.707 nan 8.290 nan 0.000 0.556 755 Q N -0.298 119.582 119.800 0.134 0.000 2.172 755 Q HA 0.100 4.439 4.340 -0.001 0.000 0.217 755 Q C -0.136 175.977 176.000 0.188 0.000 0.832 755 Q CA -0.054 55.853 55.803 0.173 0.000 1.010 755 Q CB 0.835 29.724 28.738 0.251 0.000 1.133 755 Q HN 0.160 nan 8.270 nan 0.000 0.489 756 T N 1.393 116.016 114.554 0.115 0.000 3.400 756 T HA 0.326 4.675 4.350 -0.001 0.000 0.364 756 T C -0.655 174.048 174.700 0.006 0.000 1.636 756 T CA -0.018 62.153 62.100 0.119 0.000 1.211 756 T CB 0.246 69.169 68.868 0.092 0.000 1.180 756 T HN -0.129 nan 8.240 nan 0.000 0.730 757 V N 4.633 124.480 119.914 -0.112 0.000 2.567 757 V HA 0.479 4.598 4.120 -0.001 0.000 0.298 757 V C -0.452 175.485 176.094 -0.262 0.000 1.047 757 V CA -0.917 61.271 62.300 -0.187 0.000 0.880 757 V CB 1.894 33.598 31.823 -0.198 0.000 1.009 757 V HN 0.611 nan 8.190 nan 0.000 0.429 758 L N 3.989 125.139 121.223 -0.121 0.000 2.334 758 L HA 1.007 5.347 4.340 -0.001 0.000 0.276 758 L C 0.214 176.988 176.870 -0.161 0.000 1.014 758 L CA -0.405 54.399 54.840 -0.060 0.000 0.815 758 L CB 1.931 44.044 42.059 0.090 0.000 1.268 758 L HN 0.816 nan 8.230 nan 0.000 0.428 759 A N 2.021 124.749 122.820 -0.154 0.000 2.568 759 A HA 0.751 5.070 4.320 -0.001 0.000 0.291 759 A C -1.560 175.929 177.584 -0.158 0.000 1.159 759 A CA -0.467 51.355 52.037 -0.358 0.000 0.679 759 A CB 2.092 20.894 19.000 -0.330 0.000 1.285 759 A HN 0.589 nan 8.150 nan 0.000 0.428 760 E N -0.724 119.294 120.200 -0.303 0.000 2.235 760 E HA 0.698 5.047 4.350 -0.001 0.000 0.265 760 E C -1.557 174.947 176.600 -0.159 0.000 0.940 760 E CA -0.423 55.887 56.400 -0.150 0.000 0.819 760 E CB 1.895 31.515 29.700 -0.133 0.000 1.206 760 E HN 0.607 nan 8.360 nan 0.000 0.409 761 V N 3.119 123.045 119.914 0.020 0.000 2.709 761 V HA 0.486 4.606 4.120 -0.001 0.000 0.308 761 V C -0.773 175.408 176.094 0.145 0.000 1.062 761 V CA -0.701 61.651 62.300 0.087 0.000 0.901 761 V CB 1.570 33.422 31.823 0.049 0.000 1.003 761 V HN 0.806 nan 8.190 nan 0.000 0.425 762 E N 2.760 123.063 120.200 0.172 0.000 2.393 762 E HA 0.541 4.890 4.350 -0.001 0.000 0.273 762 E C -1.012 175.655 176.600 0.111 0.000 0.918 762 E CA -1.172 55.310 56.400 0.136 0.000 0.773 762 E CB 2.547 32.335 29.700 0.146 0.000 1.275 762 E HN 0.456 nan 8.360 nan 0.000 0.451 763 K N 1.288 121.739 120.400 0.084 0.000 2.448 763 K HA -0.032 4.288 4.320 -0.001 0.000 0.278 763 K C -0.972 175.697 176.600 0.115 0.000 1.009 763 K CA -0.258 56.078 56.287 0.081 0.000 0.995 763 K CB 0.306 32.837 32.500 0.050 0.000 0.917 763 K HN 0.507 nan 8.250 nan 0.000 0.481 764 Y N 3.339 123.630 120.300 -0.016 0.000 2.402 764 Y HA 0.036 4.585 4.550 -0.001 0.000 0.333 764 Y C 0.676 176.566 175.900 -0.017 0.000 1.076 764 Y CA 0.253 58.337 58.100 -0.026 0.000 1.299 764 Y CB 0.801 39.232 38.460 -0.049 0.000 1.197 764 Y HN 0.709 nan 8.280 nan 0.000 0.517 765 T N 1.791 116.049 114.554 -0.494 0.000 3.200 765 T HA 0.421 4.771 4.350 -0.001 0.000 0.284 765 T C 0.691 175.019 174.700 -0.619 0.000 1.009 765 T CA 0.035 61.859 62.100 -0.461 0.000 0.907 765 T CB -0.461 68.283 68.868 -0.205 0.000 1.120 765 T HN 0.731 nan 8.240 nan 0.000 0.534 766 G N 2.619 110.682 108.800 -1.229 0.000 2.535 766 G HA2 0.591 4.551 3.960 -0.001 0.000 0.282 766 G HA3 0.591 4.551 3.960 -0.001 0.000 0.282 766 G C -2.264 172.361 174.900 -0.457 0.000 1.350 766 G CA -1.422 43.279 45.100 -0.665 0.000 1.039 766 G HN 0.300 nan 8.290 nan 0.000 0.509 767 P HA 0.308 nan 4.420 nan 0.000 0.269 767 P C 0.102 177.488 177.300 0.143 0.000 1.215 767 P CA -0.055 63.058 63.100 0.021 0.000 0.780 767 P CB 0.710 32.446 31.700 0.059 0.000 0.898 768 A N 2.246 125.131 122.820 0.109 0.000 2.429 768 A HA 0.327 4.646 4.320 -0.001 0.000 0.242 768 A C -0.030 177.655 177.584 0.169 0.000 1.088 768 A CA -0.057 52.079 52.037 0.165 0.000 0.784 768 A CB 0.006 19.069 19.000 0.105 0.000 1.038 768 A HN 0.416 nan 8.150 nan 0.000 0.501 769 V N 0.227 120.247 119.914 0.176 0.000 2.789 769 V HA 0.505 4.624 4.120 -0.001 0.000 0.311 769 V C -0.119 176.037 176.094 0.104 0.000 1.073 769 V CA -0.392 61.990 62.300 0.137 0.000 0.921 769 V CB 2.487 34.411 31.823 0.169 0.000 1.009 769 V HN 0.971 nan 8.190 nan 0.000 0.426 770 T N 5.867 120.461 114.554 0.066 0.000 2.770 770 T HA 0.547 4.896 4.350 -0.001 0.000 0.283 770 T C -0.243 174.478 174.700 0.035 0.000 0.988 770 T CA -0.276 61.849 62.100 0.043 0.000 0.957 770 T CB 0.661 69.543 68.868 0.023 0.000 0.930 770 T HN 0.375 nan 8.240 nan 0.000 0.443 771 L N 3.730 124.979 121.223 0.044 0.000 2.455 771 L HA 0.252 4.591 4.340 -0.001 0.000 0.272 771 L C 1.498 178.367 176.870 -0.002 0.000 1.174 771 L CA -0.144 54.724 54.840 0.048 0.000 0.869 771 L CB 0.296 42.434 42.059 0.131 0.000 1.130 771 L HN 0.796 nan 8.230 nan 0.000 0.474 772 T N -2.687 111.827 114.554 -0.068 0.000 3.132 772 T HA 0.135 4.484 4.350 -0.001 0.000 0.274 772 T C 1.271 175.868 174.700 -0.172 0.000 1.011 772 T CA 0.191 62.233 62.100 -0.098 0.000 0.899 772 T CB 0.624 69.432 68.868 -0.100 0.000 1.089 772 T HN 0.690 nan 8.240 nan 0.000 0.543 773 G N 0.504 109.113 108.800 -0.319 0.000 2.939 773 G HA2 0.254 4.213 3.960 -0.001 0.000 0.210 773 G HA3 0.254 4.213 3.960 -0.001 0.000 0.210 773 G C 0.338 174.956 174.900 -0.470 0.000 1.160 773 G CA -0.233 44.600 45.100 -0.446 0.000 0.770 773 G HN 0.512 nan 8.290 nan 0.000 0.543 774 F N 0.830 120.820 119.950 0.067 0.000 2.708 774 F HA 0.382 4.909 4.527 -0.001 0.000 0.300 774 F C 0.363 176.190 175.800 0.044 0.000 1.118 774 F CA -1.202 56.828 58.000 0.050 0.000 1.307 774 F CB 0.515 39.466 39.000 -0.082 0.000 0.986 774 F HN -0.001 nan 8.300 nan 0.000 0.522 775 V N -2.399 117.583 119.914 0.112 0.000 3.007 775 V HA 0.935 5.055 4.120 -0.001 0.000 0.311 775 V C 0.016 176.075 176.094 -0.058 0.000 1.120 775 V CA -1.790 60.538 62.300 0.047 0.000 0.980 775 V CB 1.024 32.850 31.823 0.005 0.000 1.033 775 V HN 0.015 nan 8.190 nan 0.000 0.429 776 A N 2.893 125.648 122.820 -0.108 0.000 2.366 776 A HA 0.739 5.059 4.320 -0.001 0.000 0.249 776 A C -2.258 175.053 177.584 -0.454 0.000 1.084 776 A CA -1.189 50.602 52.037 -0.410 0.000 0.794 776 A CB -0.707 18.136 19.000 -0.261 0.000 1.034 776 A HN 0.858 nan 8.150 nan 0.000 0.491 777 P HA 0.061 nan 4.420 nan 0.000 0.265 777 P C 0.458 177.591 177.300 -0.277 0.000 1.187 777 P CA -0.014 62.808 63.100 -0.463 0.000 0.766 777 P CB 0.479 31.859 31.700 -0.533 0.000 0.820 778 K N 3.332 123.637 120.400 -0.158 0.000 2.059 778 K HA -0.218 4.102 4.320 -0.001 0.000 0.212 778 K C 1.920 178.486 176.600 -0.056 0.000 1.050 778 K CA 2.289 58.522 56.287 -0.091 0.000 0.927 778 K CB -0.996 31.464 32.500 -0.067 0.000 0.714 778 K HN 0.518 nan 8.250 nan 0.000 0.447 779 A N -0.383 122.415 122.820 -0.037 0.000 2.121 779 A HA 0.059 4.378 4.320 -0.001 0.000 0.218 779 A C 1.953 179.564 177.584 0.046 0.000 1.154 779 A CA 1.533 53.577 52.037 0.012 0.000 0.679 779 A CB -0.446 18.583 19.000 0.049 0.000 0.795 779 A HN 0.329 nan 8.150 nan 0.000 0.458 780 A N -0.273 122.550 122.820 0.005 0.000 2.275 780 A HA 0.259 4.578 4.320 -0.001 0.000 0.212 780 A C 0.721 178.361 177.584 0.093 0.000 1.201 780 A CA -0.192 51.910 52.037 0.109 0.000 0.843 780 A CB -0.154 18.877 19.000 0.051 0.000 0.873 780 A HN 0.626 nan 8.150 nan 0.000 0.492 781 E N 0.000 120.224 120.200 0.041 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 0.023 0.000 0.976 781 E CB 0.000 29.702 29.700 0.003 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440