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 2os8_1_A DATA FIRST_RESID 6 DATA SEQUENCE NDPDFQYLAV DRKKMMKEQT APFDGKKNCW VPDPKEGFAS AEIQSSKGEE DATA SEQUENCE ITVKIVSDNS TRTVKKDDIQ QMNPPKFEKL EDMANMTYLN EASVLNNLRG DATA SEQUENCE RYTAGLIYTY SGLFCIAVNP YRRLPIYTDS VIAKYRGKRK TEIPPHLFSV DATA SEQUENCE ADNAYQNMVT DRENQSCLIT GESGAGKTES TKKVIMYFAR VAANLXXXXX DATA SEQUENCE XXXXXXXXNL EDQIIEANPV LEAFGNAKTV RNNNSSRFGK FIRIHFGPTG DATA SEQUENCE KIAGADIETY LLEKSRVTYQ QSAERNYHIF YQICSNAIPE LNEVMLITPD DATA SEQUENCE SGLYSFINQG CLTVDNIDDV EEFKLCDEAF DILGFTKEEK TSMFKCTASI DATA SEQUENCE LHMGEMKFKQ RPREEQAESD GTAEAEKVAF LCGINAGDLL KALLKPKVKV DATA SEQUENCE GTEMVTKGQN LQQVINSVGA LSKSLYDRMF NWLVKRVNRT LDTKAKRNYY DATA SEQUENCE IGVLDIAGFE IFDFNSFEQL CINYTNERLQ QFFNHHMFVL EQEEYKKEGI DATA SEQUENCE QWEFIDFGMD LQMCIDLIEK PMGILSILEE ECMFPKADDK SFQDYSYQNH DATA SEQUENCE IGKNRMFTKP GKPTRPNQGH AHFELHHYAG NVPYSIAGWL DKNKDPINEN DATA SEQUENCE VVSLLAVSKE PLVAELFRAX XXXXXXXXXX XXXXXAFQTI SAVHRESLNK DATA SEQUENCE LMCNLRRTNP HFVRCIIPNL EKDPGLVDAE LVLHQLQCNG VLEGIRICRK DATA SEQUENCE GFPSRLIYSE FKQRYSILAP NAIPQXXXDG KTVSEKILTG LQMDPSEYRL DATA SEQUENCE GTTKVFFKAG VLGNLEEMRD ERLSKIISMF QAHIRGYLIR KAYKKLQDQR DATA SEQUENCE IGLSVIQRNI RKWLVLRNWQ WWKLYAKVKP 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.508 175.510 -0.004 0.000 1.280 6 N CA 0.000 53.118 53.050 0.114 0.000 0.885 6 N CB 0.000 38.519 38.487 0.053 0.000 1.341 7 D N 1.113 121.424 120.400 -0.150 0.000 2.364 7 D HA 0.051 4.696 4.640 0.009 0.000 0.236 7 D C -1.458 174.731 176.300 -0.186 0.000 1.221 7 D CA -0.740 53.129 54.000 -0.219 0.000 0.891 7 D CB 0.714 41.302 40.800 -0.354 0.000 1.190 7 D HN -0.005 nan 8.370 nan 0.000 0.449 8 P HA -0.114 nan 4.420 nan 0.000 0.224 8 P C 0.771 178.061 177.300 -0.016 0.000 1.142 8 P CA 0.869 63.940 63.100 -0.049 0.000 0.778 8 P CB 0.194 31.878 31.700 -0.027 0.000 0.764 9 D N -1.358 118.967 120.400 -0.125 0.000 2.110 9 D HA -0.010 4.636 4.640 0.009 0.000 0.202 9 D C 1.555 177.960 176.300 0.176 0.000 0.975 9 D CA 0.903 54.880 54.000 -0.038 0.000 0.839 9 D CB -0.389 40.291 40.800 -0.200 0.000 0.996 9 D HN 0.246 nan 8.370 nan 0.000 0.464 10 F N 1.290 121.287 119.950 0.078 0.000 2.722 10 F HA -0.050 4.482 4.527 0.009 0.000 0.298 10 F C 2.450 178.284 175.800 0.056 0.000 1.175 10 F CA -0.289 57.755 58.000 0.074 0.000 1.462 10 F CB -0.084 38.937 39.000 0.036 0.000 1.111 10 F HN 0.002 nan 8.300 nan 0.000 0.592 11 Q N 0.732 120.638 119.800 0.176 0.000 2.197 11 Q HA -0.261 4.084 4.340 0.009 0.000 0.211 11 Q C 0.562 176.452 176.000 -0.185 0.000 0.993 11 Q CA 1.929 57.718 55.803 -0.023 0.000 0.883 11 Q CB -0.163 28.561 28.738 -0.024 0.000 0.916 11 Q HN 0.551 nan 8.270 nan 0.000 0.418 12 Y N -1.084 119.285 120.300 0.115 0.000 2.681 12 Y HA 0.262 4.818 4.550 0.010 0.000 0.267 12 Y C 0.829 176.803 175.900 0.124 0.000 1.166 12 Y CA -0.279 57.880 58.100 0.097 0.000 1.209 12 Y CB 0.682 39.184 38.460 0.071 0.000 1.161 12 Y HN 0.057 nan 8.280 nan 0.000 0.534 13 L N -1.065 120.302 121.223 0.241 0.000 2.519 13 L HA 0.513 4.859 4.340 0.009 0.000 0.194 13 L C 0.945 177.889 176.870 0.122 0.000 1.072 13 L CA 0.085 55.043 54.840 0.197 0.000 0.845 13 L CB 0.139 42.304 42.059 0.177 0.000 1.138 13 L HN 0.078 nan 8.230 nan 0.000 0.487 14 A N -0.013 122.861 122.820 0.090 0.000 2.384 14 A HA 0.639 4.965 4.320 0.009 0.000 0.312 14 A C -0.739 176.872 177.584 0.045 0.000 1.113 14 A CA -0.472 51.593 52.037 0.048 0.000 0.779 14 A CB 1.399 20.402 19.000 0.005 0.000 1.307 14 A HN -0.071 nan 8.150 nan 0.000 0.436 15 V N 1.449 121.380 119.914 0.028 0.000 2.583 15 V HA 0.259 4.385 4.120 0.009 0.000 0.287 15 V C 0.156 176.256 176.094 0.010 0.000 1.051 15 V CA -0.960 61.347 62.300 0.012 0.000 1.010 15 V CB 0.674 32.504 31.823 0.012 0.000 0.988 15 V HN 0.917 nan 8.190 nan 0.000 0.478 16 D N 5.288 125.689 120.400 0.001 0.000 2.586 16 D HA -0.128 4.517 4.640 0.009 0.000 0.234 16 D C 1.359 177.659 176.300 0.000 0.000 1.132 16 D CA -0.204 53.798 54.000 0.003 0.000 0.860 16 D CB 0.673 41.467 40.800 -0.010 0.000 1.159 16 D HN 0.765 nan 8.370 nan 0.000 0.490 17 R N 2.652 123.153 120.500 0.002 0.000 2.332 17 R HA -0.228 4.118 4.340 0.009 0.000 0.239 17 R C 1.245 177.538 176.300 -0.011 0.000 1.160 17 R CA 0.838 56.935 56.100 -0.006 0.000 1.020 17 R CB -0.515 29.782 30.300 -0.006 0.000 0.859 17 R HN 0.457 nan 8.270 nan 0.000 0.478 18 K N 1.578 121.973 120.400 -0.010 0.000 1.985 18 K HA -0.100 4.225 4.320 0.009 0.000 0.210 18 K C 1.806 178.399 176.600 -0.012 0.000 1.047 18 K CA 1.607 57.887 56.287 -0.012 0.000 0.932 18 K CB -0.084 32.409 32.500 -0.011 0.000 0.716 18 K HN 0.088 nan 8.250 nan 0.000 0.439 19 K N 0.869 121.264 120.400 -0.009 0.000 2.585 19 K HA -0.123 4.203 4.320 0.009 0.000 0.194 19 K C 1.821 178.415 176.600 -0.009 0.000 1.037 19 K CA 0.624 56.907 56.287 -0.006 0.000 0.964 19 K CB 0.045 32.544 32.500 -0.002 0.000 0.787 19 K HN 0.267 nan 8.250 nan 0.000 0.488 20 M N -1.763 117.828 119.600 -0.014 0.000 2.412 20 M HA 0.043 4.529 4.480 0.009 0.000 0.263 20 M C 1.808 178.091 176.300 -0.028 0.000 1.122 20 M CA 1.244 56.530 55.300 -0.023 0.000 1.179 20 M CB 0.038 32.621 32.600 -0.028 0.000 1.335 20 M HN 0.008 nan 8.290 nan 0.000 0.465 21 M N 0.336 119.921 119.600 -0.025 0.000 2.558 21 M HA 0.076 4.562 4.480 0.009 0.000 0.255 21 M C 1.619 177.907 176.300 -0.021 0.000 1.113 21 M CA 1.117 56.401 55.300 -0.027 0.000 1.097 21 M CB 0.147 32.732 32.600 -0.026 0.000 1.426 21 M HN 0.232 nan 8.290 nan 0.000 0.488 22 K N 0.418 120.809 120.400 -0.016 0.000 2.374 22 K HA 0.012 4.338 4.320 0.009 0.000 0.196 22 K C 0.062 176.657 176.600 -0.008 0.000 1.023 22 K CA -0.046 56.235 56.287 -0.011 0.000 1.103 22 K CB 0.340 32.835 32.500 -0.008 0.000 0.848 22 K HN 0.195 nan 8.250 nan 0.000 0.528 23 E N 0.976 121.171 120.200 -0.009 0.000 2.414 23 E HA -0.101 4.254 4.350 0.009 0.000 0.263 23 E C -0.157 176.441 176.600 -0.004 0.000 1.000 23 E CA 0.557 56.955 56.400 -0.004 0.000 0.914 23 E CB 1.456 31.151 29.700 -0.009 0.000 0.948 23 E HN 0.089 nan 8.360 nan 0.000 0.444 24 Q N 2.231 122.033 119.800 0.003 0.000 2.170 24 Q HA 0.030 4.375 4.340 0.009 0.000 0.165 24 Q C 1.650 177.655 176.000 0.008 0.000 0.599 24 Q CA 1.025 56.830 55.803 0.002 0.000 0.844 24 Q CB -0.267 28.471 28.738 -0.000 0.000 1.139 24 Q HN 0.688 nan 8.270 nan 0.000 0.388 25 T N 2.709 117.268 114.554 0.008 0.000 2.515 25 T HA -0.250 4.106 4.350 0.009 0.000 0.246 25 T C 0.976 175.684 174.700 0.014 0.000 1.268 25 T CA 1.941 64.046 62.100 0.008 0.000 1.136 25 T CB -0.890 67.983 68.868 0.008 0.000 0.847 25 T HN 0.483 nan 8.240 nan 0.000 0.442 26 A N 2.202 125.038 122.820 0.026 0.000 2.445 26 A HA 0.408 4.734 4.320 0.009 0.000 0.242 26 A C -0.826 176.795 177.584 0.061 0.000 1.075 26 A CA -0.743 51.323 52.037 0.047 0.000 0.777 26 A CB 0.322 19.371 19.000 0.082 0.000 1.013 26 A HN 0.488 nan 8.150 nan 0.000 0.493 27 P HA 0.190 nan 4.420 nan 0.000 0.306 27 P C -0.087 177.321 177.300 0.180 0.000 1.274 27 P CA -0.067 63.084 63.100 0.085 0.000 0.988 27 P CB 0.433 32.157 31.700 0.040 0.000 1.520 28 F N 2.277 122.218 119.950 -0.015 0.000 2.347 28 F HA -0.179 4.354 4.527 0.009 0.000 0.381 28 F C 0.028 175.827 175.800 -0.002 0.000 1.130 28 F CA 0.192 58.187 58.000 -0.007 0.000 1.275 28 F CB -1.835 37.174 39.000 0.015 0.000 1.857 28 F HN -0.051 nan 8.300 nan 0.000 0.781 29 D N 3.034 123.297 120.400 -0.229 0.000 2.977 29 D HA 0.258 4.903 4.640 0.009 0.000 0.241 29 D C 1.825 177.936 176.300 -0.316 0.000 1.206 29 D CA 0.900 54.794 54.000 -0.178 0.000 0.902 29 D CB -0.411 40.297 40.800 -0.153 0.000 1.131 29 D HN 0.696 nan 8.370 nan 0.000 0.447 30 G N 1.567 110.124 108.800 -0.405 0.000 3.134 30 G HA2 -0.465 3.500 3.960 0.009 0.000 0.227 30 G HA3 -0.465 3.500 3.960 0.009 0.000 0.227 30 G C 1.513 176.267 174.900 -0.244 0.000 1.076 30 G CA 1.338 46.181 45.100 -0.428 0.000 0.725 30 G HN 0.517 nan 8.290 nan 0.000 0.675 31 K N 0.197 120.510 120.400 -0.144 0.000 2.148 31 K HA -0.030 4.295 4.320 0.009 0.000 0.204 31 K C 2.254 178.774 176.600 -0.132 0.000 1.050 31 K CA 1.369 57.602 56.287 -0.091 0.000 0.942 31 K CB -0.118 32.350 32.500 -0.053 0.000 0.724 31 K HN 0.374 nan 8.250 nan 0.000 0.446 32 K N 0.961 121.247 120.400 -0.191 0.000 2.274 32 K HA 0.024 4.349 4.320 0.009 0.000 0.219 32 K C 0.268 176.723 176.600 -0.241 0.000 1.058 32 K CA -0.073 56.106 56.287 -0.181 0.000 0.920 32 K CB -0.204 32.211 32.500 -0.142 0.000 1.124 32 K HN 0.105 nan 8.250 nan 0.000 0.464 33 N N 3.178 121.681 118.700 -0.328 0.000 2.355 33 N HA -0.058 4.687 4.740 0.009 0.000 0.282 33 N C -0.137 175.147 175.510 -0.377 0.000 1.374 33 N CA 0.108 52.943 53.050 -0.358 0.000 0.929 33 N CB -0.626 37.617 38.487 -0.407 0.000 1.278 33 N HN 0.328 nan 8.380 nan 0.000 0.491 34 C N 0.908 120.037 119.300 -0.286 0.000 3.080 34 C HA 0.773 5.239 4.460 0.009 0.000 0.307 34 C C -0.512 174.330 174.990 -0.248 0.000 1.311 34 C CA -1.568 57.304 59.018 -0.243 0.000 1.533 34 C CB 0.009 27.676 27.740 -0.121 0.000 1.970 34 C HN 0.679 nan 8.230 nan 0.000 0.467 35 W N 1.168 122.438 121.300 -0.050 0.000 2.170 35 W HA 0.547 5.213 4.660 0.009 0.000 0.336 35 W C 0.359 176.890 176.519 0.020 0.000 1.283 35 W CA 0.100 57.429 57.345 -0.026 0.000 1.224 35 W CB 0.549 29.927 29.460 -0.138 0.000 1.132 35 W HN 0.675 nan 8.180 nan 0.000 0.571 36 V N 4.787 124.919 119.914 0.362 0.000 2.876 36 V HA 0.529 4.655 4.120 0.009 0.000 0.312 36 V C -2.154 174.201 176.094 0.436 0.000 1.085 36 V CA -3.059 59.423 62.300 0.305 0.000 0.945 36 V CB 2.502 34.419 31.823 0.157 0.000 1.017 36 V HN 0.344 nan 8.190 nan 0.000 0.428 37 P HA 0.145 nan 4.420 nan 0.000 0.267 37 P C -1.026 176.294 177.300 0.034 0.000 1.328 37 P CA 0.206 63.395 63.100 0.147 0.000 0.990 37 P CB 0.298 32.062 31.700 0.107 0.000 1.168 38 D N 5.049 125.449 120.400 -0.001 0.000 2.264 38 D HA 0.175 4.821 4.640 0.009 0.000 0.250 38 D C -1.686 174.577 176.300 -0.061 0.000 1.113 38 D CA -2.224 51.776 54.000 0.000 0.000 0.871 38 D CB 1.462 42.288 40.800 0.044 0.000 1.167 38 D HN 0.115 nan 8.370 nan 0.000 0.447 39 P HA 0.094 nan 4.420 nan 0.000 0.231 39 P C 0.553 177.829 177.300 -0.039 0.000 1.168 39 P CA 0.731 63.802 63.100 -0.048 0.000 0.779 39 P CB 0.529 32.212 31.700 -0.028 0.000 0.844 40 K N -0.935 119.452 120.400 -0.021 0.000 2.335 40 K HA 0.127 4.452 4.320 0.009 0.000 0.195 40 K C 1.090 177.688 176.600 -0.003 0.000 1.058 40 K CA 0.648 56.930 56.287 -0.008 0.000 0.988 40 K CB 0.407 32.911 32.500 0.006 0.000 0.880 40 K HN -0.047 nan 8.250 nan 0.000 0.513 41 E N -0.381 119.819 120.200 0.001 0.000 2.714 41 E HA 0.119 4.475 4.350 0.009 0.000 0.219 41 E C 0.725 177.321 176.600 -0.007 0.000 0.979 41 E CA 0.208 56.621 56.400 0.022 0.000 1.092 41 E CB 1.374 31.116 29.700 0.071 0.000 1.049 41 E HN 0.386 nan 8.360 nan 0.000 0.487 42 G N 1.516 110.251 108.800 -0.109 0.000 2.623 42 G HA2 -0.333 3.633 3.960 0.009 0.000 0.241 42 G HA3 -0.333 3.633 3.960 0.009 0.000 0.241 42 G C 0.399 174.968 174.900 -0.551 0.000 1.114 42 G CA 0.830 45.729 45.100 -0.335 0.000 0.682 42 G HN 0.309 nan 8.290 nan 0.000 0.524 43 F N 0.520 120.528 119.950 0.097 0.000 3.240 43 F HA 0.582 5.115 4.527 0.010 0.000 0.370 43 F C 0.106 176.096 175.800 0.318 0.000 1.271 43 F CA -0.496 57.613 58.000 0.182 0.000 1.224 43 F CB 1.320 40.389 39.000 0.114 0.000 1.624 43 F HN 0.474 nan 8.300 nan 0.000 0.658 44 A N 1.730 124.805 122.820 0.425 0.000 2.311 44 A HA 0.786 5.112 4.320 0.009 0.000 0.334 44 A C -0.030 177.654 177.584 0.168 0.000 1.139 44 A CA -0.613 51.599 52.037 0.290 0.000 0.830 44 A CB 1.026 20.118 19.000 0.154 0.000 1.234 44 A HN 0.678 nan 8.150 nan 0.000 0.483 45 S N 0.310 115.985 115.700 -0.040 0.000 2.572 45 S HA 0.641 5.117 4.470 0.009 0.000 0.279 45 S C 0.191 174.693 174.600 -0.163 0.000 1.341 45 S CA 0.197 58.219 58.200 -0.296 0.000 1.043 45 S CB 0.945 63.931 63.200 -0.357 0.000 0.887 45 S HN 2.041 nan 8.310 nan 0.000 0.516 46 A N 1.858 124.556 122.820 -0.203 0.000 2.535 46 A HA 0.894 5.220 4.320 0.009 0.000 0.296 46 A C -1.615 175.877 177.584 -0.153 0.000 1.248 46 A CA -1.079 50.881 52.037 -0.127 0.000 0.686 46 A CB 1.036 19.993 19.000 -0.071 0.000 1.315 46 A HN 0.837 nan 8.150 nan 0.000 0.460 47 E N -0.685 119.447 120.200 -0.113 0.000 2.363 47 E HA 0.587 4.943 4.350 0.009 0.000 0.281 47 E C -1.210 175.340 176.600 -0.083 0.000 0.953 47 E CA -0.393 55.936 56.400 -0.118 0.000 0.778 47 E CB 1.311 30.946 29.700 -0.108 0.000 1.220 47 E HN 0.602 nan 8.360 nan 0.000 0.431 48 I N 1.338 121.859 120.570 -0.082 0.000 3.062 48 I HA 0.319 4.495 4.170 0.009 0.000 0.318 48 I C 0.895 176.984 176.117 -0.046 0.000 1.026 48 I CA -0.598 60.668 61.300 -0.057 0.000 1.096 48 I CB 0.919 38.887 38.000 -0.053 0.000 1.348 48 I HN 0.576 nan 8.210 nan 0.000 0.543 49 Q N 1.293 121.074 119.800 -0.033 0.000 2.361 49 Q HA 0.207 4.553 4.340 0.009 0.000 0.182 49 Q C -0.007 175.980 176.000 -0.021 0.000 0.650 49 Q CA -0.107 55.680 55.803 -0.027 0.000 0.842 49 Q CB 0.644 29.369 28.738 -0.022 0.000 1.211 49 Q HN 0.712 nan 8.270 nan 0.000 0.502 50 S N 1.291 116.982 115.700 -0.016 0.000 2.594 50 S HA 0.533 5.009 4.470 0.009 0.000 0.296 50 S C -0.551 174.044 174.600 -0.009 0.000 1.124 50 S CA -0.603 57.590 58.200 -0.011 0.000 1.011 50 S CB 1.835 65.030 63.200 -0.008 0.000 1.016 50 S HN 0.277 nan 8.310 nan 0.000 0.485 51 S N 3.693 119.389 115.700 -0.007 0.000 2.438 51 S HA 0.473 4.949 4.470 0.009 0.000 0.293 51 S C 0.370 174.969 174.600 -0.001 0.000 1.141 51 S CA -0.883 57.314 58.200 -0.004 0.000 1.080 51 S CB 1.253 64.451 63.200 -0.004 0.000 0.978 51 S HN 0.806 nan 8.310 nan 0.000 0.479 52 K N 2.902 123.302 120.400 0.001 0.000 2.079 52 K HA 0.320 4.645 4.320 0.009 0.000 0.214 52 K C 1.301 177.904 176.600 0.004 0.000 1.024 52 K CA 0.536 56.825 56.287 0.002 0.000 0.948 52 K CB -0.400 32.102 32.500 0.002 0.000 0.830 52 K HN 0.694 nan 8.250 nan 0.000 0.452 53 G N 0.346 109.149 108.800 0.005 0.000 3.392 53 G HA2 0.062 4.028 3.960 0.009 0.000 0.185 53 G HA3 0.062 4.028 3.960 0.009 0.000 0.185 53 G C -0.250 174.655 174.900 0.008 0.000 1.206 53 G CA -0.394 44.710 45.100 0.007 0.000 0.776 53 G HN 0.194 nan 8.290 nan 0.000 0.697 54 E N 0.728 120.934 120.200 0.010 0.000 2.482 54 E HA 0.047 4.402 4.350 0.009 0.000 0.200 54 E C 0.180 176.787 176.600 0.011 0.000 1.147 54 E CA 0.264 56.671 56.400 0.011 0.000 0.912 54 E CB 0.228 29.935 29.700 0.013 0.000 0.938 54 E HN 0.291 nan 8.360 nan 0.000 0.519 55 E N 0.945 121.151 120.200 0.009 0.000 2.277 55 E HA 0.423 4.779 4.350 0.009 0.000 0.266 55 E C -1.212 175.392 176.600 0.006 0.000 0.901 55 E CA -0.823 55.583 56.400 0.009 0.000 0.782 55 E CB 1.501 31.205 29.700 0.008 0.000 1.228 55 E HN -0.041 nan 8.360 nan 0.000 0.424 56 I N 1.476 122.050 120.570 0.006 0.000 2.569 56 I HA 0.180 4.355 4.170 0.009 0.000 0.290 56 I C -0.464 175.653 176.117 0.002 0.000 1.088 56 I CA -0.458 60.843 61.300 0.002 0.000 1.047 56 I CB 2.387 40.388 38.000 0.001 0.000 1.237 56 I HN 0.313 nan 8.210 nan 0.000 0.421 57 T N 5.704 120.256 114.554 -0.002 0.000 2.743 57 T HA 0.622 4.977 4.350 0.009 0.000 0.293 57 T C -0.254 174.442 174.700 -0.007 0.000 0.945 57 T CA -0.554 61.544 62.100 -0.003 0.000 1.030 57 T CB 0.705 69.570 68.868 -0.005 0.000 0.912 57 T HN 0.436 nan 8.240 nan 0.000 0.483 58 V N 0.649 120.559 119.914 -0.006 0.000 3.087 58 V HA 0.734 4.860 4.120 0.009 0.000 0.306 58 V C -0.792 175.296 176.094 -0.010 0.000 1.187 58 V CA -1.267 61.026 62.300 -0.011 0.000 0.999 58 V CB 2.229 34.046 31.823 -0.010 0.000 1.049 58 V HN 0.729 nan 8.190 nan 0.000 0.431 59 K N 1.757 122.146 120.400 -0.018 0.000 2.281 59 K HA 0.789 5.115 4.320 0.009 0.000 0.242 59 K C -1.087 175.500 176.600 -0.022 0.000 0.971 59 K CA -0.963 55.314 56.287 -0.017 0.000 0.834 59 K CB 2.164 34.653 32.500 -0.020 0.000 1.181 59 K HN 0.777 nan 8.250 nan 0.000 0.435 60 I N 1.474 122.034 120.570 -0.016 0.000 2.924 60 I HA 0.130 4.306 4.170 0.009 0.000 0.316 60 I C 1.256 177.357 176.117 -0.027 0.000 1.014 60 I CA -0.732 60.556 61.300 -0.019 0.000 1.106 60 I CB 1.656 39.656 38.000 -0.001 0.000 1.311 60 I HN 0.418 nan 8.210 nan 0.000 0.502 61 V N 1.518 121.411 119.914 -0.035 0.000 2.278 61 V HA -0.176 3.950 4.120 0.009 0.000 0.231 61 V C 2.054 178.137 176.094 -0.018 0.000 1.048 61 V CA 1.669 63.947 62.300 -0.037 0.000 1.015 61 V CB -0.289 31.501 31.823 -0.055 0.000 0.652 61 V HN 0.853 nan 8.190 nan 0.000 0.466 62 S N -0.715 114.981 115.700 -0.008 0.000 2.374 62 S HA -0.170 4.306 4.470 0.009 0.000 0.227 62 S C 1.079 175.681 174.600 0.003 0.000 1.037 62 S CA 1.521 59.723 58.200 0.003 0.000 1.024 62 S CB -0.327 62.882 63.200 0.015 0.000 0.861 62 S HN 0.678 nan 8.310 nan 0.000 0.456 63 D N -0.202 120.201 120.400 0.004 0.000 2.453 63 D HA 0.196 4.842 4.640 0.009 0.000 0.282 63 D C 0.070 176.369 176.300 -0.003 0.000 1.222 63 D CA -0.173 53.829 54.000 0.004 0.000 1.079 63 D CB 0.413 41.218 40.800 0.009 0.000 1.128 63 D HN 0.068 nan 8.370 nan 0.000 0.568 64 N N -0.201 118.498 118.700 -0.002 0.000 2.423 64 N HA -0.029 4.717 4.740 0.009 0.000 0.262 64 N C -1.057 174.451 175.510 -0.004 0.000 1.467 64 N CA -0.155 52.891 53.050 -0.006 0.000 0.847 64 N CB 0.755 39.239 38.487 -0.006 0.000 1.394 64 N HN 0.073 nan 8.380 nan 0.000 0.495 65 S N 0.936 116.636 115.700 -0.000 0.000 2.488 65 S HA 0.138 4.614 4.470 0.009 0.000 0.278 65 S C 0.336 174.937 174.600 0.001 0.000 1.259 65 S CA 0.415 58.617 58.200 0.002 0.000 1.061 65 S CB 0.180 63.383 63.200 0.006 0.000 0.910 65 S HN 0.095 nan 8.310 nan 0.000 0.491 66 T N 7.393 121.947 114.554 -0.000 0.000 2.992 66 T HA 0.241 4.597 4.350 0.009 0.000 0.299 66 T C 0.367 175.069 174.700 0.002 0.000 1.027 66 T CA -0.131 61.968 62.100 -0.001 0.000 1.001 66 T CB -0.209 68.657 68.868 -0.002 0.000 1.005 66 T HN 0.527 nan 8.240 nan 0.000 0.599 67 R N 1.187 121.690 120.500 0.005 0.000 2.532 67 R HA 0.493 4.839 4.340 0.009 0.000 0.272 67 R C 0.492 176.797 176.300 0.008 0.000 1.032 67 R CA -0.594 55.512 56.100 0.009 0.000 1.089 67 R CB 0.866 31.175 30.300 0.015 0.000 1.098 67 R HN 0.309 nan 8.270 nan 0.000 0.526 68 T N 2.052 116.612 114.554 0.010 0.000 2.947 68 T HA 0.391 4.746 4.350 0.009 0.000 0.337 68 T C -0.531 174.178 174.700 0.014 0.000 1.139 68 T CA -0.588 61.518 62.100 0.010 0.000 0.992 68 T CB 0.104 68.977 68.868 0.007 0.000 1.043 68 T HN 0.222 nan 8.240 nan 0.000 0.498 69 V N 4.834 124.758 119.914 0.017 0.000 2.975 69 V HA 0.566 4.691 4.120 0.009 0.000 0.318 69 V C 0.454 176.561 176.094 0.022 0.000 1.077 69 V CA -1.201 61.114 62.300 0.025 0.000 1.000 69 V CB 1.857 33.702 31.823 0.035 0.000 1.066 69 V HN 0.699 nan 8.190 nan 0.000 0.452 70 K N 0.729 121.146 120.400 0.027 0.000 2.098 70 K HA 0.302 4.627 4.320 0.009 0.000 0.257 70 K C 0.725 177.340 176.600 0.025 0.000 0.999 70 K CA -0.591 55.711 56.287 0.024 0.000 0.924 70 K CB 0.892 33.407 32.500 0.026 0.000 1.028 70 K HN 0.542 nan 8.250 nan 0.000 0.466 71 K N 1.168 121.580 120.400 0.020 0.000 2.555 71 K HA -0.140 4.186 4.320 0.009 0.000 0.193 71 K C 0.552 177.165 176.600 0.022 0.000 1.032 71 K CA 1.021 57.319 56.287 0.018 0.000 1.004 71 K CB 0.242 32.751 32.500 0.015 0.000 0.804 71 K HN 0.479 nan 8.250 nan 0.000 0.496 72 D N 0.623 121.040 120.400 0.028 0.000 2.490 72 D HA -0.061 4.584 4.640 0.009 0.000 0.244 72 D C 0.817 177.144 176.300 0.045 0.000 0.979 72 D CA 0.646 54.666 54.000 0.032 0.000 0.924 72 D CB 0.272 41.092 40.800 0.032 0.000 1.075 72 D HN 0.160 nan 8.370 nan 0.000 0.488 73 D N 1.252 121.686 120.400 0.057 0.000 2.384 73 D HA -0.052 4.594 4.640 0.009 0.000 0.222 73 D C 1.045 177.405 176.300 0.100 0.000 0.976 73 D CA 0.198 54.252 54.000 0.090 0.000 0.915 73 D CB 0.202 41.054 40.800 0.087 0.000 0.896 73 D HN 0.476 nan 8.370 nan 0.000 0.523 74 I N -0.736 119.871 120.570 0.061 0.000 2.436 74 I HA 0.178 4.353 4.170 0.009 0.000 0.289 74 I C -0.180 175.953 176.117 0.025 0.000 1.083 74 I CA -0.425 60.904 61.300 0.048 0.000 1.372 74 I CB 0.511 38.523 38.000 0.020 0.000 1.408 74 I HN -0.330 nan 8.210 nan 0.000 0.516 75 Q N 4.779 124.598 119.800 0.032 0.000 2.266 75 Q HA 0.390 4.735 4.340 0.009 0.000 0.261 75 Q C -0.918 175.091 176.000 0.016 0.000 0.985 75 Q CA -0.897 54.897 55.803 -0.016 0.000 0.873 75 Q CB 2.248 30.909 28.738 -0.127 0.000 1.306 75 Q HN 0.648 nan 8.270 nan 0.000 0.447 76 Q N 1.243 120.993 119.800 -0.084 0.000 2.373 76 Q HA 0.286 4.632 4.340 0.009 0.000 0.255 76 Q C -0.700 175.332 176.000 0.053 0.000 0.980 76 Q CA 0.406 56.066 55.803 -0.237 0.000 0.882 76 Q CB 0.861 29.128 28.738 -0.786 0.000 1.249 76 Q HN 0.469 nan 8.270 nan 0.000 0.438 77 M N 1.950 121.618 119.600 0.113 0.000 2.268 77 M HA 0.328 4.813 4.480 0.009 0.000 0.344 77 M C -1.125 175.566 176.300 0.652 0.000 1.106 77 M CA -0.489 55.120 55.300 0.515 0.000 1.010 77 M CB 1.029 33.753 32.600 0.208 0.000 1.649 77 M HN 0.624 nan 8.290 nan 0.000 0.443 78 N N 6.192 125.243 118.700 0.584 0.000 2.513 78 N HA 0.280 5.026 4.740 0.009 0.000 0.268 78 N C -2.476 172.973 175.510 -0.102 0.000 1.180 78 N CA -0.602 52.692 53.050 0.406 0.000 0.948 78 N CB 0.679 39.368 38.487 0.338 0.000 1.083 78 N HN 0.384 nan 8.380 nan 0.000 0.455 79 P HA 0.058 nan 4.420 nan 0.000 0.271 79 P C -2.127 174.804 177.300 -0.616 0.000 1.216 79 P CA -1.081 61.114 63.100 -1.508 0.000 0.776 79 P CB 0.807 31.988 31.700 -0.865 0.000 0.881 80 P HA -0.285 nan 4.420 nan 0.000 0.226 80 P C 1.668 178.861 177.300 -0.179 0.000 1.154 80 P CA 2.186 65.185 63.100 -0.168 0.000 0.901 80 P CB -0.195 31.451 31.700 -0.090 0.000 0.788 81 K N -1.005 119.210 120.400 -0.309 0.000 1.998 81 K HA -0.187 4.138 4.320 0.009 0.000 0.228 81 K C 1.427 177.835 176.600 -0.320 0.000 1.053 81 K CA 1.852 57.891 56.287 -0.412 0.000 0.988 81 K CB -1.120 30.922 32.500 -0.764 0.000 0.735 81 K HN 0.206 nan 8.250 nan 0.000 0.448 82 F N 2.140 122.047 119.950 -0.072 0.000 2.706 82 F HA -0.014 4.519 4.527 0.009 0.000 0.315 82 F C 0.809 176.601 175.800 -0.012 0.000 1.286 82 F CA -0.082 57.895 58.000 -0.038 0.000 1.424 82 F CB -0.266 38.715 39.000 -0.031 0.000 1.262 82 F HN -0.035 nan 8.300 nan 0.000 0.547 83 E N 0.490 120.748 120.200 0.098 0.000 2.248 83 E HA 0.178 4.534 4.350 0.009 0.000 0.272 83 E C 0.639 177.289 176.600 0.084 0.000 1.008 83 E CA -0.621 55.840 56.400 0.101 0.000 0.856 83 E CB 1.088 30.832 29.700 0.073 0.000 1.120 83 E HN 0.204 nan 8.360 nan 0.000 0.397 84 K N 0.314 120.770 120.400 0.092 0.000 2.960 84 K HA -0.249 4.077 4.320 0.009 0.000 0.259 84 K C 0.410 177.053 176.600 0.071 0.000 1.025 84 K CA 0.206 56.540 56.287 0.078 0.000 0.756 84 K CB -1.472 31.066 32.500 0.063 0.000 1.221 84 K HN 0.303 nan 8.250 nan 0.000 0.483 85 L N 1.622 122.895 121.223 0.083 0.000 2.514 85 L HA -0.043 4.302 4.340 0.009 0.000 0.280 85 L C 1.499 178.404 176.870 0.057 0.000 1.223 85 L CA 0.727 55.614 54.840 0.079 0.000 0.864 85 L CB 0.570 42.700 42.059 0.118 0.000 1.118 85 L HN 0.099 nan 8.230 nan 0.000 0.494 86 E N 1.926 122.145 120.200 0.032 0.000 1.983 86 E HA -0.125 4.231 4.350 0.009 0.000 0.202 86 E C -0.152 176.466 176.600 0.030 0.000 0.944 86 E CA 0.783 57.194 56.400 0.018 0.000 0.903 86 E CB -0.157 29.506 29.700 -0.060 0.000 0.843 86 E HN 0.760 nan 8.360 nan 0.000 0.542 87 D N 0.569 120.948 120.400 -0.036 0.000 2.382 87 D HA -0.063 4.582 4.640 0.009 0.000 0.259 87 D C 0.566 176.862 176.300 -0.006 0.000 1.224 87 D CA 0.315 54.319 54.000 0.006 0.000 0.894 87 D CB 0.803 41.564 40.800 -0.065 0.000 1.127 87 D HN 0.188 nan 8.370 nan 0.000 0.487 88 M N 3.155 122.759 119.600 0.006 0.000 2.619 88 M HA 0.001 4.486 4.480 0.009 0.000 0.251 88 M C 1.782 178.022 176.300 -0.100 0.000 1.106 88 M CA 0.229 55.502 55.300 -0.044 0.000 1.086 88 M CB 0.242 32.819 32.600 -0.038 0.000 1.465 88 M HN 0.441 nan 8.290 nan 0.000 0.506 89 A N 0.359 123.118 122.820 -0.101 0.000 2.235 89 A HA 0.003 4.329 4.320 0.009 0.000 0.208 89 A C 1.494 178.980 177.584 -0.163 0.000 1.172 89 A CA 0.803 52.754 52.037 -0.143 0.000 0.786 89 A CB -0.450 18.461 19.000 -0.148 0.000 0.804 89 A HN 0.409 nan 8.150 nan 0.000 0.479 90 N N -0.502 118.105 118.700 -0.155 0.000 2.325 90 N HA 0.142 4.887 4.740 0.009 0.000 0.182 90 N C 0.441 175.725 175.510 -0.376 0.000 1.088 90 N CA 0.168 53.111 53.050 -0.178 0.000 0.879 90 N CB -0.142 38.296 38.487 -0.081 0.000 0.983 90 N HN 0.527 nan 8.380 nan 0.000 0.471 91 M N -0.370 118.978 119.600 -0.420 0.000 2.245 91 M HA -0.059 4.426 4.480 0.009 0.000 0.312 91 M C 1.885 177.729 176.300 -0.759 0.000 1.070 91 M CA 0.553 55.419 55.300 -0.723 0.000 1.162 91 M CB 0.416 32.812 32.600 -0.340 0.000 1.448 91 M HN -0.117 nan 8.290 nan 0.000 0.446 92 T N 0.153 114.137 114.554 -0.950 0.000 2.901 92 T HA 0.083 4.439 4.350 0.009 0.000 0.252 92 T C -0.048 174.382 174.700 -0.450 0.000 1.035 92 T CA 0.820 62.556 62.100 -0.607 0.000 1.142 92 T CB 0.087 68.641 68.868 -0.524 0.000 0.869 92 T HN 0.440 nan 8.240 nan 0.000 0.442 93 Y N 0.696 120.911 120.300 -0.141 0.000 2.320 93 Y HA 0.585 5.140 4.550 0.009 0.000 0.324 93 Y C -0.131 175.693 175.900 -0.126 0.000 1.190 93 Y CA -0.933 57.127 58.100 -0.067 0.000 1.215 93 Y CB 1.063 39.538 38.460 0.026 0.000 1.221 93 Y HN 0.026 nan 8.280 nan 0.000 0.486 94 L N 4.834 126.079 121.223 0.036 0.000 2.490 94 L HA 0.338 4.684 4.340 0.009 0.000 0.256 94 L C -1.069 175.752 176.870 -0.081 0.000 1.089 94 L CA -0.580 54.221 54.840 -0.065 0.000 0.916 94 L CB 0.143 42.140 42.059 -0.104 0.000 1.188 94 L HN 0.730 nan 8.230 nan 0.000 0.476 95 N N -0.488 118.137 118.700 -0.125 0.000 3.283 95 N HA 0.414 5.160 4.740 0.009 0.000 0.338 95 N C 0.435 175.808 175.510 -0.228 0.000 1.517 95 N CA -0.833 52.117 53.050 -0.167 0.000 0.733 95 N CB 0.745 39.112 38.487 -0.201 0.000 1.797 95 N HN 0.059 nan 8.380 nan 0.000 0.637 96 E N 0.367 120.418 120.200 -0.247 0.000 1.999 96 E HA 0.069 4.425 4.350 0.009 0.000 0.194 96 E C 1.938 178.303 176.600 -0.391 0.000 0.995 96 E CA 1.897 58.182 56.400 -0.192 0.000 0.825 96 E CB -0.994 28.736 29.700 0.050 0.000 0.777 96 E HN 0.628 nan 8.360 nan 0.000 0.459 97 A N 0.846 123.137 122.820 -0.881 0.000 1.893 97 A HA -0.385 3.941 4.320 0.009 0.000 0.222 97 A C 2.400 179.308 177.584 -1.127 0.000 1.309 97 A CA 2.892 54.243 52.037 -1.144 0.000 0.681 97 A CB -1.471 16.502 19.000 -1.713 0.000 0.842 97 A HN 0.245 nan 8.150 nan 0.000 0.468 98 S N -1.384 113.664 115.700 -1.087 0.000 2.380 98 S HA -0.173 4.302 4.470 0.009 0.000 0.229 98 S C 1.892 176.248 174.600 -0.407 0.000 1.043 98 S CA 1.778 59.557 58.200 -0.701 0.000 1.038 98 S CB -0.590 62.422 63.200 -0.313 0.000 0.872 98 S HN 0.370 nan 8.310 nan 0.000 0.456 99 V N 1.948 121.669 119.914 -0.321 0.000 2.244 99 V HA -0.123 4.002 4.120 0.009 0.000 0.244 99 V C 2.297 178.284 176.094 -0.177 0.000 1.042 99 V CA 1.803 63.988 62.300 -0.193 0.000 1.006 99 V CB -0.846 30.888 31.823 -0.148 0.000 0.641 99 V HN 0.538 nan 8.190 nan 0.000 0.446 100 L N 1.209 122.319 121.223 -0.188 0.000 1.997 100 L HA -0.322 4.024 4.340 0.009 0.000 0.227 100 L C 2.141 178.941 176.870 -0.118 0.000 1.087 100 L CA 3.075 57.845 54.840 -0.116 0.000 0.797 100 L CB -1.189 40.846 42.059 -0.040 0.000 0.902 100 L HN 0.532 nan 8.230 nan 0.000 0.441 101 N N 0.001 118.564 118.700 -0.227 0.000 1.997 101 N HA -0.335 4.410 4.740 0.009 0.000 0.198 101 N C 1.880 177.396 175.510 0.010 0.000 1.063 101 N CA 2.326 55.320 53.050 -0.093 0.000 0.860 101 N CB -0.679 37.706 38.487 -0.169 0.000 1.063 101 N HN 0.595 nan 8.380 nan 0.000 0.424 102 N N -0.595 118.102 118.700 -0.005 0.000 2.314 102 N HA -0.197 4.549 4.740 0.009 0.000 0.191 102 N C 1.503 177.040 175.510 0.046 0.000 1.007 102 N CA 0.870 53.946 53.050 0.045 0.000 0.883 102 N CB -0.080 38.424 38.487 0.029 0.000 0.969 102 N HN 0.349 nan 8.380 nan 0.000 0.441 103 L N 0.044 121.276 121.223 0.015 0.000 2.127 103 L HA -0.031 4.314 4.340 0.009 0.000 0.203 103 L C 2.699 179.608 176.870 0.065 0.000 1.080 103 L CA 0.488 55.339 54.840 0.017 0.000 0.768 103 L CB -0.376 41.660 42.059 -0.038 0.000 0.924 103 L HN 0.150 nan 8.230 nan 0.000 0.444 104 R N 0.417 120.955 120.500 0.063 0.000 2.115 104 R HA -0.101 4.244 4.340 0.009 0.000 0.226 104 R C 2.111 178.521 176.300 0.182 0.000 1.100 104 R CA 1.273 57.449 56.100 0.126 0.000 0.980 104 R CB -0.243 30.119 30.300 0.102 0.000 0.875 104 R HN 0.357 nan 8.270 nan 0.000 0.445 105 G N 0.595 109.481 108.800 0.144 0.000 2.404 105 G HA2 -0.225 3.741 3.960 0.009 0.000 0.215 105 G HA3 -0.225 3.741 3.960 0.009 0.000 0.215 105 G C 1.430 176.402 174.900 0.121 0.000 1.174 105 G CA 0.297 45.479 45.100 0.137 0.000 0.780 105 G HN 0.289 nan 8.290 nan 0.000 0.537 106 R N -1.141 119.431 120.500 0.119 0.000 2.092 106 R HA -0.024 4.322 4.340 0.009 0.000 0.231 106 R C 2.297 178.670 176.300 0.122 0.000 1.119 106 R CA 1.126 57.291 56.100 0.108 0.000 0.970 106 R CB -0.523 29.841 30.300 0.107 0.000 0.864 106 R HN 0.470 nan 8.270 nan 0.000 0.440 107 Y N 1.930 122.241 120.300 0.019 0.000 2.114 107 Y HA -0.137 4.419 4.550 0.009 0.000 0.284 107 Y C 1.114 177.031 175.900 0.028 0.000 1.143 107 Y CA 1.393 59.496 58.100 0.005 0.000 1.135 107 Y CB -0.252 38.197 38.460 -0.018 0.000 0.980 107 Y HN -0.158 nan 8.280 nan 0.000 0.499 108 T N 1.939 116.563 114.554 0.118 0.000 4.729 108 T HA 0.395 4.751 4.350 0.009 0.000 0.219 108 T C 0.108 174.808 174.700 0.001 0.000 0.849 108 T CA 0.737 62.855 62.100 0.030 0.000 0.968 108 T CB -1.270 67.663 68.868 0.109 0.000 1.436 108 T HN 0.501 nan 8.240 nan 0.000 1.056 109 A N 0.018 122.805 122.820 -0.054 0.000 2.268 109 A HA 0.523 4.848 4.320 0.009 0.000 0.224 109 A C 1.429 178.995 177.584 -0.029 0.000 2.862 109 A CA 0.150 52.172 52.037 -0.025 0.000 1.769 109 A CB -0.993 18.016 19.000 0.014 0.000 0.244 109 A HN 0.937 nan 8.150 nan 0.000 0.706 110 G N -0.474 108.270 108.800 -0.093 0.000 2.413 110 G HA2 -0.284 3.681 3.960 0.009 0.000 0.259 110 G HA3 -0.284 3.681 3.960 0.009 0.000 0.259 110 G C 0.449 175.372 174.900 0.038 0.000 1.003 110 G CA 0.751 45.829 45.100 -0.037 0.000 0.629 110 G HN 1.090 nan 8.290 nan 0.000 0.548 111 L N 1.280 122.543 121.223 0.067 0.000 2.540 111 L HA 0.305 4.650 4.340 0.009 0.000 0.276 111 L C 1.591 178.533 176.870 0.120 0.000 1.212 111 L CA 1.370 56.288 54.840 0.131 0.000 0.893 111 L CB 0.577 42.711 42.059 0.124 0.000 1.138 111 L HN 0.603 nan 8.230 nan 0.000 0.491 112 I N 0.649 121.290 120.570 0.118 0.000 3.597 112 I HA 0.261 4.437 4.170 0.009 0.000 0.323 112 I C -1.066 174.685 176.117 -0.609 0.000 1.535 112 I CA -0.590 60.618 61.300 -0.153 0.000 1.028 112 I CB 0.277 38.138 38.000 -0.232 0.000 1.354 112 I HN 0.256 nan 8.210 nan 0.000 0.544 113 Y N 0.082 120.389 120.300 0.012 0.000 2.470 113 Y HA 0.774 5.330 4.550 0.009 0.000 0.341 113 Y C -0.080 175.867 175.900 0.078 0.000 1.021 113 Y CA -0.782 57.313 58.100 -0.008 0.000 1.025 113 Y CB 2.414 40.842 38.460 -0.053 0.000 1.266 113 Y HN -0.007 nan 8.280 nan 0.000 0.448 114 T N 1.296 115.958 114.554 0.181 0.000 2.840 114 T HA 0.401 4.757 4.350 0.009 0.000 0.317 114 T C -1.960 172.889 174.700 0.249 0.000 1.401 114 T CA -1.018 61.228 62.100 0.244 0.000 1.028 114 T CB 1.148 70.091 68.868 0.126 0.000 1.317 114 T HN 0.231 nan 8.240 nan 0.000 0.495 115 Y N 1.168 121.496 120.300 0.048 0.000 2.342 115 Y HA 0.571 5.127 4.550 0.010 0.000 0.338 115 Y C 0.695 176.596 175.900 0.002 0.000 0.965 115 Y CA -0.977 57.148 58.100 0.042 0.000 1.159 115 Y CB 1.762 40.242 38.460 0.033 0.000 1.157 115 Y HN 0.542 nan 8.280 nan 0.000 0.486 116 S N 3.224 118.993 115.700 0.115 0.000 2.665 116 S HA 0.516 4.992 4.470 0.009 0.000 0.230 116 S C 0.883 175.441 174.600 -0.069 0.000 1.326 116 S CA 0.333 58.538 58.200 0.008 0.000 1.055 116 S CB -0.851 62.346 63.200 -0.005 0.000 1.178 116 S HN 1.146 nan 8.310 nan 0.000 0.489 117 G N 4.005 112.778 108.800 -0.045 0.000 3.377 117 G HA2 -0.304 3.662 3.960 0.009 0.000 0.304 117 G HA3 -0.304 3.662 3.960 0.009 0.000 0.304 117 G C 0.537 175.431 174.900 -0.010 0.000 1.366 117 G CA 0.745 45.787 45.100 -0.096 0.000 1.020 117 G HN 0.627 nan 8.290 nan 0.000 0.621 118 L N 0.370 121.567 121.223 -0.044 0.000 2.445 118 L HA 0.469 4.815 4.340 0.009 0.000 0.207 118 L C 1.407 178.428 176.870 0.251 0.000 1.053 118 L CA -0.226 54.687 54.840 0.122 0.000 0.841 118 L CB -0.062 42.108 42.059 0.185 0.000 1.074 118 L HN 0.363 nan 8.230 nan 0.000 0.479 119 F N 0.506 120.430 119.950 -0.042 0.000 2.629 119 F HA -0.086 4.447 4.527 0.010 0.000 0.377 119 F C 0.616 176.344 175.800 -0.120 0.000 1.101 119 F CA -0.589 57.346 58.000 -0.110 0.000 1.301 119 F CB 0.431 39.272 39.000 -0.265 0.000 1.062 119 F HN 0.129 nan 8.300 nan 0.000 0.583 120 C N 7.464 126.786 119.300 0.037 0.000 2.281 120 C HA 0.637 5.103 4.460 0.009 0.000 0.325 120 C C 0.001 174.931 174.990 -0.100 0.000 1.282 120 C CA -0.763 58.150 59.018 -0.176 0.000 1.640 120 C CB -1.092 26.480 27.740 -0.281 0.000 2.288 120 C HN 0.699 nan 8.230 nan 0.000 0.507 121 I N 5.197 125.717 120.570 -0.084 0.000 2.566 121 I HA 0.671 4.847 4.170 0.009 0.000 0.303 121 I C 0.506 176.517 176.117 -0.177 0.000 0.983 121 I CA -0.009 61.227 61.300 -0.108 0.000 1.235 121 I CB 1.646 39.600 38.000 -0.077 0.000 1.386 121 I HN 0.891 nan 8.210 nan 0.000 0.494 122 A N 4.915 127.583 122.820 -0.254 0.000 2.547 122 A HA 0.726 5.052 4.320 0.009 0.000 0.297 122 A C -1.421 175.949 177.584 -0.358 0.000 1.056 122 A CA -0.451 51.309 52.037 -0.461 0.000 0.688 122 A CB 1.571 20.262 19.000 -0.515 0.000 1.282 122 A HN 0.349 nan 8.150 nan 0.000 0.400 123 V N 2.525 122.208 119.914 -0.386 0.000 2.555 123 V HA 0.401 4.527 4.120 0.009 0.000 0.302 123 V C 0.265 176.214 176.094 -0.243 0.000 1.038 123 V CA -1.082 61.050 62.300 -0.280 0.000 0.887 123 V CB 1.891 33.563 31.823 -0.251 0.000 0.991 123 V HN 0.933 nan 8.190 nan 0.000 0.434 124 N N 5.144 123.692 118.700 -0.252 0.000 2.468 124 N HA 0.124 4.869 4.740 0.009 0.000 0.265 124 N C -1.955 173.369 175.510 -0.310 0.000 1.199 124 N CA -1.012 51.887 53.050 -0.252 0.000 0.928 124 N CB 1.938 40.257 38.487 -0.281 0.000 1.059 124 N HN 0.297 nan 8.380 nan 0.000 0.467 125 P HA 0.063 nan 4.420 nan 0.000 0.226 125 P C -0.358 176.945 177.300 0.006 0.000 1.161 125 P CA 0.704 63.772 63.100 -0.054 0.000 0.804 125 P CB 0.091 31.803 31.700 0.019 0.000 0.829 126 Y N -1.879 118.468 120.300 0.079 0.000 4.929 126 Y HA -0.265 4.291 4.550 0.010 0.000 0.253 126 Y C 0.190 176.120 175.900 0.049 0.000 0.946 126 Y CA -0.104 58.033 58.100 0.062 0.000 1.905 126 Y CB -1.405 37.098 38.460 0.072 0.000 1.400 126 Y HN 0.176 nan 8.280 nan 0.000 0.531 127 R N 0.414 121.021 120.500 0.179 0.000 2.631 127 R HA 0.480 4.826 4.340 0.009 0.000 0.289 127 R C -0.866 175.481 176.300 0.078 0.000 1.303 127 R CA -1.035 55.132 56.100 0.112 0.000 0.989 127 R CB 0.829 31.184 30.300 0.091 0.000 1.208 127 R HN 0.156 nan 8.270 nan 0.000 0.461 128 R N 2.937 123.485 120.500 0.081 0.000 2.583 128 R HA 0.223 4.568 4.340 0.009 0.000 0.274 128 R C -0.428 175.891 176.300 0.033 0.000 0.998 128 R CA 0.139 56.290 56.100 0.084 0.000 1.081 128 R CB 0.179 30.526 30.300 0.079 0.000 0.940 128 R HN 0.480 nan 8.270 nan 0.000 0.413 129 L N 2.979 124.210 121.223 0.014 0.000 2.327 129 L HA 0.413 4.758 4.340 0.009 0.000 0.258 129 L C -1.234 175.551 176.870 -0.141 0.000 1.024 129 L CA -2.611 52.136 54.840 -0.155 0.000 0.825 129 L CB 2.174 44.045 42.059 -0.313 0.000 1.386 129 L HN 0.495 nan 8.230 nan 0.000 0.417 130 P HA -0.243 nan 4.420 nan 0.000 0.217 130 P C 1.529 178.790 177.300 -0.065 0.000 1.158 130 P CA 1.750 64.780 63.100 -0.117 0.000 0.887 130 P CB 0.257 31.870 31.700 -0.144 0.000 0.792 131 I N -2.290 118.163 120.570 -0.194 0.000 3.038 131 I HA -0.311 3.865 4.170 0.009 0.000 0.218 131 I C 0.594 176.546 176.117 -0.275 0.000 0.794 131 I CA 1.648 62.780 61.300 -0.280 0.000 1.207 131 I CB -1.614 36.048 38.000 -0.562 0.000 0.952 131 I HN 0.018 nan 8.210 nan 0.000 0.364 132 Y N 1.037 121.406 120.300 0.113 0.000 2.353 132 Y HA 0.575 5.131 4.550 0.010 0.000 0.340 132 Y C 0.208 176.234 175.900 0.211 0.000 0.972 132 Y CA -0.513 57.733 58.100 0.243 0.000 1.157 132 Y CB 1.282 39.883 38.460 0.234 0.000 1.157 132 Y HN -0.099 nan 8.280 nan 0.000 0.495 133 T N 1.155 115.914 114.554 0.342 0.000 2.853 133 T HA 0.113 4.469 4.350 0.009 0.000 0.311 133 T C 0.162 174.925 174.700 0.104 0.000 1.307 133 T CA -0.906 61.305 62.100 0.184 0.000 1.019 133 T CB 1.863 70.808 68.868 0.129 0.000 1.264 133 T HN 0.497 nan 8.240 nan 0.000 0.497 134 D N 1.136 121.564 120.400 0.047 0.000 2.182 134 D HA -0.135 4.511 4.640 0.009 0.000 0.201 134 D C 2.295 178.594 176.300 -0.003 0.000 0.986 134 D CA 1.796 55.788 54.000 -0.015 0.000 0.847 134 D CB -0.099 40.693 40.800 -0.013 0.000 0.942 134 D HN 0.576 nan 8.370 nan 0.000 0.467 135 S N 0.518 116.238 115.700 0.033 0.000 2.348 135 S HA -0.134 4.341 4.470 0.009 0.000 0.221 135 S C 2.319 176.974 174.600 0.092 0.000 1.033 135 S CA 1.060 59.286 58.200 0.044 0.000 1.010 135 S CB -0.800 62.422 63.200 0.037 0.000 0.891 135 S HN 0.087 nan 8.310 nan 0.000 0.442 136 V N 2.592 122.586 119.914 0.134 0.000 2.261 136 V HA -0.148 3.977 4.120 0.009 0.000 0.246 136 V C 2.528 178.754 176.094 0.220 0.000 1.047 136 V CA 2.053 64.501 62.300 0.248 0.000 1.015 136 V CB -0.842 31.113 31.823 0.221 0.000 0.642 136 V HN 0.520 nan 8.190 nan 0.000 0.446 137 I N 0.629 121.193 120.570 -0.010 0.000 2.248 137 I HA -0.287 3.889 4.170 0.009 0.000 0.248 137 I C 2.600 178.683 176.117 -0.056 0.000 1.107 137 I CA 1.601 62.769 61.300 -0.220 0.000 1.373 137 I CB -0.644 37.089 38.000 -0.445 0.000 1.055 137 I HN 0.305 nan 8.210 nan 0.000 0.418 138 A N 0.734 123.550 122.820 -0.006 0.000 1.969 138 A HA -0.177 4.148 4.320 0.009 0.000 0.218 138 A C 2.322 179.953 177.584 0.079 0.000 1.169 138 A CA 1.411 53.455 52.037 0.012 0.000 0.635 138 A CB -0.305 18.701 19.000 0.009 0.000 0.810 138 A HN 0.365 nan 8.150 nan 0.000 0.445 139 K N -1.388 119.114 120.400 0.170 0.000 1.995 139 K HA -0.068 4.257 4.320 0.009 0.000 0.207 139 K C 1.896 178.601 176.600 0.175 0.000 1.041 139 K CA 1.515 57.913 56.287 0.186 0.000 0.942 139 K CB -0.486 32.183 32.500 0.282 0.000 0.731 139 K HN 0.481 nan 8.250 nan 0.000 0.439 140 Y N 1.413 121.772 120.300 0.097 0.000 2.114 140 Y HA -0.159 4.397 4.550 0.010 0.000 0.282 140 Y C 0.979 176.946 175.900 0.112 0.000 1.165 140 Y CA 0.690 58.861 58.100 0.118 0.000 1.148 140 Y CB -0.677 37.904 38.460 0.201 0.000 0.972 140 Y HN -0.013 nan 8.280 nan 0.000 0.504 141 R N 1.274 121.934 120.500 0.266 0.000 4.591 141 R HA -0.078 4.268 4.340 0.009 0.000 0.174 141 R C 1.024 177.364 176.300 0.067 0.000 0.321 141 R CA 1.009 57.178 56.100 0.115 0.000 0.916 141 R CB -1.099 29.198 30.300 -0.005 0.000 0.952 141 R HN 0.667 nan 8.270 nan 0.000 0.264 142 G N 2.418 111.263 108.800 0.074 0.000 2.254 142 G HA2 -0.295 3.671 3.960 0.009 0.000 0.225 142 G HA3 -0.295 3.671 3.960 0.009 0.000 0.225 142 G C -0.226 174.692 174.900 0.031 0.000 1.003 142 G CA 0.150 45.258 45.100 0.013 0.000 0.622 142 G HN 0.545 nan 8.290 nan 0.000 0.507 143 K N 2.035 122.468 120.400 0.054 0.000 2.379 143 K HA 0.365 4.691 4.320 0.009 0.000 0.284 143 K C 1.065 177.687 176.600 0.037 0.000 1.044 143 K CA -0.263 56.034 56.287 0.017 0.000 0.974 143 K CB 0.540 33.015 32.500 -0.040 0.000 0.962 143 K HN 0.674 nan 8.250 nan 0.000 0.474 144 R N 2.278 122.786 120.500 0.013 0.000 2.738 144 R HA 0.054 4.400 4.340 0.009 0.000 0.268 144 R C 0.637 176.947 176.300 0.018 0.000 1.062 144 R CA -0.442 55.673 56.100 0.025 0.000 1.158 144 R CB 0.410 30.712 30.300 0.003 0.000 1.046 144 R HN 0.459 nan 8.270 nan 0.000 0.493 145 K N 0.651 121.081 120.400 0.050 0.000 2.044 145 K HA -0.251 4.075 4.320 0.009 0.000 0.224 145 K C 1.686 178.235 176.600 -0.086 0.000 1.056 145 K CA 2.759 59.074 56.287 0.046 0.000 0.962 145 K CB -0.925 31.618 32.500 0.073 0.000 0.730 145 K HN 0.833 nan 8.250 nan 0.000 0.453 146 T N 0.318 114.812 114.554 -0.101 0.000 3.139 146 T HA -0.059 4.297 4.350 0.009 0.000 0.267 146 T C 1.352 175.973 174.700 -0.133 0.000 1.164 146 T CA 0.847 62.864 62.100 -0.138 0.000 1.075 146 T CB -0.075 68.729 68.868 -0.106 0.000 0.904 146 T HN 0.298 nan 8.240 nan 0.000 0.540 147 E N 0.018 120.142 120.200 -0.127 0.000 2.127 147 E HA 0.310 4.666 4.350 0.009 0.000 0.191 147 E C 0.492 176.962 176.600 -0.215 0.000 0.964 147 E CA 0.374 56.689 56.400 -0.142 0.000 0.832 147 E CB 0.446 30.078 29.700 -0.114 0.000 0.790 147 E HN 0.472 nan 8.360 nan 0.000 0.465 148 I N 0.472 120.875 120.570 -0.278 0.000 2.828 148 I HA 0.253 4.429 4.170 0.009 0.000 0.302 148 I C -2.344 173.586 176.117 -0.311 0.000 1.101 148 I CA -2.776 58.272 61.300 -0.421 0.000 1.031 148 I CB 2.141 39.697 38.000 -0.741 0.000 1.231 148 I HN -0.178 nan 8.210 nan 0.000 0.427 149 P HA -0.111 nan 4.420 nan 0.000 0.278 149 P C -2.622 174.751 177.300 0.121 0.000 1.271 149 P CA -0.193 62.847 63.100 -0.099 0.000 0.860 149 P CB -0.459 31.180 31.700 -0.103 0.000 0.864 150 P HA 0.183 nan 4.420 nan 0.000 0.282 150 P C -0.763 176.807 177.300 0.450 0.000 1.262 150 P CA 0.867 64.334 63.100 0.612 0.000 0.773 150 P CB 0.424 32.444 31.700 0.533 0.000 0.879 151 H N 2.906 122.131 119.070 0.258 0.000 3.151 151 H HA 0.054 4.616 4.556 0.009 0.000 0.333 151 H C 0.241 175.439 175.328 -0.217 0.000 1.093 151 H CA -0.551 55.374 56.048 -0.205 0.000 1.342 151 H CB 1.572 31.203 29.762 -0.217 0.000 1.983 151 H HN 0.154 nan 8.280 nan 0.000 0.503 152 L N 4.566 125.437 121.223 -0.586 0.000 2.089 152 L HA -0.155 4.190 4.340 0.009 0.000 0.213 152 L C 1.695 178.493 176.870 -0.120 0.000 1.079 152 L CA 1.822 56.498 54.840 -0.273 0.000 0.758 152 L CB -1.258 40.623 42.059 -0.297 0.000 0.891 152 L HN 0.694 nan 8.230 nan 0.000 0.433 153 F N -0.934 118.995 119.950 -0.034 0.000 2.202 153 F HA -0.277 4.256 4.527 0.009 0.000 0.301 153 F C 2.394 177.976 175.800 -0.364 0.000 1.082 153 F CA 0.704 58.471 58.000 -0.388 0.000 1.313 153 F CB -0.302 38.432 39.000 -0.443 0.000 1.024 153 F HN 0.158 nan 8.300 nan 0.000 0.495 154 S N 0.361 116.169 115.700 0.180 0.000 2.353 154 S HA -0.184 4.292 4.470 0.009 0.000 0.222 154 S C 2.120 176.804 174.600 0.139 0.000 1.035 154 S CA 1.404 59.774 58.200 0.283 0.000 1.025 154 S CB -0.880 62.584 63.200 0.440 0.000 0.902 154 S HN 0.168 nan 8.310 nan 0.000 0.440 155 V N 2.660 122.618 119.914 0.073 0.000 2.324 155 V HA -0.276 3.849 4.120 0.009 0.000 0.250 155 V C 2.694 178.825 176.094 0.061 0.000 1.060 155 V CA 1.779 64.138 62.300 0.098 0.000 1.042 155 V CB -1.639 30.206 31.823 0.035 0.000 0.650 155 V HN 0.568 nan 8.190 nan 0.000 0.450 156 A N 0.131 122.854 122.820 -0.161 0.000 1.827 156 A HA -0.317 4.008 4.320 0.009 0.000 0.215 156 A C 2.224 179.849 177.584 0.067 0.000 1.212 156 A CA 2.021 53.885 52.037 -0.288 0.000 0.624 156 A CB -1.104 17.457 19.000 -0.732 0.000 0.853 156 A HN 0.513 nan 8.150 nan 0.000 0.450 157 D N -0.197 120.214 120.400 0.018 0.000 2.157 157 D HA -0.203 4.443 4.640 0.009 0.000 0.191 157 D C 1.617 178.078 176.300 0.268 0.000 1.004 157 D CA 1.646 55.863 54.000 0.361 0.000 0.854 157 D CB -0.360 40.667 40.800 0.379 0.000 0.936 157 D HN 0.432 nan 8.370 nan 0.000 0.446 158 N N 0.051 118.878 118.700 0.212 0.000 2.348 158 N HA -0.134 4.611 4.740 0.009 0.000 0.185 158 N C 1.620 177.321 175.510 0.318 0.000 1.019 158 N CA 0.989 54.176 53.050 0.229 0.000 0.880 158 N CB -0.032 38.591 38.487 0.227 0.000 0.965 158 N HN 0.242 nan 8.380 nan 0.000 0.437 159 A N 0.076 123.074 122.820 0.297 0.000 1.903 159 A HA -0.082 4.244 4.320 0.009 0.000 0.213 159 A C 2.028 179.713 177.584 0.168 0.000 1.185 159 A CA 0.366 52.465 52.037 0.103 0.000 0.628 159 A CB -0.646 18.249 19.000 -0.176 0.000 0.830 159 A HN 0.228 nan 8.150 nan 0.000 0.446 160 Y N 1.043 121.427 120.300 0.139 0.000 2.036 160 Y HA -0.288 4.268 4.550 0.010 0.000 0.273 160 Y C 2.538 178.405 175.900 -0.054 0.000 1.135 160 Y CA 2.108 60.210 58.100 0.004 0.000 1.106 160 Y CB -1.110 37.446 38.460 0.160 0.000 0.976 160 Y HN 0.466 nan 8.280 nan 0.000 0.483 161 Q N -0.115 119.806 119.800 0.202 0.000 2.224 161 Q HA -0.311 4.035 4.340 0.009 0.000 0.213 161 Q C 1.984 178.019 176.000 0.058 0.000 0.998 161 Q CA 1.759 57.596 55.803 0.058 0.000 0.895 161 Q CB -0.412 28.353 28.738 0.045 0.000 0.926 161 Q HN 0.555 nan 8.270 nan 0.000 0.417 162 N N 0.345 119.100 118.700 0.091 0.000 2.028 162 N HA -0.142 4.603 4.740 0.009 0.000 0.194 162 N C 1.687 177.171 175.510 -0.042 0.000 1.050 162 N CA 1.148 54.233 53.050 0.058 0.000 0.848 162 N CB -0.422 38.154 38.487 0.148 0.000 1.038 162 N HN 0.245 nan 8.380 nan 0.000 0.423 163 M N 1.444 120.977 119.600 -0.112 0.000 2.108 163 M HA -0.129 4.357 4.480 0.009 0.000 0.261 163 M C 1.670 177.787 176.300 -0.306 0.000 1.066 163 M CA 1.363 56.505 55.300 -0.264 0.000 1.107 163 M CB -0.288 32.072 32.600 -0.400 0.000 1.356 163 M HN -0.102 nan 8.290 nan 0.000 0.406 164 V N -0.180 119.630 119.914 -0.174 0.000 2.251 164 V HA -0.199 3.927 4.120 0.009 0.000 0.237 164 V C 2.327 178.357 176.094 -0.108 0.000 1.040 164 V CA 2.114 64.341 62.300 -0.121 0.000 1.005 164 V CB -1.525 30.317 31.823 0.031 0.000 0.645 164 V HN 0.428 nan 8.190 nan 0.000 0.458 165 T N -0.222 114.298 114.554 -0.056 0.000 2.486 165 T HA -0.177 4.179 4.350 0.009 0.000 0.257 165 T C 0.797 175.459 174.700 -0.062 0.000 1.175 165 T CA 1.612 63.684 62.100 -0.045 0.000 1.207 165 T CB -0.390 68.463 68.868 -0.024 0.000 0.864 165 T HN 0.420 nan 8.240 nan 0.000 0.405 166 D N 0.084 120.451 120.400 -0.055 0.000 2.382 166 D HA 0.134 4.780 4.640 0.009 0.000 0.240 166 D C 1.146 177.368 176.300 -0.130 0.000 1.146 166 D CA -0.094 53.872 54.000 -0.056 0.000 0.897 166 D CB 0.786 41.572 40.800 -0.023 0.000 1.197 166 D HN 0.102 nan 8.370 nan 0.000 0.432 167 R N 1.260 121.681 120.500 -0.131 0.000 2.072 167 R HA -0.088 4.258 4.340 0.009 0.000 0.221 167 R C 0.412 176.489 176.300 -0.371 0.000 1.166 167 R CA 0.668 56.615 56.100 -0.255 0.000 0.917 167 R CB -0.216 30.034 30.300 -0.083 0.000 0.815 167 R HN 0.467 nan 8.270 nan 0.000 0.444 168 E N 0.941 121.072 120.200 -0.115 0.000 2.688 168 E HA -0.154 4.202 4.350 0.009 0.000 0.274 168 E C -0.319 176.204 176.600 -0.128 0.000 1.380 168 E CA 0.747 57.130 56.400 -0.028 0.000 1.262 168 E CB 0.181 29.893 29.700 0.020 0.000 1.009 168 E HN 0.288 nan 8.360 nan 0.000 0.494 169 N N 1.056 119.677 118.700 -0.132 0.000 2.493 169 N HA 0.132 4.877 4.740 0.009 0.000 0.275 169 N C -0.616 174.774 175.510 -0.199 0.000 1.186 169 N CA -0.283 52.567 53.050 -0.332 0.000 0.978 169 N CB 0.844 38.833 38.487 -0.831 0.000 1.184 169 N HN 0.251 nan 8.380 nan 0.000 0.487 170 Q N 0.154 119.832 119.800 -0.203 0.000 2.387 170 Q HA 0.529 4.875 4.340 0.009 0.000 0.273 170 Q C -0.686 175.329 176.000 0.025 0.000 1.089 170 Q CA -0.761 55.003 55.803 -0.065 0.000 0.824 170 Q CB 2.079 30.735 28.738 -0.136 0.000 1.367 170 Q HN 0.722 nan 8.270 nan 0.000 0.443 171 S N -1.157 114.585 115.700 0.069 0.000 2.549 171 S HA 0.584 5.060 4.470 0.009 0.000 0.280 171 S C -0.765 173.841 174.600 0.011 0.000 1.109 171 S CA -0.834 57.434 58.200 0.113 0.000 0.905 171 S CB 1.610 64.875 63.200 0.108 0.000 1.081 171 S HN 0.676 nan 8.310 nan 0.000 0.477 172 C N 4.695 123.992 119.300 -0.005 0.000 3.002 172 C HA 0.445 4.910 4.460 0.009 0.000 0.248 172 C C -0.420 174.513 174.990 -0.095 0.000 1.153 172 C CA -0.759 58.227 59.018 -0.053 0.000 1.502 172 C CB -1.699 26.017 27.740 -0.040 0.000 1.805 172 C HN 0.902 nan 8.230 nan 0.000 0.450 173 L N 5.697 126.811 121.223 -0.182 0.000 2.562 173 L HA 0.292 4.638 4.340 0.009 0.000 0.271 173 L C 0.097 176.919 176.870 -0.080 0.000 1.167 173 L CA 0.884 55.650 54.840 -0.123 0.000 0.917 173 L CB -0.019 42.008 42.059 -0.053 0.000 1.187 173 L HN 0.524 nan 8.230 nan 0.000 0.482 174 I N 3.528 124.046 120.570 -0.086 0.000 2.441 174 I HA 0.524 4.699 4.170 0.009 0.000 0.295 174 I C 0.315 176.371 176.117 -0.102 0.000 0.994 174 I CA -0.209 61.039 61.300 -0.087 0.000 1.144 174 I CB 2.200 40.156 38.000 -0.074 0.000 1.314 174 I HN 0.688 nan 8.210 nan 0.000 0.445 175 T N 0.989 115.473 114.554 -0.117 0.000 2.754 175 T HA 0.881 5.237 4.350 0.009 0.000 0.296 175 T C -0.399 174.235 174.700 -0.110 0.000 1.205 175 T CA -0.808 61.224 62.100 -0.114 0.000 1.009 175 T CB 1.975 70.767 68.868 -0.126 0.000 1.368 175 T HN 1.181 nan 8.240 nan 0.000 0.509 176 G N 0.559 109.306 108.800 -0.090 0.000 3.088 176 G HA2 0.242 4.208 3.960 0.009 0.000 0.620 176 G HA3 0.242 4.208 3.960 0.009 0.000 0.620 176 G C -0.853 174.020 174.900 -0.045 0.000 1.375 176 G CA -0.962 44.093 45.100 -0.076 0.000 1.016 176 G HN 0.951 nan 8.290 nan 0.000 0.590 177 E N 1.040 121.228 120.200 -0.019 0.000 2.975 177 E HA 0.029 4.385 4.350 0.009 0.000 0.269 177 E C 1.226 177.828 176.600 0.003 0.000 0.905 177 E CA 0.945 57.350 56.400 0.009 0.000 0.967 177 E CB 0.482 30.204 29.700 0.037 0.000 0.925 177 E HN 0.480 nan 8.360 nan 0.000 0.507 178 S N 2.705 118.410 115.700 0.008 0.000 3.237 178 S HA 0.034 4.510 4.470 0.009 0.000 0.255 178 S C 0.862 175.479 174.600 0.030 0.000 1.127 178 S CA 0.451 58.659 58.200 0.012 0.000 1.254 178 S CB -0.469 62.740 63.200 0.015 0.000 1.022 178 S HN 0.627 nan 8.310 nan 0.000 0.477 179 G N -0.770 108.050 108.800 0.034 0.000 3.695 179 G HA2 0.504 4.470 3.960 0.009 0.000 0.277 179 G HA3 0.504 4.470 3.960 0.009 0.000 0.277 179 G C 0.516 175.453 174.900 0.063 0.000 1.001 179 G CA 0.306 45.441 45.100 0.059 0.000 0.837 179 G HN 0.476 nan 8.290 nan 0.000 0.492 180 A N -0.583 122.251 122.820 0.022 0.000 2.508 180 A HA 0.546 4.871 4.320 0.009 0.000 0.250 180 A C 1.751 179.326 177.584 -0.016 0.000 1.208 180 A CA 0.980 53.005 52.037 -0.019 0.000 0.960 180 A CB -0.036 18.932 19.000 -0.054 0.000 1.099 180 A HN 1.444 nan 8.150 nan 0.000 0.542 181 G N 1.241 110.048 108.800 0.013 0.000 2.283 181 G HA2 -0.390 3.576 3.960 0.009 0.000 0.280 181 G HA3 -0.390 3.576 3.960 0.009 0.000 0.280 181 G C 0.919 175.811 174.900 -0.013 0.000 1.029 181 G CA 1.136 46.243 45.100 0.012 0.000 0.840 181 G HN 0.769 nan 8.290 nan 0.000 0.505 182 K N -0.111 120.273 120.400 -0.027 0.000 2.242 182 K HA -0.255 4.071 4.320 0.009 0.000 0.206 182 K C 2.634 179.212 176.600 -0.036 0.000 1.045 182 K CA 2.515 58.776 56.287 -0.042 0.000 0.930 182 K CB -0.451 32.018 32.500 -0.052 0.000 0.726 182 K HN 0.666 nan 8.250 nan 0.000 0.462 183 T N -1.364 113.176 114.554 -0.024 0.000 2.701 183 T HA -0.176 4.180 4.350 0.009 0.000 0.263 183 T C 1.829 176.514 174.700 -0.024 0.000 1.040 183 T CA 1.313 63.402 62.100 -0.018 0.000 1.147 183 T CB -0.383 68.484 68.868 -0.002 0.000 0.865 183 T HN 0.443 nan 8.240 nan 0.000 0.426 184 E N 1.445 121.628 120.200 -0.027 0.000 2.070 184 E HA -0.193 4.163 4.350 0.009 0.000 0.197 184 E C 2.331 178.884 176.600 -0.079 0.000 1.004 184 E CA 1.643 58.011 56.400 -0.053 0.000 0.805 184 E CB -0.275 29.394 29.700 -0.052 0.000 0.744 184 E HN 0.660 nan 8.360 nan 0.000 0.451 185 S N 0.163 115.829 115.700 -0.058 0.000 2.383 185 S HA -0.186 4.290 4.470 0.009 0.000 0.229 185 S C 2.070 176.637 174.600 -0.056 0.000 1.030 185 S CA 1.734 59.903 58.200 -0.053 0.000 1.002 185 S CB -0.714 62.466 63.200 -0.034 0.000 0.829 185 S HN 0.340 nan 8.310 nan 0.000 0.467 186 T N 2.437 116.964 114.554 -0.044 0.000 2.708 186 T HA -0.091 4.265 4.350 0.009 0.000 0.266 186 T C 1.754 176.443 174.700 -0.019 0.000 1.037 186 T CA 1.467 63.548 62.100 -0.032 0.000 1.146 186 T CB -0.306 68.552 68.868 -0.017 0.000 0.865 186 T HN 0.385 nan 8.240 nan 0.000 0.435 187 K N 1.065 121.452 120.400 -0.021 0.000 2.015 187 K HA -0.212 4.113 4.320 0.009 0.000 0.220 187 K C 2.389 178.994 176.600 0.008 0.000 1.055 187 K CA 1.726 58.008 56.287 -0.009 0.000 0.951 187 K CB -0.195 32.284 32.500 -0.034 0.000 0.725 187 K HN 0.070 nan 8.250 nan 0.000 0.449 188 K N 0.451 120.839 120.400 -0.021 0.000 2.052 188 K HA -0.194 4.132 4.320 0.009 0.000 0.215 188 K C 1.921 178.597 176.600 0.127 0.000 1.053 188 K CA 1.618 57.943 56.287 0.062 0.000 0.934 188 K CB -0.823 31.664 32.500 -0.022 0.000 0.717 188 K HN -0.006 nan 8.250 nan 0.000 0.450 189 V N 0.868 120.779 119.914 -0.006 0.000 2.439 189 V HA -0.276 3.850 4.120 0.009 0.000 0.253 189 V C 2.020 177.999 176.094 -0.192 0.000 1.074 189 V CA 1.978 64.170 62.300 -0.180 0.000 1.076 189 V CB -0.523 31.146 31.823 -0.256 0.000 0.664 189 V HN 0.282 nan 8.190 nan 0.000 0.461 190 I N -1.897 118.704 120.570 0.051 0.000 2.628 190 I HA -0.122 4.054 4.170 0.009 0.000 0.255 190 I C 2.413 178.675 176.117 0.241 0.000 1.119 190 I CA 0.839 62.283 61.300 0.239 0.000 1.448 190 I CB -0.282 37.843 38.000 0.207 0.000 1.133 190 I HN 0.202 nan 8.210 nan 0.000 0.438 191 M N 0.045 119.746 119.600 0.169 0.000 2.116 191 M HA -0.317 4.169 4.480 0.009 0.000 0.255 191 M C 2.461 178.865 176.300 0.174 0.000 1.075 191 M CA 2.336 57.723 55.300 0.146 0.000 1.087 191 M CB -0.488 32.194 32.600 0.137 0.000 1.340 191 M HN 0.281 nan 8.290 nan 0.000 0.402 192 Y N -0.820 119.529 120.300 0.082 0.000 2.337 192 Y HA -0.060 4.496 4.550 0.009 0.000 0.293 192 Y C 1.578 177.602 175.900 0.206 0.000 1.123 192 Y CA 1.104 59.225 58.100 0.035 0.000 1.201 192 Y CB -0.274 38.175 38.460 -0.019 0.000 1.011 192 Y HN 0.101 nan 8.280 nan 0.000 0.545 193 F N -0.923 119.230 119.950 0.339 0.000 2.771 193 F HA -0.009 4.524 4.527 0.009 0.000 0.299 193 F C 1.759 177.641 175.800 0.136 0.000 1.177 193 F CA 0.204 58.344 58.000 0.233 0.000 1.450 193 F CB 0.184 39.296 39.000 0.186 0.000 1.114 193 F HN 0.261 nan 8.300 nan 0.000 0.587 194 A N -0.193 122.792 122.820 0.274 0.000 1.852 194 A HA 0.132 4.457 4.320 0.009 0.000 0.205 194 A C 1.659 179.286 177.584 0.071 0.000 1.757 194 A CA -0.346 51.774 52.037 0.138 0.000 1.088 194 A CB -0.090 18.971 19.000 0.102 0.000 1.079 194 A HN 0.107 nan 8.150 nan 0.000 0.524 195 R N 0.478 120.988 120.500 0.016 0.000 2.421 195 R HA -0.039 4.307 4.340 0.009 0.000 0.208 195 R C 0.915 177.161 176.300 -0.091 0.000 1.103 195 R CA 1.283 57.349 56.100 -0.055 0.000 1.065 195 R CB -0.296 29.936 30.300 -0.114 0.000 0.839 195 R HN 0.589 nan 8.270 nan 0.000 0.480 196 V N -6.598 113.311 119.914 -0.008 0.000 3.432 196 V HA 0.414 4.540 4.120 0.009 0.000 0.290 196 V C 0.849 177.130 176.094 0.312 0.000 1.591 196 V CA 0.397 62.740 62.300 0.071 0.000 1.069 196 V CB 0.926 32.735 31.823 -0.024 0.000 0.892 196 V HN 0.039 nan 8.190 nan 0.000 0.436 197 A N 0.103 123.050 122.820 0.211 0.000 2.348 197 A HA 0.874 5.200 4.320 0.009 0.000 0.224 197 A C 1.745 179.407 177.584 0.130 0.000 1.227 197 A CA 1.034 53.180 52.037 0.181 0.000 0.885 197 A CB 0.270 19.328 19.000 0.096 0.000 0.933 197 A HN 1.174 nan 8.150 nan 0.000 0.506 198 A N -1.428 121.448 122.820 0.093 0.000 2.377 198 A HA 0.385 4.711 4.320 0.009 0.000 0.209 198 A C 1.152 178.762 177.584 0.044 0.000 1.359 198 A CA 0.773 52.844 52.037 0.057 0.000 1.026 198 A CB -0.585 18.435 19.000 0.033 0.000 1.224 198 A HN 0.656 nan 8.150 nan 0.000 0.528 199 N N 1.132 119.857 118.700 0.042 0.000 3.243 199 N HA 0.512 5.258 4.740 0.009 0.000 0.310 199 N C 0.246 175.770 175.510 0.023 0.000 1.313 199 N CA 0.111 53.173 53.050 0.019 0.000 1.204 199 N CB -0.747 37.738 38.487 -0.005 0.000 1.483 199 N HN 0.470 nan 8.380 nan 0.000 0.553 215 L N 2.087 123.305 121.223 -0.009 0.000 2.043 215 L HA -0.117 4.229 4.340 0.009 0.000 0.212 215 L C 1.702 178.572 176.870 0.000 0.000 1.075 215 L CA 2.188 57.019 54.840 -0.016 0.000 0.752 215 L CB -1.081 40.968 42.059 -0.016 0.000 0.891 215 L HN 0.627 nan 8.230 nan 0.000 0.432 216 E N -0.085 120.125 120.200 0.017 0.000 1.997 216 E HA -0.240 4.115 4.350 0.009 0.000 0.201 216 E C 1.802 178.409 176.600 0.012 0.000 1.011 216 E CA 1.911 58.327 56.400 0.026 0.000 0.847 216 E CB -0.327 29.392 29.700 0.033 0.000 0.787 216 E HN 0.481 nan 8.360 nan 0.000 0.472 217 D N 0.422 120.828 120.400 0.009 0.000 2.127 217 D HA -0.222 4.423 4.640 0.009 0.000 0.190 217 D C 1.969 178.269 176.300 -0.001 0.000 1.000 217 D CA 1.571 55.575 54.000 0.006 0.000 0.839 217 D CB -0.145 40.659 40.800 0.007 0.000 0.955 217 D HN 0.160 nan 8.370 nan 0.000 0.446 218 Q N -0.122 119.673 119.800 -0.009 0.000 2.066 218 Q HA -0.266 4.080 4.340 0.009 0.000 0.216 218 Q C 2.337 178.321 176.000 -0.026 0.000 1.035 218 Q CA 1.746 57.537 55.803 -0.021 0.000 0.897 218 Q CB -0.489 28.228 28.738 -0.035 0.000 1.010 218 Q HN 0.469 nan 8.270 nan 0.000 0.416 219 I N 0.120 120.674 120.570 -0.027 0.000 2.756 219 I HA -0.215 3.961 4.170 0.009 0.000 0.262 219 I C 1.977 178.088 176.117 -0.011 0.000 1.225 219 I CA 0.677 61.959 61.300 -0.030 0.000 1.472 219 I CB -0.289 37.696 38.000 -0.025 0.000 1.094 219 I HN 0.243 nan 8.210 nan 0.000 0.454 220 I N 0.730 121.301 120.570 0.001 0.000 2.830 220 I HA -0.175 4.001 4.170 0.009 0.000 0.263 220 I C 2.144 178.273 176.117 0.020 0.000 1.230 220 I CA 1.079 62.387 61.300 0.013 0.000 1.480 220 I CB -0.231 37.778 38.000 0.014 0.000 1.095 220 I HN 0.306 nan 8.210 nan 0.000 0.455 221 E N 1.252 121.459 120.200 0.013 0.000 2.060 221 E HA -0.051 4.304 4.350 0.009 0.000 0.189 221 E C 2.410 179.022 176.600 0.021 0.000 0.974 221 E CA 0.946 57.360 56.400 0.023 0.000 0.808 221 E CB -0.178 29.535 29.700 0.020 0.000 0.768 221 E HN 0.407 nan 8.360 nan 0.000 0.453 222 A N 1.951 124.764 122.820 -0.011 0.000 2.032 222 A HA -0.286 4.039 4.320 0.009 0.000 0.221 222 A C 1.675 179.269 177.584 0.018 0.000 1.165 222 A CA 1.676 53.691 52.037 -0.037 0.000 0.645 222 A CB -0.715 18.229 19.000 -0.095 0.000 0.807 222 A HN 0.128 nan 8.150 nan 0.000 0.453 223 N N 0.337 119.060 118.700 0.038 0.000 2.019 223 N HA -0.162 4.584 4.740 0.009 0.000 0.198 223 N C -0.969 174.609 175.510 0.112 0.000 1.065 223 N CA 2.098 55.193 53.050 0.075 0.000 0.881 223 N CB -1.706 36.818 38.487 0.063 0.000 1.079 223 N HN 0.218 nan 8.380 nan 0.000 0.460 224 P HA -0.124 nan 4.420 nan 0.000 0.228 224 P C 0.818 178.208 177.300 0.150 0.000 1.143 224 P CA 0.610 63.780 63.100 0.116 0.000 0.771 224 P CB 0.118 31.876 31.700 0.097 0.000 0.764 225 V N -1.169 118.859 119.914 0.190 0.000 2.326 225 V HA -0.139 3.986 4.120 0.009 0.000 0.237 225 V C 2.230 178.705 176.094 0.636 0.000 1.044 225 V CA 1.387 63.898 62.300 0.351 0.000 1.035 225 V CB -1.119 30.808 31.823 0.173 0.000 0.675 225 V HN 0.018 nan 8.190 nan 0.000 0.470 226 L N -0.100 121.357 121.223 0.390 0.000 2.362 226 L HA -0.088 4.258 4.340 0.009 0.000 0.219 226 L C 2.167 179.296 176.870 0.432 0.000 1.134 226 L CA 1.258 56.346 54.840 0.414 0.000 0.807 226 L CB -0.549 41.601 42.059 0.151 0.000 0.927 226 L HN 0.430 nan 8.230 nan 0.000 0.447 227 E N 0.051 120.431 120.200 0.299 0.000 2.489 227 E HA 0.039 4.395 4.350 0.009 0.000 0.193 227 E C 1.616 178.322 176.600 0.177 0.000 1.057 227 E CA 0.404 56.940 56.400 0.226 0.000 0.866 227 E CB 0.262 30.065 29.700 0.172 0.000 0.916 227 E HN 0.436 nan 8.360 nan 0.000 0.500 228 A N -0.430 122.440 122.820 0.083 0.000 2.431 228 A HA 0.237 4.562 4.320 0.009 0.000 0.239 228 A C 0.792 178.131 177.584 -0.407 0.000 1.230 228 A CA -0.169 51.797 52.037 -0.119 0.000 0.928 228 A CB 0.144 18.996 19.000 -0.246 0.000 1.006 228 A HN 0.059 nan 8.150 nan 0.000 0.520 229 F N -0.806 119.130 119.950 -0.023 0.000 2.453 229 F HA 0.322 4.855 4.527 0.011 0.000 0.239 229 F C 2.411 177.911 175.800 -0.500 0.000 1.013 229 F CA 0.768 58.654 58.000 -0.191 0.000 1.025 229 F CB -0.761 38.262 39.000 0.039 0.000 1.214 229 F HN 0.090 nan 8.300 nan 0.000 0.681 230 G N -0.260 108.483 108.800 -0.096 0.000 2.776 230 G HA2 -0.059 3.907 3.960 0.009 0.000 0.209 230 G HA3 -0.059 3.907 3.960 0.009 0.000 0.209 230 G C -0.348 174.706 174.900 0.256 0.000 1.145 230 G CA 0.237 45.223 45.100 -0.189 0.000 0.791 230 G HN 0.184 nan 8.290 nan 0.000 0.530 231 N N 0.249 119.037 118.700 0.146 0.000 2.479 231 N HA 0.638 5.383 4.740 0.009 0.000 0.261 231 N C -0.295 175.080 175.510 -0.224 0.000 0.979 231 N CA -0.121 52.977 53.050 0.080 0.000 0.930 231 N CB 1.944 40.507 38.487 0.127 0.000 1.172 231 N HN 0.194 nan 8.380 nan 0.000 0.499 232 A N 1.206 123.923 122.820 -0.171 0.000 2.437 232 A HA 0.571 4.896 4.320 0.009 0.000 0.292 232 A C -0.643 176.857 177.584 -0.140 0.000 1.173 232 A CA -0.719 51.077 52.037 -0.402 0.000 0.785 232 A CB 1.175 20.029 19.000 -0.244 0.000 1.351 232 A HN 0.368 nan 8.150 nan 0.000 0.431 233 K N 1.811 122.181 120.400 -0.050 0.000 2.171 233 K HA 0.169 4.494 4.320 0.009 0.000 0.274 233 K C -0.331 176.222 176.600 -0.079 0.000 1.110 233 K CA 0.242 56.523 56.287 -0.010 0.000 0.952 233 K CB -0.314 32.187 32.500 0.002 0.000 1.309 233 K HN 0.730 nan 8.250 nan 0.000 0.414 234 T N 2.027 116.539 114.554 -0.070 0.000 2.771 234 T HA 0.094 4.450 4.350 0.009 0.000 0.291 234 T C 1.722 176.367 174.700 -0.091 0.000 0.954 234 T CA -0.589 61.457 62.100 -0.091 0.000 1.045 234 T CB 0.919 69.746 68.868 -0.067 0.000 0.917 234 T HN 0.353 nan 8.240 nan 0.000 0.484 235 V N 5.114 124.960 119.914 -0.114 0.000 2.406 235 V HA -0.313 3.812 4.120 0.009 0.000 0.243 235 V C 2.000 178.032 176.094 -0.103 0.000 1.103 235 V CA 2.370 64.600 62.300 -0.117 0.000 1.094 235 V CB -0.607 31.121 31.823 -0.159 0.000 0.922 235 V HN 0.876 nan 8.190 nan 0.000 0.467 236 R N 0.625 121.056 120.500 -0.114 0.000 3.863 236 R HA 0.401 4.747 4.340 0.009 0.000 0.304 236 R C 0.106 176.391 176.300 -0.025 0.000 1.485 236 R CA 0.132 56.188 56.100 -0.073 0.000 1.355 236 R CB -0.164 30.082 30.300 -0.090 0.000 1.457 236 R HN 0.751 nan 8.270 nan 0.000 0.669 237 N N 0.182 118.869 118.700 -0.021 0.000 6.677 237 N HA -0.067 4.678 4.740 0.009 0.000 0.116 237 N C -0.085 175.430 175.510 0.009 0.000 0.991 237 N CA -0.282 52.769 53.050 0.002 0.000 1.164 237 N CB 0.368 38.865 38.487 0.017 0.000 1.410 237 N HN 0.076 nan 8.380 nan 0.000 1.237 238 N N 1.432 120.139 118.700 0.012 0.000 2.322 238 N HA -0.172 4.574 4.740 0.009 0.000 0.189 238 N C -0.216 175.352 175.510 0.096 0.000 1.012 238 N CA 1.236 54.302 53.050 0.026 0.000 0.880 238 N CB -0.192 38.298 38.487 0.004 0.000 0.967 238 N HN 0.590 nan 8.380 nan 0.000 0.439 239 N N -0.075 118.677 118.700 0.088 0.000 2.549 239 N HA 0.040 4.785 4.740 0.009 0.000 0.290 239 N C -2.092 173.458 175.510 0.067 0.000 1.122 239 N CA -0.057 53.070 53.050 0.128 0.000 0.885 239 N CB 1.654 40.234 38.487 0.155 0.000 1.455 239 N HN -0.189 nan 8.380 nan 0.000 0.521 240 S N 2.142 117.869 115.700 0.044 0.000 2.672 240 S HA 0.381 4.857 4.470 0.009 0.000 0.291 240 S C -0.801 173.832 174.600 0.055 0.000 1.145 240 S CA -0.387 57.835 58.200 0.037 0.000 1.013 240 S CB 0.626 63.842 63.200 0.026 0.000 1.017 240 S HN 0.411 nan 8.310 nan 0.000 0.487 241 S N 4.815 120.536 115.700 0.035 0.000 2.571 241 S HA 0.149 4.625 4.470 0.009 0.000 0.297 241 S C 0.474 175.105 174.600 0.051 0.000 1.234 241 S CA -0.326 57.892 58.200 0.030 0.000 1.120 241 S CB -0.018 63.064 63.200 -0.197 0.000 0.923 241 S HN 0.536 nan 8.310 nan 0.000 0.504 242 R N 3.033 123.677 120.500 0.240 0.000 3.534 242 R HA 0.328 4.674 4.340 0.009 0.000 0.312 242 R C -0.529 175.957 176.300 0.310 0.000 1.419 242 R CA -0.224 56.003 56.100 0.212 0.000 1.262 242 R CB -1.254 29.189 30.300 0.237 0.000 1.437 242 R HN 0.672 nan 8.270 nan 0.000 0.627 243 F N -4.142 115.808 119.950 -0.000 0.000 2.799 243 F HA 0.618 5.151 4.527 0.010 0.000 0.316 243 F C -0.762 175.070 175.800 0.053 0.000 1.155 243 F CA -1.800 56.205 58.000 0.008 0.000 0.916 243 F CB 0.696 39.687 39.000 -0.015 0.000 1.294 243 F HN -0.071 nan 8.300 nan 0.000 0.447 244 G N 2.055 110.881 108.800 0.043 0.000 2.533 244 G HA2 0.544 4.510 3.960 0.009 0.000 0.310 244 G HA3 0.544 4.510 3.960 0.009 0.000 0.310 244 G C -1.494 173.504 174.900 0.164 0.000 1.266 244 G CA -1.059 44.011 45.100 -0.050 0.000 0.967 244 G HN 0.851 nan 8.290 nan 0.000 0.493 245 K N 1.101 121.493 120.400 -0.013 0.000 2.143 245 K HA 0.538 4.864 4.320 0.009 0.000 0.272 245 K C -1.213 175.534 176.600 0.244 0.000 1.001 245 K CA -0.943 55.452 56.287 0.181 0.000 0.915 245 K CB 1.838 34.384 32.500 0.076 0.000 1.047 245 K HN 0.202 nan 8.250 nan 0.000 0.458 246 F N 4.373 124.410 119.950 0.147 0.000 2.597 246 F HA 0.342 4.874 4.527 0.009 0.000 0.336 246 F C -0.489 175.334 175.800 0.039 0.000 1.432 246 F CA -2.297 55.754 58.000 0.085 0.000 1.120 246 F CB -0.293 38.836 39.000 0.214 0.000 1.253 246 F HN 0.515 nan 8.300 nan 0.000 0.546 247 I N 3.807 124.496 120.570 0.197 0.000 3.376 247 I HA -0.152 4.024 4.170 0.009 0.000 0.308 247 I C 0.710 176.779 176.117 -0.082 0.000 1.159 247 I CA 0.746 62.064 61.300 0.030 0.000 1.914 247 I CB -0.450 37.589 38.000 0.064 0.000 1.634 247 I HN 0.139 nan 8.210 nan 0.000 0.913 248 R N 6.699 126.990 120.500 -0.348 0.000 2.401 248 R HA 0.416 4.762 4.340 0.009 0.000 0.299 248 R C -0.279 175.867 176.300 -0.258 0.000 1.064 248 R CA -0.168 55.636 56.100 -0.493 0.000 1.000 248 R CB 0.921 30.650 30.300 -0.952 0.000 0.973 248 R HN 0.522 nan 8.270 nan 0.000 0.438 249 I N 4.638 125.130 120.570 -0.128 0.000 2.428 249 I HA 0.172 4.348 4.170 0.009 0.000 0.279 249 I C 0.616 176.661 176.117 -0.120 0.000 1.040 249 I CA -0.534 60.703 61.300 -0.105 0.000 1.171 249 I CB 0.485 38.481 38.000 -0.007 0.000 1.312 249 I HN 0.458 nan 8.210 nan 0.000 0.470 250 H N 5.283 124.259 119.070 -0.156 0.000 2.730 250 H HA 0.340 4.902 4.556 0.009 0.000 0.376 250 H C -1.014 174.044 175.328 -0.449 0.000 1.299 250 H CA 0.720 56.738 56.048 -0.050 0.000 1.447 250 H CB 1.071 30.785 29.762 -0.080 0.000 1.493 250 H HN 0.277 nan 8.280 nan 0.000 0.619 251 F N -1.343 118.706 119.950 0.166 0.000 2.596 251 F HA 0.322 4.854 4.527 0.010 0.000 0.311 251 F C 0.777 176.656 175.800 0.132 0.000 1.116 251 F CA -0.645 57.405 58.000 0.083 0.000 0.957 251 F CB 1.540 40.548 39.000 0.013 0.000 1.250 251 F HN 0.585 nan 8.300 nan 0.000 0.444 252 G N 1.626 110.540 108.800 0.190 0.000 2.508 252 G HA2 0.363 4.328 3.960 0.009 0.000 0.278 252 G HA3 0.363 4.328 3.960 0.009 0.000 0.278 252 G C -1.973 173.047 174.900 0.199 0.000 1.389 252 G CA -1.228 43.951 45.100 0.131 0.000 1.050 252 G HN 0.424 nan 8.290 nan 0.000 0.522 253 P HA -0.026 nan 4.420 nan 0.000 0.218 253 P C 0.902 178.290 177.300 0.147 0.000 1.146 253 P CA 1.662 64.849 63.100 0.145 0.000 0.813 253 P CB 0.132 31.878 31.700 0.077 0.000 0.778 254 T N -4.924 109.707 114.554 0.128 0.000 3.466 254 T HA 0.522 4.878 4.350 0.009 0.000 0.297 254 T C 0.728 175.511 174.700 0.138 0.000 1.640 254 T CA -0.411 61.756 62.100 0.112 0.000 1.631 254 T CB -0.382 68.534 68.868 0.080 0.000 0.928 254 T HN 0.209 nan 8.240 nan 0.000 0.688 255 G N 3.017 111.919 108.800 0.169 0.000 2.385 255 G HA2 -0.287 3.679 3.960 0.009 0.000 0.284 255 G HA3 -0.287 3.679 3.960 0.009 0.000 0.284 255 G C -0.200 174.870 174.900 0.283 0.000 0.899 255 G CA 0.218 45.446 45.100 0.213 0.000 1.204 255 G HN 0.902 nan 8.290 nan 0.000 0.486 256 K N 0.361 120.910 120.400 0.248 0.000 2.307 256 K HA 0.582 4.908 4.320 0.009 0.000 0.263 256 K C 0.455 177.001 176.600 -0.090 0.000 0.973 256 K CA -1.188 55.160 56.287 0.102 0.000 0.846 256 K CB 2.105 34.629 32.500 0.040 0.000 1.100 256 K HN 0.168 nan 8.250 nan 0.000 0.438 257 I N 3.104 123.535 120.570 -0.231 0.000 2.752 257 I HA -0.163 4.013 4.170 0.009 0.000 0.286 257 I C 1.298 177.205 176.117 -0.349 0.000 1.180 257 I CA 0.251 61.205 61.300 -0.578 0.000 1.404 257 I CB 0.727 38.520 38.000 -0.345 0.000 1.389 257 I HN 0.935 nan 8.210 nan 0.000 0.549 258 A N 5.312 127.907 122.820 -0.375 0.000 2.072 258 A HA 0.421 4.747 4.320 0.009 0.000 0.216 258 A C 1.151 178.620 177.584 -0.192 0.000 1.156 258 A CA 1.067 52.976 52.037 -0.213 0.000 0.701 258 A CB -0.094 18.802 19.000 -0.174 0.000 0.816 258 A HN 0.959 nan 8.150 nan 0.000 0.458 259 G N -2.334 106.331 108.800 -0.224 0.000 2.334 259 G HA2 0.552 4.518 3.960 0.009 0.000 0.249 259 G HA3 0.552 4.518 3.960 0.009 0.000 0.249 259 G C -0.997 173.809 174.900 -0.157 0.000 1.327 259 G CA -0.114 44.886 45.100 -0.167 0.000 0.979 259 G HN 1.450 nan 8.290 nan 0.000 0.471 260 A N 0.385 123.134 122.820 -0.119 0.000 2.408 260 A HA 0.748 5.074 4.320 0.009 0.000 0.295 260 A C -1.042 176.482 177.584 -0.101 0.000 1.040 260 A CA 0.388 52.367 52.037 -0.096 0.000 0.707 260 A CB 1.591 20.545 19.000 -0.078 0.000 1.235 260 A HN 1.294 nan 8.150 nan 0.000 0.418 261 D N 2.290 122.635 120.400 -0.092 0.000 2.527 261 D HA 0.729 5.375 4.640 0.009 0.000 0.233 261 D C -0.962 175.252 176.300 -0.142 0.000 1.063 261 D CA -0.251 53.676 54.000 -0.122 0.000 0.880 261 D CB 1.787 42.526 40.800 -0.101 0.000 1.457 261 D HN 0.414 nan 8.370 nan 0.000 0.475 262 I N -0.043 120.438 120.570 -0.148 0.000 3.206 262 I HA 0.482 4.657 4.170 0.009 0.000 0.313 262 I C -0.255 175.792 176.117 -0.118 0.000 1.103 262 I CA -0.866 60.367 61.300 -0.112 0.000 0.985 262 I CB 2.457 40.403 38.000 -0.091 0.000 1.240 262 I HN 0.397 nan 8.210 nan 0.000 0.464 263 E N 0.636 120.817 120.200 -0.032 0.000 2.372 263 E HA 0.354 4.710 4.350 0.009 0.000 0.279 263 E C -1.609 175.013 176.600 0.036 0.000 0.946 263 E CA -0.615 55.744 56.400 -0.068 0.000 0.769 263 E CB 2.646 32.290 29.700 -0.093 0.000 1.230 263 E HN 0.683 nan 8.360 nan 0.000 0.442 264 T N -0.037 114.485 114.554 -0.053 0.000 2.821 264 T HA 0.463 4.818 4.350 0.009 0.000 0.307 264 T C -0.708 174.003 174.700 0.017 0.000 1.034 264 T CA -0.570 61.633 62.100 0.170 0.000 0.953 264 T CB -0.150 68.883 68.868 0.275 0.000 0.968 264 T HN 0.199 nan 8.240 nan 0.000 0.462 265 Y N 2.125 122.536 120.300 0.184 0.000 2.301 265 Y HA 0.409 4.964 4.550 0.009 0.000 0.325 265 Y C 1.179 177.113 175.900 0.057 0.000 1.203 265 Y CA -1.551 56.590 58.100 0.069 0.000 1.255 265 Y CB 0.686 39.145 38.460 -0.002 0.000 1.232 265 Y HN 0.564 nan 8.280 nan 0.000 0.501 266 L N 4.213 125.499 121.223 0.107 0.000 4.236 266 L HA -0.228 4.118 4.340 0.009 0.000 0.510 266 L C -0.605 176.299 176.870 0.056 0.000 0.886 266 L CA 0.215 55.053 54.840 -0.003 0.000 0.630 266 L CB -0.720 41.221 42.059 -0.196 0.000 0.951 266 L HN 0.404 nan 8.230 nan 0.000 0.983 267 L N 4.442 125.696 121.223 0.052 0.000 2.329 267 L HA 0.451 4.796 4.340 0.009 0.000 0.279 267 L C 0.223 177.098 176.870 0.008 0.000 1.014 267 L CA -0.376 54.493 54.840 0.048 0.000 0.814 267 L CB 1.734 43.695 42.059 -0.163 0.000 1.257 267 L HN 0.465 nan 8.230 nan 0.000 0.424 268 E N 3.246 123.471 120.200 0.041 0.000 2.217 268 E HA 0.147 4.502 4.350 0.009 0.000 0.279 268 E C -0.404 176.213 176.600 0.028 0.000 1.068 268 E CA -0.338 56.077 56.400 0.025 0.000 0.882 268 E CB 0.720 30.426 29.700 0.009 0.000 1.039 268 E HN 0.790 nan 8.360 nan 0.000 0.418 269 K N 2.424 122.829 120.400 0.008 0.000 2.186 269 K HA -0.043 4.282 4.320 0.009 0.000 0.202 269 K C 1.848 178.418 176.600 -0.050 0.000 1.052 269 K CA 0.698 56.985 56.287 -0.001 0.000 0.965 269 K CB 0.030 32.542 32.500 0.019 0.000 0.746 269 K HN 0.335 nan 8.250 nan 0.000 0.457 270 S N 1.925 117.605 115.700 -0.033 0.000 2.400 270 S HA -0.242 4.234 4.470 0.009 0.000 0.234 270 S C 1.869 176.397 174.600 -0.120 0.000 1.049 270 S CA 1.657 59.835 58.200 -0.037 0.000 1.039 270 S CB -0.323 62.891 63.200 0.023 0.000 0.856 270 S HN 0.355 nan 8.310 nan 0.000 0.465 271 R N 0.989 121.362 120.500 -0.212 0.000 2.303 271 R HA -0.074 4.272 4.340 0.009 0.000 0.225 271 R C 1.601 177.660 176.300 -0.402 0.000 1.114 271 R CA 0.737 56.617 56.100 -0.368 0.000 1.007 271 R CB -0.287 29.646 30.300 -0.612 0.000 0.861 271 R HN 0.299 nan 8.270 nan 0.000 0.471 272 V N -0.341 119.376 119.914 -0.329 0.000 2.283 272 V HA -0.181 3.945 4.120 0.009 0.000 0.243 272 V C 2.311 178.023 176.094 -0.637 0.000 1.039 272 V CA 2.230 64.325 62.300 -0.342 0.000 1.016 272 V CB -0.173 31.533 31.823 -0.195 0.000 0.650 272 V HN 0.664 nan 8.190 nan 0.000 0.449 273 T N -3.390 110.819 114.554 -0.576 0.000 3.037 273 T HA -0.005 4.350 4.350 0.009 0.000 0.252 273 T C 0.639 175.124 174.700 -0.358 0.000 1.073 273 T CA 0.351 61.957 62.100 -0.823 0.000 1.091 273 T CB -0.151 68.522 68.868 -0.325 0.000 0.935 273 T HN 0.320 nan 8.240 nan 0.000 0.488 274 Y N 2.896 123.018 120.300 -0.297 0.000 2.842 274 Y HA 0.633 5.188 4.550 0.009 0.000 0.334 274 Y C -0.765 175.057 175.900 -0.131 0.000 1.019 274 Y CA -2.044 55.963 58.100 -0.155 0.000 1.258 274 Y CB 0.136 38.549 38.460 -0.078 0.000 1.106 274 Y HN 0.037 nan 8.280 nan 0.000 0.545 275 Q N 3.330 122.889 119.800 -0.403 0.000 2.288 275 Q HA 0.306 4.651 4.340 0.009 0.000 0.254 275 Q C 0.007 175.645 176.000 -0.605 0.000 0.932 275 Q CA -0.186 55.362 55.803 -0.425 0.000 0.902 275 Q CB 1.177 29.807 28.738 -0.180 0.000 1.203 275 Q HN 0.686 nan 8.270 nan 0.000 0.415 276 Q N 0.145 119.600 119.800 -0.575 0.000 2.226 276 Q HA 0.187 4.533 4.340 0.009 0.000 0.171 276 Q C 0.887 176.796 176.000 -0.151 0.000 1.077 276 Q CA -0.200 55.362 55.803 -0.401 0.000 1.135 276 Q CB 0.211 28.787 28.738 -0.270 0.000 1.413 276 Q HN 0.705 nan 8.270 nan 0.000 0.589 277 S N -0.776 114.890 115.700 -0.056 0.000 2.406 277 S HA -0.035 4.440 4.470 0.009 0.000 0.228 277 S C 1.284 175.865 174.600 -0.032 0.000 1.020 277 S CA 1.238 59.426 58.200 -0.020 0.000 0.965 277 S CB -0.057 63.150 63.200 0.011 0.000 0.798 277 S HN 0.566 nan 8.310 nan 0.000 0.488 278 A N 0.092 122.881 122.820 -0.052 0.000 2.390 278 A HA 0.434 4.760 4.320 0.009 0.000 0.232 278 A C 0.055 177.591 177.584 -0.081 0.000 1.233 278 A CA -0.370 51.635 52.037 -0.054 0.000 0.907 278 A CB 0.260 19.229 19.000 -0.052 0.000 0.967 278 A HN 0.528 nan 8.150 nan 0.000 0.512 279 E N 0.930 121.064 120.200 -0.110 0.000 2.256 279 E HA 0.451 4.806 4.350 0.009 0.000 0.268 279 E C -0.497 176.012 176.600 -0.151 0.000 0.877 279 E CA -1.018 55.296 56.400 -0.143 0.000 0.757 279 E CB 1.968 31.563 29.700 -0.174 0.000 1.183 279 E HN 0.404 nan 8.360 nan 0.000 0.418 280 R N 2.553 122.967 120.500 -0.143 0.000 3.029 280 R HA 0.426 4.772 4.340 0.009 0.000 0.239 280 R C 0.293 176.519 176.300 -0.123 0.000 1.351 280 R CA -0.566 55.492 56.100 -0.071 0.000 1.052 280 R CB -0.025 30.297 30.300 0.037 0.000 1.354 280 R HN 0.406 nan 8.270 nan 0.000 0.499 281 N N -0.404 118.302 118.700 0.009 0.000 2.349 281 N HA -0.147 4.599 4.740 0.009 0.000 0.223 281 N C -0.259 175.099 175.510 -0.254 0.000 1.209 281 N CA 1.028 54.046 53.050 -0.054 0.000 0.795 281 N CB -0.355 38.429 38.487 0.496 0.000 0.837 281 N HN 0.354 nan 8.380 nan 0.000 0.350 282 Y N -0.231 120.042 120.300 -0.046 0.000 2.488 282 Y HA 0.175 4.731 4.550 0.008 0.000 0.325 282 Y C 1.679 177.385 175.900 -0.323 0.000 1.204 282 Y CA -0.602 57.307 58.100 -0.319 0.000 1.229 282 Y CB 0.431 38.661 38.460 -0.383 0.000 1.274 282 Y HN 0.357 nan 8.280 nan 0.000 0.493 283 H N 0.714 119.715 119.070 -0.115 0.000 2.387 283 H HA -0.169 4.393 4.556 0.009 0.000 0.299 283 H C 2.268 177.447 175.328 -0.247 0.000 1.099 283 H CA 1.790 57.740 56.048 -0.164 0.000 1.315 283 H CB -0.215 29.462 29.762 -0.142 0.000 1.380 283 H HN 0.740 nan 8.280 nan 0.000 0.513 284 I N 0.652 120.996 120.570 -0.378 0.000 2.113 284 I HA -0.372 3.803 4.170 0.009 0.000 0.242 284 I C 1.760 177.616 176.117 -0.434 0.000 1.057 284 I CA 1.655 62.645 61.300 -0.517 0.000 1.314 284 I CB -0.195 37.443 38.000 -0.603 0.000 1.022 284 I HN 0.061 nan 8.210 nan 0.000 0.408 285 F N -0.702 119.230 119.950 -0.029 0.000 2.333 285 F HA -0.194 4.337 4.527 0.008 0.000 0.300 285 F C 2.029 177.644 175.800 -0.308 0.000 1.083 285 F CA 0.784 58.672 58.000 -0.186 0.000 1.395 285 F CB -1.512 37.380 39.000 -0.180 0.000 1.056 285 F HN 0.118 nan 8.300 nan 0.000 0.529 286 Y N 0.756 121.009 120.300 -0.078 0.000 2.519 286 Y HA -0.076 4.484 4.550 0.016 0.000 0.287 286 Y C 2.165 177.957 175.900 -0.180 0.000 1.128 286 Y CA 0.789 58.844 58.100 -0.075 0.000 1.282 286 Y CB -0.594 37.840 38.460 -0.044 0.000 1.027 286 Y HN 0.247 nan 8.280 nan 0.000 0.551 287 Q N -1.121 118.535 119.800 -0.240 0.000 2.373 287 Q HA 0.089 4.435 4.340 0.009 0.000 0.210 287 Q C 1.810 177.241 176.000 -0.949 0.000 0.913 287 Q CA 0.684 56.224 55.803 -0.439 0.000 0.911 287 Q CB -0.057 28.406 28.738 -0.459 0.000 1.040 287 Q HN 0.388 nan 8.270 nan 0.000 0.521 288 I N 0.897 120.856 120.570 -1.018 0.000 2.286 288 I HA -0.210 3.966 4.170 0.009 0.000 0.245 288 I C 1.777 177.776 176.117 -0.197 0.000 1.104 288 I CA 0.767 61.542 61.300 -0.875 0.000 1.397 288 I CB -0.229 37.551 38.000 -0.368 0.000 1.072 288 I HN 0.357 nan 8.210 nan 0.000 0.417 289 C N 0.079 119.272 119.300 -0.178 0.000 2.481 289 C HA 0.014 4.480 4.460 0.009 0.000 0.275 289 C C 1.756 176.739 174.990 -0.013 0.000 1.419 289 C CA -0.140 58.836 59.018 -0.071 0.000 1.773 289 C CB -0.969 26.702 27.740 -0.115 0.000 1.862 289 C HN 0.359 nan 8.230 nan 0.000 0.530 290 S N 2.057 117.734 115.700 -0.038 0.000 2.565 290 S HA 0.121 4.596 4.470 0.009 0.000 0.274 290 S C 0.627 175.292 174.600 0.109 0.000 1.309 290 S CA -0.465 57.752 58.200 0.028 0.000 1.043 290 S CB 0.173 63.382 63.200 0.013 0.000 0.939 290 S HN 0.551 nan 8.310 nan 0.000 0.504 291 N N 4.080 122.842 118.700 0.103 0.000 2.944 291 N HA -0.032 4.714 4.740 0.009 0.000 0.288 291 N C 1.096 176.694 175.510 0.148 0.000 1.334 291 N CA 0.381 53.502 53.050 0.119 0.000 1.063 291 N CB -0.372 38.162 38.487 0.079 0.000 1.386 291 N HN 0.592 nan 8.380 nan 0.000 0.552 292 A N 0.353 123.326 122.820 0.254 0.000 1.969 292 A HA 0.059 4.384 4.320 0.009 0.000 0.218 292 A C 1.003 178.663 177.584 0.128 0.000 1.169 292 A CA 0.737 52.928 52.037 0.257 0.000 0.635 292 A CB 0.203 19.531 19.000 0.547 0.000 0.810 292 A HN 0.408 nan 8.150 nan 0.000 0.445 293 I N -1.365 119.282 120.570 0.128 0.000 2.588 293 I HA 0.177 4.353 4.170 0.009 0.000 0.278 293 I C -2.493 173.656 176.117 0.054 0.000 1.144 293 I CA -1.313 60.003 61.300 0.027 0.000 1.074 293 I CB 2.464 40.406 38.000 -0.096 0.000 1.235 293 I HN -0.062 nan 8.210 nan 0.000 0.472 294 P HA -0.101 nan 4.420 nan 0.000 0.225 294 P C 0.890 178.202 177.300 0.021 0.000 1.148 294 P CA 1.181 64.308 63.100 0.043 0.000 0.779 294 P CB 0.277 31.997 31.700 0.033 0.000 0.780 295 E N -0.944 119.251 120.200 -0.008 0.000 2.204 295 E HA -0.073 4.283 4.350 0.009 0.000 0.194 295 E C 0.791 177.360 176.600 -0.051 0.000 0.989 295 E CA 0.843 57.222 56.400 -0.036 0.000 0.824 295 E CB -0.332 29.330 29.700 -0.064 0.000 0.756 295 E HN 0.221 nan 8.360 nan 0.000 0.477 296 L N 0.179 121.375 121.223 -0.046 0.000 2.858 296 L HA 0.155 4.500 4.340 0.009 0.000 0.251 296 L C 1.493 178.405 176.870 0.070 0.000 1.149 296 L CA 0.232 55.043 54.840 -0.049 0.000 0.955 296 L CB -0.100 41.863 42.059 -0.160 0.000 1.289 296 L HN 0.012 nan 8.230 nan 0.000 0.542 297 N N 0.043 118.796 118.700 0.089 0.000 2.309 297 N HA -0.166 4.579 4.740 0.009 0.000 0.182 297 N C 1.601 177.175 175.510 0.106 0.000 1.018 297 N CA 1.472 54.598 53.050 0.127 0.000 0.876 297 N CB 0.430 38.981 38.487 0.107 0.000 0.972 297 N HN 0.267 nan 8.380 nan 0.000 0.434 298 E N -0.214 120.034 120.200 0.080 0.000 2.110 298 E HA 0.015 4.370 4.350 0.009 0.000 0.193 298 E C 2.189 178.845 176.600 0.094 0.000 0.950 298 E CA 0.679 57.129 56.400 0.084 0.000 0.840 298 E CB -0.800 28.939 29.700 0.065 0.000 0.809 298 E HN 0.203 nan 8.360 nan 0.000 0.465 299 V N 2.267 122.224 119.914 0.073 0.000 2.402 299 V HA -0.360 3.766 4.120 0.009 0.000 0.264 299 V C 2.462 178.616 176.094 0.100 0.000 1.112 299 V CA 2.690 65.037 62.300 0.077 0.000 1.110 299 V CB -1.461 30.381 31.823 0.031 0.000 0.689 299 V HN 0.283 nan 8.190 nan 0.000 0.459 300 M N -0.942 118.722 119.600 0.107 0.000 2.514 300 M HA 0.345 4.831 4.480 0.009 0.000 0.258 300 M C 0.664 177.084 176.300 0.201 0.000 1.119 300 M CA 0.812 56.182 55.300 0.117 0.000 1.111 300 M CB 0.091 32.758 32.600 0.112 0.000 1.390 300 M HN 0.182 nan 8.290 nan 0.000 0.475 301 L N 1.471 122.817 121.223 0.207 0.000 3.146 301 L HA -0.077 4.269 4.340 0.009 0.000 0.581 301 L C -1.015 176.069 176.870 0.355 0.000 1.325 301 L CA -0.172 54.837 54.840 0.282 0.000 1.015 301 L CB -1.922 40.306 42.059 0.282 0.000 1.847 301 L HN 0.385 nan 8.230 nan 0.000 0.806 302 I N -1.004 119.682 120.570 0.194 0.000 2.894 302 I HA 0.411 4.587 4.170 0.009 0.000 0.302 302 I C 0.460 176.680 176.117 0.173 0.000 1.188 302 I CA -0.473 60.931 61.300 0.173 0.000 1.014 302 I CB 2.581 40.552 38.000 -0.049 0.000 1.242 302 I HN -0.051 nan 8.210 nan 0.000 0.430 303 T N 4.975 119.671 114.554 0.236 0.000 2.922 303 T HA 0.252 4.607 4.350 0.009 0.000 0.285 303 T C -1.617 173.174 174.700 0.152 0.000 1.005 303 T CA -1.117 61.074 62.100 0.152 0.000 1.061 303 T CB 1.529 70.450 68.868 0.088 0.000 1.007 303 T HN 0.457 nan 8.240 nan 0.000 0.502 304 P HA -0.046 nan 4.420 nan 0.000 0.226 304 P C -0.079 177.258 177.300 0.062 0.000 1.146 304 P CA 0.733 63.877 63.100 0.073 0.000 0.773 304 P CB 0.243 31.978 31.700 0.059 0.000 0.772 305 D N 0.405 120.843 120.400 0.064 0.000 2.308 305 D HA 0.067 4.712 4.640 0.009 0.000 0.251 305 D C 0.265 176.598 176.300 0.056 0.000 1.127 305 D CA 0.184 54.209 54.000 0.041 0.000 0.876 305 D CB 1.110 41.914 40.800 0.007 0.000 1.176 305 D HN -0.059 nan 8.370 nan 0.000 0.446 306 S N 1.765 117.482 115.700 0.027 0.000 3.208 306 S HA 0.433 4.909 4.470 0.009 0.000 0.195 306 S C 0.635 175.265 174.600 0.050 0.000 1.394 306 S CA -0.458 57.731 58.200 -0.018 0.000 1.127 306 S CB -0.415 62.749 63.200 -0.060 0.000 1.282 306 S HN 0.623 nan 8.310 nan 0.000 0.513 307 G N 1.251 110.076 108.800 0.043 0.000 3.912 307 G HA2 0.210 4.176 3.960 0.009 0.000 0.203 307 G HA3 0.210 4.176 3.960 0.009 0.000 0.203 307 G C 0.005 174.904 174.900 -0.001 0.000 1.112 307 G CA -0.254 44.876 45.100 0.049 0.000 0.871 307 G HN 0.522 nan 8.290 nan 0.000 0.549 308 L N 1.163 122.343 121.223 -0.071 0.000 3.096 308 L HA 0.518 4.864 4.340 0.009 0.000 0.272 308 L C -1.017 175.569 176.870 -0.473 0.000 1.311 308 L CA -0.405 54.299 54.840 -0.226 0.000 0.943 308 L CB 0.356 42.243 42.059 -0.286 0.000 1.348 308 L HN 0.122 nan 8.230 nan 0.000 0.562 309 Y N -1.225 119.053 120.300 -0.036 0.000 2.475 309 Y HA 0.093 4.649 4.550 0.009 0.000 0.343 309 Y C 1.405 177.307 175.900 0.004 0.000 1.068 309 Y CA -0.256 57.810 58.100 -0.057 0.000 1.307 309 Y CB 1.876 40.266 38.460 -0.117 0.000 1.097 309 Y HN 0.142 nan 8.280 nan 0.000 0.530 310 S N 2.604 118.364 115.700 0.101 0.000 2.468 310 S HA -0.306 4.170 4.470 0.009 0.000 0.261 310 S C 0.935 175.736 174.600 0.334 0.000 1.127 310 S CA 1.942 60.227 58.200 0.142 0.000 1.092 310 S CB -0.302 62.929 63.200 0.053 0.000 0.945 310 S HN 0.657 nan 8.310 nan 0.000 0.463 311 F N 0.174 120.145 119.950 0.036 0.000 2.980 311 F HA 0.451 4.984 4.527 0.011 0.000 0.299 311 F C 1.031 176.825 175.800 -0.011 0.000 1.211 311 F CA -0.350 57.640 58.000 -0.016 0.000 1.328 311 F CB 0.240 39.181 39.000 -0.099 0.000 1.154 311 F HN 0.190 nan 8.300 nan 0.000 0.528 312 I N -0.676 120.029 120.570 0.226 0.000 5.475 312 I HA -0.179 3.996 4.170 0.009 0.000 0.363 312 I C 0.684 176.933 176.117 0.219 0.000 0.970 312 I CA 0.199 61.641 61.300 0.236 0.000 1.698 312 I CB 0.087 38.198 38.000 0.186 0.000 2.440 312 I HN 0.098 nan 8.210 nan 0.000 0.812 313 N N 1.096 119.893 118.700 0.161 0.000 2.362 313 N HA -0.033 4.713 4.740 0.009 0.000 0.204 313 N C 1.051 176.615 175.510 0.091 0.000 1.166 313 N CA 0.227 53.349 53.050 0.118 0.000 0.831 313 N CB -0.042 38.489 38.487 0.073 0.000 1.008 313 N HN 0.357 nan 8.380 nan 0.000 0.472 314 Q N -0.909 118.941 119.800 0.084 0.000 2.437 314 Q HA 0.102 4.448 4.340 0.009 0.000 0.210 314 Q C 0.837 176.856 176.000 0.032 0.000 0.972 314 Q CA 1.350 57.182 55.803 0.050 0.000 0.903 314 Q CB 0.113 28.858 28.738 0.011 0.000 0.967 314 Q HN 0.692 nan 8.270 nan 0.000 0.486 315 G N -2.041 106.784 108.800 0.040 0.000 4.302 315 G HA2 -0.037 3.928 3.960 0.009 0.000 0.137 315 G HA3 -0.037 3.928 3.960 0.009 0.000 0.137 315 G C -0.400 174.522 174.900 0.038 0.000 1.147 315 G CA -0.185 44.931 45.100 0.026 0.000 1.041 315 G HN 0.259 nan 8.290 nan 0.000 0.344 316 C N 1.506 120.822 119.300 0.027 0.000 2.422 316 C HA 0.860 5.326 4.460 0.009 0.000 0.364 316 C C 1.205 176.263 174.990 0.114 0.000 1.251 316 C CA 0.020 59.053 59.018 0.023 0.000 2.441 316 C CB 0.577 28.286 27.740 -0.053 0.000 2.393 316 C HN 0.558 nan 8.230 nan 0.000 0.606 317 L N -0.066 121.226 121.223 0.114 0.000 3.140 317 L HA 0.463 4.809 4.340 0.009 0.000 0.220 317 L C 0.573 177.541 176.870 0.163 0.000 1.508 317 L CA -0.304 54.737 54.840 0.336 0.000 2.372 317 L CB -0.756 41.448 42.059 0.243 0.000 2.266 317 L HN 0.555 nan 8.230 nan 0.000 0.788 318 T N 0.730 115.368 114.554 0.140 0.000 2.882 318 T HA 0.590 4.945 4.350 0.009 0.000 0.287 318 T C -0.523 174.171 174.700 -0.010 0.000 1.014 318 T CA -0.309 61.828 62.100 0.063 0.000 1.049 318 T CB 1.121 70.027 68.868 0.064 0.000 1.001 318 T HN 0.209 nan 8.240 nan 0.000 0.525 319 V N 3.170 123.057 119.914 -0.044 0.000 3.113 319 V HA 0.353 4.479 4.120 0.009 0.000 0.316 319 V C 0.875 176.947 176.094 -0.037 0.000 1.125 319 V CA -0.821 61.448 62.300 -0.052 0.000 1.026 319 V CB 2.040 33.813 31.823 -0.084 0.000 1.080 319 V HN 0.936 nan 8.190 nan 0.000 0.444 320 D N 1.203 121.584 120.400 -0.031 0.000 2.157 320 D HA -0.168 4.478 4.640 0.009 0.000 0.197 320 D C 1.375 177.661 176.300 -0.022 0.000 0.995 320 D CA 1.851 55.837 54.000 -0.023 0.000 0.860 320 D CB -0.157 40.630 40.800 -0.021 0.000 1.016 320 D HN 0.573 nan 8.370 nan 0.000 0.452 321 N N 0.342 119.027 118.700 -0.025 0.000 2.494 321 N HA -0.002 4.744 4.740 0.009 0.000 0.182 321 N C 0.807 176.301 175.510 -0.027 0.000 1.076 321 N CA 0.105 53.142 53.050 -0.021 0.000 0.908 321 N CB 0.577 39.052 38.487 -0.020 0.000 0.967 321 N HN 0.259 nan 8.380 nan 0.000 0.449 322 I N 0.913 121.457 120.570 -0.044 0.000 2.662 322 I HA -0.018 4.158 4.170 0.009 0.000 0.291 322 I C 0.297 176.389 176.117 -0.042 0.000 1.046 322 I CA 0.444 61.705 61.300 -0.065 0.000 1.361 322 I CB 1.349 39.276 38.000 -0.121 0.000 1.429 322 I HN -0.112 nan 8.210 nan 0.000 0.558 323 D N 1.185 121.566 120.400 -0.033 0.000 2.497 323 D HA 0.070 4.716 4.640 0.009 0.000 0.256 323 D C -0.035 176.262 176.300 -0.005 0.000 1.273 323 D CA 0.051 54.045 54.000 -0.009 0.000 0.812 323 D CB 0.310 41.111 40.800 0.003 0.000 1.190 323 D HN 0.596 nan 8.370 nan 0.000 0.524 324 D N -1.136 119.245 120.400 -0.031 0.000 2.931 324 D HA -0.224 4.422 4.640 0.009 0.000 0.228 324 D C 0.972 177.278 176.300 0.011 0.000 1.180 324 D CA 0.748 54.728 54.000 -0.033 0.000 0.784 324 D CB -1.383 39.401 40.800 -0.026 0.000 1.093 324 D HN 0.195 nan 8.370 nan 0.000 0.421 325 V N -0.681 119.257 119.914 0.040 0.000 3.263 325 V HA -0.030 4.095 4.120 0.009 0.000 0.208 325 V C 2.271 178.435 176.094 0.118 0.000 1.184 325 V CA 0.559 62.912 62.300 0.089 0.000 1.341 325 V CB -0.440 31.429 31.823 0.076 0.000 1.238 325 V HN 0.074 nan 8.190 nan 0.000 0.504 326 E N 0.412 120.664 120.200 0.087 0.000 2.430 326 E HA -0.377 3.979 4.350 0.009 0.000 0.243 326 E C 2.136 178.798 176.600 0.104 0.000 1.111 326 E CA 2.403 58.852 56.400 0.082 0.000 1.097 326 E CB -0.410 29.323 29.700 0.056 0.000 0.941 326 E HN 0.580 nan 8.360 nan 0.000 0.473 327 E N 0.041 120.304 120.200 0.105 0.000 2.070 327 E HA -0.196 4.160 4.350 0.009 0.000 0.197 327 E C 1.964 178.683 176.600 0.198 0.000 1.004 327 E CA 0.898 57.371 56.400 0.121 0.000 0.805 327 E CB -0.524 29.227 29.700 0.085 0.000 0.744 327 E HN 0.253 nan 8.360 nan 0.000 0.451 328 F N 1.703 121.661 119.950 0.014 0.000 2.373 328 F HA -0.134 4.396 4.527 0.005 0.000 0.300 328 F C 2.301 178.131 175.800 0.050 0.000 1.080 328 F CA 1.470 59.477 58.000 0.011 0.000 1.417 328 F CB -0.161 38.848 39.000 0.015 0.000 1.070 328 F HN 0.059 nan 8.300 nan 0.000 0.546 329 K N -0.331 120.135 120.400 0.111 0.000 2.214 329 K HA 0.033 4.358 4.320 0.009 0.000 0.201 329 K C 2.082 178.715 176.600 0.054 0.000 1.049 329 K CA 0.607 56.908 56.287 0.023 0.000 0.978 329 K CB -0.035 32.487 32.500 0.036 0.000 0.842 329 K HN 0.294 nan 8.250 nan 0.000 0.474 330 L N 1.053 122.328 121.223 0.087 0.000 2.093 330 L HA -0.172 4.174 4.340 0.009 0.000 0.208 330 L C 2.833 179.785 176.870 0.136 0.000 1.085 330 L CA 0.851 55.748 54.840 0.094 0.000 0.755 330 L CB -0.645 41.465 42.059 0.086 0.000 0.904 330 L HN 0.428 nan 8.230 nan 0.000 0.435 331 C N 0.762 120.165 119.300 0.171 0.000 2.413 331 C HA -0.252 4.214 4.460 0.009 0.000 0.277 331 C C 2.560 177.775 174.990 0.375 0.000 1.228 331 C CA 1.567 60.748 59.018 0.272 0.000 1.731 331 C CB -0.682 27.232 27.740 0.290 0.000 2.042 331 C HN 0.677 nan 8.230 nan 0.000 0.468 332 D N -0.177 120.333 120.400 0.183 0.000 2.220 332 D HA -0.211 4.434 4.640 0.009 0.000 0.198 332 D C 2.059 178.465 176.300 0.178 0.000 1.001 332 D CA 2.038 56.097 54.000 0.100 0.000 0.875 332 D CB -0.171 40.634 40.800 0.009 0.000 0.921 332 D HN 0.602 nan 8.370 nan 0.000 0.454 333 E N -0.503 119.798 120.200 0.169 0.000 2.042 333 E HA 0.148 4.504 4.350 0.009 0.000 0.189 333 E C 1.985 178.693 176.600 0.180 0.000 0.974 333 E CA 1.095 57.579 56.400 0.139 0.000 0.806 333 E CB -0.690 29.066 29.700 0.092 0.000 0.769 333 E HN 0.278 nan 8.360 nan 0.000 0.451 334 A N 0.101 123.035 122.820 0.190 0.000 1.997 334 A HA -0.227 4.098 4.320 0.009 0.000 0.221 334 A C 1.943 179.629 177.584 0.169 0.000 1.172 334 A CA 1.449 53.570 52.037 0.139 0.000 0.645 334 A CB -0.925 18.135 19.000 0.098 0.000 0.813 334 A HN 0.251 nan 8.150 nan 0.000 0.454 335 F N 0.155 120.164 119.950 0.098 0.000 1.980 335 F HA -0.172 4.362 4.527 0.012 0.000 0.297 335 F C 2.231 178.023 175.800 -0.014 0.000 1.225 335 F CA 1.985 59.970 58.000 -0.024 0.000 1.176 335 F CB -0.899 37.931 39.000 -0.283 0.000 0.961 335 F HN 0.170 nan 8.300 nan 0.000 0.501 336 D N 0.600 121.073 120.400 0.122 0.000 2.412 336 D HA -0.283 4.362 4.640 0.009 0.000 0.191 336 D C 2.293 178.684 176.300 0.152 0.000 1.019 336 D CA 2.247 56.295 54.000 0.080 0.000 0.866 336 D CB -0.873 39.962 40.800 0.059 0.000 0.966 336 D HN 0.272 nan 8.370 nan 0.000 0.459 337 I N 0.328 120.982 120.570 0.139 0.000 2.181 337 I HA -0.378 3.797 4.170 0.009 0.000 0.240 337 I C 2.283 178.472 176.117 0.119 0.000 1.006 337 I CA 1.218 62.585 61.300 0.112 0.000 1.284 337 I CB -0.603 37.452 38.000 0.092 0.000 0.990 337 I HN 0.084 nan 8.210 nan 0.000 0.408 338 L N -0.277 121.052 121.223 0.177 0.000 2.155 338 L HA 0.065 4.410 4.340 0.009 0.000 0.229 338 L C 1.098 178.045 176.870 0.128 0.000 1.132 338 L CA 1.061 55.954 54.840 0.089 0.000 2.343 338 L CB -0.783 41.244 42.059 -0.052 0.000 2.063 338 L HN 0.359 nan 8.230 nan 0.000 0.980 339 G N -0.090 108.789 108.800 0.132 0.000 3.446 339 G HA2 0.527 4.493 3.960 0.009 0.000 0.314 339 G HA3 0.527 4.493 3.960 0.009 0.000 0.314 339 G C -1.009 174.090 174.900 0.331 0.000 1.539 339 G CA -0.146 45.052 45.100 0.163 0.000 0.848 339 G HN 0.413 nan 8.290 nan 0.000 0.488 340 F N -0.351 119.621 119.950 0.037 0.000 2.922 340 F HA 0.345 4.878 4.527 0.010 0.000 0.341 340 F C 0.138 176.015 175.800 0.128 0.000 1.140 340 F CA -1.428 56.623 58.000 0.085 0.000 1.203 340 F CB -0.159 38.902 39.000 0.101 0.000 1.491 340 F HN 0.175 nan 8.300 nan 0.000 0.670 341 T N 1.377 116.021 114.554 0.151 0.000 2.636 341 T HA -0.020 4.335 4.350 0.009 0.000 0.348 341 T C 1.070 175.750 174.700 -0.032 0.000 1.076 341 T CA -0.071 62.054 62.100 0.041 0.000 1.064 341 T CB 0.599 69.499 68.868 0.053 0.000 0.995 341 T HN 0.740 nan 8.240 nan 0.000 0.547 342 K N 0.484 120.851 120.400 -0.054 0.000 2.439 342 K HA -0.054 4.272 4.320 0.009 0.000 0.197 342 K C 2.354 178.922 176.600 -0.055 0.000 1.041 342 K CA 0.608 56.837 56.287 -0.095 0.000 0.970 342 K CB 0.007 32.434 32.500 -0.121 0.000 0.773 342 K HN 0.745 nan 8.250 nan 0.000 0.479 343 E N 2.142 122.338 120.200 -0.008 0.000 2.038 343 E HA -0.284 4.071 4.350 0.009 0.000 0.195 343 E C 1.026 177.657 176.600 0.051 0.000 1.000 343 E CA 1.773 58.182 56.400 0.015 0.000 0.803 343 E CB 0.020 29.740 29.700 0.034 0.000 0.750 343 E HN 0.378 nan 8.360 nan 0.000 0.448 344 E N 1.176 121.446 120.200 0.117 0.000 2.170 344 E HA -0.081 4.275 4.350 0.009 0.000 0.191 344 E C 2.060 178.800 176.600 0.234 0.000 0.981 344 E CA 1.006 57.522 56.400 0.194 0.000 0.830 344 E CB -0.245 29.665 29.700 0.349 0.000 0.775 344 E HN 0.323 nan 8.360 nan 0.000 0.470 345 K N 0.939 121.441 120.400 0.170 0.000 2.113 345 K HA -0.185 4.140 4.320 0.009 0.000 0.208 345 K C 1.597 178.299 176.600 0.170 0.000 1.047 345 K CA 1.799 58.155 56.287 0.115 0.000 0.928 345 K CB -0.226 32.186 32.500 -0.146 0.000 0.716 345 K HN 0.075 nan 8.250 nan 0.000 0.446 346 T N 0.653 115.243 114.554 0.060 0.000 2.701 346 T HA -0.095 4.261 4.350 0.009 0.000 0.263 346 T C 1.987 176.760 174.700 0.121 0.000 1.040 346 T CA 1.636 63.738 62.100 0.003 0.000 1.147 346 T CB -0.309 68.500 68.868 -0.098 0.000 0.865 346 T HN 0.294 nan 8.240 nan 0.000 0.426 347 S N 1.151 116.905 115.700 0.089 0.000 2.400 347 S HA -0.218 4.257 4.470 0.009 0.000 0.234 347 S C 1.956 176.631 174.600 0.125 0.000 1.049 347 S CA 1.493 59.732 58.200 0.065 0.000 1.039 347 S CB -0.438 62.774 63.200 0.020 0.000 0.856 347 S HN 0.261 nan 8.310 nan 0.000 0.465 348 M N 0.755 120.484 119.600 0.215 0.000 2.315 348 M HA -0.046 4.440 4.480 0.009 0.000 0.264 348 M C 1.508 177.961 176.300 0.255 0.000 1.075 348 M CA 1.616 57.064 55.300 0.247 0.000 1.093 348 M CB -0.955 31.831 32.600 0.310 0.000 1.251 348 M HN 0.235 nan 8.290 nan 0.000 0.449 349 F N 0.512 120.504 119.950 0.070 0.000 2.077 349 F HA -0.438 4.093 4.527 0.007 0.000 0.292 349 F C 2.233 178.091 175.800 0.096 0.000 1.120 349 F CA 2.346 60.403 58.000 0.095 0.000 1.246 349 F CB -1.371 37.641 39.000 0.019 0.000 0.941 349 F HN 0.202 nan 8.300 nan 0.000 0.514 350 K N -0.515 120.051 120.400 0.276 0.000 1.987 350 K HA -0.238 4.087 4.320 0.009 0.000 0.216 350 K C 2.139 178.800 176.600 0.102 0.000 1.051 350 K CA 1.975 58.338 56.287 0.128 0.000 0.942 350 K CB -1.229 31.289 32.500 0.029 0.000 0.722 350 K HN 0.319 nan 8.250 nan 0.000 0.444 351 C N 1.148 120.503 119.300 0.092 0.000 2.375 351 C HA -0.193 4.273 4.460 0.009 0.000 0.274 351 C C 2.894 177.968 174.990 0.140 0.000 1.190 351 C CA 1.595 60.664 59.018 0.086 0.000 1.775 351 C CB -1.217 26.571 27.740 0.080 0.000 2.067 351 C HN 0.574 nan 8.230 nan 0.000 0.463 352 T N 0.708 115.377 114.554 0.193 0.000 2.760 352 T HA -0.208 4.147 4.350 0.009 0.000 0.269 352 T C 1.940 176.763 174.700 0.205 0.000 1.047 352 T CA 1.740 64.004 62.100 0.273 0.000 1.139 352 T CB -0.374 68.670 68.868 0.294 0.000 0.855 352 T HN 0.726 nan 8.240 nan 0.000 0.471 353 A N 1.817 124.712 122.820 0.126 0.000 1.898 353 A HA -0.082 4.244 4.320 0.009 0.000 0.216 353 A C 2.578 180.177 177.584 0.027 0.000 1.181 353 A CA 2.053 54.109 52.037 0.032 0.000 0.620 353 A CB -1.039 17.995 19.000 0.058 0.000 0.819 353 A HN 0.624 nan 8.150 nan 0.000 0.442 354 S N 1.160 116.907 115.700 0.078 0.000 2.393 354 S HA -0.291 4.185 4.470 0.009 0.000 0.234 354 S C 1.844 176.487 174.600 0.072 0.000 1.064 354 S CA 1.895 60.146 58.200 0.085 0.000 1.088 354 S CB -1.090 62.152 63.200 0.071 0.000 0.939 354 S HN 0.492 nan 8.310 nan 0.000 0.448 355 I N 2.736 123.350 120.570 0.074 0.000 2.091 355 I HA -0.186 3.990 4.170 0.009 0.000 0.239 355 I C 2.637 178.712 176.117 -0.069 0.000 1.061 355 I CA 1.347 62.687 61.300 0.066 0.000 1.317 355 I CB -2.004 36.049 38.000 0.089 0.000 1.031 355 I HN 0.327 nan 8.210 nan 0.000 0.401 356 L N 0.265 121.352 121.223 -0.227 0.000 1.997 356 L HA -0.313 4.033 4.340 0.009 0.000 0.227 356 L C 2.931 179.659 176.870 -0.236 0.000 1.087 356 L CA 1.991 56.602 54.840 -0.382 0.000 0.797 356 L CB -1.435 40.239 42.059 -0.643 0.000 0.902 356 L HN 0.338 nan 8.230 nan 0.000 0.441 357 H N -0.573 118.443 119.070 -0.089 0.000 2.353 357 H HA -0.135 4.423 4.556 0.002 0.000 0.300 357 H C 2.412 177.673 175.328 -0.112 0.000 1.090 357 H CA 1.671 57.696 56.048 -0.037 0.000 1.327 357 H CB -0.324 29.433 29.762 -0.008 0.000 1.383 357 H HN 0.376 nan 8.280 nan 0.000 0.508 358 M N -0.244 119.357 119.600 0.002 0.000 2.116 358 M HA -0.172 4.314 4.480 0.009 0.000 0.255 358 M C 2.465 178.589 176.300 -0.294 0.000 1.075 358 M CA 1.947 57.204 55.300 -0.072 0.000 1.087 358 M CB -0.412 32.183 32.600 -0.009 0.000 1.340 358 M HN 0.284 nan 8.290 nan 0.000 0.402 359 G N -1.419 106.941 108.800 -0.733 0.000 2.623 359 G HA2 -0.106 3.860 3.960 0.009 0.000 0.214 359 G HA3 -0.106 3.860 3.960 0.009 0.000 0.214 359 G C 1.092 175.686 174.900 -0.511 0.000 1.138 359 G CA 0.207 44.519 45.100 -1.314 0.000 0.794 359 G HN 0.306 nan 8.290 nan 0.000 0.535 360 E N 0.167 120.212 120.200 -0.259 0.000 2.403 360 E HA 0.271 4.626 4.350 0.009 0.000 0.187 360 E C 0.781 177.348 176.600 -0.054 0.000 1.073 360 E CA -0.193 56.157 56.400 -0.083 0.000 0.888 360 E CB -0.174 29.551 29.700 0.041 0.000 1.035 360 E HN 0.327 nan 8.360 nan 0.000 0.471 361 M N 0.562 120.125 119.600 -0.061 0.000 2.318 361 M HA 0.337 4.822 4.480 0.009 0.000 0.347 361 M C -0.228 176.027 176.300 -0.074 0.000 1.175 361 M CA -0.249 55.012 55.300 -0.065 0.000 1.075 361 M CB 1.502 34.139 32.600 0.061 0.000 1.614 361 M HN -0.296 nan 8.290 nan 0.000 0.456 362 K N 1.619 121.830 120.400 -0.316 0.000 2.340 362 K HA 0.809 5.134 4.320 0.009 0.000 0.244 362 K C -1.360 174.846 176.600 -0.657 0.000 0.973 362 K CA -0.394 55.744 56.287 -0.249 0.000 0.828 362 K CB 2.079 34.488 32.500 -0.152 0.000 1.226 362 K HN 0.409 nan 8.250 nan 0.000 0.437 363 F N 0.124 120.075 119.950 0.002 0.000 3.862 363 F HA 0.532 5.067 4.527 0.013 0.000 0.302 363 F C -0.983 174.822 175.800 0.008 0.000 1.389 363 F CA -0.736 57.267 58.000 0.006 0.000 0.949 363 F CB 0.833 39.839 39.000 0.009 0.000 1.767 363 F HN 0.388 nan 8.300 nan 0.000 0.469 364 K N 0.284 120.845 120.400 0.268 0.000 3.035 364 K HA 0.168 4.493 4.320 0.009 0.000 0.330 364 K C -1.827 174.839 176.600 0.110 0.000 1.164 364 K CA -0.528 55.841 56.287 0.137 0.000 0.919 364 K CB 0.802 33.356 32.500 0.090 0.000 1.368 364 K HN 0.716 nan 8.250 nan 0.000 0.385 365 Q N 1.883 121.725 119.800 0.070 0.000 3.076 365 Q HA 0.485 4.831 4.340 0.009 0.000 0.212 365 Q C 0.175 176.201 176.000 0.045 0.000 1.168 365 Q CA -0.850 54.984 55.803 0.051 0.000 0.333 365 Q CB 0.409 29.168 28.738 0.036 0.000 5.777 365 Q HN 0.573 nan 8.270 nan 0.000 0.315 366 R N 0.135 120.655 120.500 0.034 0.000 3.234 366 R HA 0.358 4.704 4.340 0.009 0.000 0.223 366 R C -1.654 174.661 176.300 0.026 0.000 1.644 366 R CA -1.233 54.884 56.100 0.028 0.000 1.009 366 R CB -0.216 30.098 30.300 0.023 0.000 1.959 366 R HN 0.374 nan 8.270 nan 0.000 0.534 367 P HA 0.041 nan 4.420 nan 0.000 0.204 367 P C 0.194 177.505 177.300 0.018 0.000 1.214 367 P CA 0.880 63.992 63.100 0.019 0.000 0.902 367 P CB 0.280 31.989 31.700 0.016 0.000 0.733 368 R N 0.600 121.109 120.500 0.016 0.000 2.978 368 R HA 0.213 4.559 4.340 0.009 0.000 0.298 368 R C 0.024 176.332 176.300 0.014 0.000 1.296 368 R CA 0.006 56.115 56.100 0.014 0.000 1.181 368 R CB -0.573 29.734 30.300 0.012 0.000 1.348 368 R HN 0.405 nan 8.270 nan 0.000 0.585 369 E N -0.997 119.213 120.200 0.016 0.000 2.392 369 E HA 0.215 4.571 4.350 0.009 0.000 0.269 369 E C -1.136 175.474 176.600 0.017 0.000 0.924 369 E CA -0.982 55.427 56.400 0.015 0.000 0.784 369 E CB 1.857 31.566 29.700 0.015 0.000 1.292 369 E HN 0.022 nan 8.360 nan 0.000 0.447 370 E N 1.820 122.029 120.200 0.015 0.000 2.070 370 E HA 0.179 4.535 4.350 0.009 0.000 0.261 370 E C -1.415 175.193 176.600 0.014 0.000 0.926 370 E CA -0.289 56.120 56.400 0.015 0.000 0.760 370 E CB 0.580 30.289 29.700 0.014 0.000 1.133 370 E HN 0.369 nan 8.360 nan 0.000 0.420 371 Q N 2.500 122.309 119.800 0.015 0.000 2.825 371 Q HA 0.348 4.694 4.340 0.009 0.000 0.219 371 Q C -2.033 173.977 176.000 0.016 0.000 0.942 371 Q CA -0.233 55.577 55.803 0.011 0.000 1.147 371 Q CB 0.932 29.678 28.738 0.013 0.000 1.723 371 Q HN 0.498 nan 8.270 nan 0.000 0.541 372 A N 2.884 125.706 122.820 0.002 0.000 2.257 372 A HA 0.864 5.190 4.320 0.009 0.000 0.289 372 A C -0.437 177.180 177.584 0.056 0.000 1.095 372 A CA 0.226 52.273 52.037 0.018 0.000 0.836 372 A CB 0.875 19.845 19.000 -0.051 0.000 1.111 372 A HN 0.747 nan 8.150 nan 0.000 0.497 373 E N -0.770 119.517 120.200 0.145 0.000 2.430 373 E HA 0.604 4.960 4.350 0.009 0.000 0.279 373 E C -0.432 176.396 176.600 0.380 0.000 1.003 373 E CA 0.022 56.542 56.400 0.200 0.000 0.801 373 E CB 1.175 30.943 29.700 0.113 0.000 1.313 373 E HN 0.896 nan 8.360 nan 0.000 0.459 374 S N 0.145 116.025 115.700 0.299 0.000 2.666 374 S HA 0.508 4.984 4.470 0.009 0.000 0.279 374 S C 0.461 175.000 174.600 -0.101 0.000 1.149 374 S CA 0.499 58.734 58.200 0.059 0.000 1.020 374 S CB 0.819 64.006 63.200 -0.022 0.000 1.127 374 S HN 0.642 nan 8.310 nan 0.000 0.537 375 D N -2.717 117.527 120.400 -0.261 0.000 1.689 375 D HA 0.012 4.657 4.640 0.009 0.000 0.643 375 D C 0.721 176.887 176.300 -0.223 0.000 0.804 375 D CA 0.701 54.592 54.000 -0.182 0.000 1.125 375 D CB -0.654 40.054 40.800 -0.153 0.000 1.506 375 D HN 0.661 nan 8.370 nan 0.000 0.499 376 G N 1.222 109.796 108.800 -0.376 0.000 3.636 376 G HA2 0.334 4.300 3.960 0.009 0.000 0.260 376 G HA3 0.334 4.300 3.960 0.009 0.000 0.260 376 G C 0.633 175.384 174.900 -0.249 0.000 1.014 376 G CA 0.292 45.211 45.100 -0.302 0.000 1.797 376 G HN 0.130 nan 8.290 nan 0.000 0.637 377 T N 0.579 115.036 114.554 -0.161 0.000 3.088 377 T HA 0.115 4.471 4.350 0.009 0.000 0.259 377 T C 2.621 177.280 174.700 -0.067 0.000 1.122 377 T CA 0.824 62.871 62.100 -0.088 0.000 1.095 377 T CB 0.361 69.198 68.868 -0.051 0.000 0.930 377 T HN 0.447 nan 8.240 nan 0.000 0.508 378 A N 2.229 124.999 122.820 -0.083 0.000 1.841 378 A HA -0.077 4.249 4.320 0.009 0.000 0.214 378 A C 2.173 179.701 177.584 -0.094 0.000 1.195 378 A CA 1.351 53.344 52.037 -0.074 0.000 0.611 378 A CB -0.500 18.456 19.000 -0.073 0.000 0.835 378 A HN 0.466 nan 8.150 nan 0.000 0.443 379 E N 0.055 120.181 120.200 -0.122 0.000 2.110 379 E HA -0.047 4.309 4.350 0.009 0.000 0.193 379 E C 2.213 178.754 176.600 -0.098 0.000 0.988 379 E CA 1.070 57.368 56.400 -0.171 0.000 0.804 379 E CB -0.337 29.295 29.700 -0.114 0.000 0.745 379 E HN 0.593 nan 8.360 nan 0.000 0.458 380 A N 1.341 124.126 122.820 -0.057 0.000 1.908 380 A HA -0.282 4.043 4.320 0.009 0.000 0.218 380 A C 1.988 179.575 177.584 0.006 0.000 1.181 380 A CA 1.671 53.708 52.037 0.001 0.000 0.627 380 A CB -0.417 18.594 19.000 0.019 0.000 0.818 380 A HN 0.180 nan 8.150 nan 0.000 0.445 381 E N -0.231 119.965 120.200 -0.007 0.000 2.106 381 E HA -0.159 4.196 4.350 0.009 0.000 0.192 381 E C 1.988 178.627 176.600 0.066 0.000 0.984 381 E CA 1.071 57.486 56.400 0.025 0.000 0.806 381 E CB -0.116 29.586 29.700 0.003 0.000 0.750 381 E HN 0.603 nan 8.360 nan 0.000 0.458 382 K N 0.519 120.918 120.400 -0.002 0.000 1.969 382 K HA -0.199 4.126 4.320 0.009 0.000 0.223 382 K C 2.406 179.009 176.600 0.005 0.000 1.048 382 K CA 2.030 58.313 56.287 -0.006 0.000 0.983 382 K CB -0.839 31.486 32.500 -0.291 0.000 0.738 382 K HN 0.090 nan 8.250 nan 0.000 0.446 383 V N -0.137 119.750 119.914 -0.046 0.000 2.250 383 V HA -0.329 3.797 4.120 0.009 0.000 0.253 383 V C 2.348 178.419 176.094 -0.038 0.000 1.065 383 V CA 2.204 64.490 62.300 -0.023 0.000 1.039 383 V CB -1.544 30.293 31.823 0.023 0.000 0.647 383 V HN 0.430 nan 8.190 nan 0.000 0.446 384 A N 1.221 124.046 122.820 0.009 0.000 1.896 384 A HA -0.277 4.048 4.320 0.009 0.000 0.220 384 A C 2.162 179.772 177.584 0.043 0.000 1.206 384 A CA 2.718 54.769 52.037 0.024 0.000 0.647 384 A CB -1.095 17.934 19.000 0.049 0.000 0.828 384 A HN 1.054 nan 8.150 nan 0.000 0.455 385 F N -0.101 119.835 119.950 -0.024 0.000 2.206 385 F HA 0.073 4.603 4.527 0.005 0.000 0.298 385 F C 1.429 177.221 175.800 -0.014 0.000 1.090 385 F CA 1.130 59.117 58.000 -0.022 0.000 1.323 385 F CB -0.505 38.480 39.000 -0.024 0.000 1.028 385 F HN 0.090 nan 8.300 nan 0.000 0.492 386 L N -0.166 120.604 121.223 -0.756 0.000 2.749 386 L HA -0.094 4.252 4.340 0.009 0.000 0.245 386 L C 1.421 178.103 176.870 -0.313 0.000 1.156 386 L CA 0.532 54.944 54.840 -0.713 0.000 0.890 386 L CB -0.513 41.285 42.059 -0.435 0.000 1.036 386 L HN 0.631 nan 8.230 nan 0.000 0.441 387 C N -1.734 117.440 119.300 -0.210 0.000 4.259 387 C HA 0.365 4.830 4.460 0.009 0.000 0.404 387 C C 1.477 176.414 174.990 -0.089 0.000 1.673 387 C CA 0.285 59.227 59.018 -0.127 0.000 2.002 387 C CB -0.183 27.495 27.740 -0.103 0.000 3.094 387 C HN 0.640 nan 8.230 nan 0.000 0.681 388 G N 2.603 111.380 108.800 -0.038 0.000 2.248 388 G HA2 -0.165 3.801 3.960 0.009 0.000 0.263 388 G HA3 -0.165 3.801 3.960 0.009 0.000 0.263 388 G C -0.288 174.610 174.900 -0.004 0.000 1.082 388 G CA 0.613 45.718 45.100 0.009 0.000 0.863 388 G HN 1.328 nan 8.290 nan 0.000 0.495 389 I N -3.386 117.188 120.570 0.007 0.000 2.608 389 I HA 0.554 4.730 4.170 0.009 0.000 0.295 389 I C -0.249 175.882 176.117 0.024 0.000 1.049 389 I CA -1.666 59.632 61.300 -0.004 0.000 1.063 389 I CB 1.728 39.710 38.000 -0.030 0.000 1.248 389 I HN -0.133 nan 8.210 nan 0.000 0.424 390 N N 3.310 122.019 118.700 0.016 0.000 2.411 390 N HA 0.168 4.914 4.740 0.009 0.000 0.265 390 N C 1.167 176.692 175.510 0.025 0.000 1.266 390 N CA 0.558 53.620 53.050 0.020 0.000 0.889 390 N CB 1.553 40.047 38.487 0.011 0.000 1.069 390 N HN 0.821 nan 8.380 nan 0.000 0.476 391 A N 2.600 125.440 122.820 0.033 0.000 2.032 391 A HA -0.123 4.203 4.320 0.009 0.000 0.221 391 A C 1.909 179.512 177.584 0.032 0.000 1.165 391 A CA 1.883 53.941 52.037 0.035 0.000 0.645 391 A CB -0.613 18.405 19.000 0.030 0.000 0.807 391 A HN 0.684 nan 8.150 nan 0.000 0.453 392 G N -1.662 107.153 108.800 0.025 0.000 2.880 392 G HA2 0.007 3.973 3.960 0.009 0.000 0.209 392 G HA3 0.007 3.973 3.960 0.009 0.000 0.209 392 G C 1.049 175.964 174.900 0.025 0.000 1.157 392 G CA 0.764 45.880 45.100 0.026 0.000 0.779 392 G HN 0.404 nan 8.290 nan 0.000 0.539 393 D N 0.475 120.887 120.400 0.020 0.000 2.123 393 D HA -0.047 4.598 4.640 0.009 0.000 0.200 393 D C 2.466 178.776 176.300 0.016 0.000 0.976 393 D CA 0.389 54.397 54.000 0.013 0.000 0.831 393 D CB 0.169 40.971 40.800 0.003 0.000 0.974 393 D HN 0.108 nan 8.370 nan 0.000 0.469 394 L N 0.567 121.804 121.223 0.023 0.000 1.933 394 L HA -0.209 4.137 4.340 0.009 0.000 0.220 394 L C 2.534 179.427 176.870 0.037 0.000 1.078 394 L CA 1.280 56.138 54.840 0.030 0.000 0.773 394 L CB -1.340 40.747 42.059 0.047 0.000 0.890 394 L HN 0.045 nan 8.230 nan 0.000 0.434 395 L N -0.677 120.584 121.223 0.063 0.000 2.270 395 L HA -0.237 4.109 4.340 0.009 0.000 0.217 395 L C 2.449 179.340 176.870 0.035 0.000 1.107 395 L CA 1.510 56.390 54.840 0.067 0.000 0.772 395 L CB -0.986 41.146 42.059 0.120 0.000 0.902 395 L HN 0.255 nan 8.230 nan 0.000 0.439 396 K N -0.224 120.194 120.400 0.030 0.000 2.031 396 K HA 0.059 4.384 4.320 0.009 0.000 0.205 396 K C 1.922 178.532 176.600 0.016 0.000 1.049 396 K CA 1.464 57.764 56.287 0.022 0.000 0.939 396 K CB -0.166 32.346 32.500 0.019 0.000 0.717 396 K HN 0.342 nan 8.250 nan 0.000 0.438 397 A N 0.516 123.345 122.820 0.015 0.000 2.308 397 A HA 0.085 4.411 4.320 0.009 0.000 0.217 397 A C 1.694 179.284 177.584 0.010 0.000 1.216 397 A CA 0.103 52.149 52.037 0.015 0.000 0.864 397 A CB 0.129 19.138 19.000 0.015 0.000 0.902 397 A HN 0.184 nan 8.150 nan 0.000 0.499 398 L N -1.120 120.102 121.223 -0.001 0.000 2.541 398 L HA 0.260 4.605 4.340 0.009 0.000 0.187 398 L C 1.958 178.785 176.870 -0.071 0.000 1.098 398 L CA 0.783 55.607 54.840 -0.028 0.000 0.846 398 L CB -0.736 41.311 42.059 -0.021 0.000 1.151 398 L HN 0.335 nan 8.230 nan 0.000 0.492 399 L N 0.679 121.855 121.223 -0.078 0.000 1.886 399 L HA -0.192 4.153 4.340 0.009 0.000 0.226 399 L C 1.224 178.057 176.870 -0.061 0.000 1.091 399 L CA 1.322 56.092 54.840 -0.117 0.000 0.799 399 L CB -0.482 41.545 42.059 -0.053 0.000 0.889 399 L HN 0.126 nan 8.230 nan 0.000 0.429 400 K N 0.994 121.380 120.400 -0.022 0.000 2.244 400 K HA 0.257 4.583 4.320 0.009 0.000 0.263 400 K C -2.339 174.266 176.600 0.007 0.000 1.103 400 K CA -1.886 54.398 56.287 -0.004 0.000 0.966 400 K CB 1.007 33.510 32.500 0.004 0.000 1.429 400 K HN -0.080 nan 8.250 nan 0.000 0.434 401 P HA 0.005 nan 4.420 nan 0.000 0.281 401 P C -1.198 176.122 177.300 0.033 0.000 1.274 401 P CA -0.258 62.859 63.100 0.028 0.000 0.794 401 P CB 0.445 32.173 31.700 0.046 0.000 1.201 402 K N -0.168 120.256 120.400 0.040 0.000 2.426 402 K HA 0.481 4.807 4.320 0.009 0.000 0.254 402 K C -0.810 175.820 176.600 0.049 0.000 0.936 402 K CA -0.826 55.483 56.287 0.037 0.000 0.801 402 K CB 1.024 33.542 32.500 0.030 0.000 1.139 402 K HN 0.116 nan 8.250 nan 0.000 0.424 403 V N 2.902 122.841 119.914 0.041 0.000 3.743 403 V HA 0.548 4.674 4.120 0.009 0.000 0.274 403 V C -0.556 175.560 176.094 0.036 0.000 1.001 403 V CA -0.157 62.169 62.300 0.043 0.000 0.890 403 V CB 1.284 33.118 31.823 0.019 0.000 1.225 403 V HN 0.829 nan 8.190 nan 0.000 0.411 404 K N 0.224 120.641 120.400 0.029 0.000 3.446 404 K HA 0.347 4.673 4.320 0.009 0.000 0.168 404 K C -0.859 175.750 176.600 0.015 0.000 1.108 404 K CA -0.049 56.253 56.287 0.025 0.000 0.738 404 K CB 0.100 32.622 32.500 0.036 0.000 0.912 404 K HN 0.375 nan 8.250 nan 0.000 0.541 405 V N -0.212 119.705 119.914 0.005 0.000 3.960 405 V HA 0.097 4.223 4.120 0.009 0.000 0.274 405 V C 2.097 178.192 176.094 0.003 0.000 0.973 405 V CA 0.902 63.201 62.300 -0.002 0.000 0.981 405 V CB 0.079 31.897 31.823 -0.008 0.000 1.222 405 V HN 0.595 nan 8.190 nan 0.000 0.437 406 G N -0.963 107.837 108.800 0.000 0.000 2.469 406 G HA2 -0.173 3.793 3.960 0.009 0.000 0.219 406 G HA3 -0.173 3.793 3.960 0.009 0.000 0.219 406 G C 1.287 176.190 174.900 0.004 0.000 1.150 406 G CA 1.719 46.821 45.100 0.003 0.000 0.763 406 G HN 0.684 nan 8.290 nan 0.000 0.561 407 T N -0.614 113.943 114.554 0.004 0.000 3.232 407 T HA 0.181 4.537 4.350 0.009 0.000 0.259 407 T C 0.039 174.742 174.700 0.006 0.000 0.987 407 T CA 0.284 62.387 62.100 0.005 0.000 1.096 407 T CB 0.488 69.358 68.868 0.004 0.000 1.131 407 T HN 0.514 nan 8.240 nan 0.000 0.445 408 E N 3.469 123.672 120.200 0.005 0.000 2.220 408 E HA 0.440 4.796 4.350 0.009 0.000 0.256 408 E C -0.262 176.342 176.600 0.007 0.000 0.881 408 E CA -0.920 55.484 56.400 0.006 0.000 0.766 408 E CB 0.923 30.627 29.700 0.005 0.000 1.187 408 E HN 0.165 nan 8.360 nan 0.000 0.419 409 M N 1.404 121.010 119.600 0.010 0.000 2.501 409 M HA 0.102 4.588 4.480 0.009 0.000 0.363 409 M C -0.747 175.560 176.300 0.011 0.000 1.708 409 M CA 0.076 55.384 55.300 0.013 0.000 1.078 409 M CB -0.585 32.025 32.600 0.018 0.000 2.107 409 M HN 0.265 nan 8.290 nan 0.000 0.466 410 V N 3.986 123.905 119.914 0.009 0.000 2.407 410 V HA 0.207 4.332 4.120 0.009 0.000 0.278 410 V C 0.973 177.074 176.094 0.011 0.000 1.037 410 V CA -0.529 61.776 62.300 0.008 0.000 0.900 410 V CB 1.401 33.225 31.823 0.002 0.000 0.983 410 V HN 0.986 nan 8.190 nan 0.000 0.459 411 T N 4.979 119.541 114.554 0.013 0.000 2.928 411 T HA 0.099 4.455 4.350 0.009 0.000 0.305 411 T C -0.010 174.699 174.700 0.015 0.000 1.035 411 T CA 0.020 62.130 62.100 0.016 0.000 1.145 411 T CB -0.040 68.837 68.868 0.014 0.000 0.963 411 T HN 0.713 nan 8.240 nan 0.000 0.545 412 K N 4.145 124.557 120.400 0.021 0.000 2.264 412 K HA 0.502 4.828 4.320 0.009 0.000 0.277 412 K C 0.755 177.366 176.600 0.018 0.000 1.067 412 K CA -0.693 55.606 56.287 0.019 0.000 0.900 412 K CB 0.387 32.904 32.500 0.029 0.000 1.124 412 K HN 0.795 nan 8.250 nan 0.000 0.469 413 G N 2.740 111.548 108.800 0.013 0.000 2.349 413 G HA2 -0.108 3.858 3.960 0.009 0.000 0.232 413 G HA3 -0.108 3.858 3.960 0.009 0.000 0.232 413 G C -0.495 174.413 174.900 0.013 0.000 1.240 413 G CA -0.053 45.054 45.100 0.011 0.000 0.870 413 G HN 0.535 nan 8.290 nan 0.000 0.528 414 Q N 0.831 120.634 119.800 0.005 0.000 2.413 414 Q HA 0.223 4.568 4.340 0.009 0.000 0.258 414 Q C -0.054 175.943 176.000 -0.005 0.000 1.037 414 Q CA -0.750 55.052 55.803 -0.002 0.000 0.764 414 Q CB 0.471 29.195 28.738 -0.024 0.000 1.217 414 Q HN 0.733 nan 8.270 nan 0.000 0.490 415 N N 2.115 120.819 118.700 0.007 0.000 2.479 415 N HA 0.024 4.770 4.740 0.009 0.000 0.257 415 N C 0.708 176.217 175.510 -0.002 0.000 1.232 415 N CA -0.162 52.894 53.050 0.009 0.000 0.920 415 N CB 0.699 39.197 38.487 0.020 0.000 1.105 415 N HN 0.552 nan 8.380 nan 0.000 0.444 416 L N -0.270 120.953 121.223 0.001 0.000 2.197 416 L HA -0.315 4.031 4.340 0.009 0.000 0.215 416 L C 2.006 178.876 176.870 -0.001 0.000 1.095 416 L CA 1.511 56.348 54.840 -0.006 0.000 0.764 416 L CB -0.661 41.410 42.059 0.020 0.000 0.897 416 L HN 0.657 nan 8.230 nan 0.000 0.436 417 Q N -0.130 119.678 119.800 0.014 0.000 1.353 417 Q HA -0.311 4.035 4.340 0.009 0.000 0.634 417 Q C 1.927 177.940 176.000 0.021 0.000 0.941 417 Q CA 1.541 57.358 55.803 0.023 0.000 0.895 417 Q CB -0.570 28.188 28.738 0.032 0.000 0.930 417 Q HN 0.360 nan 8.270 nan 0.000 0.338 418 Q N 0.411 120.234 119.800 0.039 0.000 2.226 418 Q HA -0.323 4.023 4.340 0.009 0.000 0.220 418 Q C 1.945 177.955 176.000 0.016 0.000 1.037 418 Q CA 3.287 59.123 55.803 0.056 0.000 0.940 418 Q CB -0.448 28.350 28.738 0.100 0.000 1.037 418 Q HN 0.453 nan 8.270 nan 0.000 0.420 419 V N -1.301 118.604 119.914 -0.015 0.000 2.255 419 V HA -0.226 3.899 4.120 0.009 0.000 0.243 419 V C 2.426 178.490 176.094 -0.050 0.000 1.038 419 V CA 1.860 64.124 62.300 -0.061 0.000 1.008 419 V CB -1.067 30.672 31.823 -0.140 0.000 0.645 419 V HN 0.417 nan 8.190 nan 0.000 0.449 420 I N 1.524 122.071 120.570 -0.039 0.000 2.182 420 I HA -0.333 3.843 4.170 0.009 0.000 0.248 420 I C 2.622 178.765 176.117 0.044 0.000 1.073 420 I CA 2.317 63.624 61.300 0.010 0.000 1.335 420 I CB -0.577 37.444 38.000 0.034 0.000 1.031 420 I HN 0.474 nan 8.210 nan 0.000 0.420 421 N N -0.378 118.338 118.700 0.028 0.000 2.251 421 N HA -0.118 4.628 4.740 0.009 0.000 0.181 421 N C 1.932 177.450 175.510 0.013 0.000 1.019 421 N CA 1.221 54.288 53.050 0.029 0.000 0.862 421 N CB -0.343 38.152 38.487 0.013 0.000 0.992 421 N HN 0.211 nan 8.380 nan 0.000 0.429 422 S N 0.867 116.557 115.700 -0.016 0.000 2.392 422 S HA -0.111 4.365 4.470 0.009 0.000 0.232 422 S C 2.045 176.645 174.600 0.001 0.000 1.041 422 S CA 1.051 59.225 58.200 -0.043 0.000 1.026 422 S CB -0.186 62.981 63.200 -0.055 0.000 0.845 422 S HN 0.073 nan 8.310 nan 0.000 0.465 423 V N 1.061 120.994 119.914 0.031 0.000 2.323 423 V HA -0.012 4.114 4.120 0.009 0.000 0.244 423 V C 2.721 178.901 176.094 0.143 0.000 1.041 423 V CA 1.712 64.060 62.300 0.080 0.000 1.025 423 V CB -1.473 30.399 31.823 0.082 0.000 0.656 423 V HN 0.617 nan 8.190 nan 0.000 0.451 424 G N -0.426 108.471 108.800 0.162 0.000 2.499 424 G HA2 -0.217 3.749 3.960 0.009 0.000 0.221 424 G HA3 -0.217 3.749 3.960 0.009 0.000 0.221 424 G C 1.623 176.588 174.900 0.108 0.000 1.109 424 G CA 1.142 46.354 45.100 0.187 0.000 0.749 424 G HN 0.612 nan 8.290 nan 0.000 0.568 425 A N 0.100 122.962 122.820 0.070 0.000 1.930 425 A HA 0.254 4.579 4.320 0.009 0.000 0.215 425 A C 2.244 179.871 177.584 0.073 0.000 1.176 425 A CA 1.359 53.418 52.037 0.037 0.000 0.632 425 A CB -0.275 18.713 19.000 -0.021 0.000 0.819 425 A HN 0.418 nan 8.150 nan 0.000 0.445 426 L N 0.008 121.292 121.223 0.102 0.000 2.072 426 L HA 0.039 4.385 4.340 0.009 0.000 0.205 426 L C 2.686 179.666 176.870 0.183 0.000 1.079 426 L CA 2.423 57.350 54.840 0.144 0.000 0.752 426 L CB -1.005 41.136 42.059 0.137 0.000 0.906 426 L HN 0.413 nan 8.230 nan 0.000 0.436 427 S N -0.062 115.763 115.700 0.208 0.000 2.359 427 S HA -0.297 4.178 4.470 0.009 0.000 0.223 427 S C 1.953 176.694 174.600 0.235 0.000 1.039 427 S CA 2.321 60.680 58.200 0.264 0.000 1.042 427 S CB -0.480 62.966 63.200 0.410 0.000 0.915 427 S HN 0.592 nan 8.310 nan 0.000 0.439 428 K N 0.267 120.768 120.400 0.168 0.000 1.997 428 K HA 0.059 4.384 4.320 0.009 0.000 0.212 428 K C 2.404 179.102 176.600 0.162 0.000 1.033 428 K CA 0.928 57.304 56.287 0.149 0.000 0.950 428 K CB -0.722 31.819 32.500 0.069 0.000 0.751 428 K HN 0.295 nan 8.250 nan 0.000 0.444 429 S N 1.387 117.140 115.700 0.087 0.000 2.465 429 S HA -0.250 4.226 4.470 0.009 0.000 0.263 429 S C 1.973 176.572 174.600 -0.003 0.000 1.135 429 S CA 2.195 60.407 58.200 0.020 0.000 1.118 429 S CB -0.539 62.656 63.200 -0.009 0.000 0.994 429 S HN 0.363 nan 8.310 nan 0.000 0.455 430 L N -0.090 121.189 121.223 0.094 0.000 1.988 430 L HA 0.071 4.416 4.340 0.009 0.000 0.207 430 L C 2.081 179.025 176.870 0.123 0.000 1.071 430 L CA 2.389 57.297 54.840 0.113 0.000 0.744 430 L CB -1.741 40.476 42.059 0.264 0.000 0.893 430 L HN 0.349 nan 8.230 nan 0.000 0.433 431 Y N 1.115 121.483 120.300 0.114 0.000 2.002 431 Y HA -0.413 4.142 4.550 0.008 0.000 0.268 431 Y C 2.577 178.533 175.900 0.093 0.000 1.177 431 Y CA 2.418 60.601 58.100 0.138 0.000 1.111 431 Y CB -0.690 37.869 38.460 0.165 0.000 0.952 431 Y HN 0.522 nan 8.280 nan 0.000 0.491 432 D N -0.938 119.624 120.400 0.269 0.000 2.204 432 D HA -0.282 4.364 4.640 0.009 0.000 0.189 432 D C 2.094 178.456 176.300 0.103 0.000 1.006 432 D CA 2.578 56.665 54.000 0.146 0.000 0.855 432 D CB -0.118 40.722 40.800 0.067 0.000 0.946 432 D HN 0.367 nan 8.370 nan 0.000 0.448 433 R N -0.143 120.369 120.500 0.020 0.000 2.070 433 R HA -0.015 4.331 4.340 0.009 0.000 0.232 433 R C 2.516 178.848 176.300 0.052 0.000 1.138 433 R CA 1.343 57.438 56.100 -0.009 0.000 0.936 433 R CB -0.631 29.590 30.300 -0.132 0.000 0.839 433 R HN 0.274 nan 8.270 nan 0.000 0.429 434 M N 0.243 119.851 119.600 0.012 0.000 2.699 434 M HA -0.191 4.295 4.480 0.009 0.000 0.253 434 M C 0.764 177.051 176.300 -0.020 0.000 1.062 434 M CA 1.407 56.708 55.300 0.002 0.000 1.050 434 M CB 0.054 32.598 32.600 -0.092 0.000 1.380 434 M HN 0.213 nan 8.290 nan 0.000 0.520 435 F N -0.240 119.589 119.950 -0.202 0.000 2.482 435 F HA 0.133 4.666 4.527 0.009 0.000 0.278 435 F C 1.865 177.538 175.800 -0.212 0.000 0.969 435 F CA 0.598 58.414 58.000 -0.306 0.000 1.223 435 F CB -0.394 38.440 39.000 -0.277 0.000 1.140 435 F HN 0.088 nan 8.300 nan 0.000 0.672 436 N N 0.178 118.903 118.700 0.041 0.000 2.192 436 N HA -0.269 4.477 4.740 0.009 0.000 0.188 436 N C 1.577 177.030 175.510 -0.096 0.000 1.013 436 N CA 1.674 54.693 53.050 -0.052 0.000 0.863 436 N CB -0.871 37.619 38.487 0.004 0.000 0.990 436 N HN 0.532 nan 8.380 nan 0.000 0.430 437 W N 1.970 123.148 121.300 -0.204 0.000 2.418 437 W HA -0.047 4.619 4.660 0.009 0.000 0.319 437 W C 2.175 178.527 176.519 -0.279 0.000 1.183 437 W CA 0.529 57.757 57.345 -0.195 0.000 1.327 437 W CB -0.904 28.475 29.460 -0.134 0.000 1.163 437 W HN -0.021 nan 8.180 nan 0.000 0.479 438 L N 1.031 122.027 121.223 -0.378 0.000 2.123 438 L HA -0.276 4.070 4.340 0.009 0.000 0.217 438 L C 2.072 178.466 176.870 -0.795 0.000 1.081 438 L CA 2.414 56.811 54.840 -0.739 0.000 0.772 438 L CB -1.549 40.122 42.059 -0.646 0.000 0.890 438 L HN 0.084 nan 8.230 nan 0.000 0.437 439 V N -0.177 119.323 119.914 -0.690 0.000 2.222 439 V HA -0.331 3.794 4.120 0.009 0.000 0.240 439 V C 2.455 178.244 176.094 -0.508 0.000 1.040 439 V CA 2.211 64.169 62.300 -0.571 0.000 0.988 439 V CB -0.708 30.839 31.823 -0.460 0.000 0.633 439 V HN 0.462 nan 8.190 nan 0.000 0.452 440 K N 0.045 120.185 120.400 -0.434 0.000 2.206 440 K HA -0.365 3.960 4.320 0.009 0.000 0.211 440 K C 2.381 178.698 176.600 -0.472 0.000 1.047 440 K CA 2.568 58.627 56.287 -0.381 0.000 0.933 440 K CB -0.557 31.763 32.500 -0.300 0.000 0.721 440 K HN 0.579 nan 8.250 nan 0.000 0.471 441 R N 1.091 121.175 120.500 -0.693 0.000 2.075 441 R HA -0.089 4.257 4.340 0.009 0.000 0.230 441 R C 2.458 178.409 176.300 -0.583 0.000 1.140 441 R CA 2.064 57.719 56.100 -0.743 0.000 0.928 441 R CB -1.859 27.789 30.300 -1.085 0.000 0.834 441 R HN 0.231 nan 8.270 nan 0.000 0.429 442 V N -0.253 119.315 119.914 -0.576 0.000 3.026 442 V HA -0.166 3.960 4.120 0.009 0.000 0.265 442 V C 1.851 177.744 176.094 -0.334 0.000 1.121 442 V CA 1.753 63.788 62.300 -0.442 0.000 1.142 442 V CB -0.848 30.734 31.823 -0.402 0.000 0.730 442 V HN 0.651 nan 8.190 nan 0.000 0.503 443 N N 0.564 119.062 118.700 -0.336 0.000 2.422 443 N HA -0.023 4.722 4.740 0.009 0.000 0.181 443 N C 1.919 177.282 175.510 -0.245 0.000 1.080 443 N CA 0.699 53.591 53.050 -0.264 0.000 0.893 443 N CB 0.100 38.431 38.487 -0.259 0.000 0.973 443 N HN 0.539 nan 8.380 nan 0.000 0.456 444 R N -0.414 119.918 120.500 -0.280 0.000 2.062 444 R HA 0.089 4.435 4.340 0.009 0.000 0.218 444 R C 1.755 177.923 176.300 -0.219 0.000 1.161 444 R CA 1.062 57.018 56.100 -0.241 0.000 0.994 444 R CB -0.323 29.817 30.300 -0.267 0.000 0.888 444 R HN 0.082 nan 8.270 nan 0.000 0.442 445 T N 1.736 116.135 114.554 -0.259 0.000 2.680 445 T HA -0.166 4.190 4.350 0.009 0.000 0.268 445 T C 1.471 176.071 174.700 -0.166 0.000 1.033 445 T CA 1.356 63.326 62.100 -0.217 0.000 1.152 445 T CB -0.081 68.633 68.868 -0.257 0.000 0.859 445 T HN 0.168 nan 8.240 nan 0.000 0.452 446 L N 0.511 121.630 121.223 -0.172 0.000 2.607 446 L HA 0.232 4.578 4.340 0.009 0.000 0.228 446 L C 1.433 178.217 176.870 -0.144 0.000 1.123 446 L CA 0.030 54.784 54.840 -0.143 0.000 0.890 446 L CB -0.051 41.925 42.059 -0.138 0.000 1.103 446 L HN 0.052 nan 8.230 nan 0.000 0.468 447 D N 0.654 120.960 120.400 -0.156 0.000 2.396 447 D HA -0.103 4.543 4.640 0.009 0.000 0.255 447 D C 1.371 177.591 176.300 -0.133 0.000 1.224 447 D CA 0.319 54.226 54.000 -0.155 0.000 0.894 447 D CB 0.025 40.729 40.800 -0.160 0.000 0.939 447 D HN 0.208 nan 8.370 nan 0.000 0.506 448 T N -1.072 113.410 114.554 -0.121 0.000 3.816 448 T HA -0.165 4.191 4.350 0.009 0.000 0.256 448 T C 0.694 175.333 174.700 -0.103 0.000 1.117 448 T CA -0.462 61.577 62.100 -0.102 0.000 0.973 448 T CB -0.952 67.862 68.868 -0.091 0.000 1.070 448 T HN 0.342 nan 8.240 nan 0.000 0.604 449 K N -0.164 120.166 120.400 -0.118 0.000 2.558 449 K HA -0.026 4.299 4.320 0.009 0.000 0.269 449 K C 0.614 177.155 176.600 -0.099 0.000 0.999 449 K CA 0.646 56.860 56.287 -0.122 0.000 1.103 449 K CB 0.012 32.437 32.500 -0.126 0.000 0.800 449 K HN 0.300 nan 8.250 nan 0.000 0.475 450 A N 2.827 125.588 122.820 -0.099 0.000 2.007 450 A HA 0.225 4.550 4.320 0.009 0.000 0.200 450 A C -0.056 177.484 177.584 -0.073 0.000 2.019 450 A CA 0.736 52.727 52.037 -0.077 0.000 1.002 450 A CB 0.356 19.311 19.000 -0.076 0.000 1.213 450 A HN 0.752 nan 8.150 nan 0.000 0.635 451 K N -0.343 120.009 120.400 -0.079 0.000 2.572 451 K HA 0.568 4.894 4.320 0.009 0.000 0.263 451 K C -1.757 174.795 176.600 -0.080 0.000 0.932 451 K CA -0.220 56.025 56.287 -0.071 0.000 0.838 451 K CB 1.464 33.940 32.500 -0.040 0.000 1.366 451 K HN 0.373 nan 8.250 nan 0.000 0.425 452 R N 2.610 123.052 120.500 -0.097 0.000 2.628 452 R HA 0.462 4.808 4.340 0.009 0.000 0.288 452 R C -0.239 176.002 176.300 -0.099 0.000 0.980 452 R CA -0.868 55.172 56.100 -0.099 0.000 0.891 452 R CB 1.653 31.818 30.300 -0.225 0.000 1.188 452 R HN 0.661 nan 8.270 nan 0.000 0.450 453 N N 0.240 118.887 118.700 -0.088 0.000 2.441 453 N HA 0.130 4.876 4.740 0.009 0.000 0.257 453 N C -0.846 174.310 175.510 -0.590 0.000 1.058 453 N CA 0.810 53.625 53.050 -0.392 0.000 0.853 453 N CB 0.613 38.820 38.487 -0.466 0.000 1.694 453 N HN 0.388 nan 8.380 nan 0.000 0.542 454 Y N -1.134 119.290 120.300 0.207 0.000 3.068 454 Y HA 0.542 5.097 4.550 0.009 0.000 0.302 454 Y C -0.817 175.273 175.900 0.317 0.000 1.610 454 Y CA -1.096 57.105 58.100 0.169 0.000 1.078 454 Y CB 0.659 39.122 38.460 0.004 0.000 1.418 454 Y HN -0.001 nan 8.280 nan 0.000 0.525 455 Y N -2.349 118.097 120.300 0.242 0.000 2.851 455 Y HA 0.670 5.226 4.550 0.010 0.000 0.359 455 Y C -2.035 173.865 175.900 -0.001 0.000 1.231 455 Y CA -2.002 56.119 58.100 0.036 0.000 1.106 455 Y CB 0.848 38.960 38.460 -0.580 0.000 1.409 455 Y HN 0.392 nan 8.280 nan 0.000 0.454 456 I N 2.376 123.066 120.570 0.200 0.000 2.867 456 I HA 0.416 4.591 4.170 0.009 0.000 0.282 456 I C 0.535 176.819 176.117 0.279 0.000 1.437 456 I CA -0.566 60.793 61.300 0.099 0.000 0.918 456 I CB 0.978 38.869 38.000 -0.181 0.000 1.612 456 I HN 0.986 nan 8.210 nan 0.000 0.592 457 G N 2.313 111.360 108.800 0.412 0.000 2.664 457 G HA2 0.359 4.324 3.960 0.009 0.000 0.242 457 G HA3 0.359 4.324 3.960 0.009 0.000 0.242 457 G C -0.188 175.040 174.900 0.547 0.000 1.225 457 G CA 0.028 45.333 45.100 0.343 0.000 0.849 457 G HN 0.225 nan 8.290 nan 0.000 0.581 458 V N 2.509 122.728 119.914 0.509 0.000 2.454 458 V HA 0.164 4.289 4.120 0.009 0.000 0.267 458 V C -0.158 176.070 176.094 0.222 0.000 0.993 458 V CA -0.719 61.752 62.300 0.285 0.000 0.836 458 V CB 0.723 32.652 31.823 0.176 0.000 1.055 458 V HN 0.722 nan 8.190 nan 0.000 0.452 459 L N 3.416 124.630 121.223 -0.014 0.000 2.426 459 L HA 0.697 5.043 4.340 0.009 0.000 0.271 459 L C -0.235 176.537 176.870 -0.163 0.000 1.169 459 L CA 0.596 55.296 54.840 -0.234 0.000 0.836 459 L CB 1.054 42.691 42.059 -0.704 0.000 1.112 459 L HN 0.821 nan 8.230 nan 0.000 0.465 460 D N 4.349 124.656 120.400 -0.154 0.000 2.855 460 D HA 0.533 5.179 4.640 0.009 0.000 0.241 460 D C -1.354 174.838 176.300 -0.180 0.000 1.277 460 D CA -0.253 53.660 54.000 -0.145 0.000 0.918 460 D CB 0.815 41.546 40.800 -0.114 0.000 1.462 460 D HN 0.583 nan 8.370 nan 0.000 0.559 461 I N 2.106 122.572 120.570 -0.173 0.000 2.730 461 I HA 0.593 4.769 4.170 0.009 0.000 0.298 461 I C -0.034 176.007 176.117 -0.127 0.000 1.089 461 I CA -1.396 59.803 61.300 -0.169 0.000 1.041 461 I CB 2.159 40.047 38.000 -0.187 0.000 1.235 461 I HN 0.693 nan 8.210 nan 0.000 0.423 462 A N 4.088 126.843 122.820 -0.109 0.000 2.545 462 A HA 0.471 4.797 4.320 0.009 0.000 0.253 462 A C 0.508 178.055 177.584 -0.062 0.000 1.074 462 A CA 0.319 52.314 52.037 -0.069 0.000 0.760 462 A CB -0.376 18.597 19.000 -0.045 0.000 1.005 462 A HN 0.860 nan 8.150 nan 0.000 0.506 463 G N 1.046 109.823 108.800 -0.038 0.000 2.562 463 G HA2 0.449 4.415 3.960 0.009 0.000 0.275 463 G HA3 0.449 4.415 3.960 0.009 0.000 0.275 463 G C 0.032 174.953 174.900 0.035 0.000 1.196 463 G CA -0.803 44.294 45.100 -0.007 0.000 0.908 463 G HN 0.758 nan 8.290 nan 0.000 0.524 464 F N -0.378 119.514 119.950 -0.096 0.000 2.408 464 F HA -0.120 4.412 4.527 0.009 0.000 0.310 464 F C 0.882 176.561 175.800 -0.202 0.000 0.925 464 F CA 1.254 59.159 58.000 -0.159 0.000 1.166 464 F CB 0.495 39.396 39.000 -0.165 0.000 0.895 464 F HN 0.398 nan 8.300 nan 0.000 0.626 465 E N 5.360 125.643 120.200 0.137 0.000 2.294 465 E HA 0.394 4.749 4.350 0.009 0.000 0.272 465 E C -1.163 175.253 176.600 -0.306 0.000 0.896 465 E CA -0.556 55.693 56.400 -0.251 0.000 0.802 465 E CB 1.698 31.043 29.700 -0.592 0.000 1.267 465 E HN 0.378 nan 8.360 nan 0.000 0.406 466 I N 3.977 124.378 120.570 -0.281 0.000 2.418 466 I HA 0.461 4.637 4.170 0.009 0.000 0.287 466 I C -0.887 175.134 176.117 -0.160 0.000 1.008 466 I CA -0.601 60.635 61.300 -0.106 0.000 1.104 466 I CB 0.557 38.624 38.000 0.112 0.000 1.264 466 I HN 0.333 nan 8.210 nan 0.000 0.438 467 F N 2.740 122.749 119.950 0.100 0.000 2.661 467 F HA 0.361 4.894 4.527 0.010 0.000 0.347 467 F C 1.398 177.239 175.800 0.069 0.000 1.086 467 F CA -1.216 56.822 58.000 0.063 0.000 1.016 467 F CB 0.481 39.514 39.000 0.055 0.000 1.368 467 F HN 0.383 nan 8.300 nan 0.000 0.505 468 D N 0.022 120.618 120.400 0.326 0.000 2.348 468 D HA -0.072 4.574 4.640 0.009 0.000 0.216 468 D C -0.282 176.210 176.300 0.319 0.000 0.970 468 D CA 1.452 55.585 54.000 0.222 0.000 0.889 468 D CB 0.252 41.139 40.800 0.146 0.000 0.912 468 D HN 0.157 nan 8.370 nan 0.000 0.524 469 F N 1.410 121.470 119.950 0.185 0.000 3.055 469 F HA 0.295 4.828 4.527 0.009 0.000 0.358 469 F C -1.768 174.187 175.800 0.259 0.000 1.262 469 F CA -1.251 56.853 58.000 0.172 0.000 1.172 469 F CB 0.134 39.209 39.000 0.126 0.000 1.503 469 F HN -0.362 nan 8.300 nan 0.000 0.621 470 N N 3.905 122.620 118.700 0.024 0.000 2.430 470 N HA 0.648 5.394 4.740 0.009 0.000 0.292 470 N C -0.844 174.651 175.510 -0.026 0.000 1.051 470 N CA -0.451 52.602 53.050 0.004 0.000 0.917 470 N CB 2.051 40.655 38.487 0.195 0.000 1.164 470 N HN 0.562 nan 8.380 nan 0.000 0.484 471 S N 0.700 116.400 115.700 0.000 0.000 3.081 471 S HA 0.315 4.791 4.470 0.009 0.000 0.316 471 S C 0.404 175.088 174.600 0.140 0.000 1.089 471 S CA -0.561 57.784 58.200 0.242 0.000 0.897 471 S CB 0.189 63.424 63.200 0.059 0.000 1.358 471 S HN 0.496 nan 8.310 nan 0.000 0.678 472 F N 2.183 121.890 119.950 -0.405 0.000 2.069 472 F HA 0.000 4.532 4.527 0.009 0.000 0.298 472 F C 2.037 177.455 175.800 -0.636 0.000 1.113 472 F CA 2.664 59.928 58.000 -1.227 0.000 1.214 472 F CB -0.773 37.333 39.000 -1.490 0.000 0.978 472 F HN 0.679 nan 8.300 nan 0.000 0.474 473 E N -0.044 119.872 120.200 -0.473 0.000 2.130 473 E HA -0.265 4.090 4.350 0.009 0.000 0.196 473 E C 2.094 178.466 176.600 -0.380 0.000 0.998 473 E CA 1.716 57.855 56.400 -0.435 0.000 0.806 473 E CB -0.259 29.349 29.700 -0.153 0.000 0.738 473 E HN 0.441 nan 8.360 nan 0.000 0.459 474 Q N 0.185 119.824 119.800 -0.267 0.000 1.965 474 Q HA -0.076 4.270 4.340 0.009 0.000 0.200 474 Q C 2.043 177.817 176.000 -0.377 0.000 0.981 474 Q CA 0.850 56.521 55.803 -0.221 0.000 0.834 474 Q CB -0.663 28.053 28.738 -0.036 0.000 0.900 474 Q HN 0.243 nan 8.270 nan 0.000 0.426 475 L N 0.260 121.137 121.223 -0.576 0.000 2.171 475 L HA -0.316 4.029 4.340 0.009 0.000 0.216 475 L C 1.692 178.264 176.870 -0.497 0.000 1.084 475 L CA 1.965 56.329 54.840 -0.793 0.000 0.771 475 L CB -0.968 40.585 42.059 -0.843 0.000 0.890 475 L HN 0.404 nan 8.230 nan 0.000 0.437 476 C N -0.064 118.892 119.300 -0.572 0.000 2.543 476 C HA -0.096 4.370 4.460 0.009 0.000 0.281 476 C C 2.757 177.599 174.990 -0.246 0.000 1.276 476 C CA 0.301 59.026 59.018 -0.488 0.000 1.700 476 C CB -0.722 26.593 27.740 -0.710 0.000 2.093 476 C HN 0.563 nan 8.230 nan 0.000 0.488 477 I N 2.575 123.001 120.570 -0.240 0.000 2.185 477 I HA -0.240 3.936 4.170 0.009 0.000 0.246 477 I C 1.959 177.897 176.117 -0.298 0.000 1.088 477 I CA 1.744 62.929 61.300 -0.191 0.000 1.347 477 I CB -2.060 35.824 38.000 -0.193 0.000 1.041 477 I HN 0.564 nan 8.210 nan 0.000 0.415 478 N N 0.231 118.637 118.700 -0.489 0.000 2.006 478 N HA -0.273 4.473 4.740 0.009 0.000 0.196 478 N C 2.082 177.354 175.510 -0.397 0.000 1.057 478 N CA 1.447 54.002 53.050 -0.825 0.000 0.853 478 N CB -0.622 37.157 38.487 -1.179 0.000 1.051 478 N HN 0.257 nan 8.380 nan 0.000 0.423 479 Y N 2.431 122.530 120.300 -0.334 0.000 2.038 479 Y HA -0.349 4.206 4.550 0.009 0.000 0.266 479 Y C 2.401 178.258 175.900 -0.072 0.000 1.220 479 Y CA 1.790 59.807 58.100 -0.137 0.000 1.107 479 Y CB -1.190 37.170 38.460 -0.166 0.000 0.932 479 Y HN 0.009 nan 8.280 nan 0.000 0.500 480 T N 1.595 115.985 114.554 -0.273 0.000 2.516 480 T HA -0.273 4.082 4.350 0.009 0.000 0.261 480 T C 1.688 176.270 174.700 -0.198 0.000 1.130 480 T CA 1.970 63.880 62.100 -0.316 0.000 1.193 480 T CB -0.569 68.204 68.868 -0.159 0.000 0.864 480 T HN 0.492 nan 8.240 nan 0.000 0.410 481 N N 0.763 119.385 118.700 -0.131 0.000 2.049 481 N HA -0.192 4.554 4.740 0.009 0.000 0.198 481 N C 1.910 177.519 175.510 0.165 0.000 1.030 481 N CA 1.741 54.797 53.050 0.010 0.000 0.870 481 N CB -0.648 37.856 38.487 0.027 0.000 1.045 481 N HN 0.426 nan 8.380 nan 0.000 0.434 482 E N 1.247 121.527 120.200 0.133 0.000 2.114 482 E HA -0.182 4.174 4.350 0.009 0.000 0.199 482 E C 1.910 178.672 176.600 0.269 0.000 1.008 482 E CA 1.351 57.943 56.400 0.318 0.000 0.810 482 E CB 0.010 29.872 29.700 0.270 0.000 0.739 482 E HN 0.186 nan 8.360 nan 0.000 0.456 483 R N -0.198 120.373 120.500 0.118 0.000 2.066 483 R HA -0.039 4.307 4.340 0.009 0.000 0.232 483 R C 2.601 178.960 176.300 0.098 0.000 1.131 483 R CA 1.023 57.164 56.100 0.069 0.000 0.955 483 R CB -0.942 29.281 30.300 -0.128 0.000 0.851 483 R HN 0.333 nan 8.270 nan 0.000 0.432 484 L N 0.880 122.138 121.223 0.059 0.000 1.955 484 L HA -0.285 4.061 4.340 0.009 0.000 0.213 484 L C 2.705 179.713 176.870 0.229 0.000 1.072 484 L CA 1.748 56.656 54.840 0.113 0.000 0.755 484 L CB -0.500 41.580 42.059 0.035 0.000 0.888 484 L HN 0.161 nan 8.230 nan 0.000 0.432 485 Q N 0.207 120.086 119.800 0.132 0.000 2.133 485 Q HA -0.313 4.033 4.340 0.009 0.000 0.208 485 Q C 1.956 178.059 176.000 0.172 0.000 0.991 485 Q CA 2.338 58.157 55.803 0.026 0.000 0.867 485 Q CB -0.433 28.049 28.738 -0.426 0.000 0.911 485 Q HN 0.504 nan 8.270 nan 0.000 0.417 486 Q N -1.051 118.870 119.800 0.201 0.000 1.967 486 Q HA -0.250 4.096 4.340 0.009 0.000 0.210 486 Q C 1.829 177.991 176.000 0.269 0.000 1.005 486 Q CA 2.212 58.149 55.803 0.224 0.000 0.862 486 Q CB -0.705 28.161 28.738 0.214 0.000 0.939 486 Q HN 0.483 nan 8.270 nan 0.000 0.417 487 F N 0.824 120.855 119.950 0.135 0.000 2.064 487 F HA -0.373 4.160 4.527 0.010 0.000 0.293 487 F C 1.863 177.803 175.800 0.235 0.000 1.086 487 F CA 2.371 60.450 58.000 0.131 0.000 1.242 487 F CB -1.186 37.869 39.000 0.092 0.000 0.970 487 F HN 0.369 nan 8.300 nan 0.000 0.494 488 F N 1.214 121.119 119.950 -0.075 0.000 2.046 488 F HA -0.231 4.302 4.527 0.010 0.000 0.297 488 F C 2.285 178.067 175.800 -0.031 0.000 1.123 488 F CA 2.490 60.405 58.000 -0.142 0.000 1.199 488 F CB -1.188 37.745 39.000 -0.112 0.000 0.972 488 F HN 0.140 nan 8.300 nan 0.000 0.474 489 N N -0.809 117.923 118.700 0.054 0.000 2.058 489 N HA -0.411 4.334 4.740 0.009 0.000 0.200 489 N C 1.890 177.438 175.510 0.064 0.000 1.033 489 N CA 1.878 54.946 53.050 0.030 0.000 0.880 489 N CB -0.760 37.843 38.487 0.195 0.000 1.069 489 N HN 0.475 nan 8.380 nan 0.000 0.461 490 H N -0.175 118.908 119.070 0.021 0.000 2.357 490 H HA -0.219 4.342 4.556 0.009 0.000 0.296 490 H C 2.260 177.646 175.328 0.096 0.000 1.108 490 H CA 2.217 58.283 56.048 0.029 0.000 1.273 490 H CB -0.106 29.656 29.762 -0.001 0.000 1.367 490 H HN 0.326 nan 8.280 nan 0.000 0.498 491 H N -0.000 119.020 119.070 -0.084 0.000 2.256 491 H HA -0.147 4.414 4.556 0.010 0.000 0.299 491 H C 2.416 177.616 175.328 -0.214 0.000 1.071 491 H CA 2.058 57.996 56.048 -0.183 0.000 1.280 491 H CB -0.563 28.960 29.762 -0.398 0.000 1.370 491 H HN 0.436 nan 8.280 nan 0.000 0.490 492 M N -0.495 118.807 119.600 -0.496 0.000 2.530 492 M HA -0.140 4.346 4.480 0.009 0.000 0.261 492 M C 1.525 177.778 176.300 -0.078 0.000 1.067 492 M CA 1.249 56.255 55.300 -0.490 0.000 1.071 492 M CB -0.278 31.871 32.600 -0.751 0.000 1.405 492 M HN 0.369 nan 8.290 nan 0.000 0.478 493 F N 0.138 120.081 119.950 -0.012 0.000 2.074 493 F HA -0.104 4.428 4.527 0.009 0.000 0.290 493 F C 1.755 177.502 175.800 -0.088 0.000 1.118 493 F CA 1.629 59.701 58.000 0.120 0.000 1.199 493 F CB -0.689 38.158 39.000 -0.254 0.000 1.012 493 F HN -0.122 nan 8.300 nan 0.000 0.472 494 V N 1.437 121.337 119.914 -0.023 0.000 2.407 494 V HA -0.299 3.826 4.120 0.009 0.000 0.248 494 V C 2.589 178.564 176.094 -0.199 0.000 1.055 494 V CA 1.786 63.996 62.300 -0.150 0.000 1.049 494 V CB -0.801 31.074 31.823 0.087 0.000 0.662 494 V HN 0.453 nan 8.190 nan 0.000 0.455 495 L N -0.336 120.757 121.223 -0.217 0.000 2.127 495 L HA -0.160 4.186 4.340 0.009 0.000 0.211 495 L C 2.729 179.476 176.870 -0.204 0.000 1.089 495 L CA 1.379 56.073 54.840 -0.244 0.000 0.757 495 L CB -0.446 41.396 42.059 -0.362 0.000 0.899 495 L HN 0.423 nan 8.230 nan 0.000 0.434 496 E N -0.463 119.622 120.200 -0.192 0.000 2.051 496 E HA -0.229 4.127 4.350 0.009 0.000 0.189 496 E C 1.947 178.510 176.600 -0.062 0.000 0.979 496 E CA 0.645 56.972 56.400 -0.122 0.000 0.803 496 E CB -0.209 29.494 29.700 0.005 0.000 0.761 496 E HN 0.457 nan 8.360 nan 0.000 0.451 497 Q N 0.685 120.339 119.800 -0.243 0.000 2.389 497 Q HA -0.236 4.109 4.340 0.009 0.000 0.213 497 Q C 1.867 177.819 176.000 -0.080 0.000 0.989 497 Q CA 1.953 57.609 55.803 -0.246 0.000 0.891 497 Q CB 0.101 28.525 28.738 -0.523 0.000 0.923 497 Q HN 0.372 nan 8.270 nan 0.000 0.455 498 E N -0.844 119.309 120.200 -0.077 0.000 2.132 498 E HA -0.152 4.204 4.350 0.009 0.000 0.193 498 E C 1.759 178.344 176.600 -0.025 0.000 0.951 498 E CA 0.716 57.092 56.400 -0.041 0.000 0.843 498 E CB -0.332 29.335 29.700 -0.055 0.000 0.807 498 E HN 0.136 nan 8.360 nan 0.000 0.467 499 E N 0.190 120.339 120.200 -0.085 0.000 2.147 499 E HA -0.235 4.121 4.350 0.009 0.000 0.199 499 E C 1.531 178.092 176.600 -0.066 0.000 1.005 499 E CA 1.571 57.891 56.400 -0.133 0.000 0.810 499 E CB -0.438 29.094 29.700 -0.279 0.000 0.736 499 E HN 0.491 nan 8.360 nan 0.000 0.460 500 Y N 0.443 120.776 120.300 0.056 0.000 2.163 500 Y HA -0.051 4.505 4.550 0.009 0.000 0.288 500 Y C 2.071 178.005 175.900 0.057 0.000 1.136 500 Y CA 1.653 59.832 58.100 0.133 0.000 1.147 500 Y CB -0.062 38.447 38.460 0.082 0.000 0.987 500 Y HN 0.021 nan 8.280 nan 0.000 0.509 501 K N -0.039 120.465 120.400 0.174 0.000 2.432 501 K HA -0.088 4.237 4.320 0.009 0.000 0.196 501 K C 1.787 178.417 176.600 0.050 0.000 1.038 501 K CA 0.574 56.914 56.287 0.088 0.000 0.986 501 K CB 0.045 32.574 32.500 0.048 0.000 0.782 501 K HN 0.119 nan 8.250 nan 0.000 0.485 502 K N 1.147 121.571 120.400 0.040 0.000 2.444 502 K HA -0.038 4.287 4.320 0.009 0.000 0.193 502 K C 0.579 177.191 176.600 0.019 0.000 1.024 502 K CA 0.688 56.984 56.287 0.015 0.000 1.077 502 K CB 0.512 33.007 32.500 -0.008 0.000 0.833 502 K HN 0.020 nan 8.250 nan 0.000 0.517 503 E N -0.948 119.278 120.200 0.043 0.000 2.562 503 E HA 0.095 4.451 4.350 0.009 0.000 0.214 503 E C 0.998 177.591 176.600 -0.013 0.000 0.979 503 E CA 0.518 56.931 56.400 0.021 0.000 1.002 503 E CB 1.140 30.889 29.700 0.081 0.000 1.048 503 E HN 0.446 nan 8.360 nan 0.000 0.488 504 G N 2.032 110.842 108.800 0.016 0.000 2.507 504 G HA2 -0.320 3.646 3.960 0.009 0.000 0.240 504 G HA3 -0.320 3.646 3.960 0.009 0.000 0.240 504 G C 0.582 175.483 174.900 0.002 0.000 1.119 504 G CA 0.332 45.435 45.100 0.005 0.000 0.664 504 G HN 0.374 nan 8.290 nan 0.000 0.516 505 I N 2.716 123.263 120.570 -0.038 0.000 2.574 505 I HA 0.554 4.729 4.170 0.009 0.000 0.291 505 I C 0.250 176.446 176.117 0.132 0.000 1.131 505 I CA 1.742 63.004 61.300 -0.063 0.000 1.352 505 I CB -0.681 37.121 38.000 -0.330 0.000 1.431 505 I HN 1.047 nan 8.210 nan 0.000 0.543 506 Q N 9.301 129.178 119.800 0.127 0.000 2.380 506 Q HA 0.423 4.769 4.340 0.009 0.000 0.245 506 Q C -1.291 174.817 176.000 0.179 0.000 0.893 506 Q CA -0.858 55.038 55.803 0.156 0.000 0.922 506 Q CB 0.510 29.328 28.738 0.134 0.000 1.432 506 Q HN 0.767 nan 8.270 nan 0.000 0.434 507 W N 0.253 121.467 121.300 -0.142 0.000 2.612 507 W HA 0.971 5.637 4.660 0.010 0.000 0.605 507 W C -0.325 176.121 176.519 -0.122 0.000 1.350 507 W CA -0.402 56.886 57.345 -0.095 0.000 1.033 507 W CB 0.177 29.601 29.460 -0.061 0.000 3.224 507 W HN 0.642 nan 8.180 nan 0.000 0.737 508 E N -0.969 119.049 120.200 -0.302 0.000 2.439 508 E HA 0.483 4.838 4.350 0.009 0.000 0.279 508 E C -2.275 174.031 176.600 -0.489 0.000 1.077 508 E CA -0.779 55.332 56.400 -0.480 0.000 0.849 508 E CB 2.791 32.367 29.700 -0.206 0.000 1.408 508 E HN 0.320 nan 8.360 nan 0.000 0.457 509 F N 0.779 120.441 119.950 -0.480 0.000 2.601 509 F HA 0.435 4.968 4.527 0.009 0.000 0.309 509 F C -0.381 175.303 175.800 -0.194 0.000 1.089 509 F CA -0.919 56.881 58.000 -0.333 0.000 0.940 509 F CB 0.780 39.584 39.000 -0.327 0.000 1.273 509 F HN 0.374 nan 8.300 nan 0.000 0.450 510 I N 1.903 122.279 120.570 -0.323 0.000 3.332 510 I HA 0.030 4.205 4.170 0.009 0.000 0.280 510 I C 0.583 176.654 176.117 -0.077 0.000 1.285 510 I CA 0.048 61.251 61.300 -0.162 0.000 1.347 510 I CB -0.032 37.825 38.000 -0.239 0.000 1.353 510 I HN 0.479 nan 8.210 nan 0.000 0.611 511 D N 1.267 121.448 120.400 -0.365 0.000 2.455 511 D HA -0.031 4.615 4.640 0.009 0.000 0.241 511 D C 0.703 176.747 176.300 -0.428 0.000 1.138 511 D CA 0.169 53.596 54.000 -0.955 0.000 0.877 511 D CB 0.541 40.678 40.800 -1.105 0.000 1.187 511 D HN 0.351 nan 8.370 nan 0.000 0.451 512 F N 1.823 121.749 119.950 -0.039 0.000 2.163 512 F HA 0.084 4.616 4.527 0.009 0.000 0.297 512 F C 2.652 178.467 175.800 0.025 0.000 1.094 512 F CA 0.753 58.782 58.000 0.050 0.000 1.290 512 F CB -0.991 38.041 39.000 0.053 0.000 1.017 512 F HN 0.529 nan 8.300 nan 0.000 0.483 513 G N -0.385 108.505 108.800 0.149 0.000 2.740 513 G HA2 -0.168 3.797 3.960 0.009 0.000 0.208 513 G HA3 -0.168 3.797 3.960 0.009 0.000 0.208 513 G C 1.503 176.471 174.900 0.114 0.000 1.148 513 G CA 0.439 45.632 45.100 0.155 0.000 0.795 513 G HN 0.366 nan 8.290 nan 0.000 0.526 514 M N -0.211 119.434 119.600 0.076 0.000 2.325 514 M HA 0.076 4.562 4.480 0.009 0.000 0.265 514 M C 2.147 178.508 176.300 0.101 0.000 1.094 514 M CA 1.564 56.901 55.300 0.062 0.000 1.161 514 M CB 0.063 32.671 32.600 0.013 0.000 1.358 514 M HN 0.151 nan 8.290 nan 0.000 0.446 515 D N 0.650 121.129 120.400 0.131 0.000 2.172 515 D HA -0.203 4.443 4.640 0.009 0.000 0.196 515 D C 1.825 178.215 176.300 0.149 0.000 0.999 515 D CA 1.506 55.589 54.000 0.138 0.000 0.856 515 D CB -0.295 40.600 40.800 0.158 0.000 0.934 515 D HN 0.468 nan 8.370 nan 0.000 0.453 516 L N -0.172 121.154 121.223 0.171 0.000 2.275 516 L HA -0.126 4.220 4.340 0.009 0.000 0.215 516 L C 2.458 179.435 176.870 0.178 0.000 1.119 516 L CA 0.577 55.538 54.840 0.202 0.000 0.790 516 L CB -0.531 41.666 42.059 0.230 0.000 0.919 516 L HN 0.143 nan 8.230 nan 0.000 0.443 517 Q N 0.006 119.889 119.800 0.140 0.000 2.061 517 Q HA -0.282 4.064 4.340 0.009 0.000 0.204 517 Q C 2.655 178.720 176.000 0.109 0.000 0.984 517 Q CA 2.452 58.326 55.803 0.119 0.000 0.846 517 Q CB -0.637 28.152 28.738 0.086 0.000 0.902 517 Q HN 0.601 nan 8.270 nan 0.000 0.421 518 M N 0.227 119.886 119.600 0.099 0.000 2.151 518 M HA -0.248 4.238 4.480 0.009 0.000 0.256 518 M C 2.581 178.933 176.300 0.086 0.000 1.072 518 M CA 2.604 57.954 55.300 0.083 0.000 1.090 518 M CB -2.340 30.310 32.600 0.084 0.000 1.294 518 M HN 0.522 nan 8.290 nan 0.000 0.415 519 C N -0.167 119.205 119.300 0.120 0.000 2.435 519 C HA 0.022 4.487 4.460 0.009 0.000 0.279 519 C C 2.660 177.736 174.990 0.142 0.000 1.321 519 C CA 1.191 60.287 59.018 0.130 0.000 1.752 519 C CB -1.464 26.391 27.740 0.192 0.000 1.959 519 C HN 0.715 nan 8.230 nan 0.000 0.500 520 I N 0.610 121.280 120.570 0.166 0.000 2.286 520 I HA -0.084 4.091 4.170 0.009 0.000 0.245 520 I C 2.067 178.237 176.117 0.088 0.000 1.104 520 I CA 1.525 62.935 61.300 0.182 0.000 1.397 520 I CB -0.571 37.561 38.000 0.220 0.000 1.072 520 I HN 0.231 nan 8.210 nan 0.000 0.417 521 D N 0.721 121.163 120.400 0.069 0.000 2.312 521 D HA -0.076 4.569 4.640 0.009 0.000 0.211 521 D C 2.000 178.292 176.300 -0.014 0.000 0.964 521 D CA 0.649 54.668 54.000 0.033 0.000 0.877 521 D CB 0.027 40.852 40.800 0.042 0.000 0.924 521 D HN 0.208 nan 8.370 nan 0.000 0.515 522 L N 0.390 121.596 121.223 -0.029 0.000 2.610 522 L HA 0.050 4.396 4.340 0.009 0.000 0.232 522 L C 1.254 178.045 176.870 -0.131 0.000 1.149 522 L CA 0.561 55.328 54.840 -0.122 0.000 0.872 522 L CB 0.010 42.010 42.059 -0.099 0.000 0.992 522 L HN -0.003 nan 8.230 nan 0.000 0.447 523 I N -0.926 119.578 120.570 -0.110 0.000 3.632 523 I HA -0.127 4.049 4.170 0.009 0.000 0.246 523 I C 2.252 178.225 176.117 -0.240 0.000 1.125 523 I CA 0.443 61.619 61.300 -0.208 0.000 1.519 523 I CB 0.223 37.975 38.000 -0.414 0.000 1.555 523 I HN 0.135 nan 8.210 nan 0.000 0.452 524 E N 2.346 122.399 120.200 -0.245 0.000 2.006 524 E HA -0.184 4.172 4.350 0.009 0.000 0.192 524 E C 0.876 177.456 176.600 -0.033 0.000 0.993 524 E CA 0.268 56.591 56.400 -0.128 0.000 0.808 524 E CB -0.636 29.073 29.700 0.015 0.000 0.764 524 E HN 0.335 nan 8.360 nan 0.000 0.449 525 K N 2.234 122.633 120.400 -0.002 0.000 2.606 525 K HA -0.077 4.248 4.320 0.009 0.000 0.279 525 K C -2.088 174.522 176.600 0.016 0.000 0.961 525 K CA -0.332 55.964 56.287 0.016 0.000 1.002 525 K CB -0.301 32.213 32.500 0.023 0.000 0.871 525 K HN -0.187 nan 8.250 nan 0.000 0.508 526 P HA -0.285 nan 4.420 nan 0.000 0.233 526 P C 0.260 177.576 177.300 0.026 0.000 0.947 526 P CA 1.607 64.718 63.100 0.019 0.000 1.064 526 P CB -0.030 31.681 31.700 0.018 0.000 0.664 527 M N -0.379 119.235 119.600 0.025 0.000 3.732 527 M HA 0.046 4.532 4.480 0.009 0.000 0.153 527 M C 0.669 177.030 176.300 0.101 0.000 1.821 527 M CA 0.404 55.715 55.300 0.019 0.000 1.834 527 M CB -1.629 30.958 32.600 -0.021 0.000 1.341 527 M HN 0.080 nan 8.290 nan 0.000 0.500 528 G N -0.412 108.454 108.800 0.110 0.000 2.524 528 G HA2 0.539 4.505 3.960 0.009 0.000 0.310 528 G HA3 0.539 4.505 3.960 0.009 0.000 0.310 528 G C 0.727 175.700 174.900 0.123 0.000 1.279 528 G CA -0.887 44.302 45.100 0.148 0.000 0.974 528 G HN 0.480 nan 8.290 nan 0.000 0.484 529 I N 0.379 121.023 120.570 0.123 0.000 2.438 529 I HA -0.419 3.757 4.170 0.009 0.000 0.241 529 I C 2.412 178.638 176.117 0.183 0.000 0.951 529 I CA 1.527 62.925 61.300 0.163 0.000 1.271 529 I CB -0.404 37.696 38.000 0.167 0.000 0.971 529 I HN 0.433 nan 8.210 nan 0.000 0.417 530 L N -0.522 120.737 121.223 0.059 0.000 2.034 530 L HA -0.165 4.181 4.340 0.009 0.000 0.203 530 L C 2.777 179.653 176.870 0.010 0.000 1.074 530 L CA 1.552 56.404 54.840 0.020 0.000 0.748 530 L CB -0.587 41.421 42.059 -0.085 0.000 0.905 530 L HN 0.274 nan 8.230 nan 0.000 0.439 531 S N 0.439 116.141 115.700 0.004 0.000 2.378 531 S HA -0.272 4.203 4.470 0.009 0.000 0.229 531 S C 1.960 176.553 174.600 -0.011 0.000 1.052 531 S CA 1.832 60.030 58.200 -0.003 0.000 1.084 531 S CB -0.376 62.829 63.200 0.007 0.000 0.950 531 S HN 0.258 nan 8.310 nan 0.000 0.440 532 I N 1.082 121.670 120.570 0.029 0.000 2.068 532 I HA -0.260 3.916 4.170 0.009 0.000 0.238 532 I C 2.465 178.538 176.117 -0.074 0.000 1.046 532 I CA 1.889 63.213 61.300 0.040 0.000 1.306 532 I CB -0.594 37.523 38.000 0.194 0.000 1.023 532 I HN 0.372 nan 8.210 nan 0.000 0.399 533 L N 0.637 121.754 121.223 -0.178 0.000 2.129 533 L HA -0.265 4.081 4.340 0.009 0.000 0.212 533 L C 2.521 179.260 176.870 -0.218 0.000 1.087 533 L CA 1.661 56.276 54.840 -0.375 0.000 0.757 533 L CB -0.330 41.527 42.059 -0.337 0.000 0.896 533 L HN 0.331 nan 8.230 nan 0.000 0.434 534 E N -0.740 119.385 120.200 -0.125 0.000 2.204 534 E HA -0.256 4.100 4.350 0.009 0.000 0.194 534 E C 1.791 178.318 176.600 -0.123 0.000 0.989 534 E CA 0.995 57.337 56.400 -0.097 0.000 0.824 534 E CB 0.086 29.755 29.700 -0.053 0.000 0.756 534 E HN 0.590 nan 8.360 nan 0.000 0.477 535 E N 1.137 121.256 120.200 -0.135 0.000 2.022 535 E HA -0.157 4.198 4.350 0.009 0.000 0.190 535 E C 1.477 177.927 176.600 -0.250 0.000 0.973 535 E CA 0.586 56.873 56.400 -0.187 0.000 0.816 535 E CB 0.175 29.797 29.700 -0.131 0.000 0.781 535 E HN -0.045 nan 8.360 nan 0.000 0.456 536 E N -0.060 120.046 120.200 -0.157 0.000 2.455 536 E HA -0.132 4.223 4.350 0.009 0.000 0.202 536 E C 1.274 177.818 176.600 -0.094 0.000 1.045 536 E CA 0.269 56.620 56.400 -0.082 0.000 0.872 536 E CB -0.420 29.279 29.700 -0.001 0.000 0.792 536 E HN 0.203 nan 8.360 nan 0.000 0.542 537 C N 0.012 119.227 119.300 -0.142 0.000 2.613 537 C HA 0.155 4.621 4.460 0.009 0.000 0.273 537 C C 1.653 176.599 174.990 -0.073 0.000 1.304 537 C CA -0.062 58.896 59.018 -0.100 0.000 1.702 537 C CB -0.798 26.873 27.740 -0.115 0.000 1.792 537 C HN 0.414 nan 8.230 nan 0.000 0.588 538 M N -1.154 118.363 119.600 -0.139 0.000 2.940 538 M HA 0.283 4.768 4.480 0.009 0.000 0.248 538 M C 0.638 176.921 176.300 -0.030 0.000 1.379 538 M CA 0.366 55.581 55.300 -0.140 0.000 1.262 538 M CB -1.259 31.164 32.600 -0.294 0.000 1.201 538 M HN 0.152 nan 8.290 nan 0.000 0.553 539 F N 3.438 123.384 119.950 -0.008 0.000 2.629 539 F HA -0.016 4.516 4.527 0.009 0.000 0.377 539 F C -1.263 174.537 175.800 0.001 0.000 1.101 539 F CA -1.083 56.914 58.000 -0.004 0.000 1.301 539 F CB -0.000 39.000 39.000 0.001 0.000 1.062 539 F HN 0.148 nan 8.300 nan 0.000 0.583 540 P HA 0.103 nan 4.420 nan 0.000 0.211 540 P C -0.299 177.050 177.300 0.081 0.000 1.833 540 P CA 0.140 63.307 63.100 0.111 0.000 0.938 540 P CB 0.375 32.122 31.700 0.078 0.000 1.808 541 K N -0.244 120.215 120.400 0.098 0.000 2.618 541 K HA 0.253 4.579 4.320 0.009 0.000 0.205 541 K C 0.184 176.835 176.600 0.085 0.000 1.445 541 K CA -0.207 56.118 56.287 0.064 0.000 1.034 541 K CB 0.525 33.040 32.500 0.024 0.000 1.209 541 K HN 0.047 nan 8.250 nan 0.000 0.627 542 A N 1.972 124.856 122.820 0.108 0.000 2.532 542 A HA -0.020 4.305 4.320 0.009 0.000 0.269 542 A C -0.619 177.021 177.584 0.093 0.000 1.079 542 A CA 0.893 52.994 52.037 0.106 0.000 0.800 542 A CB -0.344 18.701 19.000 0.075 0.000 1.000 542 A HN 0.412 nan 8.150 nan 0.000 0.522 543 D N 1.973 122.441 120.400 0.112 0.000 2.502 543 D HA 0.396 5.042 4.640 0.009 0.000 0.249 543 D C 0.497 176.885 176.300 0.147 0.000 1.092 543 D CA -0.504 53.559 54.000 0.106 0.000 0.839 543 D CB 1.149 42.000 40.800 0.084 0.000 1.264 543 D HN 0.416 nan 8.370 nan 0.000 0.511 544 D N 2.286 122.774 120.400 0.146 0.000 2.200 544 D HA -0.253 4.392 4.640 0.009 0.000 0.192 544 D C 1.459 177.873 176.300 0.189 0.000 1.008 544 D CA 1.192 55.303 54.000 0.185 0.000 0.872 544 D CB 0.187 41.081 40.800 0.156 0.000 0.923 544 D HN 0.447 nan 8.370 nan 0.000 0.447 545 K N 0.327 120.814 120.400 0.145 0.000 2.103 545 K HA -0.096 4.230 4.320 0.009 0.000 0.204 545 K C 2.220 178.879 176.600 0.098 0.000 1.052 545 K CA 1.155 57.511 56.287 0.115 0.000 0.945 545 K CB 0.029 32.575 32.500 0.075 0.000 0.722 545 K HN 0.207 nan 8.250 nan 0.000 0.443 546 S N 0.720 116.488 115.700 0.113 0.000 2.359 546 S HA -0.215 4.261 4.470 0.009 0.000 0.224 546 S C 1.927 176.620 174.600 0.154 0.000 1.035 546 S CA 1.273 59.541 58.200 0.113 0.000 1.018 546 S CB -0.760 62.511 63.200 0.119 0.000 0.876 546 S HN 0.417 nan 8.310 nan 0.000 0.448 547 F N 2.945 122.927 119.950 0.054 0.000 2.113 547 F HA -0.016 4.517 4.527 0.009 0.000 0.297 547 F C 2.711 178.531 175.800 0.033 0.000 1.103 547 F CA 1.750 59.769 58.000 0.032 0.000 1.248 547 F CB -1.256 37.752 39.000 0.013 0.000 0.999 547 F HN 0.435 nan 8.300 nan 0.000 0.475 548 Q N 0.375 119.960 119.800 -0.359 0.000 2.062 548 Q HA -0.290 4.055 4.340 0.009 0.000 0.209 548 Q C 1.793 177.801 176.000 0.014 0.000 0.996 548 Q CA 2.546 58.172 55.803 -0.295 0.000 0.859 548 Q CB -0.483 28.329 28.738 0.124 0.000 0.920 548 Q HN 0.434 nan 8.270 nan 0.000 0.415 549 D N -0.589 119.847 120.400 0.060 0.000 2.106 549 D HA -0.241 4.405 4.640 0.009 0.000 0.191 549 D C 2.031 178.368 176.300 0.063 0.000 0.997 549 D CA 2.405 56.454 54.000 0.081 0.000 0.834 549 D CB -1.034 39.784 40.800 0.030 0.000 0.956 549 D HN 0.557 nan 8.370 nan 0.000 0.448 550 Y N 0.313 120.617 120.300 0.006 0.000 2.181 550 Y HA -0.039 4.517 4.550 0.009 0.000 0.288 550 Y C 2.962 178.780 175.900 -0.136 0.000 1.146 550 Y CA 2.430 60.517 58.100 -0.021 0.000 1.164 550 Y CB -1.362 37.133 38.460 0.057 0.000 0.982 550 Y HN 0.214 nan 8.280 nan 0.000 0.515 551 S N -0.581 114.965 115.700 -0.256 0.000 2.359 551 S HA -0.188 4.288 4.470 0.009 0.000 0.224 551 S C 1.860 176.142 174.600 -0.530 0.000 1.035 551 S CA 1.733 59.652 58.200 -0.468 0.000 1.018 551 S CB -0.971 61.816 63.200 -0.688 0.000 0.876 551 S HN 0.737 nan 8.310 nan 0.000 0.448 552 Y N 1.064 121.209 120.300 -0.259 0.000 2.034 552 Y HA -0.127 4.429 4.550 0.009 0.000 0.269 552 Y C 3.552 179.367 175.900 -0.143 0.000 1.125 552 Y CA 2.017 60.069 58.100 -0.081 0.000 1.097 552 Y CB -1.052 37.414 38.460 0.010 0.000 0.978 552 Y HN 0.456 nan 8.280 nan 0.000 0.480 553 Q N 0.645 120.491 119.800 0.077 0.000 2.268 553 Q HA -0.287 4.059 4.340 0.009 0.000 0.213 553 Q C 1.813 177.744 176.000 -0.115 0.000 0.995 553 Q CA 2.169 57.964 55.803 -0.012 0.000 0.901 553 Q CB -1.128 27.598 28.738 -0.021 0.000 0.921 553 Q HN 0.565 nan 8.270 nan 0.000 0.421 554 N N -1.721 116.816 118.700 -0.271 0.000 2.395 554 N HA -0.032 4.713 4.740 0.009 0.000 0.175 554 N C 1.082 176.181 175.510 -0.685 0.000 1.029 554 N CA 1.221 53.968 53.050 -0.505 0.000 0.897 554 N CB 0.207 38.268 38.487 -0.709 0.000 0.991 554 N HN 0.778 nan 8.380 nan 0.000 0.441 555 H N -0.273 118.618 119.070 -0.299 0.000 2.654 555 H HA 0.257 4.818 4.556 0.009 0.000 0.170 555 H C 0.640 175.946 175.328 -0.035 0.000 1.045 555 H CA -0.550 55.300 56.048 -0.330 0.000 1.178 555 H CB -0.039 29.167 29.762 -0.926 0.000 1.162 555 H HN -0.083 nan 8.280 nan 0.000 0.399 556 I N 1.514 122.291 120.570 0.344 0.000 3.173 556 I HA -0.219 3.957 4.170 0.009 0.000 0.323 556 I C 1.555 177.829 176.117 0.261 0.000 1.194 556 I CA 2.132 63.734 61.300 0.504 0.000 1.464 556 I CB 0.353 38.735 38.000 0.637 0.000 1.295 556 I HN 0.868 nan 8.210 nan 0.000 0.556 557 G N 4.671 113.596 108.800 0.208 0.000 2.284 557 G HA2 -0.277 3.688 3.960 0.009 0.000 0.247 557 G HA3 -0.277 3.688 3.960 0.009 0.000 0.247 557 G C 0.765 175.729 174.900 0.107 0.000 1.012 557 G CA 0.455 45.633 45.100 0.130 0.000 0.618 557 G HN 0.560 nan 8.290 nan 0.000 0.521 558 K N 0.416 120.890 120.400 0.123 0.000 2.761 558 K HA 0.214 4.540 4.320 0.009 0.000 0.196 558 K C -0.464 176.199 176.600 0.104 0.000 1.134 558 K CA 0.001 56.345 56.287 0.095 0.000 1.082 558 K CB -0.180 32.362 32.500 0.069 0.000 0.768 558 K HN 0.574 nan 8.250 nan 0.000 0.475 559 N N 0.458 119.239 118.700 0.135 0.000 2.324 559 N HA 0.180 4.925 4.740 0.009 0.000 0.285 559 N C -1.074 174.517 175.510 0.135 0.000 1.076 559 N CA -0.277 52.848 53.050 0.125 0.000 0.864 559 N CB 1.699 40.261 38.487 0.124 0.000 1.632 559 N HN -0.074 nan 8.380 nan 0.000 0.478 560 R N 4.095 124.655 120.500 0.101 0.000 3.585 560 R HA 0.267 4.612 4.340 0.009 0.000 0.324 560 R C -0.474 175.876 176.300 0.083 0.000 1.372 560 R CA -0.207 55.945 56.100 0.087 0.000 1.291 560 R CB -0.014 30.327 30.300 0.069 0.000 1.470 560 R HN 0.593 nan 8.270 nan 0.000 0.633 561 M N -0.059 119.606 119.600 0.107 0.000 1.948 561 M HA 0.151 4.637 4.480 0.009 0.000 0.381 561 M C -0.855 175.529 176.300 0.140 0.000 0.815 561 M CA -0.018 55.336 55.300 0.090 0.000 1.171 561 M CB 0.241 32.889 32.600 0.080 0.000 2.306 561 M HN 0.084 nan 8.290 nan 0.000 0.794 562 F N 2.991 122.951 119.950 0.017 0.000 2.325 562 F HA 0.539 5.072 4.527 0.009 0.000 0.369 562 F C 0.655 176.501 175.800 0.077 0.000 1.095 562 F CA -0.336 57.695 58.000 0.051 0.000 1.082 562 F CB 0.620 39.605 39.000 -0.024 0.000 1.289 562 F HN 0.142 nan 8.300 nan 0.000 0.462 563 T N 1.326 115.729 114.554 -0.251 0.000 2.769 563 T HA 0.933 5.289 4.350 0.009 0.000 0.258 563 T C -0.496 174.065 174.700 -0.232 0.000 1.008 563 T CA -0.308 61.694 62.100 -0.163 0.000 1.021 563 T CB 1.109 69.932 68.868 -0.076 0.000 1.788 563 T HN 0.594 nan 8.240 nan 0.000 0.577 564 K N 0.472 120.821 120.400 -0.085 0.000 2.507 564 K HA 0.693 5.019 4.320 0.009 0.000 0.251 564 K C -3.128 173.462 176.600 -0.016 0.000 0.943 564 K CA -2.037 54.239 56.287 -0.018 0.000 0.794 564 K CB 0.389 32.916 32.500 0.044 0.000 1.188 564 K HN 0.672 nan 8.250 nan 0.000 0.428 565 P HA -0.144 nan 4.420 nan 0.000 0.172 565 P C 0.980 178.271 177.300 -0.014 0.000 0.821 565 P CA 1.235 64.333 63.100 -0.002 0.000 1.150 565 P CB -0.173 31.552 31.700 0.042 0.000 1.263 566 G N 3.086 111.872 108.800 -0.023 0.000 2.326 566 G HA2 -0.064 3.902 3.960 0.009 0.000 0.232 566 G HA3 -0.064 3.902 3.960 0.009 0.000 0.232 566 G C 0.125 175.016 174.900 -0.015 0.000 1.559 566 G CA -0.097 44.991 45.100 -0.019 0.000 1.031 566 G HN 0.362 nan 8.290 nan 0.000 0.498 567 K N 1.420 121.813 120.400 -0.012 0.000 2.205 567 K HA 0.304 4.630 4.320 0.009 0.000 0.279 567 K C -2.371 174.226 176.600 -0.004 0.000 1.027 567 K CA -1.755 54.527 56.287 -0.009 0.000 0.932 567 K CB 0.967 33.462 32.500 -0.007 0.000 1.032 567 K HN -0.022 nan 8.250 nan 0.000 0.466 568 P HA 0.082 nan 4.420 nan 0.000 0.264 568 P C 0.002 177.305 177.300 0.005 0.000 1.236 568 P CA 0.088 63.194 63.100 0.009 0.000 0.811 568 P CB 0.579 32.285 31.700 0.011 0.000 0.840 569 T N 2.295 116.852 114.554 0.004 0.000 2.698 569 T HA -0.009 4.347 4.350 0.009 0.000 0.260 569 T C 1.151 175.850 174.700 -0.002 0.000 1.044 569 T CA 0.947 63.046 62.100 -0.001 0.000 1.149 569 T CB 0.053 68.918 68.868 -0.005 0.000 0.864 569 T HN 0.264 nan 8.240 nan 0.000 0.419 570 R N 0.585 121.087 120.500 0.003 0.000 2.596 570 R HA 0.453 4.798 4.340 0.009 0.000 0.216 570 R C -1.375 174.928 176.300 0.006 0.000 1.348 570 R CA -2.014 54.086 56.100 -0.000 0.000 1.009 570 R CB -1.655 28.644 30.300 -0.002 0.000 1.947 570 R HN 0.049 nan 8.270 nan 0.000 0.526 571 P HA -0.175 nan 4.420 nan 0.000 0.223 571 P C -0.209 177.099 177.300 0.014 0.000 1.031 571 P CA 1.010 64.114 63.100 0.007 0.000 0.993 571 P CB 0.068 31.772 31.700 0.007 0.000 0.599 572 N N 0.326 119.037 118.700 0.019 0.000 2.800 572 N HA 0.045 4.790 4.740 0.009 0.000 0.240 572 N C 0.009 175.541 175.510 0.037 0.000 1.096 572 N CA -0.405 52.659 53.050 0.023 0.000 0.877 572 N CB 0.242 38.739 38.487 0.015 0.000 1.138 572 N HN 0.229 nan 8.380 nan 0.000 0.509 573 Q N 1.331 121.161 119.800 0.050 0.000 2.616 573 Q HA -0.045 4.300 4.340 0.009 0.000 0.269 573 Q C 0.001 176.051 176.000 0.083 0.000 1.148 573 Q CA 0.279 56.130 55.803 0.079 0.000 1.003 573 Q CB 0.210 28.997 28.738 0.081 0.000 1.322 573 Q HN 0.451 nan 8.270 nan 0.000 0.518 574 G N 1.273 110.145 108.800 0.121 0.000 4.829 574 G HA2 0.216 4.182 3.960 0.009 0.000 0.320 574 G HA3 0.216 4.182 3.960 0.009 0.000 0.320 574 G C -0.280 174.684 174.900 0.107 0.000 1.445 574 G CA -0.193 44.934 45.100 0.046 0.000 1.151 574 G HN 0.969 nan 8.290 nan 0.000 0.572 575 H N 0.630 119.737 119.070 0.062 0.000 3.123 575 H HA 0.105 4.667 4.556 0.010 0.000 0.275 575 H C 0.023 175.449 175.328 0.163 0.000 0.864 575 H CA 0.600 56.697 56.048 0.081 0.000 1.398 575 H CB 0.085 29.868 29.762 0.035 0.000 1.228 575 H HN 0.541 nan 8.280 nan 0.000 0.552 576 A N 3.699 126.840 122.820 0.534 0.000 2.486 576 A HA 0.538 4.863 4.320 0.009 0.000 0.277 576 A C 0.051 178.011 177.584 0.628 0.000 1.282 576 A CA -0.231 52.126 52.037 0.534 0.000 0.784 576 A CB 0.742 19.938 19.000 0.327 0.000 1.350 576 A HN 0.861 nan 8.150 nan 0.000 0.454 577 H N -1.160 118.069 119.070 0.266 0.000 2.595 577 H HA 0.391 4.953 4.556 0.009 0.000 0.265 577 H C -0.169 175.397 175.328 0.397 0.000 0.953 577 H CA 0.856 57.107 56.048 0.339 0.000 1.197 577 H CB -0.051 29.904 29.762 0.322 0.000 1.438 577 H HN 0.539 nan 8.280 nan 0.000 0.531 578 F N -2.352 117.637 119.950 0.066 0.000 2.926 578 F HA 0.555 5.088 4.527 0.009 0.000 0.321 578 F C -1.773 173.922 175.800 -0.175 0.000 1.168 578 F CA -1.320 56.570 58.000 -0.183 0.000 0.890 578 F CB 1.830 40.502 39.000 -0.547 0.000 1.357 578 F HN -0.286 nan 8.300 nan 0.000 0.468 579 E N 1.496 121.525 120.200 -0.285 0.000 2.244 579 E HA 0.615 4.971 4.350 0.009 0.000 0.260 579 E C -1.219 175.245 176.600 -0.227 0.000 0.884 579 E CA -0.779 55.413 56.400 -0.346 0.000 0.777 579 E CB 2.096 31.669 29.700 -0.212 0.000 1.197 579 E HN 0.894 nan 8.360 nan 0.000 0.416 580 L N 1.422 122.478 121.223 -0.277 0.000 2.292 580 L HA 0.670 5.016 4.340 0.009 0.000 0.284 580 L C 0.560 177.268 176.870 -0.271 0.000 1.065 580 L CA -0.316 54.446 54.840 -0.131 0.000 0.806 580 L CB -0.176 41.889 42.059 0.009 0.000 1.175 580 L HN 0.940 nan 8.230 nan 0.000 0.431 581 H N 2.165 121.146 119.070 -0.149 0.000 3.224 581 H HA 0.512 5.073 4.556 0.009 0.000 0.265 581 H C 0.052 175.355 175.328 -0.041 0.000 1.461 581 H CA -0.344 55.659 56.048 -0.075 0.000 1.509 581 H CB -0.750 29.015 29.762 0.004 0.000 1.686 581 H HN 0.892 nan 8.280 nan 0.000 0.514 582 H N 1.728 120.841 119.070 0.070 0.000 2.481 582 H HA 0.061 4.622 4.556 0.009 0.000 0.339 582 H C 1.311 176.634 175.328 -0.008 0.000 1.131 582 H CA -0.228 55.862 56.048 0.070 0.000 1.301 582 H CB 0.845 30.702 29.762 0.158 0.000 1.476 582 H HN 0.836 nan 8.280 nan 0.000 0.529 583 Y N 1.093 121.579 120.300 0.309 0.000 2.132 583 Y HA -0.285 4.270 4.550 0.009 0.000 0.280 583 Y C 2.034 177.953 175.900 0.032 0.000 1.193 583 Y CA 1.489 59.676 58.100 0.146 0.000 1.157 583 Y CB -1.221 37.322 38.460 0.138 0.000 0.966 583 Y HN 0.531 nan 8.280 nan 0.000 0.511 584 A N 0.622 123.118 122.820 -0.541 0.000 2.015 584 A HA 0.392 4.717 4.320 0.009 0.000 0.219 584 A C 1.606 179.012 177.584 -0.297 0.000 1.163 584 A CA 1.493 53.183 52.037 -0.578 0.000 0.646 584 A CB -1.176 16.854 19.000 -1.616 0.000 0.806 584 A HN 1.144 nan 8.150 nan 0.000 0.448 585 G N -1.779 106.932 108.800 -0.148 0.000 2.356 585 G HA2 0.281 4.247 3.960 0.009 0.000 0.288 585 G HA3 0.281 4.247 3.960 0.009 0.000 0.288 585 G C -1.738 173.154 174.900 -0.014 0.000 1.302 585 G CA -0.630 44.432 45.100 -0.064 0.000 0.887 585 G HN 0.208 nan 8.290 nan 0.000 0.521 586 N N -0.260 118.414 118.700 -0.044 0.000 2.414 586 N HA 0.515 5.261 4.740 0.009 0.000 0.256 586 N C -0.081 175.346 175.510 -0.139 0.000 1.029 586 N CA -0.269 52.728 53.050 -0.087 0.000 0.948 586 N CB 2.006 40.445 38.487 -0.080 0.000 1.102 586 N HN 0.473 nan 8.380 nan 0.000 0.496 587 V N 3.600 123.373 119.914 -0.236 0.000 2.532 587 V HA 0.497 4.623 4.120 0.009 0.000 0.295 587 V C -2.008 173.636 176.094 -0.751 0.000 1.041 587 V CA -1.727 60.315 62.300 -0.429 0.000 0.926 587 V CB 1.705 33.240 31.823 -0.479 0.000 0.992 587 V HN 0.623 nan 8.190 nan 0.000 0.457 588 P HA 0.349 nan 4.420 nan 0.000 0.295 588 P C -1.724 175.295 177.300 -0.468 0.000 1.354 588 P CA -0.368 62.468 63.100 -0.440 0.000 0.814 588 P CB 0.413 32.023 31.700 -0.150 0.000 0.935 589 Y N 0.450 120.504 120.300 -0.410 0.000 2.328 589 Y HA 0.286 4.841 4.550 0.009 0.000 0.337 589 Y C 1.228 176.998 175.900 -0.215 0.000 0.966 589 Y CA -1.061 56.842 58.100 -0.328 0.000 1.136 589 Y CB 1.776 39.920 38.460 -0.526 0.000 1.170 589 Y HN 0.256 nan 8.280 nan 0.000 0.470 590 S N 4.654 120.479 115.700 0.208 0.000 3.729 590 S HA 0.180 4.655 4.470 0.009 0.000 0.235 590 S C 0.732 175.204 174.600 -0.212 0.000 1.367 590 S CA -0.773 57.484 58.200 0.095 0.000 0.907 590 S CB -1.309 62.158 63.200 0.446 0.000 1.471 590 S HN 0.587 nan 8.310 nan 0.000 0.476 591 I N 2.082 122.211 120.570 -0.735 0.000 3.352 591 I HA 0.139 4.315 4.170 0.009 0.000 0.334 591 I C 0.780 176.413 176.117 -0.807 0.000 1.152 591 I CA 0.066 60.445 61.300 -1.535 0.000 1.231 591 I CB -1.352 36.000 38.000 -1.081 0.000 0.994 591 I HN 0.459 nan 8.210 nan 0.000 0.612 592 A N 1.626 124.244 122.820 -0.336 0.000 2.354 592 A HA 0.599 4.925 4.320 0.009 0.000 0.281 592 A C 1.401 179.120 177.584 0.224 0.000 1.174 592 A CA 0.046 52.093 52.037 0.016 0.000 0.828 592 A CB -0.355 18.719 19.000 0.123 0.000 1.099 592 A HN 1.263 nan 8.150 nan 0.000 0.516 593 G N 1.248 110.160 108.800 0.186 0.000 2.176 593 G HA2 -0.250 3.716 3.960 0.009 0.000 0.252 593 G HA3 -0.250 3.716 3.960 0.009 0.000 0.252 593 G C 0.437 175.474 174.900 0.229 0.000 1.024 593 G CA 0.641 45.842 45.100 0.168 0.000 0.755 593 G HN 0.740 nan 8.290 nan 0.000 0.507 594 W N -0.107 121.146 121.300 -0.078 0.000 2.488 594 W HA 0.320 4.986 4.660 0.009 0.000 0.304 594 W C 2.498 178.780 176.519 -0.395 0.000 1.175 594 W CA 1.245 58.424 57.345 -0.277 0.000 1.365 594 W CB -0.911 28.420 29.460 -0.215 0.000 1.131 594 W HN 0.264 nan 8.180 nan 0.000 0.520 595 L N 0.572 121.775 121.223 -0.033 0.000 2.642 595 L HA -0.156 4.190 4.340 0.009 0.000 0.236 595 L C 1.434 178.248 176.870 -0.094 0.000 1.169 595 L CA 1.331 56.095 54.840 -0.127 0.000 0.851 595 L CB -0.651 41.365 42.059 -0.071 0.000 0.968 595 L HN -0.025 nan 8.230 nan 0.000 0.453 596 D N -0.544 119.809 120.400 -0.078 0.000 2.431 596 D HA -0.037 4.608 4.640 0.009 0.000 0.227 596 D C 2.022 178.261 176.300 -0.101 0.000 1.030 596 D CA 0.564 54.526 54.000 -0.064 0.000 0.897 596 D CB 0.423 41.205 40.800 -0.030 0.000 1.058 596 D HN 0.065 nan 8.370 nan 0.000 0.500 597 K N -0.204 120.101 120.400 -0.160 0.000 2.242 597 K HA 0.102 4.428 4.320 0.009 0.000 0.200 597 K C 1.694 178.194 176.600 -0.166 0.000 1.050 597 K CA 0.249 56.449 56.287 -0.145 0.000 0.981 597 K CB 0.042 32.473 32.500 -0.114 0.000 0.795 597 K HN 0.073 nan 8.250 nan 0.000 0.477 598 N N 1.706 120.195 118.700 -0.350 0.000 2.494 598 N HA -0.065 4.681 4.740 0.009 0.000 0.182 598 N C -0.438 174.997 175.510 -0.125 0.000 1.076 598 N CA 0.179 53.053 53.050 -0.293 0.000 0.908 598 N CB 0.314 38.460 38.487 -0.568 0.000 0.967 598 N HN 0.072 nan 8.380 nan 0.000 0.449 599 K N 1.677 122.016 120.400 -0.102 0.000 2.336 599 K HA -0.006 4.319 4.320 0.009 0.000 0.290 599 K C -1.004 175.574 176.600 -0.037 0.000 1.067 599 K CA 0.017 56.272 56.287 -0.053 0.000 0.962 599 K CB 0.743 33.223 32.500 -0.033 0.000 1.008 599 K HN 0.021 nan 8.250 nan 0.000 0.467 600 D N 4.888 125.270 120.400 -0.030 0.000 2.514 600 D HA 0.160 4.806 4.640 0.009 0.000 0.267 600 D C -2.243 174.009 176.300 -0.080 0.000 1.165 600 D CA -2.205 51.770 54.000 -0.041 0.000 0.958 600 D CB 0.666 41.458 40.800 -0.013 0.000 0.992 600 D HN 0.264 nan 8.370 nan 0.000 0.506 601 P HA 0.236 nan 4.420 nan 0.000 0.274 601 P C -0.202 176.774 177.300 -0.540 0.000 1.237 601 P CA -0.394 62.438 63.100 -0.446 0.000 0.793 601 P CB 1.618 32.940 31.700 -0.629 0.000 0.977 602 I N 2.186 122.297 120.570 -0.764 0.000 2.439 602 I HA 0.196 4.372 4.170 0.009 0.000 0.283 602 I C 0.240 176.157 176.117 -0.332 0.000 1.023 602 I CA -0.564 60.518 61.300 -0.364 0.000 1.100 602 I CB 1.410 39.367 38.000 -0.072 0.000 1.238 602 I HN 0.224 nan 8.210 nan 0.000 0.445 603 N N 6.818 125.393 118.700 -0.208 0.000 2.767 603 N HA 0.029 4.774 4.740 0.009 0.000 0.238 603 N C 0.089 175.630 175.510 0.052 0.000 1.083 603 N CA -0.322 52.713 53.050 -0.025 0.000 0.964 603 N CB 0.700 39.168 38.487 -0.032 0.000 1.252 603 N HN 0.452 nan 8.380 nan 0.000 0.512 604 E N 2.111 122.370 120.200 0.097 0.000 2.311 604 E HA -0.077 4.279 4.350 0.009 0.000 0.285 604 E C -0.418 176.225 176.600 0.072 0.000 1.122 604 E CA 0.387 56.839 56.400 0.087 0.000 1.145 604 E CB -0.207 29.551 29.700 0.096 0.000 1.066 604 E HN 0.382 nan 8.360 nan 0.000 0.461 605 N N 0.501 119.239 118.700 0.064 0.000 2.539 605 N HA -0.082 4.664 4.740 0.009 0.000 0.326 605 N C 1.416 176.949 175.510 0.039 0.000 0.622 605 N CA 1.108 54.185 53.050 0.046 0.000 1.237 605 N CB -0.120 38.391 38.487 0.041 0.000 1.806 605 N HN 0.129 nan 8.380 nan 0.000 1.552 606 V N 1.965 121.905 119.914 0.044 0.000 2.370 606 V HA -0.201 3.925 4.120 0.009 0.000 0.252 606 V C 2.477 178.603 176.094 0.053 0.000 1.068 606 V CA 1.757 64.079 62.300 0.035 0.000 1.061 606 V CB -1.019 30.843 31.823 0.065 0.000 0.656 606 V HN 0.064 nan 8.190 nan 0.000 0.455 607 V N 1.486 121.485 119.914 0.142 0.000 2.214 607 V HA -0.317 3.809 4.120 0.009 0.000 0.247 607 V C 2.868 179.035 176.094 0.121 0.000 1.051 607 V CA 2.905 65.359 62.300 0.257 0.000 1.003 607 V CB -0.941 30.988 31.823 0.177 0.000 0.635 607 V HN 0.808 nan 8.190 nan 0.000 0.447 608 S N 0.507 116.246 115.700 0.064 0.000 2.351 608 S HA -0.267 4.209 4.470 0.009 0.000 0.220 608 S C 1.983 176.562 174.600 -0.036 0.000 1.035 608 S CA 1.814 60.027 58.200 0.021 0.000 1.031 608 S CB -0.987 62.227 63.200 0.023 0.000 0.928 608 S HN 0.365 nan 8.310 nan 0.000 0.433 609 L N 1.440 122.639 121.223 -0.041 0.000 2.010 609 L HA -0.064 4.282 4.340 0.009 0.000 0.219 609 L C 2.258 179.031 176.870 -0.163 0.000 1.077 609 L CA 1.809 56.605 54.840 -0.074 0.000 0.773 609 L CB -1.079 40.952 42.059 -0.048 0.000 0.892 609 L HN 0.354 nan 8.230 nan 0.000 0.436 610 L N -0.991 120.057 121.223 -0.291 0.000 2.270 610 L HA 0.018 4.364 4.340 0.009 0.000 0.210 610 L C 2.598 179.122 176.870 -0.576 0.000 1.104 610 L CA 1.192 55.660 54.840 -0.621 0.000 0.804 610 L CB -1.700 39.543 42.059 -1.361 0.000 0.937 610 L HN 0.443 nan 8.230 nan 0.000 0.450 611 A N 0.980 123.626 122.820 -0.290 0.000 1.862 611 A HA -0.236 4.089 4.320 0.009 0.000 0.217 611 A C 1.624 179.148 177.584 -0.099 0.000 1.251 611 A CA 2.838 54.822 52.037 -0.087 0.000 0.673 611 A CB -0.899 18.107 19.000 0.011 0.000 0.843 611 A HN 0.272 nan 8.150 nan 0.000 0.458 612 V N -3.174 116.694 119.914 -0.078 0.000 3.099 612 V HA 0.288 4.414 4.120 0.009 0.000 0.356 612 V C 1.370 177.424 176.094 -0.067 0.000 1.364 612 V CA 0.350 62.613 62.300 -0.062 0.000 1.229 612 V CB -0.784 31.021 31.823 -0.030 0.000 1.227 612 V HN 0.442 nan 8.190 nan 0.000 0.493 613 S N 1.487 117.128 115.700 -0.099 0.000 2.433 613 S HA -0.325 4.150 4.470 0.009 0.000 0.283 613 S C 1.797 176.368 174.600 -0.048 0.000 1.059 613 S CA 2.852 61.005 58.200 -0.079 0.000 1.483 613 S CB -0.144 62.995 63.200 -0.102 0.000 1.307 613 S HN 0.769 nan 8.310 nan 0.000 0.447 614 K N -0.779 119.593 120.400 -0.048 0.000 2.705 614 K HA 0.195 4.521 4.320 0.009 0.000 0.197 614 K C -0.569 176.013 176.600 -0.030 0.000 1.624 614 K CA 0.040 56.312 56.287 -0.026 0.000 1.197 614 K CB 0.600 33.098 32.500 -0.004 0.000 1.603 614 K HN 0.238 nan 8.250 nan 0.000 0.597 615 E N 2.656 122.827 120.200 -0.048 0.000 2.283 615 E HA 0.072 4.428 4.350 0.009 0.000 0.278 615 E C -1.828 174.737 176.600 -0.060 0.000 1.027 615 E CA -1.877 54.492 56.400 -0.052 0.000 0.843 615 E CB 1.378 31.038 29.700 -0.066 0.000 1.062 615 E HN 0.006 nan 8.360 nan 0.000 0.401 616 P HA -0.286 nan 4.420 nan 0.000 0.211 616 P C 1.552 178.803 177.300 -0.083 0.000 1.181 616 P CA 1.707 64.778 63.100 -0.047 0.000 0.929 616 P CB -0.093 31.592 31.700 -0.024 0.000 0.789 617 L N -1.021 120.114 121.223 -0.146 0.000 1.965 617 L HA -0.207 4.139 4.340 0.009 0.000 0.226 617 L C 2.420 179.212 176.870 -0.130 0.000 1.083 617 L CA 2.490 57.178 54.840 -0.254 0.000 0.790 617 L CB -2.343 39.469 42.059 -0.413 0.000 0.898 617 L HN -0.182 nan 8.230 nan 0.000 0.439 618 V N 1.001 120.851 119.914 -0.107 0.000 2.353 618 V HA -0.414 3.711 4.120 0.009 0.000 0.260 618 V C 3.041 179.097 176.094 -0.063 0.000 1.091 618 V CA 2.300 64.539 62.300 -0.101 0.000 1.088 618 V CB -1.755 29.968 31.823 -0.166 0.000 0.672 618 V HN 0.755 nan 8.190 nan 0.000 0.455 619 A N 1.043 123.832 122.820 -0.051 0.000 1.822 619 A HA -0.227 4.098 4.320 0.009 0.000 0.214 619 A C 2.200 179.810 177.584 0.042 0.000 1.245 619 A CA 1.731 53.758 52.037 -0.016 0.000 0.608 619 A CB -0.838 18.148 19.000 -0.023 0.000 0.896 619 A HN 0.725 nan 8.150 nan 0.000 0.457 620 E N 0.906 121.116 120.200 0.016 0.000 2.086 620 E HA -0.279 4.077 4.350 0.009 0.000 0.205 620 E C 1.714 178.344 176.600 0.051 0.000 1.027 620 E CA 1.990 58.406 56.400 0.026 0.000 0.830 620 E CB -1.192 28.512 29.700 0.007 0.000 0.751 620 E HN 0.602 nan 8.360 nan 0.000 0.456 621 L N -0.288 120.963 121.223 0.046 0.000 1.958 621 L HA -0.225 4.120 4.340 0.009 0.000 0.238 621 L C 2.604 179.514 176.870 0.066 0.000 1.092 621 L CA 1.811 56.673 54.840 0.037 0.000 0.826 621 L CB -1.306 40.793 42.059 0.066 0.000 0.909 621 L HN 0.065 nan 8.230 nan 0.000 0.436 622 F N 0.006 119.933 119.950 -0.038 0.000 2.271 622 F HA -0.185 4.347 4.527 0.009 0.000 0.302 622 F C 2.555 178.346 175.800 -0.016 0.000 1.063 622 F CA 1.061 59.048 58.000 -0.021 0.000 1.362 622 F CB -0.912 38.076 39.000 -0.020 0.000 1.060 622 F HN 0.067 nan 8.300 nan 0.000 0.521 623 R N 0.291 120.897 120.500 0.176 0.000 2.149 623 R HA 0.236 4.581 4.340 0.009 0.000 0.177 623 R C 1.165 177.497 176.300 0.054 0.000 0.933 623 R CA 0.687 56.841 56.100 0.091 0.000 1.168 623 R CB -0.936 29.400 30.300 0.060 0.000 0.669 623 R HN 0.207 nan 8.270 nan 0.000 0.554 642 F N -0.098 119.848 119.950 -0.007 0.000 2.905 642 F HA -0.102 4.431 4.527 0.010 0.000 0.291 642 F C 0.631 176.417 175.800 -0.024 0.000 1.002 642 F CA 0.796 58.789 58.000 -0.012 0.000 0.978 642 F CB -1.958 37.033 39.000 -0.013 0.000 1.036 642 F HN 0.565 nan 8.300 nan 0.000 0.820 643 Q N -0.032 119.832 119.800 0.106 0.000 2.782 643 Q HA 0.762 5.108 4.340 0.009 0.000 0.186 643 Q C 0.882 176.894 176.000 0.020 0.000 1.106 643 Q CA 0.442 56.276 55.803 0.051 0.000 0.757 643 Q CB 0.617 29.378 28.738 0.040 0.000 3.979 643 Q HN 0.432 nan 8.270 nan 0.000 0.389 644 T N -1.751 112.813 114.554 0.016 0.000 2.883 644 T HA 0.452 4.807 4.350 0.009 0.000 0.301 644 T C 0.983 175.712 174.700 0.047 0.000 1.158 644 T CA -0.615 61.493 62.100 0.013 0.000 1.007 644 T CB 0.383 69.246 68.868 -0.008 0.000 1.186 644 T HN 0.409 nan 8.240 nan 0.000 0.499 645 I N 2.083 122.697 120.570 0.073 0.000 2.076 645 I HA -0.166 4.010 4.170 0.009 0.000 0.237 645 I C 2.998 179.211 176.117 0.160 0.000 1.059 645 I CA 2.022 63.395 61.300 0.121 0.000 1.317 645 I CB -0.677 37.430 38.000 0.179 0.000 1.037 645 I HN 0.902 nan 8.210 nan 0.000 0.398 646 S N 1.802 117.617 115.700 0.192 0.000 2.381 646 S HA -0.329 4.147 4.470 0.009 0.000 0.230 646 S C 2.247 176.933 174.600 0.144 0.000 1.052 646 S CA 1.514 59.806 58.200 0.153 0.000 1.068 646 S CB -0.956 62.320 63.200 0.126 0.000 0.918 646 S HN 0.468 nan 8.310 nan 0.000 0.448 647 A N 1.235 124.113 122.820 0.097 0.000 1.948 647 A HA -0.009 4.316 4.320 0.009 0.000 0.220 647 A C 2.461 180.100 177.584 0.090 0.000 1.177 647 A CA 2.087 54.169 52.037 0.076 0.000 0.636 647 A CB -1.099 17.927 19.000 0.045 0.000 0.815 647 A HN 0.602 nan 8.150 nan 0.000 0.449 648 V N -0.989 118.982 119.914 0.096 0.000 2.331 648 V HA -0.175 3.951 4.120 0.009 0.000 0.242 648 V C 2.437 178.597 176.094 0.110 0.000 1.034 648 V CA 1.718 64.065 62.300 0.078 0.000 1.027 648 V CB -1.107 30.748 31.823 0.053 0.000 0.667 648 V HN 0.755 nan 8.190 nan 0.000 0.457 649 H N 1.448 120.541 119.070 0.039 0.000 2.255 649 H HA -0.278 4.283 4.556 0.009 0.000 0.290 649 H C 2.518 177.882 175.328 0.061 0.000 1.087 649 H CA 2.853 58.922 56.048 0.036 0.000 1.213 649 H CB -0.200 29.577 29.762 0.026 0.000 1.349 649 H HN 0.268 nan 8.280 nan 0.000 0.487 650 R N 0.167 120.884 120.500 0.361 0.000 2.136 650 R HA -0.228 4.118 4.340 0.009 0.000 0.242 650 R C 2.479 178.888 176.300 0.180 0.000 1.131 650 R CA 2.545 58.828 56.100 0.304 0.000 0.937 650 R CB -0.170 30.251 30.300 0.202 0.000 0.863 650 R HN 0.328 nan 8.270 nan 0.000 0.435 651 E N -0.368 119.903 120.200 0.118 0.000 2.006 651 E HA -0.140 4.216 4.350 0.009 0.000 0.192 651 E C 1.968 178.598 176.600 0.051 0.000 0.993 651 E CA 1.566 58.010 56.400 0.073 0.000 0.808 651 E CB -0.427 29.306 29.700 0.054 0.000 0.764 651 E HN 0.259 nan 8.360 nan 0.000 0.449 652 S N 0.045 115.765 115.700 0.034 0.000 2.399 652 S HA -0.265 4.211 4.470 0.009 0.000 0.235 652 S C 1.945 176.567 174.600 0.035 0.000 1.063 652 S CA 1.665 59.876 58.200 0.018 0.000 1.070 652 S CB -0.518 62.670 63.200 -0.021 0.000 0.904 652 S HN 0.376 nan 8.310 nan 0.000 0.456 653 L N 1.577 122.791 121.223 -0.014 0.000 1.971 653 L HA -0.222 4.124 4.340 0.009 0.000 0.215 653 L C 2.225 179.075 176.870 -0.033 0.000 1.072 653 L CA 2.341 57.143 54.840 -0.062 0.000 0.758 653 L CB -0.977 41.037 42.059 -0.074 0.000 0.889 653 L HN 0.457 nan 8.230 nan 0.000 0.433 654 N N -0.026 118.677 118.700 0.004 0.000 2.036 654 N HA -0.344 4.401 4.740 0.009 0.000 0.199 654 N C 2.002 177.518 175.510 0.010 0.000 1.036 654 N CA 2.475 55.529 53.050 0.007 0.000 0.870 654 N CB -0.448 38.058 38.487 0.032 0.000 1.055 654 N HN 0.477 nan 8.380 nan 0.000 0.436 655 K N 1.689 122.115 120.400 0.044 0.000 2.107 655 K HA -0.196 4.130 4.320 0.009 0.000 0.211 655 K C 1.975 178.651 176.600 0.127 0.000 1.049 655 K CA 1.858 58.194 56.287 0.082 0.000 0.927 655 K CB -1.284 31.269 32.500 0.088 0.000 0.714 655 K HN 0.174 nan 8.250 nan 0.000 0.452 656 L N 0.109 121.404 121.223 0.121 0.000 1.993 656 L HA -0.030 4.316 4.340 0.009 0.000 0.206 656 L C 2.501 179.267 176.870 -0.173 0.000 1.074 656 L CA 2.120 56.943 54.840 -0.028 0.000 0.746 656 L CB -0.609 41.294 42.059 -0.260 0.000 0.896 656 L HN 0.414 nan 8.230 nan 0.000 0.435 657 M N -0.451 119.033 119.600 -0.192 0.000 2.255 657 M HA -0.302 4.184 4.480 0.009 0.000 0.260 657 M C 2.516 178.695 176.300 -0.201 0.000 1.069 657 M CA 2.175 57.324 55.300 -0.252 0.000 1.089 657 M CB -2.077 30.417 32.600 -0.178 0.000 1.269 657 M HN 0.444 nan 8.290 nan 0.000 0.434 658 C N 0.706 119.950 119.300 -0.093 0.000 2.353 658 C HA -0.240 4.226 4.460 0.009 0.000 0.272 658 C C 2.735 177.705 174.990 -0.032 0.000 1.165 658 C CA 1.506 60.497 59.018 -0.045 0.000 1.786 658 C CB -1.522 26.218 27.740 0.001 0.000 2.071 658 C HN 0.619 nan 8.230 nan 0.000 0.451 659 N N 0.406 119.107 118.700 0.001 0.000 2.007 659 N HA -0.128 4.618 4.740 0.009 0.000 0.197 659 N C 1.646 177.167 175.510 0.020 0.000 1.050 659 N CA 1.622 54.719 53.050 0.078 0.000 0.856 659 N CB -0.585 38.013 38.487 0.185 0.000 1.050 659 N HN 0.523 nan 8.380 nan 0.000 0.423 660 L N 0.948 122.079 121.223 -0.153 0.000 2.051 660 L HA -0.173 4.172 4.340 0.009 0.000 0.214 660 L C 1.703 178.434 176.870 -0.232 0.000 1.076 660 L CA 1.104 55.748 54.840 -0.326 0.000 0.758 660 L CB -0.424 41.139 42.059 -0.827 0.000 0.890 660 L HN 0.162 nan 8.230 nan 0.000 0.433 661 R N 0.623 121.000 120.500 -0.206 0.000 2.416 661 R HA -0.072 4.273 4.340 0.009 0.000 0.205 661 R C 0.073 176.420 176.300 0.079 0.000 1.150 661 R CA 0.400 56.502 56.100 0.002 0.000 1.139 661 R CB -0.953 29.335 30.300 -0.020 0.000 0.861 661 R HN 0.149 nan 8.270 nan 0.000 0.480 662 R N -0.454 120.093 120.500 0.079 0.000 2.924 662 R HA 0.117 4.462 4.340 0.009 0.000 0.233 662 R C -1.701 174.654 176.300 0.091 0.000 1.685 662 R CA -0.194 55.963 56.100 0.094 0.000 1.462 662 R CB 0.243 30.595 30.300 0.087 0.000 1.542 662 R HN 0.003 nan 8.270 nan 0.000 0.667 663 T N 1.044 115.662 114.554 0.106 0.000 4.242 663 T HA 0.133 4.488 4.350 0.009 0.000 0.422 663 T C -1.561 173.212 174.700 0.121 0.000 1.136 663 T CA -0.772 61.379 62.100 0.085 0.000 1.071 663 T CB 0.312 69.241 68.868 0.102 0.000 1.260 663 T HN 0.478 nan 8.240 nan 0.000 0.453 664 N N 5.886 124.660 118.700 0.123 0.000 2.418 664 N HA 0.223 4.968 4.740 0.009 0.000 0.277 664 N C -2.447 173.190 175.510 0.212 0.000 1.317 664 N CA -0.553 52.603 53.050 0.178 0.000 0.922 664 N CB 0.641 39.263 38.487 0.226 0.000 1.194 664 N HN 0.320 nan 8.380 nan 0.000 0.485 665 P HA 0.120 nan 4.420 nan 0.000 0.272 665 P C -0.907 176.232 177.300 -0.267 0.000 1.223 665 P CA 0.272 63.267 63.100 -0.176 0.000 0.784 665 P CB 0.615 32.014 31.700 -0.501 0.000 0.923 666 H N 0.467 119.098 119.070 -0.731 0.000 2.949 666 H HA 0.539 5.101 4.556 0.009 0.000 0.356 666 H C -0.862 173.824 175.328 -1.070 0.000 1.212 666 H CA -0.293 55.421 56.048 -0.556 0.000 1.136 666 H CB 1.532 31.189 29.762 -0.176 0.000 1.869 666 H HN 0.311 nan 8.280 nan 0.000 0.556 667 F N -0.468 119.581 119.950 0.164 0.000 2.662 667 F HA 0.535 5.068 4.527 0.009 0.000 0.312 667 F C -0.712 175.053 175.800 -0.058 0.000 1.113 667 F CA -0.799 57.212 58.000 0.018 0.000 0.951 667 F CB 2.031 41.030 39.000 -0.002 0.000 1.344 667 F HN 0.130 nan 8.300 nan 0.000 0.462 668 V N 2.139 122.065 119.914 0.019 0.000 2.775 668 V HA 0.453 4.579 4.120 0.009 0.000 0.295 668 V C -1.370 174.639 176.094 -0.142 0.000 1.226 668 V CA -0.823 61.439 62.300 -0.064 0.000 0.934 668 V CB 2.138 33.923 31.823 -0.063 0.000 1.056 668 V HN 0.621 nan 8.190 nan 0.000 0.436 669 R N 2.910 123.303 120.500 -0.178 0.000 2.352 669 R HA 0.493 4.839 4.340 0.009 0.000 0.304 669 R C -0.648 175.549 176.300 -0.173 0.000 1.104 669 R CA -0.357 55.615 56.100 -0.213 0.000 0.991 669 R CB 1.172 31.294 30.300 -0.297 0.000 1.140 669 R HN 0.717 nan 8.270 nan 0.000 0.540 670 C N 3.156 122.365 119.300 -0.152 0.000 2.604 670 C HA 0.580 5.046 4.460 0.009 0.000 0.396 670 C C 0.975 175.878 174.990 -0.145 0.000 1.282 670 C CA -0.553 58.374 59.018 -0.151 0.000 2.292 670 C CB 0.028 27.698 27.740 -0.118 0.000 2.633 670 C HN 0.625 nan 8.230 nan 0.000 0.620 671 I N 1.334 121.807 120.570 -0.161 0.000 2.569 671 I HA 0.392 4.568 4.170 0.009 0.000 0.290 671 I C 0.155 176.179 176.117 -0.155 0.000 1.088 671 I CA -0.437 60.774 61.300 -0.148 0.000 1.047 671 I CB 1.348 39.249 38.000 -0.165 0.000 1.237 671 I HN 0.630 nan 8.210 nan 0.000 0.421 672 I N 7.427 127.935 120.570 -0.102 0.000 2.329 672 I HA 0.277 4.452 4.170 0.009 0.000 0.295 672 I C -1.142 174.909 176.117 -0.111 0.000 1.109 672 I CA -1.662 59.593 61.300 -0.075 0.000 1.297 672 I CB -0.771 37.234 38.000 0.009 0.000 1.433 672 I HN 0.497 nan 8.210 nan 0.000 0.509 673 P HA -0.227 nan 4.420 nan 0.000 0.216 673 P C 0.205 177.439 177.300 -0.110 0.000 1.167 673 P CA 2.498 65.413 63.100 -0.308 0.000 0.914 673 P CB 0.130 31.533 31.700 -0.495 0.000 0.793 674 N N -3.791 114.938 118.700 0.048 0.000 2.647 674 N HA 0.305 5.051 4.740 0.009 0.000 0.266 674 N C -0.264 175.326 175.510 0.133 0.000 1.373 674 N CA -0.852 52.254 53.050 0.092 0.000 0.807 674 N CB 0.249 38.799 38.487 0.106 0.000 1.513 674 N HN -0.283 nan 8.380 nan 0.000 0.505 675 L N -0.429 120.837 121.223 0.071 0.000 2.660 675 L HA 0.293 4.639 4.340 0.009 0.000 0.238 675 L C 0.436 177.318 176.870 0.020 0.000 1.161 675 L CA 1.071 55.938 54.840 0.045 0.000 0.937 675 L CB -1.206 40.866 42.059 0.022 0.000 1.122 675 L HN 0.859 nan 8.230 nan 0.000 0.435 676 E N -0.423 119.788 120.200 0.018 0.000 3.428 676 E HA 0.226 4.582 4.350 0.009 0.000 0.191 676 E C 0.704 177.207 176.600 -0.163 0.000 0.980 676 E CA 0.470 56.844 56.400 -0.043 0.000 1.305 676 E CB -0.372 29.322 29.700 -0.010 0.000 1.105 676 E HN 0.042 nan 8.360 nan 0.000 0.455 677 K N -0.378 119.819 120.400 -0.337 0.000 3.273 677 K HA -0.218 4.108 4.320 0.009 0.000 0.262 677 K C -0.102 175.902 176.600 -0.993 0.000 0.850 677 K CA 1.753 57.331 56.287 -1.181 0.000 0.626 677 K CB -2.770 29.280 32.500 -0.750 0.000 1.488 677 K HN 0.699 nan 8.250 nan 0.000 0.469 678 D N 0.917 121.155 120.400 -0.269 0.000 2.454 678 D HA 0.577 5.222 4.640 0.009 0.000 0.225 678 D C -2.222 174.324 176.300 0.410 0.000 1.081 678 D CA -1.510 52.525 54.000 0.059 0.000 0.864 678 D CB 0.774 41.612 40.800 0.063 0.000 1.040 678 D HN 0.366 nan 8.370 nan 0.000 0.517 679 P HA 0.298 nan 4.420 nan 0.000 0.267 679 P C 1.547 179.009 177.300 0.269 0.000 1.201 679 P CA 1.803 65.163 63.100 0.435 0.000 0.775 679 P CB 1.309 33.172 31.700 0.272 0.000 0.854 680 G N 0.685 109.622 108.800 0.228 0.000 2.900 680 G HA2 -0.301 3.665 3.960 0.009 0.000 0.223 680 G HA3 -0.301 3.665 3.960 0.009 0.000 0.223 680 G C 0.050 175.205 174.900 0.425 0.000 1.293 680 G CA 0.247 45.449 45.100 0.169 0.000 0.792 680 G HN 0.690 nan 8.290 nan 0.000 0.527 681 L N 1.364 122.774 121.223 0.311 0.000 2.516 681 L HA 0.540 4.886 4.340 0.009 0.000 0.288 681 L C 0.163 177.145 176.870 0.187 0.000 1.246 681 L CA 0.357 55.330 54.840 0.222 0.000 0.844 681 L CB 1.079 43.239 42.059 0.169 0.000 1.106 681 L HN 0.701 nan 8.230 nan 0.000 0.509 682 V N 3.981 123.948 119.914 0.088 0.000 2.663 682 V HA 0.183 4.308 4.120 0.009 0.000 0.286 682 V C -1.125 174.967 176.094 -0.003 0.000 1.085 682 V CA -0.709 61.577 62.300 -0.024 0.000 0.916 682 V CB 1.418 33.208 31.823 -0.055 0.000 1.039 682 V HN 0.832 nan 8.190 nan 0.000 0.453 683 D N 4.147 124.538 120.400 -0.015 0.000 2.558 683 D HA 0.513 5.159 4.640 0.009 0.000 0.221 683 D C 1.356 177.641 176.300 -0.026 0.000 1.143 683 D CA 0.554 54.548 54.000 -0.008 0.000 1.010 683 D CB 1.305 42.104 40.800 -0.002 0.000 1.068 683 D HN 0.633 nan 8.370 nan 0.000 0.511 684 A N 3.398 126.205 122.820 -0.022 0.000 1.916 684 A HA -0.394 3.932 4.320 0.009 0.000 0.224 684 A C 2.220 179.782 177.584 -0.035 0.000 1.366 684 A CA 3.061 55.082 52.037 -0.026 0.000 0.692 684 A CB -1.451 17.545 19.000 -0.006 0.000 0.841 684 A HN 0.588 nan 8.150 nan 0.000 0.480 685 E N -1.241 118.931 120.200 -0.047 0.000 2.136 685 E HA -0.265 4.091 4.350 0.009 0.000 0.208 685 E C 1.961 178.554 176.600 -0.011 0.000 1.035 685 E CA 1.959 58.330 56.400 -0.048 0.000 0.838 685 E CB -1.030 28.637 29.700 -0.054 0.000 0.748 685 E HN 0.821 nan 8.360 nan 0.000 0.459 686 L N -0.115 121.102 121.223 -0.010 0.000 2.456 686 L HA 0.005 4.351 4.340 0.009 0.000 0.224 686 L C 2.211 179.093 176.870 0.019 0.000 1.148 686 L CA 1.158 56.006 54.840 0.015 0.000 0.825 686 L CB 0.331 42.391 42.059 0.002 0.000 0.937 686 L HN 0.300 nan 8.230 nan 0.000 0.450 687 V N -1.811 118.095 119.914 -0.014 0.000 2.922 687 V HA -0.071 4.054 4.120 0.009 0.000 0.242 687 V C 2.160 178.237 176.094 -0.029 0.000 1.094 687 V CA 0.661 62.936 62.300 -0.041 0.000 1.106 687 V CB -0.068 31.707 31.823 -0.079 0.000 0.799 687 V HN 0.248 nan 8.190 nan 0.000 0.474 688 L N 0.194 121.412 121.223 -0.008 0.000 2.079 688 L HA -0.224 4.122 4.340 0.009 0.000 0.210 688 L C 2.609 179.479 176.870 -0.001 0.000 1.081 688 L CA 2.145 56.984 54.840 -0.000 0.000 0.752 688 L CB -0.854 41.207 42.059 0.004 0.000 0.896 688 L HN 0.523 nan 8.230 nan 0.000 0.433 689 H N 0.247 119.279 119.070 -0.063 0.000 2.363 689 H HA -0.125 4.436 4.556 0.009 0.000 0.301 689 H C 2.131 177.410 175.328 -0.081 0.000 1.074 689 H CA 1.523 57.527 56.048 -0.074 0.000 1.354 689 H CB 0.306 30.035 29.762 -0.054 0.000 1.397 689 H HN 0.442 nan 8.280 nan 0.000 0.516 690 Q N 0.417 120.156 119.800 -0.101 0.000 1.990 690 Q HA -0.095 4.251 4.340 0.009 0.000 0.200 690 Q C 2.753 178.650 176.000 -0.173 0.000 0.980 690 Q CA 1.318 57.029 55.803 -0.153 0.000 0.832 690 Q CB 0.063 28.758 28.738 -0.071 0.000 0.897 690 Q HN 0.435 nan 8.270 nan 0.000 0.427 691 L N 0.779 121.929 121.223 -0.122 0.000 2.349 691 L HA -0.217 4.128 4.340 0.009 0.000 0.220 691 L C 2.414 179.216 176.870 -0.113 0.000 1.130 691 L CA 0.693 55.468 54.840 -0.108 0.000 0.791 691 L CB -0.219 41.792 42.059 -0.079 0.000 0.918 691 L HN 0.287 nan 8.230 nan 0.000 0.444 692 Q N -0.507 119.202 119.800 -0.152 0.000 2.245 692 Q HA -0.105 4.241 4.340 0.009 0.000 0.201 692 Q C 1.982 177.863 176.000 -0.198 0.000 0.955 692 Q CA 1.489 57.195 55.803 -0.162 0.000 0.870 692 Q CB -0.086 28.535 28.738 -0.194 0.000 0.945 692 Q HN 0.493 nan 8.270 nan 0.000 0.461 693 C N 0.388 119.520 119.300 -0.281 0.000 2.791 693 C HA 0.316 4.781 4.460 0.009 0.000 0.270 693 C C 1.612 176.565 174.990 -0.061 0.000 1.257 693 C CA -0.182 58.698 59.018 -0.231 0.000 1.699 693 C CB -1.000 26.517 27.740 -0.371 0.000 1.904 693 C HN 0.496 nan 8.230 nan 0.000 0.603 694 N N 0.998 119.620 118.700 -0.129 0.000 2.207 694 N HA 0.185 4.931 4.740 0.009 0.000 0.182 694 N C 1.785 177.131 175.510 -0.274 0.000 1.020 694 N CA 1.863 54.784 53.050 -0.216 0.000 0.858 694 N CB -0.113 38.236 38.487 -0.230 0.000 0.991 694 N HN 0.517 nan 8.380 nan 0.000 0.427 695 G N -0.819 107.893 108.800 -0.146 0.000 2.278 695 G HA2 -0.308 3.657 3.960 0.009 0.000 0.210 695 G HA3 -0.308 3.657 3.960 0.009 0.000 0.210 695 G C 1.169 176.105 174.900 0.059 0.000 1.000 695 G CA 0.398 45.399 45.100 -0.166 0.000 0.635 695 G HN 0.249 nan 8.290 nan 0.000 0.495 696 V N 0.574 120.637 119.914 0.249 0.000 2.220 696 V HA -0.246 3.880 4.120 0.009 0.000 0.250 696 V C 2.767 178.802 176.094 -0.098 0.000 1.056 696 V CA 2.499 64.872 62.300 0.122 0.000 1.016 696 V CB -1.326 30.566 31.823 0.115 0.000 0.639 696 V HN 0.442 nan 8.190 nan 0.000 0.446 697 L N -0.085 121.096 121.223 -0.071 0.000 2.081 697 L HA -0.209 4.136 4.340 0.009 0.000 0.212 697 L C 2.999 179.811 176.870 -0.098 0.000 1.080 697 L CA 2.382 57.172 54.840 -0.083 0.000 0.754 697 L CB -0.798 41.226 42.059 -0.058 0.000 0.893 697 L HN 0.524 nan 8.230 nan 0.000 0.433 698 E N 0.388 120.531 120.200 -0.094 0.000 2.152 698 E HA -0.139 4.216 4.350 0.009 0.000 0.192 698 E C 2.145 178.654 176.600 -0.153 0.000 0.983 698 E CA 1.019 57.365 56.400 -0.091 0.000 0.818 698 E CB 0.007 29.667 29.700 -0.066 0.000 0.758 698 E HN 0.482 nan 8.360 nan 0.000 0.467 699 G N 1.631 110.294 108.800 -0.229 0.000 2.442 699 G HA2 -0.240 3.726 3.960 0.009 0.000 0.219 699 G HA3 -0.240 3.726 3.960 0.009 0.000 0.219 699 G C 1.682 176.417 174.900 -0.275 0.000 1.141 699 G CA 0.580 45.515 45.100 -0.275 0.000 0.763 699 G HN 0.219 nan 8.290 nan 0.000 0.554 700 I N -0.062 120.364 120.570 -0.240 0.000 2.072 700 I HA -0.194 3.981 4.170 0.009 0.000 0.235 700 I C 2.867 178.865 176.117 -0.198 0.000 1.058 700 I CA 1.515 62.691 61.300 -0.206 0.000 1.320 700 I CB -0.272 37.631 38.000 -0.162 0.000 1.047 700 I HN 0.147 nan 8.210 nan 0.000 0.397 701 R N 1.005 121.411 120.500 -0.157 0.000 2.165 701 R HA -0.256 4.090 4.340 0.009 0.000 0.254 701 R C 2.172 178.348 176.300 -0.207 0.000 1.153 701 R CA 2.096 58.113 56.100 -0.139 0.000 0.971 701 R CB -0.297 29.951 30.300 -0.086 0.000 0.878 701 R HN 0.355 nan 8.270 nan 0.000 0.449 702 I N 0.174 120.584 120.570 -0.266 0.000 2.226 702 I HA -0.301 3.875 4.170 0.009 0.000 0.245 702 I C 2.736 178.544 176.117 -0.515 0.000 1.100 702 I CA 0.920 61.951 61.300 -0.447 0.000 1.374 702 I CB -1.462 36.207 38.000 -0.551 0.000 1.057 702 I HN 0.406 nan 8.210 nan 0.000 0.413 703 C N 1.129 120.195 119.300 -0.391 0.000 2.442 703 C HA -0.151 4.315 4.460 0.009 0.000 0.279 703 C C 3.064 177.890 174.990 -0.274 0.000 1.237 703 C CA 0.730 59.550 59.018 -0.330 0.000 1.722 703 C CB -0.888 26.692 27.740 -0.266 0.000 2.056 703 C HN 0.427 nan 8.230 nan 0.000 0.469 704 R N 0.504 120.868 120.500 -0.226 0.000 2.162 704 R HA -0.210 4.135 4.340 0.009 0.000 0.245 704 R C 2.315 178.492 176.300 -0.206 0.000 1.129 704 R CA 1.975 57.968 56.100 -0.178 0.000 0.940 704 R CB -0.316 29.901 30.300 -0.138 0.000 0.875 704 R HN 0.540 nan 8.270 nan 0.000 0.437 705 K N -0.354 119.890 120.400 -0.260 0.000 1.990 705 K HA -0.173 4.152 4.320 0.009 0.000 0.225 705 K C 1.711 178.093 176.600 -0.363 0.000 1.053 705 K CA 1.733 57.832 56.287 -0.313 0.000 0.982 705 K CB -1.194 31.021 32.500 -0.476 0.000 0.734 705 K HN 0.347 nan 8.250 nan 0.000 0.448 706 G N 0.521 109.086 108.800 -0.392 0.000 2.421 706 G HA2 0.079 4.045 3.960 0.009 0.000 0.238 706 G HA3 0.079 4.045 3.960 0.009 0.000 0.238 706 G C -0.398 174.211 174.900 -0.486 0.000 1.544 706 G CA -0.223 44.637 45.100 -0.399 0.000 1.044 706 G HN 0.182 nan 8.290 nan 0.000 0.537 707 F N 1.439 121.528 119.950 0.233 0.000 2.319 707 F HA 0.381 4.914 4.527 0.010 0.000 0.356 707 F C -1.681 174.146 175.800 0.046 0.000 1.100 707 F CA -1.737 56.405 58.000 0.236 0.000 1.220 707 F CB 1.623 40.904 39.000 0.468 0.000 1.506 707 F HN 0.119 nan 8.300 nan 0.000 0.512 708 P HA -0.031 nan 4.420 nan 0.000 0.206 708 P C 0.084 177.327 177.300 -0.096 0.000 1.093 708 P CA 0.267 63.311 63.100 -0.093 0.000 0.703 708 P CB 0.059 31.691 31.700 -0.113 0.000 0.622 709 S N 1.505 117.169 115.700 -0.061 0.000 3.731 709 S HA -0.138 4.338 4.470 0.009 0.000 0.394 709 S C 0.523 175.154 174.600 0.052 0.000 0.700 709 S CA 0.420 58.615 58.200 -0.008 0.000 1.881 709 S CB -1.298 61.926 63.200 0.041 0.000 1.196 709 S HN 0.165 nan 8.310 nan 0.000 0.566 710 R N 2.309 122.748 120.500 -0.102 0.000 2.607 710 R HA 0.781 5.127 4.340 0.009 0.000 0.261 710 R C -0.289 176.025 176.300 0.024 0.000 1.051 710 R CA -0.851 55.164 56.100 -0.142 0.000 1.110 710 R CB 0.631 30.595 30.300 -0.560 0.000 1.158 710 R HN 0.445 nan 8.270 nan 0.000 0.543 711 L N 1.083 122.340 121.223 0.058 0.000 2.545 711 L HA 0.424 4.770 4.340 0.009 0.000 0.258 711 L C -0.602 176.282 176.870 0.023 0.000 0.942 711 L CA -0.949 53.962 54.840 0.118 0.000 0.855 711 L CB 2.607 44.867 42.059 0.335 0.000 1.374 711 L HN 0.527 nan 8.230 nan 0.000 0.411 712 I N 1.755 122.353 120.570 0.045 0.000 2.556 712 I HA -0.007 4.168 4.170 0.009 0.000 0.284 712 I C 0.567 176.767 176.117 0.137 0.000 1.114 712 I CA -0.188 61.107 61.300 -0.008 0.000 1.418 712 I CB 0.211 38.230 38.000 0.031 0.000 1.394 712 I HN 0.545 nan 8.210 nan 0.000 0.552 713 Y N 3.424 123.809 120.300 0.143 0.000 2.241 713 Y HA -0.261 4.295 4.550 0.010 0.000 0.286 713 Y C 2.538 178.568 175.900 0.217 0.000 1.166 713 Y CA 1.265 59.491 58.100 0.211 0.000 1.203 713 Y CB -0.930 37.603 38.460 0.121 0.000 0.977 713 Y HN 0.645 nan 8.280 nan 0.000 0.529 714 S N -0.140 115.721 115.700 0.268 0.000 2.354 714 S HA -0.267 4.209 4.470 0.009 0.000 0.219 714 S C 2.278 176.962 174.600 0.141 0.000 1.035 714 S CA 1.797 60.095 58.200 0.163 0.000 1.037 714 S CB -0.723 62.536 63.200 0.098 0.000 0.956 714 S HN 0.673 nan 8.310 nan 0.000 0.428 715 E N 0.289 120.572 120.200 0.139 0.000 2.511 715 E HA 0.100 4.456 4.350 0.009 0.000 0.196 715 E C 1.367 178.069 176.600 0.170 0.000 1.066 715 E CA 0.422 56.886 56.400 0.107 0.000 0.871 715 E CB -0.778 28.972 29.700 0.084 0.000 0.863 715 E HN 0.576 nan 8.360 nan 0.000 0.520 716 F N 1.620 121.652 119.950 0.138 0.000 2.188 716 F HA 0.059 4.591 4.527 0.009 0.000 0.289 716 F C 2.317 178.223 175.800 0.176 0.000 1.082 716 F CA 1.680 59.807 58.000 0.213 0.000 1.282 716 F CB 0.120 39.299 39.000 0.298 0.000 1.060 716 F HN 0.163 nan 8.300 nan 0.000 0.493 717 K N 0.731 121.133 120.400 0.004 0.000 1.978 717 K HA -0.325 4.001 4.320 0.009 0.000 0.214 717 K C 1.990 178.482 176.600 -0.181 0.000 1.049 717 K CA 2.008 58.218 56.287 -0.129 0.000 0.939 717 K CB -1.301 31.215 32.500 0.027 0.000 0.721 717 K HN 0.465 nan 8.250 nan 0.000 0.441 718 Q N 0.885 120.621 119.800 -0.107 0.000 2.173 718 Q HA -0.254 4.091 4.340 0.009 0.000 0.208 718 Q C 2.167 178.037 176.000 -0.217 0.000 0.989 718 Q CA 2.167 57.892 55.803 -0.130 0.000 0.872 718 Q CB -0.257 28.428 28.738 -0.088 0.000 0.909 718 Q HN 0.376 nan 8.270 nan 0.000 0.420 719 R N -0.510 119.817 120.500 -0.287 0.000 2.093 719 R HA 0.008 4.354 4.340 0.009 0.000 0.224 719 R C 0.150 175.968 176.300 -0.802 0.000 1.101 719 R CA 1.222 57.021 56.100 -0.501 0.000 0.979 719 R CB -0.019 29.985 30.300 -0.492 0.000 0.877 719 R HN 0.527 nan 8.270 nan 0.000 0.441 720 Y N -0.554 119.501 120.300 -0.409 0.000 2.669 720 Y HA 0.359 4.915 4.550 0.009 0.000 0.302 720 Y C 1.114 176.795 175.900 -0.365 0.000 1.000 720 Y CA -0.309 57.535 58.100 -0.426 0.000 1.222 720 Y CB 0.941 39.026 38.460 -0.626 0.000 1.209 720 Y HN 0.008 nan 8.280 nan 0.000 0.571 721 S N -0.045 115.549 115.700 -0.178 0.000 2.486 721 S HA 0.024 4.499 4.470 0.009 0.000 0.220 721 S C 1.887 176.442 174.600 -0.075 0.000 1.011 721 S CA 0.393 58.523 58.200 -0.117 0.000 0.921 721 S CB 0.028 63.163 63.200 -0.109 0.000 0.785 721 S HN 0.442 nan 8.310 nan 0.000 0.517 722 I N 2.149 122.670 120.570 -0.082 0.000 2.756 722 I HA -0.042 4.133 4.170 0.009 0.000 0.262 722 I C 1.527 177.633 176.117 -0.019 0.000 1.225 722 I CA 1.015 62.283 61.300 -0.054 0.000 1.472 722 I CB -1.026 36.932 38.000 -0.070 0.000 1.094 722 I HN 0.365 nan 8.210 nan 0.000 0.454 723 L N 0.359 121.582 121.223 -0.001 0.000 2.610 723 L HA 0.055 4.401 4.340 0.009 0.000 0.232 723 L C 0.761 177.637 176.870 0.009 0.000 1.149 723 L CA 0.371 55.221 54.840 0.017 0.000 0.872 723 L CB -0.322 41.758 42.059 0.035 0.000 0.992 723 L HN 0.266 nan 8.230 nan 0.000 0.447 724 A N -1.109 121.712 122.820 0.000 0.000 3.134 724 A HA 0.360 4.685 4.320 0.009 0.000 0.237 724 A C -2.143 175.439 177.584 -0.003 0.000 1.233 724 A CA -0.468 51.571 52.037 0.004 0.000 1.112 724 A CB -0.241 18.766 19.000 0.011 0.000 1.365 724 A HN -0.041 nan 8.150 nan 0.000 0.796 725 P HA -0.105 nan 4.420 nan 0.000 0.218 725 P C 1.148 178.444 177.300 -0.007 0.000 1.149 725 P CA 1.101 64.192 63.100 -0.014 0.000 0.817 725 P CB 0.160 31.849 31.700 -0.017 0.000 0.785 726 N N -0.712 117.989 118.700 0.000 0.000 2.515 726 N HA 0.027 4.772 4.740 0.009 0.000 0.185 726 N C 1.077 176.589 175.510 0.003 0.000 1.109 726 N CA 0.670 53.723 53.050 0.004 0.000 0.903 726 N CB 0.055 38.547 38.487 0.009 0.000 0.969 726 N HN 0.113 nan 8.380 nan 0.000 0.450 727 A N 0.374 123.195 122.820 0.003 0.000 2.465 727 A HA 0.238 4.563 4.320 0.009 0.000 0.255 727 A C 0.225 177.809 177.584 -0.000 0.000 1.274 727 A CA -0.202 51.837 52.037 0.003 0.000 0.920 727 A CB 0.235 19.239 19.000 0.007 0.000 1.033 727 A HN -0.008 nan 8.150 nan 0.000 0.516 728 I N 0.679 121.246 120.570 -0.004 0.000 2.291 728 I HA 0.243 4.418 4.170 0.009 0.000 0.290 728 I C -1.657 174.455 176.117 -0.008 0.000 1.050 728 I CA -2.134 59.162 61.300 -0.007 0.000 1.245 728 I CB 0.400 38.393 38.000 -0.012 0.000 1.405 728 I HN -0.041 nan 8.210 nan 0.000 0.478 729 P HA -0.240 nan 4.420 nan 0.000 0.222 729 P C 0.591 177.886 177.300 -0.008 0.000 1.154 729 P CA 1.292 64.388 63.100 -0.007 0.000 0.874 729 P CB 0.218 31.913 31.700 -0.008 0.000 0.787 735 G N -1.049 107.763 108.800 0.020 0.000 2.472 735 G HA2 0.283 4.249 3.960 0.009 0.000 0.212 735 G HA3 0.283 4.249 3.960 0.009 0.000 0.212 735 G C 1.024 175.925 174.900 0.001 0.000 1.484 735 G CA 1.121 46.256 45.100 0.059 0.000 0.542 735 G HN 0.650 nan 8.290 nan 0.000 1.118 736 K N 1.236 121.600 120.400 -0.060 0.000 2.555 736 K HA 0.217 4.542 4.320 0.009 0.000 0.193 736 K C 2.148 178.445 176.600 -0.505 0.000 1.032 736 K CA 2.006 58.006 56.287 -0.479 0.000 1.004 736 K CB -1.027 31.401 32.500 -0.119 0.000 0.804 736 K HN 0.540 nan 8.250 nan 0.000 0.496 737 T N -3.025 111.396 114.554 -0.222 0.000 3.156 737 T HA 0.006 4.361 4.350 0.009 0.000 0.236 737 T C 2.005 176.651 174.700 -0.090 0.000 0.978 737 T CA 0.786 62.798 62.100 -0.148 0.000 1.240 737 T CB -0.553 68.268 68.868 -0.078 0.000 0.951 737 T HN 0.003 nan 8.240 nan 0.000 0.420 738 V N 2.688 122.577 119.914 -0.040 0.000 2.280 738 V HA -0.287 3.838 4.120 0.009 0.000 0.258 738 V C 2.930 179.048 176.094 0.039 0.000 1.081 738 V CA 2.564 64.864 62.300 0.001 0.000 1.070 738 V CB -1.277 30.555 31.823 0.016 0.000 0.666 738 V HN 0.551 nan 8.190 nan 0.000 0.450 739 S N -1.463 114.284 115.700 0.078 0.000 2.357 739 S HA -0.176 4.300 4.470 0.009 0.000 0.221 739 S C 1.851 176.515 174.600 0.106 0.000 1.031 739 S CA 1.304 59.672 58.200 0.280 0.000 0.982 739 S CB -0.301 63.192 63.200 0.489 0.000 0.853 739 S HN 0.681 nan 8.310 nan 0.000 0.458 740 E N 1.309 121.446 120.200 -0.106 0.000 2.082 740 E HA -0.264 4.091 4.350 0.009 0.000 0.215 740 E C 2.112 178.710 176.600 -0.002 0.000 1.048 740 E CA 1.493 57.832 56.400 -0.102 0.000 0.869 740 E CB -0.177 29.447 29.700 -0.127 0.000 0.773 740 E HN 0.412 nan 8.360 nan 0.000 0.466 741 K N 0.279 120.682 120.400 0.005 0.000 1.965 741 K HA -0.180 4.146 4.320 0.009 0.000 0.220 741 K C 2.323 178.955 176.600 0.055 0.000 1.046 741 K CA 1.460 57.763 56.287 0.025 0.000 0.974 741 K CB -0.573 31.935 32.500 0.014 0.000 0.738 741 K HN 0.120 nan 8.250 nan 0.000 0.444 742 I N 1.516 122.128 120.570 0.070 0.000 2.267 742 I HA -0.446 3.729 4.170 0.009 0.000 0.239 742 I C 2.428 178.599 176.117 0.091 0.000 0.984 742 I CA 1.761 63.109 61.300 0.081 0.000 1.272 742 I CB -0.667 37.391 38.000 0.096 0.000 0.976 742 I HN 0.260 nan 8.210 nan 0.000 0.407 743 L N -0.309 120.985 121.223 0.119 0.000 2.012 743 L HA -0.247 4.098 4.340 0.009 0.000 0.210 743 L C 2.619 179.537 176.870 0.080 0.000 1.073 743 L CA 2.061 56.928 54.840 0.046 0.000 0.748 743 L CB -1.121 40.856 42.059 -0.137 0.000 0.891 743 L HN 0.379 nan 8.230 nan 0.000 0.431 744 T N -0.229 114.377 114.554 0.087 0.000 2.614 744 T HA -0.157 4.199 4.350 0.009 0.000 0.263 744 T C 1.857 176.593 174.700 0.061 0.000 1.055 744 T CA 1.494 63.644 62.100 0.084 0.000 1.162 744 T CB -0.865 68.038 68.868 0.058 0.000 0.863 744 T HN 0.542 nan 8.240 nan 0.000 0.414 745 G N 1.187 110.014 108.800 0.045 0.000 2.450 745 G HA2 -0.154 3.812 3.960 0.009 0.000 0.220 745 G HA3 -0.154 3.812 3.960 0.009 0.000 0.220 745 G C 1.502 176.424 174.900 0.037 0.000 1.130 745 G CA 0.480 45.600 45.100 0.035 0.000 0.760 745 G HN 0.447 nan 8.290 nan 0.000 0.557 746 L N -0.294 120.955 121.223 0.042 0.000 2.275 746 L HA -0.089 4.257 4.340 0.009 0.000 0.215 746 L C 2.036 178.934 176.870 0.047 0.000 1.119 746 L CA 1.392 56.255 54.840 0.038 0.000 0.790 746 L CB -0.045 42.033 42.059 0.031 0.000 0.919 746 L HN 0.565 nan 8.230 nan 0.000 0.443 747 Q N -1.243 118.594 119.800 0.062 0.000 2.451 747 Q HA -0.228 4.118 4.340 0.009 0.000 0.241 747 Q C -0.165 175.897 176.000 0.103 0.000 0.714 747 Q CA 0.403 56.248 55.803 0.070 0.000 1.257 747 Q CB -1.912 26.857 28.738 0.051 0.000 1.243 747 Q HN 0.297 nan 8.270 nan 0.000 0.783 748 M N 2.754 122.438 119.600 0.140 0.000 2.394 748 M HA 0.009 4.495 4.480 0.009 0.000 0.394 748 M C 0.234 176.709 176.300 0.292 0.000 1.611 748 M CA 1.057 56.500 55.300 0.239 0.000 0.941 748 M CB -0.203 32.563 32.600 0.277 0.000 2.094 748 M HN 0.237 nan 8.290 nan 0.000 0.485 749 D N 7.212 127.742 120.400 0.217 0.000 2.358 749 D HA 0.094 4.740 4.640 0.009 0.000 0.258 749 D C -1.679 174.638 176.300 0.028 0.000 1.223 749 D CA -1.547 52.522 54.000 0.115 0.000 0.886 749 D CB 1.136 41.993 40.800 0.094 0.000 1.120 749 D HN 0.307 nan 8.370 nan 0.000 0.482 750 P HA -0.270 nan 4.420 nan 0.000 0.222 750 P C 1.532 178.639 177.300 -0.320 0.000 1.155 750 P CA 1.448 64.301 63.100 -0.412 0.000 0.890 750 P CB 0.166 31.693 31.700 -0.289 0.000 0.790 751 S N -0.645 114.990 115.700 -0.107 0.000 2.377 751 S HA -0.309 4.167 4.470 0.009 0.000 0.224 751 S C 1.892 176.595 174.600 0.172 0.000 1.042 751 S CA 2.100 60.309 58.200 0.015 0.000 1.086 751 S CB -1.084 62.155 63.200 0.066 0.000 0.995 751 S HN 0.030 nan 8.310 nan 0.000 0.428 752 E N 0.442 120.776 120.200 0.223 0.000 2.164 752 E HA -0.139 4.217 4.350 0.009 0.000 0.206 752 E C 0.966 177.894 176.600 0.548 0.000 1.032 752 E CA 2.165 58.809 56.400 0.407 0.000 0.832 752 E CB -0.260 29.691 29.700 0.419 0.000 0.742 752 E HN 0.907 nan 8.360 nan 0.000 0.460 753 Y N -3.275 117.049 120.300 0.040 0.000 3.048 753 Y HA 0.780 5.336 4.550 0.009 0.000 0.305 753 Y C -0.677 174.762 175.900 -0.767 0.000 1.538 753 Y CA -1.470 56.420 58.100 -0.350 0.000 1.082 753 Y CB 1.182 39.449 38.460 -0.321 0.000 1.388 753 Y HN -0.401 nan 8.280 nan 0.000 0.557 754 R N 1.099 121.279 120.500 -0.532 0.000 2.725 754 R HA 0.314 4.660 4.340 0.009 0.000 0.276 754 R C -2.008 173.984 176.300 -0.514 0.000 1.189 754 R CA -0.531 55.202 56.100 -0.611 0.000 1.083 754 R CB 1.444 31.271 30.300 -0.789 0.000 1.262 754 R HN 0.813 nan 8.270 nan 0.000 0.415 755 L N 1.811 122.854 121.223 -0.301 0.000 2.380 755 L HA 0.321 4.666 4.340 0.009 0.000 0.273 755 L C 1.568 178.226 176.870 -0.354 0.000 1.138 755 L CA 0.129 54.835 54.840 -0.222 0.000 0.832 755 L CB 1.165 43.222 42.059 -0.004 0.000 1.124 755 L HN 0.815 nan 8.230 nan 0.000 0.454 756 G N 1.060 109.594 108.800 -0.444 0.000 2.558 756 G HA2 0.163 4.128 3.960 0.009 0.000 0.218 756 G HA3 0.163 4.128 3.960 0.009 0.000 0.218 756 G C 0.872 175.696 174.900 -0.128 0.000 1.567 756 G CA 1.126 45.995 45.100 -0.386 0.000 0.950 756 G HN 0.697 nan 8.290 nan 0.000 0.517 757 T N -4.785 109.720 114.554 -0.083 0.000 3.500 757 T HA -0.026 4.329 4.350 0.009 0.000 0.285 757 T C 1.938 176.656 174.700 0.030 0.000 0.851 757 T CA 1.376 63.496 62.100 0.032 0.000 0.962 757 T CB -0.437 68.435 68.868 0.006 0.000 1.195 757 T HN 0.620 nan 8.240 nan 0.000 0.576 758 T N 0.808 115.293 114.554 -0.115 0.000 3.042 758 T HA 0.408 4.764 4.350 0.009 0.000 0.245 758 T C 0.598 175.018 174.700 -0.468 0.000 1.029 758 T CA 0.253 62.259 62.100 -0.157 0.000 1.120 758 T CB -0.078 68.739 68.868 -0.085 0.000 0.917 758 T HN 0.823 nan 8.240 nan 0.000 0.467 759 K N 0.009 120.083 120.400 -0.543 0.000 2.495 759 K HA 0.791 5.116 4.320 0.009 0.000 0.268 759 K C -1.888 174.347 176.600 -0.608 0.000 1.008 759 K CA -1.148 54.737 56.287 -0.671 0.000 0.882 759 K CB 2.463 34.848 32.500 -0.191 0.000 1.443 759 K HN -0.041 nan 8.250 nan 0.000 0.447 760 V N 1.923 121.578 119.914 -0.432 0.000 2.555 760 V HA 0.579 4.704 4.120 0.009 0.000 0.302 760 V C -1.656 174.294 176.094 -0.239 0.000 1.038 760 V CA -0.681 61.385 62.300 -0.389 0.000 0.887 760 V CB 0.854 32.403 31.823 -0.457 0.000 0.991 760 V HN 0.599 nan 8.190 nan 0.000 0.434 761 F N 6.631 126.167 119.950 -0.690 0.000 2.443 761 F HA 0.710 5.243 4.527 0.010 0.000 0.335 761 F C -0.255 175.150 175.800 -0.659 0.000 1.104 761 F CA -1.751 55.953 58.000 -0.493 0.000 1.013 761 F CB 1.018 39.936 39.000 -0.137 0.000 1.136 761 F HN 0.319 nan 8.300 nan 0.000 0.470 762 F N 0.998 121.134 119.950 0.309 0.000 2.579 762 F HA 0.489 5.022 4.527 0.009 0.000 0.324 762 F C 0.380 176.421 175.800 0.402 0.000 1.058 762 F CA -1.358 56.826 58.000 0.306 0.000 0.944 762 F CB 1.181 40.246 39.000 0.109 0.000 1.245 762 F HN 0.125 nan 8.300 nan 0.000 0.477 763 K N 1.337 122.089 120.400 0.587 0.000 2.382 763 K HA 0.356 4.681 4.320 0.009 0.000 0.275 763 K C -0.092 176.601 176.600 0.155 0.000 1.009 763 K CA -0.190 56.289 56.287 0.320 0.000 0.970 763 K CB 0.824 33.472 32.500 0.247 0.000 0.934 763 K HN 0.790 nan 8.250 nan 0.000 0.479 764 A N 1.280 124.127 122.820 0.045 0.000 2.566 764 A HA 0.312 4.637 4.320 0.009 0.000 0.245 764 A C 1.299 178.855 177.584 -0.046 0.000 1.056 764 A CA 1.156 53.175 52.037 -0.030 0.000 0.757 764 A CB -0.719 18.248 19.000 -0.056 0.000 0.979 764 A HN 0.919 nan 8.150 nan 0.000 0.508 765 G N 1.224 109.909 108.800 -0.192 0.000 2.213 765 G HA2 -0.243 3.722 3.960 0.009 0.000 0.226 765 G HA3 -0.243 3.722 3.960 0.009 0.000 0.226 765 G C 0.940 175.694 174.900 -0.245 0.000 0.992 765 G CA 0.490 45.368 45.100 -0.370 0.000 0.632 765 G HN 1.137 nan 8.290 nan 0.000 0.511 766 V N 1.068 120.927 119.914 -0.092 0.000 2.223 766 V HA -0.132 3.993 4.120 0.009 0.000 0.244 766 V C 2.802 178.796 176.094 -0.166 0.000 1.045 766 V CA 2.276 64.544 62.300 -0.054 0.000 1.000 766 V CB -0.605 31.261 31.823 0.072 0.000 0.635 766 V HN 0.332 nan 8.190 nan 0.000 0.445 767 L N 1.094 122.203 121.223 -0.190 0.000 2.089 767 L HA -0.186 4.160 4.340 0.009 0.000 0.213 767 L C 2.525 179.352 176.870 -0.073 0.000 1.079 767 L CA 2.299 57.035 54.840 -0.174 0.000 0.758 767 L CB -1.886 40.206 42.059 0.055 0.000 0.891 767 L HN 0.415 nan 8.230 nan 0.000 0.433 768 G N -0.819 107.901 108.800 -0.134 0.000 2.553 768 G HA2 -0.384 3.582 3.960 0.009 0.000 0.218 768 G HA3 -0.384 3.582 3.960 0.009 0.000 0.218 768 G C 1.486 176.431 174.900 0.075 0.000 1.195 768 G CA 1.306 46.368 45.100 -0.064 0.000 0.779 768 G HN 0.538 nan 8.290 nan 0.000 0.577 769 N N -0.002 118.712 118.700 0.024 0.000 2.006 769 N HA -0.095 4.651 4.740 0.009 0.000 0.196 769 N C 2.179 177.690 175.510 0.001 0.000 1.057 769 N CA 0.987 54.064 53.050 0.045 0.000 0.853 769 N CB -0.250 38.246 38.487 0.016 0.000 1.051 769 N HN 0.053 nan 8.380 nan 0.000 0.423 770 L N 1.810 122.954 121.223 -0.132 0.000 2.058 770 L HA -0.274 4.072 4.340 0.009 0.000 0.226 770 L C 2.342 179.255 176.870 0.071 0.000 1.089 770 L CA 1.864 56.551 54.840 -0.255 0.000 0.799 770 L CB -1.366 40.187 42.059 -0.843 0.000 0.900 770 L HN 0.334 nan 8.230 nan 0.000 0.442 771 E N -0.175 120.120 120.200 0.157 0.000 2.002 771 E HA -0.223 4.133 4.350 0.009 0.000 0.205 771 E C 1.969 178.668 176.600 0.165 0.000 1.020 771 E CA 0.858 57.394 56.400 0.227 0.000 0.856 771 E CB -0.341 29.441 29.700 0.136 0.000 0.788 771 E HN 0.343 nan 8.360 nan 0.000 0.477 772 E N 0.228 120.527 120.200 0.165 0.000 2.200 772 E HA -0.258 4.097 4.350 0.009 0.000 0.211 772 E C 2.126 178.789 176.600 0.105 0.000 1.048 772 E CA 1.485 57.976 56.400 0.153 0.000 0.851 772 E CB -0.340 29.459 29.700 0.164 0.000 0.747 772 E HN 0.324 nan 8.360 nan 0.000 0.462 773 M N -0.544 119.111 119.600 0.093 0.000 2.059 773 M HA -0.196 4.290 4.480 0.009 0.000 0.259 773 M C 2.547 178.892 176.300 0.074 0.000 1.072 773 M CA 1.555 56.897 55.300 0.070 0.000 1.117 773 M CB -0.509 32.122 32.600 0.051 0.000 1.320 773 M HN 0.048 nan 8.290 nan 0.000 0.408 774 R N 0.742 121.308 120.500 0.109 0.000 2.136 774 R HA -0.257 4.089 4.340 0.009 0.000 0.242 774 R C 1.930 178.247 176.300 0.028 0.000 1.131 774 R CA 2.400 58.537 56.100 0.061 0.000 0.937 774 R CB -0.666 29.659 30.300 0.042 0.000 0.863 774 R HN 0.356 nan 8.270 nan 0.000 0.435 775 D N -0.093 120.333 120.400 0.042 0.000 2.218 775 D HA -0.216 4.429 4.640 0.009 0.000 0.194 775 D C 1.540 177.858 176.300 0.031 0.000 1.007 775 D CA 2.005 56.027 54.000 0.037 0.000 0.879 775 D CB 0.050 40.894 40.800 0.073 0.000 0.918 775 D HN 0.603 nan 8.370 nan 0.000 0.449 776 E N -0.471 119.751 120.200 0.036 0.000 2.127 776 E HA -0.003 4.353 4.350 0.009 0.000 0.191 776 E C 2.300 178.914 176.600 0.023 0.000 0.964 776 E CA -0.250 56.168 56.400 0.029 0.000 0.832 776 E CB -0.140 29.579 29.700 0.032 0.000 0.790 776 E HN 0.070 nan 8.360 nan 0.000 0.465 777 R N 1.023 121.537 120.500 0.023 0.000 2.080 777 R HA -0.121 4.224 4.340 0.009 0.000 0.236 777 R C 2.480 178.786 176.300 0.009 0.000 1.137 777 R CA 0.868 56.978 56.100 0.017 0.000 0.943 777 R CB -1.056 29.254 30.300 0.016 0.000 0.846 777 R HN 0.190 nan 8.270 nan 0.000 0.431 778 L N 0.893 122.115 121.223 -0.003 0.000 1.956 778 L HA -0.215 4.131 4.340 0.009 0.000 0.216 778 L C 2.396 179.266 176.870 0.001 0.000 1.073 778 L CA 2.098 56.929 54.840 -0.016 0.000 0.762 778 L CB -1.185 40.854 42.059 -0.033 0.000 0.889 778 L HN 0.109 nan 8.230 nan 0.000 0.433 779 S N -1.185 114.518 115.700 0.005 0.000 2.390 779 S HA -0.330 4.145 4.470 0.009 0.000 0.234 779 S C 2.036 176.651 174.600 0.025 0.000 1.063 779 S CA 2.085 60.293 58.200 0.014 0.000 1.108 779 S CB -0.281 62.928 63.200 0.016 0.000 0.975 779 S HN 0.381 nan 8.310 nan 0.000 0.442 780 K N 0.902 121.317 120.400 0.026 0.000 1.967 780 K HA 0.159 4.485 4.320 0.009 0.000 0.212 780 K C 1.932 178.561 176.600 0.049 0.000 1.044 780 K CA 1.493 57.801 56.287 0.034 0.000 0.942 780 K CB -0.959 31.559 32.500 0.030 0.000 0.726 780 K HN 0.391 nan 8.250 nan 0.000 0.440 781 I N 0.765 121.361 120.570 0.044 0.000 2.231 781 I HA -0.398 3.778 4.170 0.009 0.000 0.251 781 I C 2.144 178.318 176.117 0.096 0.000 1.076 781 I CA 1.444 62.779 61.300 0.059 0.000 1.347 781 I CB -0.387 37.628 38.000 0.025 0.000 1.038 781 I HN 0.192 nan 8.210 nan 0.000 0.429 782 I N -0.319 120.295 120.570 0.073 0.000 2.163 782 I HA -0.283 3.893 4.170 0.009 0.000 0.240 782 I C 2.671 178.881 176.117 0.156 0.000 1.081 782 I CA 1.411 62.778 61.300 0.110 0.000 1.353 782 I CB -0.229 37.806 38.000 0.058 0.000 1.054 782 I HN 0.137 nan 8.210 nan 0.000 0.407 783 S N 0.369 116.126 115.700 0.095 0.000 2.374 783 S HA -0.235 4.240 4.470 0.009 0.000 0.227 783 S C 2.013 176.663 174.600 0.084 0.000 1.037 783 S CA 1.570 59.815 58.200 0.075 0.000 1.024 783 S CB -0.238 62.990 63.200 0.047 0.000 0.861 783 S HN 0.302 nan 8.310 nan 0.000 0.456 784 M N -0.416 119.245 119.600 0.103 0.000 2.080 784 M HA -0.130 4.355 4.480 0.009 0.000 0.260 784 M C 1.960 178.353 176.300 0.156 0.000 1.068 784 M CA 1.629 56.995 55.300 0.110 0.000 1.109 784 M CB -0.469 32.204 32.600 0.121 0.000 1.342 784 M HN 0.333 nan 8.290 nan 0.000 0.405 785 F N 1.244 121.232 119.950 0.063 0.000 2.126 785 F HA -0.279 4.254 4.527 0.009 0.000 0.299 785 F C 2.382 178.217 175.800 0.057 0.000 1.096 785 F CA 1.829 59.861 58.000 0.053 0.000 1.255 785 F CB -0.333 38.666 39.000 -0.001 0.000 0.997 785 F HN 0.186 nan 8.300 nan 0.000 0.479 786 Q N -0.264 119.567 119.800 0.051 0.000 2.016 786 Q HA -0.114 4.232 4.340 0.009 0.000 0.200 786 Q C 2.121 178.081 176.000 -0.066 0.000 0.978 786 Q CA 1.390 57.176 55.803 -0.028 0.000 0.833 786 Q CB -0.558 28.202 28.738 0.038 0.000 0.895 786 Q HN 0.436 nan 8.270 nan 0.000 0.427 787 A N -0.270 122.540 122.820 -0.017 0.000 2.258 787 A HA -0.127 4.198 4.320 0.009 0.000 0.206 787 A C 1.058 178.624 177.584 -0.031 0.000 1.222 787 A CA 0.767 52.790 52.037 -0.024 0.000 0.822 787 A CB -0.584 18.408 19.000 -0.014 0.000 0.804 787 A HN 0.436 nan 8.150 nan 0.000 0.483 788 H N -1.950 117.014 119.070 -0.178 0.000 2.827 788 H HA 0.377 4.939 4.556 0.009 0.000 0.269 788 H C 1.500 176.704 175.328 -0.208 0.000 1.031 788 H CA 0.078 56.017 56.048 -0.182 0.000 1.202 788 H CB 0.288 29.913 29.762 -0.229 0.000 1.511 788 H HN 0.441 nan 8.280 nan 0.000 0.517 789 I N -0.169 120.328 120.570 -0.121 0.000 2.494 789 I HA -0.086 4.089 4.170 0.009 0.000 0.250 789 I C 2.088 178.190 176.117 -0.025 0.000 1.112 789 I CA 0.426 61.628 61.300 -0.163 0.000 1.438 789 I CB -0.016 37.839 38.000 -0.241 0.000 1.111 789 I HN 0.177 nan 8.210 nan 0.000 0.431 790 R N 0.864 121.350 120.500 -0.024 0.000 2.152 790 R HA -0.096 4.250 4.340 0.009 0.000 0.232 790 R C 2.213 178.529 176.300 0.026 0.000 1.117 790 R CA 1.387 57.488 56.100 0.001 0.000 0.981 790 R CB -0.514 29.779 30.300 -0.013 0.000 0.870 790 R HN 0.424 nan 8.270 nan 0.000 0.451 791 G N 0.350 109.166 108.800 0.026 0.000 2.454 791 G HA2 -0.317 3.649 3.960 0.009 0.000 0.214 791 G HA3 -0.317 3.649 3.960 0.009 0.000 0.214 791 G C 1.175 176.126 174.900 0.084 0.000 1.217 791 G CA 0.489 45.599 45.100 0.017 0.000 0.799 791 G HN 0.251 nan 8.290 nan 0.000 0.538 792 Y N 1.505 121.799 120.300 -0.010 0.000 1.977 792 Y HA -0.269 4.287 4.550 0.009 0.000 0.264 792 Y C 2.755 178.651 175.900 -0.008 0.000 1.167 792 Y CA 2.025 60.122 58.100 -0.004 0.000 1.102 792 Y CB -0.835 37.618 38.460 -0.011 0.000 0.948 792 Y HN 0.112 nan 8.280 nan 0.000 0.489 793 L N -0.380 121.085 121.223 0.403 0.000 2.113 793 L HA -0.356 3.990 4.340 0.009 0.000 0.221 793 L C 2.575 179.523 176.870 0.130 0.000 1.084 793 L CA 2.152 57.138 54.840 0.244 0.000 0.787 793 L CB -0.703 41.423 42.059 0.112 0.000 0.893 793 L HN 0.402 nan 8.230 nan 0.000 0.440 794 I N -1.449 119.172 120.570 0.086 0.000 2.480 794 I HA -0.169 4.007 4.170 0.009 0.000 0.251 794 I C 2.603 178.746 176.117 0.043 0.000 1.124 794 I CA 0.469 61.805 61.300 0.059 0.000 1.444 794 I CB -0.015 38.012 38.000 0.045 0.000 1.098 794 I HN 0.102 nan 8.210 nan 0.000 0.428 795 R N 0.952 121.443 120.500 -0.014 0.000 2.159 795 R HA -0.215 4.131 4.340 0.009 0.000 0.237 795 R C 2.085 178.359 176.300 -0.043 0.000 1.131 795 R CA 1.169 57.227 56.100 -0.070 0.000 0.982 795 R CB -0.133 30.083 30.300 -0.139 0.000 0.868 795 R HN 0.056 nan 8.270 nan 0.000 0.453 796 K N 0.378 120.745 120.400 -0.055 0.000 1.965 796 K HA -0.020 4.305 4.320 0.009 0.000 0.214 796 K C 1.715 178.335 176.600 0.033 0.000 1.046 796 K CA 2.093 58.355 56.287 -0.042 0.000 0.944 796 K CB -0.785 31.713 32.500 -0.003 0.000 0.726 796 K HN 0.094 nan 8.250 nan 0.000 0.441 797 A N -0.294 122.560 122.820 0.056 0.000 2.070 797 A HA -0.139 4.187 4.320 0.009 0.000 0.220 797 A C 1.999 179.626 177.584 0.072 0.000 1.159 797 A CA 1.530 53.599 52.037 0.053 0.000 0.656 797 A CB -0.972 18.054 19.000 0.044 0.000 0.800 797 A HN 0.533 nan 8.150 nan 0.000 0.453 798 Y N 1.136 121.421 120.300 -0.025 0.000 1.875 798 Y HA -0.441 4.114 4.550 0.009 0.000 0.228 798 Y C 2.403 178.289 175.900 -0.023 0.000 1.151 798 Y CA 2.960 61.045 58.100 -0.025 0.000 1.033 798 Y CB -0.652 37.789 38.460 -0.032 0.000 0.862 798 Y HN 0.326 nan 8.280 nan 0.000 0.518 799 K N 0.818 121.239 120.400 0.036 0.000 2.034 799 K HA -0.284 4.041 4.320 0.009 0.000 0.214 799 K C 2.223 178.756 176.600 -0.112 0.000 1.051 799 K CA 2.495 58.732 56.287 -0.084 0.000 0.931 799 K CB -0.694 31.819 32.500 0.021 0.000 0.715 799 K HN 0.435 nan 8.250 nan 0.000 0.446 800 K N -0.312 120.056 120.400 -0.052 0.000 2.228 800 K HA -0.175 4.151 4.320 0.009 0.000 0.205 800 K C 1.870 178.421 176.600 -0.081 0.000 1.045 800 K CA 1.462 57.719 56.287 -0.050 0.000 0.931 800 K CB -0.193 32.293 32.500 -0.023 0.000 0.727 800 K HN 0.229 nan 8.250 nan 0.000 0.458 801 L N 0.983 122.133 121.223 -0.122 0.000 2.240 801 L HA -0.058 4.287 4.340 0.009 0.000 0.211 801 L C 2.017 178.762 176.870 -0.208 0.000 1.106 801 L CA 1.454 56.204 54.840 -0.150 0.000 0.793 801 L CB -0.156 41.810 42.059 -0.154 0.000 0.927 801 L HN 0.190 nan 8.230 nan 0.000 0.446 802 Q N -0.961 118.667 119.800 -0.288 0.000 2.163 802 Q HA -0.132 4.214 4.340 0.009 0.000 0.198 802 Q C 1.550 177.463 176.000 -0.145 0.000 0.954 802 Q CA 1.289 56.935 55.803 -0.261 0.000 0.851 802 Q CB 0.166 28.712 28.738 -0.320 0.000 0.928 802 Q HN 0.516 nan 8.270 nan 0.000 0.459 803 D N 0.754 121.085 120.400 -0.116 0.000 2.084 803 D HA -0.178 4.468 4.640 0.009 0.000 0.194 803 D C 1.787 178.046 176.300 -0.068 0.000 0.990 803 D CA 1.118 55.073 54.000 -0.075 0.000 0.826 803 D CB -0.181 40.585 40.800 -0.057 0.000 0.971 803 D HN 0.258 nan 8.370 nan 0.000 0.453 804 Q N 0.283 120.040 119.800 -0.071 0.000 2.248 804 Q HA -0.207 4.139 4.340 0.009 0.000 0.208 804 Q C 2.186 178.153 176.000 -0.056 0.000 0.984 804 Q CA 0.989 56.758 55.803 -0.058 0.000 0.875 804 Q CB -0.028 28.677 28.738 -0.055 0.000 0.910 804 Q HN 0.234 nan 8.270 nan 0.000 0.433 805 R N 1.009 121.468 120.500 -0.069 0.000 2.075 805 R HA -0.138 4.207 4.340 0.009 0.000 0.230 805 R C 2.111 178.384 176.300 -0.045 0.000 1.140 805 R CA 1.494 57.559 56.100 -0.058 0.000 0.928 805 R CB -0.326 29.933 30.300 -0.068 0.000 0.834 805 R HN 0.196 nan 8.270 nan 0.000 0.429 806 I N 0.651 121.194 120.570 -0.046 0.000 2.597 806 I HA -0.241 3.935 4.170 0.009 0.000 0.262 806 I C 2.140 178.237 176.117 -0.033 0.000 1.194 806 I CA 1.356 62.634 61.300 -0.037 0.000 1.437 806 I CB -0.501 37.477 38.000 -0.036 0.000 1.096 806 I HN 0.542 nan 8.210 nan 0.000 0.451 807 G N 0.602 109.381 108.800 -0.036 0.000 2.437 807 G HA2 -0.144 3.821 3.960 0.009 0.000 0.212 807 G HA3 -0.144 3.821 3.960 0.009 0.000 0.212 807 G C 1.488 176.370 174.900 -0.030 0.000 1.174 807 G CA -0.061 45.020 45.100 -0.033 0.000 0.811 807 G HN 0.216 nan 8.290 nan 0.000 0.537 808 L N 2.135 123.340 121.223 -0.030 0.000 2.191 808 L HA -0.036 4.309 4.340 0.009 0.000 0.212 808 L C 2.881 179.738 176.870 -0.021 0.000 1.103 808 L CA 2.113 56.938 54.840 -0.025 0.000 0.769 808 L CB -0.397 41.648 42.059 -0.024 0.000 0.908 808 L HN 0.285 nan 8.230 nan 0.000 0.438 809 S N -2.142 113.544 115.700 -0.023 0.000 2.371 809 S HA -0.103 4.372 4.470 0.009 0.000 0.224 809 S C 1.980 176.570 174.600 -0.018 0.000 1.029 809 S CA 1.114 59.303 58.200 -0.019 0.000 0.978 809 S CB -0.823 62.364 63.200 -0.021 0.000 0.833 809 S HN 0.252 nan 8.310 nan 0.000 0.466 810 V N 2.417 122.318 119.914 -0.021 0.000 2.358 810 V HA -0.109 4.017 4.120 0.009 0.000 0.246 810 V C 2.305 178.386 176.094 -0.022 0.000 1.047 810 V CA 1.438 63.725 62.300 -0.021 0.000 1.035 810 V CB -0.688 31.120 31.823 -0.025 0.000 0.658 810 V HN 0.443 nan 8.190 nan 0.000 0.452 811 I N -0.481 120.073 120.570 -0.025 0.000 2.142 811 I HA -0.324 3.852 4.170 0.009 0.000 0.240 811 I C 2.694 178.803 176.117 -0.013 0.000 1.078 811 I CA 1.744 63.028 61.300 -0.028 0.000 1.343 811 I CB -0.422 37.560 38.000 -0.031 0.000 1.046 811 I HN 0.378 nan 8.210 nan 0.000 0.405 812 Q N -0.039 119.756 119.800 -0.008 0.000 2.170 812 Q HA -0.242 4.103 4.340 0.009 0.000 0.203 812 Q C 2.323 178.328 176.000 0.008 0.000 0.976 812 Q CA 1.370 57.175 55.803 0.002 0.000 0.858 812 Q CB -0.103 28.633 28.738 -0.003 0.000 0.907 812 Q HN 0.401 nan 8.270 nan 0.000 0.433 813 R N 0.421 120.921 120.500 0.001 0.000 2.064 813 R HA -0.108 4.238 4.340 0.009 0.000 0.228 813 R C 1.764 178.072 176.300 0.014 0.000 1.144 813 R CA 1.570 57.671 56.100 0.002 0.000 0.932 813 R CB 0.033 30.329 30.300 -0.006 0.000 0.833 813 R HN 0.275 nan 8.270 nan 0.000 0.429 814 N N 0.893 119.600 118.700 0.012 0.000 2.142 814 N HA -0.136 4.609 4.740 0.009 0.000 0.186 814 N C 1.894 177.452 175.510 0.080 0.000 1.023 814 N CA 1.100 54.166 53.050 0.028 0.000 0.852 814 N CB -0.273 38.215 38.487 0.001 0.000 0.998 814 N HN 0.304 nan 8.380 nan 0.000 0.424 815 I N 1.075 121.687 120.570 0.070 0.000 2.623 815 I HA -0.227 3.949 4.170 0.009 0.000 0.261 815 I C 2.245 178.511 176.117 0.248 0.000 1.204 815 I CA 0.794 62.197 61.300 0.172 0.000 1.444 815 I CB 0.041 38.103 38.000 0.103 0.000 1.094 815 I HN 0.128 nan 8.210 nan 0.000 0.451 816 R N 0.343 120.914 120.500 0.120 0.000 2.057 816 R HA -0.045 4.301 4.340 0.009 0.000 0.224 816 R C 2.253 178.577 176.300 0.040 0.000 1.136 816 R CA 0.562 56.700 56.100 0.063 0.000 0.968 816 R CB -0.351 29.962 30.300 0.022 0.000 0.863 816 R HN 0.181 nan 8.270 nan 0.000 0.433 817 K N 0.584 121.008 120.400 0.039 0.000 2.001 817 K HA -0.245 4.080 4.320 0.009 0.000 0.223 817 K C 1.777 178.391 176.600 0.024 0.000 1.055 817 K CA 1.762 58.054 56.287 0.008 0.000 0.965 817 K CB -0.949 31.564 32.500 0.022 0.000 0.730 817 K HN 0.293 nan 8.250 nan 0.000 0.449 818 W N 1.661 122.895 121.300 -0.109 0.000 2.304 818 W HA -0.257 4.409 4.660 0.009 0.000 0.315 818 W C 1.892 178.332 176.519 -0.132 0.000 1.233 818 W CA 1.403 58.663 57.345 -0.141 0.000 1.261 818 W CB -0.604 28.785 29.460 -0.119 0.000 1.150 818 W HN 0.103 nan 8.180 nan 0.000 0.494 819 L N 0.163 121.264 121.223 -0.204 0.000 2.187 819 L HA -0.167 4.178 4.340 0.009 0.000 0.213 819 L C 2.332 178.997 176.870 -0.342 0.000 1.100 819 L CA 1.550 56.116 54.840 -0.458 0.000 0.765 819 L CB -1.171 40.785 42.059 -0.172 0.000 0.904 819 L HN 0.015 nan 8.230 nan 0.000 0.437 820 V N -1.077 118.702 119.914 -0.225 0.000 2.273 820 V HA -0.236 3.890 4.120 0.009 0.000 0.242 820 V C 2.335 178.317 176.094 -0.187 0.000 1.035 820 V CA 1.495 63.684 62.300 -0.184 0.000 1.013 820 V CB -0.229 31.489 31.823 -0.175 0.000 0.652 820 V HN 0.314 nan 8.190 nan 0.000 0.452 821 L N -0.268 120.816 121.223 -0.232 0.000 1.989 821 L HA -0.230 4.116 4.340 0.009 0.000 0.211 821 L C 2.650 179.409 176.870 -0.185 0.000 1.071 821 L CA 2.014 56.744 54.840 -0.184 0.000 0.749 821 L CB -0.748 41.061 42.059 -0.416 0.000 0.890 821 L HN 0.221 nan 8.230 nan 0.000 0.431 822 R N 0.033 120.265 120.500 -0.447 0.000 2.293 822 R HA -0.127 4.218 4.340 0.009 0.000 0.219 822 R C 1.773 177.990 176.300 -0.138 0.000 1.091 822 R CA 0.792 56.673 56.100 -0.366 0.000 1.004 822 R CB -0.067 29.880 30.300 -0.589 0.000 0.865 822 R HN 0.395 nan 8.270 nan 0.000 0.469 823 N N -0.789 117.862 118.700 -0.082 0.000 2.282 823 N HA -0.079 4.667 4.740 0.009 0.000 0.185 823 N C -0.698 174.926 175.510 0.189 0.000 1.099 823 N CA -0.032 53.024 53.050 0.010 0.000 0.878 823 N CB 0.185 38.642 38.487 -0.050 0.000 0.993 823 N HN 0.094 nan 8.380 nan 0.000 0.481 824 W N 3.149 124.484 121.300 0.059 0.000 2.308 824 W HA 0.090 4.755 4.660 0.009 0.000 0.324 824 W C 1.461 178.081 176.519 0.169 0.000 1.387 824 W CA -0.146 57.295 57.345 0.159 0.000 1.250 824 W CB 0.666 30.283 29.460 0.263 0.000 1.257 824 W HN 0.023 nan 8.180 nan 0.000 0.554 825 Q N 3.200 123.055 119.800 0.091 0.000 2.170 825 Q HA -0.221 4.125 4.340 0.009 0.000 0.203 825 Q C 1.836 177.631 176.000 -0.342 0.000 0.976 825 Q CA 1.849 57.567 55.803 -0.142 0.000 0.858 825 Q CB -0.408 28.178 28.738 -0.253 0.000 0.907 825 Q HN 0.798 nan 8.270 nan 0.000 0.433 826 W N -0.974 119.916 121.300 -0.683 0.000 2.381 826 W HA -0.162 4.503 4.660 0.009 0.000 0.301 826 W C 1.679 177.967 176.519 -0.385 0.000 1.205 826 W CA 0.267 57.087 57.345 -0.874 0.000 1.285 826 W CB -0.739 27.463 29.460 -2.096 0.000 1.133 826 W HN 0.229 nan 8.180 nan 0.000 0.521 827 W N 1.184 122.569 121.300 0.141 0.000 3.109 827 W HA -0.047 4.618 4.660 0.009 0.000 0.242 827 W C 2.156 178.775 176.519 0.168 0.000 1.318 827 W CA 1.547 59.082 57.345 0.317 0.000 1.491 827 W CB -0.322 29.415 29.460 0.461 0.000 1.120 827 W HN -0.130 nan 8.180 nan 0.000 0.715 828 K N -0.700 119.852 120.400 0.254 0.000 2.308 828 K HA 0.092 4.417 4.320 0.009 0.000 0.197 828 K C 1.331 177.971 176.600 0.067 0.000 1.049 828 K CA 0.693 57.072 56.287 0.154 0.000 0.991 828 K CB -0.474 32.043 32.500 0.029 0.000 0.836 828 K HN 0.296 nan 8.250 nan 0.000 0.500 829 L N -1.077 120.141 121.223 -0.009 0.000 2.049 829 L HA -0.001 4.344 4.340 0.009 0.000 0.203 829 L C 2.636 179.529 176.870 0.039 0.000 1.074 829 L CA 1.218 56.042 54.840 -0.027 0.000 0.749 829 L CB -0.400 41.613 42.059 -0.076 0.000 0.907 829 L HN 0.333 nan 8.230 nan 0.000 0.439 830 Y N 0.584 120.775 120.300 -0.181 0.000 2.053 830 Y HA -0.310 4.245 4.550 0.009 0.000 0.277 830 Y C 2.693 178.495 175.900 -0.163 0.000 1.159 830 Y CA 1.481 59.419 58.100 -0.270 0.000 1.125 830 Y CB -0.828 37.257 38.460 -0.625 0.000 0.969 830 Y HN 0.142 nan 8.280 nan 0.000 0.492 831 A N -0.386 122.499 122.820 0.108 0.000 1.940 831 A HA -0.270 4.056 4.320 0.009 0.000 0.219 831 A C 2.256 179.926 177.584 0.144 0.000 1.176 831 A CA 1.953 54.162 52.037 0.287 0.000 0.631 831 A CB -0.738 18.590 19.000 0.547 0.000 0.814 831 A HN 0.458 nan 8.150 nan 0.000 0.446 832 K N -1.077 119.379 120.400 0.093 0.000 2.000 832 K HA -0.121 4.205 4.320 0.009 0.000 0.218 832 K C -0.117 176.486 176.600 0.006 0.000 1.053 832 K CA 1.785 58.094 56.287 0.037 0.000 0.946 832 K CB -0.192 32.308 32.500 -0.001 0.000 0.723 832 K HN 0.307 nan 8.250 nan 0.000 0.446 833 V N 0.878 120.769 119.914 -0.037 0.000 2.789 833 V HA 0.279 4.405 4.120 0.009 0.000 0.311 833 V C -0.895 175.138 176.094 -0.102 0.000 1.073 833 V CA -0.904 61.362 62.300 -0.057 0.000 0.921 833 V CB 1.982 33.766 31.823 -0.066 0.000 1.009 833 V HN 0.092 nan 8.190 nan 0.000 0.426 834 K N 3.439 123.795 120.400 -0.074 0.000 3.029 834 K HA 0.375 4.700 4.320 0.009 0.000 0.169 834 K C -1.898 174.664 176.600 -0.063 0.000 1.090 834 K CA -0.963 55.271 56.287 -0.089 0.000 0.883 834 K CB 0.601 33.076 32.500 -0.042 0.000 1.080 834 K HN 0.715 nan 8.250 nan 0.000 0.613 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.069 63.100 -0.051 0.000 0.800 835 P CB 0.000 31.666 31.700 -0.056 0.000 0.726