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 1kqg_1_A DATA FIRST_RESID 34 DATA SEQUENCE QARNYKLLRA KEIRNTCTYC SVGCGLLMYS LGDGAKNARE AIYHIEGDPD DATA SEQUENCE HPVSRGALCP KGAGLLDYVN SENRLRYPEY RAPGSDKWQR ISWEEAFSRI DATA SEQUENCE AKLMKADRDA NFIEKNEQGV TVNRWLSTGM LCASGASNET GMLTQKFARS DATA SEQUENCE LGMLAVDNQA RVXHGPTVAS LAPTFGRGAM TNHWVDIKNA NVVMVMGGNA DATA SEQUENCE AEAHPVGFRW AMEAKNNNDA TLIVVDPRFT RTASVADIYA PIRSGTDITF DATA SEQUENCE LSGVLRYLIE NNKINAEYVK HYTNASLLVR DDFAFEDGLF SGYDAEKRQY DATA SEQUENCE DKSSWNYQLD ENGYAKRDET LTHPRCVWNL LKEHVSRYTP DVVENICGTP DATA SEQUENCE KADFLKVCEV LASTSAPDRT TTFLYALGWT QHTVGAQNIR TMAMIQLLLG DATA SEQUENCE NMGMAGGGVN ALRGHSNIQG LTDLGLLSTS LPGYLTLPSE KQVDLQSYLE DATA SEQUENCE ANTPKATLAD QVNYWSNYPK FFVSLMKSFY GDAAQKENNW GYDWLPKWDQ DATA SEQUENCE TYDVIKYFNM MDEGKVTGYF CQGFNPVASF PDKNKVVSCL SKLKYMVVID DATA SEQUENCE PLVTETSTFW QNHGESNDVD PASIQTEVFR LPSTCFAEED GSIANSGRWL DATA SEQUENCE QWHWKGQDAP GEARNDGEIL AGIYHHLREL YQSEGGKGVE PLMKMSWNYK DATA SEQUENCE QPHEPQSDEV AKENNGYALE DLYDANGVLI AKKGQLLSSF AHLRDDGTTA DATA SEQUENCE SSCWIYTGSW TEQGNQMANR DNSDPSGLGN TLGWAWAWPL NRRVLYNRAS DATA SEQUENCE ADINGKPWDP KRMLIQWNGS KWTGNDIPDF GNAAPGTPTG PFIMQPEGMG DATA SEQUENCE RLFAINKMAE GPFPEHYEPI ETPLGTNPLH PNVVSNPVVR LYEQDALRMG DATA SEQUENCE KKEQFPYVGT TYRLTEHFHT WTKHALLNAI AQPEQFVEIS ETLAAAKGIN DATA SEQUENCE NGDRVTVSSK RGFIRAVAVV TRRLKPLNVN GQQVETVGIP IHWGFEGVAR DATA SEQUENCE KGYIANTLTP NVGDANSQTP EYKAFLVNIE KA 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 34 Q HA 0.000 nan 4.340 nan 0.000 0.214 34 Q C 0.000 176.004 176.000 0.006 0.000 1.003 34 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 34 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 35 A N 1.202 124.027 122.820 0.008 0.000 2.536 35 A HA 0.245 4.565 4.320 -0.000 0.000 0.234 35 A C 0.317 177.907 177.584 0.010 0.000 1.076 35 A CA 0.487 52.530 52.037 0.009 0.000 0.769 35 A CB -0.068 18.942 19.000 0.017 0.000 1.020 35 A HN 0.703 nan 8.150 nan 0.000 0.508 36 R N 1.732 122.234 120.500 0.003 0.000 2.734 36 R HA 0.088 4.427 4.340 -0.000 0.000 0.266 36 R C 0.019 176.327 176.300 0.014 0.000 1.044 36 R CA -0.413 55.687 56.100 -0.000 0.000 1.128 36 R CB 0.163 30.454 30.300 -0.016 0.000 1.010 36 R HN 0.689 nan 8.270 nan 0.000 0.461 37 N N 0.819 119.531 118.700 0.019 0.000 2.381 37 N HA -0.112 4.628 4.740 -0.000 0.000 0.241 37 N C -1.153 174.394 175.510 0.062 0.000 1.279 37 N CA -0.135 52.944 53.050 0.049 0.000 0.896 37 N CB 0.234 38.746 38.487 0.041 0.000 1.118 37 N HN 0.559 nan 8.380 nan 0.000 0.438 38 Y N 1.903 122.187 120.300 -0.027 0.000 2.605 38 Y HA -0.024 4.526 4.550 -0.000 0.000 0.336 38 Y C 1.644 177.524 175.900 -0.034 0.000 1.111 38 Y CA 0.273 58.347 58.100 -0.042 0.000 1.422 38 Y CB 0.487 38.921 38.460 -0.044 0.000 1.193 38 Y HN 0.568 nan 8.280 nan 0.000 0.526 39 K N 4.239 124.451 120.400 -0.313 0.000 2.504 39 K HA -0.024 4.296 4.320 -0.000 0.000 0.195 39 K C 0.140 176.732 176.600 -0.013 0.000 1.036 39 K CA 1.326 57.529 56.287 -0.139 0.000 0.984 39 K CB -0.096 32.322 32.500 -0.137 0.000 0.788 39 K HN 0.710 nan 8.250 nan 0.000 0.488 40 L N 0.994 122.152 121.223 -0.109 0.000 2.769 40 L HA 0.203 4.542 4.340 -0.000 0.000 0.240 40 L C 1.439 178.426 176.870 0.196 0.000 1.163 40 L CA -0.338 54.517 54.840 0.025 0.000 0.962 40 L CB -0.013 41.866 42.059 -0.300 0.000 1.258 40 L HN 0.058 nan 8.230 nan 0.000 0.513 41 L N 0.066 121.435 121.223 0.243 0.000 2.127 41 L HA -0.144 4.195 4.340 -0.000 0.000 0.211 41 L C 2.011 178.967 176.870 0.143 0.000 1.089 41 L CA 1.333 56.289 54.840 0.195 0.000 0.757 41 L CB -0.148 42.001 42.059 0.149 0.000 0.899 41 L HN 0.263 nan 8.230 nan 0.000 0.434 42 R N -0.363 120.225 120.500 0.147 0.000 2.659 42 R HA 0.361 4.701 4.340 -0.000 0.000 0.418 42 R C -0.187 176.209 176.300 0.160 0.000 1.076 42 R CA -0.072 56.103 56.100 0.125 0.000 1.093 42 R CB 0.410 30.764 30.300 0.089 0.000 1.400 42 R HN 0.108 nan 8.270 nan 0.000 0.583 43 A N 0.432 123.387 122.820 0.225 0.000 2.287 43 A HA 0.374 4.694 4.320 -0.000 0.000 0.273 43 A C -0.542 177.178 177.584 0.227 0.000 1.091 43 A CA -0.471 51.735 52.037 0.282 0.000 0.817 43 A CB 0.405 19.635 19.000 0.384 0.000 1.069 43 A HN 0.291 nan 8.150 nan 0.000 0.492 44 K N 0.796 121.302 120.400 0.177 0.000 2.297 44 K HA 0.182 4.502 4.320 -0.000 0.000 0.286 44 K C -0.227 176.386 176.600 0.021 0.000 1.053 44 K CA 0.008 56.349 56.287 0.089 0.000 0.940 44 K CB 0.401 32.937 32.500 0.059 0.000 1.019 44 K HN 0.736 nan 8.250 nan 0.000 0.475 45 E N 5.205 125.379 120.200 -0.042 0.000 2.134 45 E HA 0.261 4.611 4.350 -0.000 0.000 0.278 45 E C -1.211 175.257 176.600 -0.220 0.000 0.959 45 E CA -0.730 55.514 56.400 -0.260 0.000 0.783 45 E CB 0.736 30.356 29.700 -0.134 0.000 1.095 45 E HN 0.471 nan 8.360 nan 0.000 0.399 46 I N 3.794 124.205 120.570 -0.264 0.000 2.545 46 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 46 I C -0.142 175.939 176.117 -0.060 0.000 1.040 46 I CA -0.665 60.560 61.300 -0.124 0.000 1.068 46 I CB 1.944 39.912 38.000 -0.055 0.000 1.251 46 I HN 0.407 nan 8.210 nan 0.000 0.424 47 R N 3.928 124.451 120.500 0.038 0.000 2.357 47 R HA 0.489 4.829 4.340 -0.000 0.000 0.296 47 R C -0.286 176.247 176.300 0.388 0.000 1.052 47 R CA -0.426 55.791 56.100 0.194 0.000 0.988 47 R CB 0.680 31.102 30.300 0.202 0.000 1.025 47 R HN 0.584 nan 8.270 nan 0.000 0.469 48 N N -0.018 118.859 118.700 0.294 0.000 3.243 48 N HA 0.350 5.090 4.740 -0.000 0.000 0.280 48 N C -1.530 174.102 175.510 0.203 0.000 1.545 48 N CA -0.435 52.787 53.050 0.286 0.000 0.854 48 N CB 2.532 41.144 38.487 0.207 0.000 1.612 48 N HN 0.374 nan 8.380 nan 0.000 0.577 49 T N 0.333 114.948 114.554 0.103 0.000 2.861 49 T HA 0.288 4.638 4.350 -0.000 0.000 0.287 49 T C -0.110 174.474 174.700 -0.194 0.000 1.003 49 T CA -0.300 61.798 62.100 -0.004 0.000 0.977 49 T CB 1.394 70.294 68.868 0.054 0.000 0.996 49 T HN 0.614 nan 8.240 nan 0.000 0.448 50 C N 2.315 121.452 119.300 -0.272 0.000 2.550 50 C HA 0.075 4.535 4.460 -0.000 0.000 0.406 50 C C 2.244 176.870 174.990 -0.606 0.000 1.366 50 C CA 0.757 59.486 59.018 -0.482 0.000 1.712 50 C CB -0.174 27.345 27.740 -0.368 0.000 2.613 50 C HN 1.064 nan 8.230 nan 0.000 0.608 51 T N 3.059 117.007 114.554 -1.010 0.000 3.081 51 T HA 0.135 4.485 4.350 -0.000 0.000 0.250 51 T C 0.845 175.061 174.700 -0.807 0.000 1.100 51 T CA 1.022 62.607 62.100 -0.858 0.000 1.038 51 T CB -0.191 68.040 68.868 -1.063 0.000 0.962 51 T HN 0.795 nan 8.240 nan 0.000 0.516 52 Y N 1.136 120.911 120.300 -0.874 0.000 2.483 52 Y HA 0.310 4.860 4.550 -0.000 0.000 0.243 52 Y C 2.045 177.362 175.900 -0.972 0.000 1.024 52 Y CA -0.451 56.803 58.100 -1.409 0.000 1.091 52 Y CB -1.098 36.429 38.460 -1.555 0.000 1.034 52 Y HN 0.357 nan 8.280 nan 0.000 0.475 53 C N 0.222 119.280 119.300 -0.404 0.000 2.411 53 C HA 0.450 4.910 4.460 -0.000 0.000 0.358 53 C C 1.916 176.917 174.990 0.018 0.000 1.349 53 C CA -0.023 58.952 59.018 -0.072 0.000 2.326 53 C CB 0.507 28.196 27.740 -0.085 0.000 2.166 53 C HN 0.630 nan 8.230 nan 0.000 0.609 54 S N 0.334 116.153 115.700 0.199 0.000 2.631 54 S HA 0.008 4.478 4.470 -0.000 0.000 0.217 54 S C 1.125 175.882 174.600 0.263 0.000 0.958 54 S CA 0.670 59.028 58.200 0.263 0.000 0.920 54 S CB -0.612 62.811 63.200 0.371 0.000 0.776 54 S HN 0.781 nan 8.310 nan 0.000 0.517 55 V N 1.581 121.476 119.914 -0.032 0.000 2.343 55 V HA 0.074 4.194 4.120 -0.000 0.000 0.247 55 V C 2.102 178.022 176.094 -0.290 0.000 1.051 55 V CA 1.536 63.486 62.300 -0.583 0.000 1.036 55 V CB -1.752 29.575 31.823 -0.826 0.000 0.654 55 V HN 0.867 nan 8.190 nan 0.000 0.451 56 G N -0.911 107.789 108.800 -0.166 0.000 2.204 56 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.244 56 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.244 56 G C 0.061 174.805 174.900 -0.260 0.000 1.062 56 G CA -0.109 44.931 45.100 -0.101 0.000 0.798 56 G HN 0.504 nan 8.290 nan 0.000 0.496 57 C N 0.658 119.750 119.300 -0.346 0.000 2.611 57 C HA 0.507 4.967 4.460 -0.000 0.000 0.416 57 C C 1.746 176.479 174.990 -0.428 0.000 1.366 57 C CA 0.470 59.216 59.018 -0.454 0.000 1.761 57 C CB -0.062 27.496 27.740 -0.303 0.000 2.619 57 C HN 0.982 nan 8.230 nan 0.000 0.606 58 G N 3.477 111.936 108.800 -0.568 0.000 2.432 58 G HA2 0.505 4.465 3.960 -0.000 0.000 0.257 58 G HA3 0.505 4.465 3.960 -0.000 0.000 0.257 58 G C -0.676 174.207 174.900 -0.029 0.000 1.238 58 G CA -0.391 44.631 45.100 -0.129 0.000 0.838 58 G HN 0.719 nan 8.290 nan 0.000 0.547 59 L N 0.834 122.086 121.223 0.049 0.000 2.323 59 L HA 0.577 4.917 4.340 -0.000 0.000 0.265 59 L C -0.350 176.554 176.870 0.056 0.000 1.012 59 L CA -0.898 53.964 54.840 0.036 0.000 0.820 59 L CB 2.272 44.352 42.059 0.035 0.000 1.334 59 L HN 0.231 nan 8.230 nan 0.000 0.427 60 L N 2.821 124.048 121.223 0.007 0.000 2.377 60 L HA 0.515 4.854 4.340 -0.000 0.000 0.270 60 L C -0.759 175.950 176.870 -0.269 0.000 0.991 60 L CA -0.187 54.592 54.840 -0.101 0.000 0.851 60 L CB 1.733 43.807 42.059 0.026 0.000 1.218 60 L HN 0.562 nan 8.230 nan 0.000 0.420 61 M N 3.031 122.402 119.600 -0.381 0.000 2.300 61 M HA 0.433 4.913 4.480 -0.000 0.000 0.348 61 M C -1.426 174.519 176.300 -0.593 0.000 1.151 61 M CA -0.527 54.577 55.300 -0.326 0.000 1.046 61 M CB 1.731 34.236 32.600 -0.158 0.000 1.647 61 M HN 0.264 nan 8.290 nan 0.000 0.451 62 Y N 0.593 120.814 120.300 -0.131 0.000 2.328 62 Y HA 0.412 4.962 4.550 -0.000 0.000 0.337 62 Y C -0.017 175.758 175.900 -0.207 0.000 0.966 62 Y CA -0.504 57.488 58.100 -0.181 0.000 1.136 62 Y CB 1.697 39.986 38.460 -0.285 0.000 1.170 62 Y HN 0.554 nan 8.280 nan 0.000 0.470 63 S N 3.594 119.344 115.700 0.083 0.000 2.501 63 S HA 0.419 4.889 4.470 -0.000 0.000 0.301 63 S C -1.068 173.743 174.600 0.351 0.000 1.096 63 S CA -0.745 57.572 58.200 0.196 0.000 1.063 63 S CB 1.400 64.659 63.200 0.099 0.000 1.042 63 S HN 0.560 nan 8.310 nan 0.000 0.494 64 L N 3.283 124.748 121.223 0.402 0.000 2.369 64 L HA 0.640 4.980 4.340 -0.000 0.000 0.279 64 L C 0.331 177.280 176.870 0.132 0.000 1.108 64 L CA 1.183 56.162 54.840 0.230 0.000 0.852 64 L CB -0.709 41.372 42.059 0.036 0.000 1.169 64 L HN 0.902 nan 8.230 nan 0.000 0.452 65 G N 3.837 112.705 108.800 0.113 0.000 2.653 65 G HA2 0.035 3.995 3.960 -0.000 0.000 0.656 65 G HA3 0.035 3.995 3.960 -0.000 0.000 0.656 65 G C -0.430 174.518 174.900 0.079 0.000 1.419 65 G CA -0.177 44.968 45.100 0.075 0.000 0.862 65 G HN 0.909 nan 8.290 nan 0.000 0.639 66 D N -0.076 120.360 120.400 0.060 0.000 2.336 66 D HA 0.416 5.056 4.640 -0.000 0.000 0.228 66 D C 1.773 178.099 176.300 0.042 0.000 1.120 66 D CA 0.691 54.724 54.000 0.055 0.000 0.839 66 D CB 0.101 40.929 40.800 0.047 0.000 0.932 66 D HN 2.054 nan 8.370 nan 0.000 0.509 67 G N -0.555 108.270 108.800 0.041 0.000 2.217 67 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.246 67 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.246 67 G C 0.635 175.553 174.900 0.031 0.000 0.990 67 G CA 0.019 45.139 45.100 0.034 0.000 0.627 67 G HN 0.838 nan 8.290 nan 0.000 0.522 68 A N 0.320 123.158 122.820 0.030 0.000 2.507 68 A HA 0.537 4.857 4.320 -0.000 0.000 0.235 68 A C 1.430 179.030 177.584 0.027 0.000 1.070 68 A CA 1.589 53.642 52.037 0.026 0.000 0.768 68 A CB 0.207 19.223 19.000 0.025 0.000 1.011 68 A HN 0.737 nan 8.150 nan 0.000 0.502 69 K N 0.585 121.000 120.400 0.025 0.000 2.211 69 K HA -0.132 4.188 4.320 -0.000 0.000 0.203 69 K C 0.744 177.359 176.600 0.025 0.000 1.050 69 K CA 1.760 58.062 56.287 0.025 0.000 0.945 69 K CB -0.084 32.431 32.500 0.024 0.000 0.732 69 K HN 0.739 nan 8.250 nan 0.000 0.451 70 N N 0.302 119.016 118.700 0.023 0.000 2.463 70 N HA 0.015 4.755 4.740 -0.000 0.000 0.181 70 N C -0.414 175.110 175.510 0.023 0.000 1.078 70 N CA 0.573 53.636 53.050 0.022 0.000 0.902 70 N CB 0.505 39.004 38.487 0.020 0.000 0.970 70 N HN 0.164 nan 8.380 nan 0.000 0.451 71 A N 0.778 123.613 122.820 0.025 0.000 2.260 71 A HA 0.389 4.708 4.320 -0.000 0.000 0.314 71 A C 0.178 177.780 177.584 0.029 0.000 1.257 71 A CA -0.635 51.418 52.037 0.027 0.000 0.871 71 A CB 0.648 19.666 19.000 0.029 0.000 1.166 71 A HN 0.102 nan 8.150 nan 0.000 0.522 72 R N 3.020 123.537 120.500 0.028 0.000 2.220 72 R HA 0.211 4.551 4.340 -0.000 0.000 0.340 72 R C -0.670 175.650 176.300 0.033 0.000 1.076 72 R CA -0.246 55.872 56.100 0.029 0.000 0.920 72 R CB 0.106 30.422 30.300 0.027 0.000 1.062 72 R HN 0.801 nan 8.270 nan 0.000 0.469 73 E N 2.050 122.272 120.200 0.037 0.000 2.534 73 E HA 0.055 4.405 4.350 -0.000 0.000 0.264 73 E C -0.751 175.878 176.600 0.047 0.000 0.981 73 E CA 0.970 57.399 56.400 0.048 0.000 0.948 73 E CB 0.816 30.540 29.700 0.039 0.000 0.934 73 E HN 0.639 nan 8.360 nan 0.000 0.459 74 A N 3.507 126.375 122.820 0.080 0.000 2.414 74 A HA 0.411 4.731 4.320 -0.000 0.000 0.286 74 A C -0.634 177.037 177.584 0.144 0.000 1.073 74 A CA -0.722 51.364 52.037 0.082 0.000 0.727 74 A CB 0.575 19.618 19.000 0.072 0.000 1.215 74 A HN 0.562 nan 8.150 nan 0.000 0.430 75 I N 3.119 123.740 120.570 0.085 0.000 2.598 75 I HA 0.045 4.215 4.170 -0.000 0.000 0.284 75 I C 0.740 176.962 176.117 0.173 0.000 1.140 75 I CA 0.580 61.929 61.300 0.082 0.000 1.420 75 I CB 0.412 38.400 38.000 -0.020 0.000 1.387 75 I HN 0.870 nan 8.210 nan 0.000 0.553 76 Y N 4.146 124.505 120.300 0.097 0.000 2.527 76 Y HA 0.442 4.992 4.550 -0.000 0.000 0.247 76 Y C 0.099 176.109 175.900 0.182 0.000 1.138 76 Y CA -0.707 57.456 58.100 0.105 0.000 1.228 76 Y CB 0.115 38.621 38.460 0.078 0.000 1.252 76 Y HN 0.604 nan 8.280 nan 0.000 0.531 77 H N 0.179 119.124 119.070 -0.207 0.000 3.079 77 H HA 0.681 5.237 4.556 -0.000 0.000 0.356 77 H C -2.191 173.155 175.328 0.029 0.000 1.221 77 H CA -1.314 54.668 56.048 -0.110 0.000 1.185 77 H CB 1.599 31.219 29.762 -0.237 0.000 1.882 77 H HN 0.167 nan 8.280 nan 0.000 0.543 78 I N 4.079 124.273 120.570 -0.627 0.000 2.607 78 I HA 0.332 4.502 4.170 -0.000 0.000 0.290 78 I C -0.850 174.940 176.117 -0.546 0.000 1.129 78 I CA -0.494 60.578 61.300 -0.380 0.000 1.042 78 I CB 2.127 40.048 38.000 -0.130 0.000 1.242 78 I HN 0.753 nan 8.210 nan 0.000 0.421 79 E N 4.157 124.206 120.200 -0.252 0.000 2.446 79 E HA 0.715 5.065 4.350 -0.000 0.000 0.267 79 E C -0.479 176.122 176.600 0.002 0.000 0.955 79 E CA -1.122 55.221 56.400 -0.095 0.000 0.842 79 E CB 1.408 31.133 29.700 0.042 0.000 1.504 79 E HN 0.490 nan 8.360 nan 0.000 0.438 80 G N -0.194 108.620 108.800 0.023 0.000 2.537 80 G HA2 0.221 4.181 3.960 -0.000 0.000 0.273 80 G HA3 0.221 4.181 3.960 -0.000 0.000 0.273 80 G C -0.857 174.087 174.900 0.074 0.000 1.189 80 G CA -0.296 44.817 45.100 0.022 0.000 0.881 80 G HN 0.447 nan 8.290 nan 0.000 0.535 81 D N 0.886 121.337 120.400 0.085 0.000 2.359 81 D HA 0.251 4.891 4.640 -0.000 0.000 0.230 81 D C -1.059 175.320 176.300 0.132 0.000 1.118 81 D CA -2.254 51.831 54.000 0.141 0.000 0.844 81 D CB 1.936 42.865 40.800 0.215 0.000 1.059 81 D HN 0.026 nan 8.370 nan 0.000 0.493 82 P HA -0.094 nan 4.420 nan 0.000 0.220 82 P C 0.379 177.727 177.300 0.080 0.000 1.148 82 P CA 0.733 63.885 63.100 0.087 0.000 0.803 82 P CB 0.597 32.345 31.700 0.080 0.000 0.782 83 D N -1.892 118.574 120.400 0.110 0.000 2.347 83 D HA -0.051 4.588 4.640 -0.000 0.000 0.213 83 D C 0.691 176.885 176.300 -0.177 0.000 0.985 83 D CA 0.357 54.403 54.000 0.077 0.000 0.879 83 D CB -0.898 40.043 40.800 0.234 0.000 0.919 83 D HN 0.352 nan 8.370 nan 0.000 0.526 84 H N 1.113 120.038 119.070 -0.242 0.000 2.929 84 H HA 0.030 4.586 4.556 -0.000 0.000 0.317 84 H C -1.473 173.562 175.328 -0.488 0.000 1.031 84 H CA -1.040 54.652 56.048 -0.594 0.000 1.466 84 H CB 1.457 31.121 29.762 -0.163 0.000 1.482 84 H HN -0.171 nan 8.280 nan 0.000 0.561 85 P HA -0.154 nan 4.420 nan 0.000 0.219 85 P C 1.177 178.474 177.300 -0.006 0.000 1.150 85 P CA 0.699 63.588 63.100 -0.352 0.000 0.814 85 P CB 0.358 31.844 31.700 -0.357 0.000 0.787 86 V N 0.297 120.292 119.914 0.136 0.000 2.346 86 V HA -0.137 3.983 4.120 -0.000 0.000 0.244 86 V C 2.480 178.807 176.094 0.388 0.000 1.037 86 V CA 2.451 64.922 62.300 0.285 0.000 1.029 86 V CB -1.425 30.464 31.823 0.109 0.000 0.663 86 V HN 0.251 nan 8.190 nan 0.000 0.454 87 S N -1.440 114.408 115.700 0.247 0.000 2.470 87 S HA 0.025 4.495 4.470 -0.000 0.000 0.222 87 S C 1.063 175.696 174.600 0.055 0.000 1.024 87 S CA -0.224 58.002 58.200 0.043 0.000 0.931 87 S CB -0.008 63.112 63.200 -0.133 0.000 0.791 87 S HN 0.412 nan 8.310 nan 0.000 0.513 88 R N 1.156 121.722 120.500 0.109 0.000 3.416 88 R HA -0.181 4.159 4.340 -0.000 0.000 0.263 88 R C 1.186 177.507 176.300 0.036 0.000 1.053 88 R CA 0.807 56.952 56.100 0.075 0.000 0.705 88 R CB -2.683 27.679 30.300 0.102 0.000 1.124 88 R HN 1.215 nan 8.270 nan 0.000 0.444 89 G N -2.312 106.509 108.800 0.034 0.000 2.241 89 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.244 89 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.244 89 G C 0.344 175.236 174.900 -0.013 0.000 0.998 89 G CA 0.475 45.589 45.100 0.022 0.000 0.621 89 G HN 1.001 nan 8.290 nan 0.000 0.519 90 A N 0.131 122.924 122.820 -0.045 0.000 2.351 90 A HA 0.802 5.122 4.320 -0.000 0.000 0.257 90 A C -0.011 177.516 177.584 -0.095 0.000 1.087 90 A CA 0.309 52.301 52.037 -0.075 0.000 0.798 90 A CB 0.569 19.503 19.000 -0.109 0.000 1.033 90 A HN 1.057 nan 8.150 nan 0.000 0.488 91 L N 1.625 122.790 121.223 -0.097 0.000 2.526 91 L HA 0.292 4.632 4.340 -0.000 0.000 0.263 91 L C 0.190 176.990 176.870 -0.117 0.000 0.943 91 L CA -0.939 53.832 54.840 -0.114 0.000 0.859 91 L CB 1.721 43.722 42.059 -0.096 0.000 1.313 91 L HN 1.124 nan 8.230 nan 0.000 0.406 92 C N 1.536 120.751 119.300 -0.142 0.000 2.711 92 C HA 0.374 4.833 4.460 -0.000 0.000 0.306 92 C C -0.709 174.191 174.990 -0.150 0.000 1.479 92 C CA -0.845 58.086 59.018 -0.146 0.000 2.271 92 C CB 0.411 28.048 27.740 -0.172 0.000 2.155 92 C HN 0.744 nan 8.230 nan 0.000 0.674 93 P HA -0.085 nan 4.420 nan 0.000 0.222 93 P C 1.066 178.244 177.300 -0.205 0.000 1.147 93 P CA 1.716 64.713 63.100 -0.171 0.000 0.790 93 P CB -0.069 31.517 31.700 -0.192 0.000 0.780 94 K N -0.045 120.194 120.400 -0.269 0.000 2.021 94 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 94 K C 2.589 179.143 176.600 -0.076 0.000 1.047 94 K CA 1.528 57.604 56.287 -0.352 0.000 0.943 94 K CB -1.020 31.084 32.500 -0.661 0.000 0.725 94 K HN 0.117 nan 8.250 nan 0.000 0.439 95 G N 1.385 110.134 108.800 -0.085 0.000 2.408 95 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 95 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 95 G C 1.644 176.503 174.900 -0.068 0.000 1.150 95 G CA 0.804 45.856 45.100 -0.081 0.000 0.776 95 G HN 0.339 nan 8.290 nan 0.000 0.542 96 A N 0.435 123.210 122.820 -0.075 0.000 2.067 96 A HA 0.296 4.616 4.320 -0.000 0.000 0.219 96 A C 2.340 179.908 177.584 -0.027 0.000 1.158 96 A CA 1.632 53.635 52.037 -0.056 0.000 0.661 96 A CB -0.322 18.646 19.000 -0.053 0.000 0.801 96 A HN 0.496 nan 8.150 nan 0.000 0.452 97 G N -1.056 107.734 108.800 -0.015 0.000 3.284 97 G HA2 0.297 4.257 3.960 -0.000 0.000 0.236 97 G HA3 0.297 4.257 3.960 -0.000 0.000 0.236 97 G C 1.101 176.058 174.900 0.094 0.000 1.158 97 G CA -0.026 45.089 45.100 0.024 0.000 0.774 97 G HN 0.368 nan 8.290 nan 0.000 0.545 98 L N -0.114 121.166 121.223 0.096 0.000 2.081 98 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 98 L C 2.681 179.662 176.870 0.185 0.000 1.080 98 L CA 0.750 55.687 54.840 0.161 0.000 0.754 98 L CB -0.277 41.834 42.059 0.087 0.000 0.893 98 L HN 0.331 nan 8.230 nan 0.000 0.433 99 L N -0.001 121.289 121.223 0.112 0.000 2.043 99 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 99 L C 1.816 178.754 176.870 0.114 0.000 1.075 99 L CA 2.006 56.903 54.840 0.094 0.000 0.752 99 L CB -0.621 41.489 42.059 0.084 0.000 0.891 99 L HN 0.202 nan 8.230 nan 0.000 0.432 100 D N -2.215 118.271 120.400 0.143 0.000 2.312 100 D HA -0.172 4.468 4.640 -0.000 0.000 0.211 100 D C 1.689 178.140 176.300 0.252 0.000 0.964 100 D CA 0.943 55.041 54.000 0.164 0.000 0.877 100 D CB -0.036 40.849 40.800 0.141 0.000 0.924 100 D HN 0.572 nan 8.370 nan 0.000 0.515 101 Y N 0.697 121.099 120.300 0.169 0.000 2.230 101 Y HA -0.016 4.534 4.550 -0.000 0.000 0.294 101 Y C 1.968 177.987 175.900 0.198 0.000 1.120 101 Y CA 0.649 58.892 58.100 0.237 0.000 1.129 101 Y CB -0.615 38.026 38.460 0.302 0.000 1.040 101 Y HN -0.191 nan 8.280 nan 0.000 0.519 102 V N 1.819 121.615 119.914 -0.196 0.000 2.324 102 V HA -0.322 3.797 4.120 -0.000 0.000 0.250 102 V C 1.224 177.226 176.094 -0.154 0.000 1.060 102 V CA 2.397 64.500 62.300 -0.328 0.000 1.042 102 V CB -0.671 31.035 31.823 -0.195 0.000 0.650 102 V HN 0.458 nan 8.190 nan 0.000 0.450 103 N N -0.425 118.258 118.700 -0.028 0.000 2.238 103 N HA 0.121 4.861 4.740 -0.000 0.000 0.222 103 N C 0.514 176.060 175.510 0.059 0.000 1.133 103 N CA 0.129 53.188 53.050 0.014 0.000 0.854 103 N CB 0.494 39.005 38.487 0.041 0.000 1.041 103 N HN 0.378 nan 8.380 nan 0.000 0.510 104 S N 0.763 116.523 115.700 0.099 0.000 2.558 104 S HA -0.045 4.425 4.470 -0.000 0.000 0.287 104 S C 1.386 176.044 174.600 0.096 0.000 1.321 104 S CA -0.061 58.228 58.200 0.148 0.000 1.048 104 S CB 0.809 64.153 63.200 0.241 0.000 0.844 104 S HN 0.112 nan 8.310 nan 0.000 0.512 105 E N 2.682 122.947 120.200 0.108 0.000 2.265 105 E HA -0.065 4.285 4.350 -0.000 0.000 0.196 105 E C 0.697 177.343 176.600 0.076 0.000 0.996 105 E CA 0.741 57.192 56.400 0.084 0.000 0.832 105 E CB -0.252 29.504 29.700 0.095 0.000 0.756 105 E HN 0.573 nan 8.360 nan 0.000 0.491 106 N N 1.106 119.867 118.700 0.101 0.000 2.313 106 N HA -0.001 4.739 4.740 -0.000 0.000 0.207 106 N C 0.089 175.580 175.510 -0.032 0.000 1.141 106 N CA 0.035 53.117 53.050 0.054 0.000 0.830 106 N CB 0.280 38.837 38.487 0.116 0.000 1.008 106 N HN -0.066 nan 8.380 nan 0.000 0.481 107 R N 0.688 121.177 120.500 -0.018 0.000 2.590 107 R HA 0.172 4.512 4.340 -0.000 0.000 0.274 107 R C 0.340 176.578 176.300 -0.104 0.000 1.061 107 R CA -0.145 55.922 56.100 -0.055 0.000 1.081 107 R CB 0.605 30.871 30.300 -0.058 0.000 0.984 107 R HN 0.147 nan 8.270 nan 0.000 0.448 108 L N 3.940 125.089 121.223 -0.124 0.000 2.349 108 L HA 0.290 4.630 4.340 -0.000 0.000 0.275 108 L C 1.704 178.441 176.870 -0.222 0.000 1.115 108 L CA -0.026 54.711 54.840 -0.172 0.000 0.820 108 L CB 0.760 42.725 42.059 -0.157 0.000 1.135 108 L HN 0.495 nan 8.230 nan 0.000 0.445 109 R N 1.667 121.936 120.500 -0.385 0.000 2.167 109 R HA 0.210 4.550 4.340 -0.000 0.000 0.195 109 R C -0.650 175.185 176.300 -0.775 0.000 1.027 109 R CA 0.224 55.915 56.100 -0.683 0.000 1.114 109 R CB 0.440 30.040 30.300 -1.166 0.000 1.075 109 R HN 0.392 nan 8.270 nan 0.000 0.538 110 Y N 0.540 120.761 120.300 -0.131 0.000 2.536 110 Y HA 0.415 4.965 4.550 -0.000 0.000 0.347 110 Y C -2.442 173.237 175.900 -0.367 0.000 1.000 110 Y CA -3.942 54.020 58.100 -0.231 0.000 1.051 110 Y CB 0.487 38.839 38.460 -0.179 0.000 1.259 110 Y HN -0.127 nan 8.280 nan 0.000 0.468 111 P HA 0.107 nan 4.420 nan 0.000 0.267 111 P C -0.947 176.220 177.300 -0.222 0.000 1.209 111 P CA 0.138 62.925 63.100 -0.522 0.000 0.763 111 P CB 0.609 31.773 31.700 -0.893 0.000 0.816 112 E N 1.700 121.811 120.200 -0.148 0.000 2.288 112 E HA 0.480 4.830 4.350 -0.000 0.000 0.268 112 E C -1.454 175.263 176.600 0.195 0.000 0.885 112 E CA -0.723 55.666 56.400 -0.019 0.000 0.767 112 E CB 1.959 31.522 29.700 -0.227 0.000 1.220 112 E HN 0.387 nan 8.360 nan 0.000 0.427 113 Y N 1.571 121.964 120.300 0.155 0.000 2.442 113 Y HA 0.402 4.952 4.550 -0.000 0.000 0.344 113 Y C -1.263 174.633 175.900 -0.006 0.000 0.976 113 Y CA -0.941 57.154 58.100 -0.008 0.000 1.040 113 Y CB 1.386 39.728 38.460 -0.196 0.000 1.228 113 Y HN 0.338 nan 8.280 nan 0.000 0.451 114 R N 5.005 124.989 120.500 -0.861 0.000 2.360 114 R HA 0.741 5.081 4.340 -0.000 0.000 0.318 114 R C -1.236 174.207 176.300 -1.428 0.000 0.950 114 R CA -0.287 55.115 56.100 -1.163 0.000 0.837 114 R CB 0.938 30.235 30.300 -1.671 0.000 1.165 114 R HN 0.901 nan 8.270 nan 0.000 0.458 115 A N 5.904 128.078 122.820 -1.077 0.000 2.332 115 A HA 0.497 4.817 4.320 -0.000 0.000 0.258 115 A C -2.219 175.055 177.584 -0.516 0.000 1.087 115 A CA -1.533 50.085 52.037 -0.699 0.000 0.802 115 A CB 0.049 18.914 19.000 -0.226 0.000 1.042 115 A HN 0.530 nan 8.150 nan 0.000 0.489 116 P HA 0.197 nan 4.420 nan 0.000 0.264 116 P C 0.951 178.115 177.300 -0.226 0.000 1.193 116 P CA 1.885 64.843 63.100 -0.236 0.000 0.763 116 P CB 0.440 32.072 31.700 -0.113 0.000 0.810 117 G N 1.823 110.483 108.800 -0.233 0.000 2.175 117 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.265 117 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.265 117 G C 0.533 175.298 174.900 -0.225 0.000 0.979 117 G CA 0.449 45.437 45.100 -0.188 0.000 0.663 117 G HN 0.753 nan 8.290 nan 0.000 0.533 118 S N 0.060 115.552 115.700 -0.348 0.000 2.617 118 S HA 0.486 4.955 4.470 -0.000 0.000 0.269 118 S C 0.960 175.329 174.600 -0.386 0.000 1.292 118 S CA 0.457 58.440 58.200 -0.362 0.000 1.010 118 S CB 0.896 63.823 63.200 -0.456 0.000 0.944 118 S HN 0.527 nan 8.310 nan 0.000 0.536 119 D N 0.938 121.203 120.400 -0.225 0.000 2.501 119 D HA 0.214 4.854 4.640 -0.000 0.000 0.224 119 D C -0.180 176.126 176.300 0.010 0.000 1.202 119 D CA -0.341 53.644 54.000 -0.025 0.000 0.829 119 D CB -0.242 40.559 40.800 0.003 0.000 1.023 119 D HN 0.611 nan 8.370 nan 0.000 0.499 120 K N -1.570 118.697 120.400 -0.223 0.000 2.556 120 K HA 0.524 4.843 4.320 -0.000 0.000 0.274 120 K C -1.409 175.044 176.600 -0.245 0.000 0.966 120 K CA -1.035 55.186 56.287 -0.111 0.000 0.865 120 K CB 0.877 33.368 32.500 -0.016 0.000 1.444 120 K HN -0.116 nan 8.250 nan 0.000 0.433 121 W N 1.066 122.400 121.300 0.056 0.000 2.303 121 W HA 0.304 4.964 4.660 -0.000 0.000 0.334 121 W C -0.010 176.505 176.519 -0.006 0.000 1.197 121 W CA 0.035 57.385 57.345 0.008 0.000 1.262 121 W CB 1.397 30.915 29.460 0.096 0.000 1.153 121 W HN 0.578 nan 8.180 nan 0.000 0.596 122 Q N 2.937 122.904 119.800 0.278 0.000 2.330 122 Q HA 0.309 4.649 4.340 -0.000 0.000 0.269 122 Q C -0.705 175.383 176.000 0.147 0.000 1.022 122 Q CA -0.960 54.946 55.803 0.171 0.000 0.796 122 Q CB 1.303 30.122 28.738 0.136 0.000 1.271 122 Q HN 0.451 nan 8.270 nan 0.000 0.450 123 R N 4.534 125.073 120.500 0.065 0.000 2.401 123 R HA 0.430 4.770 4.340 -0.000 0.000 0.299 123 R C -0.327 175.946 176.300 -0.046 0.000 1.064 123 R CA 0.063 56.157 56.100 -0.010 0.000 1.000 123 R CB 0.027 30.268 30.300 -0.099 0.000 0.973 123 R HN 0.797 nan 8.270 nan 0.000 0.438 124 I N 0.260 120.783 120.570 -0.078 0.000 3.108 124 I HA 0.545 4.715 4.170 -0.000 0.000 0.312 124 I C -0.331 175.682 176.117 -0.172 0.000 1.095 124 I CA -1.202 60.035 61.300 -0.106 0.000 1.000 124 I CB 2.206 40.151 38.000 -0.091 0.000 1.229 124 I HN 0.684 nan 8.210 nan 0.000 0.454 125 S N 0.991 116.606 115.700 -0.143 0.000 2.632 125 S HA 0.275 4.744 4.470 -0.000 0.000 0.267 125 S C 0.306 174.777 174.600 -0.216 0.000 1.276 125 S CA -0.447 57.668 58.200 -0.141 0.000 0.998 125 S CB 0.805 63.981 63.200 -0.040 0.000 0.953 125 S HN 0.870 nan 8.310 nan 0.000 0.547 126 W N 0.540 121.729 121.300 -0.184 0.000 2.358 126 W HA -0.028 4.632 4.660 -0.000 0.000 0.303 126 W C 2.535 178.707 176.519 -0.579 0.000 1.208 126 W CA 1.025 58.091 57.345 -0.465 0.000 1.274 126 W CB -0.142 29.108 29.460 -0.350 0.000 1.138 126 W HN 0.719 nan 8.180 nan 0.000 0.515 127 E N 0.474 120.700 120.200 0.044 0.000 2.153 127 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 127 E C 1.709 178.319 176.600 0.016 0.000 0.988 127 E CA 1.485 57.958 56.400 0.122 0.000 0.811 127 E CB -0.433 29.394 29.700 0.212 0.000 0.746 127 E HN 0.555 nan 8.360 nan 0.000 0.466 128 E N 1.014 121.193 120.200 -0.036 0.000 2.072 128 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 128 E C 2.138 178.697 176.600 -0.068 0.000 0.985 128 E CA 0.949 57.323 56.400 -0.044 0.000 0.801 128 E CB -0.159 29.504 29.700 -0.061 0.000 0.750 128 E HN 0.183 nan 8.360 nan 0.000 0.452 129 A N 1.344 124.085 122.820 -0.131 0.000 1.865 129 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 129 A C 1.939 179.450 177.584 -0.122 0.000 1.191 129 A CA 1.422 53.400 52.037 -0.100 0.000 0.623 129 A CB -0.825 18.066 19.000 -0.182 0.000 0.826 129 A HN 0.149 nan 8.150 nan 0.000 0.444 130 F N 1.279 121.176 119.950 -0.089 0.000 2.095 130 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 130 F C 3.073 178.649 175.800 -0.372 0.000 1.104 130 F CA 1.361 59.194 58.000 -0.277 0.000 1.232 130 F CB -1.167 37.502 39.000 -0.553 0.000 0.987 130 F HN 0.384 nan 8.300 nan 0.000 0.475 131 S N 0.430 116.040 115.700 -0.149 0.000 2.368 131 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 131 S C 2.055 176.652 174.600 -0.006 0.000 1.029 131 S CA 0.860 59.069 58.200 0.014 0.000 0.988 131 S CB -0.608 62.664 63.200 0.120 0.000 0.838 131 S HN 0.375 nan 8.310 nan 0.000 0.462 132 R N 0.792 121.265 120.500 -0.046 0.000 2.075 132 R HA 0.175 4.514 4.340 -0.000 0.000 0.232 132 R C 2.340 178.526 176.300 -0.189 0.000 1.126 132 R CA 1.585 57.654 56.100 -0.051 0.000 0.963 132 R CB -0.599 29.750 30.300 0.081 0.000 0.858 132 R HN 0.448 nan 8.270 nan 0.000 0.435 133 I N 0.693 121.049 120.570 -0.356 0.000 2.252 133 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 133 I C 2.613 178.651 176.117 -0.131 0.000 1.102 133 I CA 1.118 62.173 61.300 -0.408 0.000 1.385 133 I CB -0.381 37.403 38.000 -0.360 0.000 1.064 133 I HN 0.185 nan 8.210 nan 0.000 0.414 134 A N 0.647 123.459 122.820 -0.014 0.000 1.902 134 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 134 A C 2.398 179.979 177.584 -0.004 0.000 1.181 134 A CA 1.753 53.822 52.037 0.053 0.000 0.623 134 A CB -0.518 18.549 19.000 0.112 0.000 0.818 134 A HN 0.310 nan 8.150 nan 0.000 0.443 135 K N -0.392 119.990 120.400 -0.030 0.000 2.032 135 K HA -0.113 4.207 4.320 -0.000 0.000 0.209 135 K C 1.931 178.488 176.600 -0.071 0.000 1.048 135 K CA 1.535 57.793 56.287 -0.049 0.000 0.927 135 K CB -0.327 32.156 32.500 -0.030 0.000 0.712 135 K HN 0.481 nan 8.250 nan 0.000 0.441 136 L N 0.408 121.547 121.223 -0.140 0.000 2.046 136 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 136 L C 2.664 179.439 176.870 -0.158 0.000 1.077 136 L CA 1.299 55.995 54.840 -0.241 0.000 0.747 136 L CB -0.249 41.456 42.059 -0.590 0.000 0.896 136 L HN 0.301 nan 8.230 nan 0.000 0.432 137 M N -0.752 118.805 119.600 -0.072 0.000 2.099 137 M HA -0.241 4.239 4.480 -0.000 0.000 0.262 137 M C 2.409 178.803 176.300 0.157 0.000 1.067 137 M CA 1.698 57.159 55.300 0.270 0.000 1.124 137 M CB -0.294 32.515 32.600 0.348 0.000 1.353 137 M HN 0.117 nan 8.290 nan 0.000 0.410 138 K N 0.437 120.846 120.400 0.015 0.000 2.026 138 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 138 K C 1.952 178.496 176.600 -0.092 0.000 1.048 138 K CA 1.475 57.700 56.287 -0.105 0.000 0.929 138 K CB -0.104 32.248 32.500 -0.247 0.000 0.713 138 K HN 0.265 nan 8.250 nan 0.000 0.439 139 A N 1.274 124.072 122.820 -0.036 0.000 1.883 139 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 139 A C 1.860 179.494 177.584 0.084 0.000 1.186 139 A CA 2.297 54.337 52.037 0.005 0.000 0.624 139 A CB -0.889 18.127 19.000 0.025 0.000 0.822 139 A HN 0.576 nan 8.150 nan 0.000 0.444 140 D N -1.219 119.302 120.400 0.202 0.000 2.144 140 D HA -0.157 4.483 4.640 -0.000 0.000 0.200 140 D C 2.124 178.606 176.300 0.303 0.000 0.978 140 D CA 1.357 55.572 54.000 0.358 0.000 0.833 140 D CB -0.096 41.079 40.800 0.626 0.000 0.961 140 D HN 0.462 nan 8.370 nan 0.000 0.470 141 R N -0.112 120.376 120.500 -0.020 0.000 2.090 141 R HA -0.081 4.259 4.340 -0.000 0.000 0.228 141 R C 1.162 177.338 176.300 -0.207 0.000 1.110 141 R CA 1.406 57.133 56.100 -0.621 0.000 0.973 141 R CB 0.041 29.559 30.300 -1.304 0.000 0.869 141 R HN 0.119 nan 8.270 nan 0.000 0.440 142 D N 0.291 120.634 120.400 -0.095 0.000 2.183 142 D HA -0.060 4.580 4.640 -0.000 0.000 0.203 142 D C 1.616 177.936 176.300 0.033 0.000 0.969 142 D CA 1.264 55.241 54.000 -0.038 0.000 0.842 142 D CB -0.031 40.725 40.800 -0.074 0.000 0.957 142 D HN 0.367 nan 8.370 nan 0.000 0.484 143 A N 0.978 123.839 122.820 0.068 0.000 1.872 143 A HA -0.102 4.217 4.320 -0.000 0.000 0.214 143 A C 1.777 179.444 177.584 0.139 0.000 1.187 143 A CA 1.108 53.205 52.037 0.100 0.000 0.614 143 A CB -0.120 18.953 19.000 0.121 0.000 0.826 143 A HN 0.119 nan 8.150 nan 0.000 0.442 144 N N -1.681 117.141 118.700 0.204 0.000 2.205 144 N HA 0.134 4.874 4.740 -0.000 0.000 0.201 144 N C -0.317 175.363 175.510 0.283 0.000 1.128 144 N CA -0.286 52.912 53.050 0.247 0.000 0.867 144 N CB 0.206 38.891 38.487 0.330 0.000 0.996 144 N HN 0.406 nan 8.380 nan 0.000 0.503 145 F N 1.935 121.919 119.950 0.056 0.000 2.607 145 F HA 0.094 4.621 4.527 -0.000 0.000 0.374 145 F C 0.362 176.204 175.800 0.070 0.000 1.104 145 F CA -0.040 57.980 58.000 0.034 0.000 1.296 145 F CB 0.405 39.340 39.000 -0.109 0.000 1.085 145 F HN -0.120 nan 8.300 nan 0.000 0.584 146 I N 6.942 127.229 120.570 -0.471 0.000 2.337 146 I HA 0.112 4.282 4.170 -0.000 0.000 0.285 146 I C 0.972 176.796 176.117 -0.488 0.000 1.041 146 I CA -0.013 61.099 61.300 -0.314 0.000 1.199 146 I CB 1.210 39.102 38.000 -0.180 0.000 1.370 146 I HN 0.749 nan 8.210 nan 0.000 0.470 147 E N 6.054 126.156 120.200 -0.162 0.000 2.028 147 E HA -0.010 4.339 4.350 -0.000 0.000 0.190 147 E C 0.221 176.807 176.600 -0.023 0.000 0.984 147 E CA 1.090 57.485 56.400 -0.009 0.000 0.800 147 E CB 0.502 30.305 29.700 0.172 0.000 0.758 147 E HN 0.480 nan 8.360 nan 0.000 0.448 148 K N 1.137 121.530 120.400 -0.011 0.000 2.318 148 K HA 0.181 4.501 4.320 -0.000 0.000 0.249 148 K C -0.600 175.993 176.600 -0.012 0.000 0.942 148 K CA -0.916 55.367 56.287 -0.007 0.000 0.808 148 K CB 1.472 33.980 32.500 0.013 0.000 1.189 148 K HN 0.117 nan 8.250 nan 0.000 0.428 149 N N 0.269 118.963 118.700 -0.010 0.000 2.405 149 N HA 0.029 4.768 4.740 -0.000 0.000 0.269 149 N C 0.270 175.782 175.510 0.003 0.000 1.249 149 N CA -0.218 52.831 53.050 -0.003 0.000 0.974 149 N CB 0.354 38.840 38.487 -0.003 0.000 1.204 149 N HN 0.530 nan 8.380 nan 0.000 0.565 150 E N -1.318 118.886 120.200 0.008 0.000 2.338 150 E HA -0.138 4.211 4.350 -0.000 0.000 0.197 150 E C 0.391 176.994 176.600 0.004 0.000 1.007 150 E CA 0.898 57.303 56.400 0.008 0.000 0.849 150 E CB -0.091 29.616 29.700 0.012 0.000 0.774 150 E HN 0.519 nan 8.360 nan 0.000 0.506 151 Q N -0.818 118.982 119.800 0.000 0.000 2.280 151 Q HA 0.189 4.529 4.340 -0.000 0.000 0.202 151 Q C 0.956 176.954 176.000 -0.002 0.000 0.903 151 Q CA 0.566 56.367 55.803 -0.003 0.000 0.948 151 Q CB 0.937 29.670 28.738 -0.008 0.000 1.058 151 Q HN 0.330 nan 8.270 nan 0.000 0.493 152 G N -0.906 107.894 108.800 0.000 0.000 2.179 152 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 152 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 152 G C 0.096 174.997 174.900 0.002 0.000 0.977 152 G CA 0.178 45.280 45.100 0.002 0.000 0.641 152 G HN 0.244 nan 8.290 nan 0.000 0.533 153 V N 1.416 121.329 119.914 -0.002 0.000 2.649 153 V HA 0.481 4.600 4.120 -0.000 0.000 0.292 153 V C 1.122 177.214 176.094 -0.003 0.000 1.055 153 V CA 0.251 62.550 62.300 -0.002 0.000 1.023 153 V CB 1.528 33.345 31.823 -0.010 0.000 0.992 153 V HN 0.271 nan 8.190 nan 0.000 0.480 154 T N 4.058 118.614 114.554 0.003 0.000 2.752 154 T HA 0.236 4.586 4.350 -0.000 0.000 0.295 154 T C 0.862 175.551 174.700 -0.019 0.000 0.923 154 T CA 0.023 62.126 62.100 0.005 0.000 1.112 154 T CB 0.801 69.680 68.868 0.018 0.000 0.884 154 T HN 0.739 nan 8.240 nan 0.000 0.525 155 V N 0.666 120.562 119.914 -0.031 0.000 3.612 155 V HA 0.293 4.413 4.120 -0.000 0.000 0.268 155 V C 0.614 176.673 176.094 -0.059 0.000 1.365 155 V CA -0.532 61.739 62.300 -0.049 0.000 1.044 155 V CB -0.549 31.244 31.823 -0.049 0.000 0.820 155 V HN 0.827 nan 8.190 nan 0.000 0.444 156 N N 2.962 121.606 118.700 -0.094 0.000 2.678 156 N HA -0.206 4.534 4.740 -0.000 0.000 0.268 156 N C 0.117 175.484 175.510 -0.239 0.000 1.010 156 N CA 1.577 54.562 53.050 -0.108 0.000 0.784 156 N CB -0.649 37.991 38.487 0.255 0.000 0.905 156 N HN 0.973 nan 8.380 nan 0.000 0.552 157 R N -1.110 119.085 120.500 -0.509 0.000 2.740 157 R HA 0.626 4.966 4.340 -0.000 0.000 0.282 157 R C -1.157 175.023 176.300 -0.201 0.000 0.969 157 R CA -0.952 55.025 56.100 -0.205 0.000 0.918 157 R CB 1.423 31.689 30.300 -0.056 0.000 1.175 157 R HN 0.108 nan 8.270 nan 0.000 0.464 158 W N 5.485 126.722 121.300 -0.105 0.000 2.475 158 W HA 0.405 5.065 4.660 -0.000 0.000 0.320 158 W C -0.987 175.528 176.519 -0.008 0.000 1.022 158 W CA -1.615 55.750 57.345 0.034 0.000 1.240 158 W CB 1.030 30.637 29.460 0.245 0.000 1.328 158 W HN 0.723 nan 8.180 nan 0.000 0.439 159 L N 4.455 125.694 121.223 0.026 0.000 2.731 159 L HA 0.033 4.373 4.340 -0.000 0.000 0.240 159 L C 1.994 178.815 176.870 -0.081 0.000 1.120 159 L CA 0.610 55.365 54.840 -0.142 0.000 0.913 159 L CB -0.001 41.961 42.059 -0.161 0.000 1.213 159 L HN 0.535 nan 8.230 nan 0.000 0.515 160 S N -2.122 113.511 115.700 -0.113 0.000 2.593 160 S HA 0.110 4.580 4.470 -0.000 0.000 0.217 160 S C 0.689 175.205 174.600 -0.140 0.000 0.966 160 S CA -0.178 58.000 58.200 -0.037 0.000 0.914 160 S CB -0.033 63.254 63.200 0.145 0.000 0.776 160 S HN 0.157 nan 8.310 nan 0.000 0.523 161 T N 1.055 115.308 114.554 -0.501 0.000 2.881 161 T HA 0.712 5.062 4.350 -0.000 0.000 0.290 161 T C -0.098 174.414 174.700 -0.314 0.000 1.000 161 T CA -0.463 61.383 62.100 -0.423 0.000 0.978 161 T CB 1.677 70.177 68.868 -0.612 0.000 0.997 161 T HN 0.420 nan 8.240 nan 0.000 0.443 162 G N 1.777 110.626 108.800 0.082 0.000 2.818 162 G HA2 0.827 4.787 3.960 -0.000 0.000 0.286 162 G HA3 0.827 4.787 3.960 -0.000 0.000 0.286 162 G C -1.485 173.402 174.900 -0.021 0.000 1.364 162 G CA -0.816 44.276 45.100 -0.014 0.000 0.938 162 G HN 0.605 nan 8.290 nan 0.000 0.490 163 M N 0.300 119.791 119.600 -0.182 0.000 2.378 163 M HA 0.406 4.886 4.480 -0.000 0.000 0.289 163 M C -1.362 174.783 176.300 -0.259 0.000 1.136 163 M CA -0.415 54.741 55.300 -0.240 0.000 0.917 163 M CB 2.838 35.368 32.600 -0.115 0.000 1.669 163 M HN 0.176 nan 8.290 nan 0.000 0.461 164 L N 2.157 123.191 121.223 -0.315 0.000 2.296 164 L HA 0.608 4.948 4.340 -0.000 0.000 0.286 164 L C -0.941 175.958 176.870 0.049 0.000 1.023 164 L CA -0.723 54.012 54.840 -0.174 0.000 0.812 164 L CB 1.658 43.417 42.059 -0.501 0.000 1.223 164 L HN 0.745 nan 8.230 nan 0.000 0.421 165 C N 1.880 121.285 119.300 0.175 0.000 2.397 165 C HA 0.704 5.164 4.460 -0.000 0.000 0.343 165 C C 0.836 175.922 174.990 0.160 0.000 1.188 165 C CA -0.993 58.106 59.018 0.134 0.000 1.992 165 C CB 1.253 29.047 27.740 0.091 0.000 2.358 165 C HN 0.861 nan 8.230 nan 0.000 0.518 166 A N 2.011 124.868 122.820 0.061 0.000 2.437 166 A HA 0.361 4.681 4.320 -0.000 0.000 0.303 166 A C 1.102 178.651 177.584 -0.058 0.000 1.324 166 A CA 0.040 52.067 52.037 -0.016 0.000 0.983 166 A CB -0.064 18.924 19.000 -0.020 0.000 1.142 166 A HN 0.937 nan 8.150 nan 0.000 0.541 167 S N 2.137 117.740 115.700 -0.162 0.000 2.547 167 S HA -0.030 4.439 4.470 -0.000 0.000 0.235 167 S C 1.703 176.238 174.600 -0.109 0.000 0.980 167 S CA 1.138 59.260 58.200 -0.131 0.000 0.941 167 S CB 0.179 63.285 63.200 -0.156 0.000 0.763 167 S HN 0.943 nan 8.310 nan 0.000 0.532 168 G N 0.208 108.930 108.800 -0.129 0.000 3.088 168 G HA2 0.542 4.502 3.960 -0.000 0.000 0.217 168 G HA3 0.542 4.502 3.960 -0.000 0.000 0.217 168 G C 0.199 175.150 174.900 0.084 0.000 1.159 168 G CA 0.286 45.443 45.100 0.096 0.000 0.760 168 G HN 0.524 nan 8.290 nan 0.000 0.550 169 A N 0.318 123.162 122.820 0.039 0.000 2.288 169 A HA 0.772 5.092 4.320 -0.000 0.000 0.328 169 A C 0.723 178.342 177.584 0.058 0.000 1.123 169 A CA 0.090 52.155 52.037 0.047 0.000 0.861 169 A CB 0.864 19.874 19.000 0.017 0.000 1.272 169 A HN 0.689 nan 8.150 nan 0.000 0.490 170 S N 0.162 115.891 115.700 0.049 0.000 2.608 170 S HA 0.059 4.529 4.470 -0.000 0.000 0.261 170 S C 0.663 175.278 174.600 0.025 0.000 1.314 170 S CA -0.035 58.187 58.200 0.036 0.000 0.992 170 S CB 0.284 63.460 63.200 -0.039 0.000 0.935 170 S HN 0.613 nan 8.310 nan 0.000 0.564 171 N N 1.229 119.951 118.700 0.036 0.000 2.223 171 N HA -0.071 4.668 4.740 -0.000 0.000 0.185 171 N C 1.476 177.009 175.510 0.038 0.000 1.016 171 N CA 1.433 54.533 53.050 0.083 0.000 0.863 171 N CB -0.564 38.011 38.487 0.147 0.000 0.983 171 N HN 0.720 nan 8.380 nan 0.000 0.429 172 E N -0.661 119.525 120.200 -0.024 0.000 2.107 172 E HA 0.001 4.350 4.350 -0.000 0.000 0.191 172 E C 1.906 178.450 176.600 -0.094 0.000 0.982 172 E CA 0.918 57.280 56.400 -0.064 0.000 0.809 172 E CB -0.453 29.190 29.700 -0.096 0.000 0.756 172 E HN 0.199 nan 8.360 nan 0.000 0.459 173 T N 0.037 114.545 114.554 -0.077 0.000 2.746 173 T HA -0.128 4.221 4.350 -0.000 0.000 0.267 173 T C 1.918 176.587 174.700 -0.052 0.000 1.039 173 T CA 1.395 63.451 62.100 -0.074 0.000 1.142 173 T CB -0.718 68.121 68.868 -0.048 0.000 0.866 173 T HN 0.411 nan 8.240 nan 0.000 0.444 174 G N 1.311 110.102 108.800 -0.015 0.000 2.476 174 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 174 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 174 G C 1.561 176.463 174.900 0.003 0.000 1.164 174 G CA 1.419 46.523 45.100 0.007 0.000 0.768 174 G HN 0.404 nan 8.290 nan 0.000 0.560 175 M N 0.411 120.011 119.600 -0.000 0.000 2.175 175 M HA 0.199 4.679 4.480 -0.000 0.000 0.264 175 M C 2.306 178.593 176.300 -0.022 0.000 1.063 175 M CA 1.102 56.411 55.300 0.014 0.000 1.119 175 M CB -0.470 32.143 32.600 0.022 0.000 1.377 175 M HN 0.176 nan 8.290 nan 0.000 0.415 176 L N -1.106 120.060 121.223 -0.095 0.000 2.046 176 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 176 L C 2.158 179.020 176.870 -0.013 0.000 1.077 176 L CA 1.700 56.459 54.840 -0.134 0.000 0.747 176 L CB -1.363 40.565 42.059 -0.218 0.000 0.896 176 L HN 0.297 nan 8.230 nan 0.000 0.432 177 T N -1.229 113.300 114.554 -0.041 0.000 2.788 177 T HA -0.257 4.092 4.350 -0.000 0.000 0.268 177 T C 1.800 176.523 174.700 0.039 0.000 1.044 177 T CA 1.439 63.516 62.100 -0.038 0.000 1.139 177 T CB -0.130 68.704 68.868 -0.058 0.000 0.867 177 T HN 0.211 nan 8.240 nan 0.000 0.454 178 Q N 1.412 121.234 119.800 0.037 0.000 2.050 178 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 178 Q C 2.098 178.100 176.000 0.005 0.000 0.980 178 Q CA 1.708 57.544 55.803 0.054 0.000 0.840 178 Q CB -0.150 28.643 28.738 0.092 0.000 0.898 178 Q HN 0.434 nan 8.270 nan 0.000 0.424 179 K N -0.725 119.657 120.400 -0.030 0.000 2.057 179 K HA -0.138 4.181 4.320 -0.000 0.000 0.207 179 K C 1.975 178.536 176.600 -0.065 0.000 1.049 179 K CA 1.352 57.545 56.287 -0.155 0.000 0.931 179 K CB -0.426 32.019 32.500 -0.091 0.000 0.714 179 K HN 0.219 nan 8.250 nan 0.000 0.440 180 F N 1.837 121.673 119.950 -0.189 0.000 2.046 180 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 180 F C 2.244 177.979 175.800 -0.110 0.000 1.123 180 F CA 1.675 59.492 58.000 -0.306 0.000 1.199 180 F CB -0.593 38.217 39.000 -0.316 0.000 0.972 180 F HN -0.007 nan 8.300 nan 0.000 0.474 181 A N 0.995 123.935 122.820 0.200 0.000 1.851 181 A HA -0.200 4.119 4.320 -0.000 0.000 0.216 181 A C 2.267 179.881 177.584 0.050 0.000 1.195 181 A CA 1.880 53.981 52.037 0.107 0.000 0.622 181 A CB -0.716 18.346 19.000 0.104 0.000 0.831 181 A HN 0.402 nan 8.150 nan 0.000 0.444 182 R N 0.497 121.016 120.500 0.033 0.000 2.115 182 R HA -0.073 4.267 4.340 -0.000 0.000 0.230 182 R C 2.489 178.816 176.300 0.046 0.000 1.111 182 R CA 1.581 57.712 56.100 0.052 0.000 0.976 182 R CB -1.457 28.864 30.300 0.035 0.000 0.870 182 R HN 0.744 nan 8.270 nan 0.000 0.445 183 S N 0.418 116.104 115.700 -0.023 0.000 2.447 183 S HA -0.017 4.453 4.470 -0.000 0.000 0.233 183 S C 1.918 176.509 174.600 -0.016 0.000 1.006 183 S CA 0.654 58.851 58.200 -0.005 0.000 0.957 183 S CB -0.280 62.926 63.200 0.011 0.000 0.773 183 S HN 0.229 nan 8.310 nan 0.000 0.507 184 L N 0.780 122.005 121.223 0.004 0.000 2.558 184 L HA 0.362 4.702 4.340 -0.000 0.000 0.225 184 L C 1.844 178.898 176.870 0.306 0.000 1.128 184 L CA 0.424 55.288 54.840 0.041 0.000 0.868 184 L CB -0.354 41.767 42.059 0.104 0.000 1.006 184 L HN 0.572 nan 8.230 nan 0.000 0.454 185 G N -0.176 108.799 108.800 0.292 0.000 2.141 185 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 185 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 185 G C 0.293 175.374 174.900 0.301 0.000 0.982 185 G CA -0.266 45.054 45.100 0.367 0.000 0.662 185 G HN 0.197 nan 8.290 nan 0.000 0.527 186 M N 0.011 119.750 119.600 0.232 0.000 2.238 186 M HA 0.441 4.921 4.480 -0.000 0.000 0.347 186 M C 1.507 177.836 176.300 0.050 0.000 1.173 186 M CA 0.405 55.757 55.300 0.086 0.000 1.147 186 M CB 0.772 33.375 32.600 0.006 0.000 1.547 186 M HN 0.099 nan 8.290 nan 0.000 0.455 187 L N 1.638 122.841 121.223 -0.034 0.000 2.717 187 L HA 0.312 4.652 4.340 -0.000 0.000 0.239 187 L C 0.969 177.813 176.870 -0.043 0.000 1.086 187 L CA -0.093 54.759 54.840 0.020 0.000 0.897 187 L CB 0.386 42.506 42.059 0.102 0.000 1.214 187 L HN 0.791 nan 8.230 nan 0.000 0.508 188 A N 1.337 124.007 122.820 -0.250 0.000 3.015 188 A HA 0.521 4.841 4.320 -0.000 0.000 0.293 188 A C -0.452 176.996 177.584 -0.226 0.000 1.572 188 A CA 0.014 51.819 52.037 -0.387 0.000 1.274 188 A CB -0.402 17.867 19.000 -1.219 0.000 1.156 188 A HN 0.018 nan 8.150 nan 0.000 0.562 189 V N 3.005 122.876 119.914 -0.072 0.000 2.419 189 V HA 0.399 4.519 4.120 -0.000 0.000 0.287 189 V C -1.096 175.020 176.094 0.038 0.000 1.017 189 V CA -0.585 61.703 62.300 -0.021 0.000 0.844 189 V CB 1.546 33.374 31.823 0.010 0.000 1.011 189 V HN 0.745 nan 8.190 nan 0.000 0.429 190 D N 2.769 123.210 120.400 0.069 0.000 2.552 190 D HA 0.504 5.144 4.640 -0.000 0.000 0.239 190 D C -0.733 175.702 176.300 0.225 0.000 1.139 190 D CA -0.366 53.718 54.000 0.141 0.000 0.914 190 D CB 2.502 43.401 40.800 0.166 0.000 1.461 190 D HN 0.606 nan 8.370 nan 0.000 0.462 191 N N -0.285 118.581 118.700 0.278 0.000 2.906 191 N HA 0.111 4.851 4.740 -0.000 0.000 0.327 191 N C 0.412 176.205 175.510 0.470 0.000 1.344 191 N CA -0.359 52.908 53.050 0.363 0.000 0.823 191 N CB 0.818 39.426 38.487 0.202 0.000 1.351 191 N HN 0.027 nan 8.380 nan 0.000 0.604 192 Q N -0.100 119.847 119.800 0.246 0.000 2.376 192 Q HA -0.012 4.328 4.340 -0.000 0.000 0.211 192 Q C 1.900 178.048 176.000 0.246 0.000 0.986 192 Q CA 1.973 57.858 55.803 0.137 0.000 0.886 192 Q CB -0.616 28.086 28.738 -0.060 0.000 0.927 192 Q HN 0.718 nan 8.270 nan 0.000 0.457 193 A N 0.649 123.618 122.820 0.248 0.000 1.978 193 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 193 A C 2.033 179.755 177.584 0.230 0.000 1.170 193 A CA 1.731 53.918 52.037 0.250 0.000 0.636 193 A CB -0.440 18.701 19.000 0.234 0.000 0.810 193 A HN 0.237 nan 8.150 nan 0.000 0.448 194 R N 0.218 120.855 120.500 0.229 0.000 2.105 194 R HA -0.086 4.254 4.340 -0.000 0.000 0.239 194 R C 1.038 177.436 176.300 0.162 0.000 1.135 194 R CA 1.758 57.965 56.100 0.179 0.000 0.967 194 R CB -0.997 29.406 30.300 0.172 0.000 0.861 194 R HN 0.541 nan 8.270 nan 0.000 0.442 198 G N 1.784 110.741 108.800 0.262 0.000 2.476 198 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 198 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 198 G C -0.729 174.290 174.900 0.199 0.000 1.164 198 G CA 1.084 46.311 45.100 0.211 0.000 0.768 198 G HN 0.260 nan 8.290 nan 0.000 0.560 199 P HA -0.046 nan 4.420 nan 0.000 0.218 199 P C 1.952 179.372 177.300 0.200 0.000 1.148 199 P CA 1.535 64.733 63.100 0.162 0.000 0.822 199 P CB -0.236 31.557 31.700 0.155 0.000 0.784 200 T N -0.583 114.163 114.554 0.319 0.000 2.674 200 T HA -0.092 4.258 4.350 -0.000 0.000 0.265 200 T C 1.860 176.710 174.700 0.250 0.000 1.039 200 T CA 1.297 63.623 62.100 0.378 0.000 1.150 200 T CB -0.963 68.263 68.868 0.598 0.000 0.864 200 T HN -0.126 nan 8.240 nan 0.000 0.427 201 V N 1.722 121.786 119.914 0.250 0.000 2.343 201 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 201 V C 2.829 179.011 176.094 0.147 0.000 1.051 201 V CA 1.738 64.163 62.300 0.208 0.000 1.036 201 V CB -1.114 30.856 31.823 0.245 0.000 0.654 201 V HN 0.533 nan 8.190 nan 0.000 0.451 202 A N 0.179 123.074 122.820 0.125 0.000 2.070 202 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 202 A C 2.377 179.975 177.584 0.023 0.000 1.159 202 A CA 2.172 54.251 52.037 0.071 0.000 0.656 202 A CB -0.346 18.694 19.000 0.067 0.000 0.800 202 A HN 0.699 nan 8.150 nan 0.000 0.453 203 S N -1.469 114.243 115.700 0.020 0.000 2.564 203 S HA 0.235 4.705 4.470 -0.000 0.000 0.231 203 S C 1.656 176.181 174.600 -0.126 0.000 1.067 203 S CA 0.337 58.497 58.200 -0.067 0.000 0.908 203 S CB -0.417 62.736 63.200 -0.079 0.000 0.809 203 S HN 0.348 nan 8.310 nan 0.000 0.491 204 L N 1.433 122.632 121.223 -0.040 0.000 2.179 204 L HA 0.174 4.514 4.340 -0.000 0.000 0.208 204 L C 3.057 179.910 176.870 -0.028 0.000 1.096 204 L CA 1.048 55.833 54.840 -0.092 0.000 0.779 204 L CB -0.711 41.430 42.059 0.138 0.000 0.922 204 L HN 0.465 nan 8.230 nan 0.000 0.443 205 A N 0.951 123.808 122.820 0.061 0.000 1.858 205 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 205 A C -0.115 177.500 177.584 0.051 0.000 1.190 205 A CA 1.447 53.552 52.037 0.113 0.000 0.617 205 A CB -1.743 17.339 19.000 0.137 0.000 0.827 205 A HN 0.243 nan 8.150 nan 0.000 0.443 206 P HA -0.096 nan 4.420 nan 0.000 0.216 206 P C 1.398 178.616 177.300 -0.137 0.000 1.150 206 P CA 1.912 64.973 63.100 -0.064 0.000 0.837 206 P CB -0.222 31.411 31.700 -0.111 0.000 0.786 207 T N -1.651 112.738 114.554 -0.274 0.000 2.809 207 T HA -0.015 4.335 4.350 -0.000 0.000 0.260 207 T C 0.988 175.436 174.700 -0.420 0.000 1.039 207 T CA 1.299 63.127 62.100 -0.453 0.000 1.141 207 T CB -0.521 67.871 68.868 -0.792 0.000 0.869 207 T HN -0.002 nan 8.240 nan 0.000 0.437 208 F N -0.187 119.648 119.950 -0.192 0.000 2.712 208 F HA 0.518 5.045 4.527 -0.000 0.000 0.297 208 F C 2.018 177.798 175.800 -0.034 0.000 1.114 208 F CA -0.243 57.550 58.000 -0.345 0.000 1.305 208 F CB -0.144 38.598 39.000 -0.430 0.000 1.086 208 F HN 0.336 nan 8.300 nan 0.000 0.599 209 G N 0.426 109.388 108.800 0.269 0.000 2.316 209 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.203 209 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.203 209 G C 0.420 175.567 174.900 0.412 0.000 0.999 209 G CA -0.493 44.823 45.100 0.360 0.000 0.649 209 G HN 0.301 nan 8.290 nan 0.000 0.489 210 R N -0.567 120.199 120.500 0.442 0.000 2.771 210 R HA 0.580 4.920 4.340 -0.000 0.000 0.274 210 R C 0.961 177.439 176.300 0.296 0.000 0.987 210 R CA -0.435 55.873 56.100 0.348 0.000 0.908 210 R CB 1.682 32.186 30.300 0.340 0.000 1.213 210 R HN 0.260 nan 8.270 nan 0.000 0.468 211 G N 0.238 109.141 108.800 0.173 0.000 3.042 211 G HA2 0.189 4.149 3.960 -0.000 0.000 0.212 211 G HA3 0.189 4.149 3.960 -0.000 0.000 0.212 211 G C 0.372 175.390 174.900 0.196 0.000 1.166 211 G CA 0.168 45.380 45.100 0.188 0.000 0.767 211 G HN 0.610 nan 8.290 nan 0.000 0.546 212 A N 0.224 123.147 122.820 0.172 0.000 2.271 212 A HA 0.670 4.990 4.320 -0.000 0.000 0.288 212 A C 0.446 178.042 177.584 0.020 0.000 1.094 212 A CA -0.622 51.468 52.037 0.089 0.000 0.828 212 A CB 0.426 19.438 19.000 0.019 0.000 1.091 212 A HN 0.413 nan 8.150 nan 0.000 0.493 213 M N 1.576 121.126 119.600 -0.082 0.000 2.261 213 M HA 0.046 4.525 4.480 -0.000 0.000 0.350 213 M C 1.271 177.482 176.300 -0.149 0.000 1.343 213 M CA 1.230 56.444 55.300 -0.143 0.000 1.003 213 M CB 0.467 32.893 32.600 -0.289 0.000 1.848 213 M HN 0.866 nan 8.290 nan 0.000 0.456 214 T N 0.986 115.494 114.554 -0.077 0.000 3.043 214 T HA 0.145 4.495 4.350 -0.000 0.000 0.263 214 T C 0.546 175.135 174.700 -0.185 0.000 1.094 214 T CA 0.969 62.995 62.100 -0.124 0.000 1.127 214 T CB -0.091 68.796 68.868 0.030 0.000 0.905 214 T HN 0.792 nan 8.240 nan 0.000 0.490 215 N N 0.631 119.223 118.700 -0.179 0.000 3.254 215 N HA 0.569 5.309 4.740 -0.000 0.000 0.344 215 N C -0.726 174.674 175.510 -0.183 0.000 1.417 215 N CA -0.559 52.383 53.050 -0.180 0.000 0.646 215 N CB 0.788 39.141 38.487 -0.224 0.000 1.493 215 N HN 0.750 nan 8.380 nan 0.000 0.547 216 H N -3.800 115.104 119.070 -0.277 0.000 2.990 216 H HA 0.346 4.901 4.556 -0.000 0.000 0.336 216 H C -0.347 174.771 175.328 -0.349 0.000 1.306 216 H CA -1.084 54.737 56.048 -0.378 0.000 1.118 216 H CB 0.230 29.889 29.762 -0.173 0.000 1.856 216 H HN 0.474 nan 8.280 nan 0.000 0.538 217 W N 0.672 121.861 121.300 -0.185 0.000 2.315 217 W HA -0.197 4.463 4.660 -0.000 0.000 0.323 217 W C 2.015 178.335 176.519 -0.332 0.000 1.233 217 W CA 1.750 58.989 57.345 -0.176 0.000 1.267 217 W CB -0.601 28.793 29.460 -0.111 0.000 1.160 217 W HN 0.388 nan 8.180 nan 0.000 0.474 218 V N 0.235 119.959 119.914 -0.317 0.000 2.626 218 V HA -0.297 3.823 4.120 -0.000 0.000 0.252 218 V C 1.605 177.373 176.094 -0.542 0.000 1.067 218 V CA 2.219 63.956 62.300 -0.939 0.000 1.081 218 V CB -1.017 30.303 31.823 -0.839 0.000 0.686 218 V HN 0.159 nan 8.190 nan 0.000 0.468 219 D N 0.165 120.211 120.400 -0.591 0.000 2.263 219 D HA -0.159 4.481 4.640 -0.000 0.000 0.208 219 D C 1.856 177.997 176.300 -0.265 0.000 0.971 219 D CA 0.946 54.638 54.000 -0.513 0.000 0.867 219 D CB -0.200 40.045 40.800 -0.926 0.000 0.929 219 D HN 0.481 nan 8.370 nan 0.000 0.492 220 I N 0.695 121.164 120.570 -0.169 0.000 2.423 220 I HA -0.263 3.907 4.170 -0.000 0.000 0.254 220 I C 2.317 178.437 176.117 0.005 0.000 1.151 220 I CA 1.046 62.319 61.300 -0.045 0.000 1.421 220 I CB -0.394 37.637 38.000 0.052 0.000 1.079 220 I HN 0.192 nan 8.210 nan 0.000 0.431 221 K N 0.682 121.111 120.400 0.048 0.000 2.360 221 K HA -0.147 4.173 4.320 -0.000 0.000 0.201 221 K C 1.190 177.804 176.600 0.023 0.000 1.046 221 K CA 1.327 57.671 56.287 0.095 0.000 0.945 221 K CB -0.274 32.337 32.500 0.186 0.000 0.750 221 K HN 0.331 nan 8.250 nan 0.000 0.464 222 N N 1.155 119.843 118.700 -0.021 0.000 2.467 222 N HA 0.043 4.783 4.740 -0.000 0.000 0.184 222 N C 0.373 175.871 175.510 -0.020 0.000 1.106 222 N CA 0.569 53.607 53.050 -0.021 0.000 0.892 222 N CB 0.231 38.695 38.487 -0.038 0.000 0.969 222 N HN 0.331 nan 8.380 nan 0.000 0.454 223 A N 0.966 123.770 122.820 -0.026 0.000 2.386 223 A HA 0.184 4.504 4.320 -0.000 0.000 0.246 223 A C 1.104 178.673 177.584 -0.026 0.000 1.089 223 A CA -0.131 51.887 52.037 -0.031 0.000 0.790 223 A CB 0.406 19.382 19.000 -0.041 0.000 1.042 223 A HN 0.183 nan 8.150 nan 0.000 0.497 224 N N -0.887 117.795 118.700 -0.030 0.000 2.368 224 N HA 0.125 4.865 4.740 -0.000 0.000 0.178 224 N C -0.714 174.772 175.510 -0.041 0.000 1.076 224 N CA 0.652 53.685 53.050 -0.028 0.000 0.889 224 N CB 0.835 39.308 38.487 -0.022 0.000 1.040 224 N HN 0.327 nan 8.380 nan 0.000 0.463 225 V N 1.682 121.561 119.914 -0.059 0.000 2.623 225 V HA 0.336 4.456 4.120 -0.000 0.000 0.304 225 V C -0.526 175.503 176.094 -0.108 0.000 1.054 225 V CA -0.736 61.515 62.300 -0.081 0.000 0.882 225 V CB 2.777 34.541 31.823 -0.099 0.000 1.002 225 V HN -0.282 nan 8.190 nan 0.000 0.424 226 V N 5.716 125.573 119.914 -0.096 0.000 2.370 226 V HA 0.510 4.630 4.120 -0.000 0.000 0.283 226 V C -0.123 175.893 176.094 -0.130 0.000 1.023 226 V CA -0.425 61.818 62.300 -0.095 0.000 0.857 226 V CB 1.590 33.388 31.823 -0.042 0.000 0.985 226 V HN 0.888 nan 8.190 nan 0.000 0.443 227 M N 6.603 126.063 119.600 -0.234 0.000 2.101 227 M HA 0.507 4.987 4.480 -0.000 0.000 0.340 227 M C -0.990 175.244 176.300 -0.110 0.000 1.057 227 M CA 0.011 55.160 55.300 -0.251 0.000 0.984 227 M CB 1.335 33.542 32.600 -0.654 0.000 1.560 227 M HN 0.360 nan 8.290 nan 0.000 0.435 228 V N 7.214 127.095 119.914 -0.055 0.000 2.259 228 V HA 0.482 4.601 4.120 -0.000 0.000 0.267 228 V C -0.514 175.511 176.094 -0.114 0.000 1.051 228 V CA -0.211 62.061 62.300 -0.048 0.000 0.830 228 V CB 0.620 32.435 31.823 -0.012 0.000 1.080 228 V HN 0.954 nan 8.190 nan 0.000 0.467 229 M N 3.541 123.017 119.600 -0.207 0.000 2.267 229 M HA 0.634 5.114 4.480 -0.000 0.000 0.289 229 M C 0.580 176.334 176.300 -0.911 0.000 1.043 229 M CA 0.233 55.323 55.300 -0.351 0.000 0.928 229 M CB 1.897 34.418 32.600 -0.132 0.000 1.613 229 M HN 0.710 nan 8.290 nan 0.000 0.450 230 G N 2.417 110.766 108.800 -0.753 0.000 2.141 230 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.242 230 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.242 230 G C -0.132 174.553 174.900 -0.360 0.000 0.982 230 G CA -0.011 44.510 45.100 -0.966 0.000 0.662 230 G HN 1.295 nan 8.290 nan 0.000 0.527 231 G N -1.088 107.578 108.800 -0.224 0.000 2.576 231 G HA2 0.567 4.527 3.960 -0.000 0.000 0.290 231 G HA3 0.567 4.527 3.960 -0.000 0.000 0.290 231 G C -1.187 173.670 174.900 -0.072 0.000 1.442 231 G CA 0.146 45.205 45.100 -0.069 0.000 0.792 231 G HN 0.871 nan 8.290 nan 0.000 0.491 232 N N -0.299 118.379 118.700 -0.036 0.000 2.703 232 N HA 0.414 5.153 4.740 -0.000 0.000 0.283 232 N C 1.206 176.641 175.510 -0.124 0.000 1.851 232 N CA 0.352 53.338 53.050 -0.106 0.000 0.826 232 N CB 0.973 39.399 38.487 -0.102 0.000 1.239 232 N HN 0.677 nan 8.380 nan 0.000 0.495 233 A N 0.697 123.448 122.820 -0.114 0.000 1.986 233 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 233 A C 2.093 179.456 177.584 -0.369 0.000 1.171 233 A CA 1.872 53.877 52.037 -0.054 0.000 0.640 233 A CB -0.532 18.532 19.000 0.108 0.000 0.811 233 A HN 0.524 nan 8.150 nan 0.000 0.451 234 A N -0.888 121.423 122.820 -0.849 0.000 2.121 234 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 234 A C 1.863 179.237 177.584 -0.350 0.000 1.154 234 A CA 1.484 53.011 52.037 -0.851 0.000 0.679 234 A CB -0.231 18.244 19.000 -0.873 0.000 0.795 234 A HN 0.657 nan 8.150 nan 0.000 0.458 235 E N -1.508 118.540 120.200 -0.253 0.000 2.364 235 E HA 0.217 4.567 4.350 -0.000 0.000 0.203 235 E C 1.899 178.399 176.600 -0.167 0.000 0.888 235 E CA 0.592 56.890 56.400 -0.170 0.000 0.989 235 E CB 0.168 29.798 29.700 -0.116 0.000 0.985 235 E HN 0.512 nan 8.360 nan 0.000 0.499 236 A N 0.555 123.282 122.820 -0.155 0.000 2.115 236 A HA 0.047 4.367 4.320 -0.000 0.000 0.211 236 A C 0.425 177.683 177.584 -0.544 0.000 1.169 236 A CA 0.553 52.425 52.037 -0.275 0.000 0.787 236 A CB -0.058 18.843 19.000 -0.166 0.000 0.858 236 A HN 0.125 nan 8.150 nan 0.000 0.474 237 H N -1.269 117.769 119.070 -0.053 0.000 2.712 237 H HA 0.198 4.754 4.556 -0.000 0.000 0.226 237 H C -2.106 173.156 175.328 -0.110 0.000 1.422 237 H CA -1.092 54.909 56.048 -0.077 0.000 1.270 237 H CB 0.803 30.619 29.762 0.090 0.000 1.891 237 H HN 0.238 nan 8.280 nan 0.000 0.518 238 P HA -0.169 nan 4.420 nan 0.000 0.215 238 P C 1.482 178.758 177.300 -0.040 0.000 1.157 238 P CA 0.989 64.065 63.100 -0.040 0.000 0.868 238 P CB 0.577 32.216 31.700 -0.102 0.000 0.788 239 V N 0.287 120.109 119.914 -0.153 0.000 2.548 239 V HA -0.079 4.041 4.120 -0.000 0.000 0.249 239 V C 2.842 178.796 176.094 -0.233 0.000 1.055 239 V CA 2.201 64.381 62.300 -0.200 0.000 1.065 239 V CB -1.816 29.874 31.823 -0.221 0.000 0.681 239 V HN 0.178 nan 8.190 nan 0.000 0.462 240 G N -0.893 107.702 108.800 -0.342 0.000 2.422 240 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 240 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 240 G C 1.482 176.473 174.900 0.151 0.000 1.140 240 G CA 0.616 45.533 45.100 -0.305 0.000 0.775 240 G HN 0.512 nan 8.290 nan 0.000 0.545 241 F N 1.583 121.515 119.950 -0.029 0.000 2.451 241 F HA 0.101 4.628 4.527 -0.000 0.000 0.299 241 F C 2.457 178.198 175.800 -0.099 0.000 1.101 241 F CA 0.862 58.869 58.000 0.013 0.000 1.436 241 F CB -0.020 38.976 39.000 -0.006 0.000 1.074 241 F HN 0.077 nan 8.300 nan 0.000 0.553 242 R N -0.207 120.101 120.500 -0.319 0.000 2.117 242 R HA -0.244 4.096 4.340 -0.000 0.000 0.243 242 R C 1.950 177.838 176.300 -0.686 0.000 1.143 242 R CA 2.423 58.167 56.100 -0.593 0.000 0.968 242 R CB -0.937 28.866 30.300 -0.830 0.000 0.863 242 R HN 0.497 nan 8.270 nan 0.000 0.444 243 W N 0.062 121.276 121.300 -0.143 0.000 2.425 243 W HA -0.004 4.656 4.660 -0.000 0.000 0.277 243 W C 2.441 178.846 176.519 -0.191 0.000 1.231 243 W CA 0.547 57.822 57.345 -0.115 0.000 1.248 243 W CB -0.110 29.336 29.460 -0.024 0.000 1.117 243 W HN 0.224 nan 8.180 nan 0.000 0.568 244 A N -0.152 122.546 122.820 -0.204 0.000 1.929 244 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 244 A C 1.974 179.314 177.584 -0.406 0.000 1.176 244 A CA 1.225 53.068 52.037 -0.324 0.000 0.628 244 A CB -0.527 18.172 19.000 -0.502 0.000 0.816 244 A HN 0.068 nan 8.150 nan 0.000 0.444 245 M N -0.207 119.047 119.600 -0.576 0.000 2.229 245 M HA -0.052 4.428 4.480 -0.000 0.000 0.264 245 M C 1.777 177.945 176.300 -0.221 0.000 1.063 245 M CA 1.021 56.090 55.300 -0.386 0.000 1.114 245 M CB -1.191 31.178 32.600 -0.385 0.000 1.387 245 M HN 0.380 nan 8.290 nan 0.000 0.420 246 E N 0.409 120.497 120.200 -0.187 0.000 2.047 246 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 246 E C 2.162 178.747 176.600 -0.024 0.000 0.987 246 E CA 1.406 57.765 56.400 -0.068 0.000 0.799 246 E CB -0.334 29.402 29.700 0.060 0.000 0.752 246 E HN 0.441 nan 8.360 nan 0.000 0.449 247 A N 1.914 124.723 122.820 -0.018 0.000 1.883 247 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 247 A C 2.181 179.740 177.584 -0.042 0.000 1.186 247 A CA 2.022 54.048 52.037 -0.019 0.000 0.624 247 A CB -0.465 18.520 19.000 -0.025 0.000 0.822 247 A HN 0.148 nan 8.150 nan 0.000 0.444 248 K N -0.762 119.595 120.400 -0.071 0.000 1.985 248 K HA -0.198 4.122 4.320 -0.000 0.000 0.210 248 K C 1.762 178.335 176.600 -0.044 0.000 1.047 248 K CA 1.770 58.023 56.287 -0.058 0.000 0.932 248 K CB -0.250 32.206 32.500 -0.073 0.000 0.716 248 K HN 0.428 nan 8.250 nan 0.000 0.439 249 N N 0.799 119.466 118.700 -0.055 0.000 2.216 249 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 249 N C 0.977 176.471 175.510 -0.027 0.000 1.017 249 N CA 1.067 54.092 53.050 -0.042 0.000 0.861 249 N CB -0.105 38.349 38.487 -0.055 0.000 0.986 249 N HN 0.277 nan 8.380 nan 0.000 0.428 250 N N -0.451 118.236 118.700 -0.022 0.000 2.184 250 N HA 0.052 4.792 4.740 -0.000 0.000 0.206 250 N C 0.198 175.708 175.510 0.001 0.000 1.151 250 N CA 0.112 53.158 53.050 -0.006 0.000 0.878 250 N CB 0.450 38.938 38.487 0.003 0.000 1.014 250 N HN 0.140 nan 8.380 nan 0.000 0.512 251 N N 1.030 119.728 118.700 -0.003 0.000 2.171 251 N HA 0.025 4.765 4.740 -0.000 0.000 0.212 251 N C -0.850 174.656 175.510 -0.006 0.000 1.184 251 N CA 0.038 53.088 53.050 -0.000 0.000 0.888 251 N CB 0.390 38.878 38.487 0.002 0.000 1.038 251 N HN -0.162 nan 8.380 nan 0.000 0.517 252 D N -0.609 119.785 120.400 -0.010 0.000 2.772 252 D HA -0.184 4.456 4.640 -0.000 0.000 0.233 252 D C -0.317 175.974 176.300 -0.015 0.000 1.143 252 D CA 0.972 54.966 54.000 -0.011 0.000 0.700 252 D CB -1.511 39.285 40.800 -0.006 0.000 1.076 252 D HN 0.449 nan 8.370 nan 0.000 0.430 253 A N -0.346 122.461 122.820 -0.022 0.000 2.287 253 A HA 0.576 4.896 4.320 -0.000 0.000 0.273 253 A C 0.729 178.296 177.584 -0.027 0.000 1.091 253 A CA 0.061 52.082 52.037 -0.027 0.000 0.817 253 A CB 0.783 19.762 19.000 -0.036 0.000 1.069 253 A HN 0.053 nan 8.150 nan 0.000 0.492 254 T N 1.725 116.261 114.554 -0.030 0.000 2.749 254 T HA 0.426 4.776 4.350 -0.000 0.000 0.287 254 T C -0.495 174.187 174.700 -0.030 0.000 0.970 254 T CA -0.104 61.981 62.100 -0.025 0.000 0.980 254 T CB 0.566 69.417 68.868 -0.027 0.000 0.924 254 T HN 0.491 nan 8.240 nan 0.000 0.456 255 L N 5.856 127.071 121.223 -0.014 0.000 2.264 255 L HA 0.613 4.953 4.340 -0.000 0.000 0.289 255 L C -0.964 175.909 176.870 0.004 0.000 1.044 255 L CA -0.317 54.522 54.840 -0.002 0.000 0.807 255 L CB 0.146 42.221 42.059 0.027 0.000 1.192 255 L HN 0.590 nan 8.230 nan 0.000 0.425 256 I N 5.582 126.145 120.570 -0.012 0.000 2.433 256 I HA 0.445 4.614 4.170 -0.000 0.000 0.292 256 I C -0.811 175.300 176.117 -0.010 0.000 1.001 256 I CA -0.827 60.467 61.300 -0.008 0.000 1.119 256 I CB 2.009 39.990 38.000 -0.031 0.000 1.289 256 I HN 0.242 nan 8.210 nan 0.000 0.438 257 V N 7.002 126.922 119.914 0.011 0.000 2.448 257 V HA 0.395 4.515 4.120 -0.000 0.000 0.295 257 V C -0.244 175.836 176.094 -0.022 0.000 1.025 257 V CA -0.675 61.627 62.300 0.003 0.000 0.859 257 V CB 1.979 33.810 31.823 0.013 0.000 0.988 257 V HN 0.388 nan 8.190 nan 0.000 0.431 258 V N 4.682 124.537 119.914 -0.097 0.000 2.350 258 V HA 0.606 4.726 4.120 -0.000 0.000 0.285 258 V C -0.554 175.457 176.094 -0.138 0.000 1.014 258 V CA -0.202 61.980 62.300 -0.198 0.000 0.831 258 V CB 1.386 33.016 31.823 -0.322 0.000 1.000 258 V HN 0.967 nan 8.190 nan 0.000 0.433 259 D N 5.819 126.183 120.400 -0.060 0.000 2.654 259 D HA 0.321 4.961 4.640 -0.000 0.000 0.231 259 D C -2.241 174.117 176.300 0.095 0.000 1.239 259 D CA -1.200 52.816 54.000 0.026 0.000 0.790 259 D CB 3.605 44.443 40.800 0.064 0.000 1.480 259 D HN 0.183 nan 8.370 nan 0.000 0.442 260 P HA -0.085 nan 4.420 nan 0.000 0.219 260 P C 0.121 177.508 177.300 0.145 0.000 1.146 260 P CA 0.973 64.133 63.100 0.101 0.000 0.808 260 P CB 0.560 32.303 31.700 0.072 0.000 0.779 261 R N -1.272 119.290 120.500 0.102 0.000 2.732 261 R HA 0.453 4.793 4.340 -0.000 0.000 0.278 261 R C -0.576 175.752 176.300 0.046 0.000 0.976 261 R CA -1.017 55.115 56.100 0.054 0.000 0.963 261 R CB 0.969 31.201 30.300 -0.112 0.000 1.150 261 R HN -0.093 nan 8.270 nan 0.000 0.478 262 F N 2.823 122.620 119.950 -0.256 0.000 2.405 262 F HA 0.132 4.659 4.527 -0.000 0.000 0.358 262 F C 0.412 176.036 175.800 -0.293 0.000 1.151 262 F CA -0.046 57.620 58.000 -0.556 0.000 1.161 262 F CB 0.353 39.003 39.000 -0.584 0.000 1.245 262 F HN 0.526 nan 8.300 nan 0.000 0.545 263 T N 1.973 116.296 114.554 -0.384 0.000 2.888 263 T HA 0.377 4.727 4.350 -0.000 0.000 0.283 263 T C 1.419 175.980 174.700 -0.232 0.000 1.013 263 T CA -0.725 61.241 62.100 -0.223 0.000 0.938 263 T CB 1.019 69.748 68.868 -0.232 0.000 1.298 263 T HN 0.615 nan 8.240 nan 0.000 0.580 264 R N -0.340 120.065 120.500 -0.158 0.000 2.189 264 R HA -0.009 4.331 4.340 -0.000 0.000 0.223 264 R C 2.456 178.623 176.300 -0.222 0.000 1.092 264 R CA 1.325 57.342 56.100 -0.139 0.000 0.989 264 R CB -0.682 29.557 30.300 -0.101 0.000 0.876 264 R HN 0.687 nan 8.270 nan 0.000 0.457 265 T N 0.663 115.035 114.554 -0.303 0.000 2.812 265 T HA -0.060 4.290 4.350 -0.000 0.000 0.264 265 T C 1.971 176.502 174.700 -0.282 0.000 1.042 265 T CA 1.179 63.074 62.100 -0.341 0.000 1.140 265 T CB -0.147 68.497 68.868 -0.374 0.000 0.870 265 T HN 0.316 nan 8.240 nan 0.000 0.445 266 A N 1.411 123.957 122.820 -0.455 0.000 1.940 266 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 266 A C 2.531 179.725 177.584 -0.649 0.000 1.176 266 A CA 2.129 53.716 52.037 -0.750 0.000 0.631 266 A CB -1.235 16.720 19.000 -1.742 0.000 0.814 266 A HN 0.440 nan 8.150 nan 0.000 0.446 267 S N -0.518 114.931 115.700 -0.418 0.000 2.381 267 S HA -0.212 4.258 4.470 -0.000 0.000 0.230 267 S C 1.676 176.287 174.600 0.020 0.000 1.052 267 S CA 2.420 60.613 58.200 -0.011 0.000 1.068 267 S CB -0.639 62.574 63.200 0.022 0.000 0.918 267 S HN 1.099 nan 8.310 nan 0.000 0.448 268 V N -1.150 118.760 119.914 -0.006 0.000 3.596 268 V HA 0.677 4.797 4.120 -0.000 0.000 0.289 268 V C 0.646 176.767 176.094 0.046 0.000 1.336 268 V CA -0.009 62.319 62.300 0.046 0.000 1.137 268 V CB -0.945 30.941 31.823 0.105 0.000 0.966 268 V HN 0.535 nan 8.190 nan 0.000 0.428 269 A N 0.550 123.375 122.820 0.009 0.000 2.322 269 A HA 0.390 4.709 4.320 -0.000 0.000 0.269 269 A C 1.010 178.621 177.584 0.045 0.000 1.094 269 A CA 0.065 52.117 52.037 0.025 0.000 0.807 269 A CB 0.293 19.293 19.000 0.000 0.000 1.047 269 A HN 0.360 nan 8.150 nan 0.000 0.487 270 D N 0.375 120.799 120.400 0.040 0.000 2.162 270 D HA 0.050 4.689 4.640 -0.000 0.000 0.203 270 D C 0.148 176.485 176.300 0.062 0.000 0.967 270 D CA 1.522 55.548 54.000 0.043 0.000 0.840 270 D CB 0.160 40.974 40.800 0.022 0.000 0.972 270 D HN 0.519 nan 8.370 nan 0.000 0.482 271 I N 0.119 120.728 120.570 0.064 0.000 2.498 271 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 271 I C -1.129 175.065 176.117 0.129 0.000 1.032 271 I CA -1.069 60.282 61.300 0.085 0.000 1.073 271 I CB 2.270 40.294 38.000 0.040 0.000 1.251 271 I HN -0.186 nan 8.210 nan 0.000 0.426 272 Y N 6.299 126.627 120.300 0.046 0.000 2.376 272 Y HA 0.823 5.372 4.550 -0.000 0.000 0.340 272 Y C -0.956 174.992 175.900 0.081 0.000 0.965 272 Y CA -0.867 57.252 58.100 0.032 0.000 1.078 272 Y CB 1.716 40.215 38.460 0.064 0.000 1.193 272 Y HN 0.593 nan 8.280 nan 0.000 0.452 273 A N 8.334 130.668 122.820 -0.810 0.000 2.398 273 A HA 0.749 5.069 4.320 -0.000 0.000 0.301 273 A C -3.121 173.947 177.584 -0.860 0.000 1.041 273 A CA -1.922 49.749 52.037 -0.610 0.000 0.711 273 A CB 1.504 20.438 19.000 -0.109 0.000 1.240 273 A HN 0.518 nan 8.150 nan 0.000 0.420 274 P HA 0.629 nan 4.420 nan 0.000 0.276 274 P C -0.704 176.557 177.300 -0.065 0.000 1.244 274 P CA -0.229 62.737 63.100 -0.223 0.000 0.801 274 P CB 1.501 33.208 31.700 0.012 0.000 1.006 275 I N -0.467 120.098 120.570 -0.008 0.000 2.787 275 I HA 0.354 4.524 4.170 -0.000 0.000 0.294 275 I C -0.550 175.598 176.117 0.052 0.000 1.365 275 I CA -1.225 60.089 61.300 0.024 0.000 1.029 275 I CB 2.436 40.416 38.000 -0.033 0.000 1.313 275 I HN 0.219 nan 8.210 nan 0.000 0.431 276 R N 4.745 125.283 120.500 0.063 0.000 2.390 276 R HA 0.406 4.746 4.340 -0.000 0.000 0.291 276 R C -0.549 175.812 176.300 0.102 0.000 1.070 276 R CA -0.220 55.927 56.100 0.078 0.000 1.014 276 R CB 0.976 31.318 30.300 0.070 0.000 1.007 276 R HN 0.730 nan 8.270 nan 0.000 0.466 277 S N 2.198 117.973 115.700 0.124 0.000 2.563 277 S HA 0.172 4.642 4.470 -0.000 0.000 0.294 277 S C 1.004 175.730 174.600 0.210 0.000 1.279 277 S CA 0.920 59.234 58.200 0.189 0.000 1.069 277 S CB 0.922 64.235 63.200 0.188 0.000 0.828 277 S HN 0.948 nan 8.310 nan 0.000 0.497 278 G N 2.051 110.978 108.800 0.211 0.000 2.157 278 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.248 278 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.248 278 G C 0.507 175.474 174.900 0.113 0.000 0.979 278 G CA 0.479 45.651 45.100 0.119 0.000 0.650 278 G HN 1.098 nan 8.290 nan 0.000 0.529 279 T N -2.880 111.734 114.554 0.100 0.000 3.132 279 T HA 0.375 4.725 4.350 -0.000 0.000 0.274 279 T C 1.175 175.901 174.700 0.044 0.000 1.011 279 T CA 0.973 63.141 62.100 0.114 0.000 0.899 279 T CB 0.351 69.240 68.868 0.036 0.000 1.089 279 T HN 0.070 nan 8.240 nan 0.000 0.543 280 D N 1.900 122.300 120.400 -0.000 0.000 2.133 280 D HA -0.040 4.599 4.640 -0.000 0.000 0.195 280 D C 1.681 177.929 176.300 -0.087 0.000 0.997 280 D CA 1.194 55.177 54.000 -0.029 0.000 0.840 280 D CB -0.286 40.464 40.800 -0.083 0.000 0.947 280 D HN 0.427 nan 8.370 nan 0.000 0.452 281 I N 0.597 121.098 120.570 -0.115 0.000 2.335 281 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 281 I C 2.119 178.117 176.117 -0.198 0.000 1.129 281 I CA 1.026 62.226 61.300 -0.166 0.000 1.402 281 I CB -0.250 37.690 38.000 -0.101 0.000 1.069 281 I HN 0.080 nan 8.210 nan 0.000 0.424 282 T N 0.666 115.159 114.554 -0.102 0.000 2.668 282 T HA -0.192 4.158 4.350 -0.000 0.000 0.262 282 T C 1.678 176.315 174.700 -0.105 0.000 1.045 282 T CA 1.376 63.407 62.100 -0.116 0.000 1.152 282 T CB -0.466 68.287 68.868 -0.192 0.000 0.864 282 T HN 0.238 nan 8.240 nan 0.000 0.419 283 F N 1.851 121.695 119.950 -0.177 0.000 2.091 283 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 283 F C 1.972 177.785 175.800 0.022 0.000 1.103 283 F CA 1.254 59.194 58.000 -0.100 0.000 1.228 283 F CB -0.610 38.390 39.000 -0.000 0.000 0.984 283 F HN 0.056 nan 8.300 nan 0.000 0.477 284 L N -0.896 120.497 121.223 0.284 0.000 2.093 284 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 284 L C 2.471 179.299 176.870 -0.070 0.000 1.085 284 L CA 1.352 56.268 54.840 0.127 0.000 0.755 284 L CB -0.909 41.091 42.059 -0.099 0.000 0.904 284 L HN 0.049 nan 8.230 nan 0.000 0.435 285 S N 0.145 115.674 115.700 -0.285 0.000 2.399 285 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 285 S C 2.041 176.499 174.600 -0.236 0.000 1.022 285 S CA 1.141 59.053 58.200 -0.479 0.000 0.983 285 S CB -0.523 61.918 63.200 -1.264 0.000 0.803 285 S HN 0.613 nan 8.310 nan 0.000 0.480 286 G N 1.292 110.041 108.800 -0.086 0.000 2.422 286 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 286 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 286 G C 1.418 176.472 174.900 0.256 0.000 1.146 286 G CA 0.883 46.067 45.100 0.140 0.000 0.769 286 G HN 0.433 nan 8.290 nan 0.000 0.547 287 V N 0.869 120.895 119.914 0.185 0.000 2.358 287 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 287 V C 2.907 179.055 176.094 0.090 0.000 1.047 287 V CA 1.307 63.655 62.300 0.080 0.000 1.035 287 V CB -0.410 31.469 31.823 0.092 0.000 0.658 287 V HN 0.336 nan 8.190 nan 0.000 0.452 288 L N -0.301 120.939 121.223 0.028 0.000 2.012 288 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 288 L C 2.763 179.632 176.870 -0.002 0.000 1.073 288 L CA 2.046 56.879 54.840 -0.011 0.000 0.748 288 L CB -0.635 41.364 42.059 -0.100 0.000 0.891 288 L HN 0.265 nan 8.230 nan 0.000 0.431 289 R N -0.759 119.749 120.500 0.012 0.000 2.081 289 R HA -0.250 4.090 4.340 -0.000 0.000 0.235 289 R C 2.464 178.796 176.300 0.052 0.000 1.131 289 R CA 1.824 57.932 56.100 0.013 0.000 0.960 289 R CB -0.449 29.881 30.300 0.051 0.000 0.856 289 R HN 0.296 nan 8.270 nan 0.000 0.436 290 Y N 1.114 121.406 120.300 -0.014 0.000 2.181 290 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 290 Y C 1.916 177.799 175.900 -0.029 0.000 1.146 290 Y CA 1.667 59.748 58.100 -0.032 0.000 1.164 290 Y CB -0.164 38.244 38.460 -0.086 0.000 0.982 290 Y HN 0.033 nan 8.280 nan 0.000 0.515 291 L N -0.565 120.775 121.223 0.194 0.000 2.056 291 L HA -0.225 4.115 4.340 -0.000 0.000 0.207 291 L C 2.368 179.265 176.870 0.044 0.000 1.078 291 L CA 1.427 56.343 54.840 0.127 0.000 0.749 291 L CB -0.555 41.589 42.059 0.141 0.000 0.901 291 L HN 0.266 nan 8.230 nan 0.000 0.433 292 I N -0.166 120.419 120.570 0.026 0.000 2.142 292 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 292 I C 2.617 178.731 176.117 -0.006 0.000 1.078 292 I CA 1.483 62.800 61.300 0.028 0.000 1.343 292 I CB -0.303 37.619 38.000 -0.130 0.000 1.046 292 I HN 0.320 nan 8.210 nan 0.000 0.405 293 E N 1.251 121.405 120.200 -0.077 0.000 2.110 293 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 293 E C 1.541 178.055 176.600 -0.143 0.000 0.988 293 E CA 1.260 57.597 56.400 -0.106 0.000 0.804 293 E CB 0.066 29.685 29.700 -0.135 0.000 0.745 293 E HN 0.467 nan 8.360 nan 0.000 0.458 294 N N 0.688 119.248 118.700 -0.234 0.000 2.336 294 N HA -0.053 4.687 4.740 -0.000 0.000 0.189 294 N C -0.116 175.338 175.510 -0.093 0.000 1.113 294 N CA 0.296 53.214 53.050 -0.220 0.000 0.858 294 N CB 0.240 38.479 38.487 -0.414 0.000 0.970 294 N HN 0.152 nan 8.380 nan 0.000 0.471 295 N N 1.278 119.961 118.700 -0.028 0.000 2.740 295 N HA -0.146 4.594 4.740 -0.000 0.000 0.248 295 N C -1.073 174.448 175.510 0.018 0.000 1.062 295 N CA 0.593 53.660 53.050 0.027 0.000 0.704 295 N CB -0.729 37.768 38.487 0.016 0.000 0.968 295 N HN 0.067 nan 8.380 nan 0.000 0.547 296 K N 0.902 121.317 120.400 0.024 0.000 2.403 296 K HA 0.340 4.660 4.320 -0.000 0.000 0.235 296 K C 0.407 177.036 176.600 0.049 0.000 1.142 296 K CA -0.249 56.059 56.287 0.036 0.000 1.114 296 K CB -0.480 32.060 32.500 0.066 0.000 1.777 296 K HN 0.587 nan 8.250 nan 0.000 0.424 297 I N -2.223 118.365 120.570 0.028 0.000 3.095 297 I HA 0.437 4.606 4.170 -0.000 0.000 0.310 297 I C -0.496 175.588 176.117 -0.055 0.000 1.196 297 I CA -1.076 60.232 61.300 0.014 0.000 0.985 297 I CB 2.078 40.121 38.000 0.071 0.000 1.250 297 I HN -0.120 nan 8.210 nan 0.000 0.446 298 N N 2.733 121.366 118.700 -0.112 0.000 2.801 298 N HA 0.387 5.127 4.740 -0.000 0.000 0.235 298 N C 0.676 176.115 175.510 -0.118 0.000 1.069 298 N CA 0.244 53.188 53.050 -0.176 0.000 0.946 298 N CB 1.346 39.608 38.487 -0.376 0.000 1.212 298 N HN 0.876 nan 8.380 nan 0.000 0.509 299 A N 3.222 125.985 122.820 -0.094 0.000 1.892 299 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 299 A C 1.840 179.371 177.584 -0.088 0.000 1.188 299 A CA 1.263 53.225 52.037 -0.125 0.000 0.631 299 A CB -0.220 18.714 19.000 -0.110 0.000 0.822 299 A HN 0.612 nan 8.150 nan 0.000 0.447 300 E N -1.366 118.842 120.200 0.013 0.000 2.106 300 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 300 E C 1.798 178.461 176.600 0.106 0.000 0.984 300 E CA 1.314 57.788 56.400 0.124 0.000 0.806 300 E CB -0.542 29.324 29.700 0.278 0.000 0.750 300 E HN 0.801 nan 8.360 nan 0.000 0.458 301 Y N 1.552 121.773 120.300 -0.131 0.000 2.114 301 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 301 Y C 2.338 178.176 175.900 -0.104 0.000 1.143 301 Y CA 1.259 59.242 58.100 -0.196 0.000 1.135 301 Y CB -0.381 37.867 38.460 -0.352 0.000 0.980 301 Y HN -0.198 nan 8.280 nan 0.000 0.499 302 V N 1.012 121.007 119.914 0.135 0.000 2.295 302 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 302 V C 2.452 178.490 176.094 -0.094 0.000 1.049 302 V CA 2.391 64.718 62.300 0.046 0.000 1.024 302 V CB -0.739 31.009 31.823 -0.126 0.000 0.648 302 V HN 0.389 nan 8.190 nan 0.000 0.447 303 K N -1.069 119.197 120.400 -0.224 0.000 2.103 303 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 303 K C 2.104 178.454 176.600 -0.416 0.000 1.048 303 K CA 1.798 57.872 56.287 -0.356 0.000 0.930 303 K CB -0.137 32.080 32.500 -0.472 0.000 0.716 303 K HN 0.610 nan 8.250 nan 0.000 0.444 304 H N -1.888 117.091 119.070 -0.151 0.000 2.476 304 H HA 0.002 4.557 4.556 -0.000 0.000 0.292 304 H C 1.297 176.661 175.328 0.059 0.000 1.019 304 H CA 0.769 56.742 56.048 -0.125 0.000 1.330 304 H CB 0.239 29.823 29.762 -0.295 0.000 1.451 304 H HN 0.217 nan 8.280 nan 0.000 0.535 305 Y N 1.638 121.981 120.300 0.072 0.000 2.482 305 Y HA 0.069 4.619 4.550 -0.000 0.000 0.270 305 Y C 1.527 177.501 175.900 0.122 0.000 1.152 305 Y CA -0.042 58.089 58.100 0.052 0.000 1.292 305 Y CB -0.050 38.264 38.460 -0.244 0.000 1.070 305 Y HN 0.105 nan 8.280 nan 0.000 0.528 306 T N -2.023 112.663 114.554 0.221 0.000 2.919 306 T HA 0.240 4.589 4.350 -0.000 0.000 0.282 306 T C 0.698 175.461 174.700 0.106 0.000 1.020 306 T CA -0.742 61.449 62.100 0.152 0.000 0.994 306 T CB 1.254 70.230 68.868 0.179 0.000 1.180 306 T HN 0.149 nan 8.240 nan 0.000 0.566 307 N N -0.093 118.672 118.700 0.107 0.000 2.362 307 N HA 0.190 4.930 4.740 -0.000 0.000 0.204 307 N C 1.598 177.168 175.510 0.100 0.000 1.166 307 N CA 0.343 53.444 53.050 0.086 0.000 0.831 307 N CB -0.656 37.923 38.487 0.155 0.000 1.008 307 N HN 0.749 nan 8.380 nan 0.000 0.472 308 A N 1.024 123.921 122.820 0.128 0.000 1.927 308 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 308 A C 2.328 179.976 177.584 0.107 0.000 1.185 308 A CA 2.302 54.449 52.037 0.183 0.000 0.639 308 A CB -0.994 18.074 19.000 0.114 0.000 0.820 308 A HN 0.609 nan 8.150 nan 0.000 0.451 309 S N -1.606 114.095 115.700 0.002 0.000 2.528 309 S HA 0.284 4.754 4.470 -0.000 0.000 0.219 309 S C 0.418 174.978 174.600 -0.067 0.000 0.985 309 S CA -0.286 57.892 58.200 -0.037 0.000 0.914 309 S CB -0.469 62.680 63.200 -0.085 0.000 0.776 309 S HN 0.153 nan 8.310 nan 0.000 0.526 310 L N 2.245 123.410 121.223 -0.097 0.000 2.461 310 L HA 0.327 4.667 4.340 -0.000 0.000 0.272 310 L C 0.178 176.976 176.870 -0.120 0.000 1.197 310 L CA 0.219 54.945 54.840 -0.190 0.000 0.836 310 L CB 0.267 42.051 42.059 -0.457 0.000 1.105 310 L HN 0.315 nan 8.230 nan 0.000 0.477 311 L N 3.153 124.294 121.223 -0.137 0.000 2.289 311 L HA 0.455 4.795 4.340 -0.000 0.000 0.285 311 L C -0.417 176.418 176.870 -0.058 0.000 1.049 311 L CA -0.813 53.936 54.840 -0.152 0.000 0.804 311 L CB 1.550 43.456 42.059 -0.254 0.000 1.195 311 L HN 0.241 nan 8.230 nan 0.000 0.428 312 V N 3.617 123.452 119.914 -0.131 0.000 2.567 312 V HA 0.306 4.425 4.120 -0.000 0.000 0.289 312 V C 0.620 176.706 176.094 -0.013 0.000 1.049 312 V CA -0.804 61.389 62.300 -0.179 0.000 0.969 312 V CB 1.425 32.927 31.823 -0.535 0.000 0.995 312 V HN 0.729 nan 8.190 nan 0.000 0.471 313 R N 2.244 122.779 120.500 0.058 0.000 2.644 313 R HA -0.063 4.276 4.340 -0.000 0.000 0.265 313 R C 0.627 177.033 176.300 0.177 0.000 0.985 313 R CA 0.033 56.208 56.100 0.125 0.000 1.097 313 R CB 0.205 30.598 30.300 0.155 0.000 0.931 313 R HN 0.673 nan 8.270 nan 0.000 0.419 314 D N 1.507 122.000 120.400 0.154 0.000 2.224 314 D HA -0.126 4.514 4.640 -0.000 0.000 0.205 314 D C 0.954 177.359 176.300 0.174 0.000 0.965 314 D CA 1.264 55.361 54.000 0.161 0.000 0.852 314 D CB -0.065 40.812 40.800 0.127 0.000 0.947 314 D HN 0.581 nan 8.370 nan 0.000 0.494 315 D N -0.224 120.283 120.400 0.179 0.000 2.349 315 D HA -0.118 4.522 4.640 -0.000 0.000 0.224 315 D C 0.571 177.016 176.300 0.241 0.000 1.029 315 D CA -0.382 53.722 54.000 0.173 0.000 0.879 315 D CB -0.941 39.944 40.800 0.143 0.000 0.906 315 D HN 0.118 nan 8.370 nan 0.000 0.528 316 F N 1.736 121.802 119.950 0.193 0.000 2.484 316 F HA 0.446 4.973 4.527 -0.000 0.000 0.360 316 F C -0.166 175.788 175.800 0.256 0.000 1.101 316 F CA -0.660 57.502 58.000 0.270 0.000 1.251 316 F CB 0.649 39.802 39.000 0.255 0.000 1.132 316 F HN 0.082 nan 8.300 nan 0.000 0.570 317 A N 5.705 128.041 122.820 -0.806 0.000 2.599 317 A HA 0.735 5.055 4.320 -0.000 0.000 0.290 317 A C -2.219 175.088 177.584 -0.462 0.000 1.101 317 A CA -0.590 51.106 52.037 -0.568 0.000 0.674 317 A CB 1.001 19.904 19.000 -0.163 0.000 1.277 317 A HN 0.934 nan 8.150 nan 0.000 0.419 318 F N 0.217 119.948 119.950 -0.365 0.000 2.588 318 F HA 0.730 5.257 4.527 -0.000 0.000 0.314 318 F C -0.781 174.893 175.800 -0.211 0.000 1.134 318 F CA -0.044 57.749 58.000 -0.345 0.000 0.961 318 F CB 1.706 40.496 39.000 -0.349 0.000 1.239 318 F HN 0.762 nan 8.300 nan 0.000 0.448 319 E N 4.593 124.132 120.200 -1.102 0.000 2.347 319 E HA 0.235 4.585 4.350 -0.000 0.000 0.285 319 E C -1.379 174.713 176.600 -0.846 0.000 0.925 319 E CA -0.533 55.406 56.400 -0.767 0.000 0.779 319 E CB 1.461 30.949 29.700 -0.353 0.000 1.233 319 E HN 0.710 nan 8.360 nan 0.000 0.414 320 D N 3.418 123.443 120.400 -0.625 0.000 2.697 320 D HA -0.208 4.432 4.640 -0.000 0.000 0.235 320 D C 0.674 176.644 176.300 -0.551 0.000 1.167 320 D CA 2.509 56.277 54.000 -0.388 0.000 0.656 320 D CB -1.128 39.530 40.800 -0.237 0.000 1.025 320 D HN 0.979 nan 8.370 nan 0.000 0.419 321 G N -1.118 107.183 108.800 -0.831 0.000 2.205 321 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.261 321 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.261 321 G C 0.306 174.981 174.900 -0.375 0.000 0.980 321 G CA 0.486 45.087 45.100 -0.832 0.000 0.632 321 G HN 0.637 nan 8.290 nan 0.000 0.533 322 L N -0.331 120.515 121.223 -0.629 0.000 2.386 322 L HA 0.744 5.084 4.340 -0.000 0.000 0.271 322 L C 0.101 176.845 176.870 -0.210 0.000 0.993 322 L CA -1.275 53.427 54.840 -0.230 0.000 0.819 322 L CB 1.542 43.476 42.059 -0.207 0.000 1.294 322 L HN -0.014 nan 8.230 nan 0.000 0.414 323 F N -0.111 120.081 119.950 0.404 0.000 2.368 323 F HA 0.328 4.855 4.527 -0.000 0.000 0.315 323 F C 1.091 177.137 175.800 0.410 0.000 1.145 323 F CA -0.192 57.984 58.000 0.294 0.000 1.095 323 F CB 1.209 40.185 39.000 -0.040 0.000 1.286 323 F HN 0.473 nan 8.300 nan 0.000 0.530 324 S N -0.075 115.923 115.700 0.497 0.000 2.573 324 S HA 0.413 4.883 4.470 -0.000 0.000 0.277 324 S C 0.850 175.820 174.600 0.616 0.000 1.346 324 S CA -0.133 58.328 58.200 0.434 0.000 1.034 324 S CB 0.653 64.025 63.200 0.287 0.000 0.879 324 S HN 1.418 nan 8.310 nan 0.000 0.528 325 G N -0.245 108.807 108.800 0.421 0.000 2.157 325 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.239 325 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.239 325 G C -0.253 174.864 174.900 0.362 0.000 0.982 325 G CA 0.027 45.313 45.100 0.310 0.000 0.650 325 G HN 0.912 nan 8.290 nan 0.000 0.527 326 Y N 2.112 122.554 120.300 0.237 0.000 2.465 326 Y HA 0.466 5.016 4.550 -0.000 0.000 0.331 326 Y C 0.152 175.984 175.900 -0.113 0.000 1.102 326 Y CA -0.528 57.501 58.100 -0.118 0.000 1.358 326 Y CB 1.025 39.369 38.460 -0.193 0.000 1.213 326 Y HN 0.145 nan 8.280 nan 0.000 0.525 327 D N 5.306 125.267 120.400 -0.732 0.000 2.472 327 D HA 0.282 4.922 4.640 -0.000 0.000 0.234 327 D C 0.568 176.346 176.300 -0.870 0.000 1.088 327 D CA 0.017 53.683 54.000 -0.557 0.000 0.882 327 D CB 0.997 41.599 40.800 -0.329 0.000 1.037 327 D HN 0.718 nan 8.370 nan 0.000 0.520 328 A N 3.948 126.352 122.820 -0.692 0.000 2.131 328 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 328 A C 1.722 179.145 177.584 -0.269 0.000 1.158 328 A CA 1.120 52.880 52.037 -0.462 0.000 0.665 328 A CB -0.057 18.888 19.000 -0.091 0.000 0.795 328 A HN 0.517 nan 8.150 nan 0.000 0.460 329 E N -0.355 119.704 120.200 -0.235 0.000 2.140 329 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 329 E C 1.614 178.125 176.600 -0.148 0.000 0.973 329 E CA 0.798 57.111 56.400 -0.145 0.000 0.829 329 E CB -0.176 29.459 29.700 -0.108 0.000 0.781 329 E HN 0.623 nan 8.360 nan 0.000 0.466 330 K N 0.406 120.687 120.400 -0.200 0.000 2.361 330 K HA 0.137 4.457 4.320 -0.000 0.000 0.196 330 K C -0.050 176.443 176.600 -0.179 0.000 1.039 330 K CA -0.080 56.111 56.287 -0.160 0.000 1.001 330 K CB 0.383 32.789 32.500 -0.157 0.000 0.795 330 K HN -0.068 nan 8.250 nan 0.000 0.495 331 R N 1.388 121.716 120.500 -0.287 0.000 3.264 331 R HA -0.163 4.177 4.340 -0.000 0.000 0.251 331 R C -0.871 175.339 176.300 -0.151 0.000 0.971 331 R CA 0.570 56.534 56.100 -0.228 0.000 0.658 331 R CB -1.064 29.199 30.300 -0.061 0.000 1.095 331 R HN 0.221 nan 8.270 nan 0.000 0.443 332 Q N -0.393 119.240 119.800 -0.277 0.000 2.462 332 Q HA 0.386 4.726 4.340 -0.000 0.000 0.285 332 Q C -1.094 174.806 176.000 -0.167 0.000 1.035 332 Q CA -0.643 55.091 55.803 -0.115 0.000 0.799 332 Q CB 1.609 30.302 28.738 -0.075 0.000 1.452 332 Q HN 0.183 nan 8.270 nan 0.000 0.404 333 Y N 0.083 120.393 120.300 0.017 0.000 2.457 333 Y HA 0.233 4.783 4.550 -0.000 0.000 0.333 333 Y C 0.330 176.089 175.900 -0.235 0.000 1.119 333 Y CA -0.634 57.450 58.100 -0.025 0.000 1.143 333 Y CB 1.340 39.811 38.460 0.018 0.000 1.230 333 Y HN 0.423 nan 8.280 nan 0.000 0.469 334 D N 2.158 122.527 120.400 -0.052 0.000 2.313 334 D HA 0.131 4.771 4.640 -0.000 0.000 0.239 334 D C -0.314 175.727 176.300 -0.433 0.000 1.142 334 D CA -0.262 53.632 54.000 -0.177 0.000 0.847 334 D CB 0.971 41.716 40.800 -0.092 0.000 1.082 334 D HN 0.557 nan 8.370 nan 0.000 0.480 335 K N 1.951 121.984 120.400 -0.611 0.000 2.469 335 K HA 0.092 4.412 4.320 -0.000 0.000 0.201 335 K C 1.450 177.735 176.600 -0.525 0.000 1.028 335 K CA -0.125 55.525 56.287 -1.062 0.000 1.170 335 K CB 0.392 32.385 32.500 -0.845 0.000 0.874 335 K HN 0.270 nan 8.250 nan 0.000 0.507 336 S N 0.854 116.391 115.700 -0.272 0.000 2.383 336 S HA -0.163 4.307 4.470 -0.000 0.000 0.229 336 S C 2.023 176.627 174.600 0.006 0.000 1.030 336 S CA 1.848 59.989 58.200 -0.097 0.000 1.002 336 S CB -0.140 63.029 63.200 -0.052 0.000 0.829 336 S HN 0.482 nan 8.310 nan 0.000 0.467 337 S N -0.237 115.502 115.700 0.065 0.000 2.522 337 S HA -0.011 4.459 4.470 -0.000 0.000 0.227 337 S C 0.178 175.066 174.600 0.481 0.000 0.986 337 S CA -0.069 58.297 58.200 0.276 0.000 0.929 337 S CB -0.433 62.981 63.200 0.357 0.000 0.769 337 S HN 0.561 nan 8.310 nan 0.000 0.529 338 W N 3.705 125.081 121.300 0.127 0.000 1.395 338 W HA 0.572 5.232 4.660 -0.000 0.000 0.451 338 W C 0.232 176.729 176.519 -0.036 0.000 0.619 338 W CA -1.659 55.710 57.345 0.040 0.000 2.212 338 W CB -1.705 27.634 29.460 -0.201 0.000 1.537 338 W HN 0.260 nan 8.180 nan 0.000 0.275 339 N N -0.429 118.386 118.700 0.192 0.000 2.825 339 N HA 0.183 4.923 4.740 -0.000 0.000 0.253 339 N C -1.128 174.350 175.510 -0.055 0.000 1.426 339 N CA -0.800 52.232 53.050 -0.031 0.000 0.851 339 N CB 1.365 39.850 38.487 -0.004 0.000 1.470 339 N HN -0.230 nan 8.380 nan 0.000 0.517 340 Y N 1.199 121.531 120.300 0.055 0.000 2.314 340 Y HA 0.180 4.730 4.550 -0.000 0.000 0.334 340 Y C 1.131 177.033 175.900 0.004 0.000 1.266 340 Y CA -0.057 58.038 58.100 -0.010 0.000 1.391 340 Y CB 0.376 38.840 38.460 0.007 0.000 1.306 340 Y HN 0.152 nan 8.280 nan 0.000 0.558 341 Q N 1.534 121.429 119.800 0.159 0.000 2.293 341 Q HA 0.409 4.749 4.340 -0.000 0.000 0.251 341 Q C -1.051 175.003 176.000 0.091 0.000 0.930 341 Q CA -0.351 55.506 55.803 0.090 0.000 0.893 341 Q CB 0.831 29.592 28.738 0.039 0.000 1.215 341 Q HN 0.481 nan 8.270 nan 0.000 0.425 342 L N 2.467 123.735 121.223 0.074 0.000 2.322 342 L HA 0.296 4.636 4.340 -0.000 0.000 0.279 342 L C 0.177 177.072 176.870 0.042 0.000 1.036 342 L CA -0.930 53.948 54.840 0.064 0.000 0.807 342 L CB 0.987 43.076 42.059 0.049 0.000 1.226 342 L HN 0.747 nan 8.230 nan 0.000 0.433 343 D N 1.060 121.486 120.400 0.044 0.000 2.440 343 D HA 0.028 4.668 4.640 -0.000 0.000 0.269 343 D C 0.741 177.051 176.300 0.016 0.000 1.249 343 D CA -0.397 53.626 54.000 0.038 0.000 1.055 343 D CB 0.495 41.331 40.800 0.060 0.000 1.104 343 D HN 0.419 nan 8.370 nan 0.000 0.561 344 E N -0.390 119.819 120.200 0.016 0.000 2.204 344 E HA -0.148 4.201 4.350 -0.000 0.000 0.194 344 E C 0.856 177.441 176.600 -0.025 0.000 0.989 344 E CA 0.892 57.293 56.400 0.002 0.000 0.824 344 E CB -0.817 28.892 29.700 0.014 0.000 0.756 344 E HN 0.571 nan 8.360 nan 0.000 0.477 345 N N -0.198 118.482 118.700 -0.034 0.000 2.280 345 N HA 0.173 4.913 4.740 -0.000 0.000 0.192 345 N C 0.694 176.007 175.510 -0.328 0.000 1.109 345 N CA 0.431 53.408 53.050 -0.121 0.000 0.855 345 N CB 0.998 39.476 38.487 -0.014 0.000 0.974 345 N HN 0.283 nan 8.380 nan 0.000 0.482 346 G N -0.219 108.450 108.800 -0.218 0.000 2.141 346 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.231 346 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.231 346 G C -0.530 174.233 174.900 -0.229 0.000 0.984 346 G CA -0.198 44.760 45.100 -0.237 0.000 0.660 346 G HN 0.219 nan 8.290 nan 0.000 0.525 347 Y N 0.451 120.765 120.300 0.023 0.000 2.488 347 Y HA 0.737 5.287 4.550 -0.000 0.000 0.325 347 Y C 0.923 176.824 175.900 0.002 0.000 1.204 347 Y CA -0.920 57.190 58.100 0.017 0.000 1.229 347 Y CB 1.124 39.587 38.460 0.005 0.000 1.274 347 Y HN 0.451 nan 8.280 nan 0.000 0.493 348 A N 2.234 125.147 122.820 0.155 0.000 2.498 348 A HA 0.191 4.511 4.320 -0.000 0.000 0.239 348 A C 0.064 177.629 177.584 -0.031 0.000 1.068 348 A CA -0.472 51.560 52.037 -0.009 0.000 0.766 348 A CB -0.145 18.639 19.000 -0.361 0.000 1.003 348 A HN 0.698 nan 8.150 nan 0.000 0.497 349 K N 1.675 122.054 120.400 -0.034 0.000 2.237 349 K HA 0.374 4.694 4.320 -0.000 0.000 0.270 349 K C -0.119 176.419 176.600 -0.104 0.000 1.015 349 K CA 0.024 56.284 56.287 -0.046 0.000 0.949 349 K CB 0.833 33.309 32.500 -0.041 0.000 0.976 349 K HN 0.722 nan 8.250 nan 0.000 0.472 350 R N 1.110 121.561 120.500 -0.082 0.000 2.854 350 R HA 0.231 4.571 4.340 -0.000 0.000 0.271 350 R C -1.208 175.052 176.300 -0.066 0.000 0.994 350 R CA -0.909 55.136 56.100 -0.092 0.000 0.945 350 R CB 1.606 31.861 30.300 -0.074 0.000 1.194 350 R HN 0.563 nan 8.270 nan 0.000 0.476 351 D N 1.069 121.433 120.400 -0.059 0.000 2.358 351 D HA 0.140 4.780 4.640 -0.000 0.000 0.253 351 D C -0.233 176.050 176.300 -0.028 0.000 1.288 351 D CA -0.369 53.621 54.000 -0.017 0.000 0.950 351 D CB 1.237 42.055 40.800 0.030 0.000 1.197 351 D HN 0.401 nan 8.370 nan 0.000 0.550 352 E N 0.474 120.649 120.200 -0.041 0.000 2.333 352 E HA -0.099 4.251 4.350 -0.000 0.000 0.198 352 E C 1.893 178.448 176.600 -0.075 0.000 1.007 352 E CA 1.496 57.851 56.400 -0.075 0.000 0.845 352 E CB -0.047 29.614 29.700 -0.066 0.000 0.766 352 E HN 0.639 nan 8.360 nan 0.000 0.507 353 T N -1.564 112.970 114.554 -0.034 0.000 3.067 353 T HA 0.014 4.364 4.350 -0.000 0.000 0.261 353 T C 1.105 175.788 174.700 -0.028 0.000 1.110 353 T CA 0.137 62.220 62.100 -0.028 0.000 1.113 353 T CB -0.279 68.591 68.868 0.003 0.000 0.917 353 T HN 0.222 nan 8.240 nan 0.000 0.499 354 L N 1.026 122.243 121.223 -0.010 0.000 3.865 354 L HA -0.214 4.126 4.340 -0.000 0.000 0.408 354 L C 1.436 178.368 176.870 0.104 0.000 1.209 354 L CA 0.765 55.622 54.840 0.029 0.000 0.940 354 L CB -2.891 39.114 42.059 -0.089 0.000 1.971 354 L HN 0.671 nan 8.230 nan 0.000 0.899 355 T N -6.161 108.455 114.554 0.103 0.000 2.990 355 T HA 0.020 4.370 4.350 -0.000 0.000 0.249 355 T C 0.661 175.443 174.700 0.137 0.000 1.039 355 T CA 0.321 62.485 62.100 0.107 0.000 1.036 355 T CB -0.009 68.897 68.868 0.064 0.000 0.994 355 T HN 0.512 nan 8.240 nan 0.000 0.489 356 H N 4.091 123.192 119.070 0.052 0.000 3.034 356 H HA 0.137 4.693 4.556 -0.000 0.000 0.324 356 H C -1.198 174.169 175.328 0.065 0.000 1.015 356 H CA -1.291 54.788 56.048 0.051 0.000 1.429 356 H CB 1.089 30.875 29.762 0.040 0.000 1.429 356 H HN -0.022 nan 8.280 nan 0.000 0.585 357 P HA -0.194 nan 4.420 nan 0.000 0.219 357 P C 0.675 178.139 177.300 0.273 0.000 1.146 357 P CA 1.167 64.369 63.100 0.171 0.000 0.808 357 P CB 0.370 32.108 31.700 0.063 0.000 0.779 358 R N -0.276 120.521 120.500 0.496 0.000 2.334 358 R HA 0.102 4.442 4.340 -0.000 0.000 0.220 358 R C 0.961 177.292 176.300 0.053 0.000 0.917 358 R CA -0.345 55.889 56.100 0.225 0.000 1.073 358 R CB -1.849 28.547 30.300 0.160 0.000 1.056 358 R HN 0.359 nan 8.270 nan 0.000 0.506 359 C N -1.581 117.779 119.300 0.100 0.000 2.657 359 C HA 0.239 4.699 4.460 -0.000 0.000 0.404 359 C C 2.368 177.396 174.990 0.063 0.000 1.291 359 C CA -1.149 57.892 59.018 0.039 0.000 2.218 359 C CB 0.613 28.409 27.740 0.093 0.000 2.687 359 C HN 0.143 nan 8.230 nan 0.000 0.634 360 V N 2.323 122.252 119.914 0.025 0.000 2.278 360 V HA -0.263 3.857 4.120 -0.000 0.000 0.251 360 V C 2.219 178.444 176.094 0.219 0.000 1.062 360 V CA 2.885 65.227 62.300 0.071 0.000 1.038 360 V CB -1.071 30.823 31.823 0.117 0.000 0.646 360 V HN 1.056 nan 8.190 nan 0.000 0.447 361 W N 1.023 122.354 121.300 0.050 0.000 2.318 361 W HA -0.240 4.420 4.660 -0.000 0.000 0.313 361 W C 2.386 178.932 176.519 0.045 0.000 1.221 361 W CA 2.117 59.489 57.345 0.045 0.000 1.266 361 W CB -0.304 29.170 29.460 0.023 0.000 1.150 361 W HN 0.363 nan 8.180 nan 0.000 0.496 362 N N 0.655 119.433 118.700 0.131 0.000 2.270 362 N HA -0.123 4.617 4.740 -0.000 0.000 0.181 362 N C 1.878 177.385 175.510 -0.005 0.000 1.016 362 N CA 1.503 54.563 53.050 0.017 0.000 0.870 362 N CB -0.815 37.751 38.487 0.131 0.000 0.979 362 N HN 0.295 nan 8.380 nan 0.000 0.431 363 L N 0.317 121.591 121.223 0.086 0.000 2.093 363 L HA -0.089 4.250 4.340 -0.000 0.000 0.208 363 L C 2.261 179.152 176.870 0.035 0.000 1.085 363 L CA 0.431 55.384 54.840 0.189 0.000 0.755 363 L CB -0.382 41.874 42.059 0.329 0.000 0.904 363 L HN 0.108 nan 8.230 nan 0.000 0.435 364 L N 0.437 121.561 121.223 -0.165 0.000 2.017 364 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 364 L C 2.571 179.149 176.870 -0.487 0.000 1.073 364 L CA 1.848 56.317 54.840 -0.618 0.000 0.745 364 L CB -0.615 41.149 42.059 -0.491 0.000 0.894 364 L HN 0.121 nan 8.230 nan 0.000 0.432 365 K N -0.663 119.450 120.400 -0.477 0.000 2.044 365 K HA -0.293 4.027 4.320 -0.000 0.000 0.210 365 K C 2.146 178.622 176.600 -0.206 0.000 1.049 365 K CA 1.907 57.957 56.287 -0.395 0.000 0.927 365 K CB -0.156 32.097 32.500 -0.412 0.000 0.713 365 K HN 0.430 nan 8.250 nan 0.000 0.443 366 E N -0.048 120.079 120.200 -0.122 0.000 2.077 366 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 366 E C 1.855 178.438 176.600 -0.028 0.000 0.989 366 E CA 1.829 58.208 56.400 -0.034 0.000 0.800 366 E CB -0.321 29.407 29.700 0.047 0.000 0.746 366 E HN 0.433 nan 8.360 nan 0.000 0.452 367 H N -0.482 118.498 119.070 -0.150 0.000 2.319 367 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 367 H C 1.866 177.120 175.328 -0.122 0.000 1.092 367 H CA 2.438 58.380 56.048 -0.178 0.000 1.302 367 H CB -0.064 29.448 29.762 -0.416 0.000 1.373 367 H HN 0.180 nan 8.280 nan 0.000 0.497 368 V N -0.877 118.957 119.914 -0.134 0.000 3.541 368 V HA -0.004 4.116 4.120 -0.000 0.000 0.267 368 V C 2.149 178.253 176.094 0.016 0.000 1.213 368 V CA 0.922 63.205 62.300 -0.028 0.000 1.149 368 V CB -0.495 31.258 31.823 -0.116 0.000 0.822 368 V HN 0.540 nan 8.190 nan 0.000 0.462 369 S N 1.488 117.148 115.700 -0.067 0.000 2.440 369 S HA -0.218 4.252 4.470 -0.000 0.000 0.238 369 S C 1.993 176.542 174.600 -0.085 0.000 1.010 369 S CA 1.529 59.690 58.200 -0.064 0.000 0.972 369 S CB -0.692 62.466 63.200 -0.070 0.000 0.774 369 S HN 0.685 nan 8.310 nan 0.000 0.501 370 R N -0.229 120.174 120.500 -0.162 0.000 2.189 370 R HA 0.063 4.403 4.340 -0.000 0.000 0.223 370 R C 0.078 176.161 176.300 -0.362 0.000 1.092 370 R CA 0.813 56.733 56.100 -0.300 0.000 0.989 370 R CB -0.320 29.705 30.300 -0.457 0.000 0.876 370 R HN 0.515 nan 8.270 nan 0.000 0.457 371 Y N 1.853 122.064 120.300 -0.148 0.000 2.735 371 Y HA 0.037 4.586 4.550 -0.000 0.000 0.354 371 Y C 0.807 176.642 175.900 -0.109 0.000 1.288 371 Y CA -0.448 57.563 58.100 -0.148 0.000 1.836 371 Y CB -0.519 37.851 38.460 -0.151 0.000 1.920 371 Y HN 0.002 nan 8.280 nan 0.000 0.438 372 T N -2.294 112.242 114.554 -0.031 0.000 2.788 372 T HA 0.132 4.482 4.350 -0.000 0.000 0.287 372 T C -1.633 173.041 174.700 -0.042 0.000 1.007 372 T CA -1.892 60.204 62.100 -0.007 0.000 1.005 372 T CB 1.322 70.167 68.868 -0.039 0.000 1.012 372 T HN 0.083 nan 8.240 nan 0.000 0.530 373 P HA -0.060 nan 4.420 nan 0.000 0.218 373 P C 1.076 178.308 177.300 -0.113 0.000 1.148 373 P CA 0.937 64.027 63.100 -0.016 0.000 0.822 373 P CB 0.015 31.803 31.700 0.147 0.000 0.784 374 D N -1.030 119.325 120.400 -0.076 0.000 2.117 374 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 374 D C 2.025 178.247 176.300 -0.130 0.000 0.982 374 D CA 0.947 54.893 54.000 -0.089 0.000 0.828 374 D CB -0.579 40.181 40.800 -0.066 0.000 0.967 374 D HN -0.019 nan 8.370 nan 0.000 0.464 375 V N 0.887 120.711 119.914 -0.150 0.000 2.407 375 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 375 V C 2.666 178.629 176.094 -0.219 0.000 1.055 375 V CA 0.936 63.126 62.300 -0.183 0.000 1.049 375 V CB -0.337 31.357 31.823 -0.214 0.000 0.662 375 V HN 0.043 nan 8.190 nan 0.000 0.455 376 V N -0.150 119.584 119.914 -0.298 0.000 2.295 376 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 376 V C 2.428 178.333 176.094 -0.315 0.000 1.049 376 V CA 2.427 64.468 62.300 -0.431 0.000 1.024 376 V CB -0.590 30.646 31.823 -0.978 0.000 0.648 376 V HN 0.642 nan 8.190 nan 0.000 0.447 377 E N 0.299 120.340 120.200 -0.264 0.000 2.077 377 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 377 E C 2.086 178.621 176.600 -0.108 0.000 0.989 377 E CA 1.661 57.971 56.400 -0.150 0.000 0.800 377 E CB -0.147 29.493 29.700 -0.101 0.000 0.746 377 E HN 0.623 nan 8.360 nan 0.000 0.452 378 N N 0.029 118.659 118.700 -0.117 0.000 2.188 378 N HA -0.106 4.633 4.740 -0.000 0.000 0.184 378 N C 1.644 177.097 175.510 -0.094 0.000 1.018 378 N CA 1.283 54.278 53.050 -0.092 0.000 0.858 378 N CB 0.042 38.472 38.487 -0.096 0.000 0.989 378 N HN 0.211 nan 8.380 nan 0.000 0.426 379 I N -1.046 119.442 120.570 -0.137 0.000 2.494 379 I HA -0.106 4.064 4.170 -0.000 0.000 0.250 379 I C 1.584 177.638 176.117 -0.105 0.000 1.112 379 I CA 0.385 61.596 61.300 -0.148 0.000 1.438 379 I CB -0.048 37.779 38.000 -0.289 0.000 1.111 379 I HN 0.214 nan 8.210 nan 0.000 0.431 380 C N 0.629 119.867 119.300 -0.103 0.000 2.485 380 C HA 0.254 4.714 4.460 -0.000 0.000 0.277 380 C C 1.977 176.969 174.990 0.004 0.000 1.376 380 C CA 0.584 59.585 59.018 -0.029 0.000 1.759 380 C CB -0.685 27.065 27.740 0.017 0.000 1.970 380 C HN 0.793 nan 8.230 nan 0.000 0.509 381 G N 0.188 108.976 108.800 -0.020 0.000 2.176 381 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.253 381 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.253 381 G C 0.129 175.037 174.900 0.014 0.000 0.979 381 G CA 0.517 45.618 45.100 0.002 0.000 0.641 381 G HN 0.471 nan 8.290 nan 0.000 0.530 382 T N 3.184 117.747 114.554 0.015 0.000 2.752 382 T HA 0.466 4.816 4.350 -0.000 0.000 0.295 382 T C -1.980 172.733 174.700 0.023 0.000 0.923 382 T CA -0.554 61.577 62.100 0.053 0.000 1.112 382 T CB 1.497 70.458 68.868 0.155 0.000 0.884 382 T HN 0.087 nan 8.240 nan 0.000 0.525 383 P HA 0.047 nan 4.420 nan 0.000 0.263 383 P C 0.662 177.995 177.300 0.054 0.000 1.175 383 P CA -0.025 63.096 63.100 0.035 0.000 0.761 383 P CB 0.591 32.317 31.700 0.043 0.000 0.794 384 K N 2.908 123.333 120.400 0.042 0.000 2.113 384 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 384 K C 1.950 178.604 176.600 0.089 0.000 1.047 384 K CA 2.007 58.342 56.287 0.079 0.000 0.928 384 K CB -0.469 32.063 32.500 0.053 0.000 0.716 384 K HN 0.473 nan 8.250 nan 0.000 0.446 385 A N 1.604 124.457 122.820 0.056 0.000 1.902 385 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 385 A C 1.616 179.221 177.584 0.036 0.000 1.181 385 A CA 1.866 53.925 52.037 0.038 0.000 0.623 385 A CB -0.375 18.644 19.000 0.032 0.000 0.818 385 A HN 0.186 nan 8.150 nan 0.000 0.443 386 D N -1.073 119.362 120.400 0.059 0.000 2.117 386 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 386 D C 1.613 177.959 176.300 0.076 0.000 0.982 386 D CA 1.132 55.169 54.000 0.062 0.000 0.828 386 D CB -0.453 40.389 40.800 0.071 0.000 0.967 386 D HN 0.431 nan 8.370 nan 0.000 0.464 387 F N 1.487 121.391 119.950 -0.076 0.000 2.171 387 F HA -0.143 4.384 4.527 -0.000 0.000 0.300 387 F C 2.050 177.716 175.800 -0.225 0.000 1.090 387 F CA 0.651 58.532 58.000 -0.198 0.000 1.293 387 F CB -0.334 38.493 39.000 -0.287 0.000 1.013 387 F HN -0.104 nan 8.300 nan 0.000 0.486 388 L N 0.755 121.854 121.223 -0.206 0.000 2.046 388 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 388 L C 2.257 178.947 176.870 -0.299 0.000 1.077 388 L CA 1.895 56.551 54.840 -0.307 0.000 0.747 388 L CB -0.947 41.053 42.059 -0.099 0.000 0.896 388 L HN 0.019 nan 8.230 nan 0.000 0.432 389 K N -1.022 119.282 120.400 -0.161 0.000 2.032 389 K HA -0.159 4.161 4.320 -0.000 0.000 0.209 389 K C 1.928 178.429 176.600 -0.165 0.000 1.048 389 K CA 1.905 58.121 56.287 -0.118 0.000 0.927 389 K CB -0.480 31.992 32.500 -0.046 0.000 0.712 389 K HN 0.249 nan 8.250 nan 0.000 0.441 390 V N 0.901 120.713 119.914 -0.170 0.000 2.287 390 V HA -0.352 3.767 4.120 -0.000 0.000 0.248 390 V C 2.415 178.331 176.094 -0.297 0.000 1.053 390 V CA 1.708 63.923 62.300 -0.142 0.000 1.027 390 V CB -0.562 31.285 31.823 0.040 0.000 0.646 390 V HN 0.470 nan 8.190 nan 0.000 0.447 391 C N -0.215 118.714 119.300 -0.619 0.000 2.413 391 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 391 C C 2.721 177.342 174.990 -0.614 0.000 1.236 391 C CA 1.187 59.687 59.018 -0.863 0.000 1.735 391 C CB -0.987 25.742 27.740 -1.686 0.000 2.031 391 C HN 0.633 nan 8.230 nan 0.000 0.474 392 E N 0.178 120.107 120.200 -0.451 0.000 2.031 392 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 392 E C 2.156 178.697 176.600 -0.097 0.000 0.994 392 E CA 1.478 57.776 56.400 -0.171 0.000 0.800 392 E CB -0.201 29.440 29.700 -0.099 0.000 0.752 392 E HN 0.465 nan 8.360 nan 0.000 0.447 393 V N 1.574 121.424 119.914 -0.108 0.000 2.287 393 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 393 V C 2.361 178.417 176.094 -0.064 0.000 1.053 393 V CA 1.564 63.822 62.300 -0.070 0.000 1.027 393 V CB -0.500 31.284 31.823 -0.065 0.000 0.646 393 V HN 0.270 nan 8.190 nan 0.000 0.447 394 L N 0.111 121.288 121.223 -0.078 0.000 2.042 394 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 394 L C 2.698 179.565 176.870 -0.006 0.000 1.076 394 L CA 1.615 56.433 54.840 -0.037 0.000 0.749 394 L CB -0.781 41.278 42.059 0.000 0.000 0.893 394 L HN 0.376 nan 8.230 nan 0.000 0.432 395 A N -0.005 122.815 122.820 -0.000 0.000 2.019 395 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 395 A C 2.476 180.081 177.584 0.036 0.000 1.164 395 A CA 1.698 53.774 52.037 0.065 0.000 0.644 395 A CB -0.601 18.503 19.000 0.172 0.000 0.805 395 A HN 0.539 nan 8.150 nan 0.000 0.449 396 S N -0.168 115.539 115.700 0.011 0.000 2.469 396 S HA -0.125 4.345 4.470 -0.000 0.000 0.238 396 S C 1.555 176.149 174.600 -0.009 0.000 0.998 396 S CA 1.644 59.846 58.200 0.002 0.000 0.957 396 S CB -1.179 62.018 63.200 -0.006 0.000 0.764 396 S HN 0.817 nan 8.310 nan 0.000 0.514 397 T N -0.136 114.409 114.554 -0.016 0.000 3.235 397 T HA 0.254 4.604 4.350 -0.000 0.000 0.251 397 T C 1.380 176.051 174.700 -0.049 0.000 1.060 397 T CA 0.293 62.375 62.100 -0.030 0.000 0.949 397 T CB -0.389 68.459 68.868 -0.033 0.000 1.020 397 T HN 0.504 nan 8.240 nan 0.000 0.564 398 S N 0.672 116.349 115.700 -0.037 0.000 2.496 398 S HA 0.467 4.936 4.470 -0.000 0.000 0.224 398 S C 1.276 175.824 174.600 -0.085 0.000 0.996 398 S CA -0.112 58.049 58.200 -0.066 0.000 0.927 398 S CB -0.385 62.795 63.200 -0.033 0.000 0.774 398 S HN 0.802 nan 8.310 nan 0.000 0.524 399 A N 3.481 126.272 122.820 -0.048 0.000 2.520 399 A HA 0.399 4.719 4.320 -0.000 0.000 0.235 399 A C -0.613 176.938 177.584 -0.054 0.000 1.065 399 A CA -1.096 50.922 52.037 -0.032 0.000 0.764 399 A CB 0.010 19.008 19.000 -0.004 0.000 1.002 399 A HN 0.286 nan 8.150 nan 0.000 0.502 400 P HA -0.130 nan 4.420 nan 0.000 0.217 400 P C 0.335 177.687 177.300 0.086 0.000 1.150 400 P CA 1.585 64.696 63.100 0.019 0.000 0.832 400 P CB -0.084 31.769 31.700 0.255 0.000 0.787 401 D N -1.054 119.394 120.400 0.080 0.000 2.460 401 D HA 0.086 4.726 4.640 -0.000 0.000 0.229 401 D C 0.269 176.590 176.300 0.035 0.000 1.170 401 D CA -0.271 53.774 54.000 0.076 0.000 0.827 401 D CB -0.193 40.655 40.800 0.080 0.000 0.973 401 D HN 0.092 nan 8.370 nan 0.000 0.496 402 R N -0.478 120.026 120.500 0.007 0.000 2.673 402 R HA 0.591 4.930 4.340 -0.000 0.000 0.281 402 R C -0.767 175.516 176.300 -0.027 0.000 0.991 402 R CA -0.583 55.512 56.100 -0.008 0.000 0.896 402 R CB 2.154 32.447 30.300 -0.011 0.000 1.201 402 R HN 0.184 nan 8.270 nan 0.000 0.457 403 T N -1.509 113.029 114.554 -0.026 0.000 2.906 403 T HA 0.528 4.878 4.350 -0.000 0.000 0.295 403 T C -0.292 174.385 174.700 -0.038 0.000 1.075 403 T CA -0.724 61.356 62.100 -0.034 0.000 1.005 403 T CB 2.158 71.012 68.868 -0.023 0.000 1.136 403 T HN 0.286 nan 8.240 nan 0.000 0.498 404 T N 1.542 116.076 114.554 -0.033 0.000 2.888 404 T HA 0.700 5.050 4.350 -0.000 0.000 0.284 404 T C -0.456 174.227 174.700 -0.028 0.000 1.017 404 T CA -0.536 61.520 62.100 -0.073 0.000 1.022 404 T CB 1.679 70.476 68.868 -0.118 0.000 1.013 404 T HN 0.889 nan 8.240 nan 0.000 0.465 405 T N 1.846 116.355 114.554 -0.076 0.000 2.841 405 T HA 0.671 5.021 4.350 -0.000 0.000 0.283 405 T C -1.361 173.317 174.700 -0.036 0.000 1.000 405 T CA -0.584 61.525 62.100 0.015 0.000 0.977 405 T CB 0.238 69.104 68.868 -0.003 0.000 0.979 405 T HN 0.345 nan 8.240 nan 0.000 0.446 406 F N 4.180 124.194 119.950 0.106 0.000 2.420 406 F HA 0.611 5.138 4.527 -0.000 0.000 0.342 406 F C -0.357 175.518 175.800 0.125 0.000 1.113 406 F CA -0.831 57.263 58.000 0.158 0.000 1.059 406 F CB 1.362 40.539 39.000 0.295 0.000 1.128 406 F HN 0.284 nan 8.300 nan 0.000 0.475 407 L N 6.068 127.414 121.223 0.205 0.000 2.294 407 L HA 0.401 4.741 4.340 -0.000 0.000 0.283 407 L C -0.773 176.141 176.870 0.074 0.000 1.015 407 L CA -0.869 54.023 54.840 0.087 0.000 0.831 407 L CB 0.454 42.553 42.059 0.067 0.000 1.217 407 L HN 0.531 nan 8.230 nan 0.000 0.420 408 Y N 2.416 122.703 120.300 -0.022 0.000 2.644 408 Y HA 0.980 5.530 4.550 -0.000 0.000 0.338 408 Y C -0.364 175.580 175.900 0.072 0.000 1.119 408 Y CA -0.508 57.515 58.100 -0.127 0.000 1.060 408 Y CB 1.368 39.622 38.460 -0.343 0.000 1.294 408 Y HN 0.507 nan 8.280 nan 0.000 0.472 409 A N 1.060 123.998 122.820 0.197 0.000 1.905 409 A HA 0.335 4.655 4.320 -0.000 0.000 0.173 409 A C 0.711 178.427 177.584 0.219 0.000 1.379 409 A CA -0.015 52.157 52.037 0.225 0.000 2.322 409 A CB -0.534 18.616 19.000 0.251 0.000 2.641 409 A HN 0.791 nan 8.150 nan 0.000 1.109 410 L N 0.879 122.169 121.223 0.111 0.000 2.217 410 L HA 0.078 4.418 4.340 -0.000 0.000 0.211 410 L C 2.571 179.559 176.870 0.197 0.000 1.107 410 L CA 1.148 56.059 54.840 0.118 0.000 0.783 410 L CB -0.668 41.437 42.059 0.077 0.000 0.919 410 L HN 0.695 nan 8.230 nan 0.000 0.442 411 G N -0.361 108.539 108.800 0.166 0.000 2.485 411 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.221 411 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.221 411 G C 1.130 176.314 174.900 0.472 0.000 1.115 411 G CA 0.428 45.656 45.100 0.215 0.000 0.751 411 G HN 0.326 nan 8.290 nan 0.000 0.567 412 W N 0.733 122.181 121.300 0.247 0.000 2.640 412 W HA 0.142 4.802 4.660 -0.000 0.000 0.271 412 W C 2.797 179.468 176.519 0.254 0.000 1.218 412 W CA 1.256 58.702 57.345 0.169 0.000 1.382 412 W CB -0.940 28.492 29.460 -0.046 0.000 1.067 412 W HN 0.258 nan 8.180 nan 0.000 0.590 413 T N -1.780 113.034 114.554 0.433 0.000 2.942 413 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 413 T C 1.099 175.948 174.700 0.248 0.000 1.062 413 T CA 0.705 62.979 62.100 0.290 0.000 1.139 413 T CB -0.444 68.509 68.868 0.141 0.000 0.883 413 T HN 0.040 nan 8.240 nan 0.000 0.468 414 Q N 1.740 121.650 119.800 0.184 0.000 3.254 414 Q HA 0.254 4.593 4.340 -0.000 0.000 0.315 414 Q C -0.964 174.893 176.000 -0.238 0.000 1.405 414 Q CA -0.036 55.789 55.803 0.037 0.000 0.966 414 Q CB -0.168 28.637 28.738 0.112 0.000 1.706 414 Q HN 0.706 nan 8.270 nan 0.000 0.525 415 H N -2.343 116.792 119.070 0.108 0.000 2.977 415 H HA 0.131 4.687 4.556 -0.000 0.000 0.350 415 H C 0.912 176.271 175.328 0.050 0.000 1.238 415 H CA -0.542 55.560 56.048 0.090 0.000 1.124 415 H CB 1.292 31.119 29.762 0.109 0.000 1.866 415 H HN 0.162 nan 8.280 nan 0.000 0.550 416 T N -1.634 113.032 114.554 0.187 0.000 3.072 416 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 416 T C 1.139 175.904 174.700 0.109 0.000 1.127 416 T CA 0.998 63.156 62.100 0.097 0.000 1.107 416 T CB -0.308 68.597 68.868 0.062 0.000 0.910 416 T HN 0.368 nan 8.240 nan 0.000 0.513 417 V N -1.932 118.071 119.914 0.149 0.000 3.085 417 V HA 0.678 4.798 4.120 -0.000 0.000 0.345 417 V C 2.006 178.144 176.094 0.073 0.000 1.397 417 V CA -0.340 62.024 62.300 0.107 0.000 1.165 417 V CB -0.594 31.294 31.823 0.108 0.000 1.153 417 V HN 0.293 nan 8.190 nan 0.000 0.495 418 G N 1.833 110.717 108.800 0.140 0.000 2.599 418 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.219 418 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.219 418 G C 1.646 176.580 174.900 0.057 0.000 1.193 418 G CA 1.720 46.911 45.100 0.152 0.000 0.778 418 G HN 0.968 nan 8.290 nan 0.000 0.589 419 A N -0.492 122.354 122.820 0.043 0.000 1.940 419 A HA -0.105 4.214 4.320 -0.000 0.000 0.219 419 A C 2.398 179.935 177.584 -0.079 0.000 1.176 419 A CA 2.112 54.150 52.037 0.002 0.000 0.631 419 A CB -0.324 18.681 19.000 0.008 0.000 0.814 419 A HN 0.401 nan 8.150 nan 0.000 0.446 420 Q N -0.291 119.462 119.800 -0.078 0.000 2.172 420 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 420 Q C 1.656 177.515 176.000 -0.236 0.000 0.964 420 Q CA 0.948 56.673 55.803 -0.129 0.000 0.855 420 Q CB -0.459 28.250 28.738 -0.048 0.000 0.918 420 Q HN 0.647 nan 8.270 nan 0.000 0.444 421 N N 1.057 119.591 118.700 -0.276 0.000 2.061 421 N HA -0.126 4.614 4.740 -0.000 0.000 0.193 421 N C 1.930 176.995 175.510 -0.743 0.000 1.030 421 N CA 1.095 53.818 53.050 -0.545 0.000 0.856 421 N CB -0.290 37.871 38.487 -0.542 0.000 1.023 421 N HN 0.265 nan 8.380 nan 0.000 0.424 422 I N 0.845 121.113 120.570 -0.503 0.000 2.315 422 I HA -0.179 3.990 4.170 -0.000 0.000 0.248 422 I C 2.325 178.197 176.117 -0.408 0.000 1.117 422 I CA 0.699 61.712 61.300 -0.479 0.000 1.404 422 I CB -0.073 37.801 38.000 -0.210 0.000 1.071 422 I HN 0.039 nan 8.210 nan 0.000 0.419 423 R N 0.487 120.792 120.500 -0.324 0.000 2.091 423 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 423 R C 2.286 178.399 176.300 -0.311 0.000 1.136 423 R CA 2.012 57.935 56.100 -0.295 0.000 0.959 423 R CB -1.238 28.916 30.300 -0.245 0.000 0.856 423 R HN 0.393 nan 8.270 nan 0.000 0.437 424 T N 1.722 116.059 114.554 -0.362 0.000 2.746 424 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 424 T C 1.767 176.244 174.700 -0.372 0.000 1.039 424 T CA 1.295 63.190 62.100 -0.342 0.000 1.142 424 T CB -0.163 68.483 68.868 -0.370 0.000 0.866 424 T HN 0.134 nan 8.240 nan 0.000 0.444 425 M N 2.056 121.325 119.600 -0.551 0.000 2.132 425 M HA 0.072 4.552 4.480 -0.000 0.000 0.263 425 M C 2.473 178.524 176.300 -0.416 0.000 1.065 425 M CA 1.905 56.831 55.300 -0.624 0.000 1.122 425 M CB -1.177 30.899 32.600 -0.873 0.000 1.365 425 M HN 0.266 nan 8.290 nan 0.000 0.411 426 A N 0.703 123.355 122.820 -0.279 0.000 1.908 426 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 426 A C 2.163 179.736 177.584 -0.018 0.000 1.181 426 A CA 2.084 54.069 52.037 -0.086 0.000 0.627 426 A CB -0.695 18.097 19.000 -0.347 0.000 0.818 426 A HN 0.636 nan 8.150 nan 0.000 0.445 427 M N -0.735 118.799 119.600 -0.110 0.000 2.117 427 M HA -0.091 4.388 4.480 -0.000 0.000 0.262 427 M C 2.057 178.364 176.300 0.011 0.000 1.065 427 M CA 1.495 56.776 55.300 -0.033 0.000 1.114 427 M CB -0.501 32.057 32.600 -0.070 0.000 1.361 427 M HN 0.401 nan 8.290 nan 0.000 0.408 428 I N -0.122 120.424 120.570 -0.041 0.000 2.163 428 I HA -0.326 3.843 4.170 -0.000 0.000 0.243 428 I C 2.597 178.762 176.117 0.079 0.000 1.085 428 I CA 1.228 62.542 61.300 0.023 0.000 1.347 428 I CB -0.520 37.493 38.000 0.022 0.000 1.044 428 I HN 0.372 nan 8.210 nan 0.000 0.408 429 Q N 0.328 120.178 119.800 0.085 0.000 2.170 429 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 429 Q C 2.344 178.391 176.000 0.079 0.000 0.976 429 Q CA 1.370 57.253 55.803 0.134 0.000 0.858 429 Q CB -0.209 28.649 28.738 0.200 0.000 0.907 429 Q HN 0.572 nan 8.270 nan 0.000 0.433 430 L N -0.440 120.873 121.223 0.149 0.000 2.109 430 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 430 L C 2.105 179.040 176.870 0.109 0.000 1.086 430 L CA 0.329 55.290 54.840 0.201 0.000 0.760 430 L CB -0.386 41.837 42.059 0.273 0.000 0.910 430 L HN 0.159 nan 8.230 nan 0.000 0.437 431 L N -0.301 120.986 121.223 0.106 0.000 2.046 431 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 431 L C 2.265 179.121 176.870 -0.022 0.000 1.077 431 L CA 1.721 56.623 54.840 0.103 0.000 0.747 431 L CB -0.653 41.500 42.059 0.157 0.000 0.896 431 L HN 0.171 nan 8.230 nan 0.000 0.432 432 L N -0.710 120.475 121.223 -0.062 0.000 2.551 432 L HA 0.063 4.403 4.340 -0.000 0.000 0.228 432 L C 1.319 177.963 176.870 -0.375 0.000 1.153 432 L CA 0.567 55.324 54.840 -0.139 0.000 0.851 432 L CB -0.849 41.183 42.059 -0.044 0.000 0.959 432 L HN 0.526 nan 8.230 nan 0.000 0.451 433 G N 0.687 109.058 108.800 -0.715 0.000 2.273 433 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 433 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 433 G C 0.448 174.755 174.900 -0.988 0.000 1.047 433 G CA 0.428 44.536 45.100 -1.654 0.000 0.869 433 G HN 0.414 nan 8.290 nan 0.000 0.502 434 N N -0.683 117.733 118.700 -0.473 0.000 2.236 434 N HA 0.154 4.894 4.740 -0.000 0.000 0.196 434 N C 1.078 176.565 175.510 -0.039 0.000 1.114 434 N CA 0.235 53.180 53.050 -0.175 0.000 0.859 434 N CB 0.068 38.525 38.487 -0.051 0.000 0.982 434 N HN 0.384 nan 8.380 nan 0.000 0.493 435 M N -0.400 119.219 119.600 0.031 0.000 2.235 435 M HA 0.255 4.735 4.480 -0.000 0.000 0.351 435 M C 1.418 177.816 176.300 0.164 0.000 1.178 435 M CA 0.328 55.690 55.300 0.104 0.000 1.143 435 M CB 0.226 32.871 32.600 0.075 0.000 1.530 435 M HN 0.350 nan 8.290 nan 0.000 0.461 436 G N 2.078 110.929 108.800 0.085 0.000 2.179 436 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.260 436 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.260 436 G C 0.172 175.097 174.900 0.041 0.000 0.977 436 G CA -0.189 44.926 45.100 0.026 0.000 0.641 436 G HN 0.521 nan 8.290 nan 0.000 0.533 437 M N 0.918 120.556 119.600 0.063 0.000 2.409 437 M HA 0.677 5.157 4.480 -0.000 0.000 0.329 437 M C 0.790 177.093 176.300 0.005 0.000 1.180 437 M CA -0.590 54.745 55.300 0.058 0.000 1.053 437 M CB 1.196 33.835 32.600 0.065 0.000 1.586 437 M HN 0.573 nan 8.290 nan 0.000 0.461 438 A N 1.272 124.096 122.820 0.006 0.000 2.454 438 A HA 0.501 4.820 4.320 -0.000 0.000 0.260 438 A C 1.151 178.713 177.584 -0.037 0.000 1.106 438 A CA 0.581 52.600 52.037 -0.030 0.000 0.780 438 A CB -0.593 18.398 19.000 -0.015 0.000 1.044 438 A HN 1.262 nan 8.150 nan 0.000 0.498 439 G N 1.359 110.115 108.800 -0.074 0.000 2.176 439 G HA2 0.009 3.968 3.960 -0.000 0.000 0.253 439 G HA3 0.009 3.968 3.960 -0.000 0.000 0.253 439 G C 0.807 175.685 174.900 -0.038 0.000 0.979 439 G CA 0.682 45.748 45.100 -0.058 0.000 0.641 439 G HN 1.805 nan 8.290 nan 0.000 0.530 440 G N -1.141 107.642 108.800 -0.028 0.000 3.247 440 G HA2 0.871 4.830 3.960 -0.000 0.000 0.163 440 G HA3 0.871 4.830 3.960 -0.000 0.000 0.163 440 G C 1.111 176.024 174.900 0.022 0.000 1.206 440 G CA 1.059 46.161 45.100 0.004 0.000 0.918 440 G HN 2.019 nan 8.290 nan 0.000 0.625 441 G N -2.162 106.669 108.800 0.051 0.000 2.750 441 G HA2 0.084 4.044 3.960 -0.000 0.000 0.228 441 G HA3 0.084 4.044 3.960 -0.000 0.000 0.228 441 G C -0.554 174.449 174.900 0.172 0.000 1.367 441 G CA -0.073 45.068 45.100 0.068 0.000 0.871 441 G HN 1.452 nan 8.290 nan 0.000 0.560 442 V N 1.807 121.836 119.914 0.191 0.000 2.293 442 V HA 0.349 4.469 4.120 -0.000 0.000 0.275 442 V C -0.158 176.029 176.094 0.154 0.000 1.021 442 V CA -0.954 61.528 62.300 0.302 0.000 0.815 442 V CB 1.344 33.447 31.823 0.466 0.000 1.025 442 V HN 0.588 nan 8.190 nan 0.000 0.448 443 N N 4.402 123.145 118.700 0.072 0.000 2.868 443 N HA 0.280 5.019 4.740 -0.000 0.000 0.252 443 N C 0.407 175.754 175.510 -0.272 0.000 1.130 443 N CA -0.035 52.918 53.050 -0.161 0.000 1.026 443 N CB 1.560 39.906 38.487 -0.235 0.000 1.335 443 N HN 0.760 nan 8.380 nan 0.000 0.516 444 A N 3.308 125.922 122.820 -0.344 0.000 2.545 444 A HA 0.175 4.495 4.320 -0.000 0.000 0.297 444 A C 0.649 177.874 177.584 -0.598 0.000 1.340 444 A CA -0.327 51.273 52.037 -0.729 0.000 1.016 444 A CB -0.389 18.359 19.000 -0.420 0.000 1.122 444 A HN 0.589 nan 8.150 nan 0.000 0.537 445 L N 3.618 124.534 121.223 -0.512 0.000 2.456 445 L HA 0.174 4.514 4.340 -0.000 0.000 0.277 445 L C 0.731 177.532 176.870 -0.114 0.000 1.124 445 L CA -0.569 54.018 54.840 -0.422 0.000 0.880 445 L CB -0.054 41.621 42.059 -0.639 0.000 1.192 445 L HN 0.629 nan 8.230 nan 0.000 0.463 446 R N 1.769 122.226 120.500 -0.071 0.000 2.827 446 R HA 0.176 4.516 4.340 -0.000 0.000 0.269 446 R C 0.963 177.528 176.300 0.442 0.000 1.048 446 R CA 0.589 56.771 56.100 0.137 0.000 1.173 446 R CB 0.321 30.692 30.300 0.119 0.000 1.070 446 R HN 0.681 nan 8.270 nan 0.000 0.498 447 G N 0.254 109.311 108.800 0.428 0.000 2.549 447 G HA2 -0.018 3.941 3.960 -0.000 0.000 0.219 447 G HA3 -0.018 3.941 3.960 -0.000 0.000 0.219 447 G C -0.188 174.934 174.900 0.370 0.000 1.677 447 G CA 0.004 45.332 45.100 0.379 0.000 0.929 447 G HN 0.503 nan 8.290 nan 0.000 0.549 448 H N 1.000 120.304 119.070 0.389 0.000 2.998 448 H HA -0.000 4.556 4.556 -0.000 0.000 0.353 448 H C 2.304 177.767 175.328 0.226 0.000 1.099 448 H CA 0.863 57.131 56.048 0.367 0.000 1.393 448 H CB 1.211 31.173 29.762 0.332 0.000 1.343 448 H HN 0.403 nan 8.280 nan 0.000 0.609 449 S N 1.826 117.693 115.700 0.278 0.000 2.374 449 S HA -0.246 4.224 4.470 -0.000 0.000 0.227 449 S C 1.271 175.986 174.600 0.192 0.000 1.037 449 S CA 1.823 60.109 58.200 0.142 0.000 1.024 449 S CB 0.050 63.260 63.200 0.017 0.000 0.861 449 S HN 0.657 nan 8.310 nan 0.000 0.456 450 N N -0.166 118.663 118.700 0.216 0.000 2.365 450 N HA 0.366 5.106 4.740 -0.000 0.000 0.257 450 N C 0.565 176.200 175.510 0.209 0.000 1.287 450 N CA -0.163 53.006 53.050 0.198 0.000 0.882 450 N CB -0.103 38.476 38.487 0.155 0.000 1.250 450 N HN 0.503 nan 8.380 nan 0.000 0.507 451 I N -0.063 120.664 120.570 0.262 0.000 2.394 451 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 451 I C 1.974 178.242 176.117 0.252 0.000 1.136 451 I CA 1.239 62.691 61.300 0.254 0.000 1.425 451 I CB 0.312 38.502 38.000 0.316 0.000 1.079 451 I HN 0.247 nan 8.210 nan 0.000 0.425 452 Q N 0.942 120.905 119.800 0.271 0.000 2.079 452 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 452 Q C 2.009 178.209 176.000 0.334 0.000 0.974 452 Q CA 2.179 58.170 55.803 0.314 0.000 0.840 452 Q CB -0.713 28.220 28.738 0.324 0.000 0.898 452 Q HN 0.515 nan 8.270 nan 0.000 0.430 453 G N 0.014 108.997 108.800 0.305 0.000 2.402 453 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 453 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 453 G C 1.200 176.210 174.900 0.183 0.000 1.162 453 G CA 0.792 46.074 45.100 0.303 0.000 0.777 453 G HN 0.360 nan 8.290 nan 0.000 0.539 454 L N 0.870 122.184 121.223 0.153 0.000 2.141 454 L HA 0.032 4.372 4.340 -0.000 0.000 0.209 454 L C 3.077 179.987 176.870 0.068 0.000 1.094 454 L CA 1.652 56.551 54.840 0.098 0.000 0.763 454 L CB -0.502 41.618 42.059 0.102 0.000 0.908 454 L HN 0.140 nan 8.230 nan 0.000 0.437 455 T N -1.224 113.398 114.554 0.113 0.000 2.777 455 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 455 T C 1.414 176.033 174.700 -0.135 0.000 1.040 455 T CA 1.349 63.501 62.100 0.087 0.000 1.141 455 T CB -0.221 68.795 68.868 0.247 0.000 0.868 455 T HN 0.293 nan 8.240 nan 0.000 0.444 456 D N 1.501 121.844 120.400 -0.096 0.000 2.149 456 D HA -0.024 4.616 4.640 -0.000 0.000 0.198 456 D C 1.809 177.777 176.300 -0.553 0.000 0.990 456 D CA 0.813 54.552 54.000 -0.436 0.000 0.839 456 D CB -0.317 40.314 40.800 -0.281 0.000 0.948 456 D HN 0.343 nan 8.370 nan 0.000 0.460 457 L N -0.276 120.773 121.223 -0.290 0.000 2.599 457 L HA 0.155 4.495 4.340 -0.000 0.000 0.230 457 L C 1.219 178.003 176.870 -0.143 0.000 1.141 457 L CA 0.243 54.955 54.840 -0.213 0.000 0.877 457 L CB -0.350 41.665 42.059 -0.074 0.000 1.009 457 L HN 0.068 nan 8.230 nan 0.000 0.447 458 G N 0.744 109.437 108.800 -0.178 0.000 2.246 458 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.273 458 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.273 458 G C 0.210 175.114 174.900 0.007 0.000 1.055 458 G CA -0.360 44.687 45.100 -0.090 0.000 0.851 458 G HN 0.147 nan 8.290 nan 0.000 0.500 459 L N 0.240 121.478 121.223 0.025 0.000 2.583 459 L HA 0.471 4.811 4.340 -0.000 0.000 0.239 459 L C 0.747 177.664 176.870 0.079 0.000 1.347 459 L CA 0.656 55.531 54.840 0.059 0.000 1.246 459 L CB -0.768 41.330 42.059 0.065 0.000 1.496 459 L HN 0.303 nan 8.230 nan 0.000 0.413 460 L N -1.078 120.186 121.223 0.069 0.000 2.422 460 L HA 0.318 4.658 4.340 -0.000 0.000 0.264 460 L C 1.511 178.410 176.870 0.048 0.000 0.984 460 L CA -0.241 54.642 54.840 0.071 0.000 0.819 460 L CB 2.217 44.320 42.059 0.073 0.000 1.330 460 L HN 0.127 nan 8.230 nan 0.000 0.410 461 S N 1.162 116.887 115.700 0.040 0.000 2.427 461 S HA -0.296 4.173 4.470 -0.000 0.000 0.261 461 S C 1.450 176.053 174.600 0.006 0.000 1.091 461 S CA 2.884 61.104 58.200 0.033 0.000 1.251 461 S CB -0.196 63.020 63.200 0.027 0.000 1.160 461 S HN 0.891 nan 8.310 nan 0.000 0.436 462 T N -1.095 113.392 114.554 -0.111 0.000 3.163 462 T HA 0.455 4.805 4.350 -0.000 0.000 0.252 462 T C 0.440 175.134 174.700 -0.010 0.000 1.056 462 T CA -0.087 61.891 62.100 -0.203 0.000 0.947 462 T CB 0.139 68.523 68.868 -0.806 0.000 1.016 462 T HN 0.199 nan 8.240 nan 0.000 0.554 463 S N 0.957 116.686 115.700 0.049 0.000 2.632 463 S HA 0.725 5.195 4.470 -0.000 0.000 0.271 463 S C -0.264 174.430 174.600 0.155 0.000 1.260 463 S CA -0.723 57.539 58.200 0.103 0.000 1.010 463 S CB 0.903 64.134 63.200 0.050 0.000 0.965 463 S HN 0.393 nan 8.310 nan 0.000 0.534 464 L N 1.533 122.860 121.223 0.174 0.000 2.283 464 L HA 0.526 4.866 4.340 -0.000 0.000 0.259 464 L C -2.524 174.386 176.870 0.066 0.000 1.027 464 L CA -2.787 52.170 54.840 0.194 0.000 0.828 464 L CB 2.037 44.278 42.059 0.303 0.000 1.380 464 L HN 0.354 nan 8.230 nan 0.000 0.425 465 P HA 0.081 nan 4.420 nan 0.000 0.268 465 P C 0.291 177.505 177.300 -0.144 0.000 1.208 465 P CA 0.523 63.543 63.100 -0.133 0.000 0.777 465 P CB 0.479 32.105 31.700 -0.124 0.000 0.875 466 G N 1.706 110.277 108.800 -0.382 0.000 2.198 466 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 466 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 466 G C 0.056 175.051 174.900 0.159 0.000 1.042 466 G CA 0.171 45.055 45.100 -0.360 0.000 0.791 466 G HN 0.501 nan 8.290 nan 0.000 0.502 467 Y N -3.492 116.878 120.300 0.116 0.000 4.409 467 Y HA -0.259 4.291 4.550 -0.000 0.000 0.228 467 Y C 1.556 177.668 175.900 0.354 0.000 1.108 467 Y CA 0.998 59.268 58.100 0.283 0.000 1.955 467 Y CB -2.040 36.662 38.460 0.402 0.000 1.615 467 Y HN 0.569 nan 8.280 nan 0.000 0.665 468 L N -0.282 121.177 121.223 0.394 0.000 2.468 468 L HA 0.532 4.872 4.340 -0.000 0.000 0.254 468 L C 0.834 177.943 176.870 0.399 0.000 1.171 468 L CA -0.301 54.803 54.840 0.439 0.000 0.809 468 L CB 0.957 43.247 42.059 0.385 0.000 1.155 468 L HN 0.011 nan 8.230 nan 0.000 0.473 469 T N 1.249 116.117 114.554 0.523 0.000 2.841 469 T HA 0.467 4.817 4.350 -0.000 0.000 0.283 469 T C -0.058 175.007 174.700 0.609 0.000 1.000 469 T CA -0.623 61.752 62.100 0.459 0.000 0.977 469 T CB 1.709 70.805 68.868 0.380 0.000 0.979 469 T HN 0.270 nan 8.240 nan 0.000 0.446 470 L N 3.566 125.109 121.223 0.534 0.000 2.482 470 L HA 0.224 4.563 4.340 -0.000 0.000 0.273 470 L C -1.980 175.269 176.870 0.631 0.000 1.228 470 L CA -1.618 53.547 54.840 0.541 0.000 0.827 470 L CB 0.208 42.585 42.059 0.531 0.000 1.099 470 L HN 0.362 nan 8.230 nan 0.000 0.494 471 P HA 0.054 nan 4.420 nan 0.000 0.271 471 P C -0.830 176.339 177.300 -0.219 0.000 1.216 471 P CA -0.372 62.798 63.100 0.116 0.000 0.776 471 P CB 0.946 32.514 31.700 -0.220 0.000 0.881 472 S N 1.293 116.689 115.700 -0.506 0.000 2.632 472 S HA 0.101 4.571 4.470 -0.000 0.000 0.267 472 S C 1.142 175.398 174.600 -0.573 0.000 1.276 472 S CA -0.309 57.110 58.200 -1.301 0.000 0.998 472 S CB 0.490 62.798 63.200 -1.487 0.000 0.953 472 S HN 0.589 nan 8.310 nan 0.000 0.547 473 E N 0.441 120.349 120.200 -0.486 0.000 2.482 473 E HA -0.021 4.329 4.350 -0.000 0.000 0.196 473 E C 1.264 177.771 176.600 -0.155 0.000 1.047 473 E CA 0.423 56.691 56.400 -0.219 0.000 0.869 473 E CB -0.233 29.391 29.700 -0.126 0.000 0.836 473 E HN 0.694 nan 8.360 nan 0.000 0.520 474 K N 0.576 120.862 120.400 -0.189 0.000 2.366 474 K HA 0.001 4.321 4.320 -0.000 0.000 0.198 474 K C 0.432 176.993 176.600 -0.065 0.000 1.044 474 K CA 0.420 56.642 56.287 -0.109 0.000 0.973 474 K CB 0.175 32.608 32.500 -0.112 0.000 0.767 474 K HN 0.150 nan 8.250 nan 0.000 0.475 475 Q N 1.402 121.172 119.800 -0.050 0.000 2.553 475 Q HA 0.027 4.367 4.340 -0.000 0.000 0.221 475 Q C 0.929 176.992 176.000 0.105 0.000 1.219 475 Q CA -0.370 55.457 55.803 0.041 0.000 0.955 475 Q CB 0.879 29.685 28.738 0.114 0.000 1.399 475 Q HN 0.131 nan 8.270 nan 0.000 0.551 476 V N -1.324 118.623 119.914 0.056 0.000 3.217 476 V HA -0.022 4.097 4.120 -0.000 0.000 0.264 476 V C 0.193 176.354 176.094 0.111 0.000 1.135 476 V CA 0.880 63.228 62.300 0.079 0.000 1.142 476 V CB -0.454 31.384 31.823 0.024 0.000 0.754 476 V HN 0.624 nan 8.190 nan 0.000 0.484 477 D N -2.141 118.261 120.400 0.003 0.000 2.596 477 D HA 0.269 4.909 4.640 -0.000 0.000 0.262 477 D C 0.457 176.424 176.300 -0.554 0.000 1.210 477 D CA -0.539 53.343 54.000 -0.198 0.000 0.873 477 D CB 1.397 42.124 40.800 -0.121 0.000 1.408 477 D HN -0.094 nan 8.370 nan 0.000 0.441 478 L N 0.268 121.017 121.223 -0.790 0.000 2.043 478 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 478 L C 2.295 179.018 176.870 -0.245 0.000 1.075 478 L CA 2.321 56.749 54.840 -0.685 0.000 0.752 478 L CB -0.801 41.074 42.059 -0.307 0.000 0.891 478 L HN 0.733 nan 8.230 nan 0.000 0.432 479 Q N -1.567 118.135 119.800 -0.164 0.000 2.084 479 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 479 Q C 2.354 178.299 176.000 -0.091 0.000 0.978 479 Q CA 1.980 57.729 55.803 -0.090 0.000 0.844 479 Q CB -0.202 28.495 28.738 -0.069 0.000 0.898 479 Q HN 0.606 nan 8.270 nan 0.000 0.426 480 S N -0.668 114.978 115.700 -0.091 0.000 2.356 480 S HA -0.207 4.263 4.470 -0.000 0.000 0.223 480 S C 1.737 176.296 174.600 -0.068 0.000 1.032 480 S CA 1.301 59.461 58.200 -0.067 0.000 1.005 480 S CB -0.562 62.614 63.200 -0.040 0.000 0.867 480 S HN 0.673 nan 8.310 nan 0.000 0.449 481 Y N 1.848 122.045 120.300 -0.171 0.000 2.181 481 Y HA -0.058 4.492 4.550 -0.000 0.000 0.288 481 Y C 1.852 177.629 175.900 -0.206 0.000 1.146 481 Y CA 1.724 59.736 58.100 -0.146 0.000 1.164 481 Y CB -0.459 37.948 38.460 -0.089 0.000 0.982 481 Y HN 0.254 nan 8.280 nan 0.000 0.515 482 L N -0.083 120.947 121.223 -0.323 0.000 2.056 482 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 482 L C 2.371 179.026 176.870 -0.358 0.000 1.078 482 L CA 1.621 56.233 54.840 -0.381 0.000 0.749 482 L CB -0.543 41.451 42.059 -0.108 0.000 0.901 482 L HN 0.248 nan 8.230 nan 0.000 0.433 483 E N 0.350 120.410 120.200 -0.233 0.000 2.077 483 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 483 E C 2.305 178.768 176.600 -0.228 0.000 0.989 483 E CA 1.168 57.458 56.400 -0.184 0.000 0.800 483 E CB -0.192 29.436 29.700 -0.120 0.000 0.746 483 E HN 0.488 nan 8.360 nan 0.000 0.452 484 A N 1.501 124.165 122.820 -0.260 0.000 1.972 484 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 484 A C 1.768 179.136 177.584 -0.360 0.000 1.169 484 A CA 1.223 53.110 52.037 -0.250 0.000 0.635 484 A CB -0.169 18.708 19.000 -0.205 0.000 0.810 484 A HN 0.128 nan 8.150 nan 0.000 0.446 485 N N -0.631 117.700 118.700 -0.614 0.000 2.280 485 N HA 0.021 4.761 4.740 -0.000 0.000 0.192 485 N C -0.565 174.479 175.510 -0.776 0.000 1.109 485 N CA 0.394 52.916 53.050 -0.881 0.000 0.855 485 N CB 0.491 38.017 38.487 -1.602 0.000 0.974 485 N HN 0.245 nan 8.380 nan 0.000 0.482 486 T N 3.829 118.108 114.554 -0.457 0.000 2.929 486 T HA 0.270 4.620 4.350 -0.000 0.000 0.331 486 T C -2.395 172.246 174.700 -0.097 0.000 1.120 486 T CA -1.156 60.823 62.100 -0.201 0.000 0.973 486 T CB 1.993 70.776 68.868 -0.142 0.000 1.036 486 T HN 0.071 nan 8.240 nan 0.000 0.502 487 P HA 0.220 nan 4.420 nan 0.000 0.275 487 P C -0.382 176.952 177.300 0.056 0.000 1.227 487 P CA -0.678 62.432 63.100 0.016 0.000 0.781 487 P CB 0.964 32.706 31.700 0.069 0.000 0.906 488 K N 1.521 121.951 120.400 0.050 0.000 2.144 488 K HA 0.613 4.933 4.320 -0.000 0.000 0.270 488 K C -0.065 176.613 176.600 0.130 0.000 1.005 488 K CA -0.897 55.435 56.287 0.075 0.000 0.932 488 K CB 0.924 33.453 32.500 0.048 0.000 1.021 488 K HN 0.402 nan 8.250 nan 0.000 0.462 489 A N 1.635 124.557 122.820 0.170 0.000 2.462 489 A HA 0.111 4.431 4.320 -0.000 0.000 0.243 489 A C 0.887 178.645 177.584 0.290 0.000 1.076 489 A CA 0.088 52.249 52.037 0.206 0.000 0.773 489 A CB -0.063 19.051 19.000 0.191 0.000 1.010 489 A HN 0.899 nan 8.150 nan 0.000 0.493 490 T N -0.128 114.573 114.554 0.245 0.000 3.085 490 T HA 0.523 4.873 4.350 -0.000 0.000 0.264 490 T C 0.118 174.956 174.700 0.230 0.000 1.019 490 T CA 0.017 62.294 62.100 0.296 0.000 0.910 490 T CB -0.558 68.468 68.868 0.263 0.000 1.059 490 T HN 0.411 nan 8.240 nan 0.000 0.542 491 L N 0.710 121.928 121.223 -0.008 0.000 2.465 491 L HA 0.762 5.102 4.340 -0.000 0.000 0.257 491 L C -0.340 176.094 176.870 -0.727 0.000 0.988 491 L CA -1.543 53.084 54.840 -0.355 0.000 0.827 491 L CB 2.081 44.035 42.059 -0.176 0.000 1.397 491 L HN 0.155 nan 8.230 nan 0.000 0.410 492 A N 0.243 122.446 122.820 -1.027 0.000 2.332 492 A HA 0.403 4.723 4.320 -0.000 0.000 0.258 492 A C 0.029 177.457 177.584 -0.260 0.000 1.087 492 A CA 0.099 51.722 52.037 -0.691 0.000 0.802 492 A CB 0.100 18.806 19.000 -0.490 0.000 1.042 492 A HN 0.925 nan 8.150 nan 0.000 0.489 493 D N -0.546 119.777 120.400 -0.128 0.000 2.800 493 D HA -0.098 4.541 4.640 -0.000 0.000 0.232 493 D C -0.356 175.930 176.300 -0.023 0.000 1.137 493 D CA 1.160 55.130 54.000 -0.050 0.000 0.718 493 D CB -0.828 39.948 40.800 -0.040 0.000 1.084 493 D HN 0.554 nan 8.370 nan 0.000 0.432 494 Q N -0.488 119.306 119.800 -0.010 0.000 2.248 494 Q HA 0.437 4.776 4.340 -0.000 0.000 0.263 494 Q C 1.635 177.668 176.000 0.056 0.000 1.007 494 Q CA -0.763 55.061 55.803 0.035 0.000 0.877 494 Q CB 1.861 30.632 28.738 0.055 0.000 1.315 494 Q HN -0.042 nan 8.270 nan 0.000 0.454 495 V N 0.945 120.902 119.914 0.071 0.000 2.307 495 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 495 V C 0.775 176.970 176.094 0.168 0.000 1.045 495 V CA 1.516 63.877 62.300 0.102 0.000 1.024 495 V CB -0.711 31.169 31.823 0.094 0.000 0.651 495 V HN 1.001 nan 8.190 nan 0.000 0.449 496 N N -1.041 117.774 118.700 0.192 0.000 2.669 496 N HA -0.304 4.436 4.740 -0.000 0.000 0.266 496 N C 0.262 175.913 175.510 0.234 0.000 1.024 496 N CA 0.499 53.681 53.050 0.220 0.000 0.766 496 N CB -1.559 37.031 38.487 0.172 0.000 0.898 496 N HN 0.556 nan 8.380 nan 0.000 0.548 497 Y N -0.742 119.632 120.300 0.122 0.000 2.403 497 Y HA -0.060 4.490 4.550 -0.000 0.000 0.291 497 Y C 1.384 177.322 175.900 0.064 0.000 1.143 497 Y CA 1.567 59.706 58.100 0.065 0.000 1.257 497 Y CB -0.217 38.263 38.460 0.033 0.000 0.984 497 Y HN 0.558 nan 8.280 nan 0.000 0.550 498 W N -0.130 121.288 121.300 0.198 0.000 2.848 498 W HA -0.127 4.533 4.660 -0.000 0.000 0.241 498 W C 2.525 179.045 176.519 0.001 0.000 1.289 498 W CA 0.727 58.164 57.345 0.154 0.000 1.396 498 W CB -0.242 29.355 29.460 0.228 0.000 1.138 498 W HN 0.157 nan 8.180 nan 0.000 0.677 499 S N -0.301 115.472 115.700 0.121 0.000 2.469 499 S HA -0.179 4.290 4.470 -0.000 0.000 0.238 499 S C 1.339 175.848 174.600 -0.152 0.000 0.998 499 S CA 1.036 59.235 58.200 -0.001 0.000 0.957 499 S CB -0.503 62.687 63.200 -0.018 0.000 0.764 499 S HN 0.312 nan 8.310 nan 0.000 0.514 500 N N 0.278 118.754 118.700 -0.373 0.000 2.449 500 N HA 0.052 4.791 4.740 -0.000 0.000 0.191 500 N C 0.800 175.740 175.510 -0.950 0.000 1.161 500 N CA 0.211 52.831 53.050 -0.717 0.000 0.863 500 N CB -0.335 37.495 38.487 -1.096 0.000 0.980 500 N HN 0.536 nan 8.380 nan 0.000 0.458 501 Y N 2.752 122.765 120.300 -0.479 0.000 2.096 501 Y HA -0.180 4.369 4.550 -0.000 0.000 0.278 501 Y C -0.737 175.004 175.900 -0.265 0.000 1.192 501 Y CA 1.969 59.929 58.100 -0.234 0.000 1.143 501 Y CB -0.990 37.483 38.460 0.022 0.000 0.963 501 Y HN 0.118 nan 8.280 nan 0.000 0.505 502 P HA -0.142 nan 4.420 nan 0.000 0.220 502 P C 0.932 178.153 177.300 -0.132 0.000 1.148 502 P CA 2.187 65.299 63.100 0.020 0.000 0.803 502 P CB -0.037 31.673 31.700 0.017 0.000 0.782 503 K N -1.334 118.845 120.400 -0.368 0.000 2.057 503 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 503 K C 1.786 178.255 176.600 -0.219 0.000 1.050 503 K CA 1.271 57.364 56.287 -0.323 0.000 0.935 503 K CB -0.609 31.660 32.500 -0.385 0.000 0.715 503 K HN 0.110 nan 8.250 nan 0.000 0.439 504 F N 0.380 120.167 119.950 -0.271 0.000 2.146 504 F HA -0.089 4.437 4.527 -0.000 0.000 0.298 504 F C 2.211 177.906 175.800 -0.176 0.000 1.096 504 F CA 0.320 58.135 58.000 -0.308 0.000 1.275 504 F CB -1.106 37.474 39.000 -0.700 0.000 1.008 504 F HN -0.064 nan 8.300 nan 0.000 0.480 505 F N 0.801 120.672 119.950 -0.133 0.000 2.084 505 F HA -0.134 4.393 4.527 -0.000 0.000 0.296 505 F C 2.253 178.036 175.800 -0.028 0.000 1.111 505 F CA 1.280 59.265 58.000 -0.026 0.000 1.224 505 F CB -0.621 38.468 39.000 0.147 0.000 0.991 505 F HN -0.219 nan 8.300 nan 0.000 0.471 506 V N -0.499 119.322 119.914 -0.156 0.000 2.407 506 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 506 V C 2.438 178.294 176.094 -0.397 0.000 1.055 506 V CA 1.979 64.013 62.300 -0.443 0.000 1.049 506 V CB -1.006 30.407 31.823 -0.683 0.000 0.662 506 V HN 0.344 nan 8.190 nan 0.000 0.455 507 S N 0.157 115.711 115.700 -0.244 0.000 2.382 507 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 507 S C 1.888 176.371 174.600 -0.195 0.000 1.027 507 S CA 1.644 59.751 58.200 -0.154 0.000 0.991 507 S CB -0.397 62.787 63.200 -0.027 0.000 0.823 507 S HN 0.460 nan 8.310 nan 0.000 0.469 508 L N 1.616 122.672 121.223 -0.279 0.000 2.017 508 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 508 L C 2.064 178.596 176.870 -0.564 0.000 1.073 508 L CA 1.780 56.342 54.840 -0.463 0.000 0.745 508 L CB -0.635 41.121 42.059 -0.504 0.000 0.894 508 L HN 0.196 nan 8.230 nan 0.000 0.432 509 M N -0.702 118.634 119.600 -0.439 0.000 2.159 509 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 509 M C 2.095 178.447 176.300 0.087 0.000 1.063 509 M CA 1.405 56.646 55.300 -0.098 0.000 1.110 509 M CB -1.233 31.369 32.600 0.003 0.000 1.374 509 M HN 0.178 nan 8.290 nan 0.000 0.411 510 K N -0.306 120.088 120.400 -0.011 0.000 2.097 510 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 510 K C 2.295 178.917 176.600 0.038 0.000 1.050 510 K CA 1.229 57.553 56.287 0.061 0.000 0.938 510 K CB -0.820 31.677 32.500 -0.005 0.000 0.718 510 K HN 0.329 nan 8.250 nan 0.000 0.442 511 S N 0.284 115.952 115.700 -0.054 0.000 2.355 511 S HA -0.096 4.374 4.470 -0.000 0.000 0.222 511 S C 1.871 176.499 174.600 0.046 0.000 1.031 511 S CA 0.822 59.002 58.200 -0.033 0.000 0.993 511 S CB -0.158 62.982 63.200 -0.100 0.000 0.859 511 S HN 0.131 nan 8.310 nan 0.000 0.453 512 F N 0.428 120.265 119.950 -0.189 0.000 2.113 512 F HA 0.119 4.646 4.527 -0.000 0.000 0.297 512 F C 1.822 177.375 175.800 -0.412 0.000 1.103 512 F CA 0.732 58.480 58.000 -0.420 0.000 1.248 512 F CB -1.103 37.403 39.000 -0.823 0.000 0.999 512 F HN 0.321 nan 8.300 nan 0.000 0.475 513 Y N -1.140 119.355 120.300 0.325 0.000 2.430 513 Y HA 0.427 4.977 4.550 -0.000 0.000 0.248 513 Y C 1.849 177.864 175.900 0.193 0.000 1.108 513 Y CA -0.145 58.111 58.100 0.260 0.000 1.264 513 Y CB -0.569 38.137 38.460 0.410 0.000 1.172 513 Y HN 0.132 nan 8.280 nan 0.000 0.520 514 G N 1.121 110.075 108.800 0.256 0.000 2.651 514 G HA2 -0.412 3.547 3.960 -0.000 0.000 0.315 514 G HA3 -0.412 3.547 3.960 -0.000 0.000 0.315 514 G C 0.871 175.898 174.900 0.212 0.000 1.258 514 G CA 0.920 46.124 45.100 0.174 0.000 1.002 514 G HN 0.281 nan 8.290 nan 0.000 0.551 515 D N 1.194 121.689 120.400 0.159 0.000 2.264 515 D HA 0.162 4.802 4.640 -0.000 0.000 0.208 515 D C 2.617 179.031 176.300 0.190 0.000 0.966 515 D CA 1.530 55.621 54.000 0.151 0.000 0.864 515 D CB -0.558 40.301 40.800 0.097 0.000 0.933 515 D HN 0.726 nan 8.370 nan 0.000 0.499 516 A N 0.410 123.376 122.820 0.243 0.000 2.119 516 A HA 0.229 4.549 4.320 -0.000 0.000 0.217 516 A C 1.329 179.137 177.584 0.373 0.000 1.153 516 A CA 0.763 52.982 52.037 0.304 0.000 0.692 516 A CB -0.009 19.176 19.000 0.307 0.000 0.799 516 A HN 0.167 nan 8.150 nan 0.000 0.458 517 A N 0.491 123.552 122.820 0.401 0.000 2.260 517 A HA 0.625 4.945 4.320 -0.000 0.000 0.312 517 A C -0.215 177.588 177.584 0.365 0.000 1.321 517 A CA -0.429 51.853 52.037 0.409 0.000 0.928 517 A CB 0.358 19.713 19.000 0.593 0.000 1.158 517 A HN 0.314 nan 8.150 nan 0.000 0.542 518 Q N 0.928 120.731 119.800 0.005 0.000 2.544 518 Q HA 0.296 4.636 4.340 -0.000 0.000 0.291 518 Q C 0.506 175.800 176.000 -1.176 0.000 1.068 518 Q CA -0.780 54.802 55.803 -0.368 0.000 0.785 518 Q CB 1.774 30.412 28.738 -0.167 0.000 1.481 518 Q HN 0.820 nan 8.270 nan 0.000 0.430 519 K N 0.784 120.363 120.400 -1.367 0.000 2.063 519 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 519 K C 0.996 177.196 176.600 -0.667 0.000 1.048 519 K CA 1.959 57.521 56.287 -1.208 0.000 0.928 519 K CB 0.319 32.540 32.500 -0.465 0.000 0.713 519 K HN 0.427 nan 8.250 nan 0.000 0.442 520 E N 0.872 120.813 120.200 -0.431 0.000 2.118 520 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 520 E C 1.077 177.513 176.600 -0.274 0.000 0.992 520 E CA 1.548 57.786 56.400 -0.270 0.000 0.804 520 E CB -0.182 29.409 29.700 -0.181 0.000 0.741 520 E HN 0.511 nan 8.360 nan 0.000 0.458 521 N N 0.151 118.652 118.700 -0.332 0.000 2.273 521 N HA -0.014 4.726 4.740 -0.000 0.000 0.231 521 N C -0.722 174.583 175.510 -0.343 0.000 1.134 521 N CA -0.079 52.782 53.050 -0.315 0.000 0.856 521 N CB -0.219 38.074 38.487 -0.323 0.000 1.068 521 N HN -0.064 nan 8.380 nan 0.000 0.510 522 N N 0.439 118.897 118.700 -0.403 0.000 2.740 522 N HA -0.209 4.531 4.740 -0.000 0.000 0.248 522 N C -0.949 174.514 175.510 -0.078 0.000 1.062 522 N CA 1.003 53.870 53.050 -0.304 0.000 0.704 522 N CB -1.780 36.643 38.487 -0.107 0.000 0.968 522 N HN 0.696 nan 8.380 nan 0.000 0.547 523 W N -1.574 119.741 121.300 0.026 0.000 5.271 523 W HA -0.250 4.410 4.660 -0.000 0.000 0.364 523 W C 1.439 177.978 176.519 0.034 0.000 1.342 523 W CA 0.859 58.246 57.345 0.071 0.000 0.899 523 W CB -1.955 27.588 29.460 0.138 0.000 2.450 523 W HN 0.659 nan 8.180 nan 0.000 1.508 524 G N -1.838 106.868 108.800 -0.155 0.000 2.148 524 G HA2 -0.509 3.451 3.960 -0.000 0.000 0.254 524 G HA3 -0.509 3.451 3.960 -0.000 0.000 0.254 524 G C 0.629 175.356 174.900 -0.289 0.000 0.981 524 G CA 0.526 45.232 45.100 -0.658 0.000 0.670 524 G HN 0.712 nan 8.290 nan 0.000 0.528 525 Y N 1.481 121.732 120.300 -0.082 0.000 2.108 525 Y HA -0.280 4.269 4.550 -0.000 0.000 0.274 525 Y C 2.177 178.057 175.900 -0.034 0.000 1.229 525 Y CA 2.746 60.885 58.100 0.065 0.000 1.129 525 Y CB -0.076 38.418 38.460 0.058 0.000 0.946 525 Y HN 0.347 nan 8.280 nan 0.000 0.509 526 D N -1.179 119.080 120.400 -0.235 0.000 2.371 526 D HA -0.160 4.480 4.640 -0.000 0.000 0.221 526 D C 1.648 177.891 176.300 -0.095 0.000 0.986 526 D CA 0.708 54.557 54.000 -0.252 0.000 0.899 526 D CB -0.476 40.225 40.800 -0.165 0.000 0.902 526 D HN 0.541 nan 8.370 nan 0.000 0.530 527 W N 0.893 122.148 121.300 -0.075 0.000 2.584 527 W HA 0.132 4.792 4.660 -0.000 0.000 0.264 527 W C 0.727 177.282 176.519 0.061 0.000 1.264 527 W CA -0.191 57.132 57.345 -0.038 0.000 1.306 527 W CB -0.637 28.710 29.460 -0.188 0.000 1.110 527 W HN -0.055 nan 8.180 nan 0.000 0.606 528 L N 3.211 124.580 121.223 0.243 0.000 2.397 528 L HA 0.168 4.508 4.340 -0.000 0.000 0.271 528 L C -1.531 175.413 176.870 0.123 0.000 1.148 528 L CA -1.831 53.140 54.840 0.219 0.000 0.825 528 L CB -0.074 42.096 42.059 0.185 0.000 1.117 528 L HN -0.447 nan 8.230 nan 0.000 0.456 529 P HA 0.083 nan 4.420 nan 0.000 0.268 529 P C -1.351 176.018 177.300 0.116 0.000 1.204 529 P CA -0.132 63.050 63.100 0.136 0.000 0.768 529 P CB 0.504 32.308 31.700 0.173 0.000 0.842 530 K N 3.373 123.804 120.400 0.051 0.000 2.182 530 K HA 0.375 4.695 4.320 -0.000 0.000 0.262 530 K C 0.077 176.731 176.600 0.091 0.000 0.957 530 K CA -0.561 55.726 56.287 0.000 0.000 0.842 530 K CB 1.594 34.019 32.500 -0.127 0.000 1.099 530 K HN 0.566 nan 8.250 nan 0.000 0.438 531 W N 3.350 124.714 121.300 0.106 0.000 2.438 531 W HA 0.200 4.859 4.660 -0.000 0.000 0.324 531 W C 0.023 176.613 176.519 0.117 0.000 1.119 531 W CA -0.791 56.645 57.345 0.151 0.000 1.221 531 W CB 0.306 29.867 29.460 0.167 0.000 1.253 531 W HN 0.736 nan 8.180 nan 0.000 0.555 532 D N 0.259 120.877 120.400 0.362 0.000 2.355 532 D HA -0.046 4.594 4.640 -0.000 0.000 0.206 532 D C 0.363 176.848 176.300 0.308 0.000 1.010 532 D CA 0.493 54.623 54.000 0.216 0.000 0.875 532 D CB 0.664 41.572 40.800 0.179 0.000 0.966 532 D HN 0.666 nan 8.370 nan 0.000 0.512 533 Q N -1.166 118.846 119.800 0.354 0.000 2.782 533 Q HA 0.373 4.713 4.340 -0.000 0.000 0.308 533 Q C -1.454 174.462 176.000 -0.139 0.000 0.883 533 Q CA -0.898 54.977 55.803 0.120 0.000 0.755 533 Q CB 0.535 29.197 28.738 -0.126 0.000 1.454 533 Q HN -0.231 nan 8.270 nan 0.000 0.452 534 T N 1.596 115.983 114.554 -0.279 0.000 2.817 534 T HA 0.308 4.658 4.350 -0.000 0.000 0.293 534 T C -1.108 173.370 174.700 -0.369 0.000 0.964 534 T CA -0.012 61.907 62.100 -0.303 0.000 1.085 534 T CB -0.089 68.636 68.868 -0.239 0.000 0.921 534 T HN 0.327 nan 8.240 nan 0.000 0.502 535 Y N 2.946 123.256 120.300 0.017 0.000 2.817 535 Y HA 0.223 4.773 4.550 -0.000 0.000 0.339 535 Y C 0.981 176.909 175.900 0.047 0.000 1.281 535 Y CA -1.555 56.581 58.100 0.060 0.000 1.564 535 Y CB -0.672 37.803 38.460 0.025 0.000 1.628 535 Y HN 0.710 nan 8.280 nan 0.000 0.489 536 D N -1.971 118.495 120.400 0.109 0.000 2.363 536 D HA 0.097 4.737 4.640 -0.000 0.000 0.240 536 D C 1.377 177.770 176.300 0.155 0.000 1.236 536 D CA -0.333 53.724 54.000 0.095 0.000 0.927 536 D CB 1.102 41.924 40.800 0.037 0.000 1.150 536 D HN 0.191 nan 8.370 nan 0.000 0.458 537 V N -0.762 119.199 119.914 0.078 0.000 2.343 537 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 537 V C 2.101 178.223 176.094 0.048 0.000 1.051 537 V CA 1.250 63.587 62.300 0.061 0.000 1.036 537 V CB -1.139 30.483 31.823 -0.335 0.000 0.654 537 V HN 0.688 nan 8.190 nan 0.000 0.451 538 I N 0.556 121.093 120.570 -0.056 0.000 2.163 538 I HA -0.252 3.918 4.170 -0.000 0.000 0.243 538 I C 2.797 179.039 176.117 0.210 0.000 1.085 538 I CA 2.491 63.808 61.300 0.028 0.000 1.347 538 I CB -0.573 37.431 38.000 0.006 0.000 1.044 538 I HN 0.352 nan 8.210 nan 0.000 0.408 539 K N 0.586 121.141 120.400 0.259 0.000 2.044 539 K HA -0.286 4.034 4.320 -0.000 0.000 0.210 539 K C 2.424 179.152 176.600 0.214 0.000 1.049 539 K CA 1.948 58.392 56.287 0.261 0.000 0.927 539 K CB -0.388 32.264 32.500 0.253 0.000 0.713 539 K HN 0.193 nan 8.250 nan 0.000 0.443 540 Y N 0.087 120.492 120.300 0.174 0.000 2.293 540 Y HA -0.159 4.390 4.550 -0.000 0.000 0.291 540 Y C 1.679 177.600 175.900 0.036 0.000 1.137 540 Y CA 1.437 59.619 58.100 0.136 0.000 1.202 540 Y CB -0.160 38.425 38.460 0.208 0.000 0.990 540 Y HN 0.050 nan 8.280 nan 0.000 0.537 541 F N 0.142 120.065 119.950 -0.045 0.000 2.293 541 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 541 F C 2.483 178.175 175.800 -0.180 0.000 1.086 541 F CA 1.356 59.272 58.000 -0.140 0.000 1.375 541 F CB -0.763 38.217 39.000 -0.034 0.000 1.045 541 F HN 0.180 nan 8.300 nan 0.000 0.516 542 N N 0.418 119.092 118.700 -0.042 0.000 2.142 542 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 542 N C 1.800 177.157 175.510 -0.255 0.000 1.023 542 N CA 1.385 54.304 53.050 -0.218 0.000 0.852 542 N CB -0.067 38.099 38.487 -0.534 0.000 0.998 542 N HN 0.259 nan 8.380 nan 0.000 0.424 543 M N 0.196 119.641 119.600 -0.258 0.000 2.132 543 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 543 M C 2.480 178.561 176.300 -0.365 0.000 1.065 543 M CA 1.245 56.378 55.300 -0.278 0.000 1.122 543 M CB -0.262 32.179 32.600 -0.264 0.000 1.365 543 M HN 0.162 nan 8.290 nan 0.000 0.411 544 M N 0.368 119.658 119.600 -0.516 0.000 2.117 544 M HA -0.247 4.233 4.480 -0.000 0.000 0.262 544 M C 1.501 177.600 176.300 -0.335 0.000 1.065 544 M CA 1.904 56.880 55.300 -0.540 0.000 1.114 544 M CB -0.201 31.902 32.600 -0.827 0.000 1.361 544 M HN 0.131 nan 8.290 nan 0.000 0.408 545 D N 0.380 120.627 120.400 -0.256 0.000 2.178 545 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 545 D C 1.259 177.479 176.300 -0.132 0.000 0.980 545 D CA 1.164 55.071 54.000 -0.155 0.000 0.842 545 D CB -0.014 40.724 40.800 -0.103 0.000 0.948 545 D HN 0.525 nan 8.370 nan 0.000 0.472 546 E N -0.947 119.163 120.200 -0.151 0.000 2.494 546 E HA 0.177 4.527 4.350 -0.000 0.000 0.193 546 E C 1.100 177.635 176.600 -0.108 0.000 1.074 546 E CA 0.393 56.724 56.400 -0.116 0.000 0.867 546 E CB 0.198 29.827 29.700 -0.118 0.000 0.924 546 E HN 0.342 nan 8.360 nan 0.000 0.502 547 G N 2.282 111.004 108.800 -0.131 0.000 2.143 547 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.248 547 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.248 547 G C 0.768 175.603 174.900 -0.109 0.000 0.991 547 G CA 0.478 45.514 45.100 -0.108 0.000 0.689 547 G HN 0.261 nan 8.290 nan 0.000 0.522 548 K N -0.705 119.604 120.400 -0.151 0.000 2.444 548 K HA 0.324 4.644 4.320 -0.000 0.000 0.193 548 K C 0.564 177.056 176.600 -0.181 0.000 1.024 548 K CA 0.467 56.674 56.287 -0.133 0.000 1.077 548 K CB 0.787 33.208 32.500 -0.132 0.000 0.833 548 K HN 0.320 nan 8.250 nan 0.000 0.517 549 V N 0.994 120.747 119.914 -0.268 0.000 2.448 549 V HA 0.091 4.211 4.120 -0.000 0.000 0.295 549 V C 0.756 176.734 176.094 -0.193 0.000 1.025 549 V CA -0.505 61.613 62.300 -0.304 0.000 0.859 549 V CB 1.626 33.080 31.823 -0.615 0.000 0.988 549 V HN 0.102 nan 8.190 nan 0.000 0.431 550 T N 2.545 117.038 114.554 -0.101 0.000 2.901 550 T HA 0.229 4.578 4.350 -0.000 0.000 0.252 550 T C 0.821 175.372 174.700 -0.249 0.000 1.035 550 T CA 0.991 63.061 62.100 -0.050 0.000 1.142 550 T CB 0.230 69.183 68.868 0.142 0.000 0.869 550 T HN 0.841 nan 8.240 nan 0.000 0.442 551 G N -0.636 107.903 108.800 -0.436 0.000 2.605 551 G HA2 0.612 4.572 3.960 -0.000 0.000 0.296 551 G HA3 0.612 4.572 3.960 -0.000 0.000 0.296 551 G C -2.201 172.541 174.900 -0.264 0.000 1.304 551 G CA -0.479 44.041 45.100 -0.967 0.000 0.941 551 G HN 0.126 nan 8.290 nan 0.000 0.475 552 Y N -0.399 119.674 120.300 -0.378 0.000 2.479 552 Y HA 0.647 5.197 4.550 -0.000 0.000 0.338 552 Y C -1.657 174.226 175.900 -0.029 0.000 1.055 552 Y CA -1.897 56.162 58.100 -0.069 0.000 1.023 552 Y CB 1.957 40.374 38.460 -0.071 0.000 1.287 552 Y HN 0.452 nan 8.280 nan 0.000 0.447 553 F N 3.338 123.165 119.950 -0.204 0.000 2.443 553 F HA 0.536 5.062 4.527 -0.000 0.000 0.335 553 F C -0.359 175.267 175.800 -0.290 0.000 1.104 553 F CA -0.623 57.304 58.000 -0.122 0.000 1.013 553 F CB 1.241 40.204 39.000 -0.061 0.000 1.136 553 F HN 0.409 nan 8.300 nan 0.000 0.470 554 C N 3.399 122.718 119.300 0.032 0.000 2.335 554 C HA 0.346 4.805 4.460 -0.000 0.000 0.318 554 C C -0.188 174.856 174.990 0.089 0.000 1.150 554 C CA -0.974 58.039 59.018 -0.009 0.000 1.466 554 C CB 0.061 27.808 27.740 0.012 0.000 2.024 554 C HN 0.702 nan 8.230 nan 0.000 0.429 555 Q N 1.872 121.730 119.800 0.097 0.000 2.398 555 Q HA 0.437 4.776 4.340 -0.000 0.000 0.251 555 Q C 0.866 176.915 176.000 0.083 0.000 0.999 555 Q CA 0.251 56.108 55.803 0.090 0.000 0.874 555 Q CB 0.881 29.655 28.738 0.061 0.000 1.215 555 Q HN 1.109 nan 8.270 nan 0.000 0.470 556 G N 4.671 113.495 108.800 0.039 0.000 2.371 556 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.299 556 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.299 556 G C -0.691 174.232 174.900 0.039 0.000 1.014 556 G CA 0.602 45.683 45.100 -0.031 0.000 1.097 556 G HN 0.618 nan 8.290 nan 0.000 0.512 557 F N 0.070 119.979 119.950 -0.068 0.000 2.604 557 F HA 0.496 5.022 4.527 -0.000 0.000 0.316 557 F C -0.627 175.128 175.800 -0.075 0.000 1.136 557 F CA -1.429 56.542 58.000 -0.049 0.000 0.989 557 F CB 1.860 40.841 39.000 -0.031 0.000 1.258 557 F HN 0.052 nan 8.300 nan 0.000 0.451 558 N N 7.583 126.468 118.700 0.310 0.000 2.851 558 N HA 0.354 5.094 4.740 -0.000 0.000 0.248 558 N C -2.205 173.313 175.510 0.014 0.000 1.221 558 N CA -2.629 50.479 53.050 0.097 0.000 0.847 558 N CB 1.234 39.741 38.487 0.033 0.000 1.150 558 N HN 0.208 nan 8.380 nan 0.000 0.507 559 P HA -0.099 nan 4.420 nan 0.000 0.221 559 P C 1.333 178.438 177.300 -0.324 0.000 1.150 559 P CA 0.549 63.256 63.100 -0.655 0.000 0.800 559 P CB 0.608 31.539 31.700 -1.282 0.000 0.787 560 V N 0.687 120.519 119.914 -0.137 0.000 2.392 560 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 560 V C 2.688 178.770 176.094 -0.019 0.000 1.059 560 V CA 2.350 64.638 62.300 -0.020 0.000 1.051 560 V CB -1.528 30.340 31.823 0.074 0.000 0.658 560 V HN 0.141 nan 8.190 nan 0.000 0.455 561 A N -0.027 122.757 122.820 -0.060 0.000 1.943 561 A HA -0.044 4.275 4.320 -0.000 0.000 0.213 561 A C 2.352 179.907 177.584 -0.048 0.000 1.181 561 A CA 1.409 53.404 52.037 -0.070 0.000 0.653 561 A CB -0.256 18.679 19.000 -0.107 0.000 0.833 561 A HN 0.638 nan 8.150 nan 0.000 0.451 562 S N -1.836 113.860 115.700 -0.007 0.000 2.502 562 S HA 0.352 4.822 4.470 -0.000 0.000 0.215 562 S C 0.132 174.926 174.600 0.323 0.000 1.009 562 S CA -0.416 57.815 58.200 0.052 0.000 0.908 562 S CB -0.184 63.062 63.200 0.077 0.000 0.801 562 S HN 0.093 nan 8.310 nan 0.000 0.505 563 F N 3.952 123.931 119.950 0.048 0.000 2.371 563 F HA 0.556 5.083 4.527 -0.000 0.000 0.329 563 F C -2.217 173.625 175.800 0.069 0.000 1.107 563 F CA -3.210 54.810 58.000 0.034 0.000 1.137 563 F CB 0.312 39.192 39.000 -0.200 0.000 1.214 563 F HN -0.013 nan 8.300 nan 0.000 0.536 564 P HA 0.001 nan 4.420 nan 0.000 0.271 564 P C -0.424 176.872 177.300 -0.006 0.000 1.218 564 P CA 0.047 63.171 63.100 0.039 0.000 0.780 564 P CB 0.598 32.168 31.700 -0.217 0.000 0.901 565 D N 1.039 121.415 120.400 -0.040 0.000 2.956 565 D HA -0.149 4.491 4.640 -0.000 0.000 0.240 565 D C 1.165 177.475 176.300 0.016 0.000 1.141 565 D CA 0.466 54.444 54.000 -0.036 0.000 0.820 565 D CB -0.764 40.011 40.800 -0.042 0.000 0.988 565 D HN 0.455 nan 8.370 nan 0.000 0.417 566 K N 1.074 121.490 120.400 0.026 0.000 2.089 566 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 566 K C 1.421 178.059 176.600 0.065 0.000 1.048 566 K CA 1.433 57.753 56.287 0.056 0.000 0.926 566 K CB -0.038 32.496 32.500 0.056 0.000 0.714 566 K HN 0.382 nan 8.250 nan 0.000 0.448 567 N N 1.099 119.826 118.700 0.045 0.000 2.244 567 N HA -0.147 4.593 4.740 -0.000 0.000 0.183 567 N C 1.758 177.308 175.510 0.066 0.000 1.016 567 N CA 0.944 54.027 53.050 0.055 0.000 0.866 567 N CB -0.086 38.426 38.487 0.043 0.000 0.980 567 N HN 0.348 nan 8.380 nan 0.000 0.430 568 K N 0.941 121.377 120.400 0.059 0.000 2.116 568 K HA 0.020 4.340 4.320 -0.000 0.000 0.203 568 K C 1.805 178.474 176.600 0.114 0.000 1.052 568 K CA 0.421 56.751 56.287 0.072 0.000 0.952 568 K CB 0.173 32.706 32.500 0.056 0.000 0.729 568 K HN -0.152 nan 8.250 nan 0.000 0.446 569 V N 0.895 120.886 119.914 0.128 0.000 2.287 569 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 569 V C 2.270 178.456 176.094 0.153 0.000 1.053 569 V CA 1.683 64.100 62.300 0.195 0.000 1.027 569 V CB -0.260 31.635 31.823 0.121 0.000 0.646 569 V HN 0.158 nan 8.190 nan 0.000 0.447 570 V N -0.693 119.290 119.914 0.115 0.000 2.427 570 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 570 V C 2.624 178.792 176.094 0.124 0.000 1.051 570 V CA 2.181 64.559 62.300 0.129 0.000 1.048 570 V CB -0.564 31.370 31.823 0.186 0.000 0.666 570 V HN 0.593 nan 8.190 nan 0.000 0.456 571 S N -0.992 114.768 115.700 0.099 0.000 2.368 571 S HA -0.236 4.234 4.470 -0.000 0.000 0.225 571 S C 2.064 176.680 174.600 0.026 0.000 1.030 571 S CA 2.126 60.370 58.200 0.073 0.000 0.999 571 S CB -0.455 62.779 63.200 0.057 0.000 0.844 571 S HN 0.708 nan 8.310 nan 0.000 0.459 572 C N 1.188 120.496 119.300 0.013 0.000 2.446 572 C HA 0.105 4.565 4.460 -0.000 0.000 0.277 572 C C 2.511 177.368 174.990 -0.222 0.000 1.275 572 C CA 0.330 59.288 59.018 -0.098 0.000 1.727 572 C CB -1.584 26.098 27.740 -0.097 0.000 2.010 572 C HN 0.560 nan 8.230 nan 0.000 0.486 573 L N 0.993 122.081 121.223 -0.225 0.000 2.083 573 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 573 L C 2.526 179.257 176.870 -0.232 0.000 1.083 573 L CA 1.394 55.975 54.840 -0.432 0.000 0.752 573 L CB -0.709 40.850 42.059 -0.833 0.000 0.899 573 L HN 0.332 nan 8.230 nan 0.000 0.433 574 S N -0.364 115.356 115.700 0.033 0.000 2.469 574 S HA -0.134 4.336 4.470 -0.000 0.000 0.238 574 S C 1.669 176.328 174.600 0.098 0.000 0.998 574 S CA 1.024 59.384 58.200 0.266 0.000 0.957 574 S CB -0.123 63.234 63.200 0.262 0.000 0.764 574 S HN 0.426 nan 8.310 nan 0.000 0.514 575 K N 0.521 120.912 120.400 -0.015 0.000 2.426 575 K HA 0.215 4.535 4.320 -0.000 0.000 0.193 575 K C 0.132 176.692 176.600 -0.066 0.000 1.028 575 K CA 0.014 56.273 56.287 -0.046 0.000 1.047 575 K CB 0.040 32.484 32.500 -0.092 0.000 0.821 575 K HN 0.314 nan 8.250 nan 0.000 0.513 576 L N 1.886 123.062 121.223 -0.080 0.000 2.456 576 L HA -0.003 4.337 4.340 -0.000 0.000 0.272 576 L C 1.362 178.239 176.870 0.013 0.000 1.189 576 L CA -0.089 54.699 54.840 -0.087 0.000 0.846 576 L CB 0.605 42.598 42.059 -0.111 0.000 1.111 576 L HN 0.036 nan 8.230 nan 0.000 0.475 577 K N 2.954 123.375 120.400 0.034 0.000 2.167 577 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 577 K C -0.281 176.476 176.600 0.261 0.000 1.052 577 K CA 0.991 57.367 56.287 0.148 0.000 0.956 577 K CB 0.059 32.689 32.500 0.216 0.000 0.735 577 K HN 0.611 nan 8.250 nan 0.000 0.451 578 Y N -2.063 118.317 120.300 0.134 0.000 2.552 578 Y HA 0.631 5.181 4.550 -0.000 0.000 0.337 578 Y C -1.153 174.850 175.900 0.173 0.000 1.094 578 Y CA -1.376 56.838 58.100 0.191 0.000 1.028 578 Y CB 1.225 39.838 38.460 0.255 0.000 1.321 578 Y HN -0.186 nan 8.280 nan 0.000 0.456 579 M N 4.288 124.079 119.600 0.318 0.000 2.386 579 M HA 0.721 5.201 4.480 -0.000 0.000 0.293 579 M C -2.285 174.167 176.300 0.254 0.000 1.120 579 M CA -0.875 54.539 55.300 0.191 0.000 0.909 579 M CB 2.230 34.979 32.600 0.248 0.000 1.661 579 M HN 0.675 nan 8.290 nan 0.000 0.452 580 V N 5.036 124.944 119.914 -0.010 0.000 2.378 580 V HA 0.486 4.606 4.120 -0.000 0.000 0.288 580 V C -0.731 175.397 176.094 0.058 0.000 1.016 580 V CA -0.685 61.604 62.300 -0.018 0.000 0.840 580 V CB 1.749 33.269 31.823 -0.506 0.000 0.994 580 V HN 0.652 nan 8.190 nan 0.000 0.431 581 V N 6.897 126.916 119.914 0.175 0.000 2.435 581 V HA 0.540 4.660 4.120 -0.000 0.000 0.290 581 V C -0.212 175.969 176.094 0.145 0.000 1.030 581 V CA -0.371 62.023 62.300 0.157 0.000 0.881 581 V CB 1.794 33.726 31.823 0.183 0.000 0.983 581 V HN 0.691 nan 8.190 nan 0.000 0.445 582 I N 4.791 125.439 120.570 0.130 0.000 2.418 582 I HA 0.608 4.777 4.170 -0.000 0.000 0.287 582 I C -0.672 175.482 176.117 0.063 0.000 1.008 582 I CA -0.035 61.340 61.300 0.125 0.000 1.104 582 I CB 1.644 39.736 38.000 0.153 0.000 1.264 582 I HN 0.596 nan 8.210 nan 0.000 0.438 583 D N 7.518 127.940 120.400 0.036 0.000 2.728 583 D HA 0.189 4.829 4.640 -0.000 0.000 0.249 583 D C -2.539 173.743 176.300 -0.030 0.000 1.225 583 D CA -0.968 53.017 54.000 -0.026 0.000 0.748 583 D CB 3.275 44.042 40.800 -0.054 0.000 1.326 583 D HN 0.128 nan 8.370 nan 0.000 0.426 584 P HA 0.216 nan 4.420 nan 0.000 0.245 584 P C 0.215 177.484 177.300 -0.052 0.000 1.206 584 P CA 0.213 63.300 63.100 -0.022 0.000 0.781 584 P CB 1.139 32.863 31.700 0.039 0.000 0.994 585 L N -1.014 120.139 121.223 -0.116 0.000 2.376 585 L HA 0.388 4.728 4.340 -0.000 0.000 0.258 585 L C -0.095 176.640 176.870 -0.225 0.000 1.013 585 L CA -1.465 53.249 54.840 -0.211 0.000 0.822 585 L CB 2.909 44.753 42.059 -0.359 0.000 1.388 585 L HN -0.444 nan 8.230 nan 0.000 0.413 586 V N 1.258 121.026 119.914 -0.243 0.000 2.529 586 V HA 0.170 4.290 4.120 -0.000 0.000 0.292 586 V C 0.456 176.504 176.094 -0.077 0.000 1.028 586 V CA 0.234 62.467 62.300 -0.111 0.000 1.074 586 V CB 0.940 32.762 31.823 -0.001 0.000 0.958 586 V HN 0.909 nan 8.190 nan 0.000 0.481 587 T N 1.063 115.616 114.554 -0.002 0.000 2.924 587 T HA 0.485 4.835 4.350 -0.000 0.000 0.291 587 T C 0.686 175.372 174.700 -0.023 0.000 1.045 587 T CA -0.797 61.303 62.100 -0.000 0.000 1.015 587 T CB 1.866 70.731 68.868 -0.005 0.000 1.103 587 T HN 0.448 nan 8.240 nan 0.000 0.496 588 E N 0.707 120.791 120.200 -0.195 0.000 2.118 588 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 588 E C 2.116 178.732 176.600 0.027 0.000 0.992 588 E CA 1.826 57.992 56.400 -0.389 0.000 0.804 588 E CB -0.601 28.646 29.700 -0.755 0.000 0.741 588 E HN 0.761 nan 8.360 nan 0.000 0.458 589 T N -0.146 114.454 114.554 0.076 0.000 2.746 589 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 589 T C 2.025 176.943 174.700 0.363 0.000 1.039 589 T CA 1.555 63.770 62.100 0.192 0.000 1.142 589 T CB -0.423 68.509 68.868 0.106 0.000 0.866 589 T HN 0.354 nan 8.240 nan 0.000 0.444 590 S N 1.678 117.569 115.700 0.319 0.000 2.423 590 S HA -0.096 4.374 4.470 -0.000 0.000 0.231 590 S C 1.798 176.735 174.600 0.561 0.000 1.014 590 S CA 1.403 59.899 58.200 0.494 0.000 0.965 590 S CB -0.709 62.732 63.200 0.401 0.000 0.785 590 S HN 0.620 nan 8.310 nan 0.000 0.495 591 T N -0.821 113.877 114.554 0.240 0.000 3.248 591 T HA 0.351 4.701 4.350 -0.000 0.000 0.271 591 T C 0.882 175.351 174.700 -0.385 0.000 1.005 591 T CA -0.361 61.541 62.100 -0.329 0.000 0.902 591 T CB -0.943 67.886 68.868 -0.065 0.000 1.102 591 T HN 0.463 nan 8.240 nan 0.000 0.548 592 F N 0.931 120.823 119.950 -0.096 0.000 2.250 592 F HA 0.051 4.578 4.527 -0.000 0.000 0.301 592 F C 1.774 177.545 175.800 -0.048 0.000 1.077 592 F CA -0.007 58.015 58.000 0.037 0.000 1.348 592 F CB -0.838 38.252 39.000 0.149 0.000 1.040 592 F HN 0.415 nan 8.300 nan 0.000 0.509 593 W N 1.657 122.363 121.300 -0.990 0.000 3.180 593 W HA 0.234 4.893 4.660 -0.000 0.000 0.254 593 W C 0.297 176.574 176.519 -0.404 0.000 1.318 593 W CA -0.227 56.622 57.345 -0.826 0.000 1.608 593 W CB -1.345 27.536 29.460 -0.965 0.000 1.124 593 W HN 0.234 nan 8.180 nan 0.000 0.694 594 Q N 2.297 121.622 119.800 -0.791 0.000 2.245 594 Q HA 0.149 4.489 4.340 -0.000 0.000 0.256 594 Q C -0.207 175.543 176.000 -0.416 0.000 0.942 594 Q CA -0.525 54.891 55.803 -0.645 0.000 0.896 594 Q CB 1.118 29.224 28.738 -1.054 0.000 1.272 594 Q HN -0.096 nan 8.270 nan 0.000 0.442 595 N N 2.524 120.994 118.700 -0.384 0.000 2.470 595 N HA -0.000 4.739 4.740 -0.000 0.000 0.268 595 N C -0.805 174.359 175.510 -0.576 0.000 1.136 595 N CA 0.338 53.181 53.050 -0.346 0.000 0.961 595 N CB 0.453 38.807 38.487 -0.221 0.000 1.067 595 N HN 0.674 nan 8.380 nan 0.000 0.468 596 H N 2.811 121.665 119.070 -0.360 0.000 2.562 596 H HA 0.188 4.744 4.556 -0.000 0.000 0.249 596 H C 1.171 176.351 175.328 -0.248 0.000 1.195 596 H CA 0.281 56.127 56.048 -0.337 0.000 0.938 596 H CB 0.480 29.897 29.762 -0.575 0.000 1.891 596 H HN 0.894 nan 8.280 nan 0.000 0.595 597 G N 1.501 110.225 108.800 -0.128 0.000 2.562 597 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.250 597 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.250 597 G C 1.000 175.870 174.900 -0.050 0.000 1.269 597 G CA 0.285 45.344 45.100 -0.068 0.000 0.919 597 G HN 0.424 nan 8.290 nan 0.000 0.574 598 E N 0.044 120.250 120.200 0.011 0.000 2.160 598 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 598 E C 2.867 179.438 176.600 -0.048 0.000 0.991 598 E CA 1.400 57.857 56.400 0.095 0.000 0.810 598 E CB -0.229 29.671 29.700 0.334 0.000 0.742 598 E HN 0.361 nan 8.360 nan 0.000 0.466 599 S N 0.595 116.154 115.700 -0.236 0.000 2.399 599 S HA -0.130 4.340 4.470 -0.000 0.000 0.231 599 S C 0.886 175.338 174.600 -0.248 0.000 1.022 599 S CA 0.915 58.945 58.200 -0.284 0.000 0.983 599 S CB -0.014 63.023 63.200 -0.272 0.000 0.803 599 S HN 0.148 nan 8.310 nan 0.000 0.480 600 N N 0.841 119.347 118.700 -0.323 0.000 2.824 600 N HA 0.136 4.876 4.740 -0.000 0.000 0.224 600 N C -2.255 173.133 175.510 -0.204 0.000 1.418 600 N CA -0.188 52.647 53.050 -0.358 0.000 0.743 600 N CB 0.754 38.729 38.487 -0.853 0.000 1.395 600 N HN -0.139 nan 8.380 nan 0.000 0.548 601 D N 1.915 122.258 120.400 -0.096 0.000 2.508 601 D HA 0.179 4.819 4.640 -0.000 0.000 0.224 601 D C -0.144 176.136 176.300 -0.033 0.000 1.171 601 D CA -0.056 53.913 54.000 -0.052 0.000 1.006 601 D CB 0.065 40.871 40.800 0.010 0.000 1.073 601 D HN 0.226 nan 8.370 nan 0.000 0.513 602 V N 0.122 120.000 119.914 -0.060 0.000 3.113 602 V HA 0.644 4.764 4.120 -0.000 0.000 0.316 602 V C -0.365 175.706 176.094 -0.040 0.000 1.125 602 V CA -1.111 61.171 62.300 -0.029 0.000 1.026 602 V CB 2.144 33.956 31.823 -0.019 0.000 1.080 602 V HN 0.126 nan 8.190 nan 0.000 0.444 603 D N 1.576 121.965 120.400 -0.018 0.000 2.453 603 D HA 0.536 5.176 4.640 -0.000 0.000 0.238 603 D C -1.834 174.454 176.300 -0.020 0.000 1.088 603 D CA -2.231 51.755 54.000 -0.023 0.000 0.854 603 D CB 2.205 42.996 40.800 -0.014 0.000 1.076 603 D HN 0.268 nan 8.370 nan 0.000 0.533 604 P HA -0.148 nan 4.420 nan 0.000 0.216 604 P C 1.071 178.336 177.300 -0.058 0.000 1.150 604 P CA 1.168 64.262 63.100 -0.010 0.000 0.843 604 P CB 0.162 31.878 31.700 0.026 0.000 0.787 605 A N 0.146 122.935 122.820 -0.053 0.000 2.067 605 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 605 A C 2.231 179.786 177.584 -0.048 0.000 1.158 605 A CA 1.932 53.933 52.037 -0.060 0.000 0.661 605 A CB -1.311 17.661 19.000 -0.047 0.000 0.801 605 A HN 0.381 nan 8.150 nan 0.000 0.452 606 S N -1.018 114.664 115.700 -0.031 0.000 2.558 606 S HA 0.285 4.755 4.470 -0.000 0.000 0.217 606 S C 0.435 175.029 174.600 -0.010 0.000 0.975 606 S CA -0.224 57.966 58.200 -0.016 0.000 0.912 606 S CB -0.362 62.837 63.200 -0.001 0.000 0.776 606 S HN 0.362 nan 8.310 nan 0.000 0.526 607 I N 2.649 123.204 120.570 -0.025 0.000 2.297 607 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 607 I C 0.535 176.613 176.117 -0.064 0.000 1.033 607 I CA -0.530 60.764 61.300 -0.011 0.000 1.253 607 I CB 1.552 39.547 38.000 -0.009 0.000 1.396 607 I HN 0.065 nan 8.210 nan 0.000 0.476 608 Q N 3.391 123.173 119.800 -0.029 0.000 2.320 608 Q HA 0.121 4.460 4.340 -0.000 0.000 0.201 608 Q C 0.315 176.286 176.000 -0.048 0.000 0.910 608 Q CA 0.104 55.875 55.803 -0.052 0.000 0.946 608 Q CB -0.092 28.637 28.738 -0.016 0.000 1.062 608 Q HN 0.591 nan 8.270 nan 0.000 0.503 609 T N 2.210 116.756 114.554 -0.014 0.000 2.928 609 T HA 0.048 4.398 4.350 -0.000 0.000 0.305 609 T C 0.288 174.924 174.700 -0.108 0.000 1.035 609 T CA 0.166 62.284 62.100 0.030 0.000 1.145 609 T CB 0.780 69.775 68.868 0.212 0.000 0.963 609 T HN 0.100 nan 8.240 nan 0.000 0.545 610 E N 1.785 121.966 120.200 -0.032 0.000 2.194 610 E HA 0.353 4.703 4.350 -0.000 0.000 0.284 610 E C -0.730 175.783 176.600 -0.146 0.000 1.035 610 E CA -0.475 55.809 56.400 -0.194 0.000 0.836 610 E CB 1.008 30.755 29.700 0.079 0.000 1.070 610 E HN 0.267 nan 8.360 nan 0.000 0.401 611 V N 4.874 124.536 119.914 -0.420 0.000 2.417 611 V HA 0.318 4.437 4.120 -0.000 0.000 0.291 611 V C -0.731 175.280 176.094 -0.138 0.000 1.024 611 V CA -0.694 61.564 62.300 -0.070 0.000 0.861 611 V CB 0.594 32.445 31.823 0.048 0.000 0.985 611 V HN 0.509 nan 8.190 nan 0.000 0.436 612 F N 3.905 124.013 119.950 0.263 0.000 2.427 612 F HA 0.626 5.153 4.527 -0.000 0.000 0.346 612 F C 0.441 176.351 175.800 0.183 0.000 1.120 612 F CA -0.552 57.596 58.000 0.248 0.000 1.033 612 F CB 1.390 40.499 39.000 0.181 0.000 1.126 612 F HN 0.320 nan 8.300 nan 0.000 0.462 613 R N 4.850 125.477 120.500 0.213 0.000 2.275 613 R HA 0.579 4.919 4.340 -0.000 0.000 0.326 613 R C -1.760 174.512 176.300 -0.045 0.000 0.973 613 R CA -0.379 55.729 56.100 0.013 0.000 0.854 613 R CB 0.548 30.638 30.300 -0.351 0.000 1.156 613 R HN 0.744 nan 8.270 nan 0.000 0.487 614 L N 6.750 128.000 121.223 0.044 0.000 2.287 614 L HA 0.525 4.865 4.340 -0.000 0.000 0.287 614 L C -2.022 174.917 176.870 0.115 0.000 1.022 614 L CA -2.253 52.612 54.840 0.042 0.000 0.814 614 L CB 1.995 44.213 42.059 0.265 0.000 1.217 614 L HN 0.487 nan 8.230 nan 0.000 0.420 615 P HA 0.092 nan 4.420 nan 0.000 0.281 615 P C -0.545 176.889 177.300 0.224 0.000 1.286 615 P CA -0.113 63.046 63.100 0.098 0.000 0.772 615 P CB 1.364 33.061 31.700 -0.006 0.000 0.862 616 S N 2.586 118.358 115.700 0.120 0.000 2.747 616 S HA 0.594 5.064 4.470 -0.000 0.000 0.300 616 S C 0.442 175.065 174.600 0.039 0.000 1.121 616 S CA -0.418 57.842 58.200 0.100 0.000 0.995 616 S CB 0.412 63.654 63.200 0.071 0.000 1.113 616 S HN 0.498 nan 8.310 nan 0.000 0.547 617 T N -0.924 113.639 114.554 0.015 0.000 2.766 617 T HA 0.486 4.836 4.350 -0.000 0.000 0.295 617 T C 0.890 175.579 174.700 -0.018 0.000 1.024 617 T CA -0.341 61.744 62.100 -0.024 0.000 1.018 617 T CB -0.417 68.431 68.868 -0.034 0.000 1.002 617 T HN 1.274 nan 8.240 nan 0.000 0.532 618 C N 0.652 119.913 119.300 -0.064 0.000 2.803 618 C HA 0.738 5.198 4.460 -0.000 0.000 0.389 618 C C 1.847 176.805 174.990 -0.052 0.000 1.433 618 C CA -0.676 58.351 59.018 0.015 0.000 1.714 618 C CB -0.408 27.297 27.740 -0.058 0.000 2.106 618 C HN 0.911 nan 8.230 nan 0.000 0.480 619 F N 0.992 120.913 119.950 -0.049 0.000 2.147 619 F HA -0.001 4.526 4.527 -0.000 0.000 0.301 619 F C 1.957 177.646 175.800 -0.185 0.000 1.084 619 F CA 1.873 59.773 58.000 -0.166 0.000 1.268 619 F CB -1.503 37.363 39.000 -0.223 0.000 1.009 619 F HN 0.639 nan 8.300 nan 0.000 0.486 620 A N -0.104 121.855 122.820 -1.435 0.000 2.206 620 A HA 0.047 4.367 4.320 -0.000 0.000 0.211 620 A C 1.587 178.908 177.584 -0.438 0.000 1.158 620 A CA 0.911 52.333 52.037 -1.025 0.000 0.761 620 A CB -0.796 17.496 19.000 -1.181 0.000 0.801 620 A HN 0.614 nan 8.150 nan 0.000 0.473 621 E N -0.370 119.638 120.200 -0.319 0.000 2.558 621 E HA 0.219 4.569 4.350 -0.000 0.000 0.205 621 E C -0.410 176.140 176.600 -0.082 0.000 1.006 621 E CA -0.014 56.288 56.400 -0.164 0.000 0.961 621 E CB 0.502 30.114 29.700 -0.146 0.000 1.044 621 E HN 0.616 nan 8.360 nan 0.000 0.465 622 E N 0.958 121.125 120.200 -0.055 0.000 2.433 622 E HA 0.104 4.454 4.350 -0.000 0.000 0.278 622 E C -1.520 175.087 176.600 0.011 0.000 0.976 622 E CA -0.866 55.525 56.400 -0.015 0.000 0.793 622 E CB 1.609 31.297 29.700 -0.020 0.000 1.311 622 E HN 0.050 nan 8.360 nan 0.000 0.460 623 D N 0.044 120.395 120.400 -0.082 0.000 2.332 623 D HA 0.709 5.348 4.640 -0.000 0.000 0.252 623 D C 0.319 176.187 176.300 -0.720 0.000 1.050 623 D CA -0.581 53.219 54.000 -0.332 0.000 0.970 623 D CB 1.730 42.456 40.800 -0.122 0.000 1.141 623 D HN 0.626 nan 8.370 nan 0.000 0.485 624 G N -0.783 106.986 108.800 -1.720 0.000 2.343 624 G HA2 0.445 4.404 3.960 -0.000 0.000 0.289 624 G HA3 0.445 4.404 3.960 -0.000 0.000 0.289 624 G C -1.416 172.250 174.900 -2.056 0.000 1.295 624 G CA -0.252 43.789 45.100 -1.764 0.000 0.869 624 G HN 1.017 nan 8.290 nan 0.000 0.522 625 S N -1.159 113.940 115.700 -1.002 0.000 2.600 625 S HA 0.873 5.343 4.470 -0.000 0.000 0.300 625 S C -0.313 174.234 174.600 -0.087 0.000 1.087 625 S CA -0.344 57.586 58.200 -0.450 0.000 0.965 625 S CB 1.816 64.975 63.200 -0.069 0.000 1.089 625 S HN 1.778 nan 8.310 nan 0.000 0.496 626 I N -1.948 118.666 120.570 0.073 0.000 2.722 626 I HA 0.864 5.034 4.170 -0.000 0.000 0.295 626 I C -0.701 175.535 176.117 0.197 0.000 1.161 626 I CA -1.586 59.805 61.300 0.151 0.000 1.032 626 I CB 1.868 39.968 38.000 0.167 0.000 1.244 626 I HN 0.789 nan 8.210 nan 0.000 0.421 627 A N 4.317 127.275 122.820 0.230 0.000 2.249 627 A HA 0.526 4.846 4.320 -0.000 0.000 0.314 627 A C -0.022 177.726 177.584 0.273 0.000 1.290 627 A CA -0.619 51.590 52.037 0.287 0.000 0.893 627 A CB 0.218 19.438 19.000 0.368 0.000 1.165 627 A HN 0.874 nan 8.150 nan 0.000 0.530 628 N N 1.530 120.390 118.700 0.267 0.000 2.322 628 N HA 0.034 4.774 4.740 -0.000 0.000 0.270 628 N C 1.016 176.642 175.510 0.193 0.000 1.286 628 N CA 0.370 53.558 53.050 0.229 0.000 0.948 628 N CB 0.342 38.952 38.487 0.205 0.000 1.164 628 N HN 0.307 nan 8.380 nan 0.000 0.551 629 S N -1.754 114.081 115.700 0.224 0.000 2.419 629 S HA -0.024 4.446 4.470 -0.000 0.000 0.235 629 S C 1.478 175.968 174.600 -0.183 0.000 1.019 629 S CA 1.294 59.518 58.200 0.041 0.000 0.982 629 S CB -1.043 62.189 63.200 0.053 0.000 0.789 629 S HN 0.792 nan 8.310 nan 0.000 0.490 630 G N -0.323 108.332 108.800 -0.242 0.000 3.088 630 G HA2 0.195 4.154 3.960 -0.000 0.000 0.212 630 G HA3 0.195 4.154 3.960 -0.000 0.000 0.212 630 G C 0.482 175.320 174.900 -0.103 0.000 1.173 630 G CA -0.235 44.683 45.100 -0.304 0.000 0.779 630 G HN 0.516 nan 8.290 nan 0.000 0.540 631 R N -2.651 117.832 120.500 -0.028 0.000 3.862 631 R HA -0.116 4.224 4.340 -0.000 0.000 0.398 631 R C -0.705 175.715 176.300 0.200 0.000 1.110 631 R CA 0.373 56.438 56.100 -0.058 0.000 1.010 631 R CB -1.794 28.114 30.300 -0.654 0.000 1.613 631 R HN 0.353 nan 8.270 nan 0.000 0.530 632 W N 1.401 122.704 121.300 0.005 0.000 2.358 632 W HA 0.354 5.014 4.660 -0.000 0.000 0.307 632 W C 0.109 176.721 176.519 0.154 0.000 1.203 632 W CA -0.872 56.507 57.345 0.058 0.000 1.279 632 W CB 0.242 29.774 29.460 0.120 0.000 1.264 632 W HN -0.065 nan 8.180 nan 0.000 0.474 633 L N 4.507 125.950 121.223 0.366 0.000 2.325 633 L HA 0.160 4.500 4.340 -0.000 0.000 0.284 633 L C 0.483 177.530 176.870 0.294 0.000 1.089 633 L CA 0.219 55.230 54.840 0.286 0.000 0.836 633 L CB -0.078 42.114 42.059 0.221 0.000 1.184 633 L HN 0.284 nan 8.230 nan 0.000 0.444 634 Q N 3.106 123.079 119.800 0.288 0.000 2.316 634 Q HA 0.249 4.589 4.340 -0.000 0.000 0.264 634 Q C -0.951 175.148 176.000 0.165 0.000 0.987 634 Q CA -0.570 55.408 55.803 0.291 0.000 0.852 634 Q CB 2.379 31.362 28.738 0.409 0.000 1.287 634 Q HN 0.576 nan 8.270 nan 0.000 0.448 635 W N 5.069 126.282 121.300 -0.144 0.000 2.251 635 W HA 0.185 4.845 4.660 -0.000 0.000 0.329 635 W C -0.506 175.691 176.519 -0.536 0.000 1.234 635 W CA 0.265 57.329 57.345 -0.467 0.000 1.228 635 W CB 0.999 30.058 29.460 -0.669 0.000 1.135 635 W HN 0.753 nan 8.180 nan 0.000 0.576 636 H N 2.258 120.749 119.070 -0.965 0.000 2.961 636 H HA 0.399 4.955 4.556 -0.000 0.000 0.371 636 H C -1.272 173.650 175.328 -0.677 0.000 1.190 636 H CA -0.866 54.872 56.048 -0.516 0.000 1.138 636 H CB 1.132 30.793 29.762 -0.168 0.000 1.816 636 H HN 0.458 nan 8.280 nan 0.000 0.551 637 W N 1.328 122.722 121.300 0.157 0.000 2.706 637 W HA 0.314 4.974 4.660 -0.000 0.000 0.346 637 W C 0.073 176.637 176.519 0.075 0.000 1.071 637 W CA -0.767 56.649 57.345 0.118 0.000 1.206 637 W CB 2.636 32.173 29.460 0.128 0.000 1.413 637 W HN 0.537 nan 8.180 nan 0.000 0.542 638 K N 0.731 121.281 120.400 0.250 0.000 2.379 638 K HA 0.262 4.582 4.320 -0.000 0.000 0.284 638 K C 0.970 177.611 176.600 0.069 0.000 1.044 638 K CA 0.429 56.777 56.287 0.102 0.000 0.974 638 K CB 0.708 33.256 32.500 0.079 0.000 0.962 638 K HN 0.677 nan 8.250 nan 0.000 0.474 639 G N 3.381 112.171 108.800 -0.017 0.000 2.762 639 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.209 639 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.209 639 G C -0.302 174.576 174.900 -0.036 0.000 1.134 639 G CA 0.191 45.271 45.100 -0.034 0.000 0.781 639 G HN 0.732 nan 8.290 nan 0.000 0.528 640 Q N -0.337 119.429 119.800 -0.056 0.000 2.630 640 Q HA 0.444 4.784 4.340 -0.000 0.000 0.295 640 Q C -2.115 173.859 176.000 -0.044 0.000 0.944 640 Q CA -0.986 54.793 55.803 -0.038 0.000 0.766 640 Q CB 0.988 29.698 28.738 -0.047 0.000 1.471 640 Q HN -0.103 nan 8.270 nan 0.000 0.416 641 D N 0.477 120.863 120.400 -0.023 0.000 2.358 641 D HA 0.539 5.179 4.640 -0.000 0.000 0.244 641 D C -0.468 175.808 176.300 -0.040 0.000 1.163 641 D CA 0.176 54.163 54.000 -0.022 0.000 0.945 641 D CB 1.206 42.006 40.800 0.000 0.000 1.152 641 D HN 0.663 nan 8.370 nan 0.000 0.451 642 A N 1.270 124.069 122.820 -0.035 0.000 2.287 642 A HA 0.520 4.840 4.320 -0.000 0.000 0.273 642 A C -2.174 175.390 177.584 -0.033 0.000 1.091 642 A CA -0.904 51.105 52.037 -0.048 0.000 0.817 642 A CB -0.115 18.865 19.000 -0.033 0.000 1.069 642 A HN 0.418 nan 8.150 nan 0.000 0.492 643 P HA 0.388 nan 4.420 nan 0.000 0.274 643 P C 0.906 178.166 177.300 -0.067 0.000 1.237 643 P CA 1.079 64.145 63.100 -0.056 0.000 0.793 643 P CB 0.578 32.230 31.700 -0.081 0.000 0.977 644 G N 2.599 111.361 108.800 -0.063 0.000 2.611 644 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.301 644 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.301 644 G C 0.292 175.220 174.900 0.047 0.000 1.233 644 G CA 0.418 45.470 45.100 -0.080 0.000 0.993 644 G HN 0.608 nan 8.290 nan 0.000 0.553 645 E N 1.371 121.621 120.200 0.084 0.000 2.496 645 E HA 0.531 4.881 4.350 -0.000 0.000 0.200 645 E C 1.022 177.864 176.600 0.404 0.000 1.016 645 E CA 0.142 56.718 56.400 0.294 0.000 0.962 645 E CB 0.528 30.488 29.700 0.433 0.000 1.071 645 E HN 0.823 nan 8.360 nan 0.000 0.457 646 A N 1.839 124.783 122.820 0.206 0.000 2.531 646 A HA 0.165 4.485 4.320 -0.000 0.000 0.236 646 A C 0.284 177.980 177.584 0.186 0.000 1.062 646 A CA 0.361 52.536 52.037 0.229 0.000 0.760 646 A CB 0.332 19.372 19.000 0.067 0.000 0.995 646 A HN 0.181 nan 8.150 nan 0.000 0.501 647 R N 0.685 121.274 120.500 0.148 0.000 2.912 647 R HA 0.350 4.690 4.340 -0.000 0.000 0.262 647 R C -0.594 175.684 176.300 -0.037 0.000 1.057 647 R CA -0.935 55.127 56.100 -0.063 0.000 0.981 647 R CB 1.113 31.168 30.300 -0.408 0.000 1.201 647 R HN 0.926 nan 8.270 nan 0.000 0.484 648 N N -0.391 118.272 118.700 -0.062 0.000 2.513 648 N HA -0.012 4.728 4.740 -0.000 0.000 0.274 648 N C 0.077 175.564 175.510 -0.038 0.000 1.189 648 N CA -0.091 52.935 53.050 -0.039 0.000 0.975 648 N CB 0.584 39.046 38.487 -0.042 0.000 1.157 648 N HN 0.444 nan 8.380 nan 0.000 0.465 649 D N 1.176 121.561 120.400 -0.026 0.000 2.123 649 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 649 D C 1.613 177.883 176.300 -0.050 0.000 0.992 649 D CA 1.836 55.821 54.000 -0.025 0.000 0.833 649 D CB -0.429 40.354 40.800 -0.028 0.000 0.954 649 D HN 0.835 nan 8.370 nan 0.000 0.455 650 G N 0.868 109.629 108.800 -0.066 0.000 2.408 650 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 650 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 650 G C 1.503 176.393 174.900 -0.017 0.000 1.150 650 G CA 0.387 45.447 45.100 -0.066 0.000 0.776 650 G HN 0.309 nan 8.290 nan 0.000 0.542 651 E N -0.097 120.083 120.200 -0.034 0.000 2.150 651 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 651 E C 2.420 178.981 176.600 -0.066 0.000 0.985 651 E CA 0.373 56.754 56.400 -0.031 0.000 0.814 651 E CB -0.067 29.587 29.700 -0.077 0.000 0.752 651 E HN 0.495 nan 8.360 nan 0.000 0.466 652 I N 0.732 121.276 120.570 -0.044 0.000 2.286 652 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 652 I C 2.226 178.343 176.117 -0.001 0.000 1.104 652 I CA 0.860 62.207 61.300 0.079 0.000 1.397 652 I CB -0.139 37.957 38.000 0.161 0.000 1.072 652 I HN 0.088 nan 8.210 nan 0.000 0.417 653 L N 0.655 121.820 121.223 -0.097 0.000 2.046 653 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 653 L C 2.839 179.594 176.870 -0.191 0.000 1.077 653 L CA 1.385 56.074 54.840 -0.251 0.000 0.747 653 L CB -0.714 41.155 42.059 -0.316 0.000 0.896 653 L HN 0.218 nan 8.230 nan 0.000 0.432 654 A N 0.206 122.945 122.820 -0.135 0.000 1.972 654 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 654 A C 2.391 179.690 177.584 -0.474 0.000 1.169 654 A CA 1.630 53.464 52.037 -0.337 0.000 0.635 654 A CB -1.194 17.816 19.000 0.018 0.000 0.810 654 A HN 0.445 nan 8.150 nan 0.000 0.446 655 G N 0.259 108.738 108.800 -0.535 0.000 2.453 655 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 655 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 655 G C 1.532 175.962 174.900 -0.783 0.000 1.201 655 G CA 1.146 45.555 45.100 -1.153 0.000 0.784 655 G HN 0.463 nan 8.290 nan 0.000 0.545 656 I N -0.816 119.465 120.570 -0.481 0.000 2.163 656 I HA -0.192 3.978 4.170 -0.000 0.000 0.243 656 I C 2.495 178.681 176.117 0.115 0.000 1.085 656 I CA 1.247 62.566 61.300 0.031 0.000 1.347 656 I CB -0.311 37.876 38.000 0.312 0.000 1.044 656 I HN 0.166 nan 8.210 nan 0.000 0.408 657 Y N 1.380 121.605 120.300 -0.125 0.000 2.145 657 Y HA -0.271 4.279 4.550 -0.000 0.000 0.286 657 Y C 2.849 178.521 175.900 -0.380 0.000 1.145 657 Y CA 1.735 59.656 58.100 -0.299 0.000 1.148 657 Y CB -0.402 37.685 38.460 -0.621 0.000 0.981 657 Y HN 0.215 nan 8.280 nan 0.000 0.507 658 H N -1.663 117.275 119.070 -0.219 0.000 2.395 658 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 658 H C 2.300 177.550 175.328 -0.130 0.000 1.070 658 H CA 1.685 57.569 56.048 -0.274 0.000 1.356 658 H CB -0.614 28.961 29.762 -0.312 0.000 1.401 658 H HN 0.540 nan 8.280 nan 0.000 0.524 659 H N -0.011 119.055 119.070 -0.007 0.000 2.290 659 H HA -0.126 4.430 4.556 -0.000 0.000 0.298 659 H C 2.378 177.688 175.328 -0.030 0.000 1.087 659 H CA 1.284 57.344 56.048 0.020 0.000 1.291 659 H CB -0.150 29.657 29.762 0.075 0.000 1.369 659 H HN 0.143 nan 8.280 nan 0.000 0.492 660 L N 1.532 122.801 121.223 0.077 0.000 1.989 660 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 660 L C 2.476 179.330 176.870 -0.027 0.000 1.071 660 L CA 1.593 56.441 54.840 0.013 0.000 0.749 660 L CB -0.418 41.636 42.059 -0.009 0.000 0.890 660 L HN 0.077 nan 8.230 nan 0.000 0.431 661 R N -0.649 119.729 120.500 -0.203 0.000 2.148 661 R HA -0.102 4.238 4.340 -0.000 0.000 0.227 661 R C 1.994 178.231 176.300 -0.104 0.000 1.103 661 R CA 1.103 57.067 56.100 -0.228 0.000 0.983 661 R CB -0.353 29.668 30.300 -0.465 0.000 0.874 661 R HN 0.508 nan 8.270 nan 0.000 0.451 662 E N 1.038 121.180 120.200 -0.096 0.000 2.072 662 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 662 E C 2.222 178.775 176.600 -0.078 0.000 0.982 662 E CA 0.711 57.058 56.400 -0.088 0.000 0.803 662 E CB -0.154 29.482 29.700 -0.106 0.000 0.755 662 E HN 0.329 nan 8.360 nan 0.000 0.453 663 L N -0.031 121.143 121.223 -0.082 0.000 2.043 663 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 663 L C 2.534 179.284 176.870 -0.200 0.000 1.075 663 L CA 1.472 56.226 54.840 -0.144 0.000 0.752 663 L CB -0.601 41.346 42.059 -0.187 0.000 0.891 663 L HN 0.142 nan 8.230 nan 0.000 0.432 664 Y N -0.349 119.855 120.300 -0.160 0.000 2.242 664 Y HA -0.291 4.258 4.550 -0.000 0.000 0.291 664 Y C 2.829 178.639 175.900 -0.151 0.000 1.137 664 Y CA 1.493 59.486 58.100 -0.177 0.000 1.181 664 Y CB -0.247 38.075 38.460 -0.231 0.000 0.989 664 Y HN 0.185 nan 8.280 nan 0.000 0.527 665 Q N 0.498 120.294 119.800 -0.006 0.000 2.084 665 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 665 Q C 2.228 178.195 176.000 -0.054 0.000 0.978 665 Q CA 2.316 58.094 55.803 -0.042 0.000 0.844 665 Q CB -0.378 28.323 28.738 -0.062 0.000 0.898 665 Q HN 0.408 nan 8.270 nan 0.000 0.426 666 S N -1.716 113.942 115.700 -0.070 0.000 2.486 666 S HA 0.082 4.552 4.470 -0.000 0.000 0.220 666 S C 1.232 175.782 174.600 -0.083 0.000 1.011 666 S CA 0.473 58.631 58.200 -0.071 0.000 0.921 666 S CB 0.046 63.205 63.200 -0.069 0.000 0.785 666 S HN 0.495 nan 8.310 nan 0.000 0.517 667 E N 0.886 121.016 120.200 -0.116 0.000 2.490 667 E HA 0.413 4.763 4.350 -0.000 0.000 0.209 667 E C 1.134 177.660 176.600 -0.122 0.000 0.971 667 E CA 0.038 56.361 56.400 -0.129 0.000 0.988 667 E CB 0.594 30.185 29.700 -0.182 0.000 1.029 667 E HN 0.568 nan 8.360 nan 0.000 0.496 668 G N 0.835 109.576 108.800 -0.098 0.000 2.697 668 G HA2 0.001 3.960 3.960 -0.000 0.000 0.240 668 G HA3 0.001 3.960 3.960 -0.000 0.000 0.240 668 G C 0.309 175.159 174.900 -0.083 0.000 1.346 668 G CA -0.416 44.659 45.100 -0.042 0.000 0.887 668 G HN 0.742 nan 8.290 nan 0.000 0.569 669 G N -1.944 106.855 108.800 -0.002 0.000 2.351 669 G HA2 0.533 4.493 3.960 -0.000 0.000 0.279 669 G HA3 0.533 4.493 3.960 -0.000 0.000 0.279 669 G C -0.792 174.132 174.900 0.039 0.000 1.297 669 G CA 0.156 45.248 45.100 -0.012 0.000 0.886 669 G HN 0.817 nan 8.290 nan 0.000 0.493 670 K N -0.337 120.066 120.400 0.004 0.000 2.087 670 K HA 0.503 4.823 4.320 -0.000 0.000 0.255 670 K C 1.081 177.403 176.600 -0.464 0.000 0.988 670 K CA 0.322 56.540 56.287 -0.115 0.000 0.915 670 K CB 1.196 33.679 32.500 -0.027 0.000 1.043 670 K HN 1.892 nan 8.250 nan 0.000 0.457 671 G N 0.524 108.973 108.800 -0.585 0.000 2.321 671 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.287 671 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.287 671 G C 0.704 175.208 174.900 -0.661 0.000 1.018 671 G CA 0.517 45.075 45.100 -0.904 0.000 0.855 671 G HN 0.358 nan 8.290 nan 0.000 0.507 672 V N -0.495 119.169 119.914 -0.416 0.000 2.295 672 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 672 V C 2.502 178.372 176.094 -0.372 0.000 1.049 672 V CA 2.750 64.810 62.300 -0.399 0.000 1.024 672 V CB -0.420 31.301 31.823 -0.170 0.000 0.648 672 V HN 0.684 nan 8.190 nan 0.000 0.447 673 E N 0.396 120.436 120.200 -0.266 0.000 2.031 673 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 673 E C -0.137 176.136 176.600 -0.545 0.000 0.994 673 E CA 1.699 57.910 56.400 -0.314 0.000 0.800 673 E CB -0.822 28.808 29.700 -0.116 0.000 0.752 673 E HN 0.499 nan 8.360 nan 0.000 0.447 674 P HA -0.178 nan 4.420 nan 0.000 0.216 674 P C 1.618 178.719 177.300 -0.332 0.000 1.153 674 P CA 0.957 63.814 63.100 -0.404 0.000 0.858 674 P CB -0.130 31.574 31.700 0.007 0.000 0.789 675 L N -1.251 119.750 121.223 -0.371 0.000 2.027 675 L HA -0.080 4.260 4.340 -0.000 0.000 0.206 675 L C 2.171 178.837 176.870 -0.341 0.000 1.074 675 L CA 2.159 56.774 54.840 -0.376 0.000 0.745 675 L CB -1.240 40.448 42.059 -0.617 0.000 0.898 675 L HN -0.172 nan 8.230 nan 0.000 0.433 676 M N -0.880 118.493 119.600 -0.379 0.000 2.394 676 M HA -0.043 4.436 4.480 -0.000 0.000 0.264 676 M C 1.794 177.939 176.300 -0.259 0.000 1.073 676 M CA 1.008 56.127 55.300 -0.302 0.000 1.111 676 M CB -1.012 31.428 32.600 -0.266 0.000 1.401 676 M HN 0.186 nan 8.290 nan 0.000 0.448 677 K N 0.064 120.238 120.400 -0.376 0.000 2.365 677 K HA 0.095 4.415 4.320 -0.000 0.000 0.197 677 K C 0.688 177.308 176.600 0.033 0.000 1.042 677 K CA 0.020 56.096 56.287 -0.351 0.000 0.987 677 K CB -0.330 31.532 32.500 -1.064 0.000 0.779 677 K HN 0.272 nan 8.250 nan 0.000 0.484 678 M N 2.140 121.782 119.600 0.071 0.000 2.252 678 M HA -0.060 4.420 4.480 -0.000 0.000 0.348 678 M C 0.124 176.503 176.300 0.130 0.000 1.334 678 M CA -0.092 55.272 55.300 0.106 0.000 1.071 678 M CB 0.394 33.039 32.600 0.075 0.000 1.763 678 M HN 0.096 nan 8.290 nan 0.000 0.452 679 S N 5.210 120.969 115.700 0.098 0.000 2.592 679 S HA 0.331 4.801 4.470 -0.000 0.000 0.271 679 S C -0.418 174.309 174.600 0.210 0.000 1.326 679 S CA -0.611 57.654 58.200 0.109 0.000 1.024 679 S CB 0.566 63.782 63.200 0.025 0.000 0.921 679 S HN 0.906 nan 8.310 nan 0.000 0.527 680 W N 2.908 124.154 121.300 -0.091 0.000 1.023 680 W HA 0.230 4.890 4.660 -0.000 0.000 0.305 680 W C -0.486 175.817 176.519 -0.360 0.000 0.850 680 W CA -0.640 56.648 57.345 -0.095 0.000 1.790 680 W CB 0.154 29.748 29.460 0.223 0.000 1.654 680 W HN 0.833 nan 8.180 nan 0.000 0.495 681 N N 2.237 120.586 118.700 -0.585 0.000 3.193 681 N HA 0.009 4.749 4.740 -0.000 0.000 0.312 681 N C -1.125 173.980 175.510 -0.675 0.000 1.261 681 N CA 0.570 53.318 53.050 -0.503 0.000 1.208 681 N CB -0.508 37.765 38.487 -0.357 0.000 1.471 681 N HN -0.001 nan 8.380 nan 0.000 0.548 682 Y N -0.191 120.094 120.300 -0.026 0.000 2.420 682 Y HA 0.335 4.885 4.550 -0.000 0.000 0.334 682 Y C 1.552 177.456 175.900 0.007 0.000 1.094 682 Y CA -1.081 56.988 58.100 -0.052 0.000 1.126 682 Y CB 1.349 39.739 38.460 -0.117 0.000 1.217 682 Y HN 0.038 nan 8.280 nan 0.000 0.462 683 K N 0.532 121.017 120.400 0.141 0.000 2.097 683 K HA -0.119 4.200 4.320 -0.000 0.000 0.206 683 K C -0.211 176.456 176.600 0.112 0.000 1.049 683 K CA 1.306 57.646 56.287 0.089 0.000 0.933 683 K CB 0.071 32.608 32.500 0.061 0.000 0.717 683 K HN 0.639 nan 8.250 nan 0.000 0.442 684 Q N 0.042 119.931 119.800 0.147 0.000 2.456 684 Q HA 0.141 4.481 4.340 -0.000 0.000 0.252 684 Q C -2.271 173.883 176.000 0.256 0.000 1.042 684 Q CA -1.797 54.106 55.803 0.166 0.000 0.766 684 Q CB 1.773 30.590 28.738 0.132 0.000 1.196 684 Q HN -0.076 nan 8.270 nan 0.000 0.504 685 P HA -0.186 nan 4.420 nan 0.000 0.219 685 P C 0.568 178.165 177.300 0.495 0.000 1.146 685 P CA 1.198 64.570 63.100 0.453 0.000 0.808 685 P CB 0.256 32.046 31.700 0.150 0.000 0.779 686 H N -1.163 118.097 119.070 0.317 0.000 2.551 686 H HA 0.158 4.714 4.556 -0.000 0.000 0.266 686 H C 0.053 175.494 175.328 0.187 0.000 0.977 686 H CA 0.807 57.024 56.048 0.282 0.000 1.163 686 H CB 0.334 30.188 29.762 0.154 0.000 1.381 686 H HN 0.312 nan 8.280 nan 0.000 0.581 687 E N 0.932 121.276 120.200 0.241 0.000 3.284 687 E HA 0.199 4.549 4.350 -0.000 0.000 0.277 687 E C -2.804 173.811 176.600 0.025 0.000 1.218 687 E CA -1.866 54.598 56.400 0.106 0.000 0.925 687 E CB 1.534 31.283 29.700 0.083 0.000 1.409 687 E HN 0.131 nan 8.360 nan 0.000 0.388 688 P HA -0.034 nan 4.420 nan 0.000 0.267 688 P C -0.416 176.712 177.300 -0.286 0.000 1.205 688 P CA -0.010 62.847 63.100 -0.404 0.000 0.765 688 P CB 0.669 31.733 31.700 -1.059 0.000 0.828 689 Q N 1.497 121.174 119.800 -0.206 0.000 2.230 689 Q HA 0.220 4.560 4.340 -0.000 0.000 0.248 689 Q C 1.339 177.274 176.000 -0.109 0.000 0.915 689 Q CA -0.267 55.477 55.803 -0.100 0.000 0.900 689 Q CB 0.992 29.720 28.738 -0.016 0.000 1.229 689 Q HN 0.373 nan 8.270 nan 0.000 0.439 690 S N 1.872 117.555 115.700 -0.029 0.000 2.359 690 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 690 S C 1.225 175.927 174.600 0.169 0.000 1.035 690 S CA 1.857 60.077 58.200 0.034 0.000 1.018 690 S CB -0.113 63.101 63.200 0.024 0.000 0.876 690 S HN 0.758 nan 8.310 nan 0.000 0.448 691 D N 1.539 122.047 120.400 0.179 0.000 2.182 691 D HA -0.189 4.451 4.640 -0.000 0.000 0.201 691 D C 1.519 177.634 176.300 -0.309 0.000 0.986 691 D CA 1.220 55.132 54.000 -0.146 0.000 0.847 691 D CB -0.648 40.040 40.800 -0.186 0.000 0.942 691 D HN 0.512 nan 8.370 nan 0.000 0.467 692 E N 0.333 120.447 120.200 -0.144 0.000 2.031 692 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 692 E C 2.456 179.037 176.600 -0.031 0.000 0.994 692 E CA 1.157 57.517 56.400 -0.068 0.000 0.800 692 E CB -0.010 29.744 29.700 0.090 0.000 0.752 692 E HN 0.150 nan 8.360 nan 0.000 0.447 693 V N 1.532 121.412 119.914 -0.058 0.000 2.343 693 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 693 V C 2.358 178.446 176.094 -0.011 0.000 1.051 693 V CA 1.766 64.046 62.300 -0.032 0.000 1.036 693 V CB -0.821 30.915 31.823 -0.144 0.000 0.654 693 V HN 0.318 nan 8.190 nan 0.000 0.451 694 A N -0.088 122.728 122.820 -0.005 0.000 1.908 694 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 694 A C 2.311 179.836 177.584 -0.098 0.000 1.181 694 A CA 2.151 54.221 52.037 0.055 0.000 0.627 694 A CB -0.467 18.682 19.000 0.248 0.000 0.818 694 A HN 0.548 nan 8.150 nan 0.000 0.445 695 K N -0.447 119.752 120.400 -0.335 0.000 2.097 695 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 695 K C 1.995 178.460 176.600 -0.224 0.000 1.049 695 K CA 1.579 57.605 56.287 -0.435 0.000 0.933 695 K CB -0.164 32.020 32.500 -0.527 0.000 0.717 695 K HN 0.638 nan 8.250 nan 0.000 0.442 696 E N 0.564 120.758 120.200 -0.009 0.000 2.077 696 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 696 E C 1.812 178.426 176.600 0.024 0.000 0.989 696 E CA 0.932 57.388 56.400 0.093 0.000 0.800 696 E CB -0.024 29.740 29.700 0.107 0.000 0.746 696 E HN 0.256 nan 8.360 nan 0.000 0.452 697 N N 0.959 119.673 118.700 0.024 0.000 2.104 697 N HA -0.186 4.554 4.740 -0.000 0.000 0.190 697 N C 1.604 177.137 175.510 0.038 0.000 1.024 697 N CA 1.221 54.305 53.050 0.057 0.000 0.853 697 N CB -0.550 38.038 38.487 0.169 0.000 1.008 697 N HN 0.168 nan 8.380 nan 0.000 0.424 698 N N -0.199 118.484 118.700 -0.028 0.000 2.025 698 N HA -0.057 4.683 4.740 -0.000 0.000 0.194 698 N C 0.466 175.922 175.510 -0.091 0.000 1.044 698 N CA 1.619 54.619 53.050 -0.084 0.000 0.851 698 N CB -0.018 38.366 38.487 -0.172 0.000 1.036 698 N HN 0.332 nan 8.380 nan 0.000 0.422 699 G N -2.463 106.223 108.800 -0.190 0.000 2.539 699 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.686 699 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.686 699 G C -1.774 172.985 174.900 -0.235 0.000 1.258 699 G CA -0.515 44.524 45.100 -0.102 0.000 0.846 699 G HN 0.224 nan 8.290 nan 0.000 0.647 700 Y N -0.393 119.903 120.300 -0.006 0.000 2.545 700 Y HA 0.712 5.262 4.550 -0.000 0.000 0.348 700 Y C 0.704 176.605 175.900 0.002 0.000 1.002 700 Y CA -0.143 57.951 58.100 -0.011 0.000 1.039 700 Y CB 2.421 40.863 38.460 -0.029 0.000 1.271 700 Y HN 1.164 nan 8.280 nan 0.000 0.467 701 A N 2.733 125.664 122.820 0.186 0.000 2.309 701 A HA 0.441 4.761 4.320 -0.000 0.000 0.290 701 A C 0.187 177.820 177.584 0.082 0.000 1.206 701 A CA -0.314 51.781 52.037 0.097 0.000 0.850 701 A CB -0.039 18.989 19.000 0.046 0.000 1.118 701 A HN 0.957 nan 8.150 nan 0.000 0.523 702 L N 0.861 122.118 121.223 0.056 0.000 2.567 702 L HA 0.211 4.551 4.340 -0.000 0.000 0.225 702 L C 0.231 177.118 176.870 0.029 0.000 1.119 702 L CA 0.512 55.372 54.840 0.033 0.000 0.871 702 L CB -0.123 41.958 42.059 0.037 0.000 1.036 702 L HN 0.598 nan 8.230 nan 0.000 0.459 703 E N -0.619 119.598 120.200 0.028 0.000 2.433 703 E HA 0.253 4.603 4.350 -0.000 0.000 0.278 703 E C -1.309 175.290 176.600 -0.002 0.000 0.976 703 E CA -0.737 55.679 56.400 0.027 0.000 0.793 703 E CB 1.725 31.453 29.700 0.048 0.000 1.311 703 E HN -0.159 nan 8.360 nan 0.000 0.460 704 D N 1.189 121.582 120.400 -0.012 0.000 2.443 704 D HA 0.204 4.844 4.640 -0.000 0.000 0.239 704 D C -0.118 176.072 176.300 -0.184 0.000 1.136 704 D CA 0.487 54.419 54.000 -0.115 0.000 0.879 704 D CB 0.463 41.203 40.800 -0.101 0.000 1.195 704 D HN 0.165 nan 8.370 nan 0.000 0.443 705 L N 2.041 123.061 121.223 -0.338 0.000 2.365 705 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 705 L C -0.825 175.737 176.870 -0.513 0.000 1.000 705 L CA -0.999 53.683 54.840 -0.263 0.000 0.819 705 L CB 1.091 43.063 42.059 -0.145 0.000 1.284 705 L HN 0.264 nan 8.230 nan 0.000 0.418 706 Y N 0.015 120.294 120.300 -0.035 0.000 2.485 706 Y HA 0.343 4.892 4.550 -0.000 0.000 0.345 706 Y C 0.099 175.979 175.900 -0.034 0.000 0.998 706 Y CA -1.117 56.961 58.100 -0.036 0.000 1.059 706 Y CB 1.633 40.083 38.460 -0.016 0.000 1.234 706 Y HN 0.633 nan 8.280 nan 0.000 0.461 707 D N 0.752 121.223 120.400 0.119 0.000 2.414 707 D HA 0.198 4.838 4.640 -0.000 0.000 0.259 707 D C 1.004 177.357 176.300 0.088 0.000 1.269 707 D CA -0.169 53.871 54.000 0.067 0.000 1.028 707 D CB 0.568 41.393 40.800 0.041 0.000 1.093 707 D HN 0.577 nan 8.370 nan 0.000 0.545 708 A N -0.304 122.553 122.820 0.063 0.000 2.121 708 A HA -0.154 4.165 4.320 -0.000 0.000 0.218 708 A C 1.405 179.013 177.584 0.040 0.000 1.154 708 A CA 0.840 52.907 52.037 0.050 0.000 0.679 708 A CB -0.656 18.370 19.000 0.045 0.000 0.795 708 A HN 0.513 nan 8.150 nan 0.000 0.458 709 N N -0.709 118.018 118.700 0.044 0.000 2.398 709 N HA 0.183 4.922 4.740 -0.000 0.000 0.188 709 N C 1.088 176.617 175.510 0.032 0.000 1.122 709 N CA 0.962 54.032 53.050 0.032 0.000 0.866 709 N CB 0.360 38.865 38.487 0.031 0.000 0.970 709 N HN 0.607 nan 8.380 nan 0.000 0.462 710 G N -0.292 108.539 108.800 0.051 0.000 2.141 710 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 710 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 710 G C -0.186 174.800 174.900 0.143 0.000 0.982 710 G CA 0.166 45.282 45.100 0.027 0.000 0.662 710 G HN 0.182 nan 8.290 nan 0.000 0.527 711 V N 1.390 121.408 119.914 0.173 0.000 2.461 711 V HA 0.574 4.694 4.120 -0.000 0.000 0.275 711 V C 1.037 177.241 176.094 0.184 0.000 1.047 711 V CA -0.873 61.526 62.300 0.165 0.000 0.955 711 V CB 1.552 33.418 31.823 0.071 0.000 0.988 711 V HN 0.436 nan 8.190 nan 0.000 0.471 712 L N 6.376 127.671 121.223 0.121 0.000 2.559 712 L HA 0.107 4.447 4.340 -0.000 0.000 0.274 712 L C 1.009 177.766 176.870 -0.190 0.000 1.205 712 L CA 0.813 55.526 54.840 -0.213 0.000 0.907 712 L CB 0.150 42.110 42.059 -0.165 0.000 1.153 712 L HN 0.729 nan 8.230 nan 0.000 0.490 713 I N 1.990 122.388 120.570 -0.286 0.000 3.526 713 I HA 0.552 4.722 4.170 -0.000 0.000 0.294 713 I C 0.611 176.573 176.117 -0.257 0.000 1.229 713 I CA 0.332 61.462 61.300 -0.282 0.000 1.408 713 I CB 0.053 37.792 38.000 -0.435 0.000 1.127 713 I HN 0.613 nan 8.210 nan 0.000 0.439 714 A N 1.087 123.754 122.820 -0.255 0.000 2.589 714 A HA 0.620 4.939 4.320 -0.000 0.000 0.296 714 A C -1.150 176.336 177.584 -0.163 0.000 1.062 714 A CA -0.765 51.177 52.037 -0.159 0.000 0.686 714 A CB 1.325 20.261 19.000 -0.106 0.000 1.282 714 A HN 0.140 nan 8.150 nan 0.000 0.404 715 K N 1.057 121.399 120.400 -0.097 0.000 2.098 715 K HA 0.363 4.682 4.320 -0.000 0.000 0.261 715 K C 0.007 176.588 176.600 -0.031 0.000 0.987 715 K CA -0.695 55.548 56.287 -0.074 0.000 0.916 715 K CB 1.336 33.810 32.500 -0.043 0.000 1.039 715 K HN 0.700 nan 8.250 nan 0.000 0.455 716 K N 0.658 121.044 120.400 -0.022 0.000 2.504 716 K HA -0.130 4.190 4.320 -0.000 0.000 0.278 716 K C 0.682 177.291 176.600 0.015 0.000 1.025 716 K CA 1.404 57.692 56.287 0.002 0.000 1.093 716 K CB -0.233 32.269 32.500 0.003 0.000 0.873 716 K HN 0.790 nan 8.250 nan 0.000 0.483 717 G N 2.467 111.289 108.800 0.035 0.000 2.234 717 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.235 717 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.235 717 G C -0.077 174.917 174.900 0.157 0.000 0.997 717 G CA 0.072 45.197 45.100 0.041 0.000 0.623 717 G HN 0.638 nan 8.290 nan 0.000 0.514 718 Q N -0.027 119.853 119.800 0.134 0.000 2.306 718 Q HA 0.634 4.974 4.340 -0.000 0.000 0.241 718 Q C 0.469 176.540 176.000 0.118 0.000 0.948 718 Q CA -0.525 55.348 55.803 0.118 0.000 0.886 718 Q CB 1.212 29.974 28.738 0.040 0.000 1.227 718 Q HN 0.414 nan 8.270 nan 0.000 0.457 719 L N 2.316 123.522 121.223 -0.027 0.000 2.416 719 L HA 0.138 4.478 4.340 -0.000 0.000 0.272 719 L C -0.042 176.768 176.870 -0.099 0.000 1.161 719 L CA -0.133 54.562 54.840 -0.242 0.000 0.845 719 L CB 0.144 42.036 42.059 -0.277 0.000 1.119 719 L HN 0.376 nan 8.230 nan 0.000 0.464 720 L N 2.110 123.278 121.223 -0.093 0.000 2.452 720 L HA 0.110 4.450 4.340 -0.000 0.000 0.267 720 L C 1.227 178.087 176.870 -0.018 0.000 1.188 720 L CA 0.015 54.863 54.840 0.013 0.000 0.821 720 L CB 1.075 43.167 42.059 0.056 0.000 1.102 720 L HN 0.823 nan 8.230 nan 0.000 0.470 721 S N -1.152 114.567 115.700 0.033 0.000 2.524 721 S HA 0.131 4.600 4.470 -0.000 0.000 0.215 721 S C 0.400 174.909 174.600 -0.152 0.000 0.986 721 S CA -0.079 58.093 58.200 -0.048 0.000 0.911 721 S CB 0.436 63.640 63.200 0.006 0.000 0.805 721 S HN 0.619 nan 8.310 nan 0.000 0.501 722 S N 0.169 115.707 115.700 -0.271 0.000 2.543 722 S HA 0.481 4.951 4.470 -0.000 0.000 0.274 722 S C 0.128 174.567 174.600 -0.268 0.000 1.149 722 S CA -0.800 57.160 58.200 -0.400 0.000 0.866 722 S CB 0.163 63.000 63.200 -0.605 0.000 1.111 722 S HN 0.292 nan 8.310 nan 0.000 0.457 723 F N 2.108 122.113 119.950 0.092 0.000 2.408 723 F HA 0.266 4.793 4.527 -0.000 0.000 0.300 723 F C 2.137 178.086 175.800 0.249 0.000 1.090 723 F CA 0.768 58.915 58.000 0.245 0.000 1.427 723 F CB -1.179 38.100 39.000 0.464 0.000 1.070 723 F HN 0.591 nan 8.300 nan 0.000 0.549 724 A N 0.459 123.324 122.820 0.075 0.000 2.076 724 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 724 A C 1.716 179.443 177.584 0.238 0.000 1.160 724 A CA 1.723 53.872 52.037 0.187 0.000 0.653 724 A CB -1.470 17.513 19.000 -0.028 0.000 0.801 724 A HN 0.724 nan 8.150 nan 0.000 0.455 725 H N -1.559 117.597 119.070 0.142 0.000 2.539 725 H HA 0.330 4.886 4.556 -0.000 0.000 0.269 725 H C -0.126 175.266 175.328 0.106 0.000 0.980 725 H CA -0.729 55.376 56.048 0.095 0.000 1.152 725 H CB 0.128 29.921 29.762 0.051 0.000 1.407 725 H HN 0.310 nan 8.280 nan 0.000 0.564 726 L N 2.125 123.509 121.223 0.269 0.000 2.453 726 L HA 0.144 4.484 4.340 -0.000 0.000 0.272 726 L C 0.397 177.326 176.870 0.098 0.000 1.182 726 L CA 0.396 55.353 54.840 0.197 0.000 0.858 726 L CB 0.627 42.864 42.059 0.296 0.000 1.120 726 L HN 0.199 nan 8.230 nan 0.000 0.474 727 R N 0.958 121.475 120.500 0.029 0.000 2.854 727 R HA 0.230 4.570 4.340 -0.000 0.000 0.271 727 R C -0.398 175.837 176.300 -0.108 0.000 0.996 727 R CA -0.776 55.307 56.100 -0.029 0.000 0.961 727 R CB 1.476 31.772 30.300 -0.007 0.000 1.182 727 R HN 0.640 nan 8.270 nan 0.000 0.479 728 D N -0.739 119.589 120.400 -0.120 0.000 2.358 728 D HA -0.049 4.590 4.640 -0.000 0.000 0.224 728 D C 0.138 176.311 176.300 -0.210 0.000 1.123 728 D CA -0.085 53.806 54.000 -0.182 0.000 0.833 728 D CB 0.154 40.887 40.800 -0.112 0.000 0.946 728 D HN 0.484 nan 8.370 nan 0.000 0.505 729 D N -1.223 119.085 120.400 -0.153 0.000 2.462 729 D HA 0.219 4.859 4.640 -0.000 0.000 0.221 729 D C 1.565 177.818 176.300 -0.078 0.000 1.173 729 D CA -0.128 53.853 54.000 -0.031 0.000 0.831 729 D CB -0.109 40.734 40.800 0.071 0.000 1.001 729 D HN 0.181 nan 8.370 nan 0.000 0.499 730 G N 0.524 109.074 108.800 -0.417 0.000 2.176 730 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.253 730 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.253 730 G C 1.081 175.970 174.900 -0.017 0.000 0.979 730 G CA 0.782 45.728 45.100 -0.257 0.000 0.641 730 G HN 0.642 nan 8.290 nan 0.000 0.530 731 T N -1.506 113.041 114.554 -0.012 0.000 3.107 731 T HA 0.440 4.790 4.350 -0.000 0.000 0.249 731 T C 0.930 175.642 174.700 0.020 0.000 1.096 731 T CA 1.440 63.556 62.100 0.026 0.000 1.012 731 T CB 0.263 69.155 68.868 0.040 0.000 0.977 731 T HN 1.459 nan 8.240 nan 0.000 0.527 732 T N -0.687 113.864 114.554 -0.006 0.000 2.900 732 T HA 0.816 5.166 4.350 -0.000 0.000 0.295 732 T C -0.880 173.827 174.700 0.012 0.000 1.044 732 T CA -0.786 61.331 62.100 0.027 0.000 0.995 732 T CB 2.003 70.900 68.868 0.049 0.000 1.072 732 T HN 0.392 nan 8.240 nan 0.000 0.473 733 A N 1.125 123.979 122.820 0.057 0.000 2.401 733 A HA 0.918 5.238 4.320 -0.000 0.000 0.310 733 A C -0.277 177.345 177.584 0.063 0.000 1.075 733 A CA -0.887 51.174 52.037 0.041 0.000 0.746 733 A CB 1.790 20.832 19.000 0.070 0.000 1.277 733 A HN 1.386 nan 8.150 nan 0.000 0.425 734 S N 0.200 115.911 115.700 0.018 0.000 2.605 734 S HA 0.388 4.857 4.470 -0.000 0.000 0.279 734 S C 0.285 174.854 174.600 -0.051 0.000 1.166 734 S CA 0.211 58.424 58.200 0.023 0.000 0.975 734 S CB 0.869 64.120 63.200 0.085 0.000 1.111 734 S HN 1.717 nan 8.310 nan 0.000 0.465 735 S N 2.170 117.834 115.700 -0.060 0.000 2.671 735 S HA 0.263 4.733 4.470 -0.000 0.000 0.220 735 S C 0.481 175.006 174.600 -0.126 0.000 0.951 735 S CA -0.174 57.945 58.200 -0.134 0.000 0.932 735 S CB -0.420 62.748 63.200 -0.055 0.000 0.777 735 S HN 0.886 nan 8.310 nan 0.000 0.508 736 C N 3.156 122.388 119.300 -0.113 0.000 3.127 736 C HA 0.299 4.759 4.460 -0.000 0.000 0.378 736 C C 1.018 175.885 174.990 -0.206 0.000 0.961 736 C CA -1.144 57.715 59.018 -0.266 0.000 1.266 736 C CB -1.015 26.410 27.740 -0.524 0.000 1.594 736 C HN 0.778 nan 8.230 nan 0.000 0.571 737 W N 4.056 125.209 121.300 -0.245 0.000 2.350 737 W HA -0.081 4.579 4.660 -0.000 0.000 0.289 737 W C 1.444 177.848 176.519 -0.191 0.000 1.215 737 W CA 1.896 59.102 57.345 -0.233 0.000 1.236 737 W CB -0.852 28.324 29.460 -0.473 0.000 1.130 737 W HN 0.744 nan 8.180 nan 0.000 0.541 738 I N -2.295 117.604 120.570 -1.117 0.000 3.291 738 I HA -0.101 4.069 4.170 -0.000 0.000 0.279 738 I C 1.441 177.634 176.117 0.126 0.000 1.294 738 I CA 0.857 61.622 61.300 -0.891 0.000 1.428 738 I CB -0.956 36.239 38.000 -1.341 0.000 1.070 738 I HN -0.231 nan 8.210 nan 0.000 0.478 739 Y N 1.893 122.165 120.300 -0.047 0.000 2.457 739 Y HA 0.256 4.806 4.550 -0.000 0.000 0.263 739 Y C 0.943 176.827 175.900 -0.026 0.000 1.164 739 Y CA -1.029 57.133 58.100 0.104 0.000 1.274 739 Y CB -0.811 37.646 38.460 -0.006 0.000 1.097 739 Y HN 0.046 nan 8.280 nan 0.000 0.523 740 T N 0.573 115.280 114.554 0.256 0.000 2.769 740 T HA 0.393 4.742 4.350 -0.000 0.000 0.293 740 T C 1.207 175.901 174.700 -0.010 0.000 0.931 740 T CA 1.097 63.264 62.100 0.112 0.000 1.139 740 T CB 0.329 69.331 68.868 0.225 0.000 0.881 740 T HN 0.596 nan 8.240 nan 0.000 0.532 741 G N 2.428 111.055 108.800 -0.287 0.000 2.336 741 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.194 741 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.194 741 G C 1.307 175.539 174.900 -1.113 0.000 0.999 741 G CA 0.404 45.246 45.100 -0.430 0.000 0.669 741 G HN 0.807 nan 8.290 nan 0.000 0.482 742 S N -1.750 113.103 115.700 -1.412 0.000 2.406 742 S HA 0.118 4.588 4.470 -0.000 0.000 0.228 742 S C 0.819 175.052 174.600 -0.611 0.000 1.020 742 S CA 1.244 58.588 58.200 -1.426 0.000 0.965 742 S CB 0.257 62.908 63.200 -0.914 0.000 0.798 742 S HN 0.996 nan 8.310 nan 0.000 0.488 743 W N 3.442 124.413 121.300 -0.549 0.000 2.538 743 W HA 0.446 5.106 4.660 -0.000 0.000 0.291 743 W C -0.401 175.913 176.519 -0.342 0.000 1.020 743 W CA -0.746 56.360 57.345 -0.398 0.000 1.375 743 W CB 1.039 30.293 29.460 -0.345 0.000 1.247 743 W HN 0.302 nan 8.180 nan 0.000 0.377 744 T N -0.434 114.127 114.554 0.011 0.000 2.893 744 T HA 0.308 4.658 4.350 -0.000 0.000 0.281 744 T C 0.846 175.566 174.700 0.032 0.000 1.027 744 T CA -0.151 61.934 62.100 -0.025 0.000 0.953 744 T CB 1.414 70.224 68.868 -0.097 0.000 1.434 744 T HN 0.132 nan 8.240 nan 0.000 0.597 745 E N 0.263 120.457 120.200 -0.009 0.000 2.347 745 E HA -0.049 4.301 4.350 -0.000 0.000 0.196 745 E C 1.961 178.554 176.600 -0.013 0.000 1.008 745 E CA 0.613 57.015 56.400 0.003 0.000 0.852 745 E CB -0.095 29.602 29.700 -0.005 0.000 0.783 745 E HN 0.485 nan 8.360 nan 0.000 0.505 746 Q N -0.347 119.424 119.800 -0.047 0.000 2.425 746 Q HA 0.187 4.527 4.340 -0.000 0.000 0.204 746 Q C 1.002 176.922 176.000 -0.133 0.000 0.933 746 Q CA 0.646 56.401 55.803 -0.080 0.000 0.939 746 Q CB 0.751 29.435 28.738 -0.090 0.000 1.044 746 Q HN 0.213 nan 8.270 nan 0.000 0.513 747 G N 1.513 110.220 108.800 -0.155 0.000 2.373 747 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.634 747 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.634 747 G C -0.864 173.549 174.900 -0.812 0.000 1.267 747 G CA -0.673 44.224 45.100 -0.338 0.000 1.008 747 G HN 0.174 nan 8.290 nan 0.000 0.497 748 N N 1.082 118.931 118.700 -1.419 0.000 2.406 748 N HA 0.156 4.896 4.740 -0.000 0.000 0.274 748 N C 1.648 176.642 175.510 -0.860 0.000 1.249 748 N CA 0.062 52.052 53.050 -1.767 0.000 0.951 748 N CB 0.692 37.766 38.487 -2.356 0.000 1.241 748 N HN 0.479 nan 8.380 nan 0.000 0.485 749 Q N 3.167 122.601 119.800 -0.610 0.000 2.369 749 Q HA -0.017 4.323 4.340 -0.000 0.000 0.206 749 Q C 1.212 177.087 176.000 -0.208 0.000 0.963 749 Q CA 0.866 56.461 55.803 -0.346 0.000 0.894 749 Q CB -0.002 28.555 28.738 -0.302 0.000 0.965 749 Q HN 0.755 nan 8.270 nan 0.000 0.475 750 M N -0.603 118.860 119.600 -0.229 0.000 2.562 750 M HA 0.030 4.510 4.480 -0.000 0.000 0.257 750 M C 1.533 177.796 176.300 -0.062 0.000 1.099 750 M CA 0.803 56.079 55.300 -0.039 0.000 1.099 750 M CB 0.124 32.774 32.600 0.084 0.000 1.427 750 M HN 0.051 nan 8.290 nan 0.000 0.489 751 A N -0.294 122.396 122.820 -0.216 0.000 2.308 751 A HA 0.155 4.475 4.320 -0.000 0.000 0.217 751 A C 0.208 177.675 177.584 -0.195 0.000 1.216 751 A CA -0.275 51.706 52.037 -0.095 0.000 0.864 751 A CB -0.243 18.689 19.000 -0.114 0.000 0.902 751 A HN 0.288 nan 8.150 nan 0.000 0.499 752 N N 1.221 119.747 118.700 -0.290 0.000 2.454 752 N HA 0.149 4.889 4.740 -0.000 0.000 0.260 752 N C 0.205 175.327 175.510 -0.648 0.000 1.218 752 N CA 0.381 53.218 53.050 -0.354 0.000 0.904 752 N CB 0.420 38.742 38.487 -0.275 0.000 1.065 752 N HN 0.293 nan 8.380 nan 0.000 0.462 753 R N 0.746 120.882 120.500 -0.607 0.000 2.776 753 R HA 0.112 4.452 4.340 -0.000 0.000 0.391 753 R C -0.781 175.355 176.300 -0.273 0.000 1.116 753 R CA -0.439 55.101 56.100 -0.933 0.000 1.056 753 R CB 0.389 30.292 30.300 -0.661 0.000 1.369 753 R HN 0.408 nan 8.270 nan 0.000 0.590 754 D N 1.638 121.988 120.400 -0.084 0.000 2.380 754 D HA 0.009 4.649 4.640 -0.000 0.000 0.230 754 D C 0.254 176.707 176.300 0.255 0.000 1.154 754 D CA -0.357 53.693 54.000 0.083 0.000 0.859 754 D CB 0.771 41.566 40.800 -0.008 0.000 1.045 754 D HN 0.198 nan 8.370 nan 0.000 0.495 755 N N 1.365 120.257 118.700 0.319 0.000 2.322 755 N HA -0.013 4.727 4.740 -0.000 0.000 0.216 755 N C -0.336 175.217 175.510 0.073 0.000 1.144 755 N CA -0.508 52.668 53.050 0.210 0.000 0.830 755 N CB 0.047 38.581 38.487 0.079 0.000 1.034 755 N HN -0.037 nan 8.380 nan 0.000 0.484 756 S N 0.773 116.507 115.700 0.057 0.000 2.552 756 S HA -0.002 4.468 4.470 -0.000 0.000 0.289 756 S C -0.167 174.432 174.600 -0.002 0.000 1.304 756 S CA 0.003 58.215 58.200 0.020 0.000 1.063 756 S CB 0.459 63.664 63.200 0.008 0.000 0.848 756 S HN 0.456 nan 8.310 nan 0.000 0.499 757 D N 2.415 122.811 120.400 -0.007 0.000 2.513 757 D HA 0.349 4.989 4.640 -0.000 0.000 0.295 757 D C -1.633 174.660 176.300 -0.011 0.000 1.202 757 D CA -1.886 52.104 54.000 -0.016 0.000 0.849 757 D CB 0.644 41.431 40.800 -0.020 0.000 1.116 757 D HN 0.136 nan 8.370 nan 0.000 0.502 758 P HA -0.160 nan 4.420 nan 0.000 0.216 758 P C 1.328 178.624 177.300 -0.006 0.000 1.150 758 P CA 1.004 64.099 63.100 -0.009 0.000 0.843 758 P CB 0.075 31.768 31.700 -0.012 0.000 0.787 759 S N -1.806 113.890 115.700 -0.007 0.000 2.489 759 S HA 0.176 4.646 4.470 -0.000 0.000 0.228 759 S C 1.824 176.424 174.600 -0.000 0.000 0.995 759 S CA 0.850 59.048 58.200 -0.002 0.000 0.934 759 S CB -1.199 62.000 63.200 -0.001 0.000 0.771 759 S HN 0.347 nan 8.310 nan 0.000 0.522 760 G N 1.086 109.884 108.800 -0.003 0.000 2.179 760 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 760 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 760 G C 0.526 175.423 174.900 -0.006 0.000 0.977 760 G CA 0.445 45.544 45.100 -0.001 0.000 0.641 760 G HN 0.542 nan 8.290 nan 0.000 0.533 761 L N 0.463 121.682 121.223 -0.008 0.000 2.591 761 L HA 0.369 4.709 4.340 -0.000 0.000 0.228 761 L C 2.147 179.000 176.870 -0.027 0.000 1.133 761 L CA 0.779 55.611 54.840 -0.013 0.000 0.880 761 L CB -0.261 41.798 42.059 -0.000 0.000 1.033 761 L HN 1.007 nan 8.230 nan 0.000 0.450 762 G N 0.573 109.352 108.800 -0.036 0.000 2.143 762 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 762 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 762 G C 0.056 174.980 174.900 0.041 0.000 0.991 762 G CA 0.077 45.136 45.100 -0.067 0.000 0.689 762 G HN 0.414 nan 8.290 nan 0.000 0.522 763 N N 1.237 119.961 118.700 0.041 0.000 2.408 763 N HA 0.510 5.250 4.740 -0.000 0.000 0.257 763 N C 0.376 175.845 175.510 -0.068 0.000 1.064 763 N CA 0.598 53.652 53.050 0.007 0.000 0.952 763 N CB 0.780 39.275 38.487 0.013 0.000 1.093 763 N HN 0.372 nan 8.380 nan 0.000 0.490 764 T N 1.504 115.983 114.554 -0.125 0.000 3.253 764 T HA 0.277 4.626 4.350 -0.000 0.000 0.391 764 T C 1.405 175.967 174.700 -0.231 0.000 1.527 764 T CA -0.604 61.421 62.100 -0.124 0.000 1.268 764 T CB -0.335 68.492 68.868 -0.068 0.000 1.126 764 T HN 0.348 nan 8.240 nan 0.000 0.620 765 L N 1.586 122.689 121.223 -0.202 0.000 2.450 765 L HA 0.166 4.506 4.340 -0.000 0.000 0.224 765 L C 2.415 179.166 176.870 -0.198 0.000 1.149 765 L CA 1.086 55.785 54.840 -0.234 0.000 0.816 765 L CB -0.190 41.772 42.059 -0.163 0.000 0.932 765 L HN 0.773 nan 8.230 nan 0.000 0.449 766 G N -2.213 106.507 108.800 -0.133 0.000 3.088 766 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.217 766 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.217 766 G C 0.042 174.877 174.900 -0.109 0.000 1.159 766 G CA -0.373 44.664 45.100 -0.104 0.000 0.760 766 G HN 0.194 nan 8.290 nan 0.000 0.550 767 W N 1.733 122.844 121.300 -0.314 0.000 2.291 767 W HA 0.507 5.167 4.660 -0.000 0.000 0.312 767 W C 0.427 176.700 176.519 -0.411 0.000 1.061 767 W CA -0.415 56.742 57.345 -0.312 0.000 1.296 767 W CB 0.478 29.741 29.460 -0.327 0.000 1.223 767 W HN 0.439 nan 8.180 nan 0.000 0.421 768 A N 4.946 127.525 122.820 -0.401 0.000 6.219 768 A HA -0.270 4.050 4.320 -0.000 0.000 0.263 768 A C -1.475 176.048 177.584 -0.102 0.000 2.100 768 A CA 1.343 53.290 52.037 -0.150 0.000 0.709 768 A CB -1.538 17.531 19.000 0.115 0.000 1.081 768 A HN 0.995 nan 8.150 nan 0.000 0.372 769 W N -0.853 120.320 121.300 -0.211 0.000 3.042 769 W HA 0.639 5.299 4.660 -0.000 0.000 0.337 769 W C -0.158 176.274 176.519 -0.144 0.000 1.086 769 W CA 0.387 57.607 57.345 -0.208 0.000 1.236 769 W CB 1.331 30.701 29.460 -0.151 0.000 1.381 769 W HN 1.552 nan 8.180 nan 0.000 0.472 770 A N 6.032 128.271 122.820 -0.969 0.000 2.306 770 A HA 0.743 5.062 4.320 -0.000 0.000 0.330 770 A C -0.883 175.973 177.584 -1.213 0.000 1.146 770 A CA -0.724 50.858 52.037 -0.759 0.000 0.827 770 A CB 0.644 19.314 19.000 -0.552 0.000 1.178 770 A HN 0.853 nan 8.150 nan 0.000 0.490 771 W N 1.440 122.354 121.300 -0.642 0.000 2.512 771 W HA 0.659 5.319 4.660 -0.000 0.000 0.335 771 W C -3.053 173.319 176.519 -0.245 0.000 1.088 771 W CA -2.727 54.359 57.345 -0.433 0.000 1.236 771 W CB 0.884 30.388 29.460 0.072 0.000 1.307 771 W HN 0.412 nan 8.180 nan 0.000 0.567 772 P HA 0.287 nan 4.420 nan 0.000 0.296 772 P C 0.162 177.516 177.300 0.090 0.000 1.301 772 P CA -0.341 62.947 63.100 0.312 0.000 0.862 772 P CB 1.945 33.876 31.700 0.385 0.000 1.046 773 L N 0.761 122.113 121.223 0.215 0.000 3.742 773 L HA -0.316 4.024 4.340 -0.000 0.000 0.431 773 L C 0.426 177.201 176.870 -0.157 0.000 1.220 773 L CA 0.519 55.425 54.840 0.110 0.000 0.863 773 L CB -2.138 39.916 42.059 -0.010 0.000 1.751 773 L HN 0.622 nan 8.230 nan 0.000 0.922 774 N N 0.073 118.407 118.700 -0.610 0.000 2.714 774 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 774 N C 0.310 175.578 175.510 -0.405 0.000 1.117 774 N CA 1.377 54.031 53.050 -0.660 0.000 0.719 774 N CB -0.329 37.904 38.487 -0.425 0.000 1.081 774 N HN 0.530 nan 8.380 nan 0.000 0.557 775 R N 0.682 120.985 120.500 -0.328 0.000 2.288 775 R HA 0.171 4.511 4.340 -0.000 0.000 0.330 775 R C 1.238 177.362 176.300 -0.294 0.000 1.069 775 R CA -0.327 55.619 56.100 -0.258 0.000 0.941 775 R CB 0.539 30.711 30.300 -0.214 0.000 0.998 775 R HN 0.142 nan 8.270 nan 0.000 0.452 776 R N 1.560 121.915 120.500 -0.242 0.000 2.173 776 R HA 0.065 4.405 4.340 -0.000 0.000 0.208 776 R C 0.284 176.540 176.300 -0.074 0.000 1.035 776 R CA 0.576 56.560 56.100 -0.193 0.000 1.004 776 R CB 0.329 30.462 30.300 -0.278 0.000 0.917 776 R HN 0.233 nan 8.270 nan 0.000 0.462 777 V N 3.336 123.188 119.914 -0.104 0.000 2.349 777 V HA 0.264 4.384 4.120 -0.000 0.000 0.284 777 V C 0.270 176.212 176.094 -0.253 0.000 1.014 777 V CA -0.630 61.602 62.300 -0.115 0.000 0.826 777 V CB 1.622 33.410 31.823 -0.058 0.000 1.009 777 V HN 0.051 nan 8.190 nan 0.000 0.431 778 L N 5.364 126.341 121.223 -0.410 0.000 2.467 778 L HA 0.266 4.606 4.340 -0.000 0.000 0.270 778 L C 0.690 177.138 176.870 -0.703 0.000 1.205 778 L CA -0.013 54.389 54.840 -0.730 0.000 0.828 778 L CB -0.254 41.075 42.059 -1.218 0.000 1.101 778 L HN 0.824 nan 8.230 nan 0.000 0.479 779 Y N -0.266 119.892 120.300 -0.237 0.000 4.272 779 Y HA -0.274 4.276 4.550 -0.000 0.000 0.232 779 Y C 1.360 177.013 175.900 -0.413 0.000 1.149 779 Y CA 0.358 58.206 58.100 -0.418 0.000 1.961 779 Y CB -2.149 35.991 38.460 -0.533 0.000 1.611 779 Y HN 0.855 nan 8.280 nan 0.000 0.682 780 N N 1.423 119.968 118.700 -0.259 0.000 2.550 780 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 780 N C 1.435 176.735 175.510 -0.349 0.000 1.110 780 N CA 1.275 54.185 53.050 -0.232 0.000 0.912 780 N CB -0.131 38.253 38.487 -0.172 0.000 0.968 780 N HN 0.576 nan 8.380 nan 0.000 0.448 781 R N 0.743 120.904 120.500 -0.566 0.000 2.152 781 R HA 0.125 4.465 4.340 -0.000 0.000 0.232 781 R C 1.638 177.518 176.300 -0.700 0.000 1.117 781 R CA 1.224 56.788 56.100 -0.894 0.000 0.981 781 R CB -0.730 28.634 30.300 -1.559 0.000 0.870 781 R HN 0.284 nan 8.270 nan 0.000 0.451 782 A N -0.085 122.386 122.820 -0.582 0.000 2.239 782 A HA -0.021 4.299 4.320 -0.000 0.000 0.209 782 A C 1.731 179.464 177.584 0.248 0.000 1.171 782 A CA 0.972 52.806 52.037 -0.338 0.000 0.768 782 A CB -0.535 18.203 19.000 -0.437 0.000 0.790 782 A HN 0.527 nan 8.150 nan 0.000 0.478 783 S N -1.212 114.536 115.700 0.080 0.000 2.603 783 S HA 0.535 5.005 4.470 -0.000 0.000 0.220 783 S C 0.714 175.399 174.600 0.142 0.000 0.967 783 S CA 0.319 58.661 58.200 0.238 0.000 0.920 783 S CB -0.252 62.996 63.200 0.079 0.000 0.773 783 S HN 0.892 nan 8.310 nan 0.000 0.529 784 A N 1.777 124.541 122.820 -0.093 0.000 2.423 784 A HA 0.673 4.992 4.320 -0.000 0.000 0.304 784 A C -0.420 176.814 177.584 -0.582 0.000 1.104 784 A CA -0.727 51.070 52.037 -0.399 0.000 0.757 784 A CB 0.981 19.873 19.000 -0.180 0.000 1.313 784 A HN 0.368 nan 8.150 nan 0.000 0.423 785 D N -0.240 119.586 120.400 -0.956 0.000 2.440 785 D HA 0.186 4.826 4.640 -0.000 0.000 0.269 785 D C 1.374 177.496 176.300 -0.298 0.000 1.249 785 D CA 0.084 53.549 54.000 -0.891 0.000 1.055 785 D CB -0.006 40.114 40.800 -1.134 0.000 1.104 785 D HN 0.597 nan 8.370 nan 0.000 0.561 786 I N -3.087 117.320 120.570 -0.272 0.000 2.454 786 I HA -0.126 4.044 4.170 -0.000 0.000 0.254 786 I C 0.730 176.760 176.117 -0.144 0.000 1.156 786 I CA 0.943 62.123 61.300 -0.200 0.000 1.433 786 I CB -0.558 37.200 38.000 -0.404 0.000 1.082 786 I HN 0.082 nan 8.210 nan 0.000 0.432 787 N N 1.587 120.190 118.700 -0.161 0.000 2.383 787 N HA 0.111 4.850 4.740 -0.000 0.000 0.192 787 N C 1.430 176.898 175.510 -0.069 0.000 1.141 787 N CA 0.984 53.964 53.050 -0.116 0.000 0.851 787 N CB 0.786 39.205 38.487 -0.113 0.000 0.976 787 N HN 0.691 nan 8.380 nan 0.000 0.465 788 G N 1.109 109.900 108.800 -0.016 0.000 2.176 788 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.253 788 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.253 788 G C 0.130 175.041 174.900 0.019 0.000 0.979 788 G CA 0.248 45.428 45.100 0.134 0.000 0.641 788 G HN 0.465 nan 8.290 nan 0.000 0.530 789 K N 1.071 121.399 120.400 -0.120 0.000 2.201 789 K HA 0.553 4.873 4.320 -0.000 0.000 0.278 789 K C -2.452 174.011 176.600 -0.228 0.000 1.027 789 K CA -2.127 54.081 56.287 -0.131 0.000 0.909 789 K CB 1.288 33.709 32.500 -0.131 0.000 1.062 789 K HN -0.028 nan 8.250 nan 0.000 0.465 790 P HA -0.084 nan 4.420 nan 0.000 0.265 790 P C -0.393 176.845 177.300 -0.103 0.000 1.187 790 P CA 0.141 63.183 63.100 -0.098 0.000 0.766 790 P CB 0.299 32.000 31.700 0.003 0.000 0.820 791 W N 0.913 122.257 121.300 0.073 0.000 2.363 791 W HA -0.099 4.561 4.660 -0.000 0.000 0.296 791 W C 0.786 177.333 176.519 0.047 0.000 1.212 791 W CA 0.857 58.245 57.345 0.071 0.000 1.260 791 W CB -0.041 29.477 29.460 0.096 0.000 1.131 791 W HN 0.284 nan 8.180 nan 0.000 0.530 792 D N -1.014 119.529 120.400 0.238 0.000 2.505 792 D HA 0.135 4.775 4.640 -0.000 0.000 0.250 792 D C -1.625 174.729 176.300 0.090 0.000 1.164 792 D CA -2.436 51.650 54.000 0.143 0.000 0.870 792 D CB 1.806 42.680 40.800 0.123 0.000 1.160 792 D HN -0.211 nan 8.370 nan 0.000 0.549 793 P HA -0.087 nan 4.420 nan 0.000 0.225 793 P C 0.594 177.916 177.300 0.036 0.000 1.148 793 P CA 0.608 63.733 63.100 0.041 0.000 0.779 793 P CB 0.450 32.169 31.700 0.032 0.000 0.780 794 K N -0.260 120.163 120.400 0.039 0.000 2.487 794 K HA 0.075 4.394 4.320 -0.000 0.000 0.192 794 K C 0.967 177.586 176.600 0.032 0.000 1.027 794 K CA 0.313 56.619 56.287 0.031 0.000 1.054 794 K CB 0.158 32.675 32.500 0.029 0.000 0.824 794 K HN 0.118 nan 8.250 nan 0.000 0.510 795 R N 1.059 121.584 120.500 0.042 0.000 2.738 795 R HA 0.212 4.552 4.340 -0.000 0.000 0.280 795 R C -0.678 175.651 176.300 0.048 0.000 1.456 795 R CA -0.281 55.844 56.100 0.041 0.000 1.612 795 R CB 0.741 31.070 30.300 0.047 0.000 1.286 795 R HN 0.020 nan 8.270 nan 0.000 0.660 796 M N 2.473 122.096 119.600 0.039 0.000 2.162 796 M HA 0.162 4.642 4.480 -0.000 0.000 0.356 796 M C -0.119 176.201 176.300 0.034 0.000 1.303 796 M CA 0.333 55.657 55.300 0.040 0.000 1.116 796 M CB 0.820 33.442 32.600 0.037 0.000 1.632 796 M HN 0.545 nan 8.290 nan 0.000 0.469 797 L N 6.048 127.290 121.223 0.032 0.000 2.349 797 L HA 0.324 4.664 4.340 -0.000 0.000 0.200 797 L C 0.668 177.557 176.870 0.031 0.000 1.064 797 L CA 0.440 55.290 54.840 0.016 0.000 0.821 797 L CB 0.313 42.368 42.059 -0.007 0.000 1.027 797 L HN 0.740 nan 8.230 nan 0.000 0.476 798 I N -1.952 118.652 120.570 0.057 0.000 2.865 798 I HA 0.498 4.668 4.170 -0.000 0.000 0.302 798 I C -1.459 174.826 176.117 0.280 0.000 1.140 798 I CA -0.602 60.788 61.300 0.149 0.000 1.021 798 I CB 2.237 40.314 38.000 0.128 0.000 1.233 798 I HN 0.059 nan 8.210 nan 0.000 0.427 799 Q N 4.096 124.136 119.800 0.401 0.000 2.472 799 Q HA 0.294 4.634 4.340 -0.000 0.000 0.281 799 Q C -2.223 173.865 176.000 0.146 0.000 0.997 799 Q CA -0.868 55.133 55.803 0.330 0.000 0.828 799 Q CB 2.336 31.152 28.738 0.129 0.000 1.443 799 Q HN 0.899 nan 8.270 nan 0.000 0.390 800 W N 4.578 125.603 121.300 -0.459 0.000 2.338 800 W HA 0.211 4.871 4.660 -0.000 0.000 0.307 800 W C -0.250 176.028 176.519 -0.402 0.000 1.167 800 W CA -0.286 56.562 57.345 -0.828 0.000 1.208 800 W CB 1.275 30.052 29.460 -1.138 0.000 1.228 800 W HN 1.019 nan 8.180 nan 0.000 0.499 801 N N 3.859 122.061 118.700 -0.830 0.000 2.230 801 N HA 0.133 4.873 4.740 -0.000 0.000 0.202 801 N C 1.013 176.108 175.510 -0.690 0.000 1.119 801 N CA 0.600 53.305 53.050 -0.574 0.000 0.851 801 N CB 0.489 38.740 38.487 -0.392 0.000 0.990 801 N HN 0.738 nan 8.380 nan 0.000 0.497 802 G N -0.571 107.469 108.800 -1.267 0.000 2.259 802 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 802 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 802 G C 0.703 175.104 174.900 -0.833 0.000 1.001 802 G CA 0.487 45.136 45.100 -0.752 0.000 0.627 802 G HN 0.796 nan 8.290 nan 0.000 0.501 803 S N -1.011 114.001 115.700 -1.147 0.000 2.661 803 S HA 0.469 4.939 4.470 -0.000 0.000 0.275 803 S C 0.200 174.280 174.600 -0.867 0.000 1.075 803 S CA 0.861 58.592 58.200 -0.783 0.000 1.251 803 S CB 0.659 63.649 63.200 -0.351 0.000 1.167 803 S HN 1.375 nan 8.310 nan 0.000 0.648 804 K N -0.506 119.244 120.400 -1.084 0.000 2.555 804 K HA 0.605 4.925 4.320 -0.000 0.000 0.279 804 K C -1.980 174.368 176.600 -0.419 0.000 0.986 804 K CA -1.006 54.992 56.287 -0.482 0.000 0.880 804 K CB 0.619 33.017 32.500 -0.170 0.000 1.474 804 K HN 0.118 nan 8.250 nan 0.000 0.433 805 W N 1.674 123.063 121.300 0.149 0.000 2.365 805 W HA 0.421 5.081 4.660 -0.000 0.000 0.316 805 W C -0.007 176.546 176.519 0.056 0.000 1.164 805 W CA 0.321 57.782 57.345 0.193 0.000 1.204 805 W CB 1.924 31.561 29.460 0.295 0.000 1.213 805 W HN 0.791 nan 8.180 nan 0.000 0.539 806 T N 0.057 114.753 114.554 0.237 0.000 2.778 806 T HA 0.944 5.294 4.350 -0.000 0.000 0.293 806 T C -0.083 174.684 174.700 0.111 0.000 1.144 806 T CA -0.249 61.920 62.100 0.115 0.000 1.010 806 T CB 1.832 70.710 68.868 0.017 0.000 1.325 806 T HN 0.992 nan 8.240 nan 0.000 0.515 807 G N 0.209 109.043 108.800 0.057 0.000 2.373 807 G HA2 0.154 4.114 3.960 -0.000 0.000 0.250 807 G HA3 0.154 4.114 3.960 -0.000 0.000 0.250 807 G C -0.662 174.248 174.900 0.017 0.000 1.304 807 G CA -0.408 44.720 45.100 0.046 0.000 0.948 807 G HN 0.637 nan 8.290 nan 0.000 0.474 808 N N 0.824 119.532 118.700 0.013 0.000 2.398 808 N HA 0.180 4.920 4.740 -0.000 0.000 0.188 808 N C -0.478 175.020 175.510 -0.020 0.000 1.122 808 N CA 0.816 53.863 53.050 -0.004 0.000 0.866 808 N CB 0.651 39.139 38.487 0.002 0.000 0.970 808 N HN 0.524 nan 8.380 nan 0.000 0.462 809 D N -0.584 119.803 120.400 -0.021 0.000 2.559 809 D HA 0.311 4.951 4.640 -0.000 0.000 0.250 809 D C -0.745 175.526 176.300 -0.048 0.000 1.135 809 D CA -0.619 53.351 54.000 -0.051 0.000 0.955 809 D CB 1.718 42.485 40.800 -0.055 0.000 1.442 809 D HN -0.305 nan 8.370 nan 0.000 0.471 810 I N 2.346 122.870 120.570 -0.077 0.000 2.496 810 I HA 0.235 4.405 4.170 -0.000 0.000 0.285 810 I C -1.925 174.164 176.117 -0.046 0.000 1.080 810 I CA -2.035 59.233 61.300 -0.055 0.000 1.404 810 I CB 0.355 38.305 38.000 -0.084 0.000 1.403 810 I HN 0.151 nan 8.210 nan 0.000 0.539 811 P HA -0.006 nan 4.420 nan 0.000 0.263 811 P C -0.226 177.061 177.300 -0.021 0.000 1.195 811 P CA 0.021 63.117 63.100 -0.007 0.000 0.762 811 P CB 0.362 32.125 31.700 0.104 0.000 0.799 812 D N 3.711 124.063 120.400 -0.080 0.000 2.741 812 D HA 0.301 4.941 4.640 -0.000 0.000 0.233 812 D C -1.068 175.270 176.300 0.063 0.000 1.160 812 D CA 0.141 54.105 54.000 -0.060 0.000 1.003 812 D CB -1.098 39.610 40.800 -0.154 0.000 1.064 812 D HN 0.044 nan 8.370 nan 0.000 0.503 813 F N -0.477 119.382 119.950 -0.152 0.000 2.842 813 F HA 0.514 5.041 4.527 -0.000 0.000 0.319 813 F C 0.372 176.139 175.800 -0.056 0.000 1.159 813 F CA -0.582 57.321 58.000 -0.161 0.000 0.902 813 F CB 0.623 39.417 39.000 -0.344 0.000 1.311 813 F HN 0.043 nan 8.300 nan 0.000 0.453 814 G N 0.811 109.309 108.800 -0.503 0.000 2.714 814 G HA2 0.240 4.200 3.960 -0.000 0.000 0.197 814 G HA3 0.240 4.200 3.960 -0.000 0.000 0.197 814 G C -0.118 174.749 174.900 -0.055 0.000 1.449 814 G CA 0.083 45.033 45.100 -0.250 0.000 1.065 814 G HN 0.762 nan 8.290 nan 0.000 0.575 815 N N -0.364 118.373 118.700 0.062 0.000 2.273 815 N HA 0.334 5.074 4.740 -0.000 0.000 0.231 815 N C 0.414 176.146 175.510 0.369 0.000 1.134 815 N CA 0.057 53.342 53.050 0.391 0.000 0.856 815 N CB 0.211 38.885 38.487 0.312 0.000 1.068 815 N HN 0.493 nan 8.380 nan 0.000 0.510 816 A N 0.508 123.384 122.820 0.093 0.000 2.548 816 A HA 0.537 4.857 4.320 -0.000 0.000 0.247 816 A C 0.796 178.445 177.584 0.108 0.000 1.067 816 A CA -0.098 51.986 52.037 0.079 0.000 0.757 816 A CB -0.306 18.681 19.000 -0.022 0.000 0.996 816 A HN 0.564 nan 8.150 nan 0.000 0.504 817 A N 4.894 127.542 122.820 -0.286 0.000 2.386 817 A HA 0.618 4.938 4.320 -0.000 0.000 0.248 817 A C -2.156 175.143 177.584 -0.476 0.000 1.082 817 A CA -1.428 50.025 52.037 -0.973 0.000 0.789 817 A CB -0.416 18.118 19.000 -0.776 0.000 1.025 817 A HN 0.679 nan 8.150 nan 0.000 0.490 818 P HA 0.206 nan 4.420 nan 0.000 0.266 818 P C 1.017 178.209 177.300 -0.179 0.000 1.193 818 P CA 1.652 64.613 63.100 -0.232 0.000 0.770 818 P CB 0.508 32.034 31.700 -0.289 0.000 0.836 819 G N 0.990 109.728 108.800 -0.104 0.000 2.253 819 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.251 819 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.251 819 G C 0.423 175.290 174.900 -0.055 0.000 0.998 819 G CA 0.543 45.589 45.100 -0.091 0.000 0.621 819 G HN 0.892 nan 8.290 nan 0.000 0.524 820 T N -0.767 113.764 114.554 -0.038 0.000 2.788 820 T HA 0.605 4.955 4.350 -0.000 0.000 0.287 820 T C -0.600 174.115 174.700 0.026 0.000 1.007 820 T CA -0.471 61.626 62.100 -0.006 0.000 1.005 820 T CB 1.886 70.754 68.868 -0.001 0.000 1.012 820 T HN 0.079 nan 8.240 nan 0.000 0.530 821 P HA 0.126 nan 4.420 nan 0.000 0.249 821 P C 0.083 177.426 177.300 0.072 0.000 1.229 821 P CA -0.050 63.077 63.100 0.045 0.000 0.788 821 P CB -0.321 31.387 31.700 0.012 0.000 1.072 822 T N 1.210 115.818 114.554 0.089 0.000 2.784 822 T HA 0.332 4.682 4.350 -0.000 0.000 0.291 822 T C 1.026 175.853 174.700 0.212 0.000 0.942 822 T CA 0.071 62.244 62.100 0.122 0.000 1.161 822 T CB 0.518 69.432 68.868 0.077 0.000 0.885 822 T HN 0.067 nan 8.240 nan 0.000 0.534 823 G N 4.193 113.104 108.800 0.185 0.000 2.503 823 G HA2 0.367 4.327 3.960 -0.000 0.000 0.257 823 G HA3 0.367 4.327 3.960 -0.000 0.000 0.257 823 G C -1.302 173.688 174.900 0.151 0.000 1.214 823 G CA -1.408 43.797 45.100 0.174 0.000 0.839 823 G HN 0.399 nan 8.290 nan 0.000 0.559 824 P HA 0.055 nan 4.420 nan 0.000 0.241 824 P C -0.072 177.012 177.300 -0.361 0.000 1.191 824 P CA 0.308 63.136 63.100 -0.453 0.000 0.771 824 P CB 0.232 31.308 31.700 -1.040 0.000 0.929 825 F N 1.664 121.623 119.950 0.016 0.000 2.384 825 F HA 0.255 4.782 4.527 -0.000 0.000 0.359 825 F C 2.001 177.902 175.800 0.170 0.000 1.143 825 F CA -0.785 57.269 58.000 0.089 0.000 1.216 825 F CB -0.166 38.837 39.000 0.006 0.000 1.512 825 F HN -0.188 nan 8.300 nan 0.000 0.573 826 I N -0.727 120.020 120.570 0.294 0.000 3.001 826 I HA -0.136 4.034 4.170 -0.000 0.000 0.268 826 I C 1.352 177.638 176.117 0.282 0.000 1.267 826 I CA 1.014 62.466 61.300 0.253 0.000 1.472 826 I CB -0.060 38.048 38.000 0.180 0.000 1.089 826 I HN 0.345 nan 8.210 nan 0.000 0.468 827 M N 0.146 119.944 119.600 0.330 0.000 2.502 827 M HA 0.230 4.709 4.480 -0.000 0.000 0.243 827 M C 0.469 177.021 176.300 0.421 0.000 1.130 827 M CA 0.504 56.022 55.300 0.363 0.000 1.055 827 M CB -0.549 32.275 32.600 0.372 0.000 1.457 827 M HN 0.277 nan 8.290 nan 0.000 0.488 828 Q N 0.809 120.818 119.800 0.348 0.000 2.261 828 Q HA 0.215 4.555 4.340 -0.000 0.000 0.252 828 Q C -1.665 174.488 176.000 0.255 0.000 0.915 828 Q CA -1.596 54.379 55.803 0.286 0.000 0.915 828 Q CB 0.901 29.784 28.738 0.242 0.000 1.204 828 Q HN 0.031 nan 8.270 nan 0.000 0.421 829 P HA -0.158 nan 4.420 nan 0.000 0.222 829 P C 0.681 178.082 177.300 0.167 0.000 1.147 829 P CA 1.167 64.387 63.100 0.200 0.000 0.790 829 P CB 0.436 32.250 31.700 0.189 0.000 0.780 830 E N -1.486 118.812 120.200 0.163 0.000 2.498 830 E HA 0.130 4.480 4.350 -0.000 0.000 0.203 830 E C 1.254 177.927 176.600 0.121 0.000 1.013 830 E CA 0.659 57.125 56.400 0.111 0.000 0.927 830 E CB -0.842 28.911 29.700 0.090 0.000 1.012 830 E HN 0.148 nan 8.360 nan 0.000 0.482 831 G N 1.558 110.464 108.800 0.176 0.000 2.168 831 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 831 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 831 G C 0.120 175.191 174.900 0.285 0.000 0.997 831 G CA 1.215 46.448 45.100 0.222 0.000 0.708 831 G HN 0.314 nan 8.290 nan 0.000 0.520 832 M N -0.504 119.231 119.600 0.224 0.000 2.690 832 M HA 0.601 5.081 4.480 -0.000 0.000 0.302 832 M C 0.719 176.909 176.300 -0.184 0.000 1.234 832 M CA -0.290 55.110 55.300 0.167 0.000 0.853 832 M CB 2.146 34.813 32.600 0.112 0.000 1.748 832 M HN 0.210 nan 8.290 nan 0.000 0.469 833 G N 1.186 109.684 108.800 -0.503 0.000 2.378 833 G HA2 0.380 4.340 3.960 -0.000 0.000 0.255 833 G HA3 0.380 4.340 3.960 -0.000 0.000 0.255 833 G C -0.556 174.243 174.900 -0.169 0.000 1.270 833 G CA -0.540 44.186 45.100 -0.623 0.000 0.876 833 G HN 0.613 nan 8.290 nan 0.000 0.521 834 R N 2.848 123.262 120.500 -0.143 0.000 2.216 834 R HA 0.199 4.539 4.340 -0.000 0.000 0.332 834 R C 0.922 177.210 176.300 -0.019 0.000 1.056 834 R CA -0.466 55.612 56.100 -0.036 0.000 0.901 834 R CB 1.201 31.464 30.300 -0.062 0.000 1.039 834 R HN 0.512 nan 8.270 nan 0.000 0.456 835 L N 2.428 123.711 121.223 0.100 0.000 2.131 835 L HA 0.056 4.396 4.340 -0.000 0.000 0.206 835 L C 0.660 177.666 176.870 0.227 0.000 1.087 835 L CA 0.953 55.892 54.840 0.165 0.000 0.767 835 L CB 0.053 42.267 42.059 0.259 0.000 0.917 835 L HN 0.437 nan 8.230 nan 0.000 0.441 836 F N 0.129 120.062 119.950 -0.027 0.000 2.402 836 F HA 0.503 5.030 4.527 -0.000 0.000 0.355 836 F C 0.679 176.251 175.800 -0.379 0.000 1.123 836 F CA -1.177 56.593 58.000 -0.383 0.000 1.021 836 F CB 1.211 39.946 39.000 -0.442 0.000 1.160 836 F HN -0.206 nan 8.300 nan 0.000 0.451 837 A N 8.327 130.668 122.820 -0.798 0.000 2.412 837 A HA 0.328 4.648 4.320 -0.000 0.000 0.253 837 A C 1.359 178.599 177.584 -0.574 0.000 1.334 837 A CA 0.326 52.034 52.037 -0.550 0.000 0.929 837 A CB -1.824 16.895 19.000 -0.468 0.000 0.983 837 A HN 1.061 nan 8.150 nan 0.000 0.508 838 I N -2.970 117.154 120.570 -0.743 0.000 4.909 838 I HA -0.463 3.706 4.170 -0.000 0.000 0.038 838 I C 0.640 176.593 176.117 -0.273 0.000 0.635 838 I CA 1.946 62.962 61.300 -0.474 0.000 0.207 838 I CB -1.002 36.779 38.000 -0.364 0.000 0.321 838 I HN 0.497 nan 8.210 nan 0.000 0.152 839 N N 1.612 120.248 118.700 -0.106 0.000 2.320 839 N HA 0.159 4.899 4.740 -0.000 0.000 0.237 839 N C 0.522 176.020 175.510 -0.019 0.000 1.129 839 N CA -0.186 52.871 53.050 0.012 0.000 0.854 839 N CB 0.379 38.828 38.487 -0.064 0.000 1.083 839 N HN 0.532 nan 8.380 nan 0.000 0.504 840 K N -0.166 120.192 120.400 -0.071 0.000 2.211 840 K HA 0.188 4.508 4.320 -0.000 0.000 0.201 840 K C 0.477 177.053 176.600 -0.041 0.000 1.052 840 K CA 0.430 56.680 56.287 -0.061 0.000 0.973 840 K CB 0.148 32.594 32.500 -0.090 0.000 0.766 840 K HN 0.270 nan 8.250 nan 0.000 0.466 841 M N 0.155 119.720 119.600 -0.059 0.000 2.277 841 M HA 0.252 4.732 4.480 -0.000 0.000 0.350 841 M C 1.268 177.619 176.300 0.086 0.000 1.180 841 M CA -0.447 54.829 55.300 -0.040 0.000 1.103 841 M CB 0.897 33.398 32.600 -0.164 0.000 1.577 841 M HN -0.037 nan 8.290 nan 0.000 0.459 842 A N 2.461 125.338 122.820 0.095 0.000 1.933 842 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 842 A C 1.371 179.140 177.584 0.309 0.000 1.175 842 A CA 1.630 53.770 52.037 0.172 0.000 0.628 842 A CB -0.342 18.727 19.000 0.115 0.000 0.814 842 A HN 0.821 nan 8.150 nan 0.000 0.444 843 E N -0.594 119.724 120.200 0.196 0.000 2.558 843 E HA 0.416 4.766 4.350 -0.000 0.000 0.205 843 E C 0.406 176.922 176.600 -0.140 0.000 1.006 843 E CA 0.471 57.019 56.400 0.246 0.000 0.961 843 E CB -0.549 29.296 29.700 0.242 0.000 1.044 843 E HN 0.942 nan 8.360 nan 0.000 0.465 844 G N 2.421 110.822 108.800 -0.665 0.000 2.326 844 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.478 844 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.478 844 G C -2.766 171.250 174.900 -1.475 0.000 1.551 844 G CA -0.430 43.572 45.100 -1.830 0.000 0.946 844 G HN -0.127 nan 8.290 nan 0.000 0.671 845 P HA 0.213 nan 4.420 nan 0.000 0.241 845 P C -0.229 176.269 177.300 -1.336 0.000 1.191 845 P CA 0.610 62.728 63.100 -1.636 0.000 0.771 845 P CB 0.075 30.335 31.700 -2.400 0.000 0.929 846 F N 0.335 119.739 119.950 -0.909 0.000 2.565 846 F HA 0.511 5.038 4.527 -0.000 0.000 0.313 846 F C -2.400 173.166 175.800 -0.390 0.000 1.091 846 F CA -3.388 54.261 58.000 -0.584 0.000 0.915 846 F CB 1.013 39.590 39.000 -0.705 0.000 1.208 846 F HN -0.339 nan 8.300 nan 0.000 0.453 847 P HA 0.288 nan 4.420 nan 0.000 0.272 847 P C -1.158 176.219 177.300 0.128 0.000 1.223 847 P CA -0.117 62.972 63.100 -0.019 0.000 0.784 847 P CB 0.909 32.537 31.700 -0.119 0.000 0.923 848 E N 0.294 120.558 120.200 0.107 0.000 2.321 848 E HA 0.249 4.599 4.350 -0.000 0.000 0.278 848 E C -1.493 174.988 176.600 -0.197 0.000 0.902 848 E CA -0.785 55.643 56.400 0.046 0.000 0.758 848 E CB 0.641 30.386 29.700 0.076 0.000 1.213 848 E HN 0.407 nan 8.360 nan 0.000 0.426 849 H N 3.262 122.248 119.070 -0.140 0.000 2.929 849 H HA 0.274 4.830 4.556 -0.000 0.000 0.317 849 H C -1.334 173.786 175.328 -0.347 0.000 1.031 849 H CA 0.822 56.774 56.048 -0.159 0.000 1.466 849 H CB 0.014 29.770 29.762 -0.011 0.000 1.482 849 H HN 0.369 nan 8.280 nan 0.000 0.561 850 Y N 2.870 122.861 120.300 -0.515 0.000 2.442 850 Y HA 0.257 4.807 4.550 -0.000 0.000 0.344 850 Y C 0.201 175.793 175.900 -0.514 0.000 0.976 850 Y CA -1.128 56.759 58.100 -0.356 0.000 1.040 850 Y CB 1.358 39.783 38.460 -0.057 0.000 1.228 850 Y HN 0.584 nan 8.280 nan 0.000 0.451 851 E N 3.700 123.810 120.200 -0.151 0.000 2.374 851 E HA 0.236 4.586 4.350 -0.000 0.000 0.260 851 E C -2.404 174.240 176.600 0.072 0.000 1.101 851 E CA -1.702 54.689 56.400 -0.015 0.000 0.907 851 E CB 0.416 30.160 29.700 0.074 0.000 1.014 851 E HN 0.291 nan 8.360 nan 0.000 0.427 852 P HA -0.011 nan 4.420 nan 0.000 0.269 852 P C 1.155 178.518 177.300 0.105 0.000 1.217 852 P CA -0.266 62.918 63.100 0.140 0.000 0.783 852 P CB 0.539 32.349 31.700 0.183 0.000 0.898 853 I N 0.045 120.668 120.570 0.089 0.000 2.163 853 I HA -0.179 3.991 4.170 -0.000 0.000 0.243 853 I C 0.929 177.093 176.117 0.078 0.000 1.085 853 I CA 1.796 63.135 61.300 0.064 0.000 1.347 853 I CB -1.256 36.767 38.000 0.038 0.000 1.044 853 I HN 0.439 nan 8.210 nan 0.000 0.408 854 E N 1.025 121.287 120.200 0.103 0.000 2.014 854 E HA 0.187 4.537 4.350 -0.000 0.000 0.275 854 E C -0.056 176.615 176.600 0.119 0.000 0.997 854 E CA -0.113 56.355 56.400 0.113 0.000 0.804 854 E CB 0.886 30.667 29.700 0.135 0.000 1.090 854 E HN 0.054 nan 8.360 nan 0.000 0.401 855 T N 2.202 116.817 114.554 0.102 0.000 2.823 855 T HA 0.273 4.623 4.350 -0.000 0.000 0.279 855 T C -1.677 173.074 174.700 0.085 0.000 0.998 855 T CA -2.431 59.729 62.100 0.099 0.000 0.994 855 T CB 1.278 70.204 68.868 0.098 0.000 0.960 855 T HN 0.166 nan 8.240 nan 0.000 0.448 856 P HA 0.018 nan 4.420 nan 0.000 0.230 856 P C 1.236 178.568 177.300 0.053 0.000 1.158 856 P CA 0.697 63.836 63.100 0.064 0.000 0.769 856 P CB 0.278 32.021 31.700 0.072 0.000 0.807 857 L N -1.787 119.471 121.223 0.059 0.000 2.408 857 L HA 0.260 4.600 4.340 -0.000 0.000 0.215 857 L C 1.882 178.779 176.870 0.045 0.000 1.081 857 L CA 0.845 55.714 54.840 0.048 0.000 0.840 857 L CB -0.969 41.122 42.059 0.053 0.000 1.002 857 L HN 0.060 nan 8.230 nan 0.000 0.468 858 G N 0.693 109.526 108.800 0.054 0.000 2.168 858 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.263 858 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.263 858 G C 0.329 175.259 174.900 0.049 0.000 0.977 858 G CA 0.716 45.846 45.100 0.050 0.000 0.659 858 G HN 0.397 nan 8.290 nan 0.000 0.533 859 T N -1.356 113.230 114.554 0.054 0.000 2.718 859 T HA 0.540 4.890 4.350 -0.000 0.000 0.306 859 T C -1.937 172.801 174.700 0.063 0.000 1.485 859 T CA 0.150 62.282 62.100 0.053 0.000 0.997 859 T CB 1.627 70.516 68.868 0.036 0.000 1.504 859 T HN 0.486 nan 8.240 nan 0.000 0.497 860 N N 1.552 120.288 118.700 0.059 0.000 2.524 860 N HA 0.430 5.170 4.740 -0.000 0.000 0.261 860 N C -2.203 173.294 175.510 -0.023 0.000 0.998 860 N CA -2.109 50.972 53.050 0.052 0.000 0.915 860 N CB 1.943 40.474 38.487 0.072 0.000 1.187 860 N HN 0.235 nan 8.380 nan 0.000 0.507 861 P HA -0.058 nan 4.420 nan 0.000 0.221 861 P C 1.495 178.704 177.300 -0.151 0.000 1.145 861 P CA 0.713 63.766 63.100 -0.079 0.000 0.795 861 P CB 0.616 32.270 31.700 -0.077 0.000 0.775 862 L N -1.710 119.356 121.223 -0.262 0.000 2.179 862 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 862 L C 0.196 176.840 176.870 -0.377 0.000 1.096 862 L CA 1.044 55.643 54.840 -0.401 0.000 0.779 862 L CB -0.363 41.338 42.059 -0.597 0.000 0.922 862 L HN 0.273 nan 8.230 nan 0.000 0.443 863 H N -4.711 114.357 119.070 -0.002 0.000 3.139 863 H HA 0.232 4.788 4.556 -0.000 0.000 0.322 863 H C -2.566 172.772 175.328 0.016 0.000 1.345 863 H CA -1.920 54.123 56.048 -0.008 0.000 1.637 863 H CB -0.283 29.472 29.762 -0.012 0.000 1.959 863 H HN -0.212 nan 8.280 nan 0.000 0.586 864 P HA -0.038 nan 4.420 nan 0.000 0.230 864 P C 0.432 177.780 177.300 0.081 0.000 1.158 864 P CA 0.902 64.046 63.100 0.073 0.000 0.769 864 P CB 0.321 32.041 31.700 0.033 0.000 0.807 865 N N -1.030 117.719 118.700 0.082 0.000 2.409 865 N HA 0.007 4.746 4.740 -0.000 0.000 0.179 865 N C -0.316 175.222 175.510 0.047 0.000 1.032 865 N CA 0.350 53.426 53.050 0.043 0.000 0.898 865 N CB 0.194 38.684 38.487 0.005 0.000 0.971 865 N HN -0.058 nan 8.380 nan 0.000 0.441 866 V N 1.332 121.317 119.914 0.118 0.000 2.327 866 V HA 0.156 4.276 4.120 -0.000 0.000 0.272 866 V C 0.788 177.050 176.094 0.281 0.000 1.019 866 V CA -0.310 62.061 62.300 0.118 0.000 0.814 866 V CB 1.345 33.173 31.823 0.010 0.000 1.040 866 V HN -0.098 nan 8.190 nan 0.000 0.440 867 V N 1.988 122.002 119.914 0.166 0.000 2.273 867 V HA -0.022 4.097 4.120 -0.000 0.000 0.242 867 V C 1.194 177.403 176.094 0.191 0.000 1.035 867 V CA 1.518 63.921 62.300 0.171 0.000 1.013 867 V CB 0.080 31.963 31.823 0.099 0.000 0.652 867 V HN 0.740 nan 8.190 nan 0.000 0.452 868 S N -0.195 115.567 115.700 0.103 0.000 2.718 868 S HA 0.334 4.804 4.470 -0.000 0.000 0.300 868 S C -0.167 174.345 174.600 -0.147 0.000 1.117 868 S CA -0.522 57.711 58.200 0.054 0.000 1.002 868 S CB 1.064 64.280 63.200 0.027 0.000 1.092 868 S HN 0.477 nan 8.310 nan 0.000 0.542 869 N N 2.933 121.495 118.700 -0.229 0.000 2.301 869 N HA -0.021 4.719 4.740 -0.000 0.000 0.267 869 N C -1.651 173.631 175.510 -0.380 0.000 1.304 869 N CA -1.071 51.654 53.050 -0.541 0.000 0.851 869 N CB 0.650 39.032 38.487 -0.176 0.000 1.070 869 N HN 0.240 nan 8.380 nan 0.000 0.483 870 P HA -0.022 nan 4.420 nan 0.000 0.242 870 P C 0.609 177.899 177.300 -0.016 0.000 1.197 870 P CA 0.512 63.469 63.100 -0.238 0.000 0.765 870 P CB 0.480 31.891 31.700 -0.481 0.000 0.936 871 V N -0.794 119.121 119.914 0.002 0.000 3.528 871 V HA 0.062 4.182 4.120 -0.000 0.000 0.294 871 V C 1.069 177.165 176.094 0.003 0.000 1.404 871 V CA -0.093 62.247 62.300 0.067 0.000 1.065 871 V CB 0.643 32.571 31.823 0.175 0.000 0.904 871 V HN -0.165 nan 8.190 nan 0.000 0.435 872 V N 2.128 122.020 119.914 -0.036 0.000 2.694 872 V HA 0.021 4.141 4.120 -0.000 0.000 0.306 872 V C 0.804 176.847 176.094 -0.085 0.000 1.054 872 V CA 0.423 62.689 62.300 -0.056 0.000 1.161 872 V CB 0.701 32.489 31.823 -0.059 0.000 0.916 872 V HN 0.494 nan 8.190 nan 0.000 0.490 873 R N 4.728 125.151 120.500 -0.128 0.000 2.254 873 R HA 0.546 4.886 4.340 -0.000 0.000 0.318 873 R C -1.293 174.835 176.300 -0.286 0.000 1.031 873 R CA -0.665 55.302 56.100 -0.222 0.000 0.905 873 R CB 0.880 31.023 30.300 -0.262 0.000 1.050 873 R HN 0.516 nan 8.270 nan 0.000 0.456 874 L N 5.613 126.666 121.223 -0.283 0.000 2.457 874 L HA 0.341 4.681 4.340 -0.000 0.000 0.266 874 L C -1.686 175.066 176.870 -0.196 0.000 0.979 874 L CA -0.635 54.071 54.840 -0.224 0.000 0.857 874 L CB 0.957 42.953 42.059 -0.104 0.000 1.213 874 L HN 0.501 nan 8.230 nan 0.000 0.418 875 Y N 2.259 122.550 120.300 -0.015 0.000 2.597 875 Y HA 0.028 4.578 4.550 -0.000 0.000 0.336 875 Y C 1.728 177.624 175.900 -0.007 0.000 1.216 875 Y CA 0.761 58.855 58.100 -0.010 0.000 1.463 875 Y CB 0.606 39.061 38.460 -0.008 0.000 1.303 875 Y HN 0.771 nan 8.280 nan 0.000 0.576 876 E N 1.364 121.667 120.200 0.172 0.000 2.070 876 E HA -0.358 3.992 4.350 -0.000 0.000 0.197 876 E C 1.395 178.042 176.600 0.077 0.000 1.004 876 E CA 2.155 58.609 56.400 0.091 0.000 0.805 876 E CB 0.138 29.881 29.700 0.072 0.000 0.744 876 E HN 0.876 nan 8.360 nan 0.000 0.451 877 Q N 0.688 120.537 119.800 0.081 0.000 2.197 877 Q HA -0.186 4.154 4.340 -0.000 0.000 0.207 877 Q C 1.737 177.772 176.000 0.058 0.000 0.984 877 Q CA 1.915 57.751 55.803 0.056 0.000 0.869 877 Q CB -0.027 28.732 28.738 0.036 0.000 0.906 877 Q HN 0.410 nan 8.270 nan 0.000 0.426 878 D N -0.270 120.180 120.400 0.084 0.000 2.213 878 D HA 0.010 4.649 4.640 -0.000 0.000 0.205 878 D C 1.690 178.009 176.300 0.031 0.000 0.961 878 D CA 1.062 55.094 54.000 0.054 0.000 0.853 878 D CB -0.103 40.739 40.800 0.069 0.000 0.967 878 D HN 0.290 nan 8.370 nan 0.000 0.496 879 A N 1.131 123.973 122.820 0.038 0.000 1.972 879 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 879 A C 2.302 179.903 177.584 0.028 0.000 1.169 879 A CA 0.723 52.775 52.037 0.025 0.000 0.635 879 A CB -0.727 18.288 19.000 0.026 0.000 0.810 879 A HN 0.182 nan 8.150 nan 0.000 0.446 880 L N -1.284 119.958 121.223 0.033 0.000 2.275 880 L HA -0.086 4.254 4.340 -0.000 0.000 0.215 880 L C 2.004 178.893 176.870 0.032 0.000 1.119 880 L CA 0.846 55.707 54.840 0.034 0.000 0.790 880 L CB -0.238 41.841 42.059 0.034 0.000 0.919 880 L HN 0.330 nan 8.230 nan 0.000 0.443 881 R N -0.921 119.592 120.500 0.022 0.000 2.426 881 R HA 0.199 4.539 4.340 -0.000 0.000 0.263 881 R C -0.185 176.107 176.300 -0.013 0.000 0.961 881 R CA -0.218 55.886 56.100 0.007 0.000 1.086 881 R CB 0.275 30.575 30.300 -0.000 0.000 1.186 881 R HN 0.124 nan 8.270 nan 0.000 0.537 882 M N 0.436 120.039 119.600 0.004 0.000 2.318 882 M HA 0.320 4.800 4.480 -0.000 0.000 0.347 882 M C 0.752 177.069 176.300 0.028 0.000 1.175 882 M CA -0.622 54.679 55.300 0.002 0.000 1.075 882 M CB 1.403 34.014 32.600 0.019 0.000 1.614 882 M HN 0.099 nan 8.290 nan 0.000 0.456 883 G N 2.350 111.158 108.800 0.013 0.000 2.521 883 G HA2 0.682 4.642 3.960 -0.000 0.000 0.323 883 G HA3 0.682 4.642 3.960 -0.000 0.000 0.323 883 G C -0.458 174.553 174.900 0.186 0.000 1.211 883 G CA -0.509 44.670 45.100 0.132 0.000 0.979 883 G HN 0.504 nan 8.290 nan 0.000 0.490 884 K N -0.605 119.954 120.400 0.266 0.000 2.350 884 K HA 0.241 4.561 4.320 -0.000 0.000 0.241 884 K C 1.081 177.779 176.600 0.163 0.000 0.994 884 K CA -0.868 55.519 56.287 0.167 0.000 0.839 884 K CB 2.328 34.891 32.500 0.105 0.000 1.244 884 K HN 0.691 nan 8.250 nan 0.000 0.443 885 K N -0.002 120.450 120.400 0.088 0.000 2.360 885 K HA -0.124 4.195 4.320 -0.000 0.000 0.201 885 K C 0.607 177.186 176.600 -0.036 0.000 1.046 885 K CA 1.541 57.848 56.287 0.033 0.000 0.945 885 K CB 0.141 32.653 32.500 0.021 0.000 0.750 885 K HN 0.330 nan 8.250 nan 0.000 0.464 886 E N 1.000 121.181 120.200 -0.031 0.000 2.150 886 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 886 E C 1.733 178.236 176.600 -0.161 0.000 0.985 886 E CA 1.290 57.643 56.400 -0.077 0.000 0.814 886 E CB 0.085 29.756 29.700 -0.049 0.000 0.752 886 E HN 0.396 nan 8.360 nan 0.000 0.466 887 Q N -1.352 118.317 119.800 -0.218 0.000 2.373 887 Q HA 0.193 4.533 4.340 -0.000 0.000 0.210 887 Q C -0.395 175.087 176.000 -0.863 0.000 0.913 887 Q CA 0.491 55.966 55.803 -0.546 0.000 0.911 887 Q CB 0.527 28.843 28.738 -0.703 0.000 1.040 887 Q HN 0.142 nan 8.270 nan 0.000 0.521 888 F N 1.016 120.921 119.950 -0.074 0.000 2.564 888 F HA 0.338 4.865 4.527 -0.000 0.000 0.361 888 F C -1.868 173.822 175.800 -0.184 0.000 1.161 888 F CA -2.268 55.677 58.000 -0.091 0.000 1.198 888 F CB 1.760 40.766 39.000 0.010 0.000 1.424 888 F HN -0.050 nan 8.300 nan 0.000 0.517 889 P HA -0.043 nan 4.420 nan 0.000 0.236 889 P C -0.453 176.644 177.300 -0.338 0.000 1.177 889 P CA 0.878 63.723 63.100 -0.424 0.000 0.773 889 P CB 0.178 31.474 31.700 -0.673 0.000 0.878 890 Y N -0.941 119.411 120.300 0.087 0.000 2.457 890 Y HA 0.334 4.884 4.550 -0.000 0.000 0.333 890 Y C 0.851 176.760 175.900 0.015 0.000 1.119 890 Y CA -1.846 56.284 58.100 0.051 0.000 1.143 890 Y CB 0.524 39.013 38.460 0.047 0.000 1.230 890 Y HN -0.416 nan 8.280 nan 0.000 0.469 891 V N 2.440 122.450 119.914 0.160 0.000 2.508 891 V HA 0.418 4.538 4.120 -0.000 0.000 0.281 891 V C 0.628 176.650 176.094 -0.120 0.000 1.041 891 V CA -0.275 62.029 62.300 0.008 0.000 1.016 891 V CB 0.538 32.379 31.823 0.029 0.000 0.984 891 V HN 0.935 nan 8.190 nan 0.000 0.478 892 G N 2.919 111.440 108.800 -0.466 0.000 2.371 892 G HA2 0.586 4.545 3.960 -0.000 0.000 0.326 892 G HA3 0.586 4.545 3.960 -0.000 0.000 0.326 892 G C -0.505 173.846 174.900 -0.914 0.000 1.127 892 G CA -0.269 44.332 45.100 -0.832 0.000 0.885 892 G HN 0.686 nan 8.290 nan 0.000 0.477 893 T N -0.325 114.046 114.554 -0.305 0.000 2.923 893 T HA 0.689 5.039 4.350 -0.000 0.000 0.311 893 T C -0.258 174.567 174.700 0.208 0.000 1.183 893 T CA -0.357 61.769 62.100 0.043 0.000 1.020 893 T CB 1.603 70.555 68.868 0.140 0.000 1.165 893 T HN 0.919 nan 8.240 nan 0.000 0.482 894 T N 1.880 116.581 114.554 0.246 0.000 2.885 894 T HA 0.874 5.224 4.350 -0.000 0.000 0.285 894 T C -0.979 173.734 174.700 0.023 0.000 1.019 894 T CA -0.603 61.487 62.100 -0.017 0.000 1.010 894 T CB 1.375 70.253 68.868 0.016 0.000 1.022 894 T HN 0.810 nan 8.240 nan 0.000 0.466 895 Y N -0.945 119.329 120.300 -0.044 0.000 2.871 895 Y HA 0.770 5.320 4.550 -0.000 0.000 0.331 895 Y C -0.961 174.867 175.900 -0.119 0.000 1.378 895 Y CA -1.777 56.285 58.100 -0.062 0.000 1.079 895 Y CB 0.676 39.133 38.460 -0.004 0.000 1.441 895 Y HN 0.732 nan 8.280 nan 0.000 0.446 896 R N 0.698 121.317 120.500 0.199 0.000 2.758 896 R HA 0.809 5.149 4.340 -0.000 0.000 0.265 896 R C -1.390 175.104 176.300 0.324 0.000 1.016 896 R CA -0.903 55.312 56.100 0.191 0.000 1.040 896 R CB 1.721 32.069 30.300 0.080 0.000 1.152 896 R HN 0.619 nan 8.270 nan 0.000 0.503 897 L N 0.105 121.557 121.223 0.382 0.000 2.342 897 L HA 0.340 4.680 4.340 -0.000 0.000 0.271 897 L C 0.984 177.806 176.870 -0.079 0.000 1.008 897 L CA -0.577 54.347 54.840 0.139 0.000 0.818 897 L CB 2.280 44.425 42.059 0.144 0.000 1.296 897 L HN 0.753 nan 8.230 nan 0.000 0.427 898 T N -0.822 113.674 114.554 -0.097 0.000 2.803 898 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 898 T C 1.227 175.761 174.700 -0.276 0.000 1.052 898 T CA 1.469 63.462 62.100 -0.178 0.000 1.136 898 T CB -0.110 68.672 68.868 -0.143 0.000 0.864 898 T HN 0.548 nan 8.240 nan 0.000 0.467 899 E N 0.088 120.099 120.200 -0.315 0.000 2.358 899 E HA 0.044 4.394 4.350 -0.000 0.000 0.195 899 E C 0.574 176.745 176.600 -0.715 0.000 1.010 899 E CA 0.677 56.801 56.400 -0.460 0.000 0.856 899 E CB 0.039 29.489 29.700 -0.417 0.000 0.795 899 E HN 0.558 nan 8.360 nan 0.000 0.504 900 H N -1.306 117.361 119.070 -0.671 0.000 2.821 900 H HA 0.337 4.893 4.556 -0.000 0.000 0.373 900 H C -1.346 173.493 175.328 -0.816 0.000 1.165 900 H CA -1.084 54.456 56.048 -0.846 0.000 1.154 900 H CB 1.320 30.385 29.762 -1.162 0.000 1.765 900 H HN -0.024 nan 8.280 nan 0.000 0.549 901 F N 2.249 121.807 119.950 -0.653 0.000 2.403 901 F HA 0.214 4.741 4.527 -0.000 0.000 0.355 901 F C 0.719 176.335 175.800 -0.306 0.000 1.119 901 F CA 0.117 57.718 58.000 -0.666 0.000 1.007 901 F CB 0.050 38.416 39.000 -1.058 0.000 1.194 901 F HN 0.800 nan 8.300 nan 0.000 0.443 902 H N 0.603 119.451 119.070 -0.370 0.000 1.452 902 H HA -0.310 4.246 4.556 -0.000 0.000 0.090 902 H C 0.958 176.249 175.328 -0.061 0.000 1.010 902 H CA 1.618 57.529 56.048 -0.229 0.000 1.901 902 H CB -0.875 28.736 29.762 -0.251 0.000 2.257 902 H HN 0.570 nan 8.280 nan 0.000 0.961 903 T N -2.551 112.076 114.554 0.122 0.000 3.214 903 T HA 0.021 4.371 4.350 -0.000 0.000 0.264 903 T C 0.889 175.674 174.700 0.142 0.000 1.012 903 T CA 0.262 62.353 62.100 -0.014 0.000 0.901 903 T CB 0.050 68.871 68.868 -0.078 0.000 1.070 903 T HN 0.506 nan 8.240 nan 0.000 0.561 904 W N 3.163 124.486 121.300 0.039 0.000 2.526 904 W HA 0.046 4.706 4.660 -0.000 0.000 0.294 904 W C 1.861 178.435 176.519 0.091 0.000 1.181 904 W CA 1.508 58.932 57.345 0.131 0.000 1.373 904 W CB -0.694 28.877 29.460 0.185 0.000 1.112 904 W HN 0.372 nan 8.180 nan 0.000 0.545 905 T N -0.221 114.416 114.554 0.138 0.000 3.113 905 T HA -0.120 4.230 4.350 -0.000 0.000 0.263 905 T C 1.485 176.244 174.700 0.099 0.000 1.143 905 T CA 1.237 63.357 62.100 0.033 0.000 1.090 905 T CB -0.476 68.278 68.868 -0.190 0.000 0.922 905 T HN 0.365 nan 8.240 nan 0.000 0.521 906 K N 0.430 120.769 120.400 -0.102 0.000 2.439 906 K HA -0.029 4.291 4.320 -0.000 0.000 0.197 906 K C 1.537 178.067 176.600 -0.118 0.000 1.041 906 K CA 0.789 56.946 56.287 -0.217 0.000 0.970 906 K CB -0.402 31.820 32.500 -0.464 0.000 0.773 906 K HN 0.450 nan 8.250 nan 0.000 0.479 907 H N 0.692 119.825 119.070 0.104 0.000 2.547 907 H HA 0.206 4.761 4.556 -0.000 0.000 0.266 907 H C 0.082 175.517 175.328 0.178 0.000 0.988 907 H CA 0.430 56.565 56.048 0.144 0.000 1.147 907 H CB 0.321 30.196 29.762 0.188 0.000 1.365 907 H HN 0.289 nan 8.280 nan 0.000 0.589 908 A N 1.420 124.400 122.820 0.266 0.000 2.258 908 A HA 0.216 4.536 4.320 -0.000 0.000 0.316 908 A C 1.144 178.817 177.584 0.148 0.000 1.279 908 A CA -0.454 51.718 52.037 0.224 0.000 0.876 908 A CB 0.970 20.102 19.000 0.219 0.000 1.170 908 A HN 0.187 nan 8.150 nan 0.000 0.520 909 L N 3.478 124.779 121.223 0.130 0.000 2.013 909 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 909 L C 2.051 178.964 176.870 0.073 0.000 1.073 909 L CA 2.046 56.945 54.840 0.099 0.000 0.753 909 L CB -0.723 41.390 42.059 0.091 0.000 0.890 909 L HN 0.817 nan 8.230 nan 0.000 0.432 910 L N -0.641 120.617 121.223 0.059 0.000 2.042 910 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 910 L C 2.134 178.989 176.870 -0.024 0.000 1.076 910 L CA 2.017 56.869 54.840 0.021 0.000 0.749 910 L CB -0.688 41.381 42.059 0.017 0.000 0.893 910 L HN 0.411 nan 8.230 nan 0.000 0.432 911 N N -0.393 118.281 118.700 -0.044 0.000 2.250 911 N HA -0.071 4.669 4.740 -0.000 0.000 0.181 911 N C 1.869 177.316 175.510 -0.106 0.000 1.017 911 N CA 1.028 53.965 53.050 -0.189 0.000 0.866 911 N CB -0.252 38.081 38.487 -0.257 0.000 0.985 911 N HN 0.285 nan 8.380 nan 0.000 0.429 912 A N 0.943 123.833 122.820 0.117 0.000 1.933 912 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 912 A C 2.074 179.742 177.584 0.139 0.000 1.175 912 A CA 1.015 53.170 52.037 0.198 0.000 0.628 912 A CB -0.719 18.373 19.000 0.154 0.000 0.814 912 A HN 0.228 nan 8.150 nan 0.000 0.444 913 I N -0.394 120.221 120.570 0.075 0.000 2.315 913 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 913 I C 2.892 179.035 176.117 0.044 0.000 1.117 913 I CA 1.007 62.343 61.300 0.060 0.000 1.404 913 I CB -0.284 37.738 38.000 0.037 0.000 1.071 913 I HN 0.353 nan 8.210 nan 0.000 0.419 914 A N -0.613 122.201 122.820 -0.011 0.000 1.929 914 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 914 A C 1.276 178.870 177.584 0.017 0.000 1.176 914 A CA 1.214 53.226 52.037 -0.041 0.000 0.628 914 A CB 0.053 18.970 19.000 -0.138 0.000 0.816 914 A HN 0.345 nan 8.150 nan 0.000 0.444 915 Q N -1.136 118.706 119.800 0.068 0.000 2.891 915 Q HA 0.225 4.565 4.340 -0.000 0.000 0.242 915 Q C -2.379 173.955 176.000 0.558 0.000 0.959 915 Q CA -1.578 54.419 55.803 0.324 0.000 0.707 915 Q CB 1.923 30.868 28.738 0.344 0.000 1.283 915 Q HN 0.393 nan 8.270 nan 0.000 0.480 916 P HA -0.041 nan 4.420 nan 0.000 0.224 916 P C -0.051 177.498 177.300 0.414 0.000 1.157 916 P CA 0.721 64.048 63.100 0.378 0.000 0.799 916 P CB 1.265 33.088 31.700 0.206 0.000 0.809 917 E N -0.336 120.017 120.200 0.255 0.000 2.308 917 E HA 0.189 4.538 4.350 -0.000 0.000 0.275 917 E C -0.834 175.224 176.600 -0.903 0.000 0.890 917 E CA -0.801 55.459 56.400 -0.233 0.000 0.754 917 E CB 1.678 31.327 29.700 -0.086 0.000 1.207 917 E HN -0.184 nan 8.360 nan 0.000 0.426 918 Q N 3.367 122.146 119.800 -1.702 0.000 2.304 918 Q HA 0.144 4.484 4.340 -0.000 0.000 0.301 918 Q C -1.090 174.496 176.000 -0.689 0.000 1.063 918 Q CA 0.461 55.180 55.803 -1.806 0.000 0.947 918 Q CB 0.238 28.439 28.738 -0.894 0.000 1.201 918 Q HN 0.391 nan 8.270 nan 0.000 0.389 919 F N 1.407 121.018 119.950 -0.564 0.000 2.664 919 F HA 0.762 5.289 4.527 -0.000 0.000 0.317 919 F C -1.450 174.303 175.800 -0.079 0.000 1.108 919 F CA -1.245 56.627 58.000 -0.214 0.000 0.957 919 F CB 0.702 39.628 39.000 -0.124 0.000 1.365 919 F HN 0.244 nan 8.300 nan 0.000 0.475 920 V N -1.598 118.483 119.914 0.279 0.000 2.962 920 V HA 0.695 4.815 4.120 -0.000 0.000 0.313 920 V C -1.159 175.115 176.094 0.300 0.000 1.099 920 V CA -0.885 61.542 62.300 0.211 0.000 0.971 920 V CB 1.754 33.636 31.823 0.098 0.000 1.028 920 V HN 0.927 nan 8.190 nan 0.000 0.430 921 E N 3.527 123.900 120.200 0.287 0.000 2.166 921 E HA 0.774 5.123 4.350 -0.000 0.000 0.275 921 E C -0.800 175.873 176.600 0.122 0.000 0.941 921 E CA -0.601 55.933 56.400 0.224 0.000 0.784 921 E CB 2.341 32.212 29.700 0.285 0.000 1.115 921 E HN 0.851 nan 8.360 nan 0.000 0.399 922 I N -1.224 119.380 120.570 0.056 0.000 2.894 922 I HA 0.501 4.671 4.170 -0.000 0.000 0.302 922 I C 0.036 176.145 176.117 -0.014 0.000 1.188 922 I CA -1.085 60.217 61.300 0.004 0.000 1.014 922 I CB 2.042 40.017 38.000 -0.041 0.000 1.242 922 I HN 0.448 nan 8.210 nan 0.000 0.430 923 S N 2.017 117.699 115.700 -0.030 0.000 2.608 923 S HA 0.256 4.725 4.470 -0.000 0.000 0.261 923 S C 0.616 175.193 174.600 -0.038 0.000 1.314 923 S CA -0.165 58.018 58.200 -0.028 0.000 0.992 923 S CB 1.244 64.430 63.200 -0.024 0.000 0.935 923 S HN 0.822 nan 8.310 nan 0.000 0.564 924 E N 0.441 120.622 120.200 -0.033 0.000 2.107 924 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 924 E C 1.968 178.549 176.600 -0.031 0.000 0.982 924 E CA 1.407 57.788 56.400 -0.033 0.000 0.809 924 E CB -0.464 29.217 29.700 -0.032 0.000 0.756 924 E HN 0.775 nan 8.360 nan 0.000 0.459 925 T N 1.899 116.436 114.554 -0.027 0.000 2.652 925 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 925 T C 1.850 176.528 174.700 -0.036 0.000 1.039 925 T CA 1.098 63.184 62.100 -0.023 0.000 1.153 925 T CB -0.285 68.575 68.868 -0.013 0.000 0.863 925 T HN 0.052 nan 8.240 nan 0.000 0.428 926 L N 1.289 122.472 121.223 -0.066 0.000 2.083 926 L HA 0.115 4.455 4.340 -0.000 0.000 0.209 926 L C 2.517 179.335 176.870 -0.087 0.000 1.083 926 L CA 1.794 56.565 54.840 -0.115 0.000 0.752 926 L CB -1.004 40.917 42.059 -0.230 0.000 0.899 926 L HN 0.218 nan 8.230 nan 0.000 0.433 927 A N -0.506 122.274 122.820 -0.065 0.000 1.898 927 A HA -0.022 4.297 4.320 -0.000 0.000 0.216 927 A C 2.451 180.016 177.584 -0.031 0.000 1.181 927 A CA 1.569 53.579 52.037 -0.046 0.000 0.620 927 A CB -1.080 17.897 19.000 -0.038 0.000 0.819 927 A HN 0.557 nan 8.150 nan 0.000 0.442 928 A N -0.054 122.750 122.820 -0.027 0.000 1.902 928 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 928 A C 2.489 180.067 177.584 -0.010 0.000 1.181 928 A CA 1.968 53.995 52.037 -0.017 0.000 0.623 928 A CB -0.990 18.002 19.000 -0.015 0.000 0.818 928 A HN 1.042 nan 8.150 nan 0.000 0.443 929 A N -0.352 122.462 122.820 -0.010 0.000 1.940 929 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 929 A C 1.922 179.510 177.584 0.008 0.000 1.176 929 A CA 1.748 53.788 52.037 0.004 0.000 0.631 929 A CB -0.239 18.768 19.000 0.011 0.000 0.814 929 A HN 0.368 nan 8.150 nan 0.000 0.446 930 K N -1.400 118.998 120.400 -0.002 0.000 2.374 930 K HA 0.195 4.515 4.320 -0.000 0.000 0.196 930 K C 0.938 177.538 176.600 0.001 0.000 1.023 930 K CA 0.676 56.967 56.287 0.006 0.000 1.103 930 K CB -0.048 32.455 32.500 0.004 0.000 0.848 930 K HN 0.791 nan 8.250 nan 0.000 0.528 931 G N 2.459 111.257 108.800 -0.005 0.000 2.225 931 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.264 931 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.264 931 G C -0.074 174.822 174.900 -0.007 0.000 1.060 931 G CA -0.069 45.028 45.100 -0.005 0.000 0.833 931 G HN 0.286 nan 8.290 nan 0.000 0.498 932 I N 0.795 121.358 120.570 -0.012 0.000 2.331 932 I HA 0.270 4.440 4.170 -0.000 0.000 0.292 932 I C 0.159 176.267 176.117 -0.016 0.000 0.998 932 I CA -0.950 60.342 61.300 -0.012 0.000 1.267 932 I CB 0.955 38.946 38.000 -0.015 0.000 1.386 932 I HN 0.045 nan 8.210 nan 0.000 0.476 933 N N 4.360 123.051 118.700 -0.014 0.000 2.508 933 N HA 0.148 4.888 4.740 -0.000 0.000 0.285 933 N C -0.291 175.206 175.510 -0.022 0.000 1.144 933 N CA -0.607 52.432 53.050 -0.018 0.000 0.978 933 N CB 0.771 39.249 38.487 -0.016 0.000 1.180 933 N HN 0.471 nan 8.380 nan 0.000 0.484 934 N N 0.107 118.790 118.700 -0.029 0.000 2.359 934 N HA 0.051 4.791 4.740 -0.000 0.000 0.261 934 N C 1.144 176.633 175.510 -0.035 0.000 1.267 934 N CA 1.690 54.718 53.050 -0.037 0.000 0.864 934 N CB 0.014 38.474 38.487 -0.046 0.000 1.063 934 N HN 0.748 nan 8.380 nan 0.000 0.474 935 G N 2.042 110.819 108.800 -0.037 0.000 2.195 935 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.246 935 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.246 935 G C -0.183 174.707 174.900 -0.016 0.000 0.984 935 G CA 0.164 45.244 45.100 -0.032 0.000 0.633 935 G HN 0.657 nan 8.290 nan 0.000 0.525 936 D N 0.142 120.535 120.400 -0.012 0.000 2.357 936 D HA 0.461 5.101 4.640 -0.000 0.000 0.242 936 D C 0.960 177.262 176.300 0.003 0.000 1.153 936 D CA -0.185 53.813 54.000 -0.004 0.000 0.918 936 D CB 0.622 41.420 40.800 -0.004 0.000 1.181 936 D HN 0.399 nan 8.370 nan 0.000 0.435 937 R N 0.315 120.820 120.500 0.008 0.000 2.539 937 R HA 0.436 4.776 4.340 -0.000 0.000 0.275 937 R C -0.584 175.725 176.300 0.014 0.000 1.077 937 R CA -0.399 55.710 56.100 0.015 0.000 1.097 937 R CB 0.517 30.830 30.300 0.022 0.000 1.018 937 R HN 0.294 nan 8.270 nan 0.000 0.483 938 V N -0.825 119.098 119.914 0.016 0.000 3.130 938 V HA 0.631 4.751 4.120 -0.000 0.000 0.310 938 V C -0.815 175.289 176.094 0.016 0.000 1.158 938 V CA -0.854 61.457 62.300 0.017 0.000 1.029 938 V CB 2.323 34.159 31.823 0.021 0.000 1.057 938 V HN 0.718 nan 8.190 nan 0.000 0.436 939 T N 1.849 116.419 114.554 0.026 0.000 2.786 939 T HA 0.653 5.002 4.350 -0.000 0.000 0.283 939 T C -0.568 174.178 174.700 0.078 0.000 0.992 939 T CA -0.307 61.816 62.100 0.039 0.000 0.954 939 T CB 1.354 70.232 68.868 0.015 0.000 0.934 939 T HN 0.719 nan 8.240 nan 0.000 0.440 940 V N 4.260 124.229 119.914 0.091 0.000 2.398 940 V HA 0.711 4.831 4.120 -0.000 0.000 0.286 940 V C 0.146 176.352 176.094 0.187 0.000 1.026 940 V CA -0.584 61.795 62.300 0.132 0.000 0.868 940 V CB 1.410 33.297 31.823 0.106 0.000 0.982 940 V HN 1.065 nan 8.190 nan 0.000 0.443 941 S N 3.234 119.083 115.700 0.248 0.000 2.632 941 S HA 0.938 5.408 4.470 -0.000 0.000 0.289 941 S C -0.442 174.316 174.600 0.264 0.000 1.115 941 S CA -0.400 57.971 58.200 0.285 0.000 0.889 941 S CB 2.287 65.686 63.200 0.331 0.000 1.116 941 S HN 0.978 nan 8.310 nan 0.000 0.486 942 S N 0.218 115.950 115.700 0.053 0.000 2.806 942 S HA 0.584 5.054 4.470 -0.000 0.000 0.306 942 S C 0.466 174.674 174.600 -0.653 0.000 1.167 942 S CA -0.740 57.189 58.200 -0.453 0.000 0.847 942 S CB 1.265 64.332 63.200 -0.223 0.000 1.216 942 S HN 0.736 nan 8.310 nan 0.000 0.532 943 K N 0.447 120.255 120.400 -0.987 0.000 2.280 943 K HA 0.088 4.407 4.320 -0.000 0.000 0.202 943 K C 1.771 178.304 176.600 -0.112 0.000 1.047 943 K CA 1.406 57.446 56.287 -0.412 0.000 0.942 943 K CB -0.241 32.090 32.500 -0.281 0.000 0.739 943 K HN 0.636 nan 8.250 nan 0.000 0.457 944 R N -1.414 119.016 120.500 -0.117 0.000 2.223 944 R HA 0.295 4.635 4.340 -0.000 0.000 0.198 944 R C 0.697 177.008 176.300 0.018 0.000 0.984 944 R CA 0.449 56.527 56.100 -0.037 0.000 1.018 944 R CB 0.841 31.102 30.300 -0.066 0.000 0.945 944 R HN 0.269 nan 8.270 nan 0.000 0.479 945 G N -0.082 108.747 108.800 0.049 0.000 2.335 945 G HA2 0.343 4.302 3.960 -0.000 0.000 0.291 945 G HA3 0.343 4.302 3.960 -0.000 0.000 0.291 945 G C -1.781 173.241 174.900 0.203 0.000 1.261 945 G CA -0.745 44.427 45.100 0.120 0.000 0.871 945 G HN 0.112 nan 8.290 nan 0.000 0.491 946 F N -0.737 119.228 119.950 0.025 0.000 2.686 946 F HA 0.872 5.399 4.527 -0.000 0.000 0.311 946 F C -0.837 174.891 175.800 -0.120 0.000 1.128 946 F CA -1.472 56.518 58.000 -0.018 0.000 0.946 946 F CB 1.428 40.422 39.000 -0.010 0.000 1.336 946 F HN 0.815 nan 8.300 nan 0.000 0.457 947 I N -0.302 120.144 120.570 -0.206 0.000 2.969 947 I HA 0.745 4.915 4.170 -0.000 0.000 0.307 947 I C -1.404 174.426 176.117 -0.478 0.000 1.149 947 I CA -1.268 59.647 61.300 -0.641 0.000 1.008 947 I CB 2.771 40.572 38.000 -0.331 0.000 1.232 947 I HN 0.755 nan 8.210 nan 0.000 0.435 948 R N 3.165 123.155 120.500 -0.850 0.000 2.670 948 R HA 0.937 5.277 4.340 -0.000 0.000 0.289 948 R C -0.953 175.281 176.300 -0.110 0.000 0.965 948 R CA -0.964 54.971 56.100 -0.274 0.000 0.899 948 R CB 2.169 32.417 30.300 -0.087 0.000 1.173 948 R HN 0.982 nan 8.270 nan 0.000 0.456 949 A N 1.398 124.202 122.820 -0.027 0.000 2.540 949 A HA 0.463 4.782 4.320 -0.000 0.000 0.291 949 A C -1.154 176.434 177.584 0.006 0.000 1.083 949 A CA -0.684 51.345 52.037 -0.014 0.000 0.650 949 A CB 1.153 20.128 19.000 -0.042 0.000 1.292 949 A HN 0.324 nan 8.150 nan 0.000 0.435 950 V N 0.701 120.620 119.914 0.007 0.000 2.775 950 V HA 0.505 4.625 4.120 -0.000 0.000 0.299 950 V C 0.906 177.036 176.094 0.060 0.000 1.062 950 V CA 0.366 62.682 62.300 0.026 0.000 1.063 950 V CB 1.242 33.077 31.823 0.020 0.000 0.994 950 V HN 1.463 nan 8.190 nan 0.000 0.483 951 A N 4.525 127.363 122.820 0.030 0.000 2.260 951 A HA 0.636 4.956 4.320 -0.000 0.000 0.308 951 A C -0.495 177.084 177.584 -0.008 0.000 1.254 951 A CA -0.396 51.660 52.037 0.031 0.000 0.874 951 A CB 0.815 19.821 19.000 0.010 0.000 1.153 951 A HN 0.641 nan 8.150 nan 0.000 0.527 952 V N 4.786 124.697 119.914 -0.005 0.000 2.304 952 V HA 0.191 4.311 4.120 -0.000 0.000 0.269 952 V C -0.121 175.949 176.094 -0.040 0.000 1.036 952 V CA -0.243 61.997 62.300 -0.099 0.000 0.840 952 V CB 1.000 32.666 31.823 -0.262 0.000 1.036 952 V HN 0.619 nan 8.190 nan 0.000 0.466 953 V N 5.020 124.904 119.914 -0.050 0.000 2.406 953 V HA 0.644 4.764 4.120 -0.000 0.000 0.272 953 V C 0.307 176.373 176.094 -0.047 0.000 1.043 953 V CA 0.108 62.385 62.300 -0.038 0.000 0.915 953 V CB 1.481 33.281 31.823 -0.039 0.000 0.988 953 V HN 0.913 nan 8.190 nan 0.000 0.466 954 T N 4.009 118.539 114.554 -0.040 0.000 2.885 954 T HA 0.364 4.714 4.350 -0.000 0.000 0.322 954 T C 0.523 175.192 174.700 -0.052 0.000 1.387 954 T CA -0.683 61.386 62.100 -0.052 0.000 1.041 954 T CB 1.643 70.481 68.868 -0.050 0.000 1.287 954 T HN 0.570 nan 8.240 nan 0.000 0.491 955 R N 0.963 121.417 120.500 -0.077 0.000 2.316 955 R HA 0.156 4.496 4.340 -0.000 0.000 0.202 955 R C 2.269 178.507 176.300 -0.103 0.000 1.029 955 R CA 0.559 56.607 56.100 -0.087 0.000 1.018 955 R CB 0.008 30.238 30.300 -0.116 0.000 0.888 955 R HN 0.483 nan 8.270 nan 0.000 0.471 956 R N -0.060 120.380 120.500 -0.101 0.000 2.189 956 R HA -0.038 4.302 4.340 -0.000 0.000 0.223 956 R C -0.167 176.145 176.300 0.020 0.000 1.092 956 R CA 0.738 56.801 56.100 -0.062 0.000 0.989 956 R CB 0.012 30.305 30.300 -0.011 0.000 0.876 956 R HN -0.008 nan 8.270 nan 0.000 0.457 957 L N 0.696 121.930 121.223 0.018 0.000 2.322 957 L HA 0.340 4.680 4.340 -0.000 0.000 0.281 957 L C -0.574 176.314 176.870 0.030 0.000 1.014 957 L CA 0.030 54.895 54.840 0.041 0.000 0.815 957 L CB 1.880 43.962 42.059 0.038 0.000 1.247 957 L HN -0.205 nan 8.230 nan 0.000 0.421 958 K N 3.673 124.106 120.400 0.055 0.000 2.498 958 K HA 0.554 4.874 4.320 -0.000 0.000 0.254 958 K C -2.592 174.039 176.600 0.051 0.000 0.933 958 K CA -1.620 54.693 56.287 0.044 0.000 0.806 958 K CB 2.394 34.928 32.500 0.057 0.000 1.301 958 K HN 0.293 nan 8.250 nan 0.000 0.432 959 P HA 0.131 nan 4.420 nan 0.000 0.272 959 P C -0.875 176.456 177.300 0.051 0.000 1.223 959 P CA -0.149 62.978 63.100 0.045 0.000 0.784 959 P CB 0.779 32.501 31.700 0.038 0.000 0.923 960 L N 2.094 123.350 121.223 0.054 0.000 2.333 960 L HA 0.391 4.731 4.340 -0.000 0.000 0.269 960 L C 0.576 177.470 176.870 0.039 0.000 1.010 960 L CA -0.968 53.901 54.840 0.048 0.000 0.818 960 L CB 1.463 43.552 42.059 0.051 0.000 1.306 960 L HN 0.266 nan 8.230 nan 0.000 0.430 961 N N 1.836 120.553 118.700 0.028 0.000 2.406 961 N HA 0.300 5.040 4.740 -0.000 0.000 0.251 961 N C -1.030 174.487 175.510 0.011 0.000 1.069 961 N CA -0.063 52.999 53.050 0.019 0.000 0.947 961 N CB 1.850 40.344 38.487 0.012 0.000 1.111 961 N HN 0.150 nan 8.380 nan 0.000 0.497 962 V N 2.981 122.903 119.914 0.013 0.000 2.525 962 V HA 0.197 4.316 4.120 -0.000 0.000 0.299 962 V C 0.486 176.580 176.094 0.000 0.000 1.034 962 V CA -0.874 61.428 62.300 0.004 0.000 0.863 962 V CB 1.395 33.229 31.823 0.018 0.000 0.999 962 V HN 0.729 nan 8.190 nan 0.000 0.423 963 N N 3.895 122.586 118.700 -0.015 0.000 2.714 963 N HA -0.210 4.530 4.740 -0.000 0.000 0.252 963 N C 1.117 176.623 175.510 -0.007 0.000 1.014 963 N CA 1.863 54.903 53.050 -0.016 0.000 0.735 963 N CB -0.895 37.586 38.487 -0.010 0.000 0.924 963 N HN 1.624 nan 8.380 nan 0.000 0.540 964 G N -1.887 106.910 108.800 -0.006 0.000 2.184 964 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.264 964 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.264 964 G C -0.002 174.903 174.900 0.007 0.000 0.975 964 G CA 0.878 45.978 45.100 -0.001 0.000 0.642 964 G HN 0.661 nan 8.290 nan 0.000 0.536 965 Q N -0.789 119.019 119.800 0.014 0.000 2.306 965 Q HA 0.603 4.942 4.340 -0.000 0.000 0.269 965 Q C -0.520 175.498 176.000 0.031 0.000 1.053 965 Q CA -0.929 54.888 55.803 0.023 0.000 0.879 965 Q CB 1.025 29.780 28.738 0.029 0.000 1.344 965 Q HN 0.172 nan 8.270 nan 0.000 0.464 966 Q N 1.310 121.135 119.800 0.042 0.000 2.340 966 Q HA 0.361 4.701 4.340 -0.000 0.000 0.259 966 Q C -1.069 174.975 176.000 0.073 0.000 0.964 966 Q CA -0.277 55.557 55.803 0.051 0.000 0.900 966 Q CB 1.597 30.367 28.738 0.053 0.000 1.228 966 Q HN 0.333 nan 8.270 nan 0.000 0.449 967 V N 3.278 123.236 119.914 0.074 0.000 2.394 967 V HA 0.299 4.419 4.120 -0.000 0.000 0.282 967 V C 0.307 176.464 176.094 0.106 0.000 1.031 967 V CA -0.597 61.763 62.300 0.099 0.000 0.881 967 V CB 1.708 33.580 31.823 0.082 0.000 0.982 967 V HN 0.586 nan 8.190 nan 0.000 0.451 968 E N 2.156 122.449 120.200 0.156 0.000 2.212 968 E HA 0.571 4.921 4.350 -0.000 0.000 0.270 968 E C -0.702 175.960 176.600 0.104 0.000 0.956 968 E CA -0.453 56.005 56.400 0.096 0.000 0.825 968 E CB 2.359 32.065 29.700 0.010 0.000 1.167 968 E HN 0.608 nan 8.360 nan 0.000 0.400 969 T N 0.729 115.312 114.554 0.048 0.000 2.856 969 T HA 0.401 4.751 4.350 -0.000 0.000 0.283 969 T C -0.448 174.267 174.700 0.026 0.000 1.008 969 T CA -0.567 61.565 62.100 0.054 0.000 0.997 969 T CB 1.470 70.375 68.868 0.061 0.000 0.992 969 T HN 0.087 nan 8.240 nan 0.000 0.454 970 V N 2.368 122.304 119.914 0.037 0.000 2.384 970 V HA 0.658 4.778 4.120 -0.000 0.000 0.287 970 V C 0.698 176.853 176.094 0.101 0.000 1.020 970 V CA -0.788 61.541 62.300 0.048 0.000 0.850 970 V CB 1.520 33.373 31.823 0.051 0.000 0.987 970 V HN 1.039 nan 8.190 nan 0.000 0.436 971 G N 4.715 113.624 108.800 0.182 0.000 2.325 971 G HA2 0.655 4.615 3.960 -0.000 0.000 0.298 971 G HA3 0.655 4.615 3.960 -0.000 0.000 0.298 971 G C -0.836 174.161 174.900 0.161 0.000 1.134 971 G CA -0.308 45.011 45.100 0.365 0.000 0.876 971 G HN 0.617 nan 8.290 nan 0.000 0.452 972 I N 4.277 124.778 120.570 -0.114 0.000 2.464 972 I HA 0.262 4.432 4.170 -0.000 0.000 0.277 972 I C -2.233 173.525 176.117 -0.597 0.000 1.040 972 I CA -1.938 59.217 61.300 -0.241 0.000 1.153 972 I CB 2.408 40.381 38.000 -0.045 0.000 1.274 972 I HN 0.240 nan 8.210 nan 0.000 0.469 973 P HA 0.102 nan 4.420 nan 0.000 0.267 973 P C 0.760 177.809 177.300 -0.418 0.000 1.200 973 P CA 0.000 62.761 63.100 -0.566 0.000 0.772 973 P CB 0.546 32.113 31.700 -0.221 0.000 0.855 974 I N -1.281 118.906 120.570 -0.637 0.000 3.884 974 I HA 0.174 4.344 4.170 -0.000 0.000 0.330 974 I C 0.454 176.186 176.117 -0.641 0.000 1.451 974 I CA 0.069 61.036 61.300 -0.556 0.000 1.165 974 I CB -0.487 37.184 38.000 -0.547 0.000 1.097 974 I HN 0.290 nan 8.210 nan 0.000 0.404 975 H N 0.173 119.002 119.070 -0.402 0.000 2.553 975 H HA 0.213 4.768 4.556 -0.000 0.000 0.265 975 H C 0.139 174.997 175.328 -0.784 0.000 0.964 975 H CA 0.126 55.731 56.048 -0.739 0.000 1.156 975 H CB 0.077 29.072 29.762 -1.278 0.000 1.411 975 H HN 0.449 nan 8.280 nan 0.000 0.558 976 W N 0.603 121.808 121.300 -0.159 0.000 2.497 976 W HA 0.491 5.151 4.660 -0.000 0.000 0.359 976 W C 0.648 177.081 176.519 -0.144 0.000 1.131 976 W CA -0.346 56.907 57.345 -0.154 0.000 1.280 976 W CB 1.702 31.099 29.460 -0.104 0.000 1.319 976 W HN 0.134 nan 8.180 nan 0.000 0.626 977 G N 0.004 108.844 108.800 0.065 0.000 2.529 977 G HA2 0.305 4.265 3.960 -0.000 0.000 0.238 977 G HA3 0.305 4.265 3.960 -0.000 0.000 0.238 977 G C -1.260 173.613 174.900 -0.044 0.000 1.207 977 G CA -0.544 44.520 45.100 -0.061 0.000 0.928 977 G HN 0.436 nan 8.290 nan 0.000 0.495 978 F N -0.201 119.646 119.950 -0.172 0.000 2.661 978 F HA 0.640 5.166 4.527 -0.000 0.000 0.306 978 F C -0.021 175.616 175.800 -0.271 0.000 1.094 978 F CA -0.657 57.185 58.000 -0.262 0.000 1.254 978 F CB 0.788 39.535 39.000 -0.423 0.000 1.040 978 F HN 0.009 nan 8.300 nan 0.000 0.562 979 E N 1.268 121.300 120.200 -0.280 0.000 2.248 979 E HA 0.691 5.041 4.350 -0.000 0.000 0.267 979 E C 0.021 176.460 176.600 -0.268 0.000 0.877 979 E CA -0.350 55.973 56.400 -0.128 0.000 0.759 979 E CB 1.873 31.555 29.700 -0.029 0.000 1.182 979 E HN 0.397 nan 8.360 nan 0.000 0.418 980 G N -0.364 108.327 108.800 -0.182 0.000 2.361 980 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.331 980 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.331 980 G C 0.006 174.863 174.900 -0.070 0.000 1.324 980 G CA -0.253 44.623 45.100 -0.374 0.000 0.984 980 G HN 0.532 nan 8.290 nan 0.000 0.586 981 V N -2.312 117.587 119.914 -0.024 0.000 3.621 981 V HA 0.720 4.840 4.120 -0.000 0.000 0.285 981 V C 1.288 177.421 176.094 0.065 0.000 1.346 981 V CA 1.504 63.834 62.300 0.051 0.000 1.104 981 V CB -0.221 31.655 31.823 0.088 0.000 0.913 981 V HN 2.195 nan 8.190 nan 0.000 0.432 982 A N 1.030 123.882 122.820 0.053 0.000 2.240 982 A HA 0.625 4.945 4.320 -0.000 0.000 0.292 982 A C 0.516 178.190 177.584 0.149 0.000 1.121 982 A CA -0.842 51.279 52.037 0.140 0.000 0.851 982 A CB 0.337 19.454 19.000 0.195 0.000 1.167 982 A HN 0.521 nan 8.150 nan 0.000 0.503 983 R N 0.578 121.189 120.500 0.185 0.000 2.537 983 R HA 0.108 4.448 4.340 -0.000 0.000 0.280 983 R C 0.233 176.598 176.300 0.110 0.000 1.058 983 R CA -0.192 55.973 56.100 0.110 0.000 1.057 983 R CB 0.463 30.802 30.300 0.066 0.000 0.973 983 R HN 0.712 nan 8.270 nan 0.000 0.438 984 K N 1.265 121.704 120.400 0.065 0.000 2.485 984 K HA 0.088 4.407 4.320 -0.000 0.000 0.277 984 K C -0.020 176.585 176.600 0.009 0.000 0.990 984 K CA 0.335 56.648 56.287 0.044 0.000 0.994 984 K CB 0.582 33.097 32.500 0.025 0.000 0.906 984 K HN 0.768 nan 8.250 nan 0.000 0.488 985 G N 2.039 110.843 108.800 0.007 0.000 2.947 985 G HA2 0.398 4.358 3.960 -0.000 0.000 0.293 985 G HA3 0.398 4.358 3.960 -0.000 0.000 0.293 985 G C -1.897 172.938 174.900 -0.109 0.000 1.243 985 G CA -0.652 44.454 45.100 0.010 0.000 0.802 985 G HN 0.513 nan 8.290 nan 0.000 0.560 986 Y N -0.266 120.067 120.300 0.055 0.000 2.429 986 Y HA 0.496 5.046 4.550 -0.000 0.000 0.342 986 Y C 0.388 176.308 175.900 0.032 0.000 1.004 986 Y CA -1.071 57.050 58.100 0.035 0.000 1.075 986 Y CB 1.776 40.214 38.460 -0.037 0.000 1.214 986 Y HN 0.131 nan 8.280 nan 0.000 0.455 987 I N 2.703 123.376 120.570 0.172 0.000 2.662 987 I HA -0.066 4.104 4.170 -0.000 0.000 0.285 987 I C 1.406 177.556 176.117 0.055 0.000 1.161 987 I CA 0.311 61.656 61.300 0.076 0.000 1.415 987 I CB 0.040 38.079 38.000 0.065 0.000 1.385 987 I HN 0.952 nan 8.210 nan 0.000 0.552 988 A N 6.020 128.844 122.820 0.007 0.000 1.978 988 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 988 A C 1.810 179.377 177.584 -0.028 0.000 1.170 988 A CA 1.626 53.653 52.037 -0.017 0.000 0.636 988 A CB -0.821 18.132 19.000 -0.079 0.000 0.810 988 A HN 0.818 nan 8.150 nan 0.000 0.448 989 N N -0.832 117.847 118.700 -0.034 0.000 2.609 989 N HA -0.055 4.685 4.740 -0.000 0.000 0.190 989 N C 1.078 176.571 175.510 -0.028 0.000 1.157 989 N CA 0.907 53.944 53.050 -0.022 0.000 0.918 989 N CB -0.123 38.380 38.487 0.028 0.000 0.978 989 N HN 0.425 nan 8.380 nan 0.000 0.448 990 T N 0.438 114.980 114.554 -0.020 0.000 2.881 990 T HA -0.049 4.301 4.350 -0.000 0.000 0.270 990 T C 1.584 176.245 174.700 -0.065 0.000 1.068 990 T CA 0.795 62.875 62.100 -0.033 0.000 1.131 990 T CB 0.030 68.868 68.868 -0.049 0.000 0.871 990 T HN 0.268 nan 8.240 nan 0.000 0.479 991 L N 0.796 121.968 121.223 -0.085 0.000 2.354 991 L HA 0.135 4.475 4.340 -0.000 0.000 0.212 991 L C 1.495 178.138 176.870 -0.379 0.000 1.091 991 L CA 0.272 55.039 54.840 -0.120 0.000 0.828 991 L CB -0.643 41.440 42.059 0.041 0.000 0.973 991 L HN 0.285 nan 8.230 nan 0.000 0.461 992 T N -1.266 113.008 114.554 -0.467 0.000 2.904 992 T HA 0.327 4.677 4.350 -0.000 0.000 0.290 992 T C -2.479 171.956 174.700 -0.442 0.000 1.018 992 T CA -1.815 59.837 62.100 -0.747 0.000 1.075 992 T CB 1.190 69.794 68.868 -0.439 0.000 0.986 992 T HN -0.122 nan 8.240 nan 0.000 0.523 993 P HA 0.254 nan 4.420 nan 0.000 0.282 993 P C -0.664 176.507 177.300 -0.214 0.000 1.249 993 P CA -0.606 62.352 63.100 -0.236 0.000 0.806 993 P CB 0.559 32.168 31.700 -0.152 0.000 0.984 994 N N 1.842 120.455 118.700 -0.144 0.000 3.298 994 N HA 0.293 5.032 4.740 -0.000 0.000 0.292 994 N C -1.190 174.254 175.510 -0.110 0.000 1.271 994 N CA -0.225 52.746 53.050 -0.131 0.000 1.184 994 N CB -0.696 37.752 38.487 -0.064 0.000 1.452 994 N HN 0.149 nan 8.380 nan 0.000 0.534 995 V N -0.031 119.791 119.914 -0.154 0.000 3.087 995 V HA 0.940 5.060 4.120 -0.000 0.000 0.306 995 V C -0.186 175.815 176.094 -0.155 0.000 1.187 995 V CA -0.345 61.877 62.300 -0.130 0.000 0.999 995 V CB 1.766 33.535 31.823 -0.091 0.000 1.049 995 V HN 0.421 nan 8.190 nan 0.000 0.431 996 G N 2.294 111.020 108.800 -0.125 0.000 2.788 996 G HA2 0.479 4.438 3.960 -0.000 0.000 0.293 996 G HA3 0.479 4.438 3.960 -0.000 0.000 0.293 996 G C -1.311 173.559 174.900 -0.050 0.000 1.392 996 G CA -0.455 44.580 45.100 -0.108 0.000 0.810 996 G HN 0.902 nan 8.290 nan 0.000 0.508 997 D N -0.481 119.909 120.400 -0.017 0.000 2.506 997 D HA 0.331 4.971 4.640 -0.000 0.000 0.234 997 D C 1.573 177.876 176.300 0.004 0.000 1.143 997 D CA 0.789 54.802 54.000 0.021 0.000 0.871 997 D CB 1.184 42.011 40.800 0.045 0.000 1.190 997 D HN 0.509 nan 8.370 nan 0.000 0.459 998 A N 3.875 126.705 122.820 0.016 0.000 2.125 998 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 998 A C 1.728 179.322 177.584 0.018 0.000 1.156 998 A CA 1.133 53.177 52.037 0.012 0.000 0.671 998 A CB -0.273 18.748 19.000 0.035 0.000 0.794 998 A HN 0.696 nan 8.150 nan 0.000 0.459 999 N N -0.540 118.175 118.700 0.024 0.000 2.420 999 N HA -0.064 4.676 4.740 -0.000 0.000 0.185 999 N C 1.771 177.291 175.510 0.016 0.000 1.033 999 N CA 1.532 54.596 53.050 0.023 0.000 0.879 999 N CB -0.076 38.429 38.487 0.029 0.000 1.071 999 N HN 0.572 nan 8.380 nan 0.000 0.437 1000 S N -0.146 115.571 115.700 0.028 0.000 2.524 1000 S HA 0.121 4.591 4.470 -0.000 0.000 0.215 1000 S C 0.317 174.924 174.600 0.012 0.000 0.986 1000 S CA -0.062 58.156 58.200 0.030 0.000 0.911 1000 S CB 0.561 63.801 63.200 0.066 0.000 0.805 1000 S HN 0.049 nan 8.310 nan 0.000 0.501 1001 Q N 0.532 120.327 119.800 -0.007 0.000 2.493 1001 Q HA -0.116 4.223 4.340 -0.000 0.000 0.260 1001 Q C -0.610 175.357 176.000 -0.055 0.000 0.905 1001 Q CA 1.036 56.816 55.803 -0.039 0.000 1.140 1001 Q CB -3.004 25.711 28.738 -0.039 0.000 1.435 1001 Q HN 0.631 nan 8.270 nan 0.000 0.581 1002 T N 2.723 117.263 114.554 -0.024 0.000 2.814 1002 T HA 0.351 4.701 4.350 -0.000 0.000 0.297 1002 T C -2.150 172.477 174.700 -0.122 0.000 0.956 1002 T CA -0.768 61.318 62.100 -0.024 0.000 1.123 1002 T CB 0.998 69.898 68.868 0.054 0.000 0.902 1002 T HN -0.011 nan 8.240 nan 0.000 0.528 1003 P HA 0.099 nan 4.420 nan 0.000 0.269 1003 P C -0.148 176.877 177.300 -0.457 0.000 1.215 1003 P CA -0.235 62.538 63.100 -0.545 0.000 0.780 1003 P CB 0.437 31.476 31.700 -1.101 0.000 0.898 1004 E N 1.376 121.377 120.200 -0.330 0.000 2.261 1004 E HA 0.030 4.380 4.350 -0.000 0.000 0.308 1004 E C -0.126 176.418 176.600 -0.093 0.000 1.400 1004 E CA -0.003 56.304 56.400 -0.156 0.000 1.542 1004 E CB -0.659 29.015 29.700 -0.045 0.000 1.369 1004 E HN 0.397 nan 8.360 nan 0.000 0.493 1005 Y N 0.383 120.653 120.300 -0.050 0.000 2.561 1005 Y HA -0.001 4.549 4.550 -0.000 0.000 0.291 1005 Y C 1.682 177.681 175.900 0.165 0.000 1.141 1005 Y CA 0.342 58.445 58.100 0.004 0.000 1.303 1005 Y CB 0.287 38.729 38.460 -0.031 0.000 1.015 1005 Y HN 0.139 nan 8.280 nan 0.000 0.547 1006 K N -0.018 120.474 120.400 0.152 0.000 2.367 1006 K HA 0.449 4.769 4.320 -0.000 0.000 0.194 1006 K C 0.012 176.706 176.600 0.157 0.000 1.027 1006 K CA 0.381 56.733 56.287 0.108 0.000 1.075 1006 K CB 0.670 33.112 32.500 -0.096 0.000 0.845 1006 K HN 0.079 nan 8.250 nan 0.000 0.529 1007 A N 1.419 124.374 122.820 0.225 0.000 2.547 1007 A HA 0.555 4.875 4.320 -0.000 0.000 0.279 1007 A C -0.788 176.956 177.584 0.266 0.000 1.088 1007 A CA -0.811 51.343 52.037 0.196 0.000 0.796 1007 A CB 0.271 19.441 19.000 0.282 0.000 1.308 1007 A HN 0.140 nan 8.150 nan 0.000 0.415 1008 F N 0.203 120.208 119.950 0.092 0.000 3.049 1008 F HA 0.888 5.415 4.527 -0.000 0.000 0.329 1008 F C -1.482 174.364 175.800 0.076 0.000 1.208 1008 F CA -1.634 56.402 58.000 0.060 0.000 0.956 1008 F CB 0.917 39.930 39.000 0.021 0.000 1.469 1008 F HN 0.310 nan 8.300 nan 0.000 0.516 1009 L N 2.131 123.491 121.223 0.229 0.000 2.386 1009 L HA 0.846 5.186 4.340 -0.000 0.000 0.271 1009 L C -0.745 176.234 176.870 0.182 0.000 0.993 1009 L CA -1.111 53.805 54.840 0.126 0.000 0.819 1009 L CB 2.104 44.261 42.059 0.164 0.000 1.294 1009 L HN 0.772 nan 8.230 nan 0.000 0.414 1010 V N -0.613 119.426 119.914 0.208 0.000 3.167 1010 V HA 0.726 4.846 4.120 -0.000 0.000 0.310 1010 V C -1.321 175.027 176.094 0.423 0.000 1.207 1010 V CA -0.679 61.812 62.300 0.319 0.000 1.059 1010 V CB 2.189 34.172 31.823 0.266 0.000 1.079 1010 V HN 0.764 nan 8.190 nan 0.000 0.446 1011 N N 0.024 119.019 118.700 0.493 0.000 2.312 1011 N HA 0.747 5.487 4.740 -0.000 0.000 0.296 1011 N C -1.495 174.232 175.510 0.360 0.000 1.193 1011 N CA -0.663 52.611 53.050 0.374 0.000 0.773 1011 N CB 2.114 40.715 38.487 0.190 0.000 1.435 1011 N HN 1.103 nan 8.380 nan 0.000 0.484 1012 I N 0.579 121.358 120.570 0.348 0.000 2.686 1012 I HA 0.476 4.646 4.170 -0.000 0.000 0.295 1012 I C -1.303 174.897 176.117 0.139 0.000 1.114 1012 I CA -0.472 60.944 61.300 0.195 0.000 1.038 1012 I CB 1.472 39.539 38.000 0.111 0.000 1.238 1012 I HN 0.443 nan 8.210 nan 0.000 0.420 1013 E N 5.557 125.807 120.200 0.083 0.000 2.367 1013 E HA 0.399 4.749 4.350 -0.000 0.000 0.273 1013 E C -1.337 175.279 176.600 0.028 0.000 0.903 1013 E CA -0.958 55.472 56.400 0.049 0.000 0.764 1013 E CB 2.181 31.900 29.700 0.031 0.000 1.252 1013 E HN 0.469 nan 8.360 nan 0.000 0.446 1014 K N 0.728 121.138 120.400 0.017 0.000 2.436 1014 K HA 0.449 4.769 4.320 -0.000 0.000 0.275 1014 K C -0.092 176.512 176.600 0.006 0.000 0.999 1014 K CA 0.120 56.412 56.287 0.010 0.000 0.980 1014 K CB 0.580 33.083 32.500 0.005 0.000 0.919 1014 K HN 0.526 nan 8.250 nan 0.000 0.484 1015 A N 0.000 122.825 122.820 0.008 0.000 2.254 1015 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1015 A CA 0.000 52.042 52.037 0.008 0.000 0.836 1015 A CB 0.000 19.008 19.000 0.014 0.000 0.831 1015 A HN 0.000 nan 8.150 nan 0.000 0.486