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 1kqf_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 0.007 0.000 1.003 34 Q CA 0.000 55.806 55.803 0.006 0.000 1.022 34 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 35 A N 1.050 123.875 122.820 0.009 0.000 2.492 35 A HA 0.330 4.650 4.320 -0.000 0.000 0.236 35 A C 0.250 177.841 177.584 0.011 0.000 1.078 35 A CA 0.371 52.414 52.037 0.010 0.000 0.773 35 A CB -0.034 18.976 19.000 0.016 0.000 1.023 35 A HN 0.705 nan 8.150 nan 0.000 0.504 36 R N 1.627 122.130 120.500 0.005 0.000 2.679 36 R HA 0.115 4.455 4.340 -0.000 0.000 0.268 36 R C 0.030 176.339 176.300 0.015 0.000 1.044 36 R CA -0.437 55.664 56.100 0.001 0.000 1.105 36 R CB 0.210 30.502 30.300 -0.014 0.000 0.989 36 R HN 0.677 nan 8.270 nan 0.000 0.447 37 N N 0.929 119.641 118.700 0.020 0.000 2.381 37 N HA -0.111 4.628 4.740 -0.000 0.000 0.241 37 N C -1.178 174.370 175.510 0.062 0.000 1.279 37 N CA -0.149 52.931 53.050 0.050 0.000 0.896 37 N CB 0.254 38.767 38.487 0.043 0.000 1.118 37 N HN 0.572 nan 8.380 nan 0.000 0.438 38 Y N 2.082 122.367 120.300 -0.025 0.000 2.605 38 Y HA -0.014 4.536 4.550 -0.000 0.000 0.336 38 Y C 1.648 177.530 175.900 -0.030 0.000 1.111 38 Y CA 0.217 58.292 58.100 -0.041 0.000 1.422 38 Y CB 0.443 38.877 38.460 -0.043 0.000 1.193 38 Y HN 0.564 nan 8.280 nan 0.000 0.526 39 K N 4.201 124.411 120.400 -0.317 0.000 2.515 39 K HA -0.054 4.266 4.320 -0.000 0.000 0.196 39 K C 0.174 176.762 176.600 -0.020 0.000 1.038 39 K CA 1.465 57.666 56.287 -0.142 0.000 0.967 39 K CB -0.133 32.294 32.500 -0.122 0.000 0.780 39 K HN 0.722 nan 8.250 nan 0.000 0.483 40 L N 0.730 121.874 121.223 -0.132 0.000 2.766 40 L HA 0.185 4.525 4.340 -0.000 0.000 0.242 40 L C 1.616 178.611 176.870 0.208 0.000 1.136 40 L CA -0.334 54.519 54.840 0.023 0.000 0.933 40 L CB -0.088 41.784 42.059 -0.312 0.000 1.241 40 L HN 0.038 nan 8.230 nan 0.000 0.522 41 L N 0.278 121.665 121.223 0.274 0.000 2.137 41 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 41 L C 2.025 178.986 176.870 0.151 0.000 1.085 41 L CA 1.475 56.438 54.840 0.206 0.000 0.760 41 L CB -0.279 41.879 42.059 0.164 0.000 0.893 41 L HN 0.280 nan 8.230 nan 0.000 0.434 42 R N -0.517 120.075 120.500 0.154 0.000 2.659 42 R HA 0.368 4.708 4.340 -0.000 0.000 0.418 42 R C -0.193 176.207 176.300 0.167 0.000 1.076 42 R CA -0.004 56.175 56.100 0.132 0.000 1.093 42 R CB 0.422 30.778 30.300 0.094 0.000 1.400 42 R HN 0.139 nan 8.270 nan 0.000 0.583 43 A N 0.350 123.312 122.820 0.236 0.000 2.271 43 A HA 0.409 4.729 4.320 -0.000 0.000 0.288 43 A C -0.564 177.161 177.584 0.236 0.000 1.094 43 A CA -0.495 51.721 52.037 0.297 0.000 0.828 43 A CB 0.445 19.698 19.000 0.421 0.000 1.091 43 A HN 0.268 nan 8.150 nan 0.000 0.493 44 K N 0.755 121.265 120.400 0.182 0.000 2.258 44 K HA 0.219 4.539 4.320 -0.000 0.000 0.284 44 K C -0.318 176.289 176.600 0.012 0.000 1.051 44 K CA -0.046 56.294 56.287 0.089 0.000 0.923 44 K CB 0.488 33.023 32.500 0.059 0.000 1.046 44 K HN 0.736 nan 8.250 nan 0.000 0.474 45 E N 4.827 124.995 120.200 -0.053 0.000 2.156 45 E HA 0.271 4.621 4.350 -0.000 0.000 0.279 45 E C -1.221 175.243 176.600 -0.227 0.000 0.965 45 E CA -0.774 55.460 56.400 -0.276 0.000 0.789 45 E CB 0.751 30.370 29.700 -0.135 0.000 1.098 45 E HN 0.455 nan 8.360 nan 0.000 0.397 46 I N 3.718 124.122 120.570 -0.277 0.000 2.498 46 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 46 I C -0.204 175.872 176.117 -0.067 0.000 1.032 46 I CA -0.589 60.633 61.300 -0.130 0.000 1.073 46 I CB 1.930 39.897 38.000 -0.055 0.000 1.251 46 I HN 0.385 nan 8.210 nan 0.000 0.426 47 R N 3.903 124.424 120.500 0.035 0.000 2.308 47 R HA 0.517 4.857 4.340 -0.000 0.000 0.305 47 R C -0.289 176.252 176.300 0.401 0.000 1.053 47 R CA -0.444 55.771 56.100 0.192 0.000 0.957 47 R CB 0.790 31.201 30.300 0.186 0.000 1.022 47 R HN 0.602 nan 8.270 nan 0.000 0.461 48 N N -0.018 118.864 118.700 0.303 0.000 3.344 48 N HA 0.375 5.115 4.740 -0.000 0.000 0.296 48 N C -1.470 174.167 175.510 0.212 0.000 1.571 48 N CA -0.420 52.803 53.050 0.289 0.000 0.844 48 N CB 2.526 41.132 38.487 0.198 0.000 1.718 48 N HN 0.363 nan 8.380 nan 0.000 0.589 49 T N 0.228 114.851 114.554 0.114 0.000 2.876 49 T HA 0.294 4.644 4.350 -0.000 0.000 0.289 49 T C -0.238 174.358 174.700 -0.173 0.000 1.014 49 T CA -0.306 61.800 62.100 0.010 0.000 0.986 49 T CB 1.559 70.468 68.868 0.069 0.000 1.021 49 T HN 0.605 nan 8.240 nan 0.000 0.458 50 C N 2.116 121.260 119.300 -0.261 0.000 2.563 50 C HA 0.148 4.608 4.460 -0.000 0.000 0.411 50 C C 2.239 176.862 174.990 -0.611 0.000 1.386 50 C CA 0.618 59.351 59.018 -0.475 0.000 1.703 50 C CB -0.174 27.343 27.740 -0.371 0.000 2.596 50 C HN 1.059 nan 8.230 nan 0.000 0.605 51 T N 3.169 117.093 114.554 -1.050 0.000 3.100 51 T HA 0.114 4.464 4.350 -0.000 0.000 0.253 51 T C 0.873 175.045 174.700 -0.879 0.000 1.118 51 T CA 1.092 62.644 62.100 -0.914 0.000 1.058 51 T CB -0.207 67.986 68.868 -1.127 0.000 0.953 51 T HN 0.805 nan 8.240 nan 0.000 0.515 52 Y N 1.274 121.029 120.300 -0.908 0.000 2.362 52 Y HA 0.280 4.830 4.550 -0.000 0.000 0.258 52 Y C 2.041 177.343 175.900 -0.997 0.000 1.048 52 Y CA -0.336 56.871 58.100 -1.489 0.000 1.070 52 Y CB -1.070 36.381 38.460 -1.681 0.000 1.028 52 Y HN 0.382 nan 8.280 nan 0.000 0.475 53 C N 0.010 119.061 119.300 -0.415 0.000 2.365 53 C HA 0.472 4.932 4.460 -0.000 0.000 0.374 53 C C 1.964 176.967 174.990 0.022 0.000 1.318 53 C CA -0.171 58.808 59.018 -0.065 0.000 2.239 53 C CB 0.588 28.296 27.740 -0.053 0.000 2.144 53 C HN 0.625 nan 8.230 nan 0.000 0.581 54 S N 0.193 116.017 115.700 0.207 0.000 2.660 54 S HA -0.041 4.429 4.470 -0.000 0.000 0.223 54 S C 1.164 175.927 174.600 0.271 0.000 0.963 54 S CA 0.841 59.206 58.200 0.276 0.000 0.932 54 S CB -0.726 62.704 63.200 0.384 0.000 0.775 54 S HN 0.786 nan 8.310 nan 0.000 0.531 55 V N 1.507 121.404 119.914 -0.029 0.000 2.407 55 V HA 0.090 4.210 4.120 -0.000 0.000 0.248 55 V C 2.087 177.986 176.094 -0.325 0.000 1.055 55 V CA 1.416 63.369 62.300 -0.579 0.000 1.049 55 V CB -1.696 29.648 31.823 -0.797 0.000 0.662 55 V HN 0.841 nan 8.190 nan 0.000 0.455 56 G N -0.724 107.967 108.800 -0.181 0.000 2.182 56 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 56 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 56 G C 0.105 174.841 174.900 -0.273 0.000 1.042 56 G CA -0.084 44.948 45.100 -0.113 0.000 0.775 56 G HN 0.508 nan 8.290 nan 0.000 0.501 57 C N 0.568 119.655 119.300 -0.356 0.000 2.563 57 C HA 0.492 4.952 4.460 -0.000 0.000 0.411 57 C C 1.735 176.470 174.990 -0.424 0.000 1.386 57 C CA 0.349 59.093 59.018 -0.456 0.000 1.703 57 C CB -0.071 27.486 27.740 -0.306 0.000 2.596 57 C HN 1.001 nan 8.230 nan 0.000 0.605 58 G N 3.189 111.658 108.800 -0.552 0.000 2.432 58 G HA2 0.522 4.481 3.960 -0.000 0.000 0.257 58 G HA3 0.522 4.481 3.960 -0.000 0.000 0.257 58 G C -0.690 174.202 174.900 -0.014 0.000 1.238 58 G CA -0.423 44.602 45.100 -0.125 0.000 0.838 58 G HN 0.720 nan 8.290 nan 0.000 0.547 59 L N 0.907 122.167 121.223 0.062 0.000 2.323 59 L HA 0.591 4.930 4.340 -0.000 0.000 0.265 59 L C -0.383 176.525 176.870 0.063 0.000 1.012 59 L CA -0.906 53.961 54.840 0.044 0.000 0.820 59 L CB 2.291 44.374 42.059 0.040 0.000 1.334 59 L HN 0.232 nan 8.230 nan 0.000 0.427 60 L N 2.703 123.935 121.223 0.014 0.000 2.406 60 L HA 0.528 4.868 4.340 -0.000 0.000 0.270 60 L C -0.710 176.008 176.870 -0.253 0.000 0.982 60 L CA -0.217 54.567 54.840 -0.093 0.000 0.843 60 L CB 1.791 43.872 42.059 0.037 0.000 1.225 60 L HN 0.566 nan 8.230 nan 0.000 0.412 61 M N 2.806 122.183 119.600 -0.372 0.000 2.423 61 M HA 0.468 4.947 4.480 -0.000 0.000 0.335 61 M C -1.429 174.476 176.300 -0.659 0.000 1.177 61 M CA -0.530 54.566 55.300 -0.341 0.000 1.038 61 M CB 1.711 34.214 32.600 -0.162 0.000 1.641 61 M HN 0.253 nan 8.290 nan 0.000 0.455 62 Y N 0.137 120.351 120.300 -0.145 0.000 2.350 62 Y HA 0.456 5.006 4.550 -0.000 0.000 0.338 62 Y C -0.125 175.654 175.900 -0.201 0.000 0.961 62 Y CA -0.577 57.411 58.100 -0.187 0.000 1.100 62 Y CB 1.965 40.245 38.460 -0.300 0.000 1.179 62 Y HN 0.574 nan 8.280 nan 0.000 0.454 63 S N 3.179 118.933 115.700 0.090 0.000 2.532 63 S HA 0.459 4.929 4.470 -0.000 0.000 0.301 63 S C -1.186 173.648 174.600 0.390 0.000 1.083 63 S CA -0.732 57.599 58.200 0.219 0.000 1.025 63 S CB 1.464 64.727 63.200 0.105 0.000 1.056 63 S HN 0.561 nan 8.310 nan 0.000 0.494 64 L N 3.148 124.618 121.223 0.412 0.000 2.369 64 L HA 0.647 4.987 4.340 -0.000 0.000 0.279 64 L C 0.339 177.285 176.870 0.127 0.000 1.108 64 L CA 1.249 56.218 54.840 0.215 0.000 0.852 64 L CB -0.605 41.464 42.059 0.017 0.000 1.169 64 L HN 0.901 nan 8.230 nan 0.000 0.452 65 G N 3.871 112.736 108.800 0.110 0.000 2.528 65 G HA2 0.015 3.975 3.960 -0.000 0.000 0.681 65 G HA3 0.015 3.975 3.960 -0.000 0.000 0.681 65 G C -0.427 174.521 174.900 0.080 0.000 1.340 65 G CA -0.153 44.992 45.100 0.075 0.000 0.855 65 G HN 0.945 nan 8.290 nan 0.000 0.649 66 D N -0.416 120.021 120.400 0.061 0.000 2.358 66 D HA 0.430 5.070 4.640 -0.000 0.000 0.224 66 D C 1.709 178.035 176.300 0.043 0.000 1.123 66 D CA 0.711 54.744 54.000 0.056 0.000 0.833 66 D CB 0.126 40.956 40.800 0.049 0.000 0.946 66 D HN 2.123 nan 8.370 nan 0.000 0.505 67 G N -0.582 108.242 108.800 0.042 0.000 2.176 67 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.232 67 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.232 67 G C 0.579 175.498 174.900 0.031 0.000 0.986 67 G CA -0.027 45.094 45.100 0.035 0.000 0.643 67 G HN 0.813 nan 8.290 nan 0.000 0.522 68 A N 0.271 123.109 122.820 0.031 0.000 2.483 68 A HA 0.581 4.901 4.320 -0.000 0.000 0.238 68 A C 1.405 179.005 177.584 0.027 0.000 1.070 68 A CA 1.471 53.524 52.037 0.027 0.000 0.770 68 A CB 0.270 19.285 19.000 0.025 0.000 1.008 68 A HN 0.610 nan 8.150 nan 0.000 0.497 69 K N 0.837 121.252 120.400 0.025 0.000 2.152 69 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 69 K C 0.838 177.453 176.600 0.025 0.000 1.048 69 K CA 1.888 58.190 56.287 0.025 0.000 0.933 69 K CB -0.083 32.432 32.500 0.024 0.000 0.721 69 K HN 0.759 nan 8.250 nan 0.000 0.447 70 N N 0.198 118.912 118.700 0.023 0.000 2.494 70 N HA -0.009 4.731 4.740 -0.000 0.000 0.182 70 N C -0.389 175.134 175.510 0.022 0.000 1.076 70 N CA 0.631 53.694 53.050 0.022 0.000 0.908 70 N CB 0.370 38.868 38.487 0.019 0.000 0.967 70 N HN 0.150 nan 8.380 nan 0.000 0.449 71 A N 0.806 123.641 122.820 0.025 0.000 2.260 71 A HA 0.382 4.702 4.320 -0.000 0.000 0.314 71 A C 0.176 177.777 177.584 0.029 0.000 1.257 71 A CA -0.651 51.402 52.037 0.026 0.000 0.871 71 A CB 0.612 19.630 19.000 0.029 0.000 1.166 71 A HN 0.110 nan 8.150 nan 0.000 0.522 72 R N 3.041 123.558 120.500 0.027 0.000 2.220 72 R HA 0.221 4.560 4.340 -0.000 0.000 0.340 72 R C -0.699 175.620 176.300 0.033 0.000 1.076 72 R CA -0.252 55.865 56.100 0.028 0.000 0.920 72 R CB 0.161 30.476 30.300 0.026 0.000 1.062 72 R HN 0.783 nan 8.270 nan 0.000 0.469 73 E N 2.208 122.429 120.200 0.036 0.000 2.481 73 E HA 0.079 4.429 4.350 -0.000 0.000 0.263 73 E C -0.754 175.874 176.600 0.046 0.000 0.992 73 E CA 0.869 57.297 56.400 0.047 0.000 0.938 73 E CB 0.908 30.632 29.700 0.039 0.000 0.933 73 E HN 0.633 nan 8.360 nan 0.000 0.453 74 A N 3.785 126.653 122.820 0.079 0.000 2.414 74 A HA 0.398 4.717 4.320 -0.000 0.000 0.286 74 A C -0.577 177.101 177.584 0.157 0.000 1.073 74 A CA -0.712 51.375 52.037 0.084 0.000 0.727 74 A CB 0.561 19.605 19.000 0.073 0.000 1.215 74 A HN 0.573 nan 8.150 nan 0.000 0.430 75 I N 3.043 123.670 120.570 0.094 0.000 2.598 75 I HA 0.049 4.219 4.170 -0.000 0.000 0.284 75 I C 0.737 176.968 176.117 0.190 0.000 1.140 75 I CA 0.567 61.922 61.300 0.093 0.000 1.420 75 I CB 0.489 38.480 38.000 -0.014 0.000 1.387 75 I HN 0.884 nan 8.210 nan 0.000 0.553 76 Y N 3.947 124.306 120.300 0.098 0.000 2.563 76 Y HA 0.447 4.997 4.550 -0.000 0.000 0.250 76 Y C 0.052 176.063 175.900 0.185 0.000 1.126 76 Y CA -0.723 57.442 58.100 0.108 0.000 1.231 76 Y CB 0.160 38.669 38.460 0.082 0.000 1.288 76 Y HN 0.605 nan 8.280 nan 0.000 0.537 77 H N 0.268 119.221 119.070 -0.195 0.000 3.112 77 H HA 0.662 5.218 4.556 -0.000 0.000 0.347 77 H C -2.201 173.143 175.328 0.027 0.000 1.188 77 H CA -1.352 54.627 56.048 -0.114 0.000 1.240 77 H CB 1.429 31.031 29.762 -0.266 0.000 1.920 77 H HN 0.193 nan 8.280 nan 0.000 0.535 78 I N 4.179 124.347 120.570 -0.671 0.000 2.656 78 I HA 0.367 4.537 4.170 -0.000 0.000 0.292 78 I C -0.834 174.965 176.117 -0.530 0.000 1.144 78 I CA -0.540 60.513 61.300 -0.411 0.000 1.038 78 I CB 2.224 40.144 38.000 -0.133 0.000 1.244 78 I HN 0.761 nan 8.210 nan 0.000 0.420 79 E N 3.953 124.012 120.200 -0.236 0.000 2.442 79 E HA 0.683 5.033 4.350 -0.000 0.000 0.271 79 E C -0.579 176.030 176.600 0.014 0.000 1.002 79 E CA -1.102 55.253 56.400 -0.074 0.000 0.864 79 E CB 1.402 31.141 29.700 0.065 0.000 1.573 79 E HN 0.505 nan 8.360 nan 0.000 0.456 80 G N -0.155 108.664 108.800 0.030 0.000 2.572 80 G HA2 0.221 4.181 3.960 -0.000 0.000 0.261 80 G HA3 0.221 4.181 3.960 -0.000 0.000 0.261 80 G C -0.813 174.136 174.900 0.081 0.000 1.197 80 G CA -0.238 44.880 45.100 0.030 0.000 0.870 80 G HN 0.458 nan 8.290 nan 0.000 0.548 81 D N 0.853 121.306 120.400 0.088 0.000 2.396 81 D HA 0.244 4.884 4.640 -0.000 0.000 0.225 81 D C -1.020 175.358 176.300 0.131 0.000 1.121 81 D CA -2.264 51.822 54.000 0.144 0.000 0.853 81 D CB 1.904 42.834 40.800 0.217 0.000 1.043 81 D HN 0.041 nan 8.370 nan 0.000 0.500 82 P HA -0.103 nan 4.420 nan 0.000 0.221 82 P C 0.347 177.695 177.300 0.080 0.000 1.145 82 P CA 0.763 63.915 63.100 0.088 0.000 0.795 82 P CB 0.599 32.348 31.700 0.081 0.000 0.775 83 D N -1.858 118.609 120.400 0.111 0.000 2.347 83 D HA -0.054 4.586 4.640 -0.000 0.000 0.213 83 D C 0.693 176.883 176.300 -0.183 0.000 0.985 83 D CA 0.353 54.398 54.000 0.076 0.000 0.879 83 D CB -0.911 40.026 40.800 0.227 0.000 0.919 83 D HN 0.355 nan 8.370 nan 0.000 0.526 84 H N 2.076 120.996 119.070 -0.250 0.000 3.004 84 H HA 0.013 4.569 4.556 -0.000 0.000 0.316 84 H C -1.305 173.727 175.328 -0.494 0.000 1.014 84 H CA -1.007 54.672 56.048 -0.613 0.000 1.454 84 H CB 1.353 30.995 29.762 -0.200 0.000 1.472 84 H HN -0.141 nan 8.280 nan 0.000 0.571 85 P HA -0.169 nan 4.420 nan 0.000 0.220 85 P C 1.140 178.419 177.300 -0.034 0.000 1.148 85 P CA 0.804 63.683 63.100 -0.368 0.000 0.803 85 P CB 0.385 31.856 31.700 -0.381 0.000 0.782 86 V N 0.771 120.755 119.914 0.117 0.000 2.379 86 V HA -0.123 3.997 4.120 -0.000 0.000 0.243 86 V C 2.755 179.082 176.094 0.388 0.000 1.035 86 V CA 2.418 64.882 62.300 0.273 0.000 1.035 86 V CB -1.335 30.548 31.823 0.100 0.000 0.673 86 V HN 0.272 nan 8.190 nan 0.000 0.457 87 S N -1.216 114.628 115.700 0.241 0.000 2.470 87 S HA 0.001 4.471 4.470 -0.000 0.000 0.222 87 S C 1.097 175.734 174.600 0.060 0.000 1.024 87 S CA -0.176 58.051 58.200 0.044 0.000 0.931 87 S CB -0.052 63.071 63.200 -0.128 0.000 0.791 87 S HN 0.424 nan 8.310 nan 0.000 0.513 88 R N 1.212 121.781 120.500 0.115 0.000 3.405 88 R HA -0.188 4.152 4.340 -0.000 0.000 0.258 88 R C 1.183 177.506 176.300 0.039 0.000 1.030 88 R CA 0.814 56.961 56.100 0.079 0.000 0.691 88 R CB -2.713 27.651 30.300 0.107 0.000 1.093 88 R HN 1.204 nan 8.270 nan 0.000 0.448 89 G N -2.373 106.449 108.800 0.036 0.000 2.234 89 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.235 89 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.235 89 G C 0.347 175.241 174.900 -0.009 0.000 0.997 89 G CA 0.441 45.556 45.100 0.026 0.000 0.623 89 G HN 0.973 nan 8.290 nan 0.000 0.514 90 A N 0.086 122.881 122.820 -0.041 0.000 2.332 90 A HA 0.818 5.138 4.320 -0.000 0.000 0.258 90 A C 0.013 177.542 177.584 -0.091 0.000 1.087 90 A CA 0.354 52.348 52.037 -0.070 0.000 0.802 90 A CB 0.536 19.473 19.000 -0.104 0.000 1.042 90 A HN 1.092 nan 8.150 nan 0.000 0.489 91 L N 1.017 122.183 121.223 -0.095 0.000 2.513 91 L HA 0.308 4.648 4.340 -0.000 0.000 0.261 91 L C 0.143 176.943 176.870 -0.116 0.000 0.945 91 L CA -0.983 53.789 54.840 -0.114 0.000 0.848 91 L CB 1.733 43.735 42.059 -0.094 0.000 1.334 91 L HN 1.119 nan 8.230 nan 0.000 0.407 92 C N 0.732 119.946 119.300 -0.143 0.000 2.641 92 C HA 0.405 4.865 4.460 -0.000 0.000 0.318 92 C C -0.682 174.217 174.990 -0.150 0.000 1.490 92 C CA -0.872 58.057 59.018 -0.148 0.000 2.260 92 C CB 0.414 28.048 27.740 -0.177 0.000 2.103 92 C HN 0.758 nan 8.230 nan 0.000 0.641 93 P HA -0.107 nan 4.420 nan 0.000 0.222 93 P C 1.095 178.269 177.300 -0.210 0.000 1.147 93 P CA 1.776 64.772 63.100 -0.174 0.000 0.790 93 P CB -0.046 31.537 31.700 -0.196 0.000 0.780 94 K N -0.097 120.135 120.400 -0.280 0.000 2.021 94 K HA 0.017 4.337 4.320 -0.000 0.000 0.205 94 K C 2.601 179.141 176.600 -0.099 0.000 1.047 94 K CA 1.427 57.486 56.287 -0.381 0.000 0.943 94 K CB -0.998 31.083 32.500 -0.697 0.000 0.725 94 K HN 0.106 nan 8.250 nan 0.000 0.439 95 G N 1.430 110.173 108.800 -0.095 0.000 2.418 95 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 95 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 95 G C 1.635 176.496 174.900 -0.065 0.000 1.158 95 G CA 0.979 46.031 45.100 -0.080 0.000 0.771 95 G HN 0.350 nan 8.290 nan 0.000 0.545 96 A N 0.349 123.124 122.820 -0.073 0.000 2.067 96 A HA 0.274 4.594 4.320 -0.000 0.000 0.219 96 A C 2.350 179.922 177.584 -0.020 0.000 1.158 96 A CA 1.740 53.746 52.037 -0.050 0.000 0.661 96 A CB -0.355 18.614 19.000 -0.052 0.000 0.801 96 A HN 0.556 nan 8.150 nan 0.000 0.452 97 G N -1.173 107.621 108.800 -0.010 0.000 3.337 97 G HA2 0.304 4.264 3.960 -0.000 0.000 0.246 97 G HA3 0.304 4.264 3.960 -0.000 0.000 0.246 97 G C 1.089 176.052 174.900 0.105 0.000 1.131 97 G CA -0.019 45.099 45.100 0.030 0.000 0.773 97 G HN 0.361 nan 8.290 nan 0.000 0.544 98 L N -0.054 121.237 121.223 0.114 0.000 2.137 98 L HA -0.174 4.165 4.340 -0.000 0.000 0.213 98 L C 2.678 179.677 176.870 0.215 0.000 1.085 98 L CA 0.774 55.729 54.840 0.192 0.000 0.760 98 L CB -0.264 41.859 42.059 0.107 0.000 0.893 98 L HN 0.341 nan 8.230 nan 0.000 0.434 99 L N -0.039 121.262 121.223 0.130 0.000 2.043 99 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 99 L C 1.771 178.718 176.870 0.128 0.000 1.075 99 L CA 1.997 56.901 54.840 0.107 0.000 0.752 99 L CB -0.560 41.554 42.059 0.092 0.000 0.891 99 L HN 0.187 nan 8.230 nan 0.000 0.432 100 D N -2.245 118.249 120.400 0.157 0.000 2.348 100 D HA -0.148 4.492 4.640 -0.000 0.000 0.216 100 D C 1.609 178.066 176.300 0.263 0.000 0.970 100 D CA 0.796 54.900 54.000 0.174 0.000 0.889 100 D CB 0.016 40.905 40.800 0.149 0.000 0.912 100 D HN 0.566 nan 8.370 nan 0.000 0.524 101 Y N 0.613 121.023 120.300 0.184 0.000 2.266 101 Y HA -0.004 4.546 4.550 -0.000 0.000 0.294 101 Y C 1.944 177.970 175.900 0.210 0.000 1.127 101 Y CA 0.655 58.908 58.100 0.255 0.000 1.140 101 Y CB -0.606 38.058 38.460 0.340 0.000 1.071 101 Y HN -0.192 nan 8.280 nan 0.000 0.525 102 V N 1.894 121.700 119.914 -0.180 0.000 2.324 102 V HA -0.311 3.809 4.120 -0.000 0.000 0.250 102 V C 1.055 177.057 176.094 -0.154 0.000 1.060 102 V CA 2.337 64.440 62.300 -0.329 0.000 1.042 102 V CB -0.683 31.029 31.823 -0.184 0.000 0.650 102 V HN 0.464 nan 8.190 nan 0.000 0.450 103 N N -0.238 118.449 118.700 -0.021 0.000 2.321 103 N HA 0.122 4.862 4.740 -0.000 0.000 0.242 103 N C 0.417 175.962 175.510 0.057 0.000 1.141 103 N CA 0.111 53.170 53.050 0.014 0.000 0.864 103 N CB 0.560 39.072 38.487 0.041 0.000 1.100 103 N HN 0.366 nan 8.380 nan 0.000 0.510 104 S N 0.711 116.465 115.700 0.090 0.000 2.558 104 S HA -0.020 4.450 4.470 -0.000 0.000 0.288 104 S C 1.356 176.013 174.600 0.095 0.000 1.318 104 S CA -0.081 58.205 58.200 0.144 0.000 1.056 104 S CB 0.841 64.183 63.200 0.236 0.000 0.853 104 S HN 0.121 nan 8.310 nan 0.000 0.505 105 E N 2.762 123.027 120.200 0.109 0.000 2.338 105 E HA -0.042 4.308 4.350 -0.000 0.000 0.197 105 E C 0.562 177.207 176.600 0.075 0.000 1.007 105 E CA 0.597 57.047 56.400 0.083 0.000 0.849 105 E CB -0.205 29.551 29.700 0.093 0.000 0.774 105 E HN 0.558 nan 8.360 nan 0.000 0.506 106 N N 0.994 119.753 118.700 0.098 0.000 2.276 106 N HA 0.006 4.746 4.740 -0.000 0.000 0.212 106 N C 0.081 175.569 175.510 -0.037 0.000 1.127 106 N CA 0.003 53.086 53.050 0.054 0.000 0.834 106 N CB 0.326 38.892 38.487 0.132 0.000 1.014 106 N HN -0.077 nan 8.380 nan 0.000 0.491 107 R N 0.680 121.165 120.500 -0.026 0.000 2.590 107 R HA 0.170 4.510 4.340 -0.000 0.000 0.274 107 R C 0.375 176.609 176.300 -0.111 0.000 1.061 107 R CA -0.128 55.933 56.100 -0.065 0.000 1.081 107 R CB 0.603 30.861 30.300 -0.069 0.000 0.984 107 R HN 0.149 nan 8.270 nan 0.000 0.448 108 L N 3.867 125.011 121.223 -0.131 0.000 2.371 108 L HA 0.278 4.618 4.340 -0.000 0.000 0.272 108 L C 1.672 178.400 176.870 -0.235 0.000 1.124 108 L CA 0.045 54.778 54.840 -0.179 0.000 0.816 108 L CB 0.797 42.762 42.059 -0.156 0.000 1.129 108 L HN 0.511 nan 8.230 nan 0.000 0.448 109 R N 1.647 121.908 120.500 -0.399 0.000 2.276 109 R HA 0.200 4.540 4.340 -0.000 0.000 0.195 109 R C -0.742 175.074 176.300 -0.807 0.000 0.908 109 R CA 0.173 55.851 56.100 -0.704 0.000 1.083 109 R CB 0.563 30.159 30.300 -1.172 0.000 1.182 109 R HN 0.402 nan 8.270 nan 0.000 0.608 110 Y N 0.167 120.384 120.300 -0.139 0.000 2.545 110 Y HA 0.435 4.985 4.550 -0.000 0.000 0.348 110 Y C -2.524 173.152 175.900 -0.374 0.000 1.002 110 Y CA -3.769 54.190 58.100 -0.235 0.000 1.039 110 Y CB 0.617 38.968 38.460 -0.181 0.000 1.271 110 Y HN -0.215 nan 8.280 nan 0.000 0.467 111 P HA 0.139 nan 4.420 nan 0.000 0.268 111 P C -0.927 176.235 177.300 -0.230 0.000 1.204 111 P CA 0.130 62.916 63.100 -0.524 0.000 0.768 111 P CB 0.622 31.811 31.700 -0.850 0.000 0.842 112 E N 1.555 121.655 120.200 -0.167 0.000 2.317 112 E HA 0.435 4.784 4.350 -0.000 0.000 0.270 112 E C -1.520 175.185 176.600 0.176 0.000 0.885 112 E CA -0.722 55.648 56.400 -0.050 0.000 0.760 112 E CB 1.897 31.407 29.700 -0.317 0.000 1.227 112 E HN 0.363 nan 8.360 nan 0.000 0.434 113 Y N 1.837 122.221 120.300 0.140 0.000 2.425 113 Y HA 0.411 4.961 4.550 -0.000 0.000 0.344 113 Y C -1.213 174.684 175.900 -0.006 0.000 0.969 113 Y CA -0.916 57.172 58.100 -0.021 0.000 1.052 113 Y CB 1.319 39.658 38.460 -0.202 0.000 1.215 113 Y HN 0.325 nan 8.280 nan 0.000 0.451 114 R N 5.006 124.969 120.500 -0.895 0.000 2.360 114 R HA 0.736 5.076 4.340 -0.000 0.000 0.318 114 R C -1.187 174.244 176.300 -1.447 0.000 0.950 114 R CA -0.290 55.099 56.100 -1.186 0.000 0.837 114 R CB 1.020 30.309 30.300 -1.684 0.000 1.165 114 R HN 0.910 nan 8.270 nan 0.000 0.458 115 A N 5.873 128.042 122.820 -1.084 0.000 2.332 115 A HA 0.476 4.796 4.320 -0.000 0.000 0.258 115 A C -2.207 175.062 177.584 -0.524 0.000 1.087 115 A CA -1.452 50.163 52.037 -0.703 0.000 0.802 115 A CB -0.025 18.831 19.000 -0.241 0.000 1.042 115 A HN 0.529 nan 8.150 nan 0.000 0.489 116 P HA 0.208 nan 4.420 nan 0.000 0.264 116 P C 0.957 178.125 177.300 -0.219 0.000 1.193 116 P CA 2.033 64.997 63.100 -0.226 0.000 0.763 116 P CB 0.506 32.144 31.700 -0.103 0.000 0.810 117 G N 1.889 110.555 108.800 -0.224 0.000 2.189 117 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 117 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 117 G C 0.558 175.327 174.900 -0.219 0.000 0.975 117 G CA 0.419 45.411 45.100 -0.180 0.000 0.644 117 G HN 0.734 nan 8.290 nan 0.000 0.537 118 S N 0.172 115.665 115.700 -0.345 0.000 2.632 118 S HA 0.498 4.968 4.470 -0.000 0.000 0.267 118 S C 0.875 175.239 174.600 -0.394 0.000 1.276 118 S CA 0.470 58.453 58.200 -0.362 0.000 0.998 118 S CB 0.969 63.901 63.200 -0.447 0.000 0.953 118 S HN 0.544 nan 8.310 nan 0.000 0.547 119 D N 0.884 121.140 120.400 -0.240 0.000 2.538 119 D HA 0.224 4.864 4.640 -0.000 0.000 0.231 119 D C -0.230 176.066 176.300 -0.007 0.000 1.229 119 D CA -0.375 53.601 54.000 -0.040 0.000 0.828 119 D CB -0.281 40.515 40.800 -0.007 0.000 1.035 119 D HN 0.617 nan 8.370 nan 0.000 0.495 120 K N -1.698 118.550 120.400 -0.253 0.000 2.556 120 K HA 0.531 4.850 4.320 -0.000 0.000 0.274 120 K C -1.431 174.995 176.600 -0.291 0.000 0.966 120 K CA -1.036 55.167 56.287 -0.140 0.000 0.865 120 K CB 0.895 33.376 32.500 -0.033 0.000 1.444 120 K HN -0.098 nan 8.250 nan 0.000 0.433 121 W N 0.977 122.288 121.300 0.018 0.000 2.375 121 W HA 0.326 4.986 4.660 -0.000 0.000 0.336 121 W C -0.124 176.381 176.519 -0.024 0.000 1.160 121 W CA -0.059 57.273 57.345 -0.022 0.000 1.266 121 W CB 1.624 31.130 29.460 0.077 0.000 1.195 121 W HN 0.602 nan 8.180 nan 0.000 0.599 122 Q N 3.017 122.984 119.800 0.278 0.000 2.304 122 Q HA 0.302 4.642 4.340 -0.000 0.000 0.270 122 Q C -0.766 175.320 176.000 0.142 0.000 1.035 122 Q CA -0.879 55.022 55.803 0.163 0.000 0.781 122 Q CB 1.371 30.190 28.738 0.134 0.000 1.261 122 Q HN 0.466 nan 8.270 nan 0.000 0.444 123 R N 4.544 125.081 120.500 0.061 0.000 2.491 123 R HA 0.501 4.841 4.340 -0.000 0.000 0.283 123 R C -0.359 175.915 176.300 -0.044 0.000 1.072 123 R CA 0.012 56.105 56.100 -0.011 0.000 1.048 123 R CB 0.189 30.436 30.300 -0.089 0.000 0.983 123 R HN 0.815 nan 8.270 nan 0.000 0.450 124 I N -0.132 120.391 120.570 -0.078 0.000 3.145 124 I HA 0.507 4.677 4.170 -0.000 0.000 0.313 124 I C -0.355 175.660 176.117 -0.170 0.000 1.122 124 I CA -1.228 60.010 61.300 -0.103 0.000 0.987 124 I CB 2.201 40.151 38.000 -0.083 0.000 1.236 124 I HN 0.679 nan 8.210 nan 0.000 0.453 125 S N 0.810 116.427 115.700 -0.139 0.000 2.632 125 S HA 0.278 4.748 4.470 -0.000 0.000 0.267 125 S C 0.272 174.748 174.600 -0.207 0.000 1.276 125 S CA -0.441 57.679 58.200 -0.134 0.000 0.998 125 S CB 0.816 63.997 63.200 -0.032 0.000 0.953 125 S HN 0.868 nan 8.310 nan 0.000 0.547 126 W N 0.453 121.640 121.300 -0.187 0.000 2.358 126 W HA -0.015 4.645 4.660 -0.000 0.000 0.303 126 W C 2.517 178.675 176.519 -0.602 0.000 1.208 126 W CA 0.895 57.955 57.345 -0.474 0.000 1.274 126 W CB -0.122 29.122 29.460 -0.359 0.000 1.138 126 W HN 0.706 nan 8.180 nan 0.000 0.515 127 E N 0.433 120.658 120.200 0.043 0.000 2.110 127 E HA -0.186 4.163 4.350 -0.000 0.000 0.193 127 E C 1.754 178.358 176.600 0.008 0.000 0.988 127 E CA 1.374 57.847 56.400 0.122 0.000 0.804 127 E CB -0.426 29.397 29.700 0.206 0.000 0.745 127 E HN 0.524 nan 8.360 nan 0.000 0.458 128 E N 0.591 120.767 120.200 -0.039 0.000 2.072 128 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 128 E C 2.067 178.626 176.600 -0.068 0.000 0.985 128 E CA 0.933 57.305 56.400 -0.047 0.000 0.801 128 E CB -0.087 29.575 29.700 -0.064 0.000 0.750 128 E HN 0.183 nan 8.360 nan 0.000 0.452 129 A N 1.138 123.879 122.820 -0.132 0.000 1.877 129 A HA -0.183 4.136 4.320 -0.000 0.000 0.216 129 A C 1.900 179.412 177.584 -0.121 0.000 1.186 129 A CA 1.291 53.265 52.037 -0.105 0.000 0.620 129 A CB -0.746 18.138 19.000 -0.193 0.000 0.822 129 A HN 0.141 nan 8.150 nan 0.000 0.443 130 F N 1.405 121.297 119.950 -0.097 0.000 2.102 130 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 130 F C 3.050 178.622 175.800 -0.381 0.000 1.105 130 F CA 1.278 59.110 58.000 -0.280 0.000 1.239 130 F CB -1.184 37.482 39.000 -0.558 0.000 0.991 130 F HN 0.377 nan 8.300 nan 0.000 0.474 131 S N 0.388 115.988 115.700 -0.166 0.000 2.368 131 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 131 S C 2.101 176.693 174.600 -0.013 0.000 1.030 131 S CA 0.949 59.150 58.200 0.001 0.000 0.999 131 S CB -0.660 62.601 63.200 0.101 0.000 0.844 131 S HN 0.355 nan 8.310 nan 0.000 0.459 132 R N 0.779 121.246 120.500 -0.055 0.000 2.081 132 R HA 0.125 4.465 4.340 -0.000 0.000 0.235 132 R C 2.391 178.573 176.300 -0.196 0.000 1.131 132 R CA 1.703 57.766 56.100 -0.062 0.000 0.960 132 R CB -0.613 29.725 30.300 0.065 0.000 0.856 132 R HN 0.460 nan 8.270 nan 0.000 0.436 133 I N 0.531 120.877 120.570 -0.373 0.000 2.202 133 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 133 I C 2.616 178.657 176.117 -0.126 0.000 1.091 133 I CA 1.203 62.259 61.300 -0.408 0.000 1.368 133 I CB -0.401 37.392 38.000 -0.346 0.000 1.058 133 I HN 0.189 nan 8.210 nan 0.000 0.410 134 A N 0.678 123.491 122.820 -0.011 0.000 1.933 134 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 134 A C 2.392 179.973 177.584 -0.005 0.000 1.175 134 A CA 1.960 54.029 52.037 0.054 0.000 0.628 134 A CB -0.537 18.529 19.000 0.110 0.000 0.814 134 A HN 0.373 nan 8.150 nan 0.000 0.444 135 K N -0.401 119.978 120.400 -0.035 0.000 2.057 135 K HA -0.057 4.262 4.320 -0.000 0.000 0.207 135 K C 1.895 178.453 176.600 -0.071 0.000 1.049 135 K CA 1.329 57.585 56.287 -0.051 0.000 0.931 135 K CB -0.293 32.186 32.500 -0.034 0.000 0.714 135 K HN 0.455 nan 8.250 nan 0.000 0.440 136 L N 0.543 121.684 121.223 -0.137 0.000 2.046 136 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 136 L C 2.635 179.415 176.870 -0.149 0.000 1.077 136 L CA 1.313 56.011 54.840 -0.238 0.000 0.747 136 L CB -0.240 41.466 42.059 -0.588 0.000 0.896 136 L HN 0.291 nan 8.230 nan 0.000 0.432 137 M N -0.714 118.852 119.600 -0.058 0.000 2.086 137 M HA -0.249 4.231 4.480 -0.000 0.000 0.261 137 M C 2.386 178.790 176.300 0.173 0.000 1.067 137 M CA 1.722 57.196 55.300 0.289 0.000 1.116 137 M CB -0.353 32.488 32.600 0.401 0.000 1.348 137 M HN 0.093 nan 8.290 nan 0.000 0.407 138 K N 0.550 120.963 120.400 0.022 0.000 2.057 138 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 138 K C 1.952 178.500 176.600 -0.086 0.000 1.049 138 K CA 1.454 57.679 56.287 -0.103 0.000 0.931 138 K CB -0.087 32.259 32.500 -0.256 0.000 0.714 138 K HN 0.278 nan 8.250 nan 0.000 0.440 139 A N 1.058 123.863 122.820 -0.026 0.000 1.902 139 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 139 A C 1.840 179.479 177.584 0.092 0.000 1.181 139 A CA 2.142 54.186 52.037 0.011 0.000 0.623 139 A CB -0.723 18.293 19.000 0.027 0.000 0.818 139 A HN 0.544 nan 8.150 nan 0.000 0.443 140 D N -1.091 119.434 120.400 0.208 0.000 2.117 140 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 140 D C 2.143 178.643 176.300 0.333 0.000 0.982 140 D CA 1.286 55.507 54.000 0.368 0.000 0.828 140 D CB -0.112 41.072 40.800 0.639 0.000 0.967 140 D HN 0.414 nan 8.370 nan 0.000 0.464 141 R N -0.018 120.506 120.500 0.039 0.000 2.075 141 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 141 R C 1.350 177.540 176.300 -0.183 0.000 1.126 141 R CA 1.601 57.365 56.100 -0.561 0.000 0.963 141 R CB -0.037 29.580 30.300 -1.138 0.000 0.858 141 R HN 0.132 nan 8.270 nan 0.000 0.435 142 D N 0.041 120.390 120.400 -0.085 0.000 2.178 142 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 142 D C 1.553 177.877 176.300 0.040 0.000 0.980 142 D CA 1.408 55.388 54.000 -0.032 0.000 0.842 142 D CB -0.053 40.706 40.800 -0.068 0.000 0.948 142 D HN 0.398 nan 8.370 nan 0.000 0.472 143 A N 0.529 123.395 122.820 0.077 0.000 1.930 143 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 143 A C 1.749 179.420 177.584 0.144 0.000 1.176 143 A CA 0.896 52.996 52.037 0.105 0.000 0.632 143 A CB 0.039 19.110 19.000 0.117 0.000 0.819 143 A HN 0.103 nan 8.150 nan 0.000 0.445 144 N N -1.772 117.052 118.700 0.207 0.000 2.184 144 N HA 0.140 4.879 4.740 -0.000 0.000 0.206 144 N C -0.315 175.364 175.510 0.281 0.000 1.151 144 N CA -0.297 52.903 53.050 0.251 0.000 0.878 144 N CB 0.266 38.947 38.487 0.323 0.000 1.014 144 N HN 0.407 nan 8.380 nan 0.000 0.512 145 F N 2.007 121.994 119.950 0.061 0.000 2.607 145 F HA 0.109 4.636 4.527 -0.000 0.000 0.374 145 F C 0.312 176.152 175.800 0.066 0.000 1.104 145 F CA 0.068 58.085 58.000 0.029 0.000 1.296 145 F CB 0.428 39.359 39.000 -0.116 0.000 1.085 145 F HN -0.126 nan 8.300 nan 0.000 0.584 146 I N 6.848 127.130 120.570 -0.479 0.000 2.330 146 I HA 0.124 4.294 4.170 -0.000 0.000 0.286 146 I C 0.870 176.733 176.117 -0.424 0.000 1.025 146 I CA -0.065 61.061 61.300 -0.290 0.000 1.197 146 I CB 1.364 39.259 38.000 -0.176 0.000 1.358 146 I HN 0.752 nan 8.210 nan 0.000 0.467 147 E N 6.082 126.226 120.200 -0.094 0.000 2.051 147 E HA 0.018 4.367 4.350 -0.000 0.000 0.189 147 E C 0.131 176.731 176.600 0.000 0.000 0.979 147 E CA 1.043 57.468 56.400 0.041 0.000 0.803 147 E CB 0.528 30.338 29.700 0.183 0.000 0.761 147 E HN 0.490 nan 8.360 nan 0.000 0.451 148 K N 1.108 121.510 120.400 0.002 0.000 2.375 148 K HA 0.198 4.518 4.320 -0.000 0.000 0.249 148 K C -0.664 175.933 176.600 -0.005 0.000 0.942 148 K CA -0.947 55.342 56.287 0.003 0.000 0.806 148 K CB 1.507 34.019 32.500 0.019 0.000 1.227 148 K HN 0.093 nan 8.250 nan 0.000 0.430 149 N N 0.156 118.853 118.700 -0.005 0.000 2.418 149 N HA 0.038 4.778 4.740 -0.000 0.000 0.283 149 N C 0.307 175.821 175.510 0.007 0.000 1.267 149 N CA -0.265 52.786 53.050 0.002 0.000 0.975 149 N CB 0.332 38.819 38.487 0.000 0.000 1.167 149 N HN 0.558 nan 8.380 nan 0.000 0.581 150 E N -1.316 118.891 120.200 0.011 0.000 2.333 150 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 150 E C 0.394 176.998 176.600 0.006 0.000 1.007 150 E CA 0.932 57.338 56.400 0.011 0.000 0.845 150 E CB -0.087 29.621 29.700 0.014 0.000 0.766 150 E HN 0.519 nan 8.360 nan 0.000 0.507 151 Q N -0.879 118.923 119.800 0.002 0.000 2.246 151 Q HA 0.170 4.510 4.340 -0.000 0.000 0.202 151 Q C 0.870 176.870 176.000 -0.000 0.000 0.883 151 Q CA 0.534 56.336 55.803 -0.001 0.000 0.952 151 Q CB 1.039 29.773 28.738 -0.006 0.000 1.078 151 Q HN 0.336 nan 8.270 nan 0.000 0.493 152 G N -0.833 107.969 108.800 0.003 0.000 2.159 152 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.256 152 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.256 152 G C 0.032 174.935 174.900 0.005 0.000 0.977 152 G CA 0.186 45.289 45.100 0.005 0.000 0.652 152 G HN 0.236 nan 8.290 nan 0.000 0.531 153 V N 1.457 121.371 119.914 0.001 0.000 2.546 153 V HA 0.488 4.608 4.120 -0.000 0.000 0.284 153 V C 1.118 177.212 176.094 0.000 0.000 1.050 153 V CA 0.124 62.424 62.300 0.001 0.000 0.981 153 V CB 1.521 33.339 31.823 -0.008 0.000 0.990 153 V HN 0.280 nan 8.190 nan 0.000 0.474 154 T N 4.275 118.833 114.554 0.007 0.000 2.799 154 T HA 0.227 4.577 4.350 -0.000 0.000 0.296 154 T C 0.888 175.579 174.700 -0.015 0.000 0.947 154 T CA 0.107 62.213 62.100 0.010 0.000 1.141 154 T CB 0.891 69.773 68.868 0.024 0.000 0.891 154 T HN 0.760 nan 8.240 nan 0.000 0.533 155 V N 0.502 120.401 119.914 -0.025 0.000 3.562 155 V HA 0.284 4.403 4.120 -0.000 0.000 0.270 155 V C 0.556 176.617 176.094 -0.055 0.000 1.418 155 V CA -0.566 61.706 62.300 -0.047 0.000 1.033 155 V CB -0.534 31.261 31.823 -0.047 0.000 0.820 155 V HN 0.840 nan 8.190 nan 0.000 0.441 156 N N 3.248 121.905 118.700 -0.071 0.000 2.696 156 N HA -0.209 4.531 4.740 -0.000 0.000 0.271 156 N C 0.135 175.498 175.510 -0.246 0.000 0.997 156 N CA 1.584 54.579 53.050 -0.093 0.000 0.801 156 N CB -0.613 38.041 38.487 0.277 0.000 0.913 156 N HN 0.954 nan 8.380 nan 0.000 0.557 157 R N -1.031 119.154 120.500 -0.527 0.000 2.740 157 R HA 0.627 4.967 4.340 -0.000 0.000 0.282 157 R C -1.142 174.997 176.300 -0.268 0.000 0.969 157 R CA -0.962 54.991 56.100 -0.245 0.000 0.918 157 R CB 1.471 31.730 30.300 -0.069 0.000 1.175 157 R HN 0.116 nan 8.270 nan 0.000 0.464 158 W N 5.088 126.298 121.300 -0.150 0.000 2.475 158 W HA 0.407 5.067 4.660 -0.000 0.000 0.320 158 W C -0.953 175.550 176.519 -0.027 0.000 1.022 158 W CA -1.582 55.762 57.345 -0.002 0.000 1.240 158 W CB 1.018 30.608 29.460 0.218 0.000 1.328 158 W HN 0.718 nan 8.180 nan 0.000 0.439 159 L N 4.415 125.656 121.223 0.030 0.000 2.731 159 L HA 0.033 4.373 4.340 -0.000 0.000 0.240 159 L C 2.013 178.833 176.870 -0.084 0.000 1.120 159 L CA 0.580 55.331 54.840 -0.148 0.000 0.913 159 L CB -0.015 41.941 42.059 -0.171 0.000 1.213 159 L HN 0.521 nan 8.230 nan 0.000 0.515 160 S N -2.014 113.618 115.700 -0.114 0.000 2.603 160 S HA 0.092 4.562 4.470 -0.000 0.000 0.220 160 S C 0.730 175.232 174.600 -0.163 0.000 0.967 160 S CA -0.083 58.087 58.200 -0.050 0.000 0.920 160 S CB -0.113 63.175 63.200 0.146 0.000 0.773 160 S HN 0.192 nan 8.310 nan 0.000 0.529 161 T N 0.960 115.206 114.554 -0.515 0.000 2.916 161 T HA 0.705 5.055 4.350 -0.000 0.000 0.298 161 T C -0.076 174.441 174.700 -0.305 0.000 1.031 161 T CA -0.460 61.388 62.100 -0.420 0.000 0.993 161 T CB 1.749 70.199 68.868 -0.696 0.000 1.045 161 T HN 0.399 nan 8.240 nan 0.000 0.454 162 G N 1.692 110.554 108.800 0.103 0.000 2.816 162 G HA2 0.848 4.808 3.960 -0.000 0.000 0.288 162 G HA3 0.848 4.808 3.960 -0.000 0.000 0.288 162 G C -1.459 173.446 174.900 0.008 0.000 1.334 162 G CA -0.856 44.257 45.100 0.022 0.000 0.978 162 G HN 0.612 nan 8.290 nan 0.000 0.493 163 M N 0.061 119.570 119.600 -0.152 0.000 2.484 163 M HA 0.430 4.910 4.480 -0.000 0.000 0.289 163 M C -1.396 174.755 176.300 -0.249 0.000 1.206 163 M CA -0.451 54.711 55.300 -0.229 0.000 0.892 163 M CB 2.915 35.453 32.600 -0.103 0.000 1.712 163 M HN 0.155 nan 8.290 nan 0.000 0.462 164 L N 1.625 122.672 121.223 -0.293 0.000 2.322 164 L HA 0.623 4.963 4.340 -0.000 0.000 0.281 164 L C -1.029 175.876 176.870 0.059 0.000 1.014 164 L CA -0.735 54.005 54.840 -0.165 0.000 0.815 164 L CB 1.923 43.688 42.059 -0.490 0.000 1.247 164 L HN 0.786 nan 8.230 nan 0.000 0.421 165 C N 1.841 121.261 119.300 0.200 0.000 2.397 165 C HA 0.674 5.133 4.460 -0.000 0.000 0.343 165 C C 0.834 175.933 174.990 0.182 0.000 1.188 165 C CA -0.932 58.179 59.018 0.156 0.000 1.992 165 C CB 1.271 29.074 27.740 0.105 0.000 2.358 165 C HN 0.848 nan 8.230 nan 0.000 0.518 166 A N 1.922 124.788 122.820 0.076 0.000 2.539 166 A HA 0.358 4.677 4.320 -0.000 0.000 0.306 166 A C 1.081 178.639 177.584 -0.043 0.000 1.392 166 A CA 0.071 52.107 52.037 -0.002 0.000 1.060 166 A CB -0.090 18.904 19.000 -0.009 0.000 1.134 166 A HN 0.924 nan 8.150 nan 0.000 0.542 167 S N 2.020 117.631 115.700 -0.149 0.000 2.603 167 S HA -0.007 4.463 4.470 -0.000 0.000 0.229 167 S C 1.695 176.251 174.600 -0.073 0.000 0.972 167 S CA 1.090 59.226 58.200 -0.106 0.000 0.935 167 S CB 0.192 63.315 63.200 -0.128 0.000 0.769 167 S HN 0.935 nan 8.310 nan 0.000 0.536 168 G N 0.177 108.911 108.800 -0.110 0.000 3.126 168 G HA2 0.551 4.511 3.960 -0.000 0.000 0.224 168 G HA3 0.551 4.511 3.960 -0.000 0.000 0.224 168 G C 0.190 175.148 174.900 0.096 0.000 1.142 168 G CA 0.275 45.431 45.100 0.094 0.000 0.759 168 G HN 0.513 nan 8.290 nan 0.000 0.550 169 A N 0.386 123.237 122.820 0.051 0.000 2.288 169 A HA 0.765 5.085 4.320 -0.000 0.000 0.328 169 A C 0.754 178.379 177.584 0.070 0.000 1.123 169 A CA 0.087 52.158 52.037 0.057 0.000 0.861 169 A CB 0.839 19.853 19.000 0.025 0.000 1.272 169 A HN 0.703 nan 8.150 nan 0.000 0.490 170 S N 0.357 116.093 115.700 0.060 0.000 2.596 170 S HA 0.032 4.502 4.470 -0.000 0.000 0.260 170 S C 0.652 175.274 174.600 0.037 0.000 1.336 170 S CA 0.032 58.258 58.200 0.044 0.000 0.993 170 S CB 0.229 63.408 63.200 -0.036 0.000 0.923 170 S HN 0.627 nan 8.310 nan 0.000 0.567 171 N N 1.204 119.934 118.700 0.050 0.000 2.244 171 N HA -0.058 4.682 4.740 -0.000 0.000 0.183 171 N C 1.486 177.028 175.510 0.055 0.000 1.016 171 N CA 1.300 54.411 53.050 0.101 0.000 0.866 171 N CB -0.576 38.021 38.487 0.184 0.000 0.980 171 N HN 0.703 nan 8.380 nan 0.000 0.430 172 E N -0.490 119.707 120.200 -0.005 0.000 2.107 172 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 172 E C 1.872 178.424 176.600 -0.080 0.000 0.982 172 E CA 0.977 57.350 56.400 -0.045 0.000 0.809 172 E CB -0.467 29.183 29.700 -0.083 0.000 0.756 172 E HN 0.224 nan 8.360 nan 0.000 0.459 173 T N -0.158 114.357 114.554 -0.064 0.000 2.821 173 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 173 T C 1.887 176.561 174.700 -0.042 0.000 1.046 173 T CA 1.256 63.316 62.100 -0.065 0.000 1.139 173 T CB -0.609 68.235 68.868 -0.040 0.000 0.871 173 T HN 0.398 nan 8.240 nan 0.000 0.454 174 G N 1.387 110.184 108.800 -0.006 0.000 2.446 174 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 174 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 174 G C 1.551 176.458 174.900 0.012 0.000 1.168 174 G CA 1.298 46.408 45.100 0.016 0.000 0.771 174 G HN 0.374 nan 8.290 nan 0.000 0.551 175 M N 0.458 120.063 119.600 0.008 0.000 2.175 175 M HA 0.184 4.663 4.480 -0.000 0.000 0.264 175 M C 2.313 178.605 176.300 -0.013 0.000 1.063 175 M CA 1.109 56.421 55.300 0.019 0.000 1.119 175 M CB -0.537 32.079 32.600 0.026 0.000 1.377 175 M HN 0.175 nan 8.290 nan 0.000 0.415 176 L N -1.141 120.032 121.223 -0.083 0.000 2.083 176 L HA -0.195 4.144 4.340 -0.000 0.000 0.209 176 L C 2.093 178.969 176.870 0.010 0.000 1.083 176 L CA 1.560 56.330 54.840 -0.118 0.000 0.752 176 L CB -1.218 40.719 42.059 -0.202 0.000 0.899 176 L HN 0.304 nan 8.230 nan 0.000 0.433 177 T N -1.346 113.196 114.554 -0.020 0.000 2.777 177 T HA -0.236 4.114 4.350 -0.000 0.000 0.266 177 T C 1.791 176.527 174.700 0.060 0.000 1.040 177 T CA 1.300 63.388 62.100 -0.020 0.000 1.141 177 T CB -0.103 68.737 68.868 -0.046 0.000 0.868 177 T HN 0.202 nan 8.240 nan 0.000 0.444 178 Q N 1.527 121.356 119.800 0.049 0.000 2.050 178 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 178 Q C 2.081 178.089 176.000 0.014 0.000 0.980 178 Q CA 1.734 57.576 55.803 0.064 0.000 0.840 178 Q CB -0.166 28.631 28.738 0.098 0.000 0.898 178 Q HN 0.426 nan 8.270 nan 0.000 0.424 179 K N -0.799 119.585 120.400 -0.028 0.000 2.057 179 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 179 K C 1.981 178.537 176.600 -0.072 0.000 1.049 179 K CA 1.279 57.471 56.287 -0.157 0.000 0.931 179 K CB -0.382 32.068 32.500 -0.083 0.000 0.714 179 K HN 0.215 nan 8.250 nan 0.000 0.440 180 F N 1.780 121.620 119.950 -0.182 0.000 2.051 180 F HA -0.246 4.281 4.527 -0.000 0.000 0.296 180 F C 2.259 177.999 175.800 -0.099 0.000 1.122 180 F CA 1.688 59.514 58.000 -0.290 0.000 1.201 180 F CB -0.454 38.382 39.000 -0.274 0.000 0.978 180 F HN -0.016 nan 8.300 nan 0.000 0.472 181 A N 0.855 123.797 122.820 0.203 0.000 1.858 181 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 181 A C 2.249 179.870 177.584 0.061 0.000 1.190 181 A CA 1.698 53.803 52.037 0.114 0.000 0.617 181 A CB -0.634 18.438 19.000 0.120 0.000 0.827 181 A HN 0.384 nan 8.150 nan 0.000 0.443 182 R N 0.566 121.091 120.500 0.042 0.000 2.115 182 R HA -0.066 4.274 4.340 -0.000 0.000 0.226 182 R C 2.447 178.782 176.300 0.057 0.000 1.100 182 R CA 1.554 57.691 56.100 0.062 0.000 0.980 182 R CB -1.446 28.882 30.300 0.047 0.000 0.875 182 R HN 0.730 nan 8.270 nan 0.000 0.445 183 S N 0.560 116.251 115.700 -0.014 0.000 2.447 183 S HA -0.024 4.446 4.470 -0.000 0.000 0.233 183 S C 1.933 176.528 174.600 -0.009 0.000 1.006 183 S CA 0.709 58.913 58.200 0.005 0.000 0.957 183 S CB -0.304 62.909 63.200 0.021 0.000 0.773 183 S HN 0.228 nan 8.310 nan 0.000 0.507 184 L N 0.788 122.018 121.223 0.011 0.000 2.567 184 L HA 0.331 4.670 4.340 -0.000 0.000 0.225 184 L C 1.819 178.871 176.870 0.304 0.000 1.119 184 L CA 0.402 55.270 54.840 0.046 0.000 0.871 184 L CB -0.329 41.779 42.059 0.082 0.000 1.036 184 L HN 0.594 nan 8.230 nan 0.000 0.459 185 G N -0.027 108.945 108.800 0.286 0.000 2.141 185 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.242 185 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.242 185 G C 0.312 175.391 174.900 0.297 0.000 0.982 185 G CA -0.210 45.100 45.100 0.351 0.000 0.662 185 G HN 0.215 nan 8.290 nan 0.000 0.527 186 M N 0.003 119.752 119.600 0.247 0.000 2.239 186 M HA 0.411 4.891 4.480 -0.000 0.000 0.348 186 M C 1.527 177.857 176.300 0.050 0.000 1.239 186 M CA 0.439 55.799 55.300 0.100 0.000 1.114 186 M CB 0.723 33.338 32.600 0.025 0.000 1.641 186 M HN 0.112 nan 8.290 nan 0.000 0.453 187 L N 1.831 123.030 121.223 -0.040 0.000 2.717 187 L HA 0.309 4.648 4.340 -0.000 0.000 0.239 187 L C 0.942 177.783 176.870 -0.047 0.000 1.086 187 L CA -0.092 54.756 54.840 0.013 0.000 0.897 187 L CB 0.418 42.519 42.059 0.069 0.000 1.214 187 L HN 0.784 nan 8.230 nan 0.000 0.508 188 A N 1.368 124.035 122.820 -0.255 0.000 3.004 188 A HA 0.520 4.840 4.320 -0.000 0.000 0.286 188 A C -0.460 176.989 177.584 -0.225 0.000 1.632 188 A CA 0.002 51.805 52.037 -0.390 0.000 1.339 188 A CB -0.438 17.837 19.000 -1.208 0.000 1.136 188 A HN 0.018 nan 8.150 nan 0.000 0.577 189 V N 2.867 122.740 119.914 -0.069 0.000 2.447 189 V HA 0.417 4.537 4.120 -0.000 0.000 0.292 189 V C -1.131 174.990 176.094 0.046 0.000 1.021 189 V CA -0.652 61.641 62.300 -0.012 0.000 0.850 189 V CB 1.572 33.405 31.823 0.018 0.000 1.005 189 V HN 0.719 nan 8.190 nan 0.000 0.426 190 D N 2.849 123.295 120.400 0.077 0.000 2.581 190 D HA 0.494 5.134 4.640 -0.000 0.000 0.232 190 D C -0.771 175.671 176.300 0.237 0.000 1.143 190 D CA -0.364 53.726 54.000 0.150 0.000 0.881 190 D CB 2.616 43.520 40.800 0.173 0.000 1.500 190 D HN 0.621 nan 8.370 nan 0.000 0.458 191 N N -0.188 118.691 118.700 0.298 0.000 3.002 191 N HA 0.117 4.857 4.740 -0.000 0.000 0.331 191 N C 0.411 176.213 175.510 0.487 0.000 1.384 191 N CA -0.367 52.916 53.050 0.389 0.000 0.780 191 N CB 0.937 39.555 38.487 0.218 0.000 1.492 191 N HN 0.017 nan 8.380 nan 0.000 0.608 192 Q N -0.048 119.907 119.800 0.259 0.000 2.368 192 Q HA 0.012 4.352 4.340 -0.000 0.000 0.210 192 Q C 1.944 178.094 176.000 0.250 0.000 0.982 192 Q CA 1.970 57.859 55.803 0.143 0.000 0.884 192 Q CB -0.609 28.098 28.738 -0.052 0.000 0.933 192 Q HN 0.721 nan 8.270 nan 0.000 0.460 193 A N 0.735 123.707 122.820 0.254 0.000 1.948 193 A HA -0.296 4.023 4.320 -0.000 0.000 0.220 193 A C 2.032 179.756 177.584 0.233 0.000 1.177 193 A CA 1.853 54.042 52.037 0.254 0.000 0.636 193 A CB -0.483 18.663 19.000 0.242 0.000 0.815 193 A HN 0.246 nan 8.150 nan 0.000 0.449 194 R N 0.088 120.727 120.500 0.232 0.000 2.105 194 R HA -0.087 4.253 4.340 -0.000 0.000 0.239 194 R C 1.003 177.398 176.300 0.158 0.000 1.135 194 R CA 1.750 57.957 56.100 0.178 0.000 0.967 194 R CB -0.936 29.465 30.300 0.169 0.000 0.861 194 R HN 0.572 nan 8.270 nan 0.000 0.442 198 G N 1.638 110.597 108.800 0.265 0.000 2.469 198 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 198 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 198 G C -0.836 174.182 174.900 0.196 0.000 1.150 198 G CA 0.989 46.218 45.100 0.214 0.000 0.763 198 G HN 0.260 nan 8.290 nan 0.000 0.561 199 P HA 0.003 nan 4.420 nan 0.000 0.220 199 P C 1.948 179.367 177.300 0.198 0.000 1.148 199 P CA 1.302 64.499 63.100 0.162 0.000 0.803 199 P CB -0.037 31.756 31.700 0.157 0.000 0.782 200 T N -1.017 113.724 114.554 0.312 0.000 2.770 200 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 200 T C 1.805 176.654 174.700 0.249 0.000 1.039 200 T CA 1.107 63.430 62.100 0.371 0.000 1.142 200 T CB -0.879 68.343 68.868 0.590 0.000 0.868 200 T HN -0.118 nan 8.240 nan 0.000 0.435 201 V N 1.793 121.852 119.914 0.242 0.000 2.343 201 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 201 V C 2.831 179.009 176.094 0.139 0.000 1.051 201 V CA 1.642 64.062 62.300 0.199 0.000 1.036 201 V CB -1.089 30.876 31.823 0.235 0.000 0.654 201 V HN 0.513 nan 8.190 nan 0.000 0.451 202 A N 0.244 123.137 122.820 0.122 0.000 2.067 202 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 202 A C 2.402 179.998 177.584 0.019 0.000 1.158 202 A CA 2.117 54.194 52.037 0.068 0.000 0.661 202 A CB -0.330 18.708 19.000 0.063 0.000 0.801 202 A HN 0.693 nan 8.150 nan 0.000 0.452 203 S N -1.212 114.498 115.700 0.016 0.000 2.566 203 S HA 0.195 4.665 4.470 -0.000 0.000 0.234 203 S C 1.744 176.266 174.600 -0.131 0.000 1.075 203 S CA 0.468 58.627 58.200 -0.069 0.000 0.926 203 S CB -0.583 62.569 63.200 -0.080 0.000 0.811 203 S HN 0.333 nan 8.310 nan 0.000 0.518 204 L N 1.710 122.901 121.223 -0.054 0.000 2.109 204 L HA 0.086 4.426 4.340 -0.000 0.000 0.207 204 L C 3.148 179.992 176.870 -0.044 0.000 1.086 204 L CA 1.187 55.959 54.840 -0.113 0.000 0.760 204 L CB -0.866 41.275 42.059 0.137 0.000 0.910 204 L HN 0.486 nan 8.230 nan 0.000 0.437 205 A N 0.865 123.718 122.820 0.056 0.000 1.877 205 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 205 A C -0.068 177.543 177.584 0.044 0.000 1.186 205 A CA 1.577 53.680 52.037 0.110 0.000 0.620 205 A CB -1.723 17.353 19.000 0.127 0.000 0.822 205 A HN 0.266 nan 8.150 nan 0.000 0.443 206 P HA -0.053 nan 4.420 nan 0.000 0.218 206 P C 1.312 178.524 177.300 -0.147 0.000 1.149 206 P CA 1.672 64.729 63.100 -0.072 0.000 0.817 206 P CB -0.076 31.561 31.700 -0.105 0.000 0.785 207 T N -1.685 112.698 114.554 -0.284 0.000 2.852 207 T HA 0.021 4.371 4.350 -0.000 0.000 0.256 207 T C 0.925 175.344 174.700 -0.469 0.000 1.038 207 T CA 1.240 63.051 62.100 -0.481 0.000 1.141 207 T CB -0.486 67.879 68.868 -0.838 0.000 0.869 207 T HN -0.007 nan 8.240 nan 0.000 0.439 208 F N -0.015 119.810 119.950 -0.209 0.000 2.712 208 F HA 0.516 5.043 4.527 -0.000 0.000 0.297 208 F C 2.035 177.809 175.800 -0.044 0.000 1.114 208 F CA -0.205 57.572 58.000 -0.373 0.000 1.305 208 F CB -0.177 38.556 39.000 -0.445 0.000 1.086 208 F HN 0.339 nan 8.300 nan 0.000 0.599 209 G N 0.306 109.267 108.800 0.269 0.000 2.316 209 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.203 209 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.203 209 G C 0.432 175.582 174.900 0.418 0.000 0.999 209 G CA -0.514 44.806 45.100 0.366 0.000 0.649 209 G HN 0.288 nan 8.290 nan 0.000 0.489 210 R N -0.607 120.157 120.500 0.439 0.000 2.771 210 R HA 0.575 4.915 4.340 -0.000 0.000 0.274 210 R C 0.913 177.387 176.300 0.289 0.000 0.987 210 R CA -0.417 55.889 56.100 0.344 0.000 0.908 210 R CB 1.673 32.181 30.300 0.347 0.000 1.213 210 R HN 0.262 nan 8.270 nan 0.000 0.468 211 G N 0.189 109.091 108.800 0.169 0.000 3.042 211 G HA2 0.198 4.158 3.960 -0.000 0.000 0.212 211 G HA3 0.198 4.158 3.960 -0.000 0.000 0.212 211 G C 0.392 175.406 174.900 0.189 0.000 1.166 211 G CA 0.136 45.346 45.100 0.183 0.000 0.767 211 G HN 0.611 nan 8.290 nan 0.000 0.546 212 A N 0.168 123.085 122.820 0.163 0.000 2.287 212 A HA 0.660 4.980 4.320 -0.000 0.000 0.273 212 A C 0.431 178.025 177.584 0.017 0.000 1.091 212 A CA -0.564 51.518 52.037 0.075 0.000 0.817 212 A CB 0.394 19.378 19.000 -0.027 0.000 1.069 212 A HN 0.365 nan 8.150 nan 0.000 0.492 213 M N 1.454 121.000 119.600 -0.090 0.000 2.260 213 M HA 0.071 4.551 4.480 -0.000 0.000 0.348 213 M C 1.407 177.616 176.300 -0.151 0.000 1.342 213 M CA 1.001 56.215 55.300 -0.145 0.000 1.040 213 M CB 0.567 32.996 32.600 -0.285 0.000 1.810 213 M HN 0.894 nan 8.290 nan 0.000 0.453 214 T N 1.192 115.698 114.554 -0.081 0.000 2.985 214 T HA 0.105 4.455 4.350 -0.000 0.000 0.266 214 T C 0.623 175.210 174.700 -0.190 0.000 1.076 214 T CA 1.093 63.116 62.100 -0.129 0.000 1.135 214 T CB -0.077 68.805 68.868 0.023 0.000 0.890 214 T HN 0.766 nan 8.240 nan 0.000 0.480 215 N N 0.617 119.209 118.700 -0.181 0.000 3.254 215 N HA 0.553 5.293 4.740 -0.000 0.000 0.344 215 N C -0.686 174.717 175.510 -0.179 0.000 1.417 215 N CA -0.508 52.432 53.050 -0.185 0.000 0.646 215 N CB 0.737 39.084 38.487 -0.233 0.000 1.493 215 N HN 0.764 nan 8.380 nan 0.000 0.547 216 H N -3.791 115.118 119.070 -0.268 0.000 2.990 216 H HA 0.350 4.906 4.556 -0.000 0.000 0.336 216 H C -0.309 174.807 175.328 -0.353 0.000 1.306 216 H CA -1.092 54.734 56.048 -0.370 0.000 1.118 216 H CB 0.266 29.936 29.762 -0.154 0.000 1.856 216 H HN 0.455 nan 8.280 nan 0.000 0.538 217 W N 0.597 121.807 121.300 -0.150 0.000 2.298 217 W HA -0.214 4.445 4.660 -0.000 0.000 0.328 217 W C 2.065 178.408 176.519 -0.292 0.000 1.259 217 W CA 1.797 59.055 57.345 -0.144 0.000 1.251 217 W CB -0.743 28.660 29.460 -0.095 0.000 1.161 217 W HN 0.384 nan 8.180 nan 0.000 0.466 218 V N 0.376 120.112 119.914 -0.297 0.000 2.469 218 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 218 V C 1.644 177.437 176.094 -0.502 0.000 1.064 218 V CA 2.277 64.007 62.300 -0.950 0.000 1.066 218 V CB -1.110 30.208 31.823 -0.842 0.000 0.667 218 V HN 0.185 nan 8.190 nan 0.000 0.461 219 D N 0.078 120.162 120.400 -0.526 0.000 2.265 219 D HA -0.166 4.474 4.640 -0.000 0.000 0.208 219 D C 1.849 178.000 176.300 -0.249 0.000 0.977 219 D CA 0.976 54.680 54.000 -0.494 0.000 0.871 219 D CB -0.218 40.037 40.800 -0.908 0.000 0.925 219 D HN 0.493 nan 8.370 nan 0.000 0.485 220 I N 0.719 121.193 120.570 -0.159 0.000 2.423 220 I HA -0.278 3.892 4.170 -0.000 0.000 0.254 220 I C 2.286 178.413 176.117 0.017 0.000 1.151 220 I CA 1.142 62.421 61.300 -0.035 0.000 1.421 220 I CB -0.398 37.644 38.000 0.069 0.000 1.079 220 I HN 0.192 nan 8.210 nan 0.000 0.431 221 K N 0.591 121.031 120.400 0.067 0.000 2.360 221 K HA -0.144 4.175 4.320 -0.000 0.000 0.201 221 K C 1.174 177.793 176.600 0.031 0.000 1.046 221 K CA 1.361 57.712 56.287 0.108 0.000 0.945 221 K CB -0.307 32.322 32.500 0.215 0.000 0.750 221 K HN 0.341 nan 8.250 nan 0.000 0.464 222 N N 1.054 119.746 118.700 -0.014 0.000 2.398 222 N HA 0.060 4.800 4.740 -0.000 0.000 0.188 222 N C 0.194 175.693 175.510 -0.018 0.000 1.122 222 N CA 0.491 53.530 53.050 -0.018 0.000 0.866 222 N CB 0.365 38.831 38.487 -0.036 0.000 0.970 222 N HN 0.323 nan 8.380 nan 0.000 0.462 223 A N 0.918 123.724 122.820 -0.023 0.000 2.386 223 A HA 0.206 4.526 4.320 -0.000 0.000 0.248 223 A C 1.066 178.634 177.584 -0.026 0.000 1.082 223 A CA -0.167 51.852 52.037 -0.029 0.000 0.789 223 A CB 0.446 19.424 19.000 -0.038 0.000 1.025 223 A HN 0.167 nan 8.150 nan 0.000 0.490 224 N N -0.541 118.140 118.700 -0.030 0.000 2.368 224 N HA 0.129 4.868 4.740 -0.000 0.000 0.178 224 N C -0.691 174.795 175.510 -0.040 0.000 1.076 224 N CA 0.672 53.705 53.050 -0.028 0.000 0.889 224 N CB 0.850 39.324 38.487 -0.022 0.000 1.040 224 N HN 0.346 nan 8.380 nan 0.000 0.463 225 V N 1.591 121.470 119.914 -0.058 0.000 2.668 225 V HA 0.350 4.469 4.120 -0.000 0.000 0.304 225 V C -0.614 175.416 176.094 -0.108 0.000 1.071 225 V CA -0.739 61.512 62.300 -0.082 0.000 0.894 225 V CB 2.790 34.552 31.823 -0.101 0.000 1.008 225 V HN -0.288 nan 8.190 nan 0.000 0.425 226 V N 5.607 125.463 119.914 -0.097 0.000 2.357 226 V HA 0.514 4.634 4.120 -0.000 0.000 0.284 226 V C -0.188 175.834 176.094 -0.120 0.000 1.018 226 V CA -0.413 61.831 62.300 -0.093 0.000 0.841 226 V CB 1.564 33.365 31.823 -0.036 0.000 0.991 226 V HN 0.891 nan 8.190 nan 0.000 0.437 227 M N 6.580 126.047 119.600 -0.221 0.000 2.101 227 M HA 0.535 5.015 4.480 -0.000 0.000 0.340 227 M C -1.037 175.205 176.300 -0.097 0.000 1.057 227 M CA -0.014 55.138 55.300 -0.246 0.000 0.984 227 M CB 1.350 33.562 32.600 -0.648 0.000 1.560 227 M HN 0.370 nan 8.290 nan 0.000 0.435 228 V N 7.230 127.114 119.914 -0.049 0.000 2.275 228 V HA 0.528 4.648 4.120 -0.000 0.000 0.272 228 V C -0.524 175.501 176.094 -0.114 0.000 1.028 228 V CA -0.278 61.995 62.300 -0.045 0.000 0.810 228 V CB 0.810 32.626 31.823 -0.012 0.000 1.043 228 V HN 0.967 nan 8.190 nan 0.000 0.453 229 M N 3.745 123.215 119.600 -0.217 0.000 2.271 229 M HA 0.628 5.107 4.480 -0.000 0.000 0.285 229 M C 0.512 176.246 176.300 -0.944 0.000 1.059 229 M CA 0.262 55.341 55.300 -0.369 0.000 0.940 229 M CB 2.013 34.530 32.600 -0.138 0.000 1.636 229 M HN 0.742 nan 8.290 nan 0.000 0.460 230 G N 2.402 110.726 108.800 -0.793 0.000 2.136 230 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.242 230 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.242 230 G C -0.123 174.555 174.900 -0.370 0.000 0.989 230 G CA 0.098 44.619 45.100 -0.964 0.000 0.682 230 G HN 1.370 nan 8.290 nan 0.000 0.522 231 G N -1.132 107.526 108.800 -0.236 0.000 2.576 231 G HA2 0.575 4.535 3.960 -0.000 0.000 0.290 231 G HA3 0.575 4.535 3.960 -0.000 0.000 0.290 231 G C -1.187 173.666 174.900 -0.077 0.000 1.442 231 G CA 0.152 45.208 45.100 -0.075 0.000 0.792 231 G HN 0.909 nan 8.290 nan 0.000 0.491 232 N N -0.372 118.305 118.700 -0.037 0.000 2.687 232 N HA 0.421 5.161 4.740 -0.000 0.000 0.275 232 N C 1.218 176.662 175.510 -0.110 0.000 1.789 232 N CA 0.398 53.386 53.050 -0.103 0.000 0.806 232 N CB 0.973 39.399 38.487 -0.101 0.000 1.256 232 N HN 0.706 nan 8.380 nan 0.000 0.500 233 A N 0.917 123.682 122.820 -0.092 0.000 1.997 233 A HA -0.135 4.185 4.320 -0.000 0.000 0.221 233 A C 2.099 179.477 177.584 -0.344 0.000 1.172 233 A CA 2.049 54.061 52.037 -0.042 0.000 0.645 233 A CB -0.629 18.435 19.000 0.107 0.000 0.813 233 A HN 0.552 nan 8.150 nan 0.000 0.454 234 A N -1.008 121.331 122.820 -0.801 0.000 2.121 234 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 234 A C 1.848 179.228 177.584 -0.340 0.000 1.154 234 A CA 1.472 53.019 52.037 -0.818 0.000 0.679 234 A CB -0.249 18.211 19.000 -0.900 0.000 0.795 234 A HN 0.680 nan 8.150 nan 0.000 0.458 235 E N -1.389 118.660 120.200 -0.252 0.000 2.330 235 E HA 0.217 4.567 4.350 -0.000 0.000 0.200 235 E C 1.884 178.382 176.600 -0.170 0.000 0.922 235 E CA 0.582 56.881 56.400 -0.169 0.000 0.935 235 E CB 0.129 29.760 29.700 -0.114 0.000 0.917 235 E HN 0.502 nan 8.360 nan 0.000 0.491 236 A N 0.662 123.384 122.820 -0.164 0.000 2.147 236 A HA 0.042 4.362 4.320 -0.000 0.000 0.211 236 A C 0.329 177.539 177.584 -0.624 0.000 1.160 236 A CA 0.560 52.416 52.037 -0.302 0.000 0.781 236 A CB -0.076 18.811 19.000 -0.187 0.000 0.842 236 A HN 0.148 nan 8.150 nan 0.000 0.475 237 H N -1.595 117.444 119.070 -0.051 0.000 2.947 237 H HA 0.181 4.737 4.556 -0.000 0.000 0.222 237 H C -2.167 173.101 175.328 -0.100 0.000 1.414 237 H CA -1.002 55.002 56.048 -0.073 0.000 1.224 237 H CB 0.489 30.309 29.762 0.097 0.000 2.100 237 H HN 0.198 nan 8.280 nan 0.000 0.524 238 P HA -0.217 nan 4.420 nan 0.000 0.216 238 P C 1.524 178.803 177.300 -0.036 0.000 1.157 238 P CA 1.149 64.225 63.100 -0.040 0.000 0.880 238 P CB 0.496 32.132 31.700 -0.105 0.000 0.791 239 V N 0.101 119.924 119.914 -0.152 0.000 2.515 239 V HA -0.099 4.021 4.120 -0.000 0.000 0.250 239 V C 2.851 178.811 176.094 -0.223 0.000 1.058 239 V CA 2.250 64.432 62.300 -0.198 0.000 1.064 239 V CB -1.861 29.825 31.823 -0.228 0.000 0.675 239 V HN 0.197 nan 8.190 nan 0.000 0.461 240 G N -0.995 107.615 108.800 -0.316 0.000 2.422 240 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 240 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 240 G C 1.466 176.476 174.900 0.184 0.000 1.140 240 G CA 0.517 45.453 45.100 -0.272 0.000 0.775 240 G HN 0.494 nan 8.290 nan 0.000 0.545 241 F N 1.645 121.586 119.950 -0.014 0.000 2.494 241 F HA 0.083 4.610 4.527 -0.000 0.000 0.298 241 F C 2.438 178.182 175.800 -0.094 0.000 1.106 241 F CA 0.778 58.792 58.000 0.023 0.000 1.452 241 F CB -0.009 38.989 39.000 -0.004 0.000 1.085 241 F HN 0.075 nan 8.300 nan 0.000 0.569 242 R N -0.362 119.950 120.500 -0.313 0.000 2.105 242 R HA -0.232 4.108 4.340 -0.000 0.000 0.239 242 R C 1.893 177.776 176.300 -0.695 0.000 1.135 242 R CA 2.269 58.010 56.100 -0.599 0.000 0.967 242 R CB -0.878 28.923 30.300 -0.833 0.000 0.861 242 R HN 0.478 nan 8.270 nan 0.000 0.442 243 W N -0.016 121.202 121.300 -0.137 0.000 2.519 243 W HA 0.037 4.697 4.660 -0.000 0.000 0.266 243 W C 2.324 178.731 176.519 -0.188 0.000 1.253 243 W CA 0.492 57.770 57.345 -0.112 0.000 1.274 243 W CB -0.006 29.445 29.460 -0.016 0.000 1.114 243 W HN 0.214 nan 8.180 nan 0.000 0.596 244 A N -0.335 122.350 122.820 -0.224 0.000 1.970 244 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 244 A C 1.959 179.292 177.584 -0.418 0.000 1.170 244 A CA 1.015 52.854 52.037 -0.330 0.000 0.645 244 A CB -0.433 18.252 19.000 -0.525 0.000 0.816 244 A HN 0.052 nan 8.150 nan 0.000 0.447 245 M N -0.196 119.048 119.600 -0.594 0.000 2.319 245 M HA -0.021 4.459 4.480 -0.000 0.000 0.265 245 M C 1.678 177.842 176.300 -0.226 0.000 1.068 245 M CA 0.957 56.015 55.300 -0.403 0.000 1.118 245 M CB -1.097 31.262 32.600 -0.402 0.000 1.395 245 M HN 0.363 nan 8.290 nan 0.000 0.435 246 E N 0.285 120.369 120.200 -0.194 0.000 2.107 246 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 246 E C 2.114 178.699 176.600 -0.024 0.000 0.982 246 E CA 1.260 57.616 56.400 -0.074 0.000 0.809 246 E CB -0.182 29.545 29.700 0.046 0.000 0.756 246 E HN 0.437 nan 8.360 nan 0.000 0.459 247 A N 1.789 124.593 122.820 -0.026 0.000 1.877 247 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 247 A C 2.172 179.732 177.584 -0.040 0.000 1.186 247 A CA 1.831 53.856 52.037 -0.019 0.000 0.620 247 A CB -0.388 18.597 19.000 -0.025 0.000 0.822 247 A HN 0.132 nan 8.150 nan 0.000 0.443 248 K N -0.598 119.760 120.400 -0.070 0.000 1.985 248 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 248 K C 1.713 178.287 176.600 -0.044 0.000 1.047 248 K CA 1.764 58.016 56.287 -0.058 0.000 0.932 248 K CB -0.262 32.194 32.500 -0.072 0.000 0.716 248 K HN 0.410 nan 8.250 nan 0.000 0.439 249 N N 0.872 119.539 118.700 -0.055 0.000 2.216 249 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 249 N C 0.994 176.488 175.510 -0.027 0.000 1.017 249 N CA 1.087 54.112 53.050 -0.041 0.000 0.861 249 N CB -0.126 38.328 38.487 -0.055 0.000 0.986 249 N HN 0.297 nan 8.380 nan 0.000 0.428 250 N N -0.442 118.245 118.700 -0.022 0.000 2.197 250 N HA 0.046 4.785 4.740 -0.000 0.000 0.201 250 N C 0.095 175.606 175.510 0.002 0.000 1.148 250 N CA 0.122 53.168 53.050 -0.006 0.000 0.883 250 N CB 0.420 38.909 38.487 0.003 0.000 1.012 250 N HN 0.136 nan 8.380 nan 0.000 0.507 251 N N 1.093 119.792 118.700 -0.002 0.000 2.200 251 N HA 0.041 4.781 4.740 -0.000 0.000 0.224 251 N C -0.798 174.709 175.510 -0.005 0.000 1.179 251 N CA -0.019 53.031 53.050 0.001 0.000 0.877 251 N CB 0.300 38.790 38.487 0.004 0.000 1.072 251 N HN -0.156 nan 8.380 nan 0.000 0.519 252 D N -0.775 119.620 120.400 -0.009 0.000 2.911 252 D HA -0.204 4.436 4.640 -0.000 0.000 0.227 252 D C -0.209 176.082 176.300 -0.014 0.000 1.164 252 D CA 1.022 55.017 54.000 -0.010 0.000 0.782 252 D CB -1.465 39.331 40.800 -0.005 0.000 1.094 252 D HN 0.473 nan 8.370 nan 0.000 0.425 253 A N -0.265 122.543 122.820 -0.020 0.000 2.332 253 A HA 0.510 4.830 4.320 -0.000 0.000 0.258 253 A C 0.760 178.329 177.584 -0.026 0.000 1.087 253 A CA 0.199 52.220 52.037 -0.026 0.000 0.802 253 A CB 0.695 19.675 19.000 -0.033 0.000 1.042 253 A HN 0.055 nan 8.150 nan 0.000 0.489 254 T N 1.789 116.326 114.554 -0.029 0.000 2.767 254 T HA 0.438 4.788 4.350 -0.000 0.000 0.284 254 T C -0.512 174.171 174.700 -0.029 0.000 0.973 254 T CA -0.086 62.000 62.100 -0.024 0.000 0.996 254 T CB 0.624 69.476 68.868 -0.027 0.000 0.927 254 T HN 0.506 nan 8.240 nan 0.000 0.456 255 L N 5.896 127.112 121.223 -0.012 0.000 2.272 255 L HA 0.631 4.971 4.340 -0.000 0.000 0.289 255 L C -1.028 175.847 176.870 0.008 0.000 1.032 255 L CA -0.345 54.496 54.840 0.002 0.000 0.810 255 L CB 0.225 42.304 42.059 0.032 0.000 1.205 255 L HN 0.594 nan 8.230 nan 0.000 0.422 256 I N 5.499 126.063 120.570 -0.010 0.000 2.474 256 I HA 0.508 4.678 4.170 -0.000 0.000 0.294 256 I C -0.870 175.241 176.117 -0.011 0.000 1.005 256 I CA -0.938 60.356 61.300 -0.009 0.000 1.113 256 I CB 2.071 40.053 38.000 -0.030 0.000 1.289 256 I HN 0.241 nan 8.210 nan 0.000 0.436 257 V N 6.660 126.577 119.914 0.004 0.000 2.531 257 V HA 0.416 4.536 4.120 -0.000 0.000 0.301 257 V C -0.430 175.641 176.094 -0.038 0.000 1.034 257 V CA -0.618 61.680 62.300 -0.004 0.000 0.865 257 V CB 2.296 34.128 31.823 0.015 0.000 0.995 257 V HN 0.406 nan 8.190 nan 0.000 0.424 258 V N 4.477 124.328 119.914 -0.104 0.000 2.376 258 V HA 0.651 4.770 4.120 -0.000 0.000 0.287 258 V C -0.729 175.281 176.094 -0.140 0.000 1.015 258 V CA -0.280 61.897 62.300 -0.205 0.000 0.834 258 V CB 1.552 33.185 31.823 -0.317 0.000 1.001 258 V HN 0.940 nan 8.190 nan 0.000 0.428 259 D N 5.762 126.126 120.400 -0.059 0.000 2.654 259 D HA 0.339 4.979 4.640 -0.000 0.000 0.231 259 D C -2.330 174.031 176.300 0.102 0.000 1.239 259 D CA -1.169 52.845 54.000 0.023 0.000 0.790 259 D CB 3.687 44.514 40.800 0.045 0.000 1.480 259 D HN 0.204 nan 8.370 nan 0.000 0.442 260 P HA -0.011 nan 4.420 nan 0.000 0.226 260 P C 0.067 177.446 177.300 0.132 0.000 1.153 260 P CA 0.648 63.805 63.100 0.096 0.000 0.777 260 P CB 0.693 32.434 31.700 0.068 0.000 0.794 261 R N -0.897 119.655 120.500 0.085 0.000 2.778 261 R HA 0.450 4.790 4.340 -0.000 0.000 0.277 261 R C -0.694 175.610 176.300 0.008 0.000 0.977 261 R CA -0.992 55.130 56.100 0.037 0.000 0.950 261 R CB 1.149 31.375 30.300 -0.125 0.000 1.165 261 R HN -0.104 nan 8.270 nan 0.000 0.474 262 F N 3.022 122.815 119.950 -0.262 0.000 2.405 262 F HA 0.141 4.668 4.527 -0.000 0.000 0.358 262 F C 0.445 176.067 175.800 -0.296 0.000 1.151 262 F CA -0.129 57.531 58.000 -0.567 0.000 1.161 262 F CB 0.375 39.011 39.000 -0.606 0.000 1.245 262 F HN 0.533 nan 8.300 nan 0.000 0.545 263 T N 2.079 116.410 114.554 -0.371 0.000 2.852 263 T HA 0.363 4.713 4.350 -0.000 0.000 0.281 263 T C 1.359 175.920 174.700 -0.232 0.000 0.993 263 T CA -0.698 61.265 62.100 -0.227 0.000 0.933 263 T CB 1.091 69.822 68.868 -0.229 0.000 1.187 263 T HN 0.667 nan 8.240 nan 0.000 0.559 264 R N -0.505 119.903 120.500 -0.153 0.000 2.235 264 R HA 0.009 4.349 4.340 -0.000 0.000 0.213 264 R C 2.310 178.486 176.300 -0.207 0.000 1.059 264 R CA 1.135 57.157 56.100 -0.129 0.000 0.997 264 R CB -0.561 29.682 30.300 -0.095 0.000 0.884 264 R HN 0.697 nan 8.270 nan 0.000 0.462 265 T N 0.372 114.752 114.554 -0.290 0.000 2.896 265 T HA -0.018 4.332 4.350 -0.000 0.000 0.263 265 T C 1.895 176.434 174.700 -0.268 0.000 1.050 265 T CA 1.089 62.990 62.100 -0.332 0.000 1.140 265 T CB -0.012 68.634 68.868 -0.370 0.000 0.877 265 T HN 0.298 nan 8.240 nan 0.000 0.457 266 A N 1.242 123.793 122.820 -0.449 0.000 2.019 266 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 266 A C 2.507 179.718 177.584 -0.622 0.000 1.164 266 A CA 1.828 53.423 52.037 -0.736 0.000 0.644 266 A CB -0.958 17.061 19.000 -1.635 0.000 0.805 266 A HN 0.437 nan 8.150 nan 0.000 0.449 267 S N -0.264 115.228 115.700 -0.346 0.000 2.387 267 S HA -0.149 4.321 4.470 -0.000 0.000 0.230 267 S C 1.575 176.203 174.600 0.048 0.000 1.035 267 S CA 2.028 60.252 58.200 0.040 0.000 1.014 267 S CB -0.494 62.747 63.200 0.068 0.000 0.836 267 S HN 1.016 nan 8.310 nan 0.000 0.466 268 V N -1.264 118.656 119.914 0.009 0.000 3.483 268 V HA 0.702 4.822 4.120 -0.000 0.000 0.301 268 V C 0.548 176.678 176.094 0.060 0.000 1.389 268 V CA -0.143 62.193 62.300 0.060 0.000 1.101 268 V CB -0.750 31.142 31.823 0.116 0.000 0.971 268 V HN 0.489 nan 8.190 nan 0.000 0.434 269 A N 0.421 123.254 122.820 0.022 0.000 2.322 269 A HA 0.432 4.752 4.320 -0.000 0.000 0.269 269 A C 0.963 178.579 177.584 0.054 0.000 1.094 269 A CA 0.048 52.105 52.037 0.034 0.000 0.807 269 A CB 0.351 19.352 19.000 0.002 0.000 1.047 269 A HN 0.350 nan 8.150 nan 0.000 0.487 270 D N 0.325 120.753 120.400 0.046 0.000 2.162 270 D HA 0.072 4.712 4.640 -0.000 0.000 0.203 270 D C 0.105 176.444 176.300 0.064 0.000 0.967 270 D CA 1.530 55.558 54.000 0.046 0.000 0.840 270 D CB 0.183 40.998 40.800 0.024 0.000 0.972 270 D HN 0.515 nan 8.370 nan 0.000 0.482 271 I N 0.121 120.730 120.570 0.064 0.000 2.533 271 I HA 0.200 4.370 4.170 -0.000 0.000 0.290 271 I C -1.252 174.934 176.117 0.116 0.000 1.056 271 I CA -1.039 60.309 61.300 0.080 0.000 1.057 271 I CB 2.388 40.410 38.000 0.037 0.000 1.240 271 I HN -0.197 nan 8.210 nan 0.000 0.423 272 Y N 6.284 126.608 120.300 0.039 0.000 2.376 272 Y HA 0.826 5.376 4.550 -0.000 0.000 0.340 272 Y C -1.010 174.936 175.900 0.076 0.000 0.965 272 Y CA -0.891 57.222 58.100 0.021 0.000 1.078 272 Y CB 1.787 40.270 38.460 0.038 0.000 1.193 272 Y HN 0.591 nan 8.280 nan 0.000 0.452 273 A N 8.580 130.877 122.820 -0.870 0.000 2.398 273 A HA 0.732 5.052 4.320 -0.000 0.000 0.301 273 A C -3.130 173.952 177.584 -0.838 0.000 1.041 273 A CA -1.868 49.800 52.037 -0.614 0.000 0.711 273 A CB 1.629 20.566 19.000 -0.106 0.000 1.240 273 A HN 0.515 nan 8.150 nan 0.000 0.420 274 P HA 0.623 nan 4.420 nan 0.000 0.279 274 P C -0.687 176.576 177.300 -0.061 0.000 1.252 274 P CA -0.261 62.713 63.100 -0.210 0.000 0.811 274 P CB 1.723 33.436 31.700 0.022 0.000 1.035 275 I N -0.439 120.127 120.570 -0.007 0.000 2.787 275 I HA 0.345 4.515 4.170 -0.000 0.000 0.294 275 I C -0.554 175.592 176.117 0.048 0.000 1.365 275 I CA -1.305 60.008 61.300 0.021 0.000 1.029 275 I CB 2.602 40.578 38.000 -0.041 0.000 1.313 275 I HN 0.256 nan 8.210 nan 0.000 0.431 276 R N 4.608 125.143 120.500 0.058 0.000 2.438 276 R HA 0.378 4.717 4.340 -0.000 0.000 0.287 276 R C -0.528 175.830 176.300 0.096 0.000 1.077 276 R CA -0.170 55.975 56.100 0.074 0.000 1.034 276 R CB 0.967 31.307 30.300 0.068 0.000 0.993 276 R HN 0.715 nan 8.270 nan 0.000 0.459 277 S N 2.302 118.074 115.700 0.120 0.000 2.546 277 S HA 0.191 4.660 4.470 -0.000 0.000 0.290 277 S C 0.952 175.672 174.600 0.200 0.000 1.290 277 S CA 0.911 59.221 58.200 0.184 0.000 1.069 277 S CB 0.976 64.292 63.200 0.193 0.000 0.846 277 S HN 0.944 nan 8.310 nan 0.000 0.495 278 G N 2.097 111.010 108.800 0.188 0.000 2.141 278 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 278 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 278 G C 0.485 175.450 174.900 0.108 0.000 0.982 278 G CA 0.491 45.644 45.100 0.090 0.000 0.662 278 G HN 1.066 nan 8.290 nan 0.000 0.527 279 T N -3.146 111.464 114.554 0.093 0.000 3.145 279 T HA 0.353 4.703 4.350 -0.000 0.000 0.281 279 T C 1.177 175.903 174.700 0.044 0.000 1.003 279 T CA 0.964 63.130 62.100 0.110 0.000 0.901 279 T CB 0.346 69.229 68.868 0.025 0.000 1.112 279 T HN 0.085 nan 8.240 nan 0.000 0.535 280 D N 1.989 122.393 120.400 0.006 0.000 2.158 280 D HA -0.063 4.577 4.640 -0.000 0.000 0.197 280 D C 1.669 177.917 176.300 -0.085 0.000 0.995 280 D CA 1.284 55.271 54.000 -0.022 0.000 0.846 280 D CB -0.332 40.438 40.800 -0.052 0.000 0.941 280 D HN 0.437 nan 8.370 nan 0.000 0.456 281 I N 0.584 121.087 120.570 -0.112 0.000 2.335 281 I HA -0.265 3.905 4.170 -0.000 0.000 0.251 281 I C 2.140 178.142 176.117 -0.191 0.000 1.129 281 I CA 1.041 62.243 61.300 -0.163 0.000 1.402 281 I CB -0.316 37.629 38.000 -0.093 0.000 1.069 281 I HN 0.072 nan 8.210 nan 0.000 0.424 282 T N 0.623 115.129 114.554 -0.080 0.000 2.737 282 T HA -0.175 4.175 4.350 -0.000 0.000 0.265 282 T C 1.662 176.309 174.700 -0.088 0.000 1.038 282 T CA 1.287 63.335 62.100 -0.087 0.000 1.144 282 T CB -0.376 68.382 68.868 -0.183 0.000 0.866 282 T HN 0.246 nan 8.240 nan 0.000 0.434 283 F N 1.799 121.640 119.950 -0.181 0.000 2.075 283 F HA 0.012 4.539 4.527 -0.000 0.000 0.297 283 F C 1.910 177.714 175.800 0.006 0.000 1.113 283 F CA 1.146 59.073 58.000 -0.122 0.000 1.218 283 F CB -0.516 38.473 39.000 -0.018 0.000 0.984 283 F HN 0.034 nan 8.300 nan 0.000 0.472 284 L N -0.888 120.510 121.223 0.291 0.000 2.141 284 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 284 L C 2.436 179.264 176.870 -0.070 0.000 1.094 284 L CA 1.253 56.172 54.840 0.131 0.000 0.763 284 L CB -0.867 41.131 42.059 -0.102 0.000 0.908 284 L HN 0.049 nan 8.230 nan 0.000 0.437 285 S N 0.019 115.550 115.700 -0.282 0.000 2.428 285 S HA -0.071 4.399 4.470 -0.000 0.000 0.230 285 S C 2.026 176.484 174.600 -0.237 0.000 1.014 285 S CA 1.032 58.942 58.200 -0.483 0.000 0.957 285 S CB -0.310 62.111 63.200 -1.298 0.000 0.784 285 S HN 0.600 nan 8.310 nan 0.000 0.499 286 G N 1.103 109.850 108.800 -0.088 0.000 2.422 286 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 286 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 286 G C 1.387 176.454 174.900 0.277 0.000 1.140 286 G CA 0.718 45.902 45.100 0.141 0.000 0.775 286 G HN 0.423 nan 8.290 nan 0.000 0.545 287 V N 0.819 120.853 119.914 0.200 0.000 2.358 287 V HA -0.077 4.043 4.120 -0.000 0.000 0.246 287 V C 2.885 179.038 176.094 0.099 0.000 1.047 287 V CA 1.204 63.563 62.300 0.097 0.000 1.035 287 V CB -0.364 31.524 31.823 0.108 0.000 0.658 287 V HN 0.333 nan 8.190 nan 0.000 0.452 288 L N -0.303 120.939 121.223 0.032 0.000 2.042 288 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 288 L C 2.754 179.621 176.870 -0.005 0.000 1.076 288 L CA 1.934 56.767 54.840 -0.012 0.000 0.749 288 L CB -0.604 41.392 42.059 -0.106 0.000 0.893 288 L HN 0.271 nan 8.230 nan 0.000 0.432 289 R N -0.724 119.783 120.500 0.012 0.000 2.081 289 R HA -0.252 4.088 4.340 -0.000 0.000 0.235 289 R C 2.475 178.805 176.300 0.051 0.000 1.131 289 R CA 1.868 57.977 56.100 0.015 0.000 0.960 289 R CB -0.460 29.874 30.300 0.058 0.000 0.856 289 R HN 0.288 nan 8.270 nan 0.000 0.436 290 Y N 1.212 121.504 120.300 -0.014 0.000 2.181 290 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 290 Y C 1.911 177.793 175.900 -0.030 0.000 1.146 290 Y CA 1.731 59.810 58.100 -0.034 0.000 1.164 290 Y CB -0.243 38.163 38.460 -0.091 0.000 0.982 290 Y HN 0.031 nan 8.280 nan 0.000 0.515 291 L N -0.463 120.870 121.223 0.183 0.000 2.017 291 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 291 L C 2.427 179.319 176.870 0.035 0.000 1.073 291 L CA 1.586 56.495 54.840 0.115 0.000 0.745 291 L CB -0.626 41.517 42.059 0.138 0.000 0.894 291 L HN 0.266 nan 8.230 nan 0.000 0.432 292 I N -0.201 120.384 120.570 0.026 0.000 2.179 292 I HA -0.293 3.876 4.170 -0.000 0.000 0.242 292 I C 2.617 178.731 176.117 -0.005 0.000 1.088 292 I CA 1.420 62.741 61.300 0.035 0.000 1.357 292 I CB -0.295 37.635 38.000 -0.117 0.000 1.051 292 I HN 0.336 nan 8.210 nan 0.000 0.409 293 E N 1.125 121.279 120.200 -0.078 0.000 2.153 293 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 293 E C 1.455 177.971 176.600 -0.141 0.000 0.988 293 E CA 1.083 57.420 56.400 -0.105 0.000 0.811 293 E CB 0.114 29.735 29.700 -0.132 0.000 0.746 293 E HN 0.468 nan 8.360 nan 0.000 0.466 294 N N 0.724 119.288 118.700 -0.225 0.000 2.270 294 N HA -0.041 4.699 4.740 -0.000 0.000 0.198 294 N C -0.164 175.286 175.510 -0.100 0.000 1.117 294 N CA 0.175 53.090 53.050 -0.225 0.000 0.845 294 N CB 0.350 38.576 38.487 -0.435 0.000 0.980 294 N HN 0.134 nan 8.380 nan 0.000 0.486 295 N N 1.331 120.010 118.700 -0.035 0.000 2.740 295 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 295 N C -1.018 174.500 175.510 0.012 0.000 1.062 295 N CA 0.602 53.665 53.050 0.021 0.000 0.704 295 N CB -0.701 37.793 38.487 0.012 0.000 0.968 295 N HN 0.052 nan 8.380 nan 0.000 0.547 296 K N 0.873 121.282 120.400 0.015 0.000 2.363 296 K HA 0.326 4.646 4.320 -0.000 0.000 0.240 296 K C 0.405 177.031 176.600 0.042 0.000 1.169 296 K CA -0.234 56.069 56.287 0.027 0.000 1.131 296 K CB -0.549 31.984 32.500 0.055 0.000 1.771 296 K HN 0.589 nan 8.250 nan 0.000 0.380 297 I N -2.390 118.194 120.570 0.023 0.000 3.074 297 I HA 0.435 4.605 4.170 -0.000 0.000 0.310 297 I C -0.383 175.697 176.117 -0.062 0.000 1.153 297 I CA -1.101 60.203 61.300 0.006 0.000 0.993 297 I CB 1.980 40.018 38.000 0.062 0.000 1.237 297 I HN -0.129 nan 8.210 nan 0.000 0.443 298 N N 2.613 121.239 118.700 -0.123 0.000 2.767 298 N HA 0.351 5.091 4.740 -0.000 0.000 0.238 298 N C 0.744 176.181 175.510 -0.122 0.000 1.083 298 N CA 0.321 53.261 53.050 -0.182 0.000 0.964 298 N CB 1.373 39.631 38.487 -0.382 0.000 1.252 298 N HN 0.877 nan 8.380 nan 0.000 0.512 299 A N 3.528 126.287 122.820 -0.101 0.000 1.892 299 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 299 A C 1.827 179.356 177.584 -0.091 0.000 1.188 299 A CA 1.310 53.268 52.037 -0.131 0.000 0.631 299 A CB -0.209 18.721 19.000 -0.117 0.000 0.822 299 A HN 0.629 nan 8.150 nan 0.000 0.447 300 E N -1.540 118.666 120.200 0.010 0.000 2.150 300 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 300 E C 1.777 178.442 176.600 0.110 0.000 0.985 300 E CA 1.178 57.650 56.400 0.120 0.000 0.814 300 E CB -0.478 29.381 29.700 0.266 0.000 0.752 300 E HN 0.811 nan 8.360 nan 0.000 0.466 301 Y N 1.497 121.723 120.300 -0.124 0.000 2.163 301 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 301 Y C 2.305 178.152 175.900 -0.089 0.000 1.136 301 Y CA 1.178 59.171 58.100 -0.179 0.000 1.147 301 Y CB -0.312 37.949 38.460 -0.331 0.000 0.987 301 Y HN -0.204 nan 8.280 nan 0.000 0.509 302 V N 1.038 121.051 119.914 0.164 0.000 2.255 302 V HA -0.348 3.772 4.120 -0.000 0.000 0.247 302 V C 2.438 178.490 176.094 -0.070 0.000 1.051 302 V CA 2.413 64.755 62.300 0.070 0.000 1.018 302 V CB -0.784 30.972 31.823 -0.113 0.000 0.641 302 V HN 0.379 nan 8.190 nan 0.000 0.445 303 K N -1.092 119.184 120.400 -0.206 0.000 2.063 303 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 303 K C 2.130 178.498 176.600 -0.386 0.000 1.048 303 K CA 1.910 57.992 56.287 -0.342 0.000 0.928 303 K CB -0.151 32.073 32.500 -0.461 0.000 0.713 303 K HN 0.606 nan 8.250 nan 0.000 0.442 304 H N -1.898 117.086 119.070 -0.144 0.000 2.476 304 H HA 0.006 4.562 4.556 -0.000 0.000 0.292 304 H C 1.265 176.635 175.328 0.069 0.000 1.019 304 H CA 0.810 56.781 56.048 -0.129 0.000 1.330 304 H CB 0.251 29.821 29.762 -0.320 0.000 1.451 304 H HN 0.224 nan 8.280 nan 0.000 0.535 305 Y N 1.519 121.865 120.300 0.077 0.000 2.482 305 Y HA 0.090 4.640 4.550 -0.000 0.000 0.270 305 Y C 1.429 177.421 175.900 0.154 0.000 1.152 305 Y CA -0.095 58.042 58.100 0.062 0.000 1.292 305 Y CB -0.048 38.271 38.460 -0.235 0.000 1.070 305 Y HN 0.093 nan 8.280 nan 0.000 0.528 306 T N -2.219 112.483 114.554 0.247 0.000 2.905 306 T HA 0.267 4.617 4.350 -0.000 0.000 0.283 306 T C 0.552 175.324 174.700 0.120 0.000 1.031 306 T CA -0.838 61.367 62.100 0.175 0.000 1.002 306 T CB 1.373 70.361 68.868 0.200 0.000 1.200 306 T HN 0.138 nan 8.240 nan 0.000 0.560 307 N N -0.101 118.670 118.700 0.117 0.000 2.346 307 N HA 0.216 4.955 4.740 -0.000 0.000 0.225 307 N C 1.484 177.055 175.510 0.101 0.000 1.144 307 N CA 0.210 53.312 53.050 0.087 0.000 0.837 307 N CB -0.509 38.066 38.487 0.147 0.000 1.069 307 N HN 0.745 nan 8.380 nan 0.000 0.487 308 A N 0.818 123.717 122.820 0.131 0.000 1.948 308 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 308 A C 2.287 179.938 177.584 0.112 0.000 1.177 308 A CA 1.994 54.146 52.037 0.191 0.000 0.636 308 A CB -0.804 18.295 19.000 0.166 0.000 0.815 308 A HN 0.592 nan 8.150 nan 0.000 0.449 309 S N -1.519 114.186 115.700 0.007 0.000 2.528 309 S HA 0.279 4.749 4.470 -0.000 0.000 0.219 309 S C 0.379 174.939 174.600 -0.066 0.000 0.985 309 S CA -0.314 57.867 58.200 -0.032 0.000 0.914 309 S CB -0.454 62.698 63.200 -0.079 0.000 0.776 309 S HN 0.150 nan 8.310 nan 0.000 0.526 310 L N 2.422 123.585 121.223 -0.101 0.000 2.426 310 L HA 0.339 4.679 4.340 -0.000 0.000 0.271 310 L C 0.127 176.917 176.870 -0.132 0.000 1.169 310 L CA 0.144 54.864 54.840 -0.200 0.000 0.836 310 L CB 0.375 42.156 42.059 -0.464 0.000 1.112 310 L HN 0.304 nan 8.230 nan 0.000 0.465 311 L N 3.456 124.590 121.223 -0.148 0.000 2.292 311 L HA 0.442 4.782 4.340 -0.000 0.000 0.284 311 L C -0.275 176.560 176.870 -0.059 0.000 1.065 311 L CA -0.751 53.997 54.840 -0.154 0.000 0.806 311 L CB 1.308 43.208 42.059 -0.265 0.000 1.175 311 L HN 0.242 nan 8.230 nan 0.000 0.431 312 V N 3.395 123.233 119.914 -0.126 0.000 2.539 312 V HA 0.319 4.439 4.120 -0.000 0.000 0.292 312 V C 0.581 176.670 176.094 -0.008 0.000 1.045 312 V CA -0.820 61.379 62.300 -0.168 0.000 0.945 312 V CB 1.549 33.051 31.823 -0.535 0.000 0.993 312 V HN 0.721 nan 8.190 nan 0.000 0.464 313 R N 2.189 122.725 120.500 0.060 0.000 2.619 313 R HA -0.039 4.301 4.340 -0.000 0.000 0.268 313 R C 0.597 177.002 176.300 0.174 0.000 0.990 313 R CA -0.096 56.079 56.100 0.125 0.000 1.092 313 R CB 0.230 30.623 30.300 0.154 0.000 0.935 313 R HN 0.669 nan 8.270 nan 0.000 0.415 314 D N 1.733 122.224 120.400 0.151 0.000 2.218 314 D HA -0.140 4.500 4.640 -0.000 0.000 0.204 314 D C 0.974 177.377 176.300 0.171 0.000 0.976 314 D CA 1.351 55.446 54.000 0.158 0.000 0.853 314 D CB -0.087 40.788 40.800 0.125 0.000 0.939 314 D HN 0.589 nan 8.370 nan 0.000 0.481 315 D N -0.269 120.238 120.400 0.178 0.000 2.349 315 D HA -0.112 4.528 4.640 -0.000 0.000 0.224 315 D C 0.486 176.928 176.300 0.237 0.000 1.029 315 D CA -0.387 53.717 54.000 0.173 0.000 0.879 315 D CB -0.892 39.993 40.800 0.143 0.000 0.906 315 D HN 0.107 nan 8.370 nan 0.000 0.528 316 F N 1.675 121.739 119.950 0.190 0.000 2.443 316 F HA 0.487 5.014 4.527 -0.000 0.000 0.353 316 F C -0.197 175.752 175.800 0.249 0.000 1.101 316 F CA -0.762 57.396 58.000 0.263 0.000 1.226 316 F CB 0.777 39.923 39.000 0.242 0.000 1.140 316 F HN 0.083 nan 8.300 nan 0.000 0.557 317 A N 5.496 127.802 122.820 -0.856 0.000 2.599 317 A HA 0.731 5.050 4.320 -0.000 0.000 0.290 317 A C -2.269 175.040 177.584 -0.459 0.000 1.101 317 A CA -0.582 51.097 52.037 -0.596 0.000 0.674 317 A CB 0.955 19.855 19.000 -0.165 0.000 1.277 317 A HN 0.905 nan 8.150 nan 0.000 0.419 318 F N 0.196 119.930 119.950 -0.361 0.000 2.588 318 F HA 0.722 5.249 4.527 -0.000 0.000 0.314 318 F C -0.784 174.894 175.800 -0.204 0.000 1.134 318 F CA -0.042 57.760 58.000 -0.330 0.000 0.961 318 F CB 1.735 40.538 39.000 -0.328 0.000 1.239 318 F HN 0.772 nan 8.300 nan 0.000 0.448 319 E N 4.583 124.145 120.200 -1.062 0.000 2.347 319 E HA 0.237 4.587 4.350 -0.000 0.000 0.285 319 E C -1.301 174.811 176.600 -0.812 0.000 0.925 319 E CA -0.496 55.461 56.400 -0.738 0.000 0.779 319 E CB 1.484 30.984 29.700 -0.334 0.000 1.233 319 E HN 0.702 nan 8.360 nan 0.000 0.414 320 D N 3.370 123.408 120.400 -0.603 0.000 2.686 320 D HA -0.211 4.429 4.640 -0.000 0.000 0.235 320 D C 0.649 176.605 176.300 -0.574 0.000 1.160 320 D CA 2.559 56.320 54.000 -0.399 0.000 0.645 320 D CB -1.143 39.513 40.800 -0.240 0.000 1.039 320 D HN 0.985 nan 8.370 nan 0.000 0.423 321 G N -1.477 106.796 108.800 -0.879 0.000 2.176 321 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.253 321 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.253 321 G C 0.276 174.951 174.900 -0.374 0.000 0.979 321 G CA 0.390 44.982 45.100 -0.846 0.000 0.641 321 G HN 0.611 nan 8.290 nan 0.000 0.530 322 L N -0.306 120.539 121.223 -0.629 0.000 2.381 322 L HA 0.754 5.094 4.340 -0.000 0.000 0.268 322 L C 0.094 176.831 176.870 -0.221 0.000 0.997 322 L CA -1.271 53.435 54.840 -0.223 0.000 0.818 322 L CB 1.542 43.468 42.059 -0.221 0.000 1.310 322 L HN -0.013 nan 8.230 nan 0.000 0.416 323 F N -0.195 119.990 119.950 0.392 0.000 2.380 323 F HA 0.339 4.866 4.527 -0.000 0.000 0.319 323 F C 1.062 177.114 175.800 0.421 0.000 1.113 323 F CA -0.248 57.929 58.000 0.295 0.000 1.056 323 F CB 1.277 40.269 39.000 -0.014 0.000 1.289 323 F HN 0.472 nan 8.300 nan 0.000 0.515 324 S N -0.122 115.894 115.700 0.527 0.000 2.579 324 S HA 0.424 4.894 4.470 -0.000 0.000 0.275 324 S C 0.848 175.824 174.600 0.627 0.000 1.345 324 S CA -0.141 58.328 58.200 0.449 0.000 1.031 324 S CB 0.715 64.098 63.200 0.304 0.000 0.892 324 S HN 1.470 nan 8.310 nan 0.000 0.529 325 G N -0.150 108.899 108.800 0.415 0.000 2.157 325 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 325 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 325 G C -0.240 174.876 174.900 0.361 0.000 0.979 325 G CA 0.143 45.436 45.100 0.321 0.000 0.650 325 G HN 0.975 nan 8.290 nan 0.000 0.529 326 Y N 1.998 122.443 120.300 0.241 0.000 2.442 326 Y HA 0.468 5.018 4.550 -0.000 0.000 0.330 326 Y C 0.160 175.996 175.900 -0.106 0.000 1.129 326 Y CA -0.481 57.546 58.100 -0.122 0.000 1.365 326 Y CB 1.013 39.348 38.460 -0.208 0.000 1.233 326 Y HN 0.125 nan 8.280 nan 0.000 0.529 327 D N 5.348 125.300 120.400 -0.747 0.000 2.477 327 D HA 0.273 4.913 4.640 -0.000 0.000 0.239 327 D C 0.540 176.302 176.300 -0.898 0.000 1.102 327 D CA 0.092 53.754 54.000 -0.563 0.000 0.901 327 D CB 1.071 41.660 40.800 -0.352 0.000 1.026 327 D HN 0.774 nan 8.370 nan 0.000 0.515 328 A N 3.909 126.307 122.820 -0.703 0.000 2.131 328 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 328 A C 1.746 179.175 177.584 -0.258 0.000 1.158 328 A CA 1.098 52.864 52.037 -0.452 0.000 0.665 328 A CB -0.016 18.949 19.000 -0.059 0.000 0.795 328 A HN 0.487 nan 8.150 nan 0.000 0.460 329 E N -0.290 119.771 120.200 -0.231 0.000 2.140 329 E HA -0.027 4.322 4.350 -0.000 0.000 0.191 329 E C 1.614 178.127 176.600 -0.145 0.000 0.973 329 E CA 0.915 57.230 56.400 -0.142 0.000 0.829 329 E CB -0.172 29.464 29.700 -0.107 0.000 0.781 329 E HN 0.633 nan 8.360 nan 0.000 0.466 330 K N 0.274 120.556 120.400 -0.198 0.000 2.379 330 K HA 0.151 4.471 4.320 -0.000 0.000 0.194 330 K C -0.096 176.394 176.600 -0.184 0.000 1.031 330 K CA -0.109 56.081 56.287 -0.162 0.000 1.037 330 K CB 0.412 32.819 32.500 -0.156 0.000 0.824 330 K HN -0.080 nan 8.250 nan 0.000 0.516 331 R N 1.600 121.924 120.500 -0.293 0.000 3.264 331 R HA -0.177 4.163 4.340 -0.000 0.000 0.251 331 R C -0.890 175.312 176.300 -0.163 0.000 0.971 331 R CA 0.607 56.560 56.100 -0.244 0.000 0.658 331 R CB -1.124 29.139 30.300 -0.063 0.000 1.095 331 R HN 0.252 nan 8.270 nan 0.000 0.443 332 Q N -0.349 119.276 119.800 -0.290 0.000 2.534 332 Q HA 0.356 4.696 4.340 -0.000 0.000 0.290 332 Q C -1.097 174.793 176.000 -0.184 0.000 0.991 332 Q CA -0.726 55.005 55.803 -0.119 0.000 0.783 332 Q CB 1.526 30.219 28.738 -0.074 0.000 1.470 332 Q HN 0.190 nan 8.270 nan 0.000 0.406 333 Y N 0.201 120.503 120.300 0.004 0.000 2.387 333 Y HA 0.204 4.754 4.550 -0.000 0.000 0.336 333 Y C 0.279 176.025 175.900 -0.258 0.000 1.067 333 Y CA -0.615 57.457 58.100 -0.048 0.000 1.114 333 Y CB 1.325 39.778 38.460 -0.012 0.000 1.208 333 Y HN 0.435 nan 8.280 nan 0.000 0.458 334 D N 2.555 122.919 120.400 -0.060 0.000 2.313 334 D HA 0.127 4.767 4.640 -0.000 0.000 0.239 334 D C -0.360 175.685 176.300 -0.426 0.000 1.142 334 D CA -0.290 53.604 54.000 -0.177 0.000 0.847 334 D CB 0.998 41.743 40.800 -0.091 0.000 1.082 334 D HN 0.587 nan 8.370 nan 0.000 0.480 335 K N 1.950 121.983 120.400 -0.611 0.000 2.446 335 K HA 0.107 4.427 4.320 -0.000 0.000 0.203 335 K C 1.548 177.841 176.600 -0.512 0.000 1.027 335 K CA -0.185 55.471 56.287 -1.051 0.000 1.166 335 K CB 0.392 32.306 32.500 -0.976 0.000 0.869 335 K HN 0.210 nan 8.250 nan 0.000 0.504 336 S N 1.084 116.621 115.700 -0.272 0.000 2.387 336 S HA -0.176 4.294 4.470 -0.000 0.000 0.230 336 S C 2.031 176.634 174.600 0.005 0.000 1.035 336 S CA 1.967 60.107 58.200 -0.100 0.000 1.014 336 S CB -0.161 63.006 63.200 -0.054 0.000 0.836 336 S HN 0.526 nan 8.310 nan 0.000 0.466 337 S N -0.432 115.312 115.700 0.073 0.000 2.527 337 S HA 0.005 4.475 4.470 -0.000 0.000 0.222 337 S C 0.185 175.087 174.600 0.503 0.000 0.985 337 S CA -0.111 58.261 58.200 0.287 0.000 0.921 337 S CB -0.372 63.048 63.200 0.367 0.000 0.772 337 S HN 0.570 nan 8.310 nan 0.000 0.529 338 W N 3.686 125.060 121.300 0.122 0.000 1.496 338 W HA 0.576 5.236 4.660 -0.000 0.000 0.422 338 W C 0.172 176.659 176.519 -0.053 0.000 0.638 338 W CA -1.774 55.587 57.345 0.027 0.000 2.105 338 W CB -1.689 27.642 29.460 -0.215 0.000 1.639 338 W HN 0.249 nan 8.180 nan 0.000 0.304 339 N N -0.394 118.414 118.700 0.181 0.000 2.732 339 N HA 0.226 4.966 4.740 -0.000 0.000 0.259 339 N C -1.137 174.346 175.510 -0.044 0.000 1.402 339 N CA -0.814 52.219 53.050 -0.030 0.000 0.829 339 N CB 1.418 39.901 38.487 -0.007 0.000 1.495 339 N HN -0.225 nan 8.380 nan 0.000 0.511 340 Y N 1.107 121.437 120.300 0.050 0.000 2.300 340 Y HA 0.204 4.754 4.550 -0.000 0.000 0.328 340 Y C 1.144 177.046 175.900 0.003 0.000 1.270 340 Y CA -0.156 57.938 58.100 -0.011 0.000 1.352 340 Y CB 0.400 38.862 38.460 0.004 0.000 1.286 340 Y HN 0.135 nan 8.280 nan 0.000 0.536 341 Q N 1.598 121.493 119.800 0.159 0.000 2.340 341 Q HA 0.428 4.768 4.340 -0.000 0.000 0.249 341 Q C -1.071 174.984 176.000 0.091 0.000 0.957 341 Q CA -0.395 55.462 55.803 0.088 0.000 0.882 341 Q CB 0.896 29.655 28.738 0.035 0.000 1.235 341 Q HN 0.508 nan 8.270 nan 0.000 0.439 342 L N 2.264 123.530 121.223 0.073 0.000 2.325 342 L HA 0.311 4.651 4.340 -0.000 0.000 0.278 342 L C 0.077 176.971 176.870 0.041 0.000 1.023 342 L CA -0.941 53.937 54.840 0.064 0.000 0.811 342 L CB 1.120 43.209 42.059 0.050 0.000 1.249 342 L HN 0.739 nan 8.230 nan 0.000 0.431 343 D N 0.946 121.373 120.400 0.045 0.000 2.478 343 D HA 0.036 4.676 4.640 -0.000 0.000 0.274 343 D C 0.759 177.069 176.300 0.016 0.000 1.234 343 D CA -0.462 53.561 54.000 0.037 0.000 1.069 343 D CB 0.480 41.316 40.800 0.060 0.000 1.113 343 D HN 0.462 nan 8.370 nan 0.000 0.571 344 E N -0.352 119.859 120.200 0.017 0.000 2.333 344 E HA -0.170 4.180 4.350 -0.000 0.000 0.198 344 E C 0.526 177.111 176.600 -0.025 0.000 1.007 344 E CA 0.848 57.249 56.400 0.002 0.000 0.845 344 E CB -0.847 28.861 29.700 0.013 0.000 0.766 344 E HN 0.569 nan 8.360 nan 0.000 0.507 345 N N -0.142 118.536 118.700 -0.037 0.000 2.230 345 N HA 0.202 4.942 4.740 -0.000 0.000 0.202 345 N C 0.641 175.949 175.510 -0.337 0.000 1.119 345 N CA 0.364 53.338 53.050 -0.126 0.000 0.851 345 N CB 1.150 39.622 38.487 -0.025 0.000 0.990 345 N HN 0.278 nan 8.380 nan 0.000 0.497 346 G N -0.014 108.656 108.800 -0.217 0.000 2.143 346 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.249 346 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.249 346 G C -0.500 174.261 174.900 -0.231 0.000 0.981 346 G CA -0.023 44.936 45.100 -0.236 0.000 0.665 346 G HN 0.240 nan 8.290 nan 0.000 0.528 347 Y N 0.215 120.530 120.300 0.025 0.000 2.519 347 Y HA 0.737 5.287 4.550 -0.000 0.000 0.324 347 Y C 0.890 176.794 175.900 0.006 0.000 1.214 347 Y CA -0.977 57.135 58.100 0.020 0.000 1.260 347 Y CB 1.044 39.509 38.460 0.009 0.000 1.311 347 Y HN 0.446 nan 8.280 nan 0.000 0.505 348 A N 1.957 124.876 122.820 0.164 0.000 2.477 348 A HA 0.214 4.534 4.320 -0.000 0.000 0.246 348 A C 0.046 177.608 177.584 -0.037 0.000 1.078 348 A CA -0.520 51.515 52.037 -0.004 0.000 0.770 348 A CB -0.224 18.579 19.000 -0.328 0.000 1.011 348 A HN 0.705 nan 8.150 nan 0.000 0.494 349 K N 1.683 122.061 120.400 -0.037 0.000 2.237 349 K HA 0.395 4.715 4.320 -0.000 0.000 0.270 349 K C -0.090 176.448 176.600 -0.104 0.000 1.015 349 K CA 0.151 56.410 56.287 -0.047 0.000 0.949 349 K CB 0.761 33.235 32.500 -0.043 0.000 0.976 349 K HN 0.759 nan 8.250 nan 0.000 0.472 350 R N 0.842 121.293 120.500 -0.082 0.000 2.837 350 R HA 0.244 4.584 4.340 -0.000 0.000 0.271 350 R C -1.311 174.952 176.300 -0.062 0.000 0.993 350 R CA -0.922 55.124 56.100 -0.091 0.000 0.931 350 R CB 1.554 31.807 30.300 -0.079 0.000 1.206 350 R HN 0.523 nan 8.270 nan 0.000 0.474 351 D N 0.876 121.245 120.400 -0.053 0.000 2.346 351 D HA 0.143 4.782 4.640 -0.000 0.000 0.255 351 D C -0.277 176.008 176.300 -0.025 0.000 1.276 351 D CA -0.352 53.642 54.000 -0.012 0.000 0.941 351 D CB 1.217 42.039 40.800 0.037 0.000 1.199 351 D HN 0.445 nan 8.370 nan 0.000 0.537 352 E N 0.337 120.514 120.200 -0.038 0.000 2.331 352 E HA -0.112 4.238 4.350 -0.000 0.000 0.199 352 E C 1.845 178.400 176.600 -0.074 0.000 1.008 352 E CA 1.533 57.890 56.400 -0.072 0.000 0.843 352 E CB 0.042 29.706 29.700 -0.060 0.000 0.761 352 E HN 0.624 nan 8.360 nan 0.000 0.507 353 T N -1.853 112.681 114.554 -0.033 0.000 3.067 353 T HA 0.047 4.397 4.350 -0.000 0.000 0.261 353 T C 1.087 175.772 174.700 -0.023 0.000 1.110 353 T CA 0.007 62.091 62.100 -0.026 0.000 1.113 353 T CB -0.234 68.636 68.868 0.004 0.000 0.917 353 T HN 0.210 nan 8.240 nan 0.000 0.499 354 L N 1.225 122.445 121.223 -0.005 0.000 3.865 354 L HA -0.215 4.124 4.340 -0.000 0.000 0.408 354 L C 1.469 178.404 176.870 0.109 0.000 1.209 354 L CA 0.759 55.621 54.840 0.037 0.000 0.940 354 L CB -2.838 39.177 42.059 -0.073 0.000 1.971 354 L HN 0.673 nan 8.230 nan 0.000 0.899 355 T N -6.151 108.465 114.554 0.104 0.000 2.990 355 T HA 0.014 4.364 4.350 -0.000 0.000 0.249 355 T C 0.654 175.431 174.700 0.127 0.000 1.039 355 T CA 0.294 62.456 62.100 0.104 0.000 1.036 355 T CB -0.015 68.890 68.868 0.061 0.000 0.994 355 T HN 0.510 nan 8.240 nan 0.000 0.489 356 H N 4.085 123.187 119.070 0.054 0.000 3.004 356 H HA 0.164 4.720 4.556 -0.000 0.000 0.316 356 H C -1.218 174.149 175.328 0.065 0.000 1.014 356 H CA -1.381 54.697 56.048 0.051 0.000 1.454 356 H CB 1.129 30.915 29.762 0.040 0.000 1.472 356 H HN -0.020 nan 8.280 nan 0.000 0.571 357 P HA -0.195 nan 4.420 nan 0.000 0.220 357 P C 0.645 178.102 177.300 0.261 0.000 1.144 357 P CA 1.140 64.336 63.100 0.160 0.000 0.800 357 P CB 0.377 32.108 31.700 0.053 0.000 0.772 358 R N -0.317 120.469 120.500 0.477 0.000 2.359 358 R HA 0.107 4.447 4.340 -0.000 0.000 0.231 358 R C 0.922 177.256 176.300 0.057 0.000 0.913 358 R CA -0.259 55.976 56.100 0.226 0.000 1.075 358 R CB -1.664 28.742 30.300 0.176 0.000 1.087 358 R HN 0.349 nan 8.270 nan 0.000 0.515 359 C N -1.520 117.839 119.300 0.099 0.000 2.605 359 C HA 0.258 4.717 4.460 -0.000 0.000 0.404 359 C C 2.350 177.378 174.990 0.063 0.000 1.284 359 C CA -1.095 57.948 59.018 0.042 0.000 2.199 359 C CB 0.730 28.530 27.740 0.101 0.000 2.647 359 C HN 0.147 nan 8.230 nan 0.000 0.604 360 V N 2.863 122.790 119.914 0.021 0.000 2.278 360 V HA -0.257 3.862 4.120 -0.000 0.000 0.251 360 V C 2.200 178.422 176.094 0.213 0.000 1.062 360 V CA 2.915 65.249 62.300 0.057 0.000 1.038 360 V CB -1.020 30.867 31.823 0.106 0.000 0.646 360 V HN 1.055 nan 8.190 nan 0.000 0.447 361 W N 1.028 122.361 121.300 0.056 0.000 2.318 361 W HA -0.238 4.422 4.660 -0.000 0.000 0.313 361 W C 2.380 178.932 176.519 0.056 0.000 1.221 361 W CA 2.138 59.515 57.345 0.054 0.000 1.266 361 W CB -0.350 29.127 29.460 0.028 0.000 1.150 361 W HN 0.364 nan 8.180 nan 0.000 0.496 362 N N 0.692 119.457 118.700 0.110 0.000 2.244 362 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 362 N C 1.874 177.381 175.510 -0.005 0.000 1.016 362 N CA 1.481 54.537 53.050 0.009 0.000 0.866 362 N CB -0.807 37.755 38.487 0.126 0.000 0.980 362 N HN 0.301 nan 8.380 nan 0.000 0.430 363 L N 0.256 121.533 121.223 0.089 0.000 2.156 363 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 363 L C 2.206 179.136 176.870 0.100 0.000 1.095 363 L CA 0.366 55.332 54.840 0.210 0.000 0.770 363 L CB -0.272 41.984 42.059 0.329 0.000 0.914 363 L HN 0.113 nan 8.230 nan 0.000 0.439 364 L N 0.347 121.510 121.223 -0.101 0.000 2.027 364 L HA -0.193 4.147 4.340 -0.000 0.000 0.206 364 L C 2.526 179.119 176.870 -0.462 0.000 1.074 364 L CA 1.802 56.309 54.840 -0.555 0.000 0.745 364 L CB -0.631 41.161 42.059 -0.445 0.000 0.898 364 L HN 0.105 nan 8.230 nan 0.000 0.433 365 K N -0.573 119.554 120.400 -0.457 0.000 2.032 365 K HA -0.288 4.032 4.320 -0.000 0.000 0.209 365 K C 2.130 178.609 176.600 -0.200 0.000 1.048 365 K CA 1.869 57.925 56.287 -0.384 0.000 0.927 365 K CB -0.133 32.129 32.500 -0.397 0.000 0.712 365 K HN 0.431 nan 8.250 nan 0.000 0.441 366 E N -0.007 120.125 120.200 -0.114 0.000 2.051 366 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 366 E C 1.869 178.453 176.600 -0.026 0.000 0.991 366 E CA 1.846 58.228 56.400 -0.029 0.000 0.799 366 E CB -0.334 29.399 29.700 0.054 0.000 0.748 366 E HN 0.453 nan 8.360 nan 0.000 0.449 367 H N -0.404 118.580 119.070 -0.143 0.000 2.319 367 H HA -0.083 4.473 4.556 -0.000 0.000 0.299 367 H C 1.856 177.108 175.328 -0.128 0.000 1.092 367 H CA 2.479 58.419 56.048 -0.180 0.000 1.302 367 H CB -0.094 29.431 29.762 -0.394 0.000 1.373 367 H HN 0.173 nan 8.280 nan 0.000 0.497 368 V N -0.512 119.315 119.914 -0.145 0.000 3.573 368 V HA -0.006 4.114 4.120 -0.000 0.000 0.270 368 V C 2.114 178.222 176.094 0.024 0.000 1.221 368 V CA 0.930 63.214 62.300 -0.026 0.000 1.163 368 V CB -0.601 31.148 31.823 -0.123 0.000 0.847 368 V HN 0.553 nan 8.190 nan 0.000 0.468 369 S N 1.346 117.008 115.700 -0.064 0.000 2.419 369 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 369 S C 1.998 176.549 174.600 -0.081 0.000 1.019 369 S CA 1.507 59.669 58.200 -0.062 0.000 0.982 369 S CB -0.661 62.498 63.200 -0.069 0.000 0.789 369 S HN 0.678 nan 8.310 nan 0.000 0.490 370 R N -0.316 120.092 120.500 -0.153 0.000 2.189 370 R HA 0.105 4.445 4.340 -0.000 0.000 0.218 370 R C 0.002 176.072 176.300 -0.383 0.000 1.074 370 R CA 0.656 56.578 56.100 -0.298 0.000 0.991 370 R CB -0.236 29.796 30.300 -0.447 0.000 0.883 370 R HN 0.518 nan 8.270 nan 0.000 0.457 371 Y N 1.722 121.931 120.300 -0.151 0.000 2.735 371 Y HA 0.040 4.590 4.550 -0.000 0.000 0.354 371 Y C 0.790 176.624 175.900 -0.109 0.000 1.288 371 Y CA -0.466 57.545 58.100 -0.150 0.000 1.836 371 Y CB -0.453 37.915 38.460 -0.154 0.000 1.920 371 Y HN -0.012 nan 8.280 nan 0.000 0.438 372 T N -2.367 112.167 114.554 -0.034 0.000 2.828 372 T HA 0.153 4.503 4.350 -0.000 0.000 0.290 372 T C -1.683 172.995 174.700 -0.037 0.000 1.019 372 T CA -1.954 60.142 62.100 -0.007 0.000 1.031 372 T CB 1.431 70.276 68.868 -0.038 0.000 1.001 372 T HN 0.089 nan 8.240 nan 0.000 0.531 373 P HA -0.063 nan 4.420 nan 0.000 0.218 373 P C 1.086 178.320 177.300 -0.110 0.000 1.148 373 P CA 0.906 64.006 63.100 -0.001 0.000 0.822 373 P CB 0.035 31.832 31.700 0.163 0.000 0.784 374 D N -1.154 119.202 120.400 -0.073 0.000 2.144 374 D HA -0.083 4.557 4.640 -0.000 0.000 0.200 374 D C 1.982 178.206 176.300 -0.128 0.000 0.978 374 D CA 0.966 54.915 54.000 -0.085 0.000 0.833 374 D CB -0.501 40.262 40.800 -0.062 0.000 0.961 374 D HN -0.005 nan 8.370 nan 0.000 0.470 375 V N 0.732 120.556 119.914 -0.151 0.000 2.427 375 V HA -0.175 3.944 4.120 -0.000 0.000 0.248 375 V C 2.641 178.603 176.094 -0.220 0.000 1.051 375 V CA 0.853 63.042 62.300 -0.185 0.000 1.048 375 V CB -0.224 31.468 31.823 -0.218 0.000 0.666 375 V HN 0.039 nan 8.190 nan 0.000 0.456 376 V N -0.085 119.654 119.914 -0.291 0.000 2.295 376 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 376 V C 2.432 178.338 176.094 -0.314 0.000 1.049 376 V CA 2.399 64.447 62.300 -0.420 0.000 1.024 376 V CB -0.530 30.720 31.823 -0.955 0.000 0.648 376 V HN 0.656 nan 8.190 nan 0.000 0.447 377 E N 0.333 120.378 120.200 -0.258 0.000 2.077 377 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 377 E C 2.063 178.598 176.600 -0.108 0.000 0.989 377 E CA 1.616 57.926 56.400 -0.149 0.000 0.800 377 E CB -0.139 29.501 29.700 -0.100 0.000 0.746 377 E HN 0.629 nan 8.360 nan 0.000 0.452 378 N N -0.045 118.585 118.700 -0.117 0.000 2.244 378 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 378 N C 1.606 177.059 175.510 -0.095 0.000 1.016 378 N CA 1.194 54.188 53.050 -0.093 0.000 0.866 378 N CB 0.082 38.511 38.487 -0.096 0.000 0.980 378 N HN 0.221 nan 8.380 nan 0.000 0.430 379 I N -1.176 119.311 120.570 -0.138 0.000 2.810 379 I HA -0.076 4.094 4.170 -0.000 0.000 0.262 379 I C 1.509 177.559 176.117 -0.113 0.000 1.131 379 I CA 0.304 61.512 61.300 -0.154 0.000 1.453 379 I CB 0.022 37.844 38.000 -0.297 0.000 1.161 379 I HN 0.194 nan 8.210 nan 0.000 0.444 380 C N 0.664 119.899 119.300 -0.109 0.000 2.485 380 C HA 0.267 4.727 4.460 -0.000 0.000 0.277 380 C C 2.012 177.001 174.990 -0.001 0.000 1.376 380 C CA 0.549 59.546 59.018 -0.035 0.000 1.759 380 C CB -0.678 27.068 27.740 0.010 0.000 1.970 380 C HN 0.793 nan 8.230 nan 0.000 0.509 381 G N 0.173 108.960 108.800 -0.023 0.000 2.176 381 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.253 381 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.253 381 G C 0.167 175.074 174.900 0.011 0.000 0.979 381 G CA 0.519 45.619 45.100 0.000 0.000 0.641 381 G HN 0.477 nan 8.290 nan 0.000 0.530 382 T N 3.506 118.069 114.554 0.015 0.000 2.769 382 T HA 0.452 4.802 4.350 -0.000 0.000 0.293 382 T C -2.009 172.701 174.700 0.017 0.000 0.931 382 T CA -0.375 61.754 62.100 0.048 0.000 1.139 382 T CB 1.434 70.388 68.868 0.142 0.000 0.881 382 T HN 0.136 nan 8.240 nan 0.000 0.532 383 P HA 0.113 nan 4.420 nan 0.000 0.266 383 P C 0.689 178.020 177.300 0.052 0.000 1.195 383 P CA -0.236 62.884 63.100 0.032 0.000 0.768 383 P CB 0.636 32.360 31.700 0.040 0.000 0.838 384 K N 2.586 123.010 120.400 0.041 0.000 2.113 384 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 384 K C 1.922 178.573 176.600 0.085 0.000 1.047 384 K CA 1.956 58.290 56.287 0.078 0.000 0.928 384 K CB -0.477 32.053 32.500 0.051 0.000 0.716 384 K HN 0.472 nan 8.250 nan 0.000 0.446 385 A N 1.602 124.453 122.820 0.052 0.000 1.930 385 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 385 A C 1.585 179.186 177.584 0.029 0.000 1.175 385 A CA 1.791 53.848 52.037 0.033 0.000 0.627 385 A CB -0.282 18.735 19.000 0.028 0.000 0.815 385 A HN 0.184 nan 8.150 nan 0.000 0.443 386 D N -1.112 119.320 120.400 0.054 0.000 2.103 386 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 386 D C 1.633 177.973 176.300 0.068 0.000 0.978 386 D CA 1.081 55.115 54.000 0.057 0.000 0.829 386 D CB -0.467 40.372 40.800 0.065 0.000 0.981 386 D HN 0.426 nan 8.370 nan 0.000 0.464 387 F N 1.693 121.589 119.950 -0.088 0.000 2.171 387 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 387 F C 2.059 177.715 175.800 -0.239 0.000 1.090 387 F CA 0.693 58.562 58.000 -0.219 0.000 1.293 387 F CB -0.351 38.462 39.000 -0.311 0.000 1.013 387 F HN -0.110 nan 8.300 nan 0.000 0.486 388 L N 0.798 121.878 121.223 -0.238 0.000 2.046 388 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 388 L C 2.279 178.955 176.870 -0.323 0.000 1.077 388 L CA 1.882 56.520 54.840 -0.337 0.000 0.747 388 L CB -0.937 41.051 42.059 -0.117 0.000 0.896 388 L HN 0.040 nan 8.230 nan 0.000 0.432 389 K N -1.092 119.200 120.400 -0.179 0.000 2.032 389 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 389 K C 1.933 178.430 176.600 -0.171 0.000 1.048 389 K CA 1.788 57.998 56.287 -0.128 0.000 0.927 389 K CB -0.374 32.095 32.500 -0.052 0.000 0.712 389 K HN 0.260 nan 8.250 nan 0.000 0.441 390 V N 0.849 120.651 119.914 -0.187 0.000 2.343 390 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 390 V C 2.413 178.321 176.094 -0.309 0.000 1.051 390 V CA 1.569 63.777 62.300 -0.154 0.000 1.036 390 V CB -0.469 31.373 31.823 0.031 0.000 0.654 390 V HN 0.458 nan 8.190 nan 0.000 0.451 391 C N -0.102 118.814 119.300 -0.640 0.000 2.413 391 C HA -0.167 4.292 4.460 -0.000 0.000 0.276 391 C C 2.716 177.334 174.990 -0.619 0.000 1.236 391 C CA 1.166 59.648 59.018 -0.893 0.000 1.735 391 C CB -0.989 25.705 27.740 -1.743 0.000 2.031 391 C HN 0.626 nan 8.230 nan 0.000 0.474 392 E N 0.147 120.069 120.200 -0.463 0.000 2.085 392 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 392 E C 2.144 178.687 176.600 -0.095 0.000 0.994 392 E CA 1.422 57.720 56.400 -0.170 0.000 0.801 392 E CB -0.171 29.468 29.700 -0.101 0.000 0.743 392 E HN 0.487 nan 8.360 nan 0.000 0.453 393 V N 1.420 121.266 119.914 -0.113 0.000 2.358 393 V HA -0.241 3.878 4.120 -0.000 0.000 0.246 393 V C 2.309 178.365 176.094 -0.063 0.000 1.047 393 V CA 1.400 63.657 62.300 -0.072 0.000 1.035 393 V CB -0.408 31.374 31.823 -0.068 0.000 0.658 393 V HN 0.261 nan 8.190 nan 0.000 0.452 394 L N 0.161 121.338 121.223 -0.077 0.000 2.046 394 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 394 L C 2.728 179.596 176.870 -0.002 0.000 1.077 394 L CA 1.588 56.407 54.840 -0.036 0.000 0.747 394 L CB -0.803 41.255 42.059 -0.001 0.000 0.896 394 L HN 0.367 nan 8.230 nan 0.000 0.432 395 A N 0.103 122.928 122.820 0.008 0.000 1.978 395 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 395 A C 2.468 180.073 177.584 0.035 0.000 1.170 395 A CA 1.849 53.928 52.037 0.070 0.000 0.636 395 A CB -0.666 18.449 19.000 0.191 0.000 0.810 395 A HN 0.546 nan 8.150 nan 0.000 0.448 396 S N -0.250 115.457 115.700 0.011 0.000 2.500 396 S HA -0.109 4.361 4.470 -0.000 0.000 0.239 396 S C 1.466 176.060 174.600 -0.010 0.000 0.989 396 S CA 1.621 59.822 58.200 0.001 0.000 0.951 396 S CB -1.095 62.100 63.200 -0.007 0.000 0.759 396 S HN 0.816 nan 8.310 nan 0.000 0.523 397 T N -0.460 114.084 114.554 -0.016 0.000 3.206 397 T HA 0.264 4.614 4.350 -0.000 0.000 0.253 397 T C 1.398 176.067 174.700 -0.052 0.000 1.042 397 T CA 0.261 62.343 62.100 -0.031 0.000 0.931 397 T CB -0.175 68.672 68.868 -0.035 0.000 1.029 397 T HN 0.496 nan 8.240 nan 0.000 0.564 398 S N 0.643 116.318 115.700 -0.041 0.000 2.527 398 S HA 0.459 4.929 4.470 -0.000 0.000 0.222 398 S C 1.195 175.740 174.600 -0.092 0.000 0.985 398 S CA -0.162 57.996 58.200 -0.071 0.000 0.921 398 S CB -0.391 62.791 63.200 -0.031 0.000 0.772 398 S HN 0.779 nan 8.310 nan 0.000 0.529 399 A N 3.460 126.247 122.820 -0.056 0.000 2.462 399 A HA 0.447 4.767 4.320 -0.000 0.000 0.243 399 A C -0.492 177.056 177.584 -0.059 0.000 1.076 399 A CA -1.309 50.706 52.037 -0.037 0.000 0.773 399 A CB 0.149 19.145 19.000 -0.007 0.000 1.010 399 A HN 0.316 nan 8.150 nan 0.000 0.493 400 P HA -0.155 nan 4.420 nan 0.000 0.218 400 P C 0.225 177.576 177.300 0.084 0.000 1.149 400 P CA 1.584 64.689 63.100 0.009 0.000 0.817 400 P CB -0.027 31.814 31.700 0.235 0.000 0.785 401 D N -1.246 119.200 120.400 0.076 0.000 2.427 401 D HA 0.093 4.733 4.640 -0.000 0.000 0.224 401 D C 0.393 176.714 176.300 0.035 0.000 1.157 401 D CA -0.273 53.772 54.000 0.075 0.000 0.828 401 D CB -0.139 40.707 40.800 0.077 0.000 0.974 401 D HN 0.118 nan 8.370 nan 0.000 0.498 402 R N -0.436 120.068 120.500 0.007 0.000 2.673 402 R HA 0.601 4.941 4.340 -0.000 0.000 0.281 402 R C -0.794 175.489 176.300 -0.028 0.000 0.991 402 R CA -0.586 55.509 56.100 -0.008 0.000 0.896 402 R CB 2.164 32.457 30.300 -0.012 0.000 1.201 402 R HN 0.174 nan 8.270 nan 0.000 0.457 403 T N -1.525 113.014 114.554 -0.026 0.000 2.903 403 T HA 0.539 4.889 4.350 -0.000 0.000 0.299 403 T C -0.359 174.318 174.700 -0.038 0.000 1.093 403 T CA -0.698 61.382 62.100 -0.033 0.000 1.002 403 T CB 2.201 71.056 68.868 -0.022 0.000 1.127 403 T HN 0.292 nan 8.240 nan 0.000 0.488 404 T N 1.567 116.100 114.554 -0.034 0.000 2.885 404 T HA 0.716 5.066 4.350 -0.000 0.000 0.285 404 T C -0.609 174.070 174.700 -0.035 0.000 1.019 404 T CA -0.543 61.510 62.100 -0.079 0.000 1.010 404 T CB 1.737 70.532 68.868 -0.122 0.000 1.022 404 T HN 0.913 nan 8.240 nan 0.000 0.466 405 T N 2.030 116.535 114.554 -0.082 0.000 2.861 405 T HA 0.688 5.038 4.350 -0.000 0.000 0.287 405 T C -1.438 173.249 174.700 -0.023 0.000 1.003 405 T CA -0.569 61.545 62.100 0.024 0.000 0.977 405 T CB 0.264 69.133 68.868 0.001 0.000 0.996 405 T HN 0.329 nan 8.240 nan 0.000 0.448 406 F N 4.128 124.146 119.950 0.112 0.000 2.420 406 F HA 0.634 5.161 4.527 -0.000 0.000 0.342 406 F C -0.332 175.550 175.800 0.138 0.000 1.113 406 F CA -0.911 57.189 58.000 0.167 0.000 1.059 406 F CB 1.411 40.597 39.000 0.310 0.000 1.128 406 F HN 0.277 nan 8.300 nan 0.000 0.475 407 L N 5.810 127.170 121.223 0.228 0.000 2.316 407 L HA 0.424 4.764 4.340 -0.000 0.000 0.280 407 L C -0.786 176.138 176.870 0.090 0.000 1.006 407 L CA -0.860 54.041 54.840 0.101 0.000 0.836 407 L CB 0.493 42.600 42.059 0.079 0.000 1.221 407 L HN 0.556 nan 8.230 nan 0.000 0.418 408 Y N 2.490 122.781 120.300 -0.015 0.000 2.655 408 Y HA 0.981 5.531 4.550 -0.000 0.000 0.336 408 Y C -0.436 175.513 175.900 0.081 0.000 1.154 408 Y CA -0.499 57.533 58.100 -0.114 0.000 1.055 408 Y CB 1.307 39.591 38.460 -0.292 0.000 1.295 408 Y HN 0.532 nan 8.280 nan 0.000 0.465 409 A N 0.969 123.925 122.820 0.227 0.000 2.493 409 A HA 0.333 4.653 4.320 -0.000 0.000 0.165 409 A C 0.550 178.263 177.584 0.215 0.000 1.265 409 A CA -0.096 52.060 52.037 0.198 0.000 2.312 409 A CB -0.574 18.548 19.000 0.203 0.000 2.748 409 A HN 0.815 nan 8.150 nan 0.000 1.115 410 L N 0.955 122.244 121.223 0.109 0.000 2.201 410 L HA 0.022 4.362 4.340 -0.000 0.000 0.212 410 L C 2.545 179.535 176.870 0.200 0.000 1.105 410 L CA 1.267 56.178 54.840 0.119 0.000 0.775 410 L CB -0.682 41.424 42.059 0.078 0.000 0.913 410 L HN 0.756 nan 8.230 nan 0.000 0.440 411 G N -0.651 108.249 108.800 0.167 0.000 2.479 411 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 411 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 411 G C 1.119 176.291 174.900 0.453 0.000 1.115 411 G CA 0.391 45.611 45.100 0.200 0.000 0.757 411 G HN 0.339 nan 8.290 nan 0.000 0.560 412 W N 0.321 121.775 121.300 0.257 0.000 2.777 412 W HA 0.148 4.808 4.660 -0.000 0.000 0.260 412 W C 2.793 179.465 176.519 0.256 0.000 1.194 412 W CA 1.052 58.503 57.345 0.176 0.000 1.447 412 W CB -0.909 28.526 29.460 -0.041 0.000 1.009 412 W HN 0.240 nan 8.180 nan 0.000 0.613 413 T N -1.144 113.676 114.554 0.443 0.000 2.857 413 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 413 T C 1.004 175.846 174.700 0.238 0.000 1.048 413 T CA 0.863 63.136 62.100 0.288 0.000 1.139 413 T CB -0.492 68.463 68.868 0.144 0.000 0.874 413 T HN 0.065 nan 8.240 nan 0.000 0.455 414 Q N 1.812 121.718 119.800 0.176 0.000 3.184 414 Q HA 0.296 4.636 4.340 -0.000 0.000 0.288 414 Q C -1.006 174.838 176.000 -0.261 0.000 1.412 414 Q CA -0.033 55.785 55.803 0.025 0.000 0.991 414 Q CB -0.240 28.567 28.738 0.115 0.000 1.688 414 Q HN 0.719 nan 8.270 nan 0.000 0.554 415 H N -2.083 117.049 119.070 0.104 0.000 3.008 415 H HA 0.106 4.661 4.556 -0.000 0.000 0.354 415 H C 0.795 176.152 175.328 0.049 0.000 1.252 415 H CA -0.543 55.558 56.048 0.088 0.000 1.117 415 H CB 1.330 31.159 29.762 0.111 0.000 1.857 415 H HN 0.219 nan 8.280 nan 0.000 0.547 416 T N -1.568 113.093 114.554 0.179 0.000 3.051 416 T HA -0.071 4.279 4.350 -0.000 0.000 0.269 416 T C 1.108 175.873 174.700 0.108 0.000 1.127 416 T CA 1.086 63.243 62.100 0.094 0.000 1.107 416 T CB -0.328 68.577 68.868 0.061 0.000 0.898 416 T HN 0.364 nan 8.240 nan 0.000 0.517 417 V N -2.153 117.851 119.914 0.150 0.000 2.988 417 V HA 0.700 4.820 4.120 -0.000 0.000 0.356 417 V C 1.933 178.074 176.094 0.079 0.000 1.380 417 V CA -0.353 62.014 62.300 0.113 0.000 1.184 417 V CB -0.468 31.424 31.823 0.116 0.000 1.204 417 V HN 0.282 nan 8.190 nan 0.000 0.530 418 G N 1.628 110.511 108.800 0.139 0.000 2.491 418 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 418 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 418 G C 1.601 176.535 174.900 0.057 0.000 1.180 418 G CA 1.485 46.674 45.100 0.150 0.000 0.774 418 G HN 0.927 nan 8.290 nan 0.000 0.562 419 A N -0.311 122.535 122.820 0.044 0.000 1.933 419 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 419 A C 2.379 179.917 177.584 -0.077 0.000 1.175 419 A CA 1.927 53.966 52.037 0.003 0.000 0.628 419 A CB -0.292 18.715 19.000 0.012 0.000 0.814 419 A HN 0.361 nan 8.150 nan 0.000 0.444 420 Q N -0.112 119.644 119.800 -0.073 0.000 2.230 420 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 420 Q C 1.542 177.402 176.000 -0.233 0.000 0.963 420 Q CA 0.878 56.606 55.803 -0.124 0.000 0.866 420 Q CB -0.428 28.285 28.738 -0.043 0.000 0.931 420 Q HN 0.638 nan 8.270 nan 0.000 0.452 421 N N 0.969 119.506 118.700 -0.272 0.000 2.084 421 N HA -0.098 4.642 4.740 -0.000 0.000 0.190 421 N C 1.930 176.994 175.510 -0.743 0.000 1.030 421 N CA 1.026 53.757 53.050 -0.531 0.000 0.849 421 N CB -0.251 37.913 38.487 -0.539 0.000 1.012 421 N HN 0.266 nan 8.380 nan 0.000 0.423 422 I N 0.862 121.112 120.570 -0.533 0.000 2.315 422 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 422 I C 2.350 178.214 176.117 -0.422 0.000 1.117 422 I CA 0.672 61.660 61.300 -0.520 0.000 1.404 422 I CB -0.088 37.770 38.000 -0.237 0.000 1.071 422 I HN 0.030 nan 8.210 nan 0.000 0.419 423 R N 0.591 120.892 120.500 -0.332 0.000 2.083 423 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 423 R C 2.331 178.442 176.300 -0.315 0.000 1.137 423 R CA 2.130 58.051 56.100 -0.298 0.000 0.951 423 R CB -1.268 28.886 30.300 -0.243 0.000 0.851 423 R HN 0.385 nan 8.270 nan 0.000 0.434 424 T N 1.811 116.150 114.554 -0.359 0.000 2.720 424 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 424 T C 1.759 176.234 174.700 -0.374 0.000 1.037 424 T CA 1.427 63.320 62.100 -0.344 0.000 1.144 424 T CB -0.183 68.460 68.868 -0.374 0.000 0.864 424 T HN 0.163 nan 8.240 nan 0.000 0.444 425 M N 1.826 121.096 119.600 -0.550 0.000 2.175 425 M HA 0.073 4.553 4.480 -0.000 0.000 0.264 425 M C 2.459 178.509 176.300 -0.417 0.000 1.063 425 M CA 1.837 56.763 55.300 -0.623 0.000 1.119 425 M CB -1.027 31.034 32.600 -0.898 0.000 1.377 425 M HN 0.277 nan 8.290 nan 0.000 0.415 426 A N 0.651 123.299 122.820 -0.286 0.000 1.933 426 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 426 A C 2.106 179.677 177.584 -0.021 0.000 1.175 426 A CA 1.849 53.836 52.037 -0.083 0.000 0.628 426 A CB -0.652 18.152 19.000 -0.327 0.000 0.814 426 A HN 0.633 nan 8.150 nan 0.000 0.444 427 M N -0.735 118.798 119.600 -0.110 0.000 2.159 427 M HA -0.065 4.415 4.480 -0.000 0.000 0.263 427 M C 2.009 178.314 176.300 0.008 0.000 1.063 427 M CA 1.394 56.672 55.300 -0.037 0.000 1.110 427 M CB -0.472 32.084 32.600 -0.074 0.000 1.374 427 M HN 0.384 nan 8.290 nan 0.000 0.411 428 I N -0.177 120.367 120.570 -0.043 0.000 2.179 428 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 428 I C 2.584 178.744 176.117 0.073 0.000 1.088 428 I CA 1.137 62.447 61.300 0.016 0.000 1.357 428 I CB -0.467 37.537 38.000 0.007 0.000 1.051 428 I HN 0.346 nan 8.210 nan 0.000 0.409 429 Q N 0.327 120.173 119.800 0.077 0.000 2.226 429 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 429 Q C 2.324 178.363 176.000 0.065 0.000 0.975 429 Q CA 1.300 57.177 55.803 0.125 0.000 0.866 429 Q CB -0.143 28.708 28.738 0.187 0.000 0.915 429 Q HN 0.570 nan 8.270 nan 0.000 0.440 430 L N -0.546 120.756 121.223 0.133 0.000 2.095 430 L HA -0.151 4.189 4.340 -0.000 0.000 0.204 430 L C 2.078 178.998 176.870 0.082 0.000 1.080 430 L CA 0.337 55.287 54.840 0.183 0.000 0.759 430 L CB -0.312 41.904 42.059 0.260 0.000 0.914 430 L HN 0.170 nan 8.230 nan 0.000 0.439 431 L N -0.418 120.860 121.223 0.092 0.000 2.083 431 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 431 L C 2.203 179.052 176.870 -0.034 0.000 1.083 431 L CA 1.677 56.574 54.840 0.096 0.000 0.752 431 L CB -0.467 41.684 42.059 0.152 0.000 0.899 431 L HN 0.172 nan 8.230 nan 0.000 0.433 432 L N -1.096 120.078 121.223 -0.081 0.000 2.492 432 L HA 0.145 4.485 4.340 -0.000 0.000 0.223 432 L C 1.337 177.976 176.870 -0.386 0.000 1.132 432 L CA 0.547 55.297 54.840 -0.149 0.000 0.850 432 L CB -0.648 41.381 42.059 -0.050 0.000 0.966 432 L HN 0.482 nan 8.230 nan 0.000 0.454 433 G N 0.707 109.089 108.800 -0.696 0.000 2.198 433 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 433 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 433 G C 0.434 174.751 174.900 -0.971 0.000 1.042 433 G CA 0.376 44.519 45.100 -1.595 0.000 0.791 433 G HN 0.402 nan 8.290 nan 0.000 0.502 434 N N -0.619 117.796 118.700 -0.475 0.000 2.280 434 N HA 0.148 4.888 4.740 -0.000 0.000 0.192 434 N C 1.016 176.508 175.510 -0.030 0.000 1.109 434 N CA 0.249 53.194 53.050 -0.173 0.000 0.855 434 N CB 0.062 38.519 38.487 -0.050 0.000 0.974 434 N HN 0.364 nan 8.380 nan 0.000 0.482 435 M N -0.260 119.361 119.600 0.035 0.000 2.217 435 M HA 0.245 4.725 4.480 -0.000 0.000 0.354 435 M C 1.420 177.825 176.300 0.175 0.000 1.225 435 M CA 0.319 55.688 55.300 0.113 0.000 1.137 435 M CB 0.159 32.826 32.600 0.113 0.000 1.576 435 M HN 0.367 nan 8.290 nan 0.000 0.461 436 G N 2.362 111.220 108.800 0.096 0.000 2.176 436 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.253 436 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.253 436 G C 0.175 175.101 174.900 0.043 0.000 0.979 436 G CA -0.257 44.866 45.100 0.038 0.000 0.641 436 G HN 0.522 nan 8.290 nan 0.000 0.530 437 M N 1.056 120.695 119.600 0.065 0.000 2.277 437 M HA 0.656 5.136 4.480 -0.000 0.000 0.350 437 M C 0.780 177.084 176.300 0.006 0.000 1.180 437 M CA -0.528 54.809 55.300 0.062 0.000 1.103 437 M CB 1.212 33.853 32.600 0.068 0.000 1.577 437 M HN 0.561 nan 8.290 nan 0.000 0.459 438 A N 1.688 124.510 122.820 0.004 0.000 2.454 438 A HA 0.503 4.823 4.320 -0.000 0.000 0.260 438 A C 1.157 178.718 177.584 -0.038 0.000 1.106 438 A CA 0.595 52.611 52.037 -0.035 0.000 0.780 438 A CB -0.532 18.457 19.000 -0.018 0.000 1.044 438 A HN 1.256 nan 8.150 nan 0.000 0.498 439 G N 1.324 110.079 108.800 -0.075 0.000 2.157 439 G HA2 0.035 3.994 3.960 -0.000 0.000 0.248 439 G HA3 0.035 3.994 3.960 -0.000 0.000 0.248 439 G C 0.782 175.659 174.900 -0.038 0.000 0.979 439 G CA 0.633 45.699 45.100 -0.058 0.000 0.650 439 G HN 1.827 nan 8.290 nan 0.000 0.529 440 G N -1.200 107.583 108.800 -0.029 0.000 3.286 440 G HA2 0.890 4.850 3.960 -0.000 0.000 0.166 440 G HA3 0.890 4.850 3.960 -0.000 0.000 0.166 440 G C 1.073 175.987 174.900 0.023 0.000 1.155 440 G CA 1.040 46.144 45.100 0.005 0.000 0.871 440 G HN 2.031 nan 8.290 nan 0.000 0.637 441 G N -2.190 106.643 108.800 0.055 0.000 2.750 441 G HA2 0.112 4.072 3.960 -0.000 0.000 0.228 441 G HA3 0.112 4.072 3.960 -0.000 0.000 0.228 441 G C -0.617 174.382 174.900 0.165 0.000 1.367 441 G CA -0.071 45.070 45.100 0.069 0.000 0.871 441 G HN 1.467 nan 8.290 nan 0.000 0.560 442 V N 1.781 121.802 119.914 0.177 0.000 2.304 442 V HA 0.371 4.491 4.120 -0.000 0.000 0.278 442 V C -0.225 175.963 176.094 0.158 0.000 1.018 442 V CA -0.969 61.507 62.300 0.293 0.000 0.814 442 V CB 1.439 33.531 31.823 0.447 0.000 1.021 442 V HN 0.603 nan 8.190 nan 0.000 0.440 443 N N 4.394 123.143 118.700 0.083 0.000 2.868 443 N HA 0.304 5.043 4.740 -0.000 0.000 0.252 443 N C 0.340 175.693 175.510 -0.263 0.000 1.130 443 N CA -0.046 52.915 53.050 -0.147 0.000 1.026 443 N CB 1.643 39.991 38.487 -0.231 0.000 1.335 443 N HN 0.757 nan 8.380 nan 0.000 0.516 444 A N 3.280 125.903 122.820 -0.329 0.000 2.544 444 A HA 0.210 4.530 4.320 -0.000 0.000 0.301 444 A C 0.651 177.892 177.584 -0.571 0.000 1.368 444 A CA -0.395 51.221 52.037 -0.703 0.000 1.045 444 A CB -0.411 18.340 19.000 -0.415 0.000 1.129 444 A HN 0.590 nan 8.150 nan 0.000 0.540 445 L N 3.356 124.280 121.223 -0.498 0.000 2.530 445 L HA 0.163 4.503 4.340 -0.000 0.000 0.273 445 L C 0.771 177.583 176.870 -0.097 0.000 1.141 445 L CA -0.500 54.087 54.840 -0.421 0.000 0.905 445 L CB -0.164 41.483 42.059 -0.685 0.000 1.202 445 L HN 0.594 nan 8.230 nan 0.000 0.473 446 R N 1.836 122.299 120.500 -0.062 0.000 2.827 446 R HA 0.193 4.533 4.340 -0.000 0.000 0.269 446 R C 0.982 177.537 176.300 0.425 0.000 1.048 446 R CA 0.604 56.785 56.100 0.135 0.000 1.173 446 R CB 0.463 30.833 30.300 0.117 0.000 1.070 446 R HN 0.679 nan 8.270 nan 0.000 0.498 447 G N 0.623 109.673 108.800 0.417 0.000 2.618 447 G HA2 -0.034 3.925 3.960 -0.000 0.000 0.222 447 G HA3 -0.034 3.925 3.960 -0.000 0.000 0.222 447 G C -0.163 174.953 174.900 0.359 0.000 1.520 447 G CA 0.029 45.350 45.100 0.369 0.000 0.930 447 G HN 0.503 nan 8.290 nan 0.000 0.547 448 H N 1.023 120.321 119.070 0.381 0.000 2.929 448 H HA 0.021 4.577 4.556 -0.000 0.000 0.358 448 H C 2.276 177.751 175.328 0.246 0.000 1.111 448 H CA 0.836 57.117 56.048 0.388 0.000 1.409 448 H CB 1.287 31.252 29.762 0.338 0.000 1.373 448 H HN 0.394 nan 8.280 nan 0.000 0.610 449 S N 1.833 117.717 115.700 0.306 0.000 2.402 449 S HA -0.242 4.228 4.470 -0.000 0.000 0.233 449 S C 1.220 175.941 174.600 0.202 0.000 1.030 449 S CA 1.815 60.109 58.200 0.156 0.000 1.003 449 S CB 0.068 63.284 63.200 0.026 0.000 0.813 449 S HN 0.650 nan 8.310 nan 0.000 0.477 450 N N -0.286 118.554 118.700 0.234 0.000 2.451 450 N HA 0.360 5.100 4.740 -0.000 0.000 0.271 450 N C 0.481 176.126 175.510 0.225 0.000 1.410 450 N CA -0.164 53.014 53.050 0.215 0.000 0.884 450 N CB -0.061 38.529 38.487 0.171 0.000 1.332 450 N HN 0.479 nan 8.380 nan 0.000 0.498 451 I N -0.062 120.672 120.570 0.273 0.000 2.493 451 I HA -0.191 3.979 4.170 -0.000 0.000 0.254 451 I C 1.993 178.266 176.117 0.259 0.000 1.160 451 I CA 1.168 62.625 61.300 0.262 0.000 1.445 451 I CB 0.314 38.508 38.000 0.323 0.000 1.086 451 I HN 0.208 nan 8.210 nan 0.000 0.433 452 Q N 1.019 120.986 119.800 0.278 0.000 2.084 452 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 452 Q C 2.051 178.255 176.000 0.340 0.000 0.978 452 Q CA 2.252 58.247 55.803 0.321 0.000 0.844 452 Q CB -0.879 28.059 28.738 0.334 0.000 0.898 452 Q HN 0.524 nan 8.270 nan 0.000 0.426 453 G N -0.049 108.938 108.800 0.312 0.000 2.418 453 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 453 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 453 G C 1.180 176.195 174.900 0.192 0.000 1.158 453 G CA 0.861 46.147 45.100 0.310 0.000 0.771 453 G HN 0.367 nan 8.290 nan 0.000 0.545 454 L N 0.865 122.185 121.223 0.161 0.000 2.201 454 L HA 0.044 4.384 4.340 -0.000 0.000 0.212 454 L C 3.039 179.955 176.870 0.077 0.000 1.105 454 L CA 1.618 56.522 54.840 0.106 0.000 0.775 454 L CB -0.491 41.635 42.059 0.113 0.000 0.913 454 L HN 0.144 nan 8.230 nan 0.000 0.440 455 T N -1.377 113.250 114.554 0.122 0.000 2.812 455 T HA -0.124 4.226 4.350 -0.000 0.000 0.264 455 T C 1.422 176.048 174.700 -0.123 0.000 1.042 455 T CA 1.210 63.371 62.100 0.101 0.000 1.140 455 T CB -0.177 68.847 68.868 0.259 0.000 0.870 455 T HN 0.268 nan 8.240 nan 0.000 0.445 456 D N 1.511 121.859 120.400 -0.086 0.000 2.123 456 D HA -0.034 4.606 4.640 -0.000 0.000 0.196 456 D C 1.852 177.814 176.300 -0.562 0.000 0.992 456 D CA 0.880 54.621 54.000 -0.431 0.000 0.833 456 D CB -0.314 40.333 40.800 -0.255 0.000 0.954 456 D HN 0.326 nan 8.370 nan 0.000 0.455 457 L N -0.456 120.590 121.223 -0.294 0.000 2.610 457 L HA 0.134 4.474 4.340 -0.000 0.000 0.232 457 L C 1.248 178.032 176.870 -0.143 0.000 1.149 457 L CA 0.351 55.056 54.840 -0.224 0.000 0.872 457 L CB -0.238 41.772 42.059 -0.082 0.000 0.992 457 L HN 0.109 nan 8.230 nan 0.000 0.447 458 G N 0.532 109.232 108.800 -0.168 0.000 2.182 458 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 458 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 458 G C 0.176 175.087 174.900 0.018 0.000 1.042 458 G CA -0.433 44.621 45.100 -0.078 0.000 0.775 458 G HN 0.118 nan 8.290 nan 0.000 0.501 459 L N 0.349 121.594 121.223 0.035 0.000 2.533 459 L HA 0.486 4.826 4.340 -0.000 0.000 0.239 459 L C 0.758 177.682 176.870 0.089 0.000 1.376 459 L CA 0.670 55.552 54.840 0.069 0.000 1.240 459 L CB -0.848 41.257 42.059 0.076 0.000 1.487 459 L HN 0.312 nan 8.230 nan 0.000 0.419 460 L N -1.047 120.222 121.223 0.077 0.000 2.409 460 L HA 0.308 4.648 4.340 -0.000 0.000 0.262 460 L C 1.517 178.421 176.870 0.057 0.000 0.992 460 L CA -0.260 54.628 54.840 0.080 0.000 0.817 460 L CB 2.252 44.360 42.059 0.082 0.000 1.350 460 L HN 0.130 nan 8.230 nan 0.000 0.411 461 S N 0.981 116.710 115.700 0.047 0.000 2.426 461 S HA -0.298 4.171 4.470 -0.000 0.000 0.259 461 S C 1.420 176.028 174.600 0.013 0.000 1.096 461 S CA 2.890 61.113 58.200 0.039 0.000 1.219 461 S CB -0.190 63.033 63.200 0.038 0.000 1.124 461 S HN 0.889 nan 8.310 nan 0.000 0.436 462 T N -1.196 113.299 114.554 -0.099 0.000 3.145 462 T HA 0.476 4.826 4.350 -0.000 0.000 0.255 462 T C 0.361 175.067 174.700 0.009 0.000 1.039 462 T CA -0.124 61.865 62.100 -0.186 0.000 0.928 462 T CB 0.196 68.600 68.868 -0.773 0.000 1.029 462 T HN 0.201 nan 8.240 nan 0.000 0.554 463 S N 0.840 116.577 115.700 0.063 0.000 2.687 463 S HA 0.776 5.246 4.470 -0.000 0.000 0.283 463 S C -0.383 174.315 174.600 0.162 0.000 1.170 463 S CA -0.772 57.496 58.200 0.114 0.000 1.008 463 S CB 1.152 64.389 63.200 0.062 0.000 1.026 463 S HN 0.385 nan 8.310 nan 0.000 0.541 464 L N 1.248 122.577 121.223 0.178 0.000 2.303 464 L HA 0.530 4.870 4.340 -0.000 0.000 0.256 464 L C -2.588 174.326 176.870 0.072 0.000 1.034 464 L CA -2.777 52.183 54.840 0.200 0.000 0.832 464 L CB 2.193 44.442 42.059 0.315 0.000 1.403 464 L HN 0.358 nan 8.230 nan 0.000 0.419 465 P HA 0.098 nan 4.420 nan 0.000 0.268 465 P C 0.298 177.509 177.300 -0.149 0.000 1.208 465 P CA 0.536 63.553 63.100 -0.137 0.000 0.777 465 P CB 0.506 32.127 31.700 -0.132 0.000 0.875 466 G N 1.646 110.204 108.800 -0.404 0.000 2.176 466 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.252 466 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.252 466 G C 0.000 174.988 174.900 0.147 0.000 1.024 466 G CA 0.100 44.974 45.100 -0.377 0.000 0.755 466 G HN 0.498 nan 8.290 nan 0.000 0.507 467 Y N -3.239 117.137 120.300 0.128 0.000 3.929 467 Y HA -0.233 4.317 4.550 -0.000 0.000 0.225 467 Y C 1.429 177.537 175.900 0.347 0.000 1.200 467 Y CA 0.929 59.192 58.100 0.271 0.000 1.791 467 Y CB -2.027 36.664 38.460 0.385 0.000 1.561 467 Y HN 0.553 nan 8.280 nan 0.000 0.657 468 L N -0.489 120.961 121.223 0.378 0.000 2.431 468 L HA 0.619 4.958 4.340 -0.000 0.000 0.260 468 L C 0.820 177.930 176.870 0.399 0.000 1.098 468 L CA -0.497 54.606 54.840 0.439 0.000 0.800 468 L CB 1.275 43.565 42.059 0.385 0.000 1.210 468 L HN 0.045 nan 8.230 nan 0.000 0.465 469 T N 1.029 115.889 114.554 0.510 0.000 2.876 469 T HA 0.476 4.826 4.350 -0.000 0.000 0.289 469 T C -0.147 174.917 174.700 0.606 0.000 1.014 469 T CA -0.614 61.756 62.100 0.449 0.000 0.986 469 T CB 1.777 70.861 68.868 0.360 0.000 1.021 469 T HN 0.252 nan 8.240 nan 0.000 0.458 470 L N 3.313 124.865 121.223 0.548 0.000 2.473 470 L HA 0.269 4.609 4.340 -0.000 0.000 0.268 470 L C -2.019 175.227 176.870 0.627 0.000 1.215 470 L CA -1.799 53.369 54.840 0.547 0.000 0.823 470 L CB 0.260 42.633 42.059 0.523 0.000 1.099 470 L HN 0.358 nan 8.230 nan 0.000 0.483 471 P HA 0.056 nan 4.420 nan 0.000 0.271 471 P C -0.907 176.234 177.300 -0.265 0.000 1.216 471 P CA -0.392 62.769 63.100 0.102 0.000 0.776 471 P CB 0.903 32.467 31.700 -0.226 0.000 0.881 472 S N 0.921 116.296 115.700 -0.543 0.000 2.632 472 S HA 0.129 4.599 4.470 -0.000 0.000 0.271 472 S C 1.157 175.407 174.600 -0.582 0.000 1.260 472 S CA -0.435 56.967 58.200 -1.331 0.000 1.010 472 S CB 0.605 62.960 63.200 -1.408 0.000 0.965 472 S HN 0.588 nan 8.310 nan 0.000 0.534 473 E N 0.713 120.625 120.200 -0.479 0.000 2.472 473 E HA -0.100 4.250 4.350 -0.000 0.000 0.200 473 E C 1.148 177.659 176.600 -0.149 0.000 1.046 473 E CA 0.734 57.004 56.400 -0.216 0.000 0.871 473 E CB -0.272 29.351 29.700 -0.128 0.000 0.806 473 E HN 0.706 nan 8.360 nan 0.000 0.533 474 K N 0.367 120.656 120.400 -0.185 0.000 2.400 474 K HA 0.046 4.366 4.320 -0.000 0.000 0.194 474 K C 0.316 176.876 176.600 -0.066 0.000 1.033 474 K CA 0.217 56.438 56.287 -0.109 0.000 1.021 474 K CB 0.327 32.757 32.500 -0.117 0.000 0.808 474 K HN 0.137 nan 8.250 nan 0.000 0.505 475 Q N 1.558 121.326 119.800 -0.054 0.000 2.566 475 Q HA 0.037 4.376 4.340 -0.000 0.000 0.221 475 Q C 0.979 177.042 176.000 0.105 0.000 1.195 475 Q CA -0.350 55.474 55.803 0.036 0.000 0.967 475 Q CB 0.958 29.765 28.738 0.115 0.000 1.337 475 Q HN 0.114 nan 8.270 nan 0.000 0.553 476 V N -1.232 118.716 119.914 0.055 0.000 2.970 476 V HA -0.072 4.048 4.120 -0.000 0.000 0.260 476 V C 0.146 176.304 176.094 0.107 0.000 1.100 476 V CA 1.135 63.481 62.300 0.077 0.000 1.122 476 V CB -0.489 31.349 31.823 0.024 0.000 0.721 476 V HN 0.645 nan 8.190 nan 0.000 0.483 477 D N -2.319 118.080 120.400 -0.001 0.000 2.596 477 D HA 0.279 4.919 4.640 -0.000 0.000 0.262 477 D C 0.383 176.330 176.300 -0.587 0.000 1.210 477 D CA -0.456 53.418 54.000 -0.210 0.000 0.873 477 D CB 1.355 42.077 40.800 -0.131 0.000 1.408 477 D HN -0.080 nan 8.370 nan 0.000 0.441 478 L N 0.322 121.042 121.223 -0.839 0.000 2.043 478 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 478 L C 2.298 179.024 176.870 -0.241 0.000 1.075 478 L CA 2.283 56.703 54.840 -0.700 0.000 0.752 478 L CB -0.774 41.103 42.059 -0.303 0.000 0.891 478 L HN 0.735 nan 8.230 nan 0.000 0.432 479 Q N -1.437 118.266 119.800 -0.161 0.000 2.061 479 Q HA -0.251 4.088 4.340 -0.000 0.000 0.204 479 Q C 2.378 178.324 176.000 -0.091 0.000 0.984 479 Q CA 2.213 57.964 55.803 -0.087 0.000 0.846 479 Q CB -0.271 28.426 28.738 -0.068 0.000 0.902 479 Q HN 0.607 nan 8.270 nan 0.000 0.421 480 S N -0.815 114.830 115.700 -0.092 0.000 2.382 480 S HA -0.194 4.275 4.470 -0.000 0.000 0.228 480 S C 1.746 176.309 174.600 -0.062 0.000 1.027 480 S CA 1.196 59.355 58.200 -0.068 0.000 0.991 480 S CB -0.523 62.651 63.200 -0.044 0.000 0.823 480 S HN 0.654 nan 8.310 nan 0.000 0.469 481 Y N 1.966 122.158 120.300 -0.179 0.000 2.114 481 Y HA -0.029 4.520 4.550 -0.000 0.000 0.284 481 Y C 1.875 177.648 175.900 -0.212 0.000 1.143 481 Y CA 1.752 59.759 58.100 -0.156 0.000 1.135 481 Y CB -0.566 37.823 38.460 -0.119 0.000 0.980 481 Y HN 0.244 nan 8.280 nan 0.000 0.499 482 L N 0.067 121.095 121.223 -0.325 0.000 2.046 482 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 482 L C 2.390 179.049 176.870 -0.352 0.000 1.077 482 L CA 1.794 56.405 54.840 -0.382 0.000 0.747 482 L CB -0.629 41.368 42.059 -0.102 0.000 0.896 482 L HN 0.276 nan 8.230 nan 0.000 0.432 483 E N 0.280 120.344 120.200 -0.227 0.000 2.118 483 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 483 E C 2.265 178.731 176.600 -0.223 0.000 0.992 483 E CA 1.190 57.481 56.400 -0.181 0.000 0.804 483 E CB -0.174 29.456 29.700 -0.117 0.000 0.741 483 E HN 0.510 nan 8.360 nan 0.000 0.458 484 A N 1.288 123.950 122.820 -0.264 0.000 2.015 484 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 484 A C 1.702 179.070 177.584 -0.359 0.000 1.163 484 A CA 0.993 52.879 52.037 -0.251 0.000 0.646 484 A CB -0.041 18.840 19.000 -0.198 0.000 0.806 484 A HN 0.123 nan 8.150 nan 0.000 0.448 485 N N -0.589 117.749 118.700 -0.603 0.000 2.236 485 N HA 0.028 4.768 4.740 -0.000 0.000 0.196 485 N C -0.615 174.424 175.510 -0.785 0.000 1.114 485 N CA 0.344 52.870 53.050 -0.872 0.000 0.859 485 N CB 0.625 38.156 38.487 -1.593 0.000 0.982 485 N HN 0.220 nan 8.380 nan 0.000 0.493 486 T N 3.800 118.079 114.554 -0.459 0.000 2.874 486 T HA 0.277 4.626 4.350 -0.000 0.000 0.321 486 T C -2.390 172.248 174.700 -0.104 0.000 1.075 486 T CA -1.146 60.833 62.100 -0.201 0.000 0.966 486 T CB 2.115 70.903 68.868 -0.134 0.000 1.001 486 T HN 0.067 nan 8.240 nan 0.000 0.476 487 P HA 0.230 nan 4.420 nan 0.000 0.275 487 P C -0.447 176.888 177.300 0.058 0.000 1.227 487 P CA -0.716 62.394 63.100 0.017 0.000 0.781 487 P CB 0.972 32.710 31.700 0.064 0.000 0.906 488 K N 1.548 121.980 120.400 0.053 0.000 2.144 488 K HA 0.617 4.937 4.320 -0.000 0.000 0.270 488 K C 0.026 176.705 176.600 0.132 0.000 1.005 488 K CA -0.914 55.420 56.287 0.078 0.000 0.932 488 K CB 0.797 33.328 32.500 0.052 0.000 1.021 488 K HN 0.404 nan 8.250 nan 0.000 0.462 489 A N 1.666 124.589 122.820 0.171 0.000 2.462 489 A HA 0.116 4.436 4.320 -0.000 0.000 0.243 489 A C 0.895 178.653 177.584 0.290 0.000 1.076 489 A CA -0.024 52.137 52.037 0.206 0.000 0.773 489 A CB -0.049 19.064 19.000 0.188 0.000 1.010 489 A HN 0.887 nan 8.150 nan 0.000 0.493 490 T N -0.200 114.500 114.554 0.243 0.000 3.054 490 T HA 0.505 4.855 4.350 -0.000 0.000 0.255 490 T C 0.166 175.011 174.700 0.243 0.000 1.035 490 T CA 0.074 62.355 62.100 0.302 0.000 0.941 490 T CB -0.495 68.533 68.868 0.267 0.000 1.026 490 T HN 0.401 nan 8.240 nan 0.000 0.533 491 L N 0.661 121.868 121.223 -0.026 0.000 2.466 491 L HA 0.741 5.081 4.340 -0.000 0.000 0.258 491 L C -0.416 176.023 176.870 -0.719 0.000 0.973 491 L CA -1.511 53.102 54.840 -0.377 0.000 0.826 491 L CB 2.097 44.056 42.059 -0.166 0.000 1.372 491 L HN 0.155 nan 8.230 nan 0.000 0.409 492 A N 0.378 122.590 122.820 -1.014 0.000 2.332 492 A HA 0.388 4.707 4.320 -0.000 0.000 0.258 492 A C 0.069 177.499 177.584 -0.256 0.000 1.087 492 A CA 0.104 51.731 52.037 -0.684 0.000 0.802 492 A CB 0.093 18.786 19.000 -0.512 0.000 1.042 492 A HN 0.931 nan 8.150 nan 0.000 0.489 493 D N -0.561 119.763 120.400 -0.126 0.000 2.800 493 D HA -0.103 4.537 4.640 -0.000 0.000 0.232 493 D C -0.361 175.925 176.300 -0.023 0.000 1.137 493 D CA 1.160 55.131 54.000 -0.049 0.000 0.718 493 D CB -0.849 39.929 40.800 -0.037 0.000 1.084 493 D HN 0.559 nan 8.370 nan 0.000 0.432 494 Q N -0.434 119.359 119.800 -0.012 0.000 2.248 494 Q HA 0.427 4.767 4.340 -0.000 0.000 0.263 494 Q C 1.638 177.670 176.000 0.054 0.000 1.007 494 Q CA -0.768 55.055 55.803 0.033 0.000 0.877 494 Q CB 1.849 30.620 28.738 0.055 0.000 1.315 494 Q HN -0.047 nan 8.270 nan 0.000 0.454 495 V N 1.036 120.992 119.914 0.069 0.000 2.307 495 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 495 V C 0.808 177.003 176.094 0.168 0.000 1.045 495 V CA 1.591 63.952 62.300 0.100 0.000 1.024 495 V CB -0.719 31.158 31.823 0.090 0.000 0.651 495 V HN 1.011 nan 8.190 nan 0.000 0.449 496 N N -1.034 117.781 118.700 0.191 0.000 2.689 496 N HA -0.306 4.434 4.740 -0.000 0.000 0.263 496 N C 0.301 175.951 175.510 0.232 0.000 0.987 496 N CA 0.491 53.673 53.050 0.220 0.000 0.782 496 N CB -1.553 37.037 38.487 0.172 0.000 0.903 496 N HN 0.542 nan 8.380 nan 0.000 0.547 497 Y N -0.797 119.573 120.300 0.117 0.000 2.384 497 Y HA -0.111 4.439 4.550 -0.000 0.000 0.289 497 Y C 1.403 177.346 175.900 0.070 0.000 1.152 497 Y CA 1.672 59.809 58.100 0.062 0.000 1.258 497 Y CB -0.266 38.206 38.460 0.019 0.000 0.979 497 Y HN 0.568 nan 8.280 nan 0.000 0.549 498 W N -0.150 121.270 121.300 0.199 0.000 2.848 498 W HA -0.127 4.533 4.660 -0.000 0.000 0.241 498 W C 2.454 178.973 176.519 0.001 0.000 1.289 498 W CA 0.733 58.175 57.345 0.163 0.000 1.396 498 W CB -0.208 29.389 29.460 0.229 0.000 1.138 498 W HN 0.146 nan 8.180 nan 0.000 0.677 499 S N -0.641 115.128 115.700 0.115 0.000 2.507 499 S HA -0.145 4.325 4.470 -0.000 0.000 0.235 499 S C 1.304 175.819 174.600 -0.142 0.000 0.988 499 S CA 0.861 59.064 58.200 0.005 0.000 0.944 499 S CB -0.428 62.760 63.200 -0.019 0.000 0.762 499 S HN 0.300 nan 8.310 nan 0.000 0.526 500 N N 0.253 118.743 118.700 -0.350 0.000 2.383 500 N HA 0.086 4.826 4.740 -0.000 0.000 0.192 500 N C 0.763 175.703 175.510 -0.950 0.000 1.141 500 N CA 0.104 52.729 53.050 -0.708 0.000 0.851 500 N CB -0.298 37.534 38.487 -1.092 0.000 0.976 500 N HN 0.511 nan 8.380 nan 0.000 0.465 501 Y N 2.753 122.771 120.300 -0.470 0.000 2.096 501 Y HA -0.193 4.357 4.550 -0.000 0.000 0.278 501 Y C -0.755 174.996 175.900 -0.247 0.000 1.192 501 Y CA 2.052 60.027 58.100 -0.208 0.000 1.143 501 Y CB -1.025 37.458 38.460 0.038 0.000 0.963 501 Y HN 0.120 nan 8.280 nan 0.000 0.505 502 P HA -0.182 nan 4.420 nan 0.000 0.216 502 P C 1.056 178.277 177.300 -0.132 0.000 1.150 502 P CA 2.433 65.549 63.100 0.026 0.000 0.837 502 P CB -0.054 31.650 31.700 0.007 0.000 0.786 503 K N -1.545 118.631 120.400 -0.374 0.000 2.097 503 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 503 K C 1.819 178.277 176.600 -0.235 0.000 1.050 503 K CA 1.311 57.392 56.287 -0.344 0.000 0.938 503 K CB -0.568 31.676 32.500 -0.427 0.000 0.718 503 K HN 0.129 nan 8.250 nan 0.000 0.442 504 F N 0.122 119.905 119.950 -0.278 0.000 2.163 504 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 504 F C 2.192 177.880 175.800 -0.186 0.000 1.094 504 F CA 0.275 58.082 58.000 -0.321 0.000 1.290 504 F CB -1.081 37.498 39.000 -0.701 0.000 1.017 504 F HN -0.066 nan 8.300 nan 0.000 0.483 505 F N 0.791 120.659 119.950 -0.137 0.000 2.113 505 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 505 F C 2.276 178.053 175.800 -0.038 0.000 1.103 505 F CA 1.252 59.232 58.000 -0.032 0.000 1.248 505 F CB -0.672 38.413 39.000 0.143 0.000 0.999 505 F HN -0.220 nan 8.300 nan 0.000 0.475 506 V N -0.481 119.323 119.914 -0.185 0.000 2.407 506 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 506 V C 2.449 178.289 176.094 -0.424 0.000 1.055 506 V CA 2.086 64.097 62.300 -0.483 0.000 1.049 506 V CB -0.984 30.421 31.823 -0.697 0.000 0.662 506 V HN 0.354 nan 8.190 nan 0.000 0.455 507 S N -0.026 115.516 115.700 -0.263 0.000 2.402 507 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 507 S C 1.843 176.322 174.600 -0.202 0.000 1.021 507 S CA 1.490 59.589 58.200 -0.168 0.000 0.974 507 S CB -0.317 62.861 63.200 -0.035 0.000 0.800 507 S HN 0.479 nan 8.310 nan 0.000 0.484 508 L N 1.442 122.491 121.223 -0.289 0.000 2.056 508 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 508 L C 2.008 178.532 176.870 -0.577 0.000 1.078 508 L CA 1.713 56.273 54.840 -0.467 0.000 0.749 508 L CB -0.585 41.179 42.059 -0.491 0.000 0.901 508 L HN 0.181 nan 8.230 nan 0.000 0.433 509 M N -0.626 118.700 119.600 -0.457 0.000 2.159 509 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 509 M C 2.083 178.417 176.300 0.057 0.000 1.063 509 M CA 1.356 56.576 55.300 -0.133 0.000 1.110 509 M CB -1.159 31.420 32.600 -0.036 0.000 1.374 509 M HN 0.189 nan 8.290 nan 0.000 0.411 510 K N -0.349 120.031 120.400 -0.032 0.000 2.148 510 K HA -0.026 4.293 4.320 -0.000 0.000 0.204 510 K C 2.281 178.901 176.600 0.033 0.000 1.050 510 K CA 1.099 57.419 56.287 0.054 0.000 0.942 510 K CB -0.696 31.799 32.500 -0.010 0.000 0.724 510 K HN 0.295 nan 8.250 nan 0.000 0.446 511 S N 0.177 115.842 115.700 -0.058 0.000 2.368 511 S HA -0.068 4.402 4.470 -0.000 0.000 0.224 511 S C 1.824 176.452 174.600 0.048 0.000 1.029 511 S CA 0.684 58.864 58.200 -0.032 0.000 0.988 511 S CB -0.125 63.019 63.200 -0.095 0.000 0.838 511 S HN 0.116 nan 8.310 nan 0.000 0.462 512 F N 0.592 120.416 119.950 -0.210 0.000 2.113 512 F HA 0.122 4.649 4.527 -0.000 0.000 0.297 512 F C 1.824 177.352 175.800 -0.454 0.000 1.103 512 F CA 0.710 58.439 58.000 -0.451 0.000 1.248 512 F CB -1.164 37.302 39.000 -0.891 0.000 0.999 512 F HN 0.314 nan 8.300 nan 0.000 0.475 513 Y N -0.975 119.525 120.300 0.334 0.000 2.442 513 Y HA 0.421 4.971 4.550 -0.000 0.000 0.250 513 Y C 1.860 177.875 175.900 0.191 0.000 1.113 513 Y CA -0.121 58.138 58.100 0.264 0.000 1.273 513 Y CB -0.668 38.041 38.460 0.415 0.000 1.138 513 Y HN 0.142 nan 8.280 nan 0.000 0.522 514 G N 1.085 110.036 108.800 0.252 0.000 2.611 514 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.301 514 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.301 514 G C 0.821 175.846 174.900 0.208 0.000 1.233 514 G CA 0.784 45.986 45.100 0.170 0.000 0.993 514 G HN 0.276 nan 8.290 nan 0.000 0.553 515 D N 1.136 121.629 120.400 0.155 0.000 2.263 515 D HA 0.121 4.761 4.640 -0.000 0.000 0.208 515 D C 2.604 179.016 176.300 0.186 0.000 0.971 515 D CA 1.603 55.693 54.000 0.149 0.000 0.867 515 D CB -0.570 40.287 40.800 0.095 0.000 0.929 515 D HN 0.760 nan 8.370 nan 0.000 0.492 516 A N 0.413 123.378 122.820 0.242 0.000 2.119 516 A HA 0.229 4.549 4.320 -0.000 0.000 0.217 516 A C 1.338 179.143 177.584 0.367 0.000 1.153 516 A CA 0.758 52.977 52.037 0.304 0.000 0.692 516 A CB -0.009 19.180 19.000 0.314 0.000 0.799 516 A HN 0.173 nan 8.150 nan 0.000 0.458 517 A N 0.504 123.559 122.820 0.392 0.000 2.260 517 A HA 0.621 4.940 4.320 -0.000 0.000 0.312 517 A C -0.175 177.611 177.584 0.338 0.000 1.321 517 A CA -0.429 51.846 52.037 0.396 0.000 0.928 517 A CB 0.346 19.693 19.000 0.578 0.000 1.158 517 A HN 0.326 nan 8.150 nan 0.000 0.542 518 Q N 0.950 120.737 119.800 -0.022 0.000 2.544 518 Q HA 0.300 4.640 4.340 -0.000 0.000 0.291 518 Q C 0.494 175.761 176.000 -1.221 0.000 1.068 518 Q CA -0.788 54.785 55.803 -0.385 0.000 0.785 518 Q CB 1.786 30.416 28.738 -0.179 0.000 1.481 518 Q HN 0.823 nan 8.270 nan 0.000 0.430 519 K N 0.749 120.302 120.400 -1.412 0.000 2.103 519 K HA -0.207 4.113 4.320 -0.000 0.000 0.207 519 K C 0.999 177.195 176.600 -0.673 0.000 1.048 519 K CA 1.830 57.369 56.287 -1.246 0.000 0.930 519 K CB 0.326 32.526 32.500 -0.500 0.000 0.716 519 K HN 0.421 nan 8.250 nan 0.000 0.444 520 E N 0.874 120.811 120.200 -0.439 0.000 2.160 520 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 520 E C 0.937 177.376 176.600 -0.268 0.000 0.991 520 E CA 1.473 57.711 56.400 -0.272 0.000 0.810 520 E CB -0.132 29.460 29.700 -0.179 0.000 0.742 520 E HN 0.504 nan 8.360 nan 0.000 0.466 521 N N -0.131 118.371 118.700 -0.331 0.000 2.328 521 N HA 0.006 4.746 4.740 -0.000 0.000 0.247 521 N C -0.741 174.568 175.510 -0.335 0.000 1.165 521 N CA -0.124 52.743 53.050 -0.306 0.000 0.873 521 N CB -0.192 38.108 38.487 -0.313 0.000 1.125 521 N HN -0.072 nan 8.380 nan 0.000 0.513 522 N N 0.345 118.811 118.700 -0.390 0.000 2.740 522 N HA -0.212 4.528 4.740 -0.000 0.000 0.248 522 N C -0.942 174.528 175.510 -0.066 0.000 1.062 522 N CA 1.022 53.899 53.050 -0.287 0.000 0.704 522 N CB -1.757 36.673 38.487 -0.094 0.000 0.968 522 N HN 0.709 nan 8.380 nan 0.000 0.547 523 W N -1.767 119.541 121.300 0.014 0.000 4.551 523 W HA -0.247 4.413 4.660 -0.000 0.000 0.343 523 W C 1.398 177.928 176.519 0.019 0.000 1.269 523 W CA 0.875 58.254 57.345 0.056 0.000 0.799 523 W CB -1.949 27.579 29.460 0.114 0.000 2.352 523 W HN 0.646 nan 8.180 nan 0.000 1.462 524 G N -1.706 106.995 108.800 -0.165 0.000 2.143 524 G HA2 -0.493 3.467 3.960 -0.000 0.000 0.249 524 G HA3 -0.493 3.467 3.960 -0.000 0.000 0.249 524 G C 0.578 175.299 174.900 -0.298 0.000 0.981 524 G CA 0.447 45.153 45.100 -0.657 0.000 0.665 524 G HN 0.683 nan 8.290 nan 0.000 0.528 525 Y N 1.449 121.683 120.300 -0.109 0.000 2.062 525 Y HA -0.253 4.296 4.550 -0.000 0.000 0.273 525 Y C 2.180 178.052 175.900 -0.046 0.000 1.206 525 Y CA 2.676 60.804 58.100 0.047 0.000 1.125 525 Y CB -0.051 38.439 38.460 0.050 0.000 0.951 525 Y HN 0.341 nan 8.280 nan 0.000 0.501 526 D N -1.172 119.070 120.400 -0.262 0.000 2.371 526 D HA -0.163 4.477 4.640 -0.000 0.000 0.221 526 D C 1.556 177.788 176.300 -0.114 0.000 0.986 526 D CA 0.659 54.496 54.000 -0.271 0.000 0.899 526 D CB -0.459 40.245 40.800 -0.160 0.000 0.902 526 D HN 0.537 nan 8.370 nan 0.000 0.530 527 W N 0.815 122.063 121.300 -0.088 0.000 2.770 527 W HA 0.163 4.822 4.660 -0.000 0.000 0.256 527 W C 0.702 177.252 176.519 0.051 0.000 1.291 527 W CA -0.253 57.060 57.345 -0.053 0.000 1.396 527 W CB -0.522 28.809 29.460 -0.214 0.000 1.114 527 W HN -0.068 nan 8.180 nan 0.000 0.637 528 L N 3.430 124.791 121.223 0.230 0.000 2.397 528 L HA 0.179 4.519 4.340 -0.000 0.000 0.271 528 L C -1.534 175.403 176.870 0.112 0.000 1.148 528 L CA -1.765 53.201 54.840 0.209 0.000 0.825 528 L CB 0.018 42.187 42.059 0.183 0.000 1.117 528 L HN -0.439 nan 8.230 nan 0.000 0.456 529 P HA 0.119 nan 4.420 nan 0.000 0.276 529 P C -1.271 176.097 177.300 0.113 0.000 1.230 529 P CA -0.263 62.912 63.100 0.126 0.000 0.776 529 P CB 0.790 32.588 31.700 0.163 0.000 0.888 530 K N 3.374 123.803 120.400 0.048 0.000 2.159 530 K HA 0.328 4.648 4.320 -0.000 0.000 0.266 530 K C 0.102 176.758 176.600 0.094 0.000 0.975 530 K CA -0.525 55.758 56.287 -0.005 0.000 0.865 530 K CB 1.514 33.944 32.500 -0.117 0.000 1.087 530 K HN 0.578 nan 8.250 nan 0.000 0.446 531 W N 3.647 125.010 121.300 0.105 0.000 2.381 531 W HA 0.205 4.865 4.660 -0.000 0.000 0.329 531 W C 0.069 176.659 176.519 0.119 0.000 1.157 531 W CA -0.769 56.666 57.345 0.151 0.000 1.240 531 W CB 0.363 29.925 29.460 0.169 0.000 1.199 531 W HN 0.714 nan 8.180 nan 0.000 0.579 532 D N 0.160 120.794 120.400 0.391 0.000 2.392 532 D HA -0.035 4.605 4.640 -0.000 0.000 0.206 532 D C 0.346 176.838 176.300 0.321 0.000 1.046 532 D CA 0.409 54.547 54.000 0.230 0.000 0.865 532 D CB 0.736 41.647 40.800 0.183 0.000 0.969 532 D HN 0.668 nan 8.370 nan 0.000 0.509 533 Q N -1.229 118.806 119.800 0.392 0.000 2.841 533 Q HA 0.329 4.669 4.340 -0.000 0.000 0.309 533 Q C -1.580 174.348 176.000 -0.120 0.000 0.868 533 Q CA -0.873 55.010 55.803 0.133 0.000 0.760 533 Q CB 0.472 29.135 28.738 -0.125 0.000 1.454 533 Q HN -0.216 nan 8.270 nan 0.000 0.449 534 T N 1.646 116.034 114.554 -0.276 0.000 2.771 534 T HA 0.359 4.709 4.350 -0.000 0.000 0.291 534 T C -1.192 173.307 174.700 -0.335 0.000 0.954 534 T CA -0.051 61.873 62.100 -0.292 0.000 1.045 534 T CB -0.047 68.676 68.868 -0.243 0.000 0.917 534 T HN 0.336 nan 8.240 nan 0.000 0.484 535 Y N 3.755 124.060 120.300 0.009 0.000 2.888 535 Y HA 0.171 4.721 4.550 -0.000 0.000 0.341 535 Y C 1.213 177.137 175.900 0.039 0.000 1.241 535 Y CA -1.305 56.827 58.100 0.053 0.000 1.440 535 Y CB -0.179 38.292 38.460 0.018 0.000 1.517 535 Y HN 0.646 nan 8.280 nan 0.000 0.518 536 D N -0.790 119.677 120.400 0.111 0.000 2.360 536 D HA -0.004 4.636 4.640 -0.000 0.000 0.242 536 D C 1.488 177.882 176.300 0.156 0.000 1.184 536 D CA -0.005 54.052 54.000 0.095 0.000 0.930 536 D CB 1.850 42.673 40.800 0.038 0.000 1.161 536 D HN 0.338 nan 8.370 nan 0.000 0.447 537 V N -0.688 119.279 119.914 0.087 0.000 2.332 537 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 537 V C 2.359 178.491 176.094 0.064 0.000 1.055 537 V CA 1.172 63.520 62.300 0.080 0.000 1.038 537 V CB -0.933 30.713 31.823 -0.295 0.000 0.651 537 V HN 0.618 nan 8.190 nan 0.000 0.450 538 I N 0.422 120.970 120.570 -0.038 0.000 2.226 538 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 538 I C 2.797 179.042 176.117 0.214 0.000 1.100 538 I CA 2.349 63.670 61.300 0.035 0.000 1.374 538 I CB -0.479 37.527 38.000 0.010 0.000 1.057 538 I HN 0.363 nan 8.210 nan 0.000 0.413 539 K N 0.469 121.023 120.400 0.256 0.000 2.057 539 K HA -0.261 4.059 4.320 -0.000 0.000 0.207 539 K C 2.399 179.130 176.600 0.219 0.000 1.049 539 K CA 1.669 58.115 56.287 0.266 0.000 0.931 539 K CB -0.288 32.362 32.500 0.252 0.000 0.714 539 K HN 0.151 nan 8.250 nan 0.000 0.440 540 Y N 0.115 120.517 120.300 0.171 0.000 2.274 540 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 540 Y C 1.580 177.493 175.900 0.021 0.000 1.145 540 Y CA 1.324 59.503 58.100 0.133 0.000 1.203 540 Y CB -0.123 38.453 38.460 0.194 0.000 0.984 540 Y HN 0.040 nan 8.280 nan 0.000 0.533 541 F N -0.218 119.706 119.950 -0.044 0.000 2.456 541 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 541 F C 2.382 178.073 175.800 -0.183 0.000 1.104 541 F CA 0.951 58.863 58.000 -0.146 0.000 1.435 541 F CB -0.600 38.379 39.000 -0.035 0.000 1.078 541 F HN 0.164 nan 8.300 nan 0.000 0.546 542 N N 0.283 118.950 118.700 -0.055 0.000 2.216 542 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 542 N C 1.834 177.191 175.510 -0.255 0.000 1.017 542 N CA 1.118 54.035 53.050 -0.221 0.000 0.861 542 N CB -0.033 38.129 38.487 -0.541 0.000 0.986 542 N HN 0.257 nan 8.380 nan 0.000 0.428 543 M N 0.263 119.707 119.600 -0.260 0.000 2.132 543 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 543 M C 2.451 178.535 176.300 -0.361 0.000 1.065 543 M CA 1.235 56.367 55.300 -0.279 0.000 1.122 543 M CB -0.200 32.239 32.600 -0.269 0.000 1.365 543 M HN 0.181 nan 8.290 nan 0.000 0.411 544 M N 0.158 119.452 119.600 -0.509 0.000 2.159 544 M HA -0.240 4.240 4.480 -0.000 0.000 0.263 544 M C 1.391 177.489 176.300 -0.336 0.000 1.063 544 M CA 1.846 56.821 55.300 -0.542 0.000 1.110 544 M CB -0.195 31.906 32.600 -0.832 0.000 1.374 544 M HN 0.111 nan 8.290 nan 0.000 0.411 545 D N 0.268 120.514 120.400 -0.257 0.000 2.264 545 D HA -0.129 4.511 4.640 -0.000 0.000 0.208 545 D C 1.136 177.356 176.300 -0.133 0.000 0.966 545 D CA 1.052 54.958 54.000 -0.158 0.000 0.864 545 D CB 0.096 40.832 40.800 -0.106 0.000 0.933 545 D HN 0.531 nan 8.370 nan 0.000 0.499 546 E N -1.115 118.993 120.200 -0.154 0.000 2.479 546 E HA 0.234 4.584 4.350 -0.000 0.000 0.193 546 E C 1.090 177.627 176.600 -0.105 0.000 1.049 546 E CA 0.361 56.692 56.400 -0.115 0.000 0.870 546 E CB 0.505 30.136 29.700 -0.114 0.000 0.944 546 E HN 0.273 nan 8.360 nan 0.000 0.492 547 G N 2.433 111.153 108.800 -0.133 0.000 2.136 547 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.242 547 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.242 547 G C 0.736 175.569 174.900 -0.112 0.000 0.989 547 G CA 0.444 45.477 45.100 -0.112 0.000 0.682 547 G HN 0.245 nan 8.290 nan 0.000 0.522 548 K N -0.743 119.564 120.400 -0.155 0.000 2.404 548 K HA 0.364 4.684 4.320 -0.000 0.000 0.194 548 K C 0.501 176.991 176.600 -0.183 0.000 1.023 548 K CA 0.372 56.579 56.287 -0.133 0.000 1.094 548 K CB 1.004 33.431 32.500 -0.122 0.000 0.841 548 K HN 0.290 nan 8.250 nan 0.000 0.523 549 V N 1.186 120.936 119.914 -0.273 0.000 2.409 549 V HA 0.078 4.198 4.120 -0.000 0.000 0.291 549 V C 0.689 176.655 176.094 -0.213 0.000 1.020 549 V CA -0.439 61.669 62.300 -0.319 0.000 0.848 549 V CB 1.591 33.033 31.823 -0.636 0.000 0.990 549 V HN 0.131 nan 8.190 nan 0.000 0.430 550 T N 2.833 117.317 114.554 -0.116 0.000 2.866 550 T HA 0.206 4.556 4.350 -0.000 0.000 0.250 550 T C 0.826 175.370 174.700 -0.259 0.000 1.033 550 T CA 1.066 63.134 62.100 -0.054 0.000 1.145 550 T CB 0.205 69.158 68.868 0.143 0.000 0.866 550 T HN 0.812 nan 8.240 nan 0.000 0.434 551 G N -0.736 107.786 108.800 -0.464 0.000 2.605 551 G HA2 0.610 4.570 3.960 -0.000 0.000 0.296 551 G HA3 0.610 4.570 3.960 -0.000 0.000 0.296 551 G C -2.211 172.508 174.900 -0.302 0.000 1.304 551 G CA -0.483 44.004 45.100 -1.023 0.000 0.941 551 G HN 0.135 nan 8.290 nan 0.000 0.475 552 Y N -0.384 119.674 120.300 -0.402 0.000 2.482 552 Y HA 0.636 5.186 4.550 -0.000 0.000 0.334 552 Y C -1.689 174.197 175.900 -0.025 0.000 1.091 552 Y CA -1.826 56.225 58.100 -0.082 0.000 1.027 552 Y CB 1.876 40.287 38.460 -0.083 0.000 1.306 552 Y HN 0.451 nan 8.280 nan 0.000 0.446 553 F N 3.513 123.310 119.950 -0.256 0.000 2.443 553 F HA 0.542 5.068 4.527 -0.000 0.000 0.335 553 F C -0.307 175.297 175.800 -0.326 0.000 1.104 553 F CA -0.618 57.292 58.000 -0.150 0.000 1.013 553 F CB 1.303 40.267 39.000 -0.060 0.000 1.136 553 F HN 0.416 nan 8.300 nan 0.000 0.470 554 C N 3.480 122.791 119.300 0.019 0.000 2.521 554 C HA 0.302 4.762 4.460 -0.000 0.000 0.291 554 C C -0.215 174.829 174.990 0.089 0.000 1.074 554 C CA -0.894 58.117 59.018 -0.012 0.000 1.495 554 C CB -0.045 27.704 27.740 0.015 0.000 1.862 554 C HN 0.696 nan 8.230 nan 0.000 0.418 555 Q N 1.653 121.514 119.800 0.102 0.000 2.390 555 Q HA 0.430 4.769 4.340 -0.000 0.000 0.249 555 Q C 0.929 176.987 176.000 0.097 0.000 0.996 555 Q CA 0.317 56.178 55.803 0.096 0.000 0.899 555 Q CB 0.840 29.618 28.738 0.066 0.000 1.216 555 Q HN 1.063 nan 8.270 nan 0.000 0.465 556 G N 4.557 113.386 108.800 0.049 0.000 2.366 556 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.299 556 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.299 556 G C -0.642 174.287 174.900 0.049 0.000 1.020 556 G CA 0.569 45.658 45.100 -0.018 0.000 1.026 556 G HN 0.613 nan 8.290 nan 0.000 0.512 557 F N -0.121 119.793 119.950 -0.060 0.000 2.605 557 F HA 0.476 5.003 4.527 -0.000 0.000 0.320 557 F C -0.421 175.338 175.800 -0.068 0.000 1.159 557 F CA -1.380 56.596 58.000 -0.041 0.000 0.999 557 F CB 1.831 40.818 39.000 -0.022 0.000 1.258 557 F HN 0.012 nan 8.300 nan 0.000 0.464 558 N N 7.423 126.313 118.700 0.317 0.000 3.012 558 N HA 0.296 5.036 4.740 -0.000 0.000 0.270 558 N C -1.963 173.561 175.510 0.023 0.000 1.469 558 N CA -2.648 50.466 53.050 0.106 0.000 0.928 558 N CB 0.771 39.281 38.487 0.038 0.000 1.219 558 N HN 0.232 nan 8.380 nan 0.000 0.492 559 P HA -0.164 nan 4.420 nan 0.000 0.217 559 P C 1.314 178.418 177.300 -0.326 0.000 1.148 559 P CA 0.787 63.489 63.100 -0.663 0.000 0.828 559 P CB 0.552 31.411 31.700 -1.402 0.000 0.783 560 V N 0.302 120.130 119.914 -0.144 0.000 2.490 560 V HA -0.209 3.911 4.120 -0.000 0.000 0.250 560 V C 2.726 178.810 176.094 -0.017 0.000 1.061 560 V CA 2.243 64.528 62.300 -0.026 0.000 1.064 560 V CB -1.429 30.436 31.823 0.069 0.000 0.670 560 V HN 0.163 nan 8.190 nan 0.000 0.461 561 A N -0.006 122.780 122.820 -0.057 0.000 1.956 561 A HA -0.035 4.285 4.320 -0.000 0.000 0.212 561 A C 2.378 179.933 177.584 -0.049 0.000 1.188 561 A CA 1.268 53.265 52.037 -0.067 0.000 0.675 561 A CB -0.304 18.632 19.000 -0.108 0.000 0.845 561 A HN 0.615 nan 8.150 nan 0.000 0.455 562 S N -1.447 114.248 115.700 -0.007 0.000 2.503 562 S HA 0.284 4.754 4.470 -0.000 0.000 0.217 562 S C 0.245 175.038 174.600 0.322 0.000 0.999 562 S CA -0.301 57.931 58.200 0.055 0.000 0.914 562 S CB -0.279 62.973 63.200 0.086 0.000 0.782 562 S HN 0.106 nan 8.310 nan 0.000 0.520 563 F N 3.924 123.901 119.950 0.045 0.000 2.382 563 F HA 0.535 5.062 4.527 -0.000 0.000 0.331 563 F C -2.083 173.761 175.800 0.073 0.000 1.121 563 F CA -3.165 54.855 58.000 0.033 0.000 1.183 563 F CB 0.224 39.100 39.000 -0.207 0.000 1.207 563 F HN 0.008 nan 8.300 nan 0.000 0.555 564 P HA 0.006 nan 4.420 nan 0.000 0.274 564 P C -0.483 176.819 177.300 0.004 0.000 1.237 564 P CA -0.038 63.104 63.100 0.070 0.000 0.793 564 P CB 0.673 32.262 31.700 -0.185 0.000 0.977 565 D N 0.715 121.093 120.400 -0.037 0.000 2.956 565 D HA -0.151 4.489 4.640 -0.000 0.000 0.240 565 D C 1.174 177.485 176.300 0.018 0.000 1.141 565 D CA 0.470 54.451 54.000 -0.032 0.000 0.820 565 D CB -0.706 40.072 40.800 -0.037 0.000 0.988 565 D HN 0.434 nan 8.370 nan 0.000 0.417 566 K N 1.126 121.543 120.400 0.027 0.000 2.113 566 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 566 K C 1.446 178.084 176.600 0.063 0.000 1.047 566 K CA 1.361 57.681 56.287 0.055 0.000 0.928 566 K CB -0.036 32.498 32.500 0.056 0.000 0.716 566 K HN 0.385 nan 8.250 nan 0.000 0.446 567 N N 1.233 119.960 118.700 0.044 0.000 2.166 567 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 567 N C 1.796 177.345 175.510 0.064 0.000 1.019 567 N CA 1.107 54.189 53.050 0.053 0.000 0.856 567 N CB -0.134 38.378 38.487 0.042 0.000 0.993 567 N HN 0.356 nan 8.380 nan 0.000 0.426 568 K N 0.972 121.407 120.400 0.058 0.000 2.103 568 K HA 0.012 4.332 4.320 -0.000 0.000 0.204 568 K C 1.843 178.510 176.600 0.111 0.000 1.052 568 K CA 0.497 56.826 56.287 0.070 0.000 0.945 568 K CB 0.128 32.662 32.500 0.057 0.000 0.722 568 K HN -0.147 nan 8.250 nan 0.000 0.443 569 V N 0.771 120.760 119.914 0.125 0.000 2.287 569 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 569 V C 2.263 178.445 176.094 0.146 0.000 1.053 569 V CA 1.624 64.038 62.300 0.191 0.000 1.027 569 V CB -0.208 31.684 31.823 0.115 0.000 0.646 569 V HN 0.169 nan 8.190 nan 0.000 0.447 570 V N -0.527 119.452 119.914 0.108 0.000 2.407 570 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 570 V C 2.648 178.806 176.094 0.106 0.000 1.055 570 V CA 2.302 64.673 62.300 0.118 0.000 1.049 570 V CB -0.547 31.383 31.823 0.178 0.000 0.662 570 V HN 0.614 nan 8.190 nan 0.000 0.455 571 S N -1.412 114.342 115.700 0.090 0.000 2.383 571 S HA -0.213 4.257 4.470 -0.000 0.000 0.227 571 S C 2.037 176.649 174.600 0.020 0.000 1.026 571 S CA 1.929 60.169 58.200 0.067 0.000 0.981 571 S CB -0.428 62.804 63.200 0.054 0.000 0.818 571 S HN 0.691 nan 8.310 nan 0.000 0.472 572 C N 1.059 120.363 119.300 0.007 0.000 2.476 572 C HA 0.135 4.595 4.460 -0.000 0.000 0.278 572 C C 2.502 177.357 174.990 -0.225 0.000 1.274 572 C CA 0.404 59.361 59.018 -0.101 0.000 1.713 572 C CB -1.537 26.177 27.740 -0.042 0.000 2.039 572 C HN 0.572 nan 8.230 nan 0.000 0.484 573 L N 0.851 121.928 121.223 -0.243 0.000 2.127 573 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 573 L C 2.501 179.214 176.870 -0.262 0.000 1.089 573 L CA 1.274 55.842 54.840 -0.454 0.000 0.757 573 L CB -0.693 40.836 42.059 -0.885 0.000 0.899 573 L HN 0.319 nan 8.230 nan 0.000 0.434 574 S N -0.400 115.302 115.700 0.004 0.000 2.469 574 S HA -0.122 4.348 4.470 -0.000 0.000 0.238 574 S C 1.699 176.357 174.600 0.098 0.000 0.998 574 S CA 1.019 59.369 58.200 0.250 0.000 0.957 574 S CB -0.099 63.246 63.200 0.242 0.000 0.764 574 S HN 0.423 nan 8.310 nan 0.000 0.514 575 K N 0.488 120.876 120.400 -0.019 0.000 2.426 575 K HA 0.206 4.526 4.320 -0.000 0.000 0.193 575 K C 0.088 176.649 176.600 -0.065 0.000 1.028 575 K CA 0.037 56.296 56.287 -0.047 0.000 1.047 575 K CB 0.043 32.486 32.500 -0.095 0.000 0.821 575 K HN 0.311 nan 8.250 nan 0.000 0.513 576 L N 1.620 122.796 121.223 -0.079 0.000 2.439 576 L HA 0.014 4.354 4.340 -0.000 0.000 0.269 576 L C 1.408 178.291 176.870 0.022 0.000 1.179 576 L CA -0.195 54.594 54.840 -0.084 0.000 0.828 576 L CB 0.522 42.510 42.059 -0.119 0.000 1.106 576 L HN -0.055 nan 8.230 nan 0.000 0.467 577 K N 2.122 122.550 120.400 0.047 0.000 2.211 577 K HA 0.041 4.361 4.320 -0.000 0.000 0.201 577 K C -0.335 176.439 176.600 0.290 0.000 1.052 577 K CA 0.926 57.312 56.287 0.164 0.000 0.973 577 K CB 0.177 32.814 32.500 0.228 0.000 0.766 577 K HN 0.604 nan 8.250 nan 0.000 0.466 578 Y N -2.082 118.299 120.300 0.136 0.000 2.552 578 Y HA 0.654 5.204 4.550 -0.000 0.000 0.337 578 Y C -1.034 174.969 175.900 0.173 0.000 1.094 578 Y CA -1.444 56.771 58.100 0.192 0.000 1.028 578 Y CB 1.237 39.855 38.460 0.264 0.000 1.321 578 Y HN -0.184 nan 8.280 nan 0.000 0.456 579 M N 3.820 123.622 119.600 0.336 0.000 2.378 579 M HA 0.736 5.215 4.480 -0.000 0.000 0.289 579 M C -2.330 174.128 176.300 0.263 0.000 1.136 579 M CA -0.845 54.574 55.300 0.198 0.000 0.917 579 M CB 2.263 35.007 32.600 0.239 0.000 1.669 579 M HN 0.665 nan 8.290 nan 0.000 0.461 580 V N 4.918 124.828 119.914 -0.005 0.000 2.407 580 V HA 0.523 4.642 4.120 -0.000 0.000 0.291 580 V C -0.749 175.375 176.094 0.050 0.000 1.018 580 V CA -0.711 61.575 62.300 -0.024 0.000 0.842 580 V CB 1.693 33.196 31.823 -0.535 0.000 0.996 580 V HN 0.661 nan 8.190 nan 0.000 0.426 581 V N 6.618 126.634 119.914 0.170 0.000 2.435 581 V HA 0.548 4.668 4.120 -0.000 0.000 0.290 581 V C -0.237 175.944 176.094 0.144 0.000 1.030 581 V CA -0.400 61.993 62.300 0.156 0.000 0.881 581 V CB 1.842 33.774 31.823 0.183 0.000 0.983 581 V HN 0.702 nan 8.190 nan 0.000 0.445 582 I N 4.611 125.259 120.570 0.130 0.000 2.410 582 I HA 0.592 4.762 4.170 -0.000 0.000 0.286 582 I C -0.698 175.457 176.117 0.063 0.000 1.009 582 I CA -0.017 61.357 61.300 0.124 0.000 1.111 582 I CB 1.543 39.633 38.000 0.150 0.000 1.262 582 I HN 0.608 nan 8.210 nan 0.000 0.443 583 D N 7.643 128.063 120.400 0.033 0.000 2.683 583 D HA 0.243 4.883 4.640 -0.000 0.000 0.246 583 D C -2.542 173.736 176.300 -0.037 0.000 1.238 583 D CA -1.023 52.960 54.000 -0.028 0.000 0.759 583 D CB 3.519 44.285 40.800 -0.057 0.000 1.349 583 D HN 0.117 nan 8.370 nan 0.000 0.426 584 P HA 0.262 nan 4.420 nan 0.000 0.261 584 P C 0.134 177.397 177.300 -0.062 0.000 1.268 584 P CA 0.142 63.222 63.100 -0.034 0.000 0.833 584 P CB 1.233 32.944 31.700 0.018 0.000 1.231 585 L N -1.102 120.046 121.223 -0.124 0.000 2.327 585 L HA 0.418 4.757 4.340 -0.000 0.000 0.258 585 L C -0.046 176.689 176.870 -0.226 0.000 1.024 585 L CA -1.486 53.224 54.840 -0.216 0.000 0.825 585 L CB 2.673 44.520 42.059 -0.354 0.000 1.386 585 L HN -0.438 nan 8.230 nan 0.000 0.417 586 V N 0.831 120.592 119.914 -0.255 0.000 2.585 586 V HA 0.262 4.382 4.120 -0.000 0.000 0.296 586 V C 0.424 176.466 176.094 -0.086 0.000 1.035 586 V CA 0.110 62.344 62.300 -0.110 0.000 1.084 586 V CB 1.005 32.831 31.823 0.006 0.000 0.953 586 V HN 0.918 nan 8.190 nan 0.000 0.483 587 T N 0.657 115.211 114.554 0.000 0.000 2.916 587 T HA 0.490 4.840 4.350 -0.000 0.000 0.292 587 T C 0.559 175.244 174.700 -0.025 0.000 1.055 587 T CA -0.773 61.328 62.100 0.001 0.000 1.009 587 T CB 1.942 70.808 68.868 -0.002 0.000 1.118 587 T HN 0.439 nan 8.240 nan 0.000 0.497 588 E N 0.709 120.795 120.200 -0.190 0.000 2.153 588 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 588 E C 2.055 178.667 176.600 0.020 0.000 0.988 588 E CA 1.671 57.832 56.400 -0.398 0.000 0.811 588 E CB -0.517 28.693 29.700 -0.817 0.000 0.746 588 E HN 0.770 nan 8.360 nan 0.000 0.466 589 T N -0.181 114.413 114.554 0.067 0.000 2.746 589 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 589 T C 1.998 176.917 174.700 0.365 0.000 1.039 589 T CA 1.486 63.700 62.100 0.191 0.000 1.142 589 T CB -0.402 68.529 68.868 0.105 0.000 0.866 589 T HN 0.345 nan 8.240 nan 0.000 0.444 590 S N 1.703 117.593 115.700 0.317 0.000 2.447 590 S HA -0.093 4.377 4.470 -0.000 0.000 0.233 590 S C 1.742 176.681 174.600 0.565 0.000 1.006 590 S CA 1.357 59.853 58.200 0.494 0.000 0.957 590 S CB -0.680 62.758 63.200 0.397 0.000 0.773 590 S HN 0.621 nan 8.310 nan 0.000 0.507 591 T N -1.003 113.691 114.554 0.233 0.000 3.266 591 T HA 0.356 4.705 4.350 -0.000 0.000 0.278 591 T C 0.814 175.243 174.700 -0.452 0.000 1.010 591 T CA -0.408 61.488 62.100 -0.340 0.000 0.909 591 T CB -0.943 67.888 68.868 -0.061 0.000 1.122 591 T HN 0.455 nan 8.240 nan 0.000 0.536 592 F N 0.739 120.597 119.950 -0.154 0.000 2.333 592 F HA 0.107 4.634 4.527 -0.000 0.000 0.300 592 F C 1.739 177.481 175.800 -0.097 0.000 1.083 592 F CA -0.183 57.815 58.000 -0.003 0.000 1.395 592 F CB -0.737 38.337 39.000 0.123 0.000 1.056 592 F HN 0.413 nan 8.300 nan 0.000 0.529 593 W N 1.511 122.251 121.300 -0.933 0.000 3.139 593 W HA 0.242 4.902 4.660 -0.000 0.000 0.260 593 W C 0.286 176.565 176.519 -0.400 0.000 1.312 593 W CA -0.275 56.584 57.345 -0.809 0.000 1.606 593 W CB -1.275 27.601 29.460 -0.973 0.000 1.118 593 W HN 0.208 nan 8.180 nan 0.000 0.675 594 Q N 2.510 121.775 119.800 -0.891 0.000 2.243 594 Q HA 0.129 4.469 4.340 -0.000 0.000 0.252 594 Q C -0.089 175.657 176.000 -0.424 0.000 0.909 594 Q CA -0.450 54.932 55.803 -0.701 0.000 0.922 594 Q CB 0.952 29.050 28.738 -1.066 0.000 1.215 594 Q HN -0.100 nan 8.270 nan 0.000 0.427 595 N N 2.640 121.115 118.700 -0.374 0.000 2.470 595 N HA -0.002 4.738 4.740 -0.000 0.000 0.268 595 N C -0.887 174.302 175.510 -0.534 0.000 1.136 595 N CA 0.342 53.192 53.050 -0.333 0.000 0.961 595 N CB 0.478 38.839 38.487 -0.211 0.000 1.067 595 N HN 0.693 nan 8.380 nan 0.000 0.468 596 H N 2.820 121.675 119.070 -0.358 0.000 2.562 596 H HA 0.192 4.748 4.556 -0.000 0.000 0.249 596 H C 1.158 176.332 175.328 -0.256 0.000 1.195 596 H CA 0.265 56.111 56.048 -0.337 0.000 0.938 596 H CB 0.423 29.842 29.762 -0.571 0.000 1.891 596 H HN 0.894 nan 8.280 nan 0.000 0.595 597 G N 1.484 110.210 108.800 -0.123 0.000 2.552 597 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.265 597 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.265 597 G C 1.036 175.901 174.900 -0.059 0.000 1.234 597 G CA 0.351 45.408 45.100 -0.070 0.000 0.944 597 G HN 0.436 nan 8.290 nan 0.000 0.568 598 E N 0.088 120.285 120.200 -0.005 0.000 2.160 598 E HA -0.103 4.247 4.350 -0.000 0.000 0.195 598 E C 2.873 179.431 176.600 -0.070 0.000 0.991 598 E CA 1.360 57.804 56.400 0.075 0.000 0.810 598 E CB -0.228 29.654 29.700 0.303 0.000 0.742 598 E HN 0.361 nan 8.360 nan 0.000 0.466 599 S N 0.579 116.125 115.700 -0.258 0.000 2.399 599 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 599 S C 0.829 175.262 174.600 -0.277 0.000 1.022 599 S CA 0.857 58.871 58.200 -0.310 0.000 0.983 599 S CB -0.007 63.009 63.200 -0.307 0.000 0.803 599 S HN 0.152 nan 8.310 nan 0.000 0.480 600 N N 0.784 119.280 118.700 -0.339 0.000 2.839 600 N HA 0.129 4.869 4.740 -0.000 0.000 0.230 600 N C -2.297 173.084 175.510 -0.216 0.000 1.388 600 N CA -0.170 52.659 53.050 -0.369 0.000 0.747 600 N CB 0.787 38.751 38.487 -0.871 0.000 1.411 600 N HN -0.150 nan 8.380 nan 0.000 0.556 601 D N 2.008 122.345 120.400 -0.104 0.000 2.517 601 D HA 0.177 4.817 4.640 -0.000 0.000 0.220 601 D C -0.154 176.124 176.300 -0.036 0.000 1.158 601 D CA -0.074 53.893 54.000 -0.056 0.000 0.992 601 D CB 0.085 40.888 40.800 0.005 0.000 1.058 601 D HN 0.235 nan 8.370 nan 0.000 0.516 602 V N 0.049 119.924 119.914 -0.063 0.000 3.046 602 V HA 0.643 4.763 4.120 -0.000 0.000 0.316 602 V C -0.367 175.703 176.094 -0.042 0.000 1.104 602 V CA -1.094 61.187 62.300 -0.032 0.000 1.006 602 V CB 2.157 33.965 31.823 -0.025 0.000 1.058 602 V HN 0.110 nan 8.190 nan 0.000 0.440 603 D N 1.695 122.084 120.400 -0.019 0.000 2.460 603 D HA 0.538 5.178 4.640 -0.000 0.000 0.232 603 D C -1.905 174.384 176.300 -0.018 0.000 1.079 603 D CA -2.211 51.776 54.000 -0.022 0.000 0.864 603 D CB 2.070 42.863 40.800 -0.013 0.000 1.048 603 D HN 0.279 nan 8.370 nan 0.000 0.523 604 P HA -0.163 nan 4.420 nan 0.000 0.217 604 P C 1.054 178.322 177.300 -0.053 0.000 1.151 604 P CA 1.480 64.577 63.100 -0.005 0.000 0.849 604 P CB 0.236 31.953 31.700 0.029 0.000 0.787 605 A N -0.180 122.610 122.820 -0.049 0.000 2.070 605 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 605 A C 2.211 179.769 177.584 -0.044 0.000 1.159 605 A CA 2.041 54.045 52.037 -0.055 0.000 0.656 605 A CB -1.370 17.605 19.000 -0.043 0.000 0.800 605 A HN 0.365 nan 8.150 nan 0.000 0.453 606 S N -1.148 114.536 115.700 -0.027 0.000 2.548 606 S HA 0.306 4.776 4.470 -0.000 0.000 0.215 606 S C 0.398 174.997 174.600 -0.003 0.000 0.976 606 S CA -0.268 57.925 58.200 -0.011 0.000 0.908 606 S CB -0.350 62.851 63.200 0.002 0.000 0.781 606 S HN 0.352 nan 8.310 nan 0.000 0.519 607 I N 2.626 123.187 120.570 -0.015 0.000 2.307 607 I HA 0.303 4.473 4.170 -0.000 0.000 0.289 607 I C 0.498 176.585 176.117 -0.051 0.000 1.021 607 I CA -0.562 60.740 61.300 0.002 0.000 1.224 607 I CB 1.658 39.664 38.000 0.011 0.000 1.376 607 I HN 0.067 nan 8.210 nan 0.000 0.470 608 Q N 3.253 123.042 119.800 -0.018 0.000 2.360 608 Q HA 0.122 4.462 4.340 -0.000 0.000 0.202 608 Q C 0.315 176.293 176.000 -0.037 0.000 0.915 608 Q CA 0.114 55.892 55.803 -0.042 0.000 0.943 608 Q CB -0.092 28.640 28.738 -0.011 0.000 1.064 608 Q HN 0.579 nan 8.270 nan 0.000 0.511 609 T N 2.405 116.957 114.554 -0.002 0.000 2.902 609 T HA 0.049 4.399 4.350 -0.000 0.000 0.301 609 T C 0.252 174.894 174.700 -0.096 0.000 1.012 609 T CA 0.231 62.358 62.100 0.045 0.000 1.151 609 T CB 0.722 69.732 68.868 0.236 0.000 0.946 609 T HN 0.093 nan 8.240 nan 0.000 0.542 610 E N 2.041 122.233 120.200 -0.014 0.000 2.194 610 E HA 0.365 4.715 4.350 -0.000 0.000 0.284 610 E C -0.707 175.817 176.600 -0.127 0.000 1.035 610 E CA -0.503 55.794 56.400 -0.173 0.000 0.836 610 E CB 1.048 30.806 29.700 0.098 0.000 1.070 610 E HN 0.289 nan 8.360 nan 0.000 0.401 611 V N 4.691 124.358 119.914 -0.412 0.000 2.417 611 V HA 0.359 4.479 4.120 -0.000 0.000 0.291 611 V C -0.694 175.321 176.094 -0.132 0.000 1.024 611 V CA -0.745 61.504 62.300 -0.085 0.000 0.861 611 V CB 0.621 32.465 31.823 0.035 0.000 0.985 611 V HN 0.502 nan 8.190 nan 0.000 0.436 612 F N 3.588 123.694 119.950 0.260 0.000 2.444 612 F HA 0.646 5.173 4.527 -0.000 0.000 0.342 612 F C 0.387 176.296 175.800 0.182 0.000 1.121 612 F CA -0.594 57.552 58.000 0.243 0.000 0.997 612 F CB 1.595 40.703 39.000 0.179 0.000 1.130 612 F HN 0.309 nan 8.300 nan 0.000 0.454 613 R N 4.757 125.381 120.500 0.207 0.000 2.320 613 R HA 0.583 4.923 4.340 -0.000 0.000 0.319 613 R C -1.738 174.526 176.300 -0.059 0.000 0.969 613 R CA -0.472 55.636 56.100 0.014 0.000 0.857 613 R CB 0.670 30.774 30.300 -0.326 0.000 1.160 613 R HN 0.732 nan 8.270 nan 0.000 0.491 614 L N 6.633 127.874 121.223 0.029 0.000 2.272 614 L HA 0.497 4.837 4.340 -0.000 0.000 0.289 614 L C -1.966 174.955 176.870 0.086 0.000 1.032 614 L CA -2.246 52.606 54.840 0.020 0.000 0.810 614 L CB 1.675 43.881 42.059 0.244 0.000 1.205 614 L HN 0.436 nan 8.230 nan 0.000 0.422 615 P HA 0.079 nan 4.420 nan 0.000 0.276 615 P C -0.556 176.878 177.300 0.223 0.000 1.253 615 P CA -0.067 63.081 63.100 0.080 0.000 0.766 615 P CB 1.329 33.021 31.700 -0.014 0.000 0.845 616 S N 2.349 118.119 115.700 0.117 0.000 2.739 616 S HA 0.654 5.124 4.470 -0.000 0.000 0.306 616 S C 0.312 174.933 174.600 0.035 0.000 1.115 616 S CA -0.476 57.783 58.200 0.098 0.000 0.985 616 S CB 0.611 63.855 63.200 0.074 0.000 1.133 616 S HN 0.499 nan 8.310 nan 0.000 0.541 617 T N -0.993 113.569 114.554 0.014 0.000 2.788 617 T HA 0.554 4.904 4.350 -0.000 0.000 0.287 617 T C 0.835 175.524 174.700 -0.019 0.000 1.007 617 T CA -0.394 61.690 62.100 -0.025 0.000 1.005 617 T CB -0.181 68.666 68.868 -0.035 0.000 1.012 617 T HN 1.293 nan 8.240 nan 0.000 0.530 618 C N 0.656 119.919 119.300 -0.062 0.000 2.755 618 C HA 0.736 5.196 4.460 -0.000 0.000 0.378 618 C C 1.841 176.807 174.990 -0.040 0.000 1.363 618 C CA -0.709 58.326 59.018 0.028 0.000 1.738 618 C CB -0.413 27.301 27.740 -0.042 0.000 2.135 618 C HN 0.912 nan 8.230 nan 0.000 0.485 619 F N 0.984 120.914 119.950 -0.034 0.000 2.147 619 F HA 0.011 4.538 4.527 -0.000 0.000 0.301 619 F C 1.897 177.588 175.800 -0.182 0.000 1.084 619 F CA 1.804 59.713 58.000 -0.152 0.000 1.268 619 F CB -1.467 37.411 39.000 -0.204 0.000 1.009 619 F HN 0.646 nan 8.300 nan 0.000 0.486 620 A N -0.127 121.791 122.820 -1.502 0.000 2.206 620 A HA 0.069 4.389 4.320 -0.000 0.000 0.211 620 A C 1.637 178.951 177.584 -0.450 0.000 1.158 620 A CA 0.779 52.188 52.037 -1.048 0.000 0.761 620 A CB -0.793 17.475 19.000 -1.219 0.000 0.801 620 A HN 0.598 nan 8.150 nan 0.000 0.473 621 E N -0.300 119.702 120.200 -0.330 0.000 2.501 621 E HA 0.193 4.543 4.350 -0.000 0.000 0.200 621 E C -0.411 176.138 176.600 -0.085 0.000 1.016 621 E CA 0.021 56.319 56.400 -0.170 0.000 0.921 621 E CB 0.458 30.065 29.700 -0.154 0.000 1.034 621 E HN 0.641 nan 8.360 nan 0.000 0.468 622 E N 0.841 121.004 120.200 -0.061 0.000 2.433 622 E HA 0.117 4.466 4.350 -0.000 0.000 0.278 622 E C -1.497 175.096 176.600 -0.011 0.000 0.976 622 E CA -0.879 55.505 56.400 -0.027 0.000 0.793 622 E CB 1.574 31.255 29.700 -0.032 0.000 1.311 622 E HN 0.034 nan 8.360 nan 0.000 0.460 623 D N 0.017 120.348 120.400 -0.114 0.000 2.326 623 D HA 0.725 5.365 4.640 -0.000 0.000 0.251 623 D C 0.274 176.112 176.300 -0.769 0.000 1.023 623 D CA -0.664 53.112 54.000 -0.374 0.000 0.966 623 D CB 1.826 42.545 40.800 -0.135 0.000 1.156 623 D HN 0.626 nan 8.370 nan 0.000 0.494 624 G N -0.711 107.002 108.800 -1.812 0.000 2.343 624 G HA2 0.445 4.405 3.960 -0.000 0.000 0.289 624 G HA3 0.445 4.405 3.960 -0.000 0.000 0.289 624 G C -1.476 172.164 174.900 -2.101 0.000 1.295 624 G CA -0.230 43.781 45.100 -1.815 0.000 0.869 624 G HN 1.096 nan 8.290 nan 0.000 0.522 625 S N -1.202 113.907 115.700 -0.985 0.000 2.568 625 S HA 0.874 5.343 4.470 -0.000 0.000 0.293 625 S C -0.437 174.129 174.600 -0.057 0.000 1.089 625 S CA -0.274 57.683 58.200 -0.405 0.000 0.945 625 S CB 1.794 64.989 63.200 -0.009 0.000 1.077 625 S HN 1.842 nan 8.310 nan 0.000 0.485 626 I N -1.372 119.255 120.570 0.096 0.000 2.802 626 I HA 0.878 5.048 4.170 -0.000 0.000 0.298 626 I C -0.614 175.632 176.117 0.215 0.000 1.176 626 I CA -1.581 59.820 61.300 0.169 0.000 1.025 626 I CB 1.857 39.966 38.000 0.182 0.000 1.243 626 I HN 0.810 nan 8.210 nan 0.000 0.424 627 A N 4.101 127.069 122.820 0.248 0.000 2.260 627 A HA 0.551 4.871 4.320 -0.000 0.000 0.308 627 A C -0.104 177.649 177.584 0.282 0.000 1.254 627 A CA -0.606 51.612 52.037 0.301 0.000 0.874 627 A CB 0.320 19.551 19.000 0.384 0.000 1.153 627 A HN 0.874 nan 8.150 nan 0.000 0.527 628 N N 1.439 120.306 118.700 0.278 0.000 2.364 628 N HA 0.068 4.808 4.740 -0.000 0.000 0.264 628 N C 1.008 176.636 175.510 0.197 0.000 1.263 628 N CA 0.297 53.489 53.050 0.238 0.000 0.959 628 N CB 0.575 39.188 38.487 0.210 0.000 1.204 628 N HN 0.320 nan 8.380 nan 0.000 0.550 629 S N -1.425 114.407 115.700 0.221 0.000 2.400 629 S HA -0.044 4.426 4.470 -0.000 0.000 0.232 629 S C 1.460 175.955 174.600 -0.175 0.000 1.025 629 S CA 1.396 59.615 58.200 0.032 0.000 0.993 629 S CB -1.068 62.130 63.200 -0.003 0.000 0.808 629 S HN 0.799 nan 8.310 nan 0.000 0.478 630 G N -0.201 108.458 108.800 -0.235 0.000 3.262 630 G HA2 0.210 4.170 3.960 -0.000 0.000 0.228 630 G HA3 0.210 4.170 3.960 -0.000 0.000 0.228 630 G C 0.426 175.280 174.900 -0.077 0.000 1.197 630 G CA -0.270 44.663 45.100 -0.278 0.000 0.819 630 G HN 0.538 nan 8.290 nan 0.000 0.531 631 R N -2.700 117.783 120.500 -0.029 0.000 3.936 631 R HA -0.129 4.211 4.340 -0.000 0.000 0.366 631 R C -0.619 175.810 176.300 0.215 0.000 1.158 631 R CA 0.509 56.581 56.100 -0.047 0.000 0.969 631 R CB -1.806 28.086 30.300 -0.681 0.000 1.504 631 R HN 0.375 nan 8.270 nan 0.000 0.538 632 W N 1.414 122.724 121.300 0.017 0.000 2.388 632 W HA 0.333 4.993 4.660 -0.000 0.000 0.308 632 W C 0.083 176.703 176.519 0.168 0.000 1.263 632 W CA -0.761 56.628 57.345 0.073 0.000 1.286 632 W CB 0.234 29.776 29.460 0.137 0.000 1.294 632 W HN -0.066 nan 8.180 nan 0.000 0.493 633 L N 4.524 125.973 121.223 0.378 0.000 2.283 633 L HA 0.201 4.541 4.340 -0.000 0.000 0.287 633 L C 0.424 177.477 176.870 0.306 0.000 1.073 633 L CA -0.020 54.997 54.840 0.295 0.000 0.822 633 L CB 0.103 42.289 42.059 0.211 0.000 1.186 633 L HN 0.295 nan 8.230 nan 0.000 0.436 634 Q N 3.146 123.129 119.800 0.305 0.000 2.316 634 Q HA 0.268 4.608 4.340 -0.000 0.000 0.264 634 Q C -0.993 175.122 176.000 0.191 0.000 0.987 634 Q CA -0.563 55.425 55.803 0.308 0.000 0.852 634 Q CB 2.438 31.432 28.738 0.426 0.000 1.287 634 Q HN 0.580 nan 8.270 nan 0.000 0.448 635 W N 5.055 126.281 121.300 -0.124 0.000 2.313 635 W HA 0.202 4.862 4.660 -0.000 0.000 0.328 635 W C -0.524 175.690 176.519 -0.508 0.000 1.197 635 W CA 0.177 57.255 57.345 -0.445 0.000 1.235 635 W CB 1.032 30.102 29.460 -0.651 0.000 1.158 635 W HN 0.772 nan 8.180 nan 0.000 0.578 636 H N 1.999 120.493 119.070 -0.959 0.000 2.928 636 H HA 0.429 4.985 4.556 -0.000 0.000 0.371 636 H C -1.217 173.679 175.328 -0.719 0.000 1.186 636 H CA -0.870 54.855 56.048 -0.539 0.000 1.134 636 H CB 1.293 30.952 29.762 -0.173 0.000 1.824 636 H HN 0.453 nan 8.280 nan 0.000 0.554 637 W N 1.002 122.392 121.300 0.150 0.000 2.706 637 W HA 0.313 4.973 4.660 -0.000 0.000 0.346 637 W C 0.092 176.647 176.519 0.060 0.000 1.071 637 W CA -0.736 56.672 57.345 0.105 0.000 1.206 637 W CB 2.658 32.190 29.460 0.119 0.000 1.413 637 W HN 0.527 nan 8.180 nan 0.000 0.542 638 K N 0.659 121.200 120.400 0.235 0.000 2.412 638 K HA 0.254 4.574 4.320 -0.000 0.000 0.281 638 K C 0.955 177.594 176.600 0.064 0.000 1.027 638 K CA 0.472 56.814 56.287 0.093 0.000 0.989 638 K CB 0.734 33.275 32.500 0.069 0.000 0.935 638 K HN 0.678 nan 8.250 nan 0.000 0.475 639 G N 3.203 111.988 108.800 -0.026 0.000 2.784 639 G HA2 0.008 3.968 3.960 -0.000 0.000 0.208 639 G HA3 0.008 3.968 3.960 -0.000 0.000 0.208 639 G C -0.320 174.556 174.900 -0.040 0.000 1.120 639 G CA 0.230 45.305 45.100 -0.042 0.000 0.774 639 G HN 0.734 nan 8.290 nan 0.000 0.528 640 Q N -0.459 119.306 119.800 -0.059 0.000 2.687 640 Q HA 0.408 4.748 4.340 -0.000 0.000 0.295 640 Q C -2.258 173.713 176.000 -0.048 0.000 0.920 640 Q CA -0.965 54.813 55.803 -0.041 0.000 0.766 640 Q CB 0.793 29.503 28.738 -0.048 0.000 1.467 640 Q HN -0.101 nan 8.270 nan 0.000 0.415 641 D N 0.543 120.927 120.400 -0.027 0.000 2.329 641 D HA 0.558 5.197 4.640 -0.000 0.000 0.246 641 D C -0.498 175.777 176.300 -0.041 0.000 1.111 641 D CA 0.225 54.211 54.000 -0.023 0.000 0.941 641 D CB 1.415 42.215 40.800 -0.001 0.000 1.169 641 D HN 0.671 nan 8.370 nan 0.000 0.441 642 A N 2.105 124.901 122.820 -0.039 0.000 2.366 642 A HA 0.449 4.769 4.320 -0.000 0.000 0.249 642 A C -2.097 175.466 177.584 -0.036 0.000 1.084 642 A CA -0.909 51.097 52.037 -0.051 0.000 0.794 642 A CB -0.201 18.777 19.000 -0.036 0.000 1.034 642 A HN 0.447 nan 8.150 nan 0.000 0.491 643 P HA 0.319 nan 4.420 nan 0.000 0.272 643 P C 0.958 178.215 177.300 -0.072 0.000 1.223 643 P CA 1.105 64.169 63.100 -0.060 0.000 0.784 643 P CB 0.563 32.213 31.700 -0.083 0.000 0.923 644 G N 3.170 111.933 108.800 -0.063 0.000 2.651 644 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.315 644 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.315 644 G C 0.441 175.377 174.900 0.059 0.000 1.258 644 G CA 0.530 45.593 45.100 -0.062 0.000 1.002 644 G HN 0.625 nan 8.290 nan 0.000 0.551 645 E N 1.454 121.708 120.200 0.090 0.000 2.499 645 E HA 0.523 4.873 4.350 -0.000 0.000 0.199 645 E C 1.043 177.883 176.600 0.399 0.000 1.016 645 E CA 0.145 56.724 56.400 0.299 0.000 0.933 645 E CB 0.548 30.507 29.700 0.432 0.000 1.050 645 E HN 0.794 nan 8.360 nan 0.000 0.462 646 A N 1.752 124.689 122.820 0.196 0.000 2.531 646 A HA 0.189 4.508 4.320 -0.000 0.000 0.236 646 A C 0.234 177.927 177.584 0.181 0.000 1.062 646 A CA 0.389 52.562 52.037 0.226 0.000 0.760 646 A CB 0.326 19.365 19.000 0.065 0.000 0.995 646 A HN 0.168 nan 8.150 nan 0.000 0.501 647 R N 0.595 121.187 120.500 0.154 0.000 2.888 647 R HA 0.328 4.668 4.340 -0.000 0.000 0.266 647 R C -0.482 175.800 176.300 -0.029 0.000 1.020 647 R CA -0.881 55.184 56.100 -0.059 0.000 0.963 647 R CB 1.270 31.329 30.300 -0.402 0.000 1.197 647 R HN 0.946 nan 8.270 nan 0.000 0.481 648 N N -0.168 118.502 118.700 -0.051 0.000 2.482 648 N HA -0.037 4.703 4.740 -0.000 0.000 0.260 648 N C 0.083 175.575 175.510 -0.030 0.000 1.236 648 N CA -0.060 52.970 53.050 -0.033 0.000 0.938 648 N CB 0.542 39.005 38.487 -0.040 0.000 1.128 648 N HN 0.449 nan 8.380 nan 0.000 0.448 649 D N 1.069 121.458 120.400 -0.018 0.000 2.133 649 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 649 D C 1.639 177.915 176.300 -0.041 0.000 0.997 649 D CA 1.875 55.865 54.000 -0.017 0.000 0.840 649 D CB -0.483 40.304 40.800 -0.022 0.000 0.947 649 D HN 0.840 nan 8.370 nan 0.000 0.452 650 G N 0.713 109.479 108.800 -0.057 0.000 2.422 650 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 650 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 650 G C 1.530 176.428 174.900 -0.004 0.000 1.140 650 G CA 0.324 45.391 45.100 -0.056 0.000 0.775 650 G HN 0.301 nan 8.290 nan 0.000 0.545 651 E N -0.112 120.073 120.200 -0.025 0.000 2.106 651 E HA -0.012 4.337 4.350 -0.000 0.000 0.192 651 E C 2.465 179.036 176.600 -0.049 0.000 0.984 651 E CA 0.387 56.773 56.400 -0.023 0.000 0.806 651 E CB -0.076 29.579 29.700 -0.074 0.000 0.750 651 E HN 0.480 nan 8.360 nan 0.000 0.458 652 I N 0.907 121.461 120.570 -0.027 0.000 2.202 652 I HA -0.266 3.903 4.170 -0.000 0.000 0.242 652 I C 2.307 178.436 176.117 0.019 0.000 1.091 652 I CA 0.927 62.286 61.300 0.098 0.000 1.368 652 I CB -0.191 37.916 38.000 0.178 0.000 1.058 652 I HN 0.105 nan 8.210 nan 0.000 0.410 653 L N 0.620 121.793 121.223 -0.083 0.000 2.046 653 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 653 L C 2.877 179.644 176.870 -0.172 0.000 1.077 653 L CA 1.405 56.103 54.840 -0.236 0.000 0.747 653 L CB -0.758 41.128 42.059 -0.289 0.000 0.896 653 L HN 0.239 nan 8.230 nan 0.000 0.432 654 A N 0.309 123.055 122.820 -0.123 0.000 1.933 654 A HA -0.134 4.185 4.320 -0.000 0.000 0.218 654 A C 2.404 179.714 177.584 -0.457 0.000 1.175 654 A CA 1.761 53.605 52.037 -0.321 0.000 0.628 654 A CB -1.255 17.771 19.000 0.043 0.000 0.814 654 A HN 0.453 nan 8.150 nan 0.000 0.444 655 G N 0.059 108.550 108.800 -0.515 0.000 2.421 655 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.216 655 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.216 655 G C 1.535 175.938 174.900 -0.828 0.000 1.171 655 G CA 1.167 45.587 45.100 -1.133 0.000 0.775 655 G HN 0.482 nan 8.290 nan 0.000 0.543 656 I N -0.996 119.291 120.570 -0.472 0.000 2.202 656 I HA -0.132 4.038 4.170 -0.000 0.000 0.242 656 I C 2.450 178.636 176.117 0.115 0.000 1.091 656 I CA 1.009 62.332 61.300 0.038 0.000 1.368 656 I CB -0.298 37.895 38.000 0.323 0.000 1.058 656 I HN 0.149 nan 8.210 nan 0.000 0.410 657 Y N 1.423 121.655 120.300 -0.114 0.000 2.128 657 Y HA -0.305 4.245 4.550 -0.000 0.000 0.284 657 Y C 2.845 178.516 175.900 -0.383 0.000 1.154 657 Y CA 1.820 59.734 58.100 -0.310 0.000 1.149 657 Y CB -0.398 37.681 38.460 -0.634 0.000 0.976 657 Y HN 0.219 nan 8.280 nan 0.000 0.505 658 H N -1.724 117.204 119.070 -0.238 0.000 2.389 658 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 658 H C 2.317 177.551 175.328 -0.157 0.000 1.081 658 H CA 1.706 57.580 56.048 -0.290 0.000 1.345 658 H CB -0.597 28.966 29.762 -0.332 0.000 1.393 658 H HN 0.536 nan 8.280 nan 0.000 0.520 659 H N -0.108 118.951 119.070 -0.019 0.000 2.321 659 H HA -0.111 4.445 4.556 -0.000 0.000 0.300 659 H C 2.318 177.624 175.328 -0.037 0.000 1.087 659 H CA 1.192 57.247 56.048 0.012 0.000 1.319 659 H CB -0.065 29.737 29.762 0.067 0.000 1.379 659 H HN 0.158 nan 8.280 nan 0.000 0.501 660 L N 1.388 122.646 121.223 0.059 0.000 2.017 660 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 660 L C 2.446 179.295 176.870 -0.035 0.000 1.073 660 L CA 1.483 56.323 54.840 0.000 0.000 0.745 660 L CB -0.382 41.668 42.059 -0.016 0.000 0.894 660 L HN 0.027 nan 8.230 nan 0.000 0.432 661 R N -0.625 119.745 120.500 -0.217 0.000 2.148 661 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 661 R C 1.985 178.222 176.300 -0.105 0.000 1.103 661 R CA 0.993 56.955 56.100 -0.230 0.000 0.983 661 R CB -0.277 29.739 30.300 -0.474 0.000 0.874 661 R HN 0.452 nan 8.270 nan 0.000 0.451 662 E N 0.949 121.087 120.200 -0.103 0.000 2.150 662 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 662 E C 2.135 178.686 176.600 -0.082 0.000 0.985 662 E CA 0.709 57.054 56.400 -0.092 0.000 0.814 662 E CB -0.073 29.561 29.700 -0.110 0.000 0.752 662 E HN 0.343 nan 8.360 nan 0.000 0.466 663 L N -0.333 120.839 121.223 -0.086 0.000 2.083 663 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 663 L C 2.387 179.130 176.870 -0.211 0.000 1.083 663 L CA 1.178 55.928 54.840 -0.149 0.000 0.752 663 L CB -0.466 41.479 42.059 -0.190 0.000 0.899 663 L HN 0.133 nan 8.230 nan 0.000 0.433 664 Y N -0.199 120.003 120.300 -0.163 0.000 2.293 664 Y HA -0.273 4.277 4.550 -0.000 0.000 0.291 664 Y C 2.794 178.602 175.900 -0.153 0.000 1.137 664 Y CA 1.410 59.403 58.100 -0.178 0.000 1.202 664 Y CB -0.204 38.116 38.460 -0.234 0.000 0.990 664 Y HN 0.181 nan 8.280 nan 0.000 0.537 665 Q N 0.354 120.150 119.800 -0.005 0.000 2.124 665 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 665 Q C 2.203 178.170 176.000 -0.054 0.000 0.977 665 Q CA 2.178 57.955 55.803 -0.043 0.000 0.850 665 Q CB -0.326 28.375 28.738 -0.062 0.000 0.901 665 Q HN 0.402 nan 8.270 nan 0.000 0.429 666 S N -1.804 113.855 115.700 -0.070 0.000 2.492 666 S HA 0.113 4.583 4.470 -0.000 0.000 0.218 666 S C 1.402 175.953 174.600 -0.082 0.000 1.016 666 S CA 0.372 58.529 58.200 -0.071 0.000 0.916 666 S CB 0.048 63.206 63.200 -0.070 0.000 0.791 666 S HN 0.453 nan 8.310 nan 0.000 0.513 667 E N 0.874 121.005 120.200 -0.115 0.000 2.413 667 E HA 0.403 4.753 4.350 -0.000 0.000 0.203 667 E C 1.133 177.661 176.600 -0.121 0.000 0.957 667 E CA 0.149 56.470 56.400 -0.132 0.000 0.950 667 E CB 0.563 30.144 29.700 -0.198 0.000 0.957 667 E HN 0.605 nan 8.360 nan 0.000 0.497 668 G N 0.595 109.336 108.800 -0.099 0.000 2.693 668 G HA2 0.052 4.012 3.960 -0.000 0.000 0.226 668 G HA3 0.052 4.012 3.960 -0.000 0.000 0.226 668 G C 0.255 175.114 174.900 -0.068 0.000 1.354 668 G CA -0.464 44.612 45.100 -0.040 0.000 0.873 668 G HN 0.728 nan 8.290 nan 0.000 0.562 669 G N -1.757 107.041 108.800 -0.004 0.000 2.339 669 G HA2 0.523 4.483 3.960 -0.000 0.000 0.275 669 G HA3 0.523 4.483 3.960 -0.000 0.000 0.275 669 G C -0.855 174.064 174.900 0.031 0.000 1.323 669 G CA 0.162 45.261 45.100 -0.001 0.000 0.927 669 G HN 0.908 nan 8.290 nan 0.000 0.486 670 K N -0.134 120.267 120.400 0.000 0.000 2.098 670 K HA 0.516 4.836 4.320 -0.000 0.000 0.258 670 K C 0.977 177.269 176.600 -0.513 0.000 0.973 670 K CA 0.182 56.380 56.287 -0.148 0.000 0.898 670 K CB 1.433 33.893 32.500 -0.067 0.000 1.057 670 K HN 1.993 nan 8.250 nan 0.000 0.447 671 G N 0.825 109.248 108.800 -0.628 0.000 2.341 671 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.292 671 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.292 671 G C 0.703 175.181 174.900 -0.705 0.000 1.021 671 G CA 0.455 44.985 45.100 -0.951 0.000 0.905 671 G HN 0.372 nan 8.290 nan 0.000 0.508 672 V N -0.425 119.217 119.914 -0.453 0.000 2.270 672 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 672 V C 2.513 178.371 176.094 -0.393 0.000 1.043 672 V CA 2.737 64.779 62.300 -0.429 0.000 1.014 672 V CB -0.472 31.235 31.823 -0.193 0.000 0.645 672 V HN 0.676 nan 8.190 nan 0.000 0.447 673 E N 0.551 120.578 120.200 -0.289 0.000 2.038 673 E HA -0.199 4.150 4.350 -0.000 0.000 0.195 673 E C -0.150 176.099 176.600 -0.585 0.000 1.000 673 E CA 1.905 58.097 56.400 -0.348 0.000 0.803 673 E CB -0.821 28.780 29.700 -0.165 0.000 0.750 673 E HN 0.511 nan 8.360 nan 0.000 0.448 674 P HA -0.165 nan 4.420 nan 0.000 0.218 674 P C 1.644 178.745 177.300 -0.332 0.000 1.149 674 P CA 0.908 63.748 63.100 -0.434 0.000 0.817 674 P CB -0.061 31.634 31.700 -0.008 0.000 0.785 675 L N -0.936 120.061 121.223 -0.376 0.000 2.044 675 L HA -0.030 4.310 4.340 -0.000 0.000 0.205 675 L C 2.262 178.932 176.870 -0.334 0.000 1.075 675 L CA 2.031 56.650 54.840 -0.370 0.000 0.747 675 L CB -1.265 40.428 42.059 -0.609 0.000 0.903 675 L HN -0.204 nan 8.230 nan 0.000 0.435 676 M N -0.715 118.656 119.600 -0.381 0.000 2.394 676 M HA -0.059 4.420 4.480 -0.000 0.000 0.264 676 M C 1.834 177.983 176.300 -0.252 0.000 1.073 676 M CA 1.064 56.183 55.300 -0.301 0.000 1.111 676 M CB -1.057 31.376 32.600 -0.277 0.000 1.401 676 M HN 0.188 nan 8.290 nan 0.000 0.448 677 K N -0.078 120.098 120.400 -0.373 0.000 2.296 677 K HA 0.079 4.399 4.320 -0.000 0.000 0.200 677 K C 0.741 177.368 176.600 0.045 0.000 1.048 677 K CA 0.055 56.128 56.287 -0.356 0.000 0.966 677 K CB -0.362 31.473 32.500 -1.107 0.000 0.754 677 K HN 0.273 nan 8.250 nan 0.000 0.466 678 M N 2.199 121.859 119.600 0.099 0.000 2.252 678 M HA -0.055 4.425 4.480 -0.000 0.000 0.348 678 M C 0.095 176.484 176.300 0.148 0.000 1.334 678 M CA -0.146 55.237 55.300 0.138 0.000 1.071 678 M CB 0.376 33.030 32.600 0.090 0.000 1.763 678 M HN 0.099 nan 8.290 nan 0.000 0.452 679 S N 5.275 121.040 115.700 0.108 0.000 2.592 679 S HA 0.355 4.825 4.470 -0.000 0.000 0.271 679 S C -0.455 174.265 174.600 0.201 0.000 1.326 679 S CA -0.613 57.653 58.200 0.110 0.000 1.024 679 S CB 0.577 63.791 63.200 0.024 0.000 0.921 679 S HN 0.906 nan 8.310 nan 0.000 0.527 680 W N 3.029 124.272 121.300 -0.095 0.000 1.177 680 W HA 0.229 4.889 4.660 -0.000 0.000 0.309 680 W C -0.633 175.668 176.519 -0.364 0.000 0.863 680 W CA -0.622 56.661 57.345 -0.103 0.000 1.725 680 W CB 0.189 29.778 29.460 0.215 0.000 1.770 680 W HN 0.836 nan 8.180 nan 0.000 0.479 681 N N 2.459 120.787 118.700 -0.620 0.000 3.050 681 N HA 0.055 4.795 4.740 -0.000 0.000 0.289 681 N C -1.371 173.690 175.510 -0.749 0.000 1.209 681 N CA 0.540 53.280 53.050 -0.517 0.000 1.154 681 N CB -0.419 37.856 38.487 -0.354 0.000 1.444 681 N HN 0.007 nan 8.380 nan 0.000 0.529 682 Y N -0.016 120.265 120.300 -0.031 0.000 2.429 682 Y HA 0.344 4.894 4.550 -0.000 0.000 0.342 682 Y C 1.455 177.360 175.900 0.008 0.000 1.004 682 Y CA -1.160 56.907 58.100 -0.054 0.000 1.075 682 Y CB 1.554 39.945 38.460 -0.115 0.000 1.214 682 Y HN 0.065 nan 8.280 nan 0.000 0.455 683 K N 0.691 121.174 120.400 0.137 0.000 2.113 683 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 683 K C -0.208 176.458 176.600 0.110 0.000 1.047 683 K CA 1.453 57.792 56.287 0.087 0.000 0.928 683 K CB 0.072 32.609 32.500 0.061 0.000 0.716 683 K HN 0.650 nan 8.250 nan 0.000 0.446 684 Q N -0.350 119.541 119.800 0.151 0.000 2.454 684 Q HA 0.140 4.479 4.340 -0.000 0.000 0.255 684 Q C -2.267 173.885 176.000 0.253 0.000 1.034 684 Q CA -1.767 54.135 55.803 0.164 0.000 0.736 684 Q CB 1.838 30.654 28.738 0.130 0.000 1.210 684 Q HN -0.080 nan 8.270 nan 0.000 0.500 685 P HA -0.205 nan 4.420 nan 0.000 0.217 685 P C 0.556 178.153 177.300 0.495 0.000 1.148 685 P CA 1.327 64.691 63.100 0.439 0.000 0.828 685 P CB 0.238 32.023 31.700 0.141 0.000 0.783 686 H N -1.427 117.825 119.070 0.303 0.000 2.539 686 H HA 0.187 4.743 4.556 -0.000 0.000 0.267 686 H C 0.110 175.545 175.328 0.179 0.000 0.982 686 H CA 0.689 56.900 56.048 0.272 0.000 1.146 686 H CB 0.377 30.225 29.762 0.144 0.000 1.382 686 H HN 0.304 nan 8.280 nan 0.000 0.577 687 E N 0.902 121.246 120.200 0.239 0.000 3.626 687 E HA 0.211 4.561 4.350 -0.000 0.000 0.245 687 E C -2.768 173.848 176.600 0.025 0.000 1.236 687 E CA -1.825 54.639 56.400 0.107 0.000 1.072 687 E CB 1.583 31.334 29.700 0.086 0.000 1.309 687 E HN 0.151 nan 8.360 nan 0.000 0.400 688 P HA -0.060 nan 4.420 nan 0.000 0.266 688 P C -0.452 176.685 177.300 -0.271 0.000 1.195 688 P CA 0.121 62.979 63.100 -0.403 0.000 0.768 688 P CB 0.634 31.741 31.700 -0.988 0.000 0.838 689 Q N 1.326 121.004 119.800 -0.202 0.000 2.222 689 Q HA 0.232 4.572 4.340 -0.000 0.000 0.252 689 Q C 1.286 177.225 176.000 -0.102 0.000 0.926 689 Q CA -0.286 55.460 55.803 -0.095 0.000 0.899 689 Q CB 1.122 29.852 28.738 -0.014 0.000 1.250 689 Q HN 0.360 nan 8.270 nan 0.000 0.441 690 S N 1.770 117.456 115.700 -0.023 0.000 2.374 690 S HA -0.195 4.274 4.470 -0.000 0.000 0.227 690 S C 1.202 175.909 174.600 0.179 0.000 1.037 690 S CA 1.920 60.148 58.200 0.047 0.000 1.024 690 S CB -0.096 63.123 63.200 0.032 0.000 0.861 690 S HN 0.741 nan 8.310 nan 0.000 0.456 691 D N 1.411 121.908 120.400 0.162 0.000 2.178 691 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 691 D C 1.540 177.654 176.300 -0.310 0.000 0.980 691 D CA 1.050 54.965 54.000 -0.141 0.000 0.842 691 D CB -0.635 40.047 40.800 -0.198 0.000 0.948 691 D HN 0.484 nan 8.370 nan 0.000 0.472 692 E N 0.279 120.397 120.200 -0.135 0.000 2.051 692 E HA -0.103 4.246 4.350 -0.000 0.000 0.192 692 E C 2.390 178.981 176.600 -0.015 0.000 0.991 692 E CA 1.144 57.508 56.400 -0.059 0.000 0.799 692 E CB 0.055 29.807 29.700 0.087 0.000 0.748 692 E HN 0.164 nan 8.360 nan 0.000 0.449 693 V N 1.321 121.210 119.914 -0.043 0.000 2.427 693 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 693 V C 2.315 178.413 176.094 0.006 0.000 1.051 693 V CA 1.659 63.950 62.300 -0.015 0.000 1.048 693 V CB -0.682 31.067 31.823 -0.123 0.000 0.666 693 V HN 0.297 nan 8.190 nan 0.000 0.456 694 A N -0.048 122.780 122.820 0.012 0.000 1.933 694 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 694 A C 2.298 179.833 177.584 -0.082 0.000 1.175 694 A CA 1.956 54.038 52.037 0.074 0.000 0.628 694 A CB -0.414 18.759 19.000 0.289 0.000 0.814 694 A HN 0.545 nan 8.150 nan 0.000 0.444 695 K N -0.404 119.817 120.400 -0.300 0.000 2.148 695 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 695 K C 1.929 178.410 176.600 -0.198 0.000 1.050 695 K CA 1.407 57.450 56.287 -0.407 0.000 0.942 695 K CB -0.127 32.060 32.500 -0.521 0.000 0.724 695 K HN 0.619 nan 8.250 nan 0.000 0.446 696 E N 0.660 120.860 120.200 -0.000 0.000 2.077 696 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 696 E C 1.756 178.377 176.600 0.035 0.000 0.989 696 E CA 0.826 57.285 56.400 0.098 0.000 0.800 696 E CB -0.004 29.761 29.700 0.108 0.000 0.746 696 E HN 0.251 nan 8.360 nan 0.000 0.452 697 N N 0.986 119.706 118.700 0.033 0.000 2.120 697 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 697 N C 1.591 177.129 175.510 0.046 0.000 1.024 697 N CA 1.123 54.210 53.050 0.062 0.000 0.852 697 N CB -0.468 38.123 38.487 0.173 0.000 1.003 697 N HN 0.166 nan 8.380 nan 0.000 0.424 698 N N -0.256 118.432 118.700 -0.020 0.000 2.058 698 N HA -0.030 4.710 4.740 -0.000 0.000 0.191 698 N C 0.428 175.888 175.510 -0.083 0.000 1.037 698 N CA 1.472 54.478 53.050 -0.075 0.000 0.848 698 N CB 0.044 38.429 38.487 -0.169 0.000 1.021 698 N HN 0.299 nan 8.380 nan 0.000 0.422 699 G N -2.401 106.294 108.800 -0.175 0.000 2.484 699 G HA2 -0.001 3.958 3.960 -0.000 0.000 0.685 699 G HA3 -0.001 3.958 3.960 -0.000 0.000 0.685 699 G C -1.774 172.978 174.900 -0.246 0.000 1.294 699 G CA -0.549 44.493 45.100 -0.095 0.000 0.879 699 G HN 0.201 nan 8.290 nan 0.000 0.646 700 Y N -0.460 119.837 120.300 -0.006 0.000 2.576 700 Y HA 0.750 5.300 4.550 -0.000 0.000 0.346 700 Y C 0.691 176.592 175.900 0.002 0.000 1.018 700 Y CA -0.189 57.905 58.100 -0.011 0.000 1.050 700 Y CB 2.352 40.794 38.460 -0.030 0.000 1.280 700 Y HN 1.170 nan 8.280 nan 0.000 0.474 701 A N 2.054 124.988 122.820 0.190 0.000 2.289 701 A HA 0.522 4.841 4.320 -0.000 0.000 0.298 701 A C 0.044 177.679 177.584 0.084 0.000 1.208 701 A CA -0.423 51.672 52.037 0.097 0.000 0.845 701 A CB 0.056 19.083 19.000 0.046 0.000 1.125 701 A HN 0.945 nan 8.150 nan 0.000 0.517 702 L N 0.771 122.028 121.223 0.056 0.000 2.567 702 L HA 0.229 4.568 4.340 -0.000 0.000 0.225 702 L C 0.227 177.115 176.870 0.029 0.000 1.119 702 L CA 0.488 55.348 54.840 0.034 0.000 0.871 702 L CB -0.105 41.976 42.059 0.036 0.000 1.036 702 L HN 0.591 nan 8.230 nan 0.000 0.459 703 E N -0.662 119.556 120.200 0.029 0.000 2.433 703 E HA 0.249 4.599 4.350 -0.000 0.000 0.278 703 E C -1.350 175.251 176.600 0.001 0.000 0.976 703 E CA -0.729 55.689 56.400 0.029 0.000 0.793 703 E CB 1.731 31.462 29.700 0.051 0.000 1.311 703 E HN -0.163 nan 8.360 nan 0.000 0.460 704 D N 1.207 121.603 120.400 -0.007 0.000 2.443 704 D HA 0.200 4.840 4.640 -0.000 0.000 0.239 704 D C -0.109 176.092 176.300 -0.164 0.000 1.136 704 D CA 0.461 54.396 54.000 -0.108 0.000 0.879 704 D CB 0.508 41.254 40.800 -0.090 0.000 1.195 704 D HN 0.164 nan 8.370 nan 0.000 0.443 705 L N 2.189 123.223 121.223 -0.315 0.000 2.346 705 L HA 0.445 4.785 4.340 -0.000 0.000 0.276 705 L C -0.730 175.841 176.870 -0.498 0.000 1.006 705 L CA -0.958 53.729 54.840 -0.255 0.000 0.817 705 L CB 0.992 42.960 42.059 -0.151 0.000 1.272 705 L HN 0.284 nan 8.230 nan 0.000 0.421 706 Y N 0.010 120.289 120.300 -0.035 0.000 2.485 706 Y HA 0.317 4.867 4.550 -0.000 0.000 0.345 706 Y C 0.144 176.023 175.900 -0.035 0.000 0.998 706 Y CA -1.078 57.001 58.100 -0.036 0.000 1.059 706 Y CB 1.623 40.073 38.460 -0.016 0.000 1.234 706 Y HN 0.616 nan 8.280 nan 0.000 0.461 707 D N 0.629 121.100 120.400 0.117 0.000 2.447 707 D HA 0.216 4.856 4.640 -0.000 0.000 0.265 707 D C 0.918 177.271 176.300 0.088 0.000 1.250 707 D CA -0.199 53.842 54.000 0.069 0.000 1.046 707 D CB 0.725 41.550 40.800 0.041 0.000 1.095 707 D HN 0.581 nan 8.370 nan 0.000 0.555 708 A N -0.281 122.577 122.820 0.063 0.000 2.121 708 A HA -0.136 4.183 4.320 -0.000 0.000 0.218 708 A C 1.349 178.957 177.584 0.041 0.000 1.154 708 A CA 0.746 52.813 52.037 0.050 0.000 0.679 708 A CB -0.633 18.393 19.000 0.044 0.000 0.795 708 A HN 0.511 nan 8.150 nan 0.000 0.458 709 N N -0.733 117.994 118.700 0.045 0.000 2.336 709 N HA 0.198 4.938 4.740 -0.000 0.000 0.189 709 N C 1.071 176.601 175.510 0.034 0.000 1.113 709 N CA 0.940 54.011 53.050 0.034 0.000 0.858 709 N CB 0.461 38.968 38.487 0.033 0.000 0.970 709 N HN 0.588 nan 8.380 nan 0.000 0.471 710 G N -0.364 108.467 108.800 0.052 0.000 2.157 710 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.248 710 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.248 710 G C -0.150 174.843 174.900 0.156 0.000 0.979 710 G CA 0.149 45.270 45.100 0.035 0.000 0.650 710 G HN 0.180 nan 8.290 nan 0.000 0.529 711 V N 1.437 121.456 119.914 0.174 0.000 2.498 711 V HA 0.575 4.695 4.120 -0.000 0.000 0.279 711 V C 0.970 177.172 176.094 0.181 0.000 1.048 711 V CA -0.722 61.676 62.300 0.163 0.000 0.967 711 V CB 1.611 33.477 31.823 0.071 0.000 0.988 711 V HN 0.464 nan 8.190 nan 0.000 0.473 712 L N 6.451 127.736 121.223 0.104 0.000 2.477 712 L HA 0.193 4.532 4.340 -0.000 0.000 0.272 712 L C 0.967 177.716 176.870 -0.202 0.000 1.157 712 L CA 0.711 55.408 54.840 -0.238 0.000 0.889 712 L CB 0.185 42.121 42.059 -0.204 0.000 1.158 712 L HN 0.712 nan 8.230 nan 0.000 0.473 713 I N 2.226 122.623 120.570 -0.288 0.000 3.265 713 I HA 0.555 4.725 4.170 -0.000 0.000 0.282 713 I C 0.653 176.621 176.117 -0.248 0.000 1.207 713 I CA 0.328 61.463 61.300 -0.275 0.000 1.449 713 I CB -0.038 37.700 38.000 -0.437 0.000 1.121 713 I HN 0.623 nan 8.210 nan 0.000 0.442 714 A N 1.019 123.687 122.820 -0.253 0.000 2.589 714 A HA 0.633 4.953 4.320 -0.000 0.000 0.296 714 A C -1.182 176.304 177.584 -0.164 0.000 1.062 714 A CA -0.759 51.183 52.037 -0.159 0.000 0.686 714 A CB 1.361 20.301 19.000 -0.100 0.000 1.282 714 A HN 0.130 nan 8.150 nan 0.000 0.404 715 K N 1.123 121.466 120.400 -0.095 0.000 2.110 715 K HA 0.367 4.687 4.320 -0.000 0.000 0.263 715 K C -0.061 176.521 176.600 -0.029 0.000 0.975 715 K CA -0.731 55.512 56.287 -0.073 0.000 0.895 715 K CB 1.634 34.108 32.500 -0.044 0.000 1.060 715 K HN 0.707 nan 8.250 nan 0.000 0.448 716 K N 0.725 121.112 120.400 -0.020 0.000 2.491 716 K HA -0.113 4.207 4.320 -0.000 0.000 0.279 716 K C 0.654 177.264 176.600 0.015 0.000 1.026 716 K CA 1.375 57.664 56.287 0.003 0.000 1.070 716 K CB -0.152 32.351 32.500 0.004 0.000 0.887 716 K HN 0.801 nan 8.250 nan 0.000 0.481 717 G N 2.478 111.299 108.800 0.035 0.000 2.217 717 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 717 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 717 G C -0.112 174.885 174.900 0.161 0.000 0.990 717 G CA 0.154 45.279 45.100 0.042 0.000 0.627 717 G HN 0.650 nan 8.290 nan 0.000 0.522 718 Q N -0.096 119.784 119.800 0.134 0.000 2.312 718 Q HA 0.656 4.996 4.340 -0.000 0.000 0.236 718 Q C 0.521 176.591 176.000 0.116 0.000 0.965 718 Q CA -0.550 55.323 55.803 0.118 0.000 0.894 718 Q CB 1.295 30.056 28.738 0.039 0.000 1.225 718 Q HN 0.403 nan 8.270 nan 0.000 0.478 719 L N 1.922 123.124 121.223 -0.034 0.000 2.426 719 L HA 0.168 4.507 4.340 -0.000 0.000 0.271 719 L C -0.131 176.677 176.870 -0.105 0.000 1.169 719 L CA -0.174 54.513 54.840 -0.254 0.000 0.836 719 L CB 0.224 42.113 42.059 -0.283 0.000 1.112 719 L HN 0.363 nan 8.230 nan 0.000 0.465 720 L N 1.813 122.975 121.223 -0.101 0.000 2.395 720 L HA 0.152 4.492 4.340 -0.000 0.000 0.269 720 L C 1.230 178.090 176.870 -0.017 0.000 1.133 720 L CA -0.048 54.799 54.840 0.012 0.000 0.812 720 L CB 1.435 43.528 42.059 0.057 0.000 1.125 720 L HN 0.818 nan 8.230 nan 0.000 0.452 721 S N -0.731 114.989 115.700 0.034 0.000 2.503 721 S HA 0.089 4.558 4.470 -0.000 0.000 0.215 721 S C 0.519 175.032 174.600 -0.145 0.000 1.003 721 S CA -0.051 58.122 58.200 -0.046 0.000 0.910 721 S CB 0.415 63.621 63.200 0.010 0.000 0.790 721 S HN 0.589 nan 8.310 nan 0.000 0.514 722 S N 0.006 115.556 115.700 -0.251 0.000 2.537 722 S HA 0.505 4.975 4.470 -0.000 0.000 0.271 722 S C 0.013 174.481 174.600 -0.221 0.000 1.148 722 S CA -0.779 57.189 58.200 -0.387 0.000 0.868 722 S CB 0.402 63.228 63.200 -0.623 0.000 1.115 722 S HN 0.313 nan 8.310 nan 0.000 0.461 723 F N 1.980 121.991 119.950 0.102 0.000 2.546 723 F HA 0.337 4.864 4.527 -0.000 0.000 0.298 723 F C 1.931 177.887 175.800 0.260 0.000 1.120 723 F CA 0.607 58.758 58.000 0.252 0.000 1.456 723 F CB -1.067 38.216 39.000 0.471 0.000 1.088 723 F HN 0.545 nan 8.300 nan 0.000 0.572 724 A N 0.235 123.146 122.820 0.151 0.000 2.121 724 A HA -0.125 4.194 4.320 -0.000 0.000 0.218 724 A C 1.644 179.392 177.584 0.272 0.000 1.154 724 A CA 1.272 53.455 52.037 0.244 0.000 0.679 724 A CB -1.393 17.628 19.000 0.035 0.000 0.795 724 A HN 0.700 nan 8.150 nan 0.000 0.458 725 H N -1.390 117.778 119.070 0.164 0.000 2.539 725 H HA 0.326 4.882 4.556 -0.000 0.000 0.269 725 H C -0.083 175.311 175.328 0.111 0.000 0.980 725 H CA -0.714 55.397 56.048 0.106 0.000 1.152 725 H CB 0.170 29.968 29.762 0.061 0.000 1.407 725 H HN 0.307 nan 8.280 nan 0.000 0.564 726 L N 2.009 123.397 121.223 0.274 0.000 2.439 726 L HA 0.189 4.529 4.340 -0.000 0.000 0.269 726 L C 0.362 177.286 176.870 0.090 0.000 1.179 726 L CA 0.330 55.286 54.840 0.192 0.000 0.828 726 L CB 0.676 42.901 42.059 0.277 0.000 1.106 726 L HN 0.209 nan 8.230 nan 0.000 0.467 727 R N 0.673 121.185 120.500 0.020 0.000 2.888 727 R HA 0.251 4.590 4.340 -0.000 0.000 0.266 727 R C -0.565 175.664 176.300 -0.119 0.000 1.020 727 R CA -0.786 55.291 56.100 -0.038 0.000 0.963 727 R CB 1.438 31.732 30.300 -0.010 0.000 1.197 727 R HN 0.642 nan 8.270 nan 0.000 0.481 728 D N -0.770 119.553 120.400 -0.129 0.000 2.388 728 D HA -0.045 4.595 4.640 -0.000 0.000 0.221 728 D C 0.123 176.301 176.300 -0.202 0.000 1.133 728 D CA -0.088 53.800 54.000 -0.186 0.000 0.831 728 D CB 0.143 40.875 40.800 -0.113 0.000 0.962 728 D HN 0.509 nan 8.370 nan 0.000 0.502 729 D N -1.226 119.085 120.400 -0.150 0.000 2.462 729 D HA 0.220 4.860 4.640 -0.000 0.000 0.221 729 D C 1.571 177.835 176.300 -0.061 0.000 1.173 729 D CA -0.080 53.910 54.000 -0.017 0.000 0.831 729 D CB -0.091 40.758 40.800 0.081 0.000 1.001 729 D HN 0.181 nan 8.370 nan 0.000 0.499 730 G N 0.543 109.090 108.800 -0.421 0.000 2.179 730 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.260 730 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.260 730 G C 1.068 175.952 174.900 -0.026 0.000 0.977 730 G CA 0.777 45.708 45.100 -0.282 0.000 0.641 730 G HN 0.622 nan 8.290 nan 0.000 0.533 731 T N -1.497 113.046 114.554 -0.018 0.000 3.107 731 T HA 0.447 4.796 4.350 -0.000 0.000 0.249 731 T C 0.911 175.623 174.700 0.019 0.000 1.096 731 T CA 1.406 63.521 62.100 0.025 0.000 1.012 731 T CB 0.312 69.204 68.868 0.041 0.000 0.977 731 T HN 1.498 nan 8.240 nan 0.000 0.527 732 T N -0.935 113.614 114.554 -0.007 0.000 2.903 732 T HA 0.809 5.159 4.350 -0.000 0.000 0.299 732 T C -1.068 173.637 174.700 0.007 0.000 1.093 732 T CA -0.774 61.341 62.100 0.026 0.000 1.002 732 T CB 2.044 70.940 68.868 0.048 0.000 1.127 732 T HN 0.422 nan 8.240 nan 0.000 0.488 733 A N 1.017 123.869 122.820 0.054 0.000 2.449 733 A HA 0.921 5.241 4.320 -0.000 0.000 0.302 733 A C -0.386 177.238 177.584 0.066 0.000 1.048 733 A CA -0.815 51.245 52.037 0.038 0.000 0.708 733 A CB 1.790 20.824 19.000 0.057 0.000 1.274 733 A HN 1.525 nan 8.150 nan 0.000 0.410 734 S N 0.233 115.943 115.700 0.017 0.000 2.582 734 S HA 0.416 4.886 4.470 -0.000 0.000 0.287 734 S C 0.261 174.832 174.600 -0.050 0.000 1.146 734 S CA 0.249 58.463 58.200 0.023 0.000 0.941 734 S CB 0.878 64.127 63.200 0.082 0.000 1.115 734 S HN 1.777 nan 8.310 nan 0.000 0.458 735 S N 1.991 117.658 115.700 -0.056 0.000 2.605 735 S HA 0.297 4.767 4.470 -0.000 0.000 0.217 735 S C 0.473 174.995 174.600 -0.131 0.000 0.958 735 S CA -0.129 57.993 58.200 -0.130 0.000 0.919 735 S CB -0.282 62.893 63.200 -0.041 0.000 0.780 735 S HN 0.966 nan 8.310 nan 0.000 0.507 736 C N 3.358 122.590 119.300 -0.113 0.000 3.199 736 C HA 0.334 4.794 4.460 -0.000 0.000 0.376 736 C C 1.028 175.908 174.990 -0.184 0.000 1.023 736 C CA -1.142 57.718 59.018 -0.263 0.000 1.304 736 C CB -0.857 26.572 27.740 -0.519 0.000 1.676 736 C HN 0.754 nan 8.230 nan 0.000 0.553 737 W N 4.571 125.725 121.300 -0.243 0.000 2.350 737 W HA -0.074 4.586 4.660 -0.000 0.000 0.289 737 W C 1.500 177.922 176.519 -0.162 0.000 1.215 737 W CA 1.903 59.116 57.345 -0.221 0.000 1.236 737 W CB -0.912 28.262 29.460 -0.477 0.000 1.130 737 W HN 0.759 nan 8.180 nan 0.000 0.541 738 I N -2.200 117.702 120.570 -1.113 0.000 3.176 738 I HA -0.132 4.038 4.170 -0.000 0.000 0.275 738 I C 1.502 177.715 176.117 0.160 0.000 1.298 738 I CA 1.000 61.778 61.300 -0.870 0.000 1.445 738 I CB -0.955 36.231 38.000 -1.356 0.000 1.075 738 I HN -0.224 nan 8.210 nan 0.000 0.482 739 Y N 1.890 122.157 120.300 -0.055 0.000 2.457 739 Y HA 0.250 4.800 4.550 -0.000 0.000 0.263 739 Y C 0.962 176.846 175.900 -0.026 0.000 1.164 739 Y CA -1.046 57.117 58.100 0.105 0.000 1.274 739 Y CB -0.866 37.588 38.460 -0.009 0.000 1.097 739 Y HN 0.058 nan 8.280 nan 0.000 0.523 740 T N 0.599 115.310 114.554 0.263 0.000 2.784 740 T HA 0.388 4.737 4.350 -0.000 0.000 0.291 740 T C 1.227 175.926 174.700 -0.002 0.000 0.942 740 T CA 1.101 63.269 62.100 0.114 0.000 1.161 740 T CB 0.329 69.337 68.868 0.234 0.000 0.885 740 T HN 0.589 nan 8.240 nan 0.000 0.534 741 G N 2.377 111.007 108.800 -0.284 0.000 2.296 741 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.188 741 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.188 741 G C 1.266 175.477 174.900 -1.148 0.000 1.000 741 G CA 0.390 45.240 45.100 -0.417 0.000 0.672 741 G HN 0.821 nan 8.290 nan 0.000 0.483 742 S N -1.750 113.086 115.700 -1.440 0.000 2.406 742 S HA 0.144 4.614 4.470 -0.000 0.000 0.228 742 S C 0.764 174.997 174.600 -0.611 0.000 1.020 742 S CA 1.145 58.489 58.200 -1.428 0.000 0.965 742 S CB 0.296 62.930 63.200 -0.944 0.000 0.798 742 S HN 0.988 nan 8.310 nan 0.000 0.488 743 W N 3.264 124.232 121.300 -0.555 0.000 2.642 743 W HA 0.450 5.109 4.660 -0.000 0.000 0.304 743 W C -0.502 175.809 176.519 -0.348 0.000 1.023 743 W CA -0.733 56.368 57.345 -0.406 0.000 1.290 743 W CB 1.115 30.361 29.460 -0.356 0.000 1.190 743 W HN 0.275 nan 8.180 nan 0.000 0.374 744 T N -0.226 114.334 114.554 0.009 0.000 2.864 744 T HA 0.324 4.674 4.350 -0.000 0.000 0.276 744 T C 0.821 175.543 174.700 0.037 0.000 1.006 744 T CA -0.225 61.860 62.100 -0.025 0.000 0.970 744 T CB 1.556 70.368 68.868 -0.094 0.000 1.420 744 T HN 0.187 nan 8.240 nan 0.000 0.601 745 E N 0.200 120.397 120.200 -0.006 0.000 2.409 745 E HA -0.054 4.295 4.350 -0.000 0.000 0.198 745 E C 1.856 178.451 176.600 -0.009 0.000 1.024 745 E CA 0.594 56.998 56.400 0.007 0.000 0.861 745 E CB -0.053 29.645 29.700 -0.003 0.000 0.788 745 E HN 0.482 nan 8.360 nan 0.000 0.521 746 Q N -0.285 119.489 119.800 -0.043 0.000 2.425 746 Q HA 0.182 4.522 4.340 -0.000 0.000 0.204 746 Q C 0.957 176.882 176.000 -0.125 0.000 0.933 746 Q CA 0.582 56.339 55.803 -0.076 0.000 0.939 746 Q CB 0.818 29.503 28.738 -0.088 0.000 1.044 746 Q HN 0.228 nan 8.270 nan 0.000 0.513 747 G N 1.562 110.281 108.800 -0.135 0.000 2.434 747 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.671 747 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.671 747 G C -0.842 173.591 174.900 -0.778 0.000 1.280 747 G CA -0.679 44.233 45.100 -0.312 0.000 0.975 747 G HN 0.180 nan 8.290 nan 0.000 0.510 748 N N 1.038 118.917 118.700 -1.368 0.000 2.406 748 N HA 0.185 4.924 4.740 -0.000 0.000 0.269 748 N C 1.647 176.621 175.510 -0.893 0.000 1.210 748 N CA -0.019 51.934 53.050 -1.828 0.000 0.966 748 N CB 0.725 37.778 38.487 -2.391 0.000 1.293 748 N HN 0.477 nan 8.380 nan 0.000 0.491 749 Q N 3.135 122.549 119.800 -0.643 0.000 2.297 749 Q HA -0.020 4.319 4.340 -0.000 0.000 0.204 749 Q C 1.285 177.140 176.000 -0.241 0.000 0.962 749 Q CA 0.961 56.541 55.803 -0.372 0.000 0.879 749 Q CB -0.042 28.501 28.738 -0.325 0.000 0.947 749 Q HN 0.755 nan 8.270 nan 0.000 0.462 750 M N -0.467 118.972 119.600 -0.268 0.000 2.557 750 M HA -0.005 4.475 4.480 -0.000 0.000 0.259 750 M C 1.561 177.808 176.300 -0.088 0.000 1.086 750 M CA 0.983 56.243 55.300 -0.066 0.000 1.096 750 M CB 0.007 32.642 32.600 0.058 0.000 1.424 750 M HN 0.050 nan 8.290 nan 0.000 0.488 751 A N -0.315 122.359 122.820 -0.243 0.000 2.308 751 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 751 A C 0.237 177.700 177.584 -0.203 0.000 1.216 751 A CA -0.306 51.665 52.037 -0.110 0.000 0.864 751 A CB -0.231 18.689 19.000 -0.134 0.000 0.902 751 A HN 0.294 nan 8.150 nan 0.000 0.499 752 N N 1.177 119.696 118.700 -0.302 0.000 2.458 752 N HA 0.150 4.890 4.740 -0.000 0.000 0.258 752 N C 0.152 175.262 175.510 -0.667 0.000 1.219 752 N CA 0.450 53.281 53.050 -0.366 0.000 0.902 752 N CB 0.364 38.681 38.487 -0.282 0.000 1.076 752 N HN 0.290 nan 8.380 nan 0.000 0.455 753 R N 0.759 120.889 120.500 -0.616 0.000 2.772 753 R HA 0.123 4.463 4.340 -0.000 0.000 0.358 753 R C -0.900 175.228 176.300 -0.286 0.000 1.143 753 R CA -0.431 55.083 56.100 -0.976 0.000 1.153 753 R CB 0.388 30.254 30.300 -0.724 0.000 1.329 753 R HN 0.408 nan 8.270 nan 0.000 0.615 754 D N 1.366 121.712 120.400 -0.089 0.000 2.412 754 D HA 0.021 4.661 4.640 -0.000 0.000 0.224 754 D C 0.175 176.631 176.300 0.260 0.000 1.093 754 D CA -0.493 53.556 54.000 0.081 0.000 0.850 754 D CB 0.846 41.640 40.800 -0.010 0.000 1.046 754 D HN 0.211 nan 8.370 nan 0.000 0.507 755 N N 1.439 120.335 118.700 0.328 0.000 2.322 755 N HA -0.002 4.738 4.740 -0.000 0.000 0.216 755 N C -0.401 175.155 175.510 0.076 0.000 1.144 755 N CA -0.511 52.670 53.050 0.218 0.000 0.830 755 N CB 0.069 38.614 38.487 0.097 0.000 1.034 755 N HN -0.028 nan 8.380 nan 0.000 0.484 756 S N 0.725 116.461 115.700 0.060 0.000 2.552 756 S HA 0.008 4.478 4.470 -0.000 0.000 0.289 756 S C -0.205 174.395 174.600 -0.001 0.000 1.304 756 S CA -0.022 58.191 58.200 0.022 0.000 1.063 756 S CB 0.487 63.694 63.200 0.011 0.000 0.848 756 S HN 0.476 nan 8.310 nan 0.000 0.499 757 D N 2.271 122.668 120.400 -0.005 0.000 2.443 757 D HA 0.383 5.023 4.640 -0.000 0.000 0.281 757 D C -1.767 174.528 176.300 -0.009 0.000 1.210 757 D CA -1.885 52.106 54.000 -0.014 0.000 0.875 757 D CB 0.704 41.492 40.800 -0.020 0.000 1.125 757 D HN 0.114 nan 8.370 nan 0.000 0.503 758 P HA -0.150 nan 4.420 nan 0.000 0.217 758 P C 1.272 178.569 177.300 -0.005 0.000 1.148 758 P CA 0.995 64.091 63.100 -0.008 0.000 0.828 758 P CB 0.163 31.856 31.700 -0.012 0.000 0.783 759 S N -2.142 113.555 115.700 -0.006 0.000 2.496 759 S HA 0.229 4.699 4.470 -0.000 0.000 0.224 759 S C 1.795 176.396 174.600 0.001 0.000 0.996 759 S CA 0.701 58.900 58.200 -0.001 0.000 0.927 759 S CB -1.014 62.186 63.200 0.000 0.000 0.774 759 S HN 0.318 nan 8.310 nan 0.000 0.524 760 G N 1.143 109.942 108.800 -0.001 0.000 2.179 760 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.260 760 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.260 760 G C 0.524 175.422 174.900 -0.004 0.000 0.977 760 G CA 0.440 45.540 45.100 0.001 0.000 0.641 760 G HN 0.544 nan 8.290 nan 0.000 0.533 761 L N 0.380 121.600 121.223 -0.006 0.000 2.591 761 L HA 0.403 4.743 4.340 -0.000 0.000 0.228 761 L C 2.135 178.990 176.870 -0.025 0.000 1.133 761 L CA 0.791 55.625 54.840 -0.010 0.000 0.880 761 L CB -0.120 41.940 42.059 0.001 0.000 1.033 761 L HN 1.017 nan 8.230 nan 0.000 0.450 762 G N 0.421 109.200 108.800 -0.034 0.000 2.136 762 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.242 762 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.242 762 G C -0.038 174.887 174.900 0.042 0.000 0.989 762 G CA -0.054 45.007 45.100 -0.066 0.000 0.682 762 G HN 0.391 nan 8.290 nan 0.000 0.522 763 N N 1.056 119.777 118.700 0.034 0.000 2.422 763 N HA 0.557 5.297 4.740 -0.000 0.000 0.266 763 N C 0.312 175.783 175.510 -0.065 0.000 1.007 763 N CA 0.480 53.533 53.050 0.006 0.000 0.941 763 N CB 0.991 39.486 38.487 0.014 0.000 1.115 763 N HN 0.365 nan 8.380 nan 0.000 0.492 764 T N 1.494 115.973 114.554 -0.124 0.000 3.332 764 T HA 0.271 4.621 4.350 -0.000 0.000 0.385 764 T C 1.424 175.984 174.700 -0.232 0.000 1.695 764 T CA -0.582 61.442 62.100 -0.126 0.000 1.397 764 T CB -0.462 68.364 68.868 -0.069 0.000 1.100 764 T HN 0.366 nan 8.240 nan 0.000 0.669 765 L N 1.430 122.534 121.223 -0.199 0.000 2.353 765 L HA 0.126 4.466 4.340 -0.000 0.000 0.220 765 L C 2.475 179.225 176.870 -0.201 0.000 1.133 765 L CA 1.228 55.928 54.840 -0.233 0.000 0.798 765 L CB -0.261 41.701 42.059 -0.162 0.000 0.922 765 L HN 0.757 nan 8.230 nan 0.000 0.445 766 G N -2.117 106.604 108.800 -0.131 0.000 3.042 766 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.212 766 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.212 766 G C 0.045 174.881 174.900 -0.106 0.000 1.166 766 G CA -0.363 44.676 45.100 -0.102 0.000 0.767 766 G HN 0.200 nan 8.290 nan 0.000 0.546 767 W N 1.454 122.566 121.300 -0.314 0.000 2.329 767 W HA 0.512 5.172 4.660 -0.000 0.000 0.312 767 W C 0.417 176.696 176.519 -0.400 0.000 1.054 767 W CA -0.485 56.677 57.345 -0.304 0.000 1.245 767 W CB 0.663 29.934 29.460 -0.315 0.000 1.255 767 W HN 0.430 nan 8.180 nan 0.000 0.436 768 A N 4.847 127.429 122.820 -0.398 0.000 6.082 768 A HA -0.266 4.054 4.320 -0.000 0.000 0.269 768 A C -1.469 176.062 177.584 -0.089 0.000 2.078 768 A CA 1.413 53.364 52.037 -0.144 0.000 0.711 768 A CB -1.577 17.504 19.000 0.134 0.000 1.114 768 A HN 1.016 nan 8.150 nan 0.000 0.371 769 W N -1.068 120.102 121.300 -0.217 0.000 3.259 769 W HA 0.632 5.291 4.660 -0.000 0.000 0.331 769 W C -0.236 176.194 176.519 -0.149 0.000 1.144 769 W CA 0.459 57.674 57.345 -0.216 0.000 1.227 769 W CB 1.306 30.670 29.460 -0.159 0.000 1.371 769 W HN 1.580 nan 8.180 nan 0.000 0.491 770 A N 6.056 128.314 122.820 -0.937 0.000 2.325 770 A HA 0.748 5.068 4.320 -0.000 0.000 0.333 770 A C -0.939 175.912 177.584 -1.222 0.000 1.155 770 A CA -0.735 50.845 52.037 -0.761 0.000 0.814 770 A CB 0.725 19.397 19.000 -0.547 0.000 1.206 770 A HN 0.867 nan 8.150 nan 0.000 0.482 771 W N 1.998 122.889 121.300 -0.682 0.000 2.449 771 W HA 0.657 5.317 4.660 -0.000 0.000 0.331 771 W C -3.019 173.348 176.519 -0.253 0.000 1.119 771 W CA -2.601 54.464 57.345 -0.466 0.000 1.240 771 W CB 1.033 30.536 29.460 0.070 0.000 1.251 771 W HN 0.420 nan 8.180 nan 0.000 0.576 772 P HA 0.255 nan 4.420 nan 0.000 0.292 772 P C 0.217 177.556 177.300 0.066 0.000 1.283 772 P CA -0.275 63.022 63.100 0.329 0.000 0.835 772 P CB 1.902 33.864 31.700 0.438 0.000 1.017 773 L N 0.832 122.160 121.223 0.175 0.000 3.829 773 L HA -0.324 4.016 4.340 -0.000 0.000 0.440 773 L C 0.497 177.258 176.870 -0.182 0.000 1.192 773 L CA 0.632 55.513 54.840 0.070 0.000 0.848 773 L CB -2.140 39.883 42.059 -0.061 0.000 1.744 773 L HN 0.628 nan 8.230 nan 0.000 0.920 774 N N -0.218 118.103 118.700 -0.632 0.000 2.753 774 N HA -0.202 4.537 4.740 -0.000 0.000 0.251 774 N C 0.271 175.524 175.510 -0.428 0.000 1.097 774 N CA 1.481 54.116 53.050 -0.691 0.000 0.786 774 N CB -0.330 37.891 38.487 -0.443 0.000 1.137 774 N HN 0.558 nan 8.380 nan 0.000 0.566 775 R N 0.657 120.951 120.500 -0.344 0.000 2.296 775 R HA 0.205 4.545 4.340 -0.000 0.000 0.323 775 R C 1.245 177.369 176.300 -0.293 0.000 1.067 775 R CA -0.374 55.570 56.100 -0.260 0.000 0.946 775 R CB 0.566 30.740 30.300 -0.211 0.000 0.991 775 R HN 0.116 nan 8.270 nan 0.000 0.448 776 R N 1.552 121.911 120.500 -0.235 0.000 2.127 776 R HA 0.066 4.406 4.340 -0.000 0.000 0.217 776 R C 0.268 176.543 176.300 -0.043 0.000 1.074 776 R CA 0.612 56.611 56.100 -0.168 0.000 0.991 776 R CB 0.303 30.470 30.300 -0.222 0.000 0.895 776 R HN 0.252 nan 8.270 nan 0.000 0.450 777 V N 3.098 122.958 119.914 -0.090 0.000 2.376 777 V HA 0.272 4.392 4.120 -0.000 0.000 0.287 777 V C 0.276 176.218 176.094 -0.253 0.000 1.015 777 V CA -0.648 61.583 62.300 -0.116 0.000 0.834 777 V CB 1.801 33.587 31.823 -0.063 0.000 1.001 777 V HN 0.043 nan 8.190 nan 0.000 0.428 778 L N 5.319 126.296 121.223 -0.409 0.000 2.467 778 L HA 0.284 4.624 4.340 -0.000 0.000 0.270 778 L C 0.766 177.214 176.870 -0.703 0.000 1.205 778 L CA -0.041 54.356 54.840 -0.738 0.000 0.828 778 L CB -0.188 41.142 42.059 -1.215 0.000 1.101 778 L HN 0.821 nan 8.230 nan 0.000 0.479 779 Y N -0.398 119.767 120.300 -0.224 0.000 4.409 779 Y HA -0.297 4.253 4.550 -0.000 0.000 0.228 779 Y C 1.436 177.090 175.900 -0.410 0.000 1.108 779 Y CA 0.332 58.190 58.100 -0.404 0.000 1.955 779 Y CB -2.047 36.137 38.460 -0.460 0.000 1.615 779 Y HN 0.859 nan 8.280 nan 0.000 0.665 780 N N 1.372 119.925 118.700 -0.244 0.000 2.585 780 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 780 N C 1.405 176.709 175.510 -0.342 0.000 1.102 780 N CA 1.341 54.257 53.050 -0.224 0.000 0.920 780 N CB -0.128 38.259 38.487 -0.167 0.000 0.963 780 N HN 0.526 nan 8.380 nan 0.000 0.447 781 R N 0.828 120.991 120.500 -0.562 0.000 2.148 781 R HA 0.162 4.502 4.340 -0.000 0.000 0.227 781 R C 1.563 177.446 176.300 -0.695 0.000 1.103 781 R CA 1.168 56.730 56.100 -0.896 0.000 0.983 781 R CB -0.812 28.574 30.300 -1.522 0.000 0.874 781 R HN 0.287 nan 8.270 nan 0.000 0.451 782 A N -0.032 122.441 122.820 -0.578 0.000 2.235 782 A HA 0.007 4.327 4.320 -0.000 0.000 0.208 782 A C 1.692 179.421 177.584 0.241 0.000 1.172 782 A CA 0.870 52.694 52.037 -0.354 0.000 0.786 782 A CB -0.601 18.138 19.000 -0.434 0.000 0.804 782 A HN 0.511 nan 8.150 nan 0.000 0.479 783 S N -1.178 114.572 115.700 0.083 0.000 2.562 783 S HA 0.530 4.999 4.470 -0.000 0.000 0.221 783 S C 0.707 175.396 174.600 0.150 0.000 0.975 783 S CA 0.373 58.718 58.200 0.243 0.000 0.918 783 S CB -0.253 62.993 63.200 0.077 0.000 0.772 783 S HN 0.928 nan 8.310 nan 0.000 0.531 784 A N 1.620 124.375 122.820 -0.108 0.000 2.423 784 A HA 0.673 4.992 4.320 -0.000 0.000 0.304 784 A C -0.493 176.686 177.584 -0.675 0.000 1.104 784 A CA -0.703 51.073 52.037 -0.436 0.000 0.757 784 A CB 0.988 19.882 19.000 -0.177 0.000 1.313 784 A HN 0.407 nan 8.150 nan 0.000 0.423 785 D N -0.199 119.581 120.400 -1.032 0.000 2.398 785 D HA 0.187 4.827 4.640 -0.000 0.000 0.264 785 D C 1.410 177.520 176.300 -0.317 0.000 1.263 785 D CA 0.072 53.514 54.000 -0.930 0.000 1.037 785 D CB -0.008 40.139 40.800 -1.089 0.000 1.101 785 D HN 0.606 nan 8.370 nan 0.000 0.551 786 I N -3.157 117.239 120.570 -0.290 0.000 2.567 786 I HA -0.154 4.016 4.170 -0.000 0.000 0.257 786 I C 0.701 176.726 176.117 -0.154 0.000 1.184 786 I CA 1.034 62.207 61.300 -0.213 0.000 1.451 786 I CB -0.565 37.184 38.000 -0.418 0.000 1.089 786 I HN 0.096 nan 8.210 nan 0.000 0.441 787 N N 1.512 120.110 118.700 -0.171 0.000 2.322 787 N HA 0.116 4.856 4.740 -0.000 0.000 0.194 787 N C 1.424 176.887 175.510 -0.079 0.000 1.126 787 N CA 0.975 53.951 53.050 -0.124 0.000 0.845 787 N CB 0.832 39.248 38.487 -0.119 0.000 0.976 787 N HN 0.676 nan 8.380 nan 0.000 0.475 788 G N 1.192 109.973 108.800 -0.031 0.000 2.159 788 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.256 788 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.256 788 G C 0.129 175.041 174.900 0.021 0.000 0.977 788 G CA 0.195 45.371 45.100 0.126 0.000 0.652 788 G HN 0.434 nan 8.290 nan 0.000 0.531 789 K N 1.198 121.526 120.400 -0.120 0.000 2.234 789 K HA 0.527 4.847 4.320 -0.000 0.000 0.282 789 K C -2.321 174.141 176.600 -0.230 0.000 1.039 789 K CA -2.115 54.092 56.287 -0.134 0.000 0.928 789 K CB 1.103 33.519 32.500 -0.139 0.000 1.039 789 K HN -0.003 nan 8.250 nan 0.000 0.470 790 P HA -0.073 nan 4.420 nan 0.000 0.265 790 P C -0.403 176.852 177.300 -0.076 0.000 1.193 790 P CA 0.070 63.114 63.100 -0.092 0.000 0.765 790 P CB 0.322 32.027 31.700 0.008 0.000 0.823 791 W N 0.815 122.158 121.300 0.072 0.000 2.374 791 W HA -0.087 4.573 4.660 -0.000 0.000 0.288 791 W C 0.730 177.277 176.519 0.048 0.000 1.218 791 W CA 0.772 58.160 57.345 0.071 0.000 1.245 791 W CB 0.058 29.578 29.460 0.099 0.000 1.126 791 W HN 0.285 nan 8.180 nan 0.000 0.545 792 D N -1.016 119.532 120.400 0.246 0.000 2.542 792 D HA 0.131 4.771 4.640 -0.000 0.000 0.252 792 D C -1.589 174.767 176.300 0.092 0.000 1.222 792 D CA -2.435 51.653 54.000 0.147 0.000 0.895 792 D CB 1.790 42.666 40.800 0.126 0.000 1.207 792 D HN -0.220 nan 8.370 nan 0.000 0.558 793 P HA -0.117 nan 4.420 nan 0.000 0.223 793 P C 0.575 177.898 177.300 0.038 0.000 1.144 793 P CA 0.728 63.853 63.100 0.043 0.000 0.783 793 P CB 0.462 32.182 31.700 0.033 0.000 0.771 794 K N -0.471 119.954 120.400 0.041 0.000 2.444 794 K HA 0.106 4.426 4.320 -0.000 0.000 0.193 794 K C 1.002 177.622 176.600 0.033 0.000 1.024 794 K CA 0.195 56.501 56.287 0.032 0.000 1.077 794 K CB 0.243 32.761 32.500 0.030 0.000 0.833 794 K HN 0.075 nan 8.250 nan 0.000 0.517 795 R N 1.002 121.528 120.500 0.044 0.000 2.701 795 R HA 0.203 4.543 4.340 -0.000 0.000 0.281 795 R C -0.717 175.612 176.300 0.049 0.000 1.367 795 R CA -0.286 55.839 56.100 0.042 0.000 1.510 795 R CB 0.744 31.073 30.300 0.049 0.000 1.306 795 R HN 0.022 nan 8.270 nan 0.000 0.682 796 M N 2.206 121.830 119.600 0.040 0.000 2.162 796 M HA 0.158 4.637 4.480 -0.000 0.000 0.356 796 M C -0.106 176.215 176.300 0.035 0.000 1.303 796 M CA 0.377 55.702 55.300 0.041 0.000 1.116 796 M CB 0.764 33.387 32.600 0.038 0.000 1.632 796 M HN 0.513 nan 8.290 nan 0.000 0.469 797 L N 6.082 127.325 121.223 0.034 0.000 2.349 797 L HA 0.322 4.662 4.340 -0.000 0.000 0.200 797 L C 0.656 177.547 176.870 0.034 0.000 1.064 797 L CA 0.445 55.296 54.840 0.018 0.000 0.821 797 L CB 0.287 42.343 42.059 -0.004 0.000 1.027 797 L HN 0.749 nan 8.230 nan 0.000 0.476 798 I N -2.049 118.558 120.570 0.061 0.000 2.969 798 I HA 0.492 4.662 4.170 -0.000 0.000 0.307 798 I C -1.422 174.870 176.117 0.291 0.000 1.149 798 I CA -0.637 60.758 61.300 0.159 0.000 1.008 798 I CB 2.229 40.311 38.000 0.138 0.000 1.232 798 I HN 0.051 nan 8.210 nan 0.000 0.435 799 Q N 3.718 123.757 119.800 0.397 0.000 2.482 799 Q HA 0.318 4.658 4.340 -0.000 0.000 0.286 799 Q C -2.123 173.953 176.000 0.127 0.000 1.007 799 Q CA -0.863 55.132 55.803 0.321 0.000 0.801 799 Q CB 2.439 31.251 28.738 0.123 0.000 1.455 799 Q HN 0.888 nan 8.270 nan 0.000 0.398 800 W N 4.244 125.234 121.300 -0.516 0.000 2.338 800 W HA 0.209 4.869 4.660 -0.000 0.000 0.307 800 W C -0.274 176.002 176.519 -0.405 0.000 1.167 800 W CA -0.318 56.516 57.345 -0.852 0.000 1.208 800 W CB 1.293 30.052 29.460 -1.168 0.000 1.228 800 W HN 1.018 nan 8.180 nan 0.000 0.499 801 N N 3.845 122.078 118.700 -0.779 0.000 2.230 801 N HA 0.141 4.881 4.740 -0.000 0.000 0.202 801 N C 0.988 176.084 175.510 -0.691 0.000 1.119 801 N CA 0.587 53.301 53.050 -0.560 0.000 0.851 801 N CB 0.491 38.745 38.487 -0.388 0.000 0.990 801 N HN 0.745 nan 8.380 nan 0.000 0.497 802 G N -0.574 107.467 108.800 -1.265 0.000 2.259 802 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.217 802 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.217 802 G C 0.746 175.143 174.900 -0.838 0.000 1.001 802 G CA 0.514 45.160 45.100 -0.757 0.000 0.627 802 G HN 0.813 nan 8.290 nan 0.000 0.501 803 S N -0.922 114.054 115.700 -1.207 0.000 2.617 803 S HA 0.467 4.937 4.470 -0.000 0.000 0.278 803 S C 0.261 174.325 174.600 -0.893 0.000 1.082 803 S CA 0.969 58.694 58.200 -0.791 0.000 1.228 803 S CB 0.655 63.639 63.200 -0.361 0.000 1.130 803 S HN 1.442 nan 8.310 nan 0.000 0.621 804 K N -0.592 119.124 120.400 -1.139 0.000 2.578 804 K HA 0.547 4.867 4.320 -0.000 0.000 0.287 804 K C -2.076 174.264 176.600 -0.434 0.000 1.010 804 K CA -0.988 54.993 56.287 -0.510 0.000 0.889 804 K CB 0.514 32.908 32.500 -0.178 0.000 1.514 804 K HN 0.130 nan 8.250 nan 0.000 0.424 805 W N 1.756 123.127 121.300 0.119 0.000 2.351 805 W HA 0.425 5.085 4.660 -0.000 0.000 0.311 805 W C 0.049 176.599 176.519 0.051 0.000 1.168 805 W CA 0.266 57.720 57.345 0.182 0.000 1.200 805 W CB 1.975 31.607 29.460 0.287 0.000 1.221 805 W HN 0.777 nan 8.180 nan 0.000 0.519 806 T N 0.093 114.780 114.554 0.222 0.000 2.812 806 T HA 0.952 5.301 4.350 -0.000 0.000 0.294 806 T C -0.071 174.698 174.700 0.114 0.000 1.159 806 T CA -0.211 61.955 62.100 0.111 0.000 1.008 806 T CB 1.918 70.793 68.868 0.013 0.000 1.289 806 T HN 0.998 nan 8.240 nan 0.000 0.514 807 G N 0.315 109.150 108.800 0.059 0.000 2.398 807 G HA2 0.158 4.118 3.960 -0.000 0.000 0.251 807 G HA3 0.158 4.118 3.960 -0.000 0.000 0.251 807 G C -0.593 174.318 174.900 0.018 0.000 1.277 807 G CA -0.394 44.734 45.100 0.048 0.000 0.927 807 G HN 0.636 nan 8.290 nan 0.000 0.477 808 N N 0.821 119.529 118.700 0.014 0.000 2.398 808 N HA 0.180 4.920 4.740 -0.000 0.000 0.188 808 N C -0.508 174.991 175.510 -0.018 0.000 1.122 808 N CA 0.873 53.921 53.050 -0.002 0.000 0.866 808 N CB 0.667 39.156 38.487 0.003 0.000 0.970 808 N HN 0.529 nan 8.380 nan 0.000 0.462 809 D N -0.574 119.815 120.400 -0.019 0.000 2.570 809 D HA 0.289 4.929 4.640 -0.000 0.000 0.244 809 D C -0.796 175.478 176.300 -0.043 0.000 1.178 809 D CA -0.628 53.343 54.000 -0.047 0.000 0.881 809 D CB 1.671 42.441 40.800 -0.050 0.000 1.453 809 D HN -0.303 nan 8.370 nan 0.000 0.447 810 I N 2.493 123.019 120.570 -0.073 0.000 2.471 810 I HA 0.229 4.399 4.170 -0.000 0.000 0.286 810 I C -1.921 174.168 176.117 -0.047 0.000 1.079 810 I CA -2.002 59.265 61.300 -0.055 0.000 1.398 810 I CB 0.209 38.156 38.000 -0.089 0.000 1.403 810 I HN 0.169 nan 8.210 nan 0.000 0.530 811 P HA 0.002 nan 4.420 nan 0.000 0.267 811 P C -0.183 177.106 177.300 -0.019 0.000 1.209 811 P CA 0.020 63.118 63.100 -0.002 0.000 0.763 811 P CB 0.391 32.158 31.700 0.112 0.000 0.816 812 D N 3.706 124.062 120.400 -0.073 0.000 2.896 812 D HA 0.283 4.923 4.640 -0.000 0.000 0.240 812 D C -1.084 175.253 176.300 0.061 0.000 1.193 812 D CA 0.085 54.052 54.000 -0.056 0.000 0.983 812 D CB -1.087 39.624 40.800 -0.147 0.000 1.074 812 D HN 0.050 nan 8.370 nan 0.000 0.496 813 F N -0.650 119.204 119.950 -0.159 0.000 2.807 813 F HA 0.549 5.076 4.527 -0.000 0.000 0.316 813 F C 0.419 176.182 175.800 -0.061 0.000 1.162 813 F CA -0.589 57.309 58.000 -0.172 0.000 0.910 813 F CB 0.737 39.515 39.000 -0.370 0.000 1.314 813 F HN 0.018 nan 8.300 nan 0.000 0.454 814 G N 0.756 109.251 108.800 -0.508 0.000 2.714 814 G HA2 0.221 4.180 3.960 -0.000 0.000 0.197 814 G HA3 0.221 4.180 3.960 -0.000 0.000 0.197 814 G C -0.225 174.645 174.900 -0.050 0.000 1.449 814 G CA -0.004 44.949 45.100 -0.245 0.000 1.065 814 G HN 0.748 nan 8.290 nan 0.000 0.575 815 N N -0.302 118.442 118.700 0.073 0.000 2.321 815 N HA 0.345 5.085 4.740 -0.000 0.000 0.242 815 N C 0.310 176.050 175.510 0.384 0.000 1.141 815 N CA -0.031 53.254 53.050 0.391 0.000 0.864 815 N CB 0.278 38.952 38.487 0.311 0.000 1.100 815 N HN 0.482 nan 8.380 nan 0.000 0.510 816 A N 0.443 123.342 122.820 0.132 0.000 2.491 816 A HA 0.571 4.891 4.320 -0.000 0.000 0.261 816 A C 0.833 178.497 177.584 0.133 0.000 1.101 816 A CA -0.230 51.865 52.037 0.098 0.000 0.772 816 A CB -0.325 18.656 19.000 -0.032 0.000 1.043 816 A HN 0.574 nan 8.150 nan 0.000 0.501 817 A N 4.828 127.488 122.820 -0.267 0.000 2.406 817 A HA 0.556 4.876 4.320 -0.000 0.000 0.243 817 A C -2.253 175.043 177.584 -0.480 0.000 1.082 817 A CA -1.158 50.309 52.037 -0.949 0.000 0.786 817 A CB -0.498 18.119 19.000 -0.639 0.000 1.029 817 A HN 0.647 nan 8.150 nan 0.000 0.495 818 P HA 0.298 nan 4.420 nan 0.000 0.266 818 P C 0.990 178.179 177.300 -0.185 0.000 1.195 818 P CA 1.737 64.693 63.100 -0.239 0.000 0.768 818 P CB 0.707 32.223 31.700 -0.305 0.000 0.838 819 G N 1.041 109.778 108.800 -0.106 0.000 2.241 819 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 819 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 819 G C 0.408 175.275 174.900 -0.055 0.000 0.998 819 G CA 0.330 45.374 45.100 -0.092 0.000 0.621 819 G HN 0.806 nan 8.290 nan 0.000 0.519 820 T N -0.798 113.734 114.554 -0.037 0.000 2.849 820 T HA 0.598 4.948 4.350 -0.000 0.000 0.284 820 T C -0.839 173.878 174.700 0.028 0.000 1.004 820 T CA -0.573 61.524 62.100 -0.005 0.000 1.021 820 T CB 1.740 70.609 68.868 0.001 0.000 1.013 820 T HN -0.003 nan 8.240 nan 0.000 0.527 821 P HA 0.127 nan 4.420 nan 0.000 0.242 821 P C 0.125 177.469 177.300 0.072 0.000 1.197 821 P CA 0.084 63.212 63.100 0.046 0.000 0.765 821 P CB -0.335 31.373 31.700 0.013 0.000 0.936 822 T N 1.095 115.701 114.554 0.087 0.000 2.793 822 T HA 0.315 4.665 4.350 -0.000 0.000 0.289 822 T C 1.063 175.888 174.700 0.209 0.000 0.956 822 T CA 0.028 62.200 62.100 0.120 0.000 1.177 822 T CB 0.346 69.259 68.868 0.076 0.000 0.897 822 T HN 0.074 nan 8.240 nan 0.000 0.533 823 G N 4.216 113.125 108.800 0.182 0.000 2.527 823 G HA2 0.350 4.310 3.960 -0.000 0.000 0.248 823 G HA3 0.350 4.310 3.960 -0.000 0.000 0.248 823 G C -1.082 173.906 174.900 0.147 0.000 1.231 823 G CA -1.387 43.817 45.100 0.173 0.000 0.838 823 G HN 0.419 nan 8.290 nan 0.000 0.570 824 P HA 0.045 nan 4.420 nan 0.000 0.241 824 P C -0.159 176.887 177.300 -0.424 0.000 1.191 824 P CA 0.389 63.189 63.100 -0.501 0.000 0.771 824 P CB 0.230 31.272 31.700 -1.097 0.000 0.929 825 F N 1.690 121.649 119.950 0.016 0.000 2.359 825 F HA 0.278 4.805 4.527 -0.000 0.000 0.355 825 F C 1.994 177.894 175.800 0.167 0.000 1.132 825 F CA -0.872 57.182 58.000 0.089 0.000 1.246 825 F CB -0.138 38.867 39.000 0.008 0.000 1.569 825 F HN -0.205 nan 8.300 nan 0.000 0.561 826 I N -0.892 119.850 120.570 0.287 0.000 3.083 826 I HA -0.158 4.011 4.170 -0.000 0.000 0.273 826 I C 1.265 177.550 176.117 0.281 0.000 1.297 826 I CA 1.152 62.601 61.300 0.249 0.000 1.452 826 I CB -0.062 38.042 38.000 0.173 0.000 1.078 826 I HN 0.324 nan 8.210 nan 0.000 0.484 827 M N 0.234 120.034 119.600 0.333 0.000 2.428 827 M HA 0.256 4.736 4.480 -0.000 0.000 0.239 827 M C 0.355 176.908 176.300 0.423 0.000 1.121 827 M CA 0.426 55.943 55.300 0.362 0.000 1.019 827 M CB -0.431 32.394 32.600 0.374 0.000 1.485 827 M HN 0.282 nan 8.290 nan 0.000 0.484 828 Q N 0.748 120.758 119.800 0.350 0.000 2.256 828 Q HA 0.234 4.574 4.340 -0.000 0.000 0.254 828 Q C -1.720 174.433 176.000 0.255 0.000 0.916 828 Q CA -1.545 54.431 55.803 0.288 0.000 0.932 828 Q CB 1.080 29.965 28.738 0.245 0.000 1.207 828 Q HN 0.020 nan 8.270 nan 0.000 0.426 829 P HA -0.170 nan 4.420 nan 0.000 0.221 829 P C 0.750 178.152 177.300 0.170 0.000 1.145 829 P CA 1.225 64.447 63.100 0.202 0.000 0.795 829 P CB 0.440 32.254 31.700 0.190 0.000 0.775 830 E N -1.677 118.625 120.200 0.169 0.000 2.498 830 E HA 0.129 4.479 4.350 -0.000 0.000 0.203 830 E C 1.227 177.904 176.600 0.129 0.000 1.013 830 E CA 0.672 57.144 56.400 0.120 0.000 0.927 830 E CB -0.781 28.983 29.700 0.106 0.000 1.012 830 E HN 0.136 nan 8.360 nan 0.000 0.482 831 G N 1.670 110.580 108.800 0.183 0.000 2.166 831 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.260 831 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.260 831 G C 0.151 175.235 174.900 0.307 0.000 0.986 831 G CA 1.192 46.432 45.100 0.233 0.000 0.683 831 G HN 0.310 nan 8.290 nan 0.000 0.527 832 M N -0.333 119.411 119.600 0.239 0.000 2.716 832 M HA 0.619 5.098 4.480 -0.000 0.000 0.307 832 M C 0.748 176.960 176.300 -0.147 0.000 1.223 832 M CA -0.304 55.111 55.300 0.192 0.000 0.871 832 M CB 2.062 34.742 32.600 0.134 0.000 1.739 832 M HN 0.187 nan 8.290 nan 0.000 0.475 833 G N 0.961 109.500 108.800 -0.435 0.000 2.370 833 G HA2 0.485 4.445 3.960 -0.000 0.000 0.272 833 G HA3 0.485 4.445 3.960 -0.000 0.000 0.272 833 G C -0.651 174.146 174.900 -0.172 0.000 1.208 833 G CA -0.643 44.073 45.100 -0.640 0.000 0.856 833 G HN 0.620 nan 8.290 nan 0.000 0.500 834 R N 2.687 123.097 120.500 -0.152 0.000 2.202 834 R HA 0.241 4.581 4.340 -0.000 0.000 0.334 834 R C 0.794 177.085 176.300 -0.016 0.000 1.036 834 R CA -0.502 55.576 56.100 -0.037 0.000 0.878 834 R CB 1.390 31.655 30.300 -0.059 0.000 1.067 834 R HN 0.486 nan 8.270 nan 0.000 0.457 835 L N 2.288 123.575 121.223 0.106 0.000 2.162 835 L HA 0.113 4.453 4.340 -0.000 0.000 0.205 835 L C 0.556 177.570 176.870 0.240 0.000 1.086 835 L CA 0.792 55.735 54.840 0.170 0.000 0.778 835 L CB 0.118 42.333 42.059 0.261 0.000 0.928 835 L HN 0.437 nan 8.230 nan 0.000 0.446 836 F N 0.293 120.227 119.950 -0.026 0.000 2.388 836 F HA 0.485 5.012 4.527 -0.000 0.000 0.358 836 F C 0.745 176.334 175.800 -0.352 0.000 1.122 836 F CA -1.190 56.582 58.000 -0.379 0.000 1.056 836 F CB 1.212 39.951 39.000 -0.436 0.000 1.155 836 F HN -0.196 nan 8.300 nan 0.000 0.461 837 A N 8.251 130.644 122.820 -0.712 0.000 2.346 837 A HA 0.295 4.615 4.320 -0.000 0.000 0.242 837 A C 1.440 178.685 177.584 -0.565 0.000 1.323 837 A CA 0.357 52.085 52.037 -0.516 0.000 0.940 837 A CB -1.851 16.889 19.000 -0.433 0.000 0.943 837 A HN 1.030 nan 8.150 nan 0.000 0.501 838 I N -2.759 117.372 120.570 -0.732 0.000 4.908 838 I HA -0.474 3.695 4.170 -0.000 0.000 0.038 838 I C 0.809 176.760 176.117 -0.277 0.000 0.635 838 I CA 2.018 63.023 61.300 -0.491 0.000 0.213 838 I CB -1.027 36.748 38.000 -0.375 0.000 0.323 838 I HN 0.514 nan 8.210 nan 0.000 0.152 839 N N 1.707 120.337 118.700 -0.118 0.000 2.327 839 N HA 0.133 4.873 4.740 -0.000 0.000 0.231 839 N C 0.590 176.081 175.510 -0.033 0.000 1.130 839 N CA -0.123 52.922 53.050 -0.009 0.000 0.845 839 N CB 0.329 38.770 38.487 -0.078 0.000 1.073 839 N HN 0.522 nan 8.380 nan 0.000 0.496 840 K N -0.112 120.241 120.400 -0.078 0.000 2.262 840 K HA 0.182 4.502 4.320 -0.000 0.000 0.200 840 K C 0.495 177.068 176.600 -0.046 0.000 1.049 840 K CA 0.500 56.746 56.287 -0.068 0.000 0.979 840 K CB 0.122 32.565 32.500 -0.096 0.000 0.773 840 K HN 0.287 nan 8.250 nan 0.000 0.474 841 M N -0.104 119.462 119.600 -0.057 0.000 2.318 841 M HA 0.286 4.766 4.480 -0.000 0.000 0.347 841 M C 1.217 177.572 176.300 0.092 0.000 1.175 841 M CA -0.491 54.787 55.300 -0.037 0.000 1.075 841 M CB 0.951 33.460 32.600 -0.152 0.000 1.614 841 M HN -0.065 nan 8.290 nan 0.000 0.456 842 A N 2.165 125.040 122.820 0.092 0.000 1.930 842 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 842 A C 1.374 179.146 177.584 0.314 0.000 1.175 842 A CA 1.524 53.663 52.037 0.170 0.000 0.627 842 A CB -0.324 18.744 19.000 0.114 0.000 0.815 842 A HN 0.831 nan 8.150 nan 0.000 0.443 843 E N -0.436 119.888 120.200 0.207 0.000 2.499 843 E HA 0.410 4.760 4.350 -0.000 0.000 0.199 843 E C 0.349 176.887 176.600 -0.104 0.000 1.016 843 E CA 0.465 57.026 56.400 0.269 0.000 0.933 843 E CB -0.513 29.343 29.700 0.260 0.000 1.050 843 E HN 0.902 nan 8.360 nan 0.000 0.462 844 G N 2.439 110.855 108.800 -0.640 0.000 2.351 844 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.472 844 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.472 844 G C -2.724 171.297 174.900 -1.466 0.000 1.570 844 G CA -0.452 43.571 45.100 -1.795 0.000 0.921 844 G HN -0.135 nan 8.290 nan 0.000 0.674 845 P HA 0.174 nan 4.420 nan 0.000 0.233 845 P C -0.084 176.456 177.300 -1.266 0.000 1.167 845 P CA 0.716 62.829 63.100 -1.644 0.000 0.770 845 P CB 0.093 30.265 31.700 -2.546 0.000 0.837 846 F N 0.154 119.563 119.950 -0.902 0.000 2.576 846 F HA 0.520 5.047 4.527 -0.000 0.000 0.313 846 F C -2.355 173.228 175.800 -0.361 0.000 1.078 846 F CA -3.395 54.269 58.000 -0.560 0.000 0.921 846 F CB 1.012 39.588 39.000 -0.707 0.000 1.232 846 F HN -0.350 nan 8.300 nan 0.000 0.459 847 P HA 0.295 nan 4.420 nan 0.000 0.274 847 P C -1.228 176.145 177.300 0.122 0.000 1.231 847 P CA -0.106 62.986 63.100 -0.014 0.000 0.790 847 P CB 0.884 32.510 31.700 -0.123 0.000 0.951 848 E N 0.301 120.558 120.200 0.094 0.000 2.335 848 E HA 0.242 4.592 4.350 -0.000 0.000 0.280 848 E C -1.571 174.892 176.600 -0.229 0.000 0.918 848 E CA -0.751 55.664 56.400 0.026 0.000 0.765 848 E CB 0.615 30.344 29.700 0.048 0.000 1.218 848 E HN 0.408 nan 8.360 nan 0.000 0.425 849 H N 3.318 122.282 119.070 -0.177 0.000 2.929 849 H HA 0.324 4.880 4.556 -0.000 0.000 0.317 849 H C -1.336 173.763 175.328 -0.382 0.000 1.031 849 H CA 0.762 56.695 56.048 -0.191 0.000 1.466 849 H CB 0.053 29.798 29.762 -0.028 0.000 1.482 849 H HN 0.360 nan 8.280 nan 0.000 0.561 850 Y N 2.872 122.835 120.300 -0.562 0.000 2.457 850 Y HA 0.242 4.792 4.550 -0.000 0.000 0.343 850 Y C 0.088 175.684 175.900 -0.507 0.000 0.994 850 Y CA -1.138 56.742 58.100 -0.366 0.000 1.031 850 Y CB 1.420 39.843 38.460 -0.061 0.000 1.246 850 Y HN 0.604 nan 8.280 nan 0.000 0.449 851 E N 3.584 123.706 120.200 -0.131 0.000 2.374 851 E HA 0.243 4.593 4.350 -0.000 0.000 0.260 851 E C -2.409 174.237 176.600 0.076 0.000 1.101 851 E CA -1.704 54.694 56.400 -0.004 0.000 0.907 851 E CB 0.411 30.158 29.700 0.079 0.000 1.014 851 E HN 0.283 nan 8.360 nan 0.000 0.427 852 P HA 0.018 nan 4.420 nan 0.000 0.270 852 P C 1.152 178.517 177.300 0.109 0.000 1.223 852 P CA -0.315 62.870 63.100 0.143 0.000 0.785 852 P CB 0.537 32.348 31.700 0.184 0.000 0.923 853 I N 0.062 120.688 120.570 0.093 0.000 2.208 853 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 853 I C 0.913 177.078 176.117 0.081 0.000 1.097 853 I CA 1.795 63.134 61.300 0.066 0.000 1.363 853 I CB -1.137 36.886 38.000 0.039 0.000 1.051 853 I HN 0.434 nan 8.210 nan 0.000 0.413 854 E N 0.960 121.224 120.200 0.108 0.000 2.035 854 E HA 0.193 4.543 4.350 -0.000 0.000 0.271 854 E C -0.130 176.545 176.600 0.125 0.000 0.953 854 E CA -0.109 56.363 56.400 0.119 0.000 0.777 854 E CB 1.052 30.841 29.700 0.149 0.000 1.104 854 E HN 0.044 nan 8.360 nan 0.000 0.408 855 T N 2.119 116.737 114.554 0.106 0.000 2.823 855 T HA 0.303 4.653 4.350 -0.000 0.000 0.279 855 T C -1.814 172.938 174.700 0.087 0.000 0.998 855 T CA -2.430 59.731 62.100 0.102 0.000 0.994 855 T CB 1.329 70.257 68.868 0.101 0.000 0.960 855 T HN 0.147 nan 8.240 nan 0.000 0.448 856 P HA 0.051 nan 4.420 nan 0.000 0.230 856 P C 1.263 178.595 177.300 0.053 0.000 1.158 856 P CA 0.624 63.762 63.100 0.064 0.000 0.769 856 P CB 0.227 31.970 31.700 0.071 0.000 0.807 857 L N -1.794 119.465 121.223 0.060 0.000 2.408 857 L HA 0.267 4.607 4.340 -0.000 0.000 0.215 857 L C 1.863 178.760 176.870 0.045 0.000 1.081 857 L CA 0.841 55.710 54.840 0.049 0.000 0.840 857 L CB -1.058 41.032 42.059 0.053 0.000 1.002 857 L HN 0.057 nan 8.230 nan 0.000 0.468 858 G N 0.651 109.483 108.800 0.054 0.000 2.155 858 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 858 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 858 G C 0.314 175.244 174.900 0.049 0.000 0.983 858 G CA 0.678 45.808 45.100 0.050 0.000 0.676 858 G HN 0.401 nan 8.290 nan 0.000 0.528 859 T N -1.377 113.210 114.554 0.055 0.000 2.718 859 T HA 0.532 4.882 4.350 -0.000 0.000 0.306 859 T C -1.963 172.776 174.700 0.066 0.000 1.485 859 T CA 0.129 62.262 62.100 0.054 0.000 0.997 859 T CB 1.590 70.480 68.868 0.037 0.000 1.504 859 T HN 0.447 nan 8.240 nan 0.000 0.497 860 N N 1.467 120.205 118.700 0.063 0.000 2.524 860 N HA 0.431 5.171 4.740 -0.000 0.000 0.261 860 N C -2.171 173.331 175.510 -0.015 0.000 0.998 860 N CA -2.075 51.008 53.050 0.055 0.000 0.915 860 N CB 1.937 40.468 38.487 0.075 0.000 1.187 860 N HN 0.233 nan 8.380 nan 0.000 0.507 861 P HA -0.087 nan 4.420 nan 0.000 0.218 861 P C 1.506 178.721 177.300 -0.141 0.000 1.146 861 P CA 0.846 63.902 63.100 -0.075 0.000 0.813 861 P CB 0.581 32.233 31.700 -0.079 0.000 0.778 862 L N -2.058 119.017 121.223 -0.247 0.000 2.156 862 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 862 L C 0.232 176.914 176.870 -0.313 0.000 1.095 862 L CA 1.017 55.628 54.840 -0.381 0.000 0.770 862 L CB -0.431 41.280 42.059 -0.580 0.000 0.914 862 L HN 0.275 nan 8.230 nan 0.000 0.439 863 H N -5.171 113.896 119.070 -0.006 0.000 3.139 863 H HA 0.226 4.782 4.556 -0.000 0.000 0.322 863 H C -2.508 172.829 175.328 0.016 0.000 1.345 863 H CA -1.767 54.276 56.048 -0.009 0.000 1.637 863 H CB -0.269 29.485 29.762 -0.012 0.000 1.959 863 H HN -0.223 nan 8.280 nan 0.000 0.586 864 P HA -0.139 nan 4.420 nan 0.000 0.220 864 P C 0.502 177.852 177.300 0.083 0.000 1.144 864 P CA 1.356 64.502 63.100 0.077 0.000 0.800 864 P CB 0.258 31.980 31.700 0.037 0.000 0.772 865 N N -1.385 117.363 118.700 0.080 0.000 2.409 865 N HA 0.006 4.746 4.740 -0.000 0.000 0.179 865 N C -0.354 175.178 175.510 0.036 0.000 1.032 865 N CA 0.278 53.350 53.050 0.037 0.000 0.898 865 N CB 0.206 38.692 38.487 -0.002 0.000 0.971 865 N HN -0.052 nan 8.380 nan 0.000 0.441 866 V N 1.298 121.274 119.914 0.103 0.000 2.380 866 V HA 0.140 4.260 4.120 -0.000 0.000 0.272 866 V C 0.762 177.026 176.094 0.282 0.000 1.011 866 V CA -0.287 62.076 62.300 0.105 0.000 0.826 866 V CB 1.385 33.205 31.823 -0.005 0.000 1.040 866 V HN -0.099 nan 8.190 nan 0.000 0.441 867 V N 2.054 122.070 119.914 0.171 0.000 2.239 867 V HA -0.032 4.088 4.120 -0.000 0.000 0.242 867 V C 1.240 177.449 176.094 0.191 0.000 1.038 867 V CA 1.592 63.995 62.300 0.171 0.000 1.002 867 V CB 0.083 31.965 31.823 0.099 0.000 0.641 867 V HN 0.731 nan 8.190 nan 0.000 0.449 868 S N -0.440 115.320 115.700 0.100 0.000 2.747 868 S HA 0.315 4.785 4.470 -0.000 0.000 0.300 868 S C -0.109 174.398 174.600 -0.155 0.000 1.121 868 S CA -0.528 57.706 58.200 0.057 0.000 0.995 868 S CB 0.883 64.100 63.200 0.027 0.000 1.113 868 S HN 0.480 nan 8.310 nan 0.000 0.547 869 N N 3.179 121.739 118.700 -0.234 0.000 2.315 869 N HA -0.025 4.715 4.740 -0.000 0.000 0.270 869 N C -1.549 173.735 175.510 -0.377 0.000 1.329 869 N CA -1.003 51.730 53.050 -0.529 0.000 0.860 869 N CB 0.676 39.059 38.487 -0.173 0.000 1.095 869 N HN 0.268 nan 8.380 nan 0.000 0.487 870 P HA -0.051 nan 4.420 nan 0.000 0.239 870 P C 0.520 177.813 177.300 -0.011 0.000 1.184 870 P CA 0.616 63.571 63.100 -0.243 0.000 0.760 870 P CB 0.490 31.895 31.700 -0.493 0.000 0.884 871 V N -0.603 119.310 119.914 -0.002 0.000 3.380 871 V HA 0.078 4.198 4.120 -0.000 0.000 0.307 871 V C 0.992 177.089 176.094 0.004 0.000 1.434 871 V CA -0.162 62.178 62.300 0.066 0.000 1.075 871 V CB 0.871 32.801 31.823 0.180 0.000 0.954 871 V HN -0.169 nan 8.190 nan 0.000 0.444 872 V N 1.749 121.641 119.914 -0.036 0.000 2.740 872 V HA 0.119 4.239 4.120 -0.000 0.000 0.303 872 V C 0.702 176.744 176.094 -0.087 0.000 1.054 872 V CA 0.243 62.510 62.300 -0.056 0.000 1.106 872 V CB 1.038 32.826 31.823 -0.059 0.000 0.957 872 V HN 0.470 nan 8.190 nan 0.000 0.486 873 R N 4.066 124.487 120.500 -0.132 0.000 2.265 873 R HA 0.584 4.924 4.340 -0.000 0.000 0.319 873 R C -1.414 174.714 176.300 -0.286 0.000 1.006 873 R CA -0.682 55.282 56.100 -0.226 0.000 0.880 873 R CB 0.961 31.092 30.300 -0.282 0.000 1.077 873 R HN 0.503 nan 8.270 nan 0.000 0.454 874 L N 5.551 126.602 121.223 -0.286 0.000 2.457 874 L HA 0.341 4.681 4.340 -0.000 0.000 0.266 874 L C -1.662 175.094 176.870 -0.191 0.000 0.979 874 L CA -0.606 54.100 54.840 -0.223 0.000 0.857 874 L CB 0.997 42.996 42.059 -0.100 0.000 1.213 874 L HN 0.505 nan 8.230 nan 0.000 0.418 875 Y N 2.174 122.464 120.300 -0.016 0.000 2.578 875 Y HA 0.033 4.583 4.550 -0.000 0.000 0.339 875 Y C 1.731 177.626 175.900 -0.008 0.000 1.231 875 Y CA 0.711 58.805 58.100 -0.011 0.000 1.461 875 Y CB 0.597 39.051 38.460 -0.009 0.000 1.323 875 Y HN 0.764 nan 8.280 nan 0.000 0.590 876 E N 1.216 121.521 120.200 0.175 0.000 2.097 876 E HA -0.336 4.013 4.350 -0.000 0.000 0.196 876 E C 1.304 177.951 176.600 0.078 0.000 1.000 876 E CA 1.988 58.444 56.400 0.092 0.000 0.804 876 E CB 0.156 29.899 29.700 0.071 0.000 0.740 876 E HN 0.857 nan 8.360 nan 0.000 0.454 877 Q N 0.435 120.287 119.800 0.086 0.000 2.170 877 Q HA -0.136 4.204 4.340 -0.000 0.000 0.203 877 Q C 1.609 177.643 176.000 0.058 0.000 0.976 877 Q CA 1.652 57.489 55.803 0.056 0.000 0.858 877 Q CB 0.145 28.903 28.738 0.033 0.000 0.907 877 Q HN 0.361 nan 8.270 nan 0.000 0.433 878 D N -0.302 120.149 120.400 0.084 0.000 2.213 878 D HA 0.025 4.665 4.640 -0.000 0.000 0.205 878 D C 1.630 177.950 176.300 0.032 0.000 0.961 878 D CA 0.982 55.016 54.000 0.056 0.000 0.853 878 D CB -0.016 40.828 40.800 0.074 0.000 0.967 878 D HN 0.258 nan 8.370 nan 0.000 0.496 879 A N 1.068 123.910 122.820 0.038 0.000 1.972 879 A HA -0.090 4.229 4.320 -0.000 0.000 0.219 879 A C 2.266 179.867 177.584 0.029 0.000 1.169 879 A CA 0.726 52.778 52.037 0.026 0.000 0.635 879 A CB -0.704 18.311 19.000 0.026 0.000 0.810 879 A HN 0.184 nan 8.150 nan 0.000 0.446 880 L N -1.398 119.845 121.223 0.033 0.000 2.376 880 L HA -0.046 4.294 4.340 -0.000 0.000 0.219 880 L C 1.971 178.860 176.870 0.032 0.000 1.133 880 L CA 0.715 55.576 54.840 0.034 0.000 0.816 880 L CB -0.181 41.898 42.059 0.034 0.000 0.933 880 L HN 0.309 nan 8.230 nan 0.000 0.449 881 R N -0.903 119.610 120.500 0.021 0.000 2.466 881 R HA 0.218 4.557 4.340 -0.000 0.000 0.279 881 R C -0.251 176.041 176.300 -0.014 0.000 0.976 881 R CA -0.229 55.874 56.100 0.007 0.000 1.081 881 R CB 0.381 30.680 30.300 -0.000 0.000 1.215 881 R HN 0.107 nan 8.270 nan 0.000 0.546 882 M N 0.466 120.069 119.600 0.005 0.000 2.264 882 M HA 0.331 4.811 4.480 -0.000 0.000 0.352 882 M C 0.669 176.988 176.300 0.031 0.000 1.173 882 M CA -0.662 54.640 55.300 0.003 0.000 1.075 882 M CB 1.455 34.066 32.600 0.020 0.000 1.621 882 M HN 0.093 nan 8.290 nan 0.000 0.457 883 G N 2.595 111.407 108.800 0.019 0.000 2.491 883 G HA2 0.676 4.635 3.960 -0.000 0.000 0.327 883 G HA3 0.676 4.635 3.960 -0.000 0.000 0.327 883 G C -0.460 174.560 174.900 0.199 0.000 1.189 883 G CA -0.510 44.678 45.100 0.147 0.000 0.956 883 G HN 0.493 nan 8.290 nan 0.000 0.491 884 K N -0.314 120.249 120.400 0.272 0.000 2.281 884 K HA 0.233 4.552 4.320 -0.000 0.000 0.242 884 K C 1.229 177.924 176.600 0.158 0.000 0.971 884 K CA -0.880 55.507 56.287 0.167 0.000 0.834 884 K CB 2.332 34.894 32.500 0.103 0.000 1.181 884 K HN 0.710 nan 8.250 nan 0.000 0.435 885 K N 0.211 120.663 120.400 0.087 0.000 2.218 885 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 885 K C 0.627 177.201 176.600 -0.044 0.000 1.046 885 K CA 1.679 57.983 56.287 0.028 0.000 0.933 885 K CB 0.094 32.603 32.500 0.016 0.000 0.728 885 K HN 0.344 nan 8.250 nan 0.000 0.454 886 E N 0.916 121.093 120.200 -0.039 0.000 2.153 886 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 886 E C 1.795 178.293 176.600 -0.171 0.000 0.988 886 E CA 1.412 57.762 56.400 -0.083 0.000 0.811 886 E CB 0.053 29.722 29.700 -0.052 0.000 0.746 886 E HN 0.431 nan 8.360 nan 0.000 0.466 887 Q N -1.510 118.147 119.800 -0.239 0.000 2.396 887 Q HA 0.212 4.552 4.340 -0.000 0.000 0.220 887 Q C -0.431 175.008 176.000 -0.936 0.000 0.900 887 Q CA 0.431 55.887 55.803 -0.579 0.000 0.925 887 Q CB 0.599 28.918 28.738 -0.699 0.000 1.065 887 Q HN 0.140 nan 8.270 nan 0.000 0.535 888 F N 1.074 120.979 119.950 -0.074 0.000 2.691 888 F HA 0.334 4.861 4.527 -0.000 0.000 0.371 888 F C -1.877 173.814 175.800 -0.181 0.000 1.159 888 F CA -2.191 55.752 58.000 -0.094 0.000 1.174 888 F CB 1.762 40.767 39.000 0.007 0.000 1.419 888 F HN -0.057 nan 8.300 nan 0.000 0.514 889 P HA -0.069 nan 4.420 nan 0.000 0.231 889 P C -0.351 176.734 177.300 -0.359 0.000 1.168 889 P CA 0.976 63.822 63.100 -0.424 0.000 0.779 889 P CB 0.219 31.557 31.700 -0.603 0.000 0.844 890 Y N -0.674 119.677 120.300 0.085 0.000 2.419 890 Y HA 0.328 4.878 4.550 -0.000 0.000 0.328 890 Y C 0.927 176.836 175.900 0.015 0.000 1.162 890 Y CA -1.798 56.332 58.100 0.050 0.000 1.174 890 Y CB 0.369 38.856 38.460 0.045 0.000 1.228 890 Y HN -0.401 nan 8.280 nan 0.000 0.473 891 V N 2.417 122.422 119.914 0.151 0.000 2.508 891 V HA 0.442 4.561 4.120 -0.000 0.000 0.281 891 V C 0.636 176.656 176.094 -0.123 0.000 1.041 891 V CA -0.241 62.062 62.300 0.004 0.000 1.016 891 V CB 0.501 32.343 31.823 0.031 0.000 0.984 891 V HN 0.942 nan 8.190 nan 0.000 0.478 892 G N 2.730 111.245 108.800 -0.476 0.000 2.388 892 G HA2 0.618 4.578 3.960 -0.000 0.000 0.330 892 G HA3 0.618 4.578 3.960 -0.000 0.000 0.330 892 G C -0.602 173.726 174.900 -0.952 0.000 1.142 892 G CA -0.343 44.264 45.100 -0.822 0.000 0.908 892 G HN 0.706 nan 8.290 nan 0.000 0.473 893 T N -0.505 113.852 114.554 -0.328 0.000 2.923 893 T HA 0.715 5.065 4.350 -0.000 0.000 0.311 893 T C -0.365 174.468 174.700 0.221 0.000 1.183 893 T CA -0.324 61.805 62.100 0.048 0.000 1.020 893 T CB 1.682 70.643 68.868 0.156 0.000 1.165 893 T HN 0.948 nan 8.240 nan 0.000 0.482 894 T N 1.734 116.446 114.554 0.264 0.000 2.887 894 T HA 0.874 5.224 4.350 -0.000 0.000 0.288 894 T C -1.033 173.683 174.700 0.028 0.000 1.021 894 T CA -0.635 61.465 62.100 0.000 0.000 1.000 894 T CB 1.374 70.251 68.868 0.015 0.000 1.034 894 T HN 0.818 nan 8.240 nan 0.000 0.467 895 Y N -1.001 119.275 120.300 -0.042 0.000 2.914 895 Y HA 0.779 5.329 4.550 -0.000 0.000 0.327 895 Y C -0.792 175.034 175.900 -0.123 0.000 1.440 895 Y CA -1.818 56.244 58.100 -0.063 0.000 1.086 895 Y CB 0.643 39.099 38.460 -0.007 0.000 1.544 895 Y HN 0.695 nan 8.280 nan 0.000 0.442 896 R N 0.652 121.258 120.500 0.176 0.000 2.691 896 R HA 0.816 5.156 4.340 -0.000 0.000 0.259 896 R C -1.389 175.100 176.300 0.314 0.000 1.048 896 R CA -0.869 55.334 56.100 0.173 0.000 1.086 896 R CB 1.448 31.798 30.300 0.084 0.000 1.166 896 R HN 0.608 nan 8.270 nan 0.000 0.526 897 L N 0.053 121.499 121.223 0.371 0.000 2.354 897 L HA 0.334 4.674 4.340 -0.000 0.000 0.269 897 L C 0.910 177.735 176.870 -0.075 0.000 1.005 897 L CA -0.622 54.306 54.840 0.147 0.000 0.819 897 L CB 2.370 44.526 42.059 0.161 0.000 1.311 897 L HN 0.750 nan 8.230 nan 0.000 0.423 898 T N -0.567 113.931 114.554 -0.092 0.000 2.737 898 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 898 T C 1.331 175.865 174.700 -0.277 0.000 1.040 898 T CA 1.715 63.710 62.100 -0.174 0.000 1.142 898 T CB -0.081 68.703 68.868 -0.140 0.000 0.861 898 T HN 0.567 nan 8.240 nan 0.000 0.456 899 E N 0.075 120.090 120.200 -0.309 0.000 2.268 899 E HA -0.011 4.339 4.350 -0.000 0.000 0.195 899 E C 0.632 176.802 176.600 -0.715 0.000 0.995 899 E CA 0.778 56.902 56.400 -0.460 0.000 0.836 899 E CB 0.036 29.483 29.700 -0.422 0.000 0.763 899 E HN 0.556 nan 8.360 nan 0.000 0.491 900 H N -1.553 117.104 119.070 -0.688 0.000 2.797 900 H HA 0.324 4.880 4.556 -0.000 0.000 0.372 900 H C -1.355 173.467 175.328 -0.844 0.000 1.168 900 H CA -1.066 54.453 56.048 -0.882 0.000 1.163 900 H CB 1.244 30.255 29.762 -1.251 0.000 1.778 900 H HN -0.044 nan 8.280 nan 0.000 0.551 901 F N 2.267 121.818 119.950 -0.664 0.000 2.403 901 F HA 0.214 4.741 4.527 -0.000 0.000 0.355 901 F C 0.728 176.350 175.800 -0.297 0.000 1.119 901 F CA 0.087 57.682 58.000 -0.676 0.000 1.007 901 F CB -0.016 38.342 39.000 -1.070 0.000 1.194 901 F HN 0.800 nan 8.300 nan 0.000 0.443 902 H N 0.693 119.569 119.070 -0.324 0.000 1.452 902 H HA -0.309 4.247 4.556 -0.000 0.000 0.090 902 H C 0.921 176.207 175.328 -0.071 0.000 1.010 902 H CA 1.611 57.527 56.048 -0.220 0.000 1.901 902 H CB -0.848 28.752 29.762 -0.270 0.000 2.257 902 H HN 0.562 nan 8.280 nan 0.000 0.961 903 T N -2.497 112.122 114.554 0.110 0.000 3.214 903 T HA 0.029 4.379 4.350 -0.000 0.000 0.264 903 T C 0.848 175.629 174.700 0.136 0.000 1.012 903 T CA 0.175 62.261 62.100 -0.023 0.000 0.901 903 T CB 0.080 68.897 68.868 -0.084 0.000 1.070 903 T HN 0.502 nan 8.240 nan 0.000 0.561 904 W N 3.098 124.419 121.300 0.035 0.000 2.539 904 W HA 0.034 4.694 4.660 -0.000 0.000 0.299 904 W C 1.930 178.507 176.519 0.096 0.000 1.165 904 W CA 1.607 59.034 57.345 0.137 0.000 1.400 904 W CB -0.661 28.921 29.460 0.203 0.000 1.123 904 W HN 0.383 nan 8.180 nan 0.000 0.533 905 T N 0.141 114.780 114.554 0.141 0.000 3.051 905 T HA -0.185 4.164 4.350 -0.000 0.000 0.269 905 T C 1.542 176.298 174.700 0.093 0.000 1.127 905 T CA 1.465 63.584 62.100 0.031 0.000 1.107 905 T CB -0.547 68.212 68.868 -0.182 0.000 0.898 905 T HN 0.368 nan 8.240 nan 0.000 0.517 906 K N 0.318 120.652 120.400 -0.110 0.000 2.515 906 K HA -0.059 4.261 4.320 -0.000 0.000 0.196 906 K C 1.557 178.088 176.600 -0.114 0.000 1.038 906 K CA 0.886 57.043 56.287 -0.217 0.000 0.967 906 K CB -0.370 31.849 32.500 -0.469 0.000 0.780 906 K HN 0.428 nan 8.250 nan 0.000 0.483 907 H N 0.459 119.594 119.070 0.109 0.000 2.548 907 H HA 0.248 4.804 4.556 -0.000 0.000 0.265 907 H C 0.046 175.484 175.328 0.183 0.000 0.969 907 H CA 0.375 56.513 56.048 0.149 0.000 1.155 907 H CB 0.504 30.385 29.762 0.198 0.000 1.394 907 H HN 0.308 nan 8.280 nan 0.000 0.570 908 A N 1.223 124.207 122.820 0.274 0.000 2.271 908 A HA 0.230 4.550 4.320 -0.000 0.000 0.317 908 A C 1.107 178.783 177.584 0.152 0.000 1.245 908 A CA -0.447 51.728 52.037 0.231 0.000 0.857 908 A CB 1.063 20.206 19.000 0.240 0.000 1.175 908 A HN 0.185 nan 8.150 nan 0.000 0.512 909 L N 3.417 124.721 121.223 0.134 0.000 2.013 909 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 909 L C 2.082 178.997 176.870 0.075 0.000 1.073 909 L CA 2.000 56.901 54.840 0.102 0.000 0.753 909 L CB -0.734 41.380 42.059 0.092 0.000 0.890 909 L HN 0.826 nan 8.230 nan 0.000 0.432 910 L N -0.577 120.683 121.223 0.062 0.000 2.043 910 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 910 L C 2.132 178.989 176.870 -0.021 0.000 1.075 910 L CA 2.017 56.871 54.840 0.024 0.000 0.752 910 L CB -0.693 41.379 42.059 0.021 0.000 0.891 910 L HN 0.419 nan 8.230 nan 0.000 0.432 911 N N -0.391 118.286 118.700 -0.039 0.000 2.270 911 N HA -0.076 4.664 4.740 -0.000 0.000 0.181 911 N C 1.843 177.294 175.510 -0.098 0.000 1.016 911 N CA 1.020 53.965 53.050 -0.176 0.000 0.870 911 N CB -0.217 38.134 38.487 -0.226 0.000 0.979 911 N HN 0.293 nan 8.380 nan 0.000 0.431 912 A N 0.805 123.689 122.820 0.107 0.000 1.933 912 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 912 A C 2.072 179.740 177.584 0.140 0.000 1.175 912 A CA 0.947 53.103 52.037 0.198 0.000 0.628 912 A CB -0.636 18.459 19.000 0.158 0.000 0.814 912 A HN 0.216 nan 8.150 nan 0.000 0.444 913 I N -0.332 120.282 120.570 0.073 0.000 2.315 913 I HA -0.244 3.925 4.170 -0.000 0.000 0.248 913 I C 2.918 179.060 176.117 0.042 0.000 1.117 913 I CA 0.949 62.284 61.300 0.059 0.000 1.404 913 I CB -0.273 37.749 38.000 0.036 0.000 1.071 913 I HN 0.346 nan 8.210 nan 0.000 0.419 914 A N -0.559 122.251 122.820 -0.016 0.000 1.902 914 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 914 A C 1.248 178.840 177.584 0.013 0.000 1.181 914 A CA 1.389 53.398 52.037 -0.048 0.000 0.623 914 A CB 0.008 18.916 19.000 -0.154 0.000 0.818 914 A HN 0.385 nan 8.150 nan 0.000 0.443 915 Q N -1.456 118.382 119.800 0.064 0.000 3.147 915 Q HA 0.206 4.546 4.340 -0.000 0.000 0.224 915 Q C -2.392 173.938 176.000 0.549 0.000 0.901 915 Q CA -1.426 54.569 55.803 0.318 0.000 0.729 915 Q CB 1.887 30.826 28.738 0.334 0.000 1.363 915 Q HN 0.393 nan 8.270 nan 0.000 0.467 916 P HA -0.079 nan 4.420 nan 0.000 0.222 916 P C 0.008 177.533 177.300 0.374 0.000 1.153 916 P CA 0.849 64.167 63.100 0.363 0.000 0.798 916 P CB 1.222 33.041 31.700 0.198 0.000 0.796 917 E N -0.411 119.920 120.200 0.219 0.000 2.314 917 E HA 0.204 4.554 4.350 -0.000 0.000 0.272 917 E C -0.803 175.230 176.600 -0.945 0.000 0.884 917 E CA -0.863 55.394 56.400 -0.239 0.000 0.753 917 E CB 1.711 31.354 29.700 -0.094 0.000 1.213 917 E HN -0.171 nan 8.360 nan 0.000 0.432 918 Q N 3.455 122.270 119.800 -1.641 0.000 2.330 918 Q HA 0.211 4.551 4.340 -0.000 0.000 0.279 918 Q C -1.173 174.413 176.000 -0.690 0.000 1.024 918 Q CA 0.173 54.878 55.803 -1.829 0.000 0.900 918 Q CB 0.259 28.428 28.738 -0.948 0.000 1.221 918 Q HN 0.398 nan 8.270 nan 0.000 0.396 919 F N 1.481 121.089 119.950 -0.569 0.000 2.664 919 F HA 0.759 5.286 4.527 -0.000 0.000 0.317 919 F C -1.481 174.274 175.800 -0.074 0.000 1.108 919 F CA -1.221 56.650 58.000 -0.215 0.000 0.957 919 F CB 0.645 39.566 39.000 -0.131 0.000 1.365 919 F HN 0.257 nan 8.300 nan 0.000 0.475 920 V N -1.710 118.395 119.914 0.319 0.000 3.040 920 V HA 0.720 4.840 4.120 -0.000 0.000 0.312 920 V C -1.159 175.130 176.094 0.325 0.000 1.115 920 V CA -0.966 61.477 62.300 0.238 0.000 0.998 920 V CB 1.790 33.679 31.823 0.110 0.000 1.042 920 V HN 0.918 nan 8.190 nan 0.000 0.433 921 E N 2.924 123.302 120.200 0.297 0.000 2.171 921 E HA 0.779 5.128 4.350 -0.000 0.000 0.271 921 E C -0.803 175.870 176.600 0.122 0.000 0.916 921 E CA -0.601 55.934 56.400 0.225 0.000 0.774 921 E CB 2.467 32.339 29.700 0.287 0.000 1.128 921 E HN 0.847 nan 8.360 nan 0.000 0.403 922 I N -1.506 119.098 120.570 0.056 0.000 3.095 922 I HA 0.527 4.697 4.170 -0.000 0.000 0.310 922 I C -0.034 176.075 176.117 -0.014 0.000 1.196 922 I CA -1.073 60.228 61.300 0.002 0.000 0.985 922 I CB 2.070 40.046 38.000 -0.040 0.000 1.250 922 I HN 0.469 nan 8.210 nan 0.000 0.446 923 S N 1.556 117.236 115.700 -0.033 0.000 2.624 923 S HA 0.270 4.740 4.470 -0.000 0.000 0.263 923 S C 0.603 175.179 174.600 -0.039 0.000 1.287 923 S CA -0.275 57.907 58.200 -0.030 0.000 0.990 923 S CB 1.209 64.394 63.200 -0.025 0.000 0.950 923 S HN 0.810 nan 8.310 nan 0.000 0.561 924 E N 0.471 120.651 120.200 -0.034 0.000 2.152 924 E HA -0.083 4.266 4.350 -0.000 0.000 0.192 924 E C 1.841 178.421 176.600 -0.033 0.000 0.983 924 E CA 1.414 57.793 56.400 -0.035 0.000 0.818 924 E CB -0.447 29.233 29.700 -0.033 0.000 0.758 924 E HN 0.768 nan 8.360 nan 0.000 0.467 925 T N 1.776 116.312 114.554 -0.030 0.000 2.708 925 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 925 T C 1.828 176.504 174.700 -0.040 0.000 1.037 925 T CA 0.826 62.911 62.100 -0.025 0.000 1.146 925 T CB -0.199 68.661 68.868 -0.014 0.000 0.865 925 T HN 0.037 nan 8.240 nan 0.000 0.435 926 L N 1.428 122.609 121.223 -0.071 0.000 2.056 926 L HA 0.189 4.529 4.340 -0.000 0.000 0.207 926 L C 2.582 179.396 176.870 -0.093 0.000 1.078 926 L CA 1.704 56.470 54.840 -0.123 0.000 0.749 926 L CB -1.149 40.768 42.059 -0.236 0.000 0.901 926 L HN 0.215 nan 8.230 nan 0.000 0.433 927 A N -0.399 122.378 122.820 -0.071 0.000 1.902 927 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 927 A C 2.455 180.018 177.584 -0.034 0.000 1.181 927 A CA 1.871 53.879 52.037 -0.049 0.000 0.623 927 A CB -1.155 17.821 19.000 -0.041 0.000 0.818 927 A HN 0.561 nan 8.150 nan 0.000 0.443 928 A N -0.222 122.581 122.820 -0.029 0.000 1.902 928 A HA 0.181 4.501 4.320 -0.000 0.000 0.217 928 A C 2.483 180.059 177.584 -0.012 0.000 1.181 928 A CA 2.001 54.027 52.037 -0.019 0.000 0.623 928 A CB -0.962 18.028 19.000 -0.017 0.000 0.818 928 A HN 1.074 nan 8.150 nan 0.000 0.443 929 A N -0.709 122.103 122.820 -0.013 0.000 1.972 929 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 929 A C 1.905 179.492 177.584 0.006 0.000 1.169 929 A CA 1.639 53.677 52.037 0.001 0.000 0.635 929 A CB -0.185 18.822 19.000 0.010 0.000 0.810 929 A HN 0.313 nan 8.150 nan 0.000 0.446 930 K N -1.427 118.970 120.400 -0.005 0.000 2.367 930 K HA 0.185 4.505 4.320 -0.000 0.000 0.194 930 K C 1.013 177.613 176.600 -0.001 0.000 1.027 930 K CA 0.684 56.973 56.287 0.003 0.000 1.075 930 K CB -0.082 32.416 32.500 -0.003 0.000 0.845 930 K HN 0.770 nan 8.250 nan 0.000 0.529 931 G N 2.240 111.037 108.800 -0.006 0.000 2.198 931 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 931 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 931 G C -0.032 174.863 174.900 -0.008 0.000 1.042 931 G CA -0.058 45.038 45.100 -0.006 0.000 0.791 931 G HN 0.281 nan 8.290 nan 0.000 0.502 932 I N 1.079 121.642 120.570 -0.013 0.000 2.315 932 I HA 0.267 4.437 4.170 -0.000 0.000 0.291 932 I C 0.131 176.237 176.117 -0.018 0.000 1.006 932 I CA -0.914 60.378 61.300 -0.014 0.000 1.265 932 I CB 0.854 38.843 38.000 -0.017 0.000 1.387 932 I HN 0.031 nan 8.210 nan 0.000 0.475 933 N N 4.451 123.141 118.700 -0.016 0.000 2.508 933 N HA 0.154 4.894 4.740 -0.000 0.000 0.285 933 N C -0.282 175.214 175.510 -0.024 0.000 1.144 933 N CA -0.619 52.419 53.050 -0.020 0.000 0.978 933 N CB 0.796 39.272 38.487 -0.017 0.000 1.180 933 N HN 0.471 nan 8.380 nan 0.000 0.484 934 N N 0.024 118.705 118.700 -0.031 0.000 2.412 934 N HA 0.084 4.824 4.740 -0.000 0.000 0.258 934 N C 1.154 176.641 175.510 -0.039 0.000 1.236 934 N CA 1.651 54.677 53.050 -0.041 0.000 0.882 934 N CB 0.064 38.522 38.487 -0.049 0.000 1.066 934 N HN 0.745 nan 8.380 nan 0.000 0.465 935 G N 2.055 110.829 108.800 -0.043 0.000 2.195 935 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.246 935 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.246 935 G C -0.145 174.743 174.900 -0.020 0.000 0.984 935 G CA 0.187 45.265 45.100 -0.037 0.000 0.633 935 G HN 0.657 nan 8.290 nan 0.000 0.525 936 D N 0.168 120.559 120.400 -0.015 0.000 2.357 936 D HA 0.460 5.100 4.640 -0.000 0.000 0.242 936 D C 0.921 177.221 176.300 0.001 0.000 1.153 936 D CA -0.142 53.854 54.000 -0.006 0.000 0.918 936 D CB 0.590 41.386 40.800 -0.006 0.000 1.181 936 D HN 0.394 nan 8.370 nan 0.000 0.435 937 R N 0.380 120.884 120.500 0.007 0.000 2.390 937 R HA 0.451 4.791 4.340 -0.000 0.000 0.291 937 R C -0.570 175.739 176.300 0.015 0.000 1.070 937 R CA -0.469 55.640 56.100 0.015 0.000 1.014 937 R CB 0.546 30.860 30.300 0.022 0.000 1.007 937 R HN 0.296 nan 8.270 nan 0.000 0.466 938 V N -0.531 119.394 119.914 0.017 0.000 3.130 938 V HA 0.659 4.779 4.120 -0.000 0.000 0.310 938 V C -0.778 175.328 176.094 0.019 0.000 1.158 938 V CA -0.804 61.507 62.300 0.019 0.000 1.029 938 V CB 2.353 34.189 31.823 0.022 0.000 1.057 938 V HN 0.703 nan 8.190 nan 0.000 0.436 939 T N 1.747 116.318 114.554 0.030 0.000 2.815 939 T HA 0.641 4.991 4.350 -0.000 0.000 0.289 939 T C -0.579 174.170 174.700 0.083 0.000 1.000 939 T CA -0.281 61.845 62.100 0.044 0.000 0.958 939 T CB 1.277 70.157 68.868 0.020 0.000 0.944 939 T HN 0.719 nan 8.240 nan 0.000 0.442 940 V N 4.169 124.139 119.914 0.095 0.000 2.427 940 V HA 0.741 4.861 4.120 -0.000 0.000 0.286 940 V C 0.204 176.413 176.094 0.192 0.000 1.034 940 V CA -0.583 61.800 62.300 0.140 0.000 0.893 940 V CB 1.512 33.402 31.823 0.113 0.000 0.982 940 V HN 1.053 nan 8.190 nan 0.000 0.452 941 S N 3.085 118.935 115.700 0.251 0.000 2.627 941 S HA 0.939 5.409 4.470 -0.000 0.000 0.283 941 S C -0.464 174.294 174.600 0.263 0.000 1.127 941 S CA -0.315 58.057 58.200 0.287 0.000 0.863 941 S CB 2.273 65.675 63.200 0.336 0.000 1.121 941 S HN 1.049 nan 8.310 nan 0.000 0.479 942 S N 0.247 115.975 115.700 0.046 0.000 2.806 942 S HA 0.581 5.051 4.470 -0.000 0.000 0.306 942 S C 0.433 174.602 174.600 -0.719 0.000 1.167 942 S CA -0.709 57.207 58.200 -0.474 0.000 0.847 942 S CB 1.231 64.319 63.200 -0.186 0.000 1.216 942 S HN 0.728 nan 8.310 nan 0.000 0.532 943 K N 0.405 120.192 120.400 -1.022 0.000 2.280 943 K HA 0.119 4.439 4.320 -0.000 0.000 0.202 943 K C 1.805 178.328 176.600 -0.128 0.000 1.047 943 K CA 1.378 57.395 56.287 -0.451 0.000 0.942 943 K CB -0.223 32.097 32.500 -0.299 0.000 0.739 943 K HN 0.626 nan 8.250 nan 0.000 0.457 944 R N -1.495 118.925 120.500 -0.133 0.000 2.265 944 R HA 0.287 4.627 4.340 -0.000 0.000 0.194 944 R C 0.582 176.891 176.300 0.016 0.000 0.931 944 R CA 0.428 56.501 56.100 -0.044 0.000 1.032 944 R CB 0.914 31.169 30.300 -0.074 0.000 0.980 944 R HN 0.261 nan 8.270 nan 0.000 0.497 945 G N 0.049 108.876 108.800 0.046 0.000 2.325 945 G HA2 0.312 4.271 3.960 -0.000 0.000 0.295 945 G HA3 0.312 4.271 3.960 -0.000 0.000 0.295 945 G C -1.784 173.239 174.900 0.206 0.000 1.274 945 G CA -0.783 44.392 45.100 0.125 0.000 0.857 945 G HN 0.105 nan 8.290 nan 0.000 0.499 946 F N -0.755 119.210 119.950 0.024 0.000 2.662 946 F HA 0.890 5.417 4.527 -0.000 0.000 0.312 946 F C -0.733 174.995 175.800 -0.120 0.000 1.113 946 F CA -1.452 56.537 58.000 -0.018 0.000 0.951 946 F CB 1.446 40.438 39.000 -0.013 0.000 1.344 946 F HN 0.859 nan 8.300 nan 0.000 0.462 947 I N -0.617 119.835 120.570 -0.196 0.000 3.095 947 I HA 0.759 4.929 4.170 -0.000 0.000 0.310 947 I C -1.524 174.313 176.117 -0.467 0.000 1.196 947 I CA -1.292 59.606 61.300 -0.671 0.000 0.985 947 I CB 2.874 40.677 38.000 -0.328 0.000 1.250 947 I HN 0.778 nan 8.210 nan 0.000 0.446 948 R N 2.703 122.704 120.500 -0.831 0.000 2.686 948 R HA 0.934 5.274 4.340 -0.000 0.000 0.286 948 R C -1.031 175.205 176.300 -0.106 0.000 0.969 948 R CA -0.876 55.069 56.100 -0.258 0.000 0.898 948 R CB 2.250 32.501 30.300 -0.082 0.000 1.183 948 R HN 0.986 nan 8.270 nan 0.000 0.456 949 A N 1.458 124.263 122.820 -0.026 0.000 2.564 949 A HA 0.496 4.816 4.320 -0.000 0.000 0.291 949 A C -1.281 176.309 177.584 0.009 0.000 1.102 949 A CA -0.655 51.376 52.037 -0.011 0.000 0.660 949 A CB 1.157 20.132 19.000 -0.042 0.000 1.283 949 A HN 0.326 nan 8.150 nan 0.000 0.430 950 V N 0.836 120.756 119.914 0.010 0.000 2.649 950 V HA 0.518 4.638 4.120 -0.000 0.000 0.292 950 V C 0.878 177.007 176.094 0.059 0.000 1.055 950 V CA 0.339 62.654 62.300 0.025 0.000 1.023 950 V CB 1.175 33.007 31.823 0.016 0.000 0.992 950 V HN 1.420 nan 8.190 nan 0.000 0.480 951 A N 4.740 127.575 122.820 0.026 0.000 2.289 951 A HA 0.655 4.974 4.320 -0.000 0.000 0.298 951 A C -0.496 177.077 177.584 -0.018 0.000 1.208 951 A CA -0.392 51.661 52.037 0.027 0.000 0.845 951 A CB 0.876 19.881 19.000 0.009 0.000 1.125 951 A HN 0.648 nan 8.150 nan 0.000 0.517 952 V N 4.686 124.590 119.914 -0.017 0.000 2.294 952 V HA 0.200 4.319 4.120 -0.000 0.000 0.272 952 V C -0.157 175.909 176.094 -0.047 0.000 1.027 952 V CA -0.332 61.900 62.300 -0.112 0.000 0.823 952 V CB 1.079 32.736 31.823 -0.276 0.000 1.030 952 V HN 0.630 nan 8.190 nan 0.000 0.457 953 V N 4.840 124.721 119.914 -0.055 0.000 2.432 953 V HA 0.605 4.725 4.120 -0.000 0.000 0.271 953 V C 0.362 176.425 176.094 -0.051 0.000 1.046 953 V CA 0.203 62.478 62.300 -0.042 0.000 0.945 953 V CB 1.392 33.190 31.823 -0.041 0.000 0.992 953 V HN 0.905 nan 8.190 nan 0.000 0.471 954 T N 4.090 118.619 114.554 -0.041 0.000 2.889 954 T HA 0.363 4.713 4.350 -0.000 0.000 0.315 954 T C 0.571 175.240 174.700 -0.051 0.000 1.291 954 T CA -0.689 61.380 62.100 -0.052 0.000 1.028 954 T CB 1.629 70.466 68.868 -0.052 0.000 1.235 954 T HN 0.593 nan 8.240 nan 0.000 0.491 955 R N 0.960 121.414 120.500 -0.077 0.000 2.316 955 R HA 0.152 4.492 4.340 -0.000 0.000 0.202 955 R C 2.139 178.383 176.300 -0.093 0.000 1.029 955 R CA 0.542 56.592 56.100 -0.083 0.000 1.018 955 R CB 0.021 30.253 30.300 -0.113 0.000 0.888 955 R HN 0.466 nan 8.270 nan 0.000 0.471 956 R N -0.071 120.374 120.500 -0.091 0.000 2.285 956 R HA -0.006 4.334 4.340 -0.000 0.000 0.213 956 R C -0.246 176.069 176.300 0.025 0.000 1.068 956 R CA 0.635 56.705 56.100 -0.051 0.000 1.004 956 R CB 0.094 30.392 30.300 -0.004 0.000 0.873 956 R HN -0.023 nan 8.270 nan 0.000 0.467 957 L N 0.612 121.845 121.223 0.018 0.000 2.356 957 L HA 0.350 4.690 4.340 -0.000 0.000 0.277 957 L C -0.715 176.175 176.870 0.032 0.000 0.996 957 L CA -0.105 54.759 54.840 0.041 0.000 0.822 957 L CB 1.995 44.075 42.059 0.035 0.000 1.256 957 L HN -0.206 nan 8.230 nan 0.000 0.413 958 K N 3.975 124.409 120.400 0.056 0.000 2.502 958 K HA 0.569 4.889 4.320 -0.000 0.000 0.257 958 K C -2.603 174.029 176.600 0.052 0.000 0.938 958 K CA -1.644 54.671 56.287 0.046 0.000 0.819 958 K CB 2.418 34.954 32.500 0.061 0.000 1.333 958 K HN 0.296 nan 8.250 nan 0.000 0.434 959 P HA 0.165 nan 4.420 nan 0.000 0.272 959 P C -0.874 176.457 177.300 0.051 0.000 1.230 959 P CA -0.210 62.917 63.100 0.045 0.000 0.788 959 P CB 0.848 32.570 31.700 0.037 0.000 0.949 960 L N 1.771 123.026 121.223 0.054 0.000 2.341 960 L HA 0.405 4.745 4.340 -0.000 0.000 0.267 960 L C 0.508 177.401 176.870 0.038 0.000 1.009 960 L CA -0.973 53.896 54.840 0.048 0.000 0.819 960 L CB 1.589 43.678 42.059 0.050 0.000 1.323 960 L HN 0.268 nan 8.230 nan 0.000 0.425 961 N N 1.804 120.520 118.700 0.028 0.000 2.420 961 N HA 0.331 5.071 4.740 -0.000 0.000 0.249 961 N C -1.082 174.433 175.510 0.010 0.000 1.033 961 N CA -0.086 52.975 53.050 0.019 0.000 0.944 961 N CB 1.881 40.376 38.487 0.012 0.000 1.113 961 N HN 0.152 nan 8.380 nan 0.000 0.502 962 V N 2.733 122.654 119.914 0.012 0.000 2.525 962 V HA 0.202 4.322 4.120 -0.000 0.000 0.299 962 V C 0.586 176.680 176.094 0.000 0.000 1.034 962 V CA -0.939 61.363 62.300 0.003 0.000 0.863 962 V CB 1.414 33.248 31.823 0.017 0.000 0.999 962 V HN 0.715 nan 8.190 nan 0.000 0.423 963 N N 3.665 122.355 118.700 -0.016 0.000 2.708 963 N HA -0.220 4.520 4.740 -0.000 0.000 0.251 963 N C 1.137 176.643 175.510 -0.007 0.000 1.017 963 N CA 1.915 54.955 53.050 -0.017 0.000 0.742 963 N CB -0.887 37.593 38.487 -0.011 0.000 0.943 963 N HN 1.664 nan 8.380 nan 0.000 0.539 964 G N -2.017 106.779 108.800 -0.006 0.000 2.179 964 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.260 964 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.260 964 G C -0.048 174.856 174.900 0.007 0.000 0.977 964 G CA 0.794 45.894 45.100 -0.001 0.000 0.641 964 G HN 0.687 nan 8.290 nan 0.000 0.533 965 Q N -0.796 119.012 119.800 0.013 0.000 2.378 965 Q HA 0.690 5.030 4.340 -0.000 0.000 0.276 965 Q C -0.646 175.373 176.000 0.031 0.000 1.083 965 Q CA -0.999 54.818 55.803 0.023 0.000 0.856 965 Q CB 1.074 29.829 28.738 0.027 0.000 1.383 965 Q HN 0.129 nan 8.270 nan 0.000 0.458 966 Q N 1.158 120.983 119.800 0.042 0.000 2.347 966 Q HA 0.398 4.738 4.340 -0.000 0.000 0.262 966 Q C -1.179 174.865 176.000 0.073 0.000 0.980 966 Q CA -0.336 55.498 55.803 0.051 0.000 0.867 966 Q CB 1.850 30.619 28.738 0.051 0.000 1.242 966 Q HN 0.358 nan 8.270 nan 0.000 0.453 967 V N 3.361 123.319 119.914 0.073 0.000 2.398 967 V HA 0.293 4.413 4.120 -0.000 0.000 0.286 967 V C 0.235 176.392 176.094 0.105 0.000 1.026 967 V CA -0.602 61.756 62.300 0.097 0.000 0.868 967 V CB 1.695 33.566 31.823 0.080 0.000 0.982 967 V HN 0.584 nan 8.190 nan 0.000 0.443 968 E N 2.272 122.564 120.200 0.153 0.000 2.202 968 E HA 0.557 4.907 4.350 -0.000 0.000 0.272 968 E C -0.668 175.997 176.600 0.108 0.000 0.951 968 E CA -0.411 56.048 56.400 0.099 0.000 0.813 968 E CB 2.319 32.031 29.700 0.021 0.000 1.151 968 E HN 0.596 nan 8.360 nan 0.000 0.398 969 T N 0.924 115.509 114.554 0.051 0.000 2.841 969 T HA 0.385 4.735 4.350 -0.000 0.000 0.283 969 T C -0.457 174.263 174.700 0.032 0.000 1.000 969 T CA -0.547 61.586 62.100 0.055 0.000 0.977 969 T CB 1.422 70.326 68.868 0.061 0.000 0.979 969 T HN 0.079 nan 8.240 nan 0.000 0.446 970 V N 2.647 122.586 119.914 0.042 0.000 2.384 970 V HA 0.675 4.794 4.120 -0.000 0.000 0.287 970 V C 0.689 176.846 176.094 0.104 0.000 1.020 970 V CA -0.729 61.602 62.300 0.052 0.000 0.850 970 V CB 1.571 33.428 31.823 0.055 0.000 0.987 970 V HN 1.035 nan 8.190 nan 0.000 0.436 971 G N 4.714 113.629 108.800 0.192 0.000 2.332 971 G HA2 0.677 4.637 3.960 -0.000 0.000 0.310 971 G HA3 0.677 4.637 3.960 -0.000 0.000 0.310 971 G C -0.894 174.109 174.900 0.172 0.000 1.123 971 G CA -0.352 44.975 45.100 0.378 0.000 0.873 971 G HN 0.611 nan 8.290 nan 0.000 0.460 972 I N 3.793 124.302 120.570 -0.101 0.000 2.466 972 I HA 0.266 4.436 4.170 -0.000 0.000 0.279 972 I C -2.315 173.450 176.117 -0.587 0.000 1.033 972 I CA -1.892 59.271 61.300 -0.228 0.000 1.123 972 I CB 2.572 40.547 38.000 -0.042 0.000 1.237 972 I HN 0.228 nan 8.210 nan 0.000 0.460 973 P HA 0.151 nan 4.420 nan 0.000 0.269 973 P C 0.780 177.833 177.300 -0.411 0.000 1.209 973 P CA -0.112 62.645 63.100 -0.572 0.000 0.776 973 P CB 0.602 32.148 31.700 -0.258 0.000 0.876 974 I N -1.152 119.033 120.570 -0.641 0.000 3.855 974 I HA 0.153 4.323 4.170 -0.000 0.000 0.327 974 I C 0.493 176.233 176.117 -0.629 0.000 1.359 974 I CA 0.133 61.100 61.300 -0.554 0.000 1.142 974 I CB -0.481 37.203 38.000 -0.526 0.000 1.041 974 I HN 0.313 nan 8.210 nan 0.000 0.403 975 H N 0.069 118.884 119.070 -0.424 0.000 2.548 975 H HA 0.199 4.755 4.556 -0.000 0.000 0.265 975 H C 0.179 174.994 175.328 -0.854 0.000 0.969 975 H CA 0.138 55.715 56.048 -0.784 0.000 1.155 975 H CB 0.031 29.035 29.762 -1.263 0.000 1.394 975 H HN 0.444 nan 8.280 nan 0.000 0.570 976 W N 0.598 121.800 121.300 -0.162 0.000 2.485 976 W HA 0.493 5.153 4.660 -0.000 0.000 0.364 976 W C 0.646 177.081 176.519 -0.141 0.000 1.171 976 W CA -0.326 56.926 57.345 -0.154 0.000 1.304 976 W CB 1.669 31.069 29.460 -0.101 0.000 1.335 976 W HN 0.141 nan 8.180 nan 0.000 0.643 977 G N -0.156 108.689 108.800 0.074 0.000 2.474 977 G HA2 0.284 4.244 3.960 -0.000 0.000 0.234 977 G HA3 0.284 4.244 3.960 -0.000 0.000 0.234 977 G C -1.336 173.544 174.900 -0.033 0.000 1.204 977 G CA -0.588 44.486 45.100 -0.044 0.000 0.939 977 G HN 0.434 nan 8.290 nan 0.000 0.491 978 F N -0.147 119.697 119.950 -0.175 0.000 2.654 978 F HA 0.669 5.196 4.527 -0.000 0.000 0.303 978 F C -0.042 175.595 175.800 -0.271 0.000 1.099 978 F CA -0.692 57.148 58.000 -0.266 0.000 1.270 978 F CB 0.740 39.472 39.000 -0.448 0.000 1.024 978 F HN 0.015 nan 8.300 nan 0.000 0.548 979 E N 1.113 121.162 120.200 -0.251 0.000 2.292 979 E HA 0.672 5.022 4.350 -0.000 0.000 0.272 979 E C -0.004 176.433 176.600 -0.271 0.000 0.881 979 E CA -0.337 55.990 56.400 -0.122 0.000 0.754 979 E CB 1.822 31.494 29.700 -0.047 0.000 1.201 979 E HN 0.395 nan 8.360 nan 0.000 0.425 980 G N -0.276 108.408 108.800 -0.193 0.000 2.359 980 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.303 980 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.303 980 G C -0.010 174.849 174.900 -0.067 0.000 1.293 980 G CA -0.238 44.637 45.100 -0.375 0.000 0.964 980 G HN 0.567 nan 8.290 nan 0.000 0.531 981 V N -2.487 117.412 119.914 -0.025 0.000 3.578 981 V HA 0.732 4.852 4.120 -0.000 0.000 0.290 981 V C 1.323 177.459 176.094 0.070 0.000 1.376 981 V CA 1.429 63.761 62.300 0.054 0.000 1.083 981 V CB -0.156 31.722 31.823 0.091 0.000 0.911 981 V HN 2.219 nan 8.190 nan 0.000 0.433 982 A N 1.134 123.992 122.820 0.062 0.000 2.259 982 A HA 0.599 4.919 4.320 -0.000 0.000 0.278 982 A C 0.543 178.219 177.584 0.153 0.000 1.107 982 A CA -0.723 51.405 52.037 0.150 0.000 0.828 982 A CB 0.229 19.344 19.000 0.192 0.000 1.111 982 A HN 0.554 nan 8.150 nan 0.000 0.498 983 R N 0.620 121.229 120.500 0.181 0.000 2.537 983 R HA 0.089 4.429 4.340 -0.000 0.000 0.280 983 R C 0.255 176.624 176.300 0.115 0.000 1.058 983 R CA -0.115 56.052 56.100 0.111 0.000 1.057 983 R CB 0.402 30.740 30.300 0.063 0.000 0.973 983 R HN 0.701 nan 8.270 nan 0.000 0.438 984 K N 1.414 121.856 120.400 0.069 0.000 2.524 984 K HA 0.023 4.342 4.320 -0.000 0.000 0.279 984 K C 0.045 176.654 176.600 0.015 0.000 0.993 984 K CA 0.461 56.776 56.287 0.047 0.000 1.030 984 K CB 0.502 33.018 32.500 0.026 0.000 0.891 984 K HN 0.776 nan 8.250 nan 0.000 0.488 985 G N 2.317 111.130 108.800 0.021 0.000 3.085 985 G HA2 0.407 4.367 3.960 -0.000 0.000 0.264 985 G HA3 0.407 4.367 3.960 -0.000 0.000 0.264 985 G C -1.818 173.027 174.900 -0.092 0.000 1.206 985 G CA -0.582 44.533 45.100 0.025 0.000 0.809 985 G HN 0.510 nan 8.290 nan 0.000 0.592 986 Y N -0.318 120.018 120.300 0.059 0.000 2.446 986 Y HA 0.513 5.063 4.550 -0.000 0.000 0.345 986 Y C 0.373 176.294 175.900 0.036 0.000 0.984 986 Y CA -1.167 56.953 58.100 0.034 0.000 1.058 986 Y CB 1.802 40.237 38.460 -0.042 0.000 1.220 986 Y HN 0.129 nan 8.280 nan 0.000 0.455 987 I N 2.740 123.418 120.570 0.179 0.000 2.587 987 I HA -0.026 4.144 4.170 -0.000 0.000 0.284 987 I C 1.366 177.517 176.117 0.056 0.000 1.134 987 I CA 0.360 61.708 61.300 0.081 0.000 1.410 987 I CB 0.459 38.502 38.000 0.071 0.000 1.392 987 I HN 0.971 nan 8.210 nan 0.000 0.545 988 A N 6.038 128.863 122.820 0.008 0.000 1.978 988 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 988 A C 1.762 179.330 177.584 -0.026 0.000 1.170 988 A CA 1.558 53.586 52.037 -0.016 0.000 0.636 988 A CB -0.798 18.155 19.000 -0.079 0.000 0.810 988 A HN 0.816 nan 8.150 nan 0.000 0.448 989 N N -0.731 117.948 118.700 -0.035 0.000 2.609 989 N HA -0.045 4.695 4.740 -0.000 0.000 0.190 989 N C 0.965 176.458 175.510 -0.030 0.000 1.157 989 N CA 0.825 53.860 53.050 -0.025 0.000 0.918 989 N CB -0.100 38.398 38.487 0.019 0.000 0.978 989 N HN 0.441 nan 8.380 nan 0.000 0.448 990 T N 0.263 114.804 114.554 -0.021 0.000 2.915 990 T HA -0.028 4.322 4.350 -0.000 0.000 0.269 990 T C 1.626 176.291 174.700 -0.059 0.000 1.071 990 T CA 0.773 62.855 62.100 -0.030 0.000 1.132 990 T CB 0.067 68.908 68.868 -0.046 0.000 0.878 990 T HN 0.259 nan 8.240 nan 0.000 0.479 991 L N 0.898 122.076 121.223 -0.075 0.000 2.354 991 L HA 0.129 4.468 4.340 -0.000 0.000 0.212 991 L C 1.548 178.194 176.870 -0.374 0.000 1.091 991 L CA 0.228 55.004 54.840 -0.107 0.000 0.828 991 L CB -0.737 41.360 42.059 0.064 0.000 0.973 991 L HN 0.268 nan 8.230 nan 0.000 0.461 992 T N -0.845 113.418 114.554 -0.486 0.000 2.918 992 T HA 0.220 4.570 4.350 -0.000 0.000 0.302 992 T C -2.371 172.070 174.700 -0.432 0.000 1.045 992 T CA -1.554 60.111 62.100 -0.725 0.000 1.114 992 T CB 0.760 69.389 68.868 -0.399 0.000 0.965 992 T HN -0.082 nan 8.240 nan 0.000 0.540 993 P HA 0.222 nan 4.420 nan 0.000 0.278 993 P C -0.634 176.539 177.300 -0.212 0.000 1.238 993 P CA -0.589 62.370 63.100 -0.234 0.000 0.794 993 P CB 0.551 32.158 31.700 -0.155 0.000 0.955 994 N N 2.137 120.751 118.700 -0.142 0.000 3.188 994 N HA 0.309 5.048 4.740 -0.000 0.000 0.279 994 N C -1.240 174.206 175.510 -0.108 0.000 1.213 994 N CA -0.248 52.726 53.050 -0.127 0.000 1.138 994 N CB -0.689 37.763 38.487 -0.057 0.000 1.417 994 N HN 0.167 nan 8.380 nan 0.000 0.526 995 V N 0.151 119.973 119.914 -0.155 0.000 3.077 995 V HA 0.906 5.026 4.120 -0.000 0.000 0.299 995 V C -0.266 175.733 176.094 -0.159 0.000 1.276 995 V CA -0.340 61.882 62.300 -0.131 0.000 0.993 995 V CB 1.670 33.439 31.823 -0.091 0.000 1.076 995 V HN 0.436 nan 8.190 nan 0.000 0.434 996 G N 2.523 111.245 108.800 -0.130 0.000 2.921 996 G HA2 0.488 4.448 3.960 -0.000 0.000 0.291 996 G HA3 0.488 4.448 3.960 -0.000 0.000 0.291 996 G C -1.226 173.642 174.900 -0.054 0.000 1.370 996 G CA -0.456 44.576 45.100 -0.114 0.000 0.847 996 G HN 0.905 nan 8.290 nan 0.000 0.532 997 D N -0.385 120.003 120.400 -0.021 0.000 2.525 997 D HA 0.315 4.955 4.640 -0.000 0.000 0.235 997 D C 1.566 177.868 176.300 0.003 0.000 1.137 997 D CA 0.820 54.831 54.000 0.018 0.000 0.868 997 D CB 1.143 41.969 40.800 0.043 0.000 1.180 997 D HN 0.513 nan 8.370 nan 0.000 0.465 998 A N 4.087 126.916 122.820 0.015 0.000 2.125 998 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 998 A C 1.736 179.330 177.584 0.017 0.000 1.156 998 A CA 1.104 53.148 52.037 0.011 0.000 0.671 998 A CB -0.249 18.772 19.000 0.035 0.000 0.794 998 A HN 0.695 nan 8.150 nan 0.000 0.459 999 N N -0.452 118.262 118.700 0.023 0.000 2.420 999 N HA -0.066 4.674 4.740 -0.000 0.000 0.185 999 N C 1.801 177.319 175.510 0.013 0.000 1.033 999 N CA 1.591 54.654 53.050 0.021 0.000 0.879 999 N CB -0.104 38.400 38.487 0.028 0.000 1.071 999 N HN 0.578 nan 8.380 nan 0.000 0.437 1000 S N -0.099 115.615 115.700 0.024 0.000 2.511 1000 S HA 0.108 4.578 4.470 -0.000 0.000 0.214 1000 S C 0.319 174.924 174.600 0.009 0.000 0.997 1000 S CA -0.076 58.140 58.200 0.027 0.000 0.908 1000 S CB 0.519 63.757 63.200 0.063 0.000 0.803 1000 S HN 0.054 nan 8.310 nan 0.000 0.504 1001 Q N 0.748 120.541 119.800 -0.011 0.000 2.503 1001 Q HA -0.120 4.219 4.340 -0.000 0.000 0.267 1001 Q C -0.698 175.267 176.000 -0.059 0.000 1.030 1001 Q CA 1.050 56.827 55.803 -0.042 0.000 1.041 1001 Q CB -3.046 25.666 28.738 -0.042 0.000 1.406 1001 Q HN 0.635 nan 8.270 nan 0.000 0.524 1002 T N 2.656 117.193 114.554 -0.029 0.000 2.814 1002 T HA 0.341 4.691 4.350 -0.000 0.000 0.297 1002 T C -2.150 172.469 174.700 -0.135 0.000 0.956 1002 T CA -0.842 61.238 62.100 -0.032 0.000 1.123 1002 T CB 0.966 69.862 68.868 0.048 0.000 0.902 1002 T HN 0.003 nan 8.240 nan 0.000 0.528 1003 P HA 0.046 nan 4.420 nan 0.000 0.266 1003 P C -0.031 176.967 177.300 -0.503 0.000 1.193 1003 P CA -0.112 62.630 63.100 -0.597 0.000 0.770 1003 P CB 0.414 31.360 31.700 -1.257 0.000 0.836 1004 E N 1.824 121.814 120.200 -0.351 0.000 2.515 1004 E HA -0.006 4.344 4.350 -0.000 0.000 0.315 1004 E C -0.034 176.506 176.600 -0.100 0.000 1.523 1004 E CA -0.003 56.295 56.400 -0.170 0.000 1.704 1004 E CB -0.657 29.014 29.700 -0.050 0.000 1.395 1004 E HN 0.403 nan 8.360 nan 0.000 0.490 1005 Y N 0.247 120.509 120.300 -0.063 0.000 2.497 1005 Y HA -0.074 4.476 4.550 -0.000 0.000 0.292 1005 Y C 1.736 177.726 175.900 0.150 0.000 1.137 1005 Y CA 0.571 58.664 58.100 -0.012 0.000 1.285 1005 Y CB 0.217 38.655 38.460 -0.036 0.000 0.991 1005 Y HN 0.139 nan 8.280 nan 0.000 0.556 1006 K N -0.133 120.361 120.400 0.157 0.000 2.393 1006 K HA 0.409 4.729 4.320 -0.000 0.000 0.193 1006 K C 0.072 176.782 176.600 0.183 0.000 1.026 1006 K CA 0.478 56.837 56.287 0.119 0.000 1.064 1006 K CB 0.486 32.928 32.500 -0.097 0.000 0.833 1006 K HN 0.091 nan 8.250 nan 0.000 0.521 1007 A N 1.380 124.352 122.820 0.253 0.000 2.547 1007 A HA 0.541 4.861 4.320 -0.000 0.000 0.279 1007 A C -0.773 176.998 177.584 0.312 0.000 1.088 1007 A CA -0.836 51.339 52.037 0.229 0.000 0.796 1007 A CB 0.251 19.435 19.000 0.306 0.000 1.308 1007 A HN 0.145 nan 8.150 nan 0.000 0.415 1008 F N 0.245 120.253 119.950 0.097 0.000 3.049 1008 F HA 0.879 5.406 4.527 -0.000 0.000 0.329 1008 F C -1.498 174.352 175.800 0.083 0.000 1.208 1008 F CA -1.614 56.426 58.000 0.067 0.000 0.956 1008 F CB 0.889 39.906 39.000 0.029 0.000 1.469 1008 F HN 0.303 nan 8.300 nan 0.000 0.516 1009 L N 2.261 123.631 121.223 0.244 0.000 2.365 1009 L HA 0.859 5.199 4.340 -0.000 0.000 0.273 1009 L C -0.654 176.336 176.870 0.200 0.000 1.000 1009 L CA -1.151 53.776 54.840 0.145 0.000 0.819 1009 L CB 1.981 44.148 42.059 0.179 0.000 1.284 1009 L HN 0.767 nan 8.230 nan 0.000 0.418 1010 V N -0.545 119.498 119.914 0.215 0.000 3.182 1010 V HA 0.725 4.845 4.120 -0.000 0.000 0.308 1010 V C -1.360 174.982 176.094 0.413 0.000 1.240 1010 V CA -0.675 61.821 62.300 0.327 0.000 1.063 1010 V CB 2.193 34.173 31.823 0.261 0.000 1.076 1010 V HN 0.786 nan 8.190 nan 0.000 0.446 1011 N N -0.143 118.841 118.700 0.474 0.000 2.405 1011 N HA 0.769 5.509 4.740 -0.000 0.000 0.285 1011 N C -1.533 174.196 175.510 0.364 0.000 1.262 1011 N CA -0.598 52.667 53.050 0.360 0.000 0.773 1011 N CB 2.212 40.800 38.487 0.170 0.000 1.490 1011 N HN 1.136 nan 8.380 nan 0.000 0.486 1012 I N 0.192 120.974 120.570 0.353 0.000 2.802 1012 I HA 0.495 4.664 4.170 -0.000 0.000 0.298 1012 I C -1.419 174.782 176.117 0.140 0.000 1.176 1012 I CA -0.457 60.964 61.300 0.201 0.000 1.025 1012 I CB 1.617 39.688 38.000 0.119 0.000 1.243 1012 I HN 0.471 nan 8.210 nan 0.000 0.424 1013 E N 5.201 125.451 120.200 0.083 0.000 2.390 1013 E HA 0.380 4.730 4.350 -0.000 0.000 0.277 1013 E C -1.472 175.145 176.600 0.028 0.000 0.939 1013 E CA -0.961 55.468 56.400 0.049 0.000 0.769 1013 E CB 2.261 31.980 29.700 0.032 0.000 1.251 1013 E HN 0.476 nan 8.360 nan 0.000 0.450 1014 K N 0.700 121.110 120.400 0.017 0.000 2.414 1014 K HA 0.497 4.817 4.320 -0.000 0.000 0.272 1014 K C -0.106 176.499 176.600 0.007 0.000 0.993 1014 K CA 0.064 56.357 56.287 0.010 0.000 0.964 1014 K CB 0.655 33.159 32.500 0.006 0.000 0.925 1014 K HN 0.535 nan 8.250 nan 0.000 0.487 1015 A N 0.000 122.825 122.820 0.009 0.000 2.254 1015 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1015 A CA 0.000 52.043 52.037 0.009 0.000 0.836 1015 A CB 0.000 19.009 19.000 0.016 0.000 0.831 1015 A HN 0.000 nan 8.150 nan 0.000 0.486