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 3fim_1_B DATA FIRST_RESID 2 DATA SEQUENCE DFDYVVVGAG NAGNVVAARL TEDPDVSVLV LEAGVSDENV LGAEAPLLAP DATA SEQUENCE GLVPNSIFDW NYTTTAQAGY NGRSIAYPRG RMLGGSSSVH YMVMMRGSTE DATA SEQUENCE DFDRYAAVTG DEGWNWDNIQ QFVRKNEMVV PPADNHNTSG EFIPAVHGTN DATA SEQUENCE GSVSISLPGF PTPLDDRVLA TTQEQSEEFF FNPDMGTGHP LGISWSIASV DATA SEQUENCE GNGQRSSSST AYLRPAQSRP NLSVLINAQV TKLVNSGTTN GLPAFRcVEY DATA SEQUENCE AEQEGAPTTT VcAKKEVVLS AGSVGTPILL QLSGIGDEND LSSVGIDTIV DATA SEQUENCE NNPSVGRNLS DHLLLPAAFF VNSNQTFDNI FRDSSEFNVD LDQWTNTRTG DATA SEQUENCE PLTALIANHL AWLRLPSNSS IFQTFPDPAA GPNSAHWETI FSNQWFHPAI DATA SEQUENCE PRPDTGSFMS VTNALISPVA RGDIKLATSN PFDKPLINPQ YLSTEFDIFT DATA SEQUENCE MIQAVKSNLR FLSGQAWADF VIRPFDPRLR DPTDDAAIES YIRDNANTIF DATA SEQUENCE HPVGTASMSP RGASWGVVDP DLKVKGVDGL RIVDGSILPF APNAHTQGPI DATA SEQUENCE YLVGKQGADL IKADQ 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.190 176.300 -0.183 0.000 2.045 2 D CA 0.000 53.928 54.000 -0.119 0.000 0.868 2 D CB 0.000 40.824 40.800 0.040 0.000 0.688 3 F N 0.769 120.724 119.950 0.007 0.000 2.389 3 F HA 0.247 4.774 4.527 -0.000 0.000 0.337 3 F C 1.819 177.589 175.800 -0.049 0.000 1.112 3 F CA -0.161 57.842 58.000 0.005 0.000 1.192 3 F CB 0.683 39.704 39.000 0.035 0.000 1.185 3 F HN 0.181 nan 8.300 nan 0.000 0.552 4 D N 0.813 121.269 120.400 0.092 0.000 2.117 4 D HA -0.143 4.496 4.640 -0.000 0.000 0.198 4 D C -0.278 175.759 176.300 -0.439 0.000 0.982 4 D CA 1.800 55.685 54.000 -0.191 0.000 0.828 4 D CB -0.013 40.678 40.800 -0.182 0.000 0.967 4 D HN 0.338 nan 8.370 nan 0.000 0.464 5 Y N -0.816 119.571 120.300 0.145 0.000 2.499 5 Y HA 0.457 5.007 4.550 -0.000 0.000 0.347 5 Y C -0.237 175.696 175.900 0.055 0.000 0.987 5 Y CA -1.033 57.119 58.100 0.087 0.000 1.044 5 Y CB 2.323 40.816 38.460 0.054 0.000 1.245 5 Y HN -0.421 nan 8.280 nan 0.000 0.461 6 V N 2.353 122.365 119.914 0.163 0.000 2.444 6 V HA 0.451 4.571 4.120 -0.000 0.000 0.294 6 V C -0.764 175.365 176.094 0.058 0.000 1.022 6 V CA -1.226 61.099 62.300 0.043 0.000 0.850 6 V CB 1.425 33.259 31.823 0.019 0.000 0.992 6 V HN 0.781 nan 8.190 nan 0.000 0.426 7 V N 2.660 122.586 119.914 0.020 0.000 6.753 7 V HA -0.166 3.954 4.120 -0.000 0.000 0.356 7 V C 0.686 176.757 176.094 -0.038 0.000 0.419 7 V CA 0.725 63.010 62.300 -0.024 0.000 0.743 7 V CB -2.390 29.416 31.823 -0.028 0.000 0.383 7 V HN 0.924 nan 8.190 nan 0.000 0.999 8 V N 1.218 121.122 119.914 -0.017 0.000 2.265 8 V HA 0.475 4.594 4.120 -0.000 0.000 0.224 8 V C 1.688 177.777 176.094 -0.009 0.000 1.023 8 V CA 2.173 64.465 62.300 -0.013 0.000 1.011 8 V CB 0.270 32.094 31.823 0.002 0.000 0.651 8 V HN 1.708 nan 8.190 nan 0.000 0.466 9 G N -1.659 107.136 108.800 -0.008 0.000 2.502 9 G HA2 0.557 4.517 3.960 -0.000 0.000 0.305 9 G HA3 0.557 4.517 3.960 -0.000 0.000 0.305 9 G C -0.095 174.808 174.900 0.005 0.000 1.190 9 G CA -0.212 44.900 45.100 0.020 0.000 0.933 9 G HN 1.177 nan 8.290 nan 0.000 0.503 10 A N 0.384 123.214 122.820 0.018 0.000 3.117 10 A HA 0.618 4.938 4.320 -0.000 0.000 0.255 10 A C 1.035 178.625 177.584 0.010 0.000 1.583 10 A CA 0.293 52.334 52.037 0.007 0.000 1.234 10 A CB -0.797 18.209 19.000 0.009 0.000 1.076 10 A HN 1.019 nan 8.150 nan 0.000 0.653 11 G N -0.526 108.269 108.800 -0.009 0.000 2.857 11 G HA2 0.214 4.174 3.960 -0.000 0.000 0.217 11 G HA3 0.214 4.174 3.960 -0.000 0.000 0.217 11 G C 0.803 175.660 174.900 -0.072 0.000 1.357 11 G CA 0.069 45.153 45.100 -0.026 0.000 1.033 11 G HN 0.468 nan 8.290 nan 0.000 0.571 12 N N -0.978 117.643 118.700 -0.132 0.000 2.061 12 N HA -0.136 4.603 4.740 -0.000 0.000 0.193 12 N C 2.192 177.529 175.510 -0.289 0.000 1.030 12 N CA 1.701 54.588 53.050 -0.272 0.000 0.856 12 N CB -0.085 38.204 38.487 -0.331 0.000 1.023 12 N HN 0.410 nan 8.380 nan 0.000 0.424 13 A N -0.354 122.349 122.820 -0.196 0.000 1.956 13 A HA 0.235 4.555 4.320 -0.000 0.000 0.212 13 A C 2.216 179.723 177.584 -0.129 0.000 1.188 13 A CA 0.930 52.875 52.037 -0.154 0.000 0.675 13 A CB -0.866 18.066 19.000 -0.113 0.000 0.845 13 A HN 0.450 nan 8.150 nan 0.000 0.455 14 G N 0.619 109.360 108.800 -0.097 0.000 2.442 14 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 14 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 14 G C 1.307 176.157 174.900 -0.085 0.000 1.141 14 G CA 1.218 46.271 45.100 -0.078 0.000 0.763 14 G HN 0.499 nan 8.290 nan 0.000 0.554 15 N N 0.334 118.985 118.700 -0.082 0.000 2.244 15 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 15 N C 2.353 177.750 175.510 -0.189 0.000 1.016 15 N CA 0.988 54.002 53.050 -0.061 0.000 0.866 15 N CB -0.384 38.124 38.487 0.035 0.000 0.980 15 N HN 0.232 nan 8.380 nan 0.000 0.430 16 V N 0.743 120.413 119.914 -0.407 0.000 2.255 16 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 16 V C 2.443 178.385 176.094 -0.253 0.000 1.051 16 V CA 1.329 63.264 62.300 -0.609 0.000 1.018 16 V CB -0.740 30.772 31.823 -0.519 0.000 0.641 16 V HN 0.053 nan 8.190 nan 0.000 0.445 17 V N 0.445 120.252 119.914 -0.178 0.000 2.261 17 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 17 V C 2.766 178.795 176.094 -0.108 0.000 1.047 17 V CA 2.154 64.369 62.300 -0.140 0.000 1.015 17 V CB -1.332 30.413 31.823 -0.130 0.000 0.642 17 V HN 0.556 nan 8.190 nan 0.000 0.446 18 A N 0.038 122.813 122.820 -0.075 0.000 1.883 18 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 18 A C 2.424 180.013 177.584 0.009 0.000 1.186 18 A CA 2.432 54.451 52.037 -0.029 0.000 0.624 18 A CB -0.897 18.097 19.000 -0.010 0.000 0.822 18 A HN 0.591 nan 8.150 nan 0.000 0.444 19 A N -0.679 122.167 122.820 0.042 0.000 1.873 19 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 19 A C 2.228 179.868 177.584 0.095 0.000 1.186 19 A CA 1.436 53.542 52.037 0.114 0.000 0.616 19 A CB -0.446 18.715 19.000 0.268 0.000 0.823 19 A HN 0.394 nan 8.150 nan 0.000 0.442 20 R N -0.123 120.416 120.500 0.064 0.000 2.083 20 R HA -0.069 4.271 4.340 -0.000 0.000 0.237 20 R C 2.069 178.372 176.300 0.006 0.000 1.137 20 R CA 1.373 57.499 56.100 0.042 0.000 0.951 20 R CB -1.199 29.107 30.300 0.010 0.000 0.851 20 R HN 0.593 nan 8.270 nan 0.000 0.434 21 L N 0.824 122.022 121.223 -0.042 0.000 2.191 21 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 21 L C 2.117 178.999 176.870 0.019 0.000 1.103 21 L CA 1.711 56.513 54.840 -0.064 0.000 0.769 21 L CB -0.724 41.219 42.059 -0.193 0.000 0.908 21 L HN 0.325 nan 8.230 nan 0.000 0.438 22 T N -4.794 109.786 114.554 0.043 0.000 3.129 22 T HA 0.011 4.361 4.350 -0.000 0.000 0.251 22 T C 1.334 176.072 174.700 0.062 0.000 1.117 22 T CA 0.023 62.166 62.100 0.070 0.000 1.034 22 T CB -0.001 68.917 68.868 0.084 0.000 0.968 22 T HN 0.314 nan 8.240 nan 0.000 0.526 23 E N 1.498 121.730 120.200 0.054 0.000 2.160 23 E HA -0.107 4.243 4.350 -0.000 0.000 0.195 23 E C 0.578 177.205 176.600 0.045 0.000 0.991 23 E CA 0.849 57.278 56.400 0.049 0.000 0.810 23 E CB -0.005 29.724 29.700 0.047 0.000 0.742 23 E HN 0.481 nan 8.360 nan 0.000 0.466 24 D N 0.204 120.633 120.400 0.049 0.000 2.339 24 D HA 0.021 4.660 4.640 -0.000 0.000 0.241 24 D C -1.720 174.615 176.300 0.057 0.000 1.183 24 D CA -2.478 51.552 54.000 0.050 0.000 0.859 24 D CB 1.220 42.053 40.800 0.056 0.000 1.067 24 D HN -0.130 nan 8.370 nan 0.000 0.484 25 P HA -0.051 nan 4.420 nan 0.000 0.228 25 P C 0.222 177.551 177.300 0.048 0.000 1.151 25 P CA 0.642 63.770 63.100 0.047 0.000 0.770 25 P CB 0.506 32.227 31.700 0.035 0.000 0.786 26 D N -0.653 119.777 120.400 0.049 0.000 2.339 26 D HA 0.066 4.706 4.640 -0.000 0.000 0.217 26 D C 0.265 176.605 176.300 0.066 0.000 1.050 26 D CA 0.293 54.321 54.000 0.045 0.000 0.856 26 D CB 0.700 41.522 40.800 0.037 0.000 0.922 26 D HN 0.080 nan 8.370 nan 0.000 0.518 27 V N 1.827 121.800 119.914 0.098 0.000 2.347 27 V HA 0.197 4.317 4.120 -0.000 0.000 0.280 27 V C 0.239 176.439 176.094 0.177 0.000 1.021 27 V CA -0.742 61.653 62.300 0.158 0.000 0.847 27 V CB 1.569 33.514 31.823 0.202 0.000 0.990 27 V HN 0.048 nan 8.190 nan 0.000 0.444 28 S N 4.802 120.621 115.700 0.199 0.000 2.508 28 S HA 0.825 5.295 4.470 -0.000 0.000 0.284 28 S C -0.712 174.137 174.600 0.415 0.000 1.192 28 S CA -0.671 57.691 58.200 0.270 0.000 1.070 28 S CB 1.820 65.118 63.200 0.164 0.000 1.004 28 S HN 0.391 nan 8.310 nan 0.000 0.493 29 V N 3.216 123.367 119.914 0.394 0.000 2.656 29 V HA 0.534 4.654 4.120 -0.000 0.000 0.307 29 V C -0.895 175.198 176.094 -0.002 0.000 1.051 29 V CA -0.821 61.632 62.300 0.255 0.000 0.893 29 V CB 1.670 33.582 31.823 0.148 0.000 0.999 29 V HN 0.903 nan 8.190 nan 0.000 0.426 30 L N 5.949 126.954 121.223 -0.364 0.000 2.287 30 L HA 0.686 5.026 4.340 -0.000 0.000 0.287 30 L C -0.493 176.195 176.870 -0.302 0.000 1.022 30 L CA -0.000 54.435 54.840 -0.675 0.000 0.814 30 L CB 1.635 42.974 42.059 -1.201 0.000 1.217 30 L HN 0.462 nan 8.230 nan 0.000 0.420 31 V N 6.580 126.363 119.914 -0.219 0.000 2.407 31 V HA 0.388 4.508 4.120 -0.000 0.000 0.278 31 V C 0.079 176.062 176.094 -0.184 0.000 1.037 31 V CA -0.534 61.678 62.300 -0.146 0.000 0.900 31 V CB 1.245 33.020 31.823 -0.081 0.000 0.983 31 V HN 0.575 nan 8.190 nan 0.000 0.459 32 L N 4.364 125.480 121.223 -0.179 0.000 2.280 32 L HA 0.615 4.955 4.340 -0.000 0.000 0.287 32 L C -0.179 176.633 176.870 -0.097 0.000 1.023 32 L CA -0.341 54.368 54.840 -0.217 0.000 0.819 32 L CB 1.389 43.261 42.059 -0.312 0.000 1.212 32 L HN 0.592 nan 8.230 nan 0.000 0.420 33 E N 2.126 122.284 120.200 -0.069 0.000 2.158 33 E HA 0.496 4.846 4.350 -0.000 0.000 0.271 33 E C 0.381 176.999 176.600 0.029 0.000 0.911 33 E CA -0.323 56.081 56.400 0.007 0.000 0.767 33 E CB 2.080 31.786 29.700 0.010 0.000 1.120 33 E HN 0.550 nan 8.360 nan 0.000 0.405 34 A N 3.856 126.736 122.820 0.101 0.000 1.933 34 A HA 0.115 4.435 4.320 -0.000 0.000 0.218 34 A C 1.277 178.827 177.584 -0.056 0.000 1.175 34 A CA 1.494 53.575 52.037 0.073 0.000 0.628 34 A CB -0.825 18.295 19.000 0.199 0.000 0.814 34 A HN 0.604 nan 8.150 nan 0.000 0.444 35 G N -1.353 107.408 108.800 -0.066 0.000 2.510 35 G HA2 0.461 4.421 3.960 -0.000 0.000 0.280 35 G HA3 0.461 4.421 3.960 -0.000 0.000 0.280 35 G C 0.324 175.199 174.900 -0.042 0.000 1.386 35 G CA 0.235 45.268 45.100 -0.112 0.000 1.047 35 G HN 0.927 nan 8.290 nan 0.000 0.527 36 V N -2.440 117.465 119.914 -0.014 0.000 3.369 36 V HA 0.702 4.821 4.120 -0.000 0.000 0.309 36 V C 0.920 177.057 176.094 0.071 0.000 1.069 36 V CA -0.576 61.742 62.300 0.029 0.000 1.042 36 V CB 1.036 32.883 31.823 0.040 0.000 1.192 36 V HN 0.704 nan 8.190 nan 0.000 0.447 37 S N 0.679 116.424 115.700 0.075 0.000 2.573 37 S HA 0.064 4.534 4.470 -0.000 0.000 0.277 37 S C 0.864 175.518 174.600 0.089 0.000 1.346 37 S CA 0.294 58.537 58.200 0.071 0.000 1.034 37 S CB 0.271 63.508 63.200 0.061 0.000 0.879 37 S HN 1.093 nan 8.310 nan 0.000 0.528 38 D N 1.763 122.192 120.400 0.047 0.000 2.349 38 D HA 0.037 4.677 4.640 -0.000 0.000 0.215 38 D C 0.329 176.631 176.300 0.004 0.000 1.016 38 D CA -0.005 53.995 54.000 0.001 0.000 0.870 38 D CB -0.146 40.648 40.800 -0.011 0.000 0.917 38 D HN 0.446 nan 8.370 nan 0.000 0.524 39 E N 1.198 121.418 120.200 0.033 0.000 2.376 39 E HA 0.090 4.440 4.350 -0.000 0.000 0.266 39 E C -0.431 176.195 176.600 0.043 0.000 1.009 39 E CA 0.031 56.454 56.400 0.038 0.000 0.902 39 E CB -0.150 29.576 29.700 0.043 0.000 0.972 39 E HN 0.119 nan 8.360 nan 0.000 0.439 40 N N 1.744 120.472 118.700 0.046 0.000 2.669 40 N HA -0.182 4.558 4.740 -0.000 0.000 0.266 40 N C -1.408 174.131 175.510 0.048 0.000 1.024 40 N CA 0.280 53.364 53.050 0.058 0.000 0.766 40 N CB -0.730 37.794 38.487 0.061 0.000 0.898 40 N HN 0.078 nan 8.380 nan 0.000 0.548 41 V N 1.602 121.519 119.914 0.006 0.000 2.289 41 V HA 0.135 4.255 4.120 -0.000 0.000 0.272 41 V C 1.191 177.256 176.094 -0.048 0.000 1.026 41 V CA -0.653 61.609 62.300 -0.064 0.000 0.807 41 V CB 1.330 32.996 31.823 -0.262 0.000 1.044 41 V HN 0.349 nan 8.190 nan 0.000 0.443 42 L N 5.158 126.382 121.223 0.003 0.000 2.034 42 L HA -0.159 4.181 4.340 -0.000 0.000 0.217 42 L C 2.254 179.065 176.870 -0.099 0.000 1.077 42 L CA 2.977 57.809 54.840 -0.013 0.000 0.769 42 L CB -0.719 41.354 42.059 0.023 0.000 0.890 42 L HN 0.634 nan 8.230 nan 0.000 0.435 43 G N -1.840 106.902 108.800 -0.096 0.000 2.470 43 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.220 43 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.220 43 G C 1.352 176.182 174.900 -0.118 0.000 1.121 43 G CA 0.634 45.672 45.100 -0.103 0.000 0.766 43 G HN 0.691 nan 8.290 nan 0.000 0.553 44 A N -0.300 122.432 122.820 -0.147 0.000 2.308 44 A HA 0.395 4.715 4.320 -0.000 0.000 0.217 44 A C 1.858 179.431 177.584 -0.018 0.000 1.216 44 A CA 0.807 52.780 52.037 -0.106 0.000 0.864 44 A CB 0.150 19.040 19.000 -0.183 0.000 0.902 44 A HN 0.402 nan 8.150 nan 0.000 0.499 45 E N -0.076 120.122 120.200 -0.003 0.000 2.228 45 E HA 0.279 4.629 4.350 -0.000 0.000 0.197 45 E C 0.819 177.466 176.600 0.078 0.000 0.909 45 E CA 0.357 56.830 56.400 0.121 0.000 0.911 45 E CB 0.088 29.962 29.700 0.290 0.000 0.887 45 E HN 0.412 nan 8.360 nan 0.000 0.481 46 A N 2.726 125.359 122.820 -0.313 0.000 2.395 46 A HA 0.183 4.503 4.320 -0.000 0.000 0.286 46 A C -1.928 175.494 177.584 -0.271 0.000 1.193 46 A CA -1.185 50.444 52.037 -0.680 0.000 0.852 46 A CB 0.062 18.300 19.000 -1.269 0.000 1.118 46 A HN -0.066 nan 8.150 nan 0.000 0.524 47 P HA -0.217 nan 4.420 nan 0.000 0.216 47 P C 1.571 178.833 177.300 -0.063 0.000 1.157 47 P CA 0.839 63.926 63.100 -0.023 0.000 0.880 47 P CB 0.115 31.837 31.700 0.037 0.000 0.791 48 L N -1.138 120.009 121.223 -0.126 0.000 2.187 48 L HA -0.133 4.207 4.340 -0.000 0.000 0.213 48 L C 1.971 178.865 176.870 0.040 0.000 1.100 48 L CA 1.687 56.473 54.840 -0.090 0.000 0.765 48 L CB -1.087 40.856 42.059 -0.194 0.000 0.904 48 L HN -0.068 nan 8.230 nan 0.000 0.437 49 L N -1.374 119.844 121.223 -0.007 0.000 2.599 49 L HA 0.033 4.373 4.340 -0.000 0.000 0.230 49 L C 2.440 179.320 176.870 0.016 0.000 1.141 49 L CA 0.401 55.269 54.840 0.048 0.000 0.877 49 L CB -0.824 41.217 42.059 -0.031 0.000 1.009 49 L HN 0.289 nan 8.230 nan 0.000 0.447 50 A N 1.457 124.282 122.820 0.009 0.000 1.873 50 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 50 A C 0.018 177.666 177.584 0.107 0.000 1.193 50 A CA 1.677 53.760 52.037 0.077 0.000 0.629 50 A CB -1.695 17.415 19.000 0.184 0.000 0.826 50 A HN 0.268 nan 8.150 nan 0.000 0.447 51 P HA -0.145 nan 4.420 nan 0.000 0.216 51 P C 1.592 178.931 177.300 0.064 0.000 1.150 51 P CA 1.764 64.893 63.100 0.049 0.000 0.843 51 P CB -0.428 31.201 31.700 -0.120 0.000 0.787 52 G N -0.825 107.974 108.800 -0.002 0.000 2.527 52 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 52 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 52 G C 1.343 176.272 174.900 0.049 0.000 1.117 52 G CA 0.241 45.348 45.100 0.012 0.000 0.759 52 G HN 0.184 nan 8.290 nan 0.000 0.556 53 L N 0.112 121.373 121.223 0.064 0.000 2.131 53 L HA 0.243 4.583 4.340 -0.000 0.000 0.206 53 L C 1.248 178.191 176.870 0.121 0.000 1.087 53 L CA 0.883 55.773 54.840 0.083 0.000 0.767 53 L CB 0.016 42.091 42.059 0.026 0.000 0.917 53 L HN 0.187 nan 8.230 nan 0.000 0.441 54 V N -5.212 114.742 119.914 0.066 0.000 3.078 54 V HA 0.526 4.646 4.120 -0.000 0.000 0.311 54 V C -2.137 173.962 176.094 0.008 0.000 1.138 54 V CA -1.044 61.275 62.300 0.032 0.000 1.007 54 V CB 1.293 33.113 31.823 -0.005 0.000 1.045 54 V HN -0.017 nan 8.190 nan 0.000 0.432 55 P HA 0.099 nan 4.420 nan 0.000 0.245 55 P C -0.046 177.270 177.300 0.028 0.000 1.206 55 P CA 0.365 63.481 63.100 0.026 0.000 0.781 55 P CB 0.203 31.937 31.700 0.056 0.000 0.994 56 N N 1.017 119.732 118.700 0.025 0.000 2.936 56 N HA 0.213 4.952 4.740 -0.000 0.000 0.243 56 N C -0.341 175.161 175.510 -0.014 0.000 1.149 56 N CA 0.231 53.286 53.050 0.009 0.000 0.914 56 N CB 1.003 39.498 38.487 0.012 0.000 1.179 56 N HN 0.213 nan 8.380 nan 0.000 0.502 57 S N -0.805 114.871 115.700 -0.040 0.000 2.611 57 S HA 0.289 4.759 4.470 -0.000 0.000 0.268 57 S C 0.987 175.466 174.600 -0.201 0.000 1.156 57 S CA -0.869 57.276 58.200 -0.091 0.000 0.817 57 S CB 0.462 63.659 63.200 -0.006 0.000 1.122 57 S HN 0.255 nan 8.310 nan 0.000 0.466 58 I N -1.676 118.667 120.570 -0.378 0.000 2.614 58 I HA 0.163 4.332 4.170 -0.000 0.000 0.258 58 I C 1.009 176.770 176.117 -0.593 0.000 1.189 58 I CA 1.121 62.108 61.300 -0.522 0.000 1.462 58 I CB -0.611 37.016 38.000 -0.621 0.000 1.092 58 I HN 0.476 nan 8.210 nan 0.000 0.442 59 F N 1.106 120.994 119.950 -0.103 0.000 2.773 59 F HA 0.282 4.808 4.527 -0.000 0.000 0.304 59 F C 0.573 176.300 175.800 -0.123 0.000 1.129 59 F CA -0.406 57.530 58.000 -0.107 0.000 1.378 59 F CB -0.685 38.279 39.000 -0.060 0.000 1.095 59 F HN 0.143 nan 8.300 nan 0.000 0.565 60 D N -2.016 118.347 120.400 -0.062 0.000 2.457 60 D HA 0.166 4.806 4.640 -0.000 0.000 0.240 60 D C 0.203 176.390 176.300 -0.188 0.000 1.041 60 D CA -0.803 53.168 54.000 -0.048 0.000 0.861 60 D CB 0.957 41.752 40.800 -0.008 0.000 1.394 60 D HN -0.003 nan 8.370 nan 0.000 0.473 61 W N 1.623 122.762 121.300 -0.268 0.000 2.595 61 W HA 0.050 4.710 4.660 -0.000 0.000 0.257 61 W C 0.642 176.852 176.519 -0.515 0.000 1.267 61 W CA 0.087 57.111 57.345 -0.536 0.000 1.300 61 W CB -0.102 28.714 29.460 -1.072 0.000 1.120 61 W HN 0.456 nan 8.180 nan 0.000 0.618 62 N N -1.787 116.860 118.700 -0.087 0.000 2.776 62 N HA -0.214 4.526 4.740 -0.000 0.000 0.250 62 N C -0.913 174.691 175.510 0.156 0.000 1.112 62 N CA 0.976 54.043 53.050 0.028 0.000 0.733 62 N CB -2.206 36.288 38.487 0.011 0.000 1.097 62 N HN 0.116 nan 8.380 nan 0.000 0.558 63 Y N 0.981 121.420 120.300 0.232 0.000 2.457 63 Y HA 0.308 4.857 4.550 -0.000 0.000 0.341 63 Y C 1.843 177.868 175.900 0.209 0.000 1.240 63 Y CA -0.306 57.918 58.100 0.206 0.000 1.437 63 Y CB 0.434 39.036 38.460 0.237 0.000 1.328 63 Y HN 0.169 nan 8.280 nan 0.000 0.588 64 T N -2.452 112.301 114.554 0.331 0.000 2.883 64 T HA 0.597 4.947 4.350 -0.000 0.000 0.296 64 T C -0.172 174.597 174.700 0.116 0.000 1.117 64 T CA -0.898 61.347 62.100 0.242 0.000 1.006 64 T CB 1.359 70.331 68.868 0.172 0.000 1.191 64 T HN 0.666 nan 8.240 nan 0.000 0.508 65 T N -0.207 114.399 114.554 0.086 0.000 2.849 65 T HA 0.524 4.874 4.350 -0.000 0.000 0.284 65 T C 0.905 175.590 174.700 -0.024 0.000 1.004 65 T CA -0.123 61.949 62.100 -0.046 0.000 1.021 65 T CB 0.223 69.078 68.868 -0.022 0.000 1.013 65 T HN 1.147 nan 8.240 nan 0.000 0.527 66 T N -0.545 113.963 114.554 -0.077 0.000 2.734 66 T HA 0.427 4.776 4.350 -0.000 0.000 0.314 66 T C 0.712 175.395 174.700 -0.029 0.000 1.057 66 T CA -0.516 61.552 62.100 -0.054 0.000 1.047 66 T CB -0.270 68.547 68.868 -0.085 0.000 0.991 66 T HN 1.137 nan 8.240 nan 0.000 0.540 67 A N 2.294 125.107 122.820 -0.013 0.000 2.548 67 A HA 0.240 4.560 4.320 -0.000 0.000 0.247 67 A C 0.655 178.227 177.584 -0.021 0.000 1.067 67 A CA -0.413 51.627 52.037 0.005 0.000 0.757 67 A CB -0.229 18.776 19.000 0.008 0.000 0.996 67 A HN 0.726 nan 8.150 nan 0.000 0.504 68 Q N 2.242 122.037 119.800 -0.008 0.000 2.349 68 Q HA 0.361 4.701 4.340 -0.000 0.000 0.254 68 Q C 1.150 177.139 176.000 -0.018 0.000 0.980 68 Q CA 0.392 56.152 55.803 -0.071 0.000 0.924 68 Q CB 1.202 29.813 28.738 -0.212 0.000 1.209 68 Q HN 0.830 nan 8.270 nan 0.000 0.445 69 A N 3.136 125.939 122.820 -0.027 0.000 1.978 69 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 69 A C 1.893 179.496 177.584 0.031 0.000 1.170 69 A CA 1.805 53.845 52.037 0.005 0.000 0.636 69 A CB -0.546 18.450 19.000 -0.007 0.000 0.810 69 A HN 0.797 nan 8.150 nan 0.000 0.448 70 G N -2.376 106.428 108.800 0.006 0.000 2.470 70 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.220 70 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.220 70 G C 0.789 175.855 174.900 0.277 0.000 1.121 70 G CA 0.813 45.955 45.100 0.071 0.000 0.766 70 G HN 0.503 nan 8.290 nan 0.000 0.553 71 Y N 0.566 120.874 120.300 0.014 0.000 2.751 71 Y HA 0.253 4.803 4.550 -0.000 0.000 0.289 71 Y C 0.729 176.617 175.900 -0.020 0.000 1.110 71 Y CA -1.914 56.178 58.100 -0.015 0.000 1.251 71 Y CB -0.683 37.778 38.460 0.002 0.000 1.178 71 Y HN 0.123 nan 8.280 nan 0.000 0.540 72 N N 0.674 119.455 118.700 0.135 0.000 2.710 72 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 72 N C 1.396 176.941 175.510 0.060 0.000 1.059 72 N CA 1.563 54.653 53.050 0.066 0.000 0.720 72 N CB -1.193 37.311 38.487 0.029 0.000 0.983 72 N HN 0.743 nan 8.380 nan 0.000 0.544 73 G N -1.529 107.314 108.800 0.072 0.000 2.176 73 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.232 73 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.232 73 G C 0.128 175.069 174.900 0.068 0.000 0.986 73 G CA 0.230 45.361 45.100 0.052 0.000 0.643 73 G HN 0.521 nan 8.290 nan 0.000 0.522 74 R N 0.893 121.460 120.500 0.113 0.000 2.490 74 R HA 0.531 4.871 4.340 -0.000 0.000 0.280 74 R C 0.104 176.487 176.300 0.139 0.000 1.077 74 R CA 0.077 56.248 56.100 0.118 0.000 1.065 74 R CB 0.846 31.225 30.300 0.133 0.000 1.003 74 R HN 0.199 nan 8.270 nan 0.000 0.470 75 S N 2.969 118.734 115.700 0.108 0.000 2.562 75 S HA 0.426 4.896 4.470 -0.000 0.000 0.275 75 S C 0.181 174.873 174.600 0.153 0.000 1.281 75 S CA -0.732 57.538 58.200 0.117 0.000 1.045 75 S CB 0.654 63.906 63.200 0.086 0.000 0.962 75 S HN 0.490 nan 8.310 nan 0.000 0.503 76 I N -0.455 120.234 120.570 0.199 0.000 2.846 76 I HA 0.886 5.056 4.170 -0.000 0.000 0.307 76 I C -0.015 176.252 176.117 0.249 0.000 1.053 76 I CA -1.564 59.867 61.300 0.218 0.000 1.050 76 I CB 1.545 39.704 38.000 0.264 0.000 1.239 76 I HN 0.581 nan 8.210 nan 0.000 0.439 77 A N 3.069 126.030 122.820 0.234 0.000 2.483 77 A HA 0.219 4.539 4.320 -0.000 0.000 0.238 77 A C -0.969 176.852 177.584 0.395 0.000 1.070 77 A CA 0.398 52.593 52.037 0.264 0.000 0.770 77 A CB -0.195 18.920 19.000 0.192 0.000 1.008 77 A HN 0.744 nan 8.150 nan 0.000 0.497 78 Y N 3.354 123.800 120.300 0.244 0.000 2.584 78 Y HA 0.310 4.860 4.550 -0.000 0.000 0.358 78 Y C -2.244 173.819 175.900 0.272 0.000 1.028 78 Y CA -2.556 55.715 58.100 0.286 0.000 1.148 78 Y CB 1.030 39.641 38.460 0.252 0.000 1.126 78 Y HN 0.516 nan 8.280 nan 0.000 0.658 79 P HA 0.186 nan 4.420 nan 0.000 0.269 79 P C -0.606 176.687 177.300 -0.011 0.000 1.209 79 P CA -0.003 63.091 63.100 -0.010 0.000 0.776 79 P CB 1.081 32.665 31.700 -0.192 0.000 0.876 80 R N 0.693 121.247 120.500 0.089 0.000 2.584 80 R HA 0.535 4.875 4.340 -0.000 0.000 0.276 80 R C 0.044 176.476 176.300 0.220 0.000 1.046 80 R CA -0.785 55.406 56.100 0.152 0.000 0.906 80 R CB 1.474 31.920 30.300 0.243 0.000 1.215 80 R HN 0.635 nan 8.270 nan 0.000 0.449 81 G N 1.056 109.954 108.800 0.164 0.000 2.442 81 G HA2 0.345 4.305 3.960 -0.000 0.000 0.249 81 G HA3 0.345 4.305 3.960 -0.000 0.000 0.249 81 G C -0.471 174.587 174.900 0.263 0.000 1.263 81 G CA -0.316 44.878 45.100 0.158 0.000 0.846 81 G HN 0.383 nan 8.290 nan 0.000 0.555 82 R N 1.910 122.467 120.500 0.095 0.000 2.629 82 R HA 0.476 4.815 4.340 -0.000 0.000 0.277 82 R C -0.062 176.224 176.300 -0.024 0.000 1.637 82 R CA -0.319 55.716 56.100 -0.108 0.000 1.663 82 R CB -0.063 29.789 30.300 -0.747 0.000 1.228 82 R HN 0.770 nan 8.270 nan 0.000 0.632 83 M N -0.790 118.849 119.600 0.065 0.000 3.069 83 M HA 0.263 4.743 4.480 -0.000 0.000 0.274 83 M C -1.492 174.844 176.300 0.059 0.000 1.146 83 M CA -1.068 54.275 55.300 0.072 0.000 0.807 83 M CB 1.031 33.713 32.600 0.137 0.000 1.621 83 M HN -0.048 nan 8.290 nan 0.000 0.521 84 L N 2.137 123.389 121.223 0.048 0.000 2.640 84 L HA 0.263 4.603 4.340 -0.000 0.000 0.280 84 L C 1.283 178.171 176.870 0.030 0.000 1.229 84 L CA 1.926 56.789 54.840 0.038 0.000 0.919 84 L CB -0.191 41.891 42.059 0.037 0.000 1.168 84 L HN 1.148 nan 8.230 nan 0.000 0.496 85 G N 1.474 110.291 108.800 0.029 0.000 2.234 85 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.235 85 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.235 85 G C 0.734 175.622 174.900 -0.020 0.000 0.997 85 G CA -0.124 44.985 45.100 0.014 0.000 0.623 85 G HN 1.454 nan 8.290 nan 0.000 0.514 86 G N -0.220 108.587 108.800 0.011 0.000 2.566 86 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.280 86 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.280 86 G C 1.202 176.092 174.900 -0.017 0.000 1.225 86 G CA 1.292 46.408 45.100 0.026 0.000 0.966 86 G HN 1.503 nan 8.290 nan 0.000 0.560 87 S N 0.731 116.407 115.700 -0.039 0.000 2.481 87 S HA 0.006 4.476 4.470 -0.000 0.000 0.231 87 S C 2.577 177.007 174.600 -0.282 0.000 0.996 87 S CA 1.820 59.972 58.200 -0.081 0.000 0.942 87 S CB -0.257 62.929 63.200 -0.022 0.000 0.768 87 S HN 1.723 nan 8.310 nan 0.000 0.520 88 S N 0.955 116.422 115.700 -0.389 0.000 2.547 88 S HA 0.051 4.521 4.470 -0.000 0.000 0.235 88 S C 1.434 175.732 174.600 -0.503 0.000 0.980 88 S CA 0.781 58.514 58.200 -0.779 0.000 0.941 88 S CB -0.246 62.747 63.200 -0.346 0.000 0.763 88 S HN 0.295 nan 8.310 nan 0.000 0.532 89 S N 0.351 115.909 115.700 -0.237 0.000 2.535 89 S HA 0.215 4.685 4.470 -0.000 0.000 0.214 89 S C 1.366 175.915 174.600 -0.084 0.000 0.980 89 S CA 0.364 58.496 58.200 -0.113 0.000 0.907 89 S CB 0.780 63.934 63.200 -0.076 0.000 0.790 89 S HN 0.730 nan 8.310 nan 0.000 0.510 90 V N -0.583 119.282 119.914 -0.081 0.000 3.548 90 V HA 0.335 4.455 4.120 -0.000 0.000 0.279 90 V C 0.608 176.764 176.094 0.103 0.000 1.446 90 V CA -0.350 61.949 62.300 -0.001 0.000 1.023 90 V CB -0.819 30.991 31.823 -0.023 0.000 0.820 90 V HN 0.510 nan 8.190 nan 0.000 0.438 91 H N -0.110 118.965 119.070 0.009 0.000 2.654 91 H HA 0.308 4.864 4.556 -0.000 0.000 0.376 91 H C 0.319 175.782 175.328 0.226 0.000 1.503 91 H CA -0.313 55.728 56.048 -0.012 0.000 1.464 91 H CB -0.270 29.494 29.762 0.004 0.000 1.565 91 H HN 0.184 nan 8.280 nan 0.000 0.614 92 Y N -0.769 119.606 120.300 0.124 0.000 2.468 92 Y HA 0.203 4.753 4.550 -0.000 0.000 0.268 92 Y C 1.369 177.227 175.900 -0.071 0.000 1.177 92 Y CA -0.022 58.105 58.100 0.045 0.000 1.265 92 Y CB -0.782 37.725 38.460 0.078 0.000 1.103 92 Y HN 0.679 nan 8.280 nan 0.000 0.522 93 M N -2.304 117.146 119.600 -0.250 0.000 2.931 93 M HA -0.241 4.239 4.480 -0.000 0.000 0.190 93 M C -0.131 176.108 176.300 -0.103 0.000 0.626 93 M CA 0.488 55.652 55.300 -0.227 0.000 0.722 93 M CB -1.681 30.961 32.600 0.070 0.000 2.597 93 M HN -0.171 nan 8.290 nan 0.000 0.299 94 V N 1.583 121.463 119.914 -0.057 0.000 2.673 94 V HA 0.139 4.259 4.120 -0.000 0.000 0.303 94 V C 0.242 176.315 176.094 -0.035 0.000 1.046 94 V CA 0.707 62.975 62.300 -0.053 0.000 1.126 94 V CB 1.129 32.845 31.823 -0.178 0.000 0.934 94 V HN 0.326 nan 8.190 nan 0.000 0.487 95 M N 8.605 128.213 119.600 0.014 0.000 2.253 95 M HA 0.742 5.222 4.480 -0.000 0.000 0.314 95 M C -0.840 175.519 176.300 0.098 0.000 1.019 95 M CA -0.400 54.952 55.300 0.087 0.000 0.932 95 M CB 1.425 34.092 32.600 0.112 0.000 1.606 95 M HN 0.761 nan 8.290 nan 0.000 0.430 96 M N 3.345 123.020 119.600 0.125 0.000 2.732 96 M HA 0.517 4.996 4.480 -0.000 0.000 0.272 96 M C -1.227 175.183 176.300 0.182 0.000 1.203 96 M CA -0.578 54.799 55.300 0.129 0.000 0.841 96 M CB 1.623 34.233 32.600 0.017 0.000 1.685 96 M HN 0.654 nan 8.290 nan 0.000 0.492 97 R N 0.814 121.445 120.500 0.218 0.000 2.237 97 R HA 0.540 4.880 4.340 -0.000 0.000 0.195 97 R C 0.958 177.551 176.300 0.488 0.000 0.956 97 R CA 1.034 57.329 56.100 0.325 0.000 1.029 97 R CB 0.128 30.575 30.300 0.245 0.000 0.972 97 R HN 1.165 nan 8.270 nan 0.000 0.493 98 G N 0.483 109.473 108.800 0.317 0.000 2.479 98 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 98 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 98 G C -0.542 174.402 174.900 0.073 0.000 1.295 98 G CA -0.356 44.916 45.100 0.287 0.000 0.922 98 G HN 0.250 nan 8.290 nan 0.000 0.582 99 S N -1.539 114.101 115.700 -0.100 0.000 2.669 99 S HA 0.643 5.113 4.470 -0.000 0.000 0.270 99 S C 1.901 176.161 174.600 -0.567 0.000 1.225 99 S CA 1.023 58.977 58.200 -0.409 0.000 0.991 99 S CB 1.440 64.416 63.200 -0.373 0.000 0.987 99 S HN 2.390 nan 8.310 nan 0.000 0.552 100 T N -1.071 112.874 114.554 -1.014 0.000 2.803 100 T HA -0.158 4.191 4.350 -0.000 0.000 0.269 100 T C 1.240 175.779 174.700 -0.269 0.000 1.052 100 T CA 1.658 63.216 62.100 -0.903 0.000 1.136 100 T CB -0.845 67.428 68.868 -0.993 0.000 0.864 100 T HN 0.739 nan 8.240 nan 0.000 0.467 101 E N 0.869 120.882 120.200 -0.311 0.000 2.150 101 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 101 E C 2.078 178.527 176.600 -0.252 0.000 0.985 101 E CA 1.108 57.372 56.400 -0.226 0.000 0.814 101 E CB -0.073 29.480 29.700 -0.244 0.000 0.752 101 E HN 0.561 nan 8.360 nan 0.000 0.466 102 D N 0.178 120.413 120.400 -0.275 0.000 2.084 102 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 102 D C 1.656 177.464 176.300 -0.820 0.000 0.990 102 D CA 1.117 54.785 54.000 -0.554 0.000 0.826 102 D CB -0.246 40.279 40.800 -0.458 0.000 0.971 102 D HN 0.154 nan 8.370 nan 0.000 0.453 103 F N 1.268 121.103 119.950 -0.191 0.000 2.163 103 F HA -0.071 4.456 4.527 -0.000 0.000 0.297 103 F C 2.185 178.072 175.800 0.144 0.000 1.094 103 F CA 0.703 58.772 58.000 0.115 0.000 1.290 103 F CB -0.169 39.111 39.000 0.468 0.000 1.017 103 F HN -0.178 nan 8.300 nan 0.000 0.483 104 D N -0.107 120.429 120.400 0.228 0.000 2.144 104 D HA -0.166 4.473 4.640 -0.000 0.000 0.199 104 D C 2.202 178.551 176.300 0.081 0.000 0.984 104 D CA 0.907 55.007 54.000 0.166 0.000 0.834 104 D CB -0.416 40.445 40.800 0.101 0.000 0.955 104 D HN 0.185 nan 8.370 nan 0.000 0.465 105 R N -0.430 120.030 120.500 -0.068 0.000 2.092 105 R HA -0.158 4.182 4.340 -0.000 0.000 0.231 105 R C 1.934 178.288 176.300 0.091 0.000 1.119 105 R CA 0.980 57.024 56.100 -0.093 0.000 0.970 105 R CB -0.203 29.913 30.300 -0.307 0.000 0.864 105 R HN 0.145 nan 8.270 nan 0.000 0.440 106 Y N 0.274 120.629 120.300 0.093 0.000 2.181 106 Y HA -0.074 4.475 4.550 -0.000 0.000 0.288 106 Y C 2.426 178.445 175.900 0.199 0.000 1.146 106 Y CA 0.717 58.876 58.100 0.099 0.000 1.164 106 Y CB -0.978 37.453 38.460 -0.049 0.000 0.982 106 Y HN 0.215 nan 8.280 nan 0.000 0.515 107 A N 0.101 123.177 122.820 0.426 0.000 1.877 107 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 107 A C 2.527 180.276 177.584 0.274 0.000 1.186 107 A CA 2.014 54.279 52.037 0.381 0.000 0.620 107 A CB -1.212 17.990 19.000 0.337 0.000 0.822 107 A HN 0.373 nan 8.150 nan 0.000 0.443 108 A N -1.035 121.914 122.820 0.216 0.000 1.933 108 A HA 0.035 4.354 4.320 -0.000 0.000 0.218 108 A C 2.206 179.913 177.584 0.205 0.000 1.175 108 A CA 1.765 53.904 52.037 0.170 0.000 0.628 108 A CB -0.709 18.360 19.000 0.115 0.000 0.814 108 A HN 0.404 nan 8.150 nan 0.000 0.444 109 V N 0.197 120.270 119.914 0.266 0.000 2.788 109 V HA -0.113 4.007 4.120 -0.000 0.000 0.251 109 V C 2.747 179.044 176.094 0.338 0.000 1.068 109 V CA 2.182 64.694 62.300 0.353 0.000 1.090 109 V CB -0.344 31.761 31.823 0.471 0.000 0.710 109 V HN 0.849 nan 8.190 nan 0.000 0.467 110 T N -3.478 111.235 114.554 0.266 0.000 3.057 110 T HA 0.230 4.580 4.350 -0.000 0.000 0.254 110 T C 1.599 176.402 174.700 0.171 0.000 1.094 110 T CA 0.917 63.127 62.100 0.183 0.000 1.088 110 T CB 0.566 69.557 68.868 0.205 0.000 0.934 110 T HN 0.871 nan 8.240 nan 0.000 0.497 111 G N 1.325 110.238 108.800 0.189 0.000 2.159 111 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.256 111 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.256 111 G C -0.274 174.720 174.900 0.156 0.000 0.977 111 G CA 0.146 45.336 45.100 0.150 0.000 0.652 111 G HN 0.764 nan 8.290 nan 0.000 0.531 112 D N -0.099 120.432 120.400 0.219 0.000 2.471 112 D HA 0.519 5.159 4.640 -0.000 0.000 0.245 112 D C 1.250 177.686 176.300 0.226 0.000 1.116 112 D CA -0.740 53.383 54.000 0.205 0.000 0.853 112 D CB 0.847 41.804 40.800 0.262 0.000 1.123 112 D HN -0.009 nan 8.370 nan 0.000 0.540 113 E N 2.205 122.492 120.200 0.146 0.000 2.274 113 E HA -0.022 4.327 4.350 -0.000 0.000 0.194 113 E C 1.915 178.579 176.600 0.108 0.000 0.996 113 E CA 0.512 56.998 56.400 0.143 0.000 0.840 113 E CB -0.056 29.703 29.700 0.098 0.000 0.772 113 E HN 0.737 nan 8.360 nan 0.000 0.491 114 G N 0.446 109.249 108.800 0.005 0.000 2.517 114 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.222 114 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.222 114 G C 0.614 175.409 174.900 -0.175 0.000 1.109 114 G CA 0.533 45.551 45.100 -0.137 0.000 0.746 114 G HN 0.167 nan 8.290 nan 0.000 0.576 115 W N -0.435 120.996 121.300 0.218 0.000 1.998 115 W HA 0.456 5.116 4.660 0.000 0.000 0.441 115 W C 0.467 177.211 176.519 0.374 0.000 1.859 115 W CA 0.157 57.703 57.345 0.335 0.000 2.071 115 W CB 0.479 30.143 29.460 0.339 0.000 1.474 115 W HN 0.328 nan 8.180 nan 0.000 0.734 116 N N 0.038 119.243 118.700 0.841 0.000 4.227 116 N HA -0.217 4.522 4.740 -0.000 0.000 0.317 116 N C -0.050 175.700 175.510 0.401 0.000 2.222 116 N CA -0.096 53.253 53.050 0.498 0.000 2.762 116 N CB -1.458 37.221 38.487 0.321 0.000 0.349 116 N HN 0.809 nan 8.380 nan 0.000 0.549 117 W N 3.708 125.133 121.300 0.209 0.000 2.318 117 W HA -0.193 4.467 4.660 0.000 0.000 0.313 117 W C 0.858 177.381 176.519 0.006 0.000 1.221 117 W CA 2.497 59.889 57.345 0.078 0.000 1.266 117 W CB -0.166 29.343 29.460 0.081 0.000 1.150 117 W HN 0.706 nan 8.180 nan 0.000 0.496 118 D N 0.057 120.488 120.400 0.051 0.000 2.117 118 D HA -0.184 4.455 4.640 -0.000 0.000 0.197 118 D C 1.631 177.834 176.300 -0.163 0.000 0.987 118 D CA 1.317 55.268 54.000 -0.081 0.000 0.829 118 D CB -0.791 40.031 40.800 0.037 0.000 0.961 118 D HN 0.171 nan 8.370 nan 0.000 0.460 119 N N 0.140 118.794 118.700 -0.078 0.000 2.457 119 N HA -0.042 4.698 4.740 -0.000 0.000 0.180 119 N C 1.548 176.968 175.510 -0.150 0.000 1.050 119 N CA 0.075 53.066 53.050 -0.099 0.000 0.906 119 N CB 0.230 38.703 38.487 -0.024 0.000 0.968 119 N HN 0.169 nan 8.380 nan 0.000 0.445 120 I N 1.099 121.573 120.570 -0.159 0.000 3.226 120 I HA -0.022 4.147 4.170 -0.000 0.000 0.277 120 I C 1.788 177.717 176.117 -0.313 0.000 1.243 120 I CA 0.502 61.729 61.300 -0.122 0.000 1.459 120 I CB 0.052 37.949 38.000 -0.171 0.000 1.093 120 I HN -0.104 nan 8.210 nan 0.000 0.453 121 Q N 0.554 120.065 119.800 -0.482 0.000 2.170 121 Q HA -0.258 4.082 4.340 -0.000 0.000 0.203 121 Q C 2.048 177.841 176.000 -0.346 0.000 0.976 121 Q CA 1.784 57.300 55.803 -0.479 0.000 0.858 121 Q CB -0.586 27.872 28.738 -0.466 0.000 0.907 121 Q HN 0.755 nan 8.270 nan 0.000 0.433 122 Q N -0.786 118.756 119.800 -0.431 0.000 2.234 122 Q HA -0.153 4.187 4.340 -0.000 0.000 0.206 122 Q C 1.342 177.060 176.000 -0.471 0.000 0.980 122 Q CA 1.447 56.953 55.803 -0.494 0.000 0.869 122 Q CB -0.395 27.950 28.738 -0.655 0.000 0.912 122 Q HN 0.287 nan 8.270 nan 0.000 0.436 123 F N 0.620 120.501 119.950 -0.114 0.000 2.416 123 F HA 0.038 4.565 4.527 -0.000 0.000 0.296 123 F C 2.246 178.014 175.800 -0.053 0.000 1.099 123 F CA 0.013 57.974 58.000 -0.064 0.000 1.427 123 F CB -0.398 38.578 39.000 -0.041 0.000 1.079 123 F HN -0.118 nan 8.300 nan 0.000 0.536 124 V N 0.653 120.589 119.914 0.037 0.000 2.332 124 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 124 V C 2.428 178.525 176.094 0.006 0.000 1.055 124 V CA 1.887 64.186 62.300 -0.001 0.000 1.038 124 V CB -0.634 31.125 31.823 -0.107 0.000 0.651 124 V HN 0.272 nan 8.190 nan 0.000 0.450 125 R N -0.009 120.471 120.500 -0.033 0.000 2.092 125 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 125 R C 2.377 178.680 176.300 0.003 0.000 1.119 125 R CA 1.127 57.213 56.100 -0.025 0.000 0.970 125 R CB -0.302 29.959 30.300 -0.065 0.000 0.864 125 R HN 0.503 nan 8.270 nan 0.000 0.440 126 K N 0.381 120.805 120.400 0.041 0.000 2.155 126 K HA -0.084 4.235 4.320 -0.000 0.000 0.203 126 K C 1.810 178.455 176.600 0.076 0.000 1.052 126 K CA 0.924 57.259 56.287 0.080 0.000 0.948 126 K CB -0.125 32.484 32.500 0.182 0.000 0.728 126 K HN 0.238 nan 8.250 nan 0.000 0.448 127 N N 1.301 120.049 118.700 0.079 0.000 2.376 127 N HA -0.091 4.649 4.740 -0.000 0.000 0.177 127 N C -0.167 175.300 175.510 -0.071 0.000 1.024 127 N CA 0.517 53.589 53.050 0.035 0.000 0.893 127 N CB 0.596 39.105 38.487 0.036 0.000 0.980 127 N HN 0.336 nan 8.380 nan 0.000 0.439 128 E N 0.246 120.427 120.200 -0.032 0.000 2.408 128 E HA 0.393 4.743 4.350 -0.000 0.000 0.275 128 E C -1.060 175.531 176.600 -0.015 0.000 0.935 128 E CA -0.945 55.433 56.400 -0.035 0.000 0.775 128 E CB 1.776 31.486 29.700 0.017 0.000 1.277 128 E HN 0.120 nan 8.360 nan 0.000 0.455 129 M N 0.297 119.881 119.600 -0.026 0.000 2.386 129 M HA 0.524 5.004 4.480 -0.000 0.000 0.293 129 M C -1.424 174.861 176.300 -0.025 0.000 1.120 129 M CA -1.211 54.081 55.300 -0.013 0.000 0.909 129 M CB 2.151 34.734 32.600 -0.029 0.000 1.661 129 M HN 0.225 nan 8.290 nan 0.000 0.452 130 V N 3.856 123.763 119.914 -0.011 0.000 2.508 130 V HA 0.499 4.618 4.120 -0.000 0.000 0.281 130 V C 0.311 176.365 176.094 -0.066 0.000 1.041 130 V CA -0.456 61.803 62.300 -0.069 0.000 1.016 130 V CB 0.775 32.569 31.823 -0.048 0.000 0.984 130 V HN 0.755 nan 8.190 nan 0.000 0.478 131 V N 3.603 123.457 119.914 -0.100 0.000 3.126 131 V HA 0.765 4.884 4.120 -0.000 0.000 0.314 131 V C -2.790 173.235 176.094 -0.115 0.000 1.138 131 V CA -2.915 59.337 62.300 -0.081 0.000 1.034 131 V CB 1.786 33.575 31.823 -0.058 0.000 1.075 131 V HN 0.645 nan 8.190 nan 0.000 0.442 132 P HA 0.293 nan 4.420 nan 0.000 0.269 132 P C -2.637 174.600 177.300 -0.105 0.000 1.209 132 P CA -0.737 62.293 63.100 -0.116 0.000 0.776 132 P CB -0.257 31.394 31.700 -0.082 0.000 0.876 133 P HA 0.002 nan 4.420 nan 0.000 0.272 133 P C 0.327 177.637 177.300 0.016 0.000 1.223 133 P CA 0.016 63.083 63.100 -0.057 0.000 0.784 133 P CB 0.669 32.306 31.700 -0.105 0.000 0.923 134 A N 3.154 126.024 122.820 0.084 0.000 1.917 134 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 134 A C 1.532 179.183 177.584 0.112 0.000 1.182 134 A CA 2.230 54.326 52.037 0.100 0.000 0.633 134 A CB -1.318 17.773 19.000 0.152 0.000 0.819 134 A HN 0.658 nan 8.150 nan 0.000 0.448 135 D N -1.685 118.813 120.400 0.164 0.000 2.349 135 D HA -0.099 4.541 4.640 -0.000 0.000 0.224 135 D C 0.625 176.989 176.300 0.107 0.000 1.029 135 D CA 0.512 54.607 54.000 0.158 0.000 0.879 135 D CB -0.936 39.968 40.800 0.174 0.000 0.906 135 D HN 0.465 nan 8.370 nan 0.000 0.528 136 N N 1.014 119.748 118.700 0.057 0.000 2.741 136 N HA -0.201 4.539 4.740 -0.000 0.000 0.250 136 N C -0.262 175.236 175.510 -0.019 0.000 1.115 136 N CA 0.540 53.581 53.050 -0.015 0.000 0.724 136 N CB -1.306 37.181 38.487 0.001 0.000 1.090 136 N HN 0.718 nan 8.380 nan 0.000 0.558 137 H N -0.208 118.841 119.070 -0.036 0.000 2.730 137 H HA 0.130 4.686 4.556 -0.000 0.000 0.376 137 H C 0.239 175.528 175.328 -0.064 0.000 1.299 137 H CA 0.061 56.078 56.048 -0.052 0.000 1.447 137 H CB 0.442 30.162 29.762 -0.071 0.000 1.493 137 H HN 0.111 nan 8.280 nan 0.000 0.619 138 N N 0.896 119.597 118.700 0.003 0.000 2.420 138 N HA -0.039 4.700 4.740 -0.000 0.000 0.262 138 N C 0.430 175.899 175.510 -0.068 0.000 1.144 138 N CA 0.264 53.286 53.050 -0.048 0.000 0.952 138 N CB 0.561 39.054 38.487 0.011 0.000 1.081 138 N HN 0.746 nan 8.380 nan 0.000 0.480 139 T N -0.508 113.959 114.554 -0.145 0.000 3.122 139 T HA 0.070 4.420 4.350 -0.000 0.000 0.250 139 T C 0.815 175.558 174.700 0.071 0.000 1.067 139 T CA -0.520 61.506 62.100 -0.124 0.000 0.966 139 T CB -0.236 68.522 68.868 -0.184 0.000 1.002 139 T HN 0.335 nan 8.240 nan 0.000 0.542 140 S N 1.339 117.064 115.700 0.041 0.000 2.596 140 S HA 0.383 4.853 4.470 -0.000 0.000 0.298 140 S C 1.675 176.300 174.600 0.042 0.000 1.255 140 S CA 0.704 58.925 58.200 0.034 0.000 1.083 140 S CB -0.881 62.326 63.200 0.012 0.000 0.837 140 S HN 1.273 nan 8.310 nan 0.000 0.499 141 G N 4.167 113.001 108.800 0.056 0.000 2.148 141 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.254 141 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.254 141 G C 0.332 175.380 174.900 0.247 0.000 0.981 141 G CA 0.619 45.799 45.100 0.133 0.000 0.670 141 G HN 0.747 nan 8.290 nan 0.000 0.528 142 E N -1.266 119.050 120.200 0.195 0.000 2.460 142 E HA 0.412 4.762 4.350 -0.000 0.000 0.200 142 E C 0.785 177.652 176.600 0.445 0.000 1.011 142 E CA 0.544 57.038 56.400 0.157 0.000 0.912 142 E CB 0.387 29.797 29.700 -0.482 0.000 0.953 142 E HN 0.853 nan 8.360 nan 0.000 0.494 143 F N -1.969 118.037 119.950 0.093 0.000 2.831 143 F HA 0.539 5.065 4.527 -0.000 0.000 0.318 143 F C -1.474 174.403 175.800 0.129 0.000 1.174 143 F CA -1.506 56.567 58.000 0.122 0.000 0.918 143 F CB 1.118 40.141 39.000 0.039 0.000 1.364 143 F HN -0.367 nan 8.300 nan 0.000 0.475 144 I N 2.378 122.891 120.570 -0.095 0.000 2.390 144 I HA 0.312 4.482 4.170 -0.000 0.000 0.283 144 I C -1.806 174.147 176.117 -0.274 0.000 1.016 144 I CA -1.964 59.191 61.300 -0.241 0.000 1.151 144 I CB 1.694 39.675 38.000 -0.032 0.000 1.293 144 I HN 0.392 nan 8.210 nan 0.000 0.458 145 P HA -0.261 nan 4.420 nan 0.000 0.217 145 P C 1.489 178.798 177.300 0.015 0.000 1.151 145 P CA 1.311 64.263 63.100 -0.246 0.000 0.849 145 P CB 0.223 31.769 31.700 -0.257 0.000 0.787 146 A N -0.248 122.548 122.820 -0.039 0.000 2.076 146 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 146 A C 2.067 179.647 177.584 -0.007 0.000 1.160 146 A CA 2.019 54.047 52.037 -0.015 0.000 0.653 146 A CB -1.454 17.527 19.000 -0.032 0.000 0.801 146 A HN 0.269 nan 8.150 nan 0.000 0.455 147 V N -4.257 115.651 119.914 -0.009 0.000 3.647 147 V HA 0.255 4.375 4.120 -0.000 0.000 0.279 147 V C 0.495 176.442 176.094 -0.246 0.000 1.314 147 V CA -0.180 62.058 62.300 -0.104 0.000 1.125 147 V CB -0.941 30.823 31.823 -0.097 0.000 0.907 147 V HN 0.510 nan 8.190 nan 0.000 0.434 148 H N 0.536 119.654 119.070 0.080 0.000 2.670 148 H HA 0.670 5.226 4.556 -0.000 0.000 0.361 148 H C 0.527 175.887 175.328 0.054 0.000 1.169 148 H CA 0.018 56.122 56.048 0.094 0.000 1.198 148 H CB 2.134 32.006 29.762 0.184 0.000 1.700 148 H HN 0.384 nan 8.280 nan 0.000 0.542 149 G N -0.463 108.439 108.800 0.170 0.000 2.569 149 G HA2 0.222 4.182 3.960 -0.000 0.000 0.249 149 G HA3 0.222 4.182 3.960 -0.000 0.000 0.249 149 G C 0.758 175.708 174.900 0.083 0.000 1.216 149 G CA 0.166 45.316 45.100 0.083 0.000 0.845 149 G HN 0.681 nan 8.290 nan 0.000 0.568 150 T N -2.631 111.949 114.554 0.043 0.000 2.975 150 T HA 0.169 4.519 4.350 -0.000 0.000 0.261 150 T C 1.005 175.708 174.700 0.005 0.000 0.984 150 T CA -0.112 62.007 62.100 0.032 0.000 0.911 150 T CB 0.427 69.312 68.868 0.028 0.000 1.127 150 T HN 0.347 nan 8.240 nan 0.000 0.514 151 N N 0.712 119.409 118.700 -0.005 0.000 2.118 151 N HA 0.288 5.028 4.740 -0.000 0.000 0.226 151 N C 0.956 176.446 175.510 -0.034 0.000 1.305 151 N CA 0.140 53.178 53.050 -0.020 0.000 0.890 151 N CB 1.176 39.653 38.487 -0.018 0.000 1.118 151 N HN 0.516 nan 8.380 nan 0.000 0.511 152 G N -0.002 108.778 108.800 -0.034 0.000 2.553 152 G HA2 0.239 4.199 3.960 -0.000 0.000 0.278 152 G HA3 0.239 4.199 3.960 -0.000 0.000 0.278 152 G C 0.805 175.636 174.900 -0.116 0.000 1.349 152 G CA -0.105 44.962 45.100 -0.054 0.000 1.037 152 G HN 0.056 nan 8.290 nan 0.000 0.508 153 S N -1.406 114.176 115.700 -0.197 0.000 2.362 153 S HA -0.024 4.446 4.470 -0.000 0.000 0.221 153 S C 1.175 175.592 174.600 -0.305 0.000 1.032 153 S CA 0.232 58.212 58.200 -0.366 0.000 0.973 153 S CB -0.054 62.622 63.200 -0.873 0.000 0.849 153 S HN 0.287 nan 8.310 nan 0.000 0.465 154 V N 3.257 123.012 119.914 -0.265 0.000 2.508 154 V HA 0.184 4.304 4.120 -0.000 0.000 0.281 154 V C 0.167 176.207 176.094 -0.090 0.000 1.041 154 V CA -0.329 61.873 62.300 -0.163 0.000 1.016 154 V CB 0.977 32.672 31.823 -0.213 0.000 0.984 154 V HN 0.228 nan 8.190 nan 0.000 0.478 155 S N 6.549 122.218 115.700 -0.052 0.000 2.488 155 S HA 0.503 4.973 4.470 -0.000 0.000 0.278 155 S C -0.079 174.509 174.600 -0.020 0.000 1.259 155 S CA -0.283 57.896 58.200 -0.035 0.000 1.061 155 S CB 0.026 63.211 63.200 -0.023 0.000 0.910 155 S HN 0.645 nan 8.310 nan 0.000 0.491 156 I N 0.517 121.059 120.570 -0.046 0.000 2.740 156 I HA 0.914 5.084 4.170 -0.000 0.000 0.303 156 I C -0.219 175.820 176.117 -0.130 0.000 1.044 156 I CA -0.709 60.552 61.300 -0.064 0.000 1.064 156 I CB 2.384 40.347 38.000 -0.062 0.000 1.249 156 I HN 0.591 nan 8.210 nan 0.000 0.433 157 S N 3.843 119.461 115.700 -0.137 0.000 2.615 157 S HA 0.662 5.132 4.470 -0.000 0.000 0.269 157 S C -0.829 173.660 174.600 -0.185 0.000 1.161 157 S CA -1.003 57.074 58.200 -0.204 0.000 0.817 157 S CB 1.248 64.371 63.200 -0.129 0.000 1.131 157 S HN 0.672 nan 8.310 nan 0.000 0.467 158 L N 1.474 122.550 121.223 -0.246 0.000 2.472 158 L HA 0.424 4.764 4.340 -0.000 0.000 0.260 158 L C -2.273 174.638 176.870 0.068 0.000 1.209 158 L CA -1.530 53.236 54.840 -0.123 0.000 0.817 158 L CB -0.264 41.649 42.059 -0.243 0.000 1.106 158 L HN 0.492 nan 8.230 nan 0.000 0.479 159 P HA 0.003 nan 4.420 nan 0.000 0.262 159 P C 0.372 177.825 177.300 0.254 0.000 1.182 159 P CA 0.319 63.554 63.100 0.224 0.000 0.761 159 P CB 0.534 32.406 31.700 0.285 0.000 0.795 160 G N 1.707 110.647 108.800 0.233 0.000 2.880 160 G HA2 0.059 4.019 3.960 -0.000 0.000 0.209 160 G HA3 0.059 4.019 3.960 -0.000 0.000 0.209 160 G C -0.394 174.708 174.900 0.336 0.000 1.157 160 G CA 0.345 45.596 45.100 0.252 0.000 0.779 160 G HN 0.448 nan 8.290 nan 0.000 0.539 161 F N 1.534 121.581 119.950 0.163 0.000 2.588 161 F HA 0.508 5.034 4.527 -0.000 0.000 0.314 161 F C -2.412 173.509 175.800 0.201 0.000 1.134 161 F CA -2.519 55.586 58.000 0.175 0.000 0.961 161 F CB 2.855 41.967 39.000 0.186 0.000 1.239 161 F HN -0.167 nan 8.300 nan 0.000 0.448 162 P HA 0.367 nan 4.420 nan 0.000 0.276 162 P C -1.052 176.219 177.300 -0.047 0.000 1.261 162 P CA -0.169 62.841 63.100 -0.151 0.000 0.800 162 P CB 1.748 33.298 31.700 -0.249 0.000 1.066 163 T N -4.192 110.383 114.554 0.036 0.000 2.883 163 T HA 0.453 4.803 4.350 -0.000 0.000 0.301 163 T C -2.264 172.425 174.700 -0.018 0.000 1.158 163 T CA -1.870 60.248 62.100 0.030 0.000 1.007 163 T CB 1.469 70.369 68.868 0.054 0.000 1.186 163 T HN 0.154 nan 8.240 nan 0.000 0.499 164 P HA 0.072 nan 4.420 nan 0.000 0.234 164 P C 1.277 178.421 177.300 -0.259 0.000 1.167 164 P CA 0.172 63.221 63.100 -0.085 0.000 0.763 164 P CB 0.009 31.750 31.700 0.069 0.000 0.835 165 L N 0.193 121.339 121.223 -0.129 0.000 2.240 165 L HA -0.040 4.300 4.340 -0.000 0.000 0.211 165 L C 1.903 178.675 176.870 -0.164 0.000 1.106 165 L CA 1.625 56.410 54.840 -0.091 0.000 0.793 165 L CB -1.336 40.816 42.059 0.155 0.000 0.927 165 L HN -0.111 nan 8.230 nan 0.000 0.446 166 D N -0.048 120.290 120.400 -0.103 0.000 2.092 166 D HA -0.191 4.449 4.640 -0.000 0.000 0.193 166 D C 1.684 177.836 176.300 -0.247 0.000 0.994 166 D CA 1.403 55.347 54.000 -0.093 0.000 0.828 166 D CB -0.141 40.690 40.800 0.051 0.000 0.963 166 D HN 0.242 nan 8.370 nan 0.000 0.450 167 D N 0.151 120.415 120.400 -0.228 0.000 2.178 167 D HA -0.060 4.580 4.640 -0.000 0.000 0.202 167 D C 2.164 178.213 176.300 -0.418 0.000 0.974 167 D CA 0.550 54.391 54.000 -0.265 0.000 0.841 167 D CB -0.077 40.598 40.800 -0.209 0.000 0.953 167 D HN 0.214 nan 8.370 nan 0.000 0.478 168 R N 0.256 120.387 120.500 -0.615 0.000 2.092 168 R HA -0.027 4.313 4.340 -0.000 0.000 0.231 168 R C 2.348 178.168 176.300 -0.799 0.000 1.119 168 R CA 0.519 56.019 56.100 -0.999 0.000 0.970 168 R CB -0.327 28.898 30.300 -1.792 0.000 0.864 168 R HN 0.092 nan 8.270 nan 0.000 0.440 169 V N 1.866 121.488 119.914 -0.486 0.000 2.261 169 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 169 V C 2.393 178.242 176.094 -0.409 0.000 1.047 169 V CA 1.713 63.810 62.300 -0.339 0.000 1.015 169 V CB -0.487 31.008 31.823 -0.546 0.000 0.642 169 V HN 0.257 nan 8.190 nan 0.000 0.446 170 L N 0.218 121.156 121.223 -0.475 0.000 2.042 170 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 170 L C 2.703 179.422 176.870 -0.253 0.000 1.076 170 L CA 1.755 56.397 54.840 -0.331 0.000 0.749 170 L CB -0.839 41.056 42.059 -0.273 0.000 0.893 170 L HN 0.384 nan 8.230 nan 0.000 0.432 171 A N -0.646 121.991 122.820 -0.305 0.000 1.969 171 A HA -0.164 4.155 4.320 -0.000 0.000 0.218 171 A C 2.335 179.768 177.584 -0.252 0.000 1.169 171 A CA 2.101 53.975 52.037 -0.270 0.000 0.635 171 A CB -0.770 18.036 19.000 -0.324 0.000 0.810 171 A HN 0.405 nan 8.150 nan 0.000 0.445 172 T N 0.242 114.599 114.554 -0.328 0.000 2.867 172 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 172 T C 2.131 176.762 174.700 -0.115 0.000 1.057 172 T CA 1.945 63.851 62.100 -0.323 0.000 1.136 172 T CB -0.653 67.788 68.868 -0.711 0.000 0.874 172 T HN 0.827 nan 8.240 nan 0.000 0.466 173 T N 0.912 115.434 114.554 -0.054 0.000 2.929 173 T HA -0.119 4.231 4.350 -0.000 0.000 0.271 173 T C 1.816 176.577 174.700 0.102 0.000 1.085 173 T CA 0.955 63.117 62.100 0.104 0.000 1.125 173 T CB -0.298 68.672 68.868 0.169 0.000 0.874 173 T HN 0.493 nan 8.240 nan 0.000 0.494 174 Q N 0.477 120.286 119.800 0.015 0.000 2.200 174 Q HA 0.145 4.485 4.340 -0.000 0.000 0.197 174 Q C 2.428 178.439 176.000 0.018 0.000 0.953 174 Q CA 0.838 56.651 55.803 0.018 0.000 0.851 174 Q CB -0.129 28.593 28.738 -0.026 0.000 0.938 174 Q HN 0.631 nan 8.270 nan 0.000 0.488 175 E N 1.409 121.598 120.200 -0.020 0.000 2.085 175 E HA -0.192 4.157 4.350 -0.000 0.000 0.194 175 E C 0.543 177.168 176.600 0.041 0.000 0.994 175 E CA 0.969 57.362 56.400 -0.012 0.000 0.801 175 E CB 0.258 29.921 29.700 -0.061 0.000 0.743 175 E HN 0.307 nan 8.360 nan 0.000 0.453 176 Q N 0.095 119.948 119.800 0.088 0.000 2.462 176 Q HA 0.110 4.450 4.340 -0.000 0.000 0.395 176 Q C 0.603 176.733 176.000 0.216 0.000 0.911 176 Q CA -0.119 55.791 55.803 0.177 0.000 1.112 176 Q CB 1.270 30.194 28.738 0.311 0.000 1.350 176 Q HN 0.176 nan 8.270 nan 0.000 0.407 177 S N -1.159 114.644 115.700 0.172 0.000 2.489 177 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 177 S C 1.246 175.999 174.600 0.256 0.000 0.995 177 S CA 0.497 58.837 58.200 0.232 0.000 0.934 177 S CB 0.206 63.527 63.200 0.203 0.000 0.771 177 S HN 0.297 nan 8.310 nan 0.000 0.522 178 E N 1.965 122.258 120.200 0.155 0.000 2.038 178 E HA -0.111 4.238 4.350 -0.000 0.000 0.195 178 E C 2.046 178.733 176.600 0.146 0.000 1.000 178 E CA 1.678 58.153 56.400 0.125 0.000 0.803 178 E CB -0.267 29.471 29.700 0.064 0.000 0.750 178 E HN 0.800 nan 8.360 nan 0.000 0.448 179 E N -1.132 119.059 120.200 -0.015 0.000 2.122 179 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 179 E C -0.034 176.327 176.600 -0.400 0.000 0.977 179 E CA 0.438 56.649 56.400 -0.315 0.000 0.820 179 E CB 0.237 29.511 29.700 -0.710 0.000 0.770 179 E HN 0.178 nan 8.360 nan 0.000 0.462 180 F N 1.020 121.048 119.950 0.130 0.000 2.831 180 F HA 0.243 4.770 4.527 -0.000 0.000 0.355 180 F C -0.488 175.273 175.800 -0.066 0.000 1.341 180 F CA -1.127 56.873 58.000 0.001 0.000 1.201 180 F CB -0.025 39.083 39.000 0.180 0.000 1.058 180 F HN -0.077 nan 8.300 nan 0.000 0.514 181 F N -1.142 118.952 119.950 0.241 0.000 2.444 181 F HA 0.383 4.910 4.527 -0.000 0.000 0.331 181 F C 0.038 176.001 175.800 0.272 0.000 1.167 181 F CA -1.585 56.548 58.000 0.223 0.000 1.262 181 F CB 0.179 39.267 39.000 0.147 0.000 1.196 181 F HN 0.007 nan 8.300 nan 0.000 0.583 182 F N 2.708 122.830 119.950 0.287 0.000 2.429 182 F HA 0.272 4.799 4.527 -0.000 0.000 0.348 182 F C -0.161 175.823 175.800 0.307 0.000 1.109 182 F CA -0.542 57.589 58.000 0.218 0.000 1.232 182 F CB 0.361 39.480 39.000 0.199 0.000 1.157 182 F HN 0.635 nan 8.300 nan 0.000 0.564 183 N N 7.303 125.693 118.700 -0.517 0.000 2.407 183 N HA 0.370 5.110 4.740 -0.000 0.000 0.277 183 N C -2.120 172.988 175.510 -0.670 0.000 0.995 183 N CA -2.565 50.285 53.050 -0.334 0.000 0.903 183 N CB 1.922 40.353 38.487 -0.094 0.000 1.218 183 N HN 0.275 nan 8.380 nan 0.000 0.487 184 P HA 0.018 nan 4.420 nan 0.000 0.221 184 P C -0.644 176.695 177.300 0.064 0.000 1.150 184 P CA 1.063 64.129 63.100 -0.057 0.000 0.800 184 P CB 0.551 32.337 31.700 0.144 0.000 0.787 185 D N -1.604 118.829 120.400 0.055 0.000 2.711 185 D HA 0.122 4.762 4.640 -0.000 0.000 0.204 185 D C 0.748 177.106 176.300 0.098 0.000 1.257 185 D CA -0.344 53.749 54.000 0.156 0.000 0.808 185 D CB 0.787 41.724 40.800 0.228 0.000 1.780 185 D HN -0.262 nan 8.370 nan 0.000 0.537 186 M N 1.255 120.905 119.600 0.083 0.000 2.460 186 M HA 0.025 4.505 4.480 -0.000 0.000 0.263 186 M C 1.907 178.240 176.300 0.055 0.000 1.071 186 M CA 1.294 56.594 55.300 0.000 0.000 1.096 186 M CB 0.088 32.629 32.600 -0.098 0.000 1.408 186 M HN 0.479 nan 8.290 nan 0.000 0.463 187 G N 0.195 109.059 108.800 0.106 0.000 2.559 187 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.216 187 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.216 187 G C 1.460 176.456 174.900 0.159 0.000 1.126 187 G CA 1.269 46.402 45.100 0.055 0.000 0.778 187 G HN 0.556 nan 8.290 nan 0.000 0.543 188 T N -2.587 112.044 114.554 0.128 0.000 3.051 188 T HA 0.272 4.622 4.350 -0.000 0.000 0.269 188 T C 2.053 176.858 174.700 0.175 0.000 1.127 188 T CA 1.066 63.259 62.100 0.154 0.000 1.107 188 T CB -0.143 68.775 68.868 0.083 0.000 0.898 188 T HN 1.257 nan 8.240 nan 0.000 0.517 189 G N 0.826 109.621 108.800 -0.008 0.000 2.175 189 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.244 189 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.244 189 G C 0.009 174.601 174.900 -0.514 0.000 0.982 189 G CA 0.092 44.793 45.100 -0.664 0.000 0.641 189 G HN 0.712 nan 8.290 nan 0.000 0.527 190 H N 0.775 119.690 119.070 -0.259 0.000 2.697 190 H HA 0.248 4.803 4.556 -0.000 0.000 0.270 190 H C -1.636 173.608 175.328 -0.141 0.000 1.188 190 H CA -0.879 55.062 56.048 -0.178 0.000 1.322 190 H CB 2.038 31.734 29.762 -0.111 0.000 1.405 190 H HN 0.225 nan 8.280 nan 0.000 0.502 191 P HA -0.058 nan 4.420 nan 0.000 0.225 191 P C 0.654 177.898 177.300 -0.092 0.000 1.156 191 P CA 0.326 63.260 63.100 -0.277 0.000 0.787 191 P CB 0.927 32.366 31.700 -0.435 0.000 0.802 192 L N -0.048 121.209 121.223 0.057 0.000 2.456 192 L HA 0.404 4.744 4.340 -0.000 0.000 0.272 192 L C 1.333 178.271 176.870 0.114 0.000 1.189 192 L CA 1.007 55.938 54.840 0.152 0.000 0.846 192 L CB -0.328 41.879 42.059 0.248 0.000 1.111 192 L HN 0.223 nan 8.230 nan 0.000 0.475 193 G N 3.186 111.875 108.800 -0.184 0.000 2.483 193 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.521 193 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.521 193 G C -1.041 173.781 174.900 -0.130 0.000 1.278 193 G CA -0.946 43.797 45.100 -0.594 0.000 0.965 193 G HN 0.474 nan 8.290 nan 0.000 0.504 194 I N 1.887 122.400 120.570 -0.095 0.000 2.339 194 I HA 0.511 4.680 4.170 -0.000 0.000 0.290 194 I C 0.617 176.757 176.117 0.040 0.000 0.994 194 I CA -0.383 60.973 61.300 0.093 0.000 1.191 194 I CB 1.424 39.524 38.000 0.167 0.000 1.343 194 I HN 0.795 nan 8.210 nan 0.000 0.458 195 S N 3.900 119.682 115.700 0.136 0.000 2.566 195 S HA 0.524 4.994 4.470 -0.000 0.000 0.298 195 S C -1.095 173.691 174.600 0.309 0.000 1.083 195 S CA -0.870 57.396 58.200 0.111 0.000 0.978 195 S CB 1.190 64.434 63.200 0.073 0.000 1.073 195 S HN 0.443 nan 8.310 nan 0.000 0.491 196 W N 2.207 123.667 121.300 0.268 0.000 2.264 196 W HA 0.301 4.961 4.660 -0.000 0.000 0.331 196 W C 0.763 177.307 176.519 0.042 0.000 1.364 196 W CA 0.360 57.742 57.345 0.062 0.000 1.253 196 W CB 0.270 29.804 29.460 0.123 0.000 1.215 196 W HN 0.658 nan 8.180 nan 0.000 0.561 197 S N 3.970 119.803 115.700 0.222 0.000 2.558 197 S HA 0.208 4.677 4.470 -0.000 0.000 0.288 197 S C -0.038 174.649 174.600 0.145 0.000 1.318 197 S CA -0.200 58.099 58.200 0.164 0.000 1.056 197 S CB 0.120 63.397 63.200 0.128 0.000 0.853 197 S HN 0.224 nan 8.310 nan 0.000 0.505 198 I N 1.857 122.473 120.570 0.077 0.000 2.509 198 I HA 0.683 4.853 4.170 -0.000 0.000 0.293 198 I C -0.029 176.097 176.117 0.015 0.000 1.020 198 I CA -0.667 60.631 61.300 -0.002 0.000 1.088 198 I CB 1.859 39.825 38.000 -0.057 0.000 1.267 198 I HN 0.648 nan 8.210 nan 0.000 0.430 199 A N 2.944 125.769 122.820 0.008 0.000 2.475 199 A HA 0.589 4.909 4.320 -0.000 0.000 0.301 199 A C -0.219 177.390 177.584 0.042 0.000 1.059 199 A CA -0.625 51.433 52.037 0.035 0.000 0.710 199 A CB 1.582 20.616 19.000 0.056 0.000 1.288 199 A HN 0.724 nan 8.150 nan 0.000 0.408 200 S N 0.857 116.606 115.700 0.082 0.000 4.120 200 S HA 0.439 4.909 4.470 -0.000 0.000 0.215 200 S C -0.295 174.377 174.600 0.120 0.000 1.347 200 S CA -0.279 57.990 58.200 0.115 0.000 0.889 200 S CB -1.025 62.301 63.200 0.210 0.000 1.585 200 S HN 0.896 nan 8.310 nan 0.000 0.447 201 V N 1.628 121.589 119.914 0.079 0.000 2.686 201 V HA 0.859 4.978 4.120 -0.000 0.000 0.306 201 V C 0.391 176.515 176.094 0.050 0.000 1.065 201 V CA -0.483 61.870 62.300 0.087 0.000 0.894 201 V CB 2.041 33.923 31.823 0.098 0.000 1.004 201 V HN 0.801 nan 8.190 nan 0.000 0.424 202 G N 1.749 110.580 108.800 0.053 0.000 2.687 202 G HA2 0.518 4.478 3.960 -0.000 0.000 0.301 202 G HA3 0.518 4.478 3.960 -0.000 0.000 0.301 202 G C -0.169 174.745 174.900 0.023 0.000 1.416 202 G CA -0.580 44.531 45.100 0.018 0.000 1.005 202 G HN 0.889 nan 8.290 nan 0.000 0.509 203 N N 0.274 118.976 118.700 0.003 0.000 2.740 203 N HA -0.132 4.608 4.740 -0.000 0.000 0.248 203 N C 1.553 177.066 175.510 0.005 0.000 1.062 203 N CA 2.325 55.366 53.050 -0.015 0.000 0.704 203 N CB -0.996 37.465 38.487 -0.043 0.000 0.968 203 N HN 2.242 nan 8.380 nan 0.000 0.547 204 G N -1.407 107.438 108.800 0.076 0.000 2.175 204 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.265 204 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.265 204 G C -0.155 174.962 174.900 0.361 0.000 0.979 204 G CA 1.116 46.330 45.100 0.189 0.000 0.663 204 G HN 1.042 nan 8.290 nan 0.000 0.533 205 Q N -1.362 118.586 119.800 0.246 0.000 2.484 205 Q HA 0.680 5.020 4.340 -0.000 0.000 0.285 205 Q C 0.107 176.226 176.000 0.198 0.000 1.097 205 Q CA -1.215 54.775 55.803 0.312 0.000 0.802 205 Q CB 1.569 30.517 28.738 0.351 0.000 1.444 205 Q HN 0.248 nan 8.270 nan 0.000 0.429 206 R N 0.905 121.520 120.500 0.191 0.000 2.494 206 R HA -0.004 4.335 4.340 -0.000 0.000 0.291 206 R C -0.833 175.553 176.300 0.144 0.000 0.953 206 R CA 0.561 56.760 56.100 0.165 0.000 1.098 206 R CB 0.377 30.769 30.300 0.153 0.000 0.911 206 R HN 0.625 nan 8.270 nan 0.000 0.407 207 S N 2.903 118.693 115.700 0.150 0.000 2.461 207 S HA 0.269 4.739 4.470 -0.000 0.000 0.322 207 S C -0.477 174.240 174.600 0.196 0.000 1.063 207 S CA -0.487 57.792 58.200 0.131 0.000 1.120 207 S CB 0.692 63.943 63.200 0.084 0.000 0.968 207 S HN 0.702 nan 8.310 nan 0.000 0.467 208 S N 3.130 118.938 115.700 0.181 0.000 2.766 208 S HA 0.488 4.958 4.470 -0.000 0.000 0.307 208 S C 1.342 176.114 174.600 0.286 0.000 1.121 208 S CA 0.038 58.363 58.200 0.209 0.000 0.980 208 S CB 1.019 64.282 63.200 0.105 0.000 1.159 208 S HN 0.824 nan 8.310 nan 0.000 0.546 209 S N 0.575 116.464 115.700 0.314 0.000 2.453 209 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 209 S C 1.744 176.529 174.600 0.309 0.000 1.005 209 S CA 1.196 59.656 58.200 0.433 0.000 0.949 209 S CB -1.154 62.237 63.200 0.318 0.000 0.774 209 S HN 0.876 nan 8.310 nan 0.000 0.510 210 S N 2.274 118.079 115.700 0.175 0.000 2.362 210 S HA -0.105 4.365 4.470 -0.000 0.000 0.221 210 S C 2.280 176.950 174.600 0.117 0.000 1.032 210 S CA 1.247 59.525 58.200 0.131 0.000 0.973 210 S CB -1.695 61.552 63.200 0.078 0.000 0.849 210 S HN 0.827 nan 8.310 nan 0.000 0.465 211 T N 1.234 115.848 114.554 0.100 0.000 2.720 211 T HA -0.008 4.341 4.350 -0.000 0.000 0.268 211 T C 1.911 176.636 174.700 0.041 0.000 1.037 211 T CA 1.383 63.523 62.100 0.068 0.000 1.144 211 T CB -0.785 68.121 68.868 0.064 0.000 0.864 211 T HN 0.503 nan 8.240 nan 0.000 0.444 212 A N -0.512 122.337 122.820 0.049 0.000 1.943 212 A HA 0.326 4.646 4.320 -0.000 0.000 0.213 212 A C 1.923 179.364 177.584 -0.238 0.000 1.181 212 A CA 0.607 52.576 52.037 -0.114 0.000 0.653 212 A CB -0.449 18.466 19.000 -0.141 0.000 0.833 212 A HN 0.630 nan 8.150 nan 0.000 0.451 213 Y N -1.304 119.029 120.300 0.055 0.000 2.472 213 Y HA 0.300 4.850 4.550 -0.000 0.000 0.288 213 Y C 2.095 178.020 175.900 0.040 0.000 1.154 213 Y CA 0.225 58.354 58.100 0.048 0.000 1.238 213 Y CB -0.032 38.469 38.460 0.069 0.000 1.287 213 Y HN 0.047 nan 8.280 nan 0.000 0.524 214 L N -0.214 121.133 121.223 0.206 0.000 2.044 214 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 214 L C 2.411 179.332 176.870 0.085 0.000 1.075 214 L CA 1.287 56.202 54.840 0.125 0.000 0.747 214 L CB -0.387 41.730 42.059 0.096 0.000 0.903 214 L HN 0.202 nan 8.230 nan 0.000 0.435 215 R N 0.117 120.660 120.500 0.071 0.000 2.080 215 R HA -0.156 4.183 4.340 -0.000 0.000 0.236 215 R C -0.285 176.036 176.300 0.036 0.000 1.137 215 R CA 1.785 57.914 56.100 0.048 0.000 0.943 215 R CB -1.573 28.750 30.300 0.039 0.000 0.846 215 R HN 0.345 nan 8.270 nan 0.000 0.431 216 P HA -0.156 nan 4.420 nan 0.000 0.218 216 P C 0.522 177.840 177.300 0.031 0.000 1.146 216 P CA 1.656 64.765 63.100 0.015 0.000 0.813 216 P CB 0.025 31.719 31.700 -0.009 0.000 0.778 217 A N -0.082 122.768 122.820 0.049 0.000 2.275 217 A HA -0.057 4.263 4.320 -0.000 0.000 0.212 217 A C 2.287 179.904 177.584 0.055 0.000 1.201 217 A CA 0.410 52.482 52.037 0.058 0.000 0.843 217 A CB -0.858 18.191 19.000 0.081 0.000 0.873 217 A HN 0.352 nan 8.150 nan 0.000 0.492 218 Q N 0.210 120.039 119.800 0.049 0.000 2.123 218 Q HA -0.128 4.212 4.340 -0.000 0.000 0.199 218 Q C 1.649 177.675 176.000 0.044 0.000 0.966 218 Q CA 1.812 57.643 55.803 0.047 0.000 0.845 218 Q CB -0.774 27.989 28.738 0.041 0.000 0.907 218 Q HN 0.516 nan 8.270 nan 0.000 0.439 219 S N 0.218 115.941 115.700 0.038 0.000 2.528 219 S HA -0.072 4.398 4.470 -0.000 0.000 0.244 219 S C 0.549 175.174 174.600 0.042 0.000 0.982 219 S CA 0.211 58.432 58.200 0.036 0.000 0.953 219 S CB -0.320 62.897 63.200 0.029 0.000 0.754 219 S HN 0.284 nan 8.310 nan 0.000 0.529 220 R N 2.494 123.024 120.500 0.050 0.000 2.347 220 R HA 0.213 4.553 4.340 -0.000 0.000 0.304 220 R C -1.475 174.864 176.300 0.064 0.000 1.072 220 R CA -1.625 54.508 56.100 0.055 0.000 0.980 220 R CB 0.340 30.677 30.300 0.062 0.000 0.986 220 R HN 0.198 nan 8.270 nan 0.000 0.448 221 P HA -0.130 nan 4.420 nan 0.000 0.226 221 P C -0.099 177.253 177.300 0.086 0.000 1.153 221 P CA 1.041 64.179 63.100 0.063 0.000 0.777 221 P CB 0.243 31.969 31.700 0.043 0.000 0.794 222 N N -0.378 118.377 118.700 0.092 0.000 2.322 222 N HA 0.037 4.777 4.740 -0.000 0.000 0.194 222 N C 0.147 175.770 175.510 0.189 0.000 1.126 222 N CA -0.067 53.059 53.050 0.126 0.000 0.845 222 N CB -0.397 38.150 38.487 0.101 0.000 0.976 222 N HN 0.169 nan 8.380 nan 0.000 0.475 223 L N 0.084 121.403 121.223 0.159 0.000 2.341 223 L HA 0.594 4.934 4.340 -0.000 0.000 0.278 223 L C -0.836 176.117 176.870 0.138 0.000 1.005 223 L CA -0.540 54.385 54.840 0.143 0.000 0.818 223 L CB 2.055 44.170 42.059 0.092 0.000 1.259 223 L HN -0.055 nan 8.230 nan 0.000 0.418 224 S N 3.420 119.176 115.700 0.094 0.000 2.557 224 S HA 0.821 5.291 4.470 -0.000 0.000 0.291 224 S C -1.439 173.118 174.600 -0.071 0.000 1.116 224 S CA -0.472 57.750 58.200 0.037 0.000 0.992 224 S CB 1.357 64.605 63.200 0.080 0.000 1.028 224 S HN 0.407 nan 8.310 nan 0.000 0.484 225 V N 6.250 126.141 119.914 -0.038 0.000 2.407 225 V HA 0.528 4.648 4.120 -0.000 0.000 0.291 225 V C -0.673 175.386 176.094 -0.059 0.000 1.018 225 V CA -0.566 61.702 62.300 -0.055 0.000 0.842 225 V CB 1.310 33.123 31.823 -0.016 0.000 0.996 225 V HN 0.759 nan 8.190 nan 0.000 0.426 226 L N 6.293 127.453 121.223 -0.105 0.000 2.322 226 L HA 0.686 5.026 4.340 -0.000 0.000 0.281 226 L C -0.188 176.633 176.870 -0.081 0.000 1.014 226 L CA -0.563 54.219 54.840 -0.096 0.000 0.815 226 L CB 1.853 43.810 42.059 -0.170 0.000 1.247 226 L HN 0.656 nan 8.230 nan 0.000 0.421 227 I N -0.598 119.952 120.570 -0.034 0.000 3.076 227 I HA 0.491 4.661 4.170 -0.000 0.000 0.313 227 I C 0.131 176.248 176.117 -0.000 0.000 1.053 227 I CA -0.755 60.535 61.300 -0.016 0.000 1.048 227 I CB 1.277 39.279 38.000 0.002 0.000 1.264 227 I HN 0.703 nan 8.210 nan 0.000 0.498 228 N N 0.851 119.552 118.700 0.003 0.000 2.721 228 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 228 N C -0.574 174.980 175.510 0.072 0.000 1.072 228 N CA 0.694 53.756 53.050 0.021 0.000 0.710 228 N CB -0.986 37.513 38.487 0.020 0.000 0.993 228 N HN 0.866 nan 8.380 nan 0.000 0.547 229 A N 0.932 123.787 122.820 0.058 0.000 2.763 229 A HA 0.340 4.659 4.320 -0.000 0.000 0.325 229 A C -0.140 177.517 177.584 0.121 0.000 1.209 229 A CA -0.431 51.663 52.037 0.095 0.000 0.764 229 A CB 0.772 19.661 19.000 -0.185 0.000 1.120 229 A HN 0.320 nan 8.150 nan 0.000 0.463 230 Q N 2.261 122.196 119.800 0.225 0.000 2.314 230 Q HA 0.438 4.778 4.340 -0.000 0.000 0.257 230 Q C -0.774 175.360 176.000 0.223 0.000 0.975 230 Q CA -0.324 55.615 55.803 0.227 0.000 0.933 230 Q CB 0.917 29.816 28.738 0.268 0.000 1.195 230 Q HN 0.468 nan 8.270 nan 0.000 0.426 231 V N 4.658 124.673 119.914 0.167 0.000 2.485 231 V HA -0.013 4.107 4.120 -0.000 0.000 0.287 231 V C 1.336 177.474 176.094 0.072 0.000 1.022 231 V CA 0.940 63.329 62.300 0.149 0.000 1.067 231 V CB 0.656 32.541 31.823 0.103 0.000 0.967 231 V HN 1.036 nan 8.190 nan 0.000 0.479 232 T N 1.116 115.710 114.554 0.067 0.000 3.001 232 T HA 0.261 4.610 4.350 -0.000 0.000 0.251 232 T C 0.376 175.081 174.700 0.008 0.000 1.040 232 T CA -0.087 62.001 62.100 -0.020 0.000 0.985 232 T CB 0.302 69.156 68.868 -0.023 0.000 1.011 232 T HN 0.513 nan 8.240 nan 0.000 0.509 233 K N 0.877 121.309 120.400 0.052 0.000 2.570 233 K HA 0.445 4.765 4.320 -0.000 0.000 0.256 233 K C -1.725 174.937 176.600 0.104 0.000 0.939 233 K CA -0.736 55.591 56.287 0.067 0.000 0.833 233 K CB 1.847 34.388 32.500 0.068 0.000 1.318 233 K HN 0.150 nan 8.250 nan 0.000 0.433 234 L N 3.845 125.150 121.223 0.137 0.000 2.319 234 L HA 0.361 4.701 4.340 -0.000 0.000 0.280 234 L C -0.142 176.925 176.870 0.329 0.000 1.099 234 L CA -0.942 54.041 54.840 0.239 0.000 0.828 234 L CB 1.194 43.395 42.059 0.236 0.000 1.150 234 L HN 0.231 nan 8.230 nan 0.000 0.442 235 V N 2.645 122.669 119.914 0.183 0.000 2.427 235 V HA 0.147 4.267 4.120 -0.000 0.000 0.286 235 V C 0.248 176.121 176.094 -0.368 0.000 1.034 235 V CA -0.723 61.569 62.300 -0.013 0.000 0.893 235 V CB 1.734 33.546 31.823 -0.019 0.000 0.982 235 V HN 0.741 nan 8.190 nan 0.000 0.452 236 N N 3.212 121.503 118.700 -0.682 0.000 2.402 236 N HA 0.021 4.761 4.740 -0.000 0.000 0.259 236 N C 1.073 176.296 175.510 -0.478 0.000 1.167 236 N CA 0.559 52.942 53.050 -1.112 0.000 0.949 236 N CB 0.992 38.923 38.487 -0.925 0.000 1.212 236 N HN 0.714 nan 8.380 nan 0.000 0.493 237 S N 1.601 117.069 115.700 -0.385 0.000 2.524 237 S HA 0.401 4.870 4.470 -0.000 0.000 0.216 237 S C 0.919 175.437 174.600 -0.138 0.000 0.987 237 S CA 0.257 58.344 58.200 -0.189 0.000 0.909 237 S CB 0.071 63.199 63.200 -0.119 0.000 0.781 237 S HN 0.693 nan 8.310 nan 0.000 0.521 238 G N -0.286 108.422 108.800 -0.153 0.000 2.360 238 G HA2 0.406 4.366 3.960 -0.000 0.000 0.276 238 G HA3 0.406 4.366 3.960 -0.000 0.000 0.276 238 G C -1.669 173.186 174.900 -0.076 0.000 1.256 238 G CA -0.311 44.734 45.100 -0.092 0.000 0.890 238 G HN 0.204 nan 8.290 nan 0.000 0.486 239 T N 1.087 115.617 114.554 -0.041 0.000 2.840 239 T HA 0.715 5.065 4.350 -0.000 0.000 0.287 239 T C -0.393 174.302 174.700 -0.008 0.000 0.991 239 T CA 0.140 62.229 62.100 -0.018 0.000 0.964 239 T CB 1.328 70.188 68.868 -0.013 0.000 0.954 239 T HN 1.246 nan 8.240 nan 0.000 0.438 240 T N 0.319 114.876 114.554 0.004 0.000 2.909 240 T HA 0.519 4.868 4.350 -0.000 0.000 0.299 240 T C -0.041 174.667 174.700 0.014 0.000 1.073 240 T CA -0.979 61.125 62.100 0.006 0.000 0.999 240 T CB 1.105 69.976 68.868 0.006 0.000 1.098 240 T HN 0.492 nan 8.240 nan 0.000 0.477 241 N N 0.745 119.452 118.700 0.011 0.000 2.721 241 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 241 N C 1.183 176.701 175.510 0.014 0.000 1.072 241 N CA 1.580 54.638 53.050 0.013 0.000 0.710 241 N CB -1.558 36.939 38.487 0.016 0.000 0.993 241 N HN 1.890 nan 8.380 nan 0.000 0.547 242 G N -1.411 107.396 108.800 0.012 0.000 2.155 242 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 242 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 242 G C -0.033 174.878 174.900 0.018 0.000 0.983 242 G CA 0.862 45.969 45.100 0.012 0.000 0.676 242 G HN 0.470 nan 8.290 nan 0.000 0.528 243 L N 0.287 121.525 121.223 0.026 0.000 2.350 243 L HA 0.545 4.884 4.340 -0.000 0.000 0.260 243 L C -2.078 174.825 176.870 0.055 0.000 1.015 243 L CA -2.772 52.093 54.840 0.042 0.000 0.821 243 L CB 2.481 44.569 42.059 0.049 0.000 1.370 243 L HN -0.186 nan 8.230 nan 0.000 0.416 244 P HA 0.043 nan 4.420 nan 0.000 0.264 244 P C -1.019 176.362 177.300 0.134 0.000 1.193 244 P CA -0.048 63.108 63.100 0.094 0.000 0.763 244 P CB 0.765 32.587 31.700 0.202 0.000 0.810 245 A N 3.722 126.541 122.820 -0.002 0.000 2.301 245 A HA 0.573 4.893 4.320 -0.000 0.000 0.312 245 A C -0.744 176.774 177.584 -0.110 0.000 1.182 245 A CA -0.431 51.620 52.037 0.022 0.000 0.826 245 A CB -0.025 18.965 19.000 -0.018 0.000 1.134 245 A HN 0.428 nan 8.150 nan 0.000 0.501 246 F N 1.665 121.617 119.950 0.004 0.000 2.531 246 F HA 0.374 4.900 4.527 -0.000 0.000 0.333 246 F C 1.136 176.944 175.800 0.014 0.000 1.292 246 F CA -0.079 57.925 58.000 0.007 0.000 1.184 246 F CB 1.209 40.212 39.000 0.004 0.000 1.426 246 F HN 0.701 nan 8.300 nan 0.000 0.559 247 R N -0.108 120.441 120.500 0.081 0.000 2.509 247 R HA 0.349 4.689 4.340 -0.000 0.000 0.300 247 R C -0.622 175.713 176.300 0.059 0.000 0.985 247 R CA 0.064 56.206 56.100 0.069 0.000 1.092 247 R CB 0.403 30.721 30.300 0.031 0.000 1.237 247 R HN 0.349 nan 8.270 nan 0.000 0.546 248 c N 0.602 119.235 118.600 0.055 0.000 2.614 248 c HA 0.737 5.307 4.570 -0.000 0.000 0.320 248 c C 0.021 174.167 174.090 0.094 0.000 1.200 248 c CA -0.938 55.428 56.329 0.061 0.000 1.700 248 c CB 1.895 44.419 42.510 0.024 0.000 2.275 248 c HN 0.199 nan 8.230 nan 0.000 0.492 249 V N -0.313 119.669 119.914 0.113 0.000 3.078 249 V HA 0.756 4.876 4.120 -0.000 0.000 0.311 249 V C -1.199 174.984 176.094 0.147 0.000 1.138 249 V CA -0.505 61.878 62.300 0.138 0.000 1.007 249 V CB 2.049 33.962 31.823 0.149 0.000 1.045 249 V HN 0.911 nan 8.190 nan 0.000 0.432 250 E N 1.902 122.186 120.200 0.140 0.000 2.210 250 E HA 0.638 4.988 4.350 -0.000 0.000 0.266 250 E C -1.918 174.788 176.600 0.176 0.000 0.883 250 E CA -0.527 55.928 56.400 0.090 0.000 0.761 250 E CB 2.393 32.124 29.700 0.052 0.000 1.156 250 E HN 0.870 nan 8.360 nan 0.000 0.412 251 Y N 0.247 120.585 120.300 0.063 0.000 2.553 251 Y HA 0.864 5.414 4.550 -0.000 0.000 0.347 251 Y C -1.258 174.702 175.900 0.100 0.000 1.019 251 Y CA -1.122 57.025 58.100 0.077 0.000 1.032 251 Y CB 1.397 39.894 38.460 0.063 0.000 1.284 251 Y HN 0.509 nan 8.280 nan 0.000 0.466 252 A N 1.857 124.865 122.820 0.314 0.000 2.587 252 A HA 0.511 4.830 4.320 -0.000 0.000 0.293 252 A C -0.002 177.757 177.584 0.293 0.000 1.087 252 A CA -0.684 51.490 52.037 0.229 0.000 0.692 252 A CB 1.738 20.880 19.000 0.237 0.000 1.291 252 A HN 0.952 nan 8.150 nan 0.000 0.407 253 E N -0.374 119.939 120.200 0.187 0.000 2.107 253 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 253 E C 0.595 177.249 176.600 0.089 0.000 0.982 253 E CA 1.755 58.233 56.400 0.129 0.000 0.809 253 E CB 0.075 29.814 29.700 0.064 0.000 0.756 253 E HN 0.671 nan 8.360 nan 0.000 0.459 254 Q N -1.121 118.685 119.800 0.009 0.000 2.804 254 Q HA 0.203 4.542 4.340 -0.000 0.000 0.302 254 Q C -1.239 174.314 176.000 -0.744 0.000 0.885 254 Q CA -0.886 54.769 55.803 -0.246 0.000 0.759 254 Q CB 0.637 29.256 28.738 -0.199 0.000 1.465 254 Q HN -0.074 nan 8.270 nan 0.000 0.432 255 E N -0.461 118.943 120.200 -1.327 0.000 2.452 255 E HA 0.269 4.619 4.350 -0.000 0.000 0.261 255 E C 0.683 176.988 176.600 -0.492 0.000 0.987 255 E CA 1.676 57.281 56.400 -1.326 0.000 0.926 255 E CB -0.147 29.030 29.700 -0.872 0.000 0.934 255 E HN 0.892 nan 8.360 nan 0.000 0.452 256 G N 2.431 111.069 108.800 -0.271 0.000 2.225 256 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.254 256 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.254 256 G C 0.358 175.209 174.900 -0.081 0.000 0.988 256 G CA 0.129 45.158 45.100 -0.119 0.000 0.625 256 G HN 0.911 nan 8.290 nan 0.000 0.527 257 A N 0.823 123.587 122.820 -0.093 0.000 2.346 257 A HA 0.694 5.014 4.320 -0.000 0.000 0.252 257 A C -1.266 176.312 177.584 -0.011 0.000 1.089 257 A CA -0.314 51.697 52.037 -0.044 0.000 0.797 257 A CB -0.055 18.923 19.000 -0.037 0.000 1.047 257 A HN 0.272 nan 8.150 nan 0.000 0.494 258 P HA 0.292 nan 4.420 nan 0.000 0.271 258 P C -0.159 177.120 177.300 -0.034 0.000 1.218 258 P CA -0.057 63.032 63.100 -0.019 0.000 0.780 258 P CB 0.521 32.205 31.700 -0.027 0.000 0.901 259 T N -0.980 113.550 114.554 -0.039 0.000 2.856 259 T HA 0.370 4.720 4.350 -0.000 0.000 0.292 259 T C 0.072 174.660 174.700 -0.187 0.000 0.980 259 T CA -0.621 61.424 62.100 -0.091 0.000 1.091 259 T CB 0.062 68.909 68.868 -0.036 0.000 0.936 259 T HN 0.212 nan 8.240 nan 0.000 0.503 260 T N 3.233 117.541 114.554 -0.409 0.000 2.882 260 T HA 0.464 4.814 4.350 -0.000 0.000 0.287 260 T C 0.159 174.645 174.700 -0.356 0.000 0.992 260 T CA -0.545 61.262 62.100 -0.488 0.000 1.076 260 T CB 0.900 69.257 68.868 -0.852 0.000 0.961 260 T HN 0.764 nan 8.240 nan 0.000 0.490 261 T N 3.031 117.499 114.554 -0.143 0.000 2.771 261 T HA 0.614 4.964 4.350 -0.000 0.000 0.281 261 T C -0.059 174.679 174.700 0.063 0.000 0.982 261 T CA -0.724 61.364 62.100 -0.019 0.000 0.978 261 T CB 0.852 69.717 68.868 -0.006 0.000 0.930 261 T HN 0.522 nan 8.240 nan 0.000 0.447 262 V N -0.180 119.824 119.914 0.151 0.000 2.876 262 V HA 0.753 4.873 4.120 -0.000 0.000 0.312 262 V C -0.340 175.836 176.094 0.137 0.000 1.085 262 V CA -1.088 61.319 62.300 0.178 0.000 0.945 262 V CB 1.361 33.332 31.823 0.248 0.000 1.017 262 V HN 0.991 nan 8.190 nan 0.000 0.428 263 c N 2.154 120.829 118.600 0.125 0.000 2.435 263 c HA 0.933 5.503 4.570 -0.000 0.000 0.333 263 c C 0.747 174.902 174.090 0.109 0.000 1.202 263 c CA -0.340 56.045 56.329 0.093 0.000 1.830 263 c CB 1.140 43.684 42.510 0.057 0.000 2.326 263 c HN 1.257 nan 8.230 nan 0.000 0.507 264 A N 1.967 124.830 122.820 0.072 0.000 2.301 264 A HA 0.472 4.792 4.320 -0.000 0.000 0.312 264 A C 0.852 178.424 177.584 -0.021 0.000 1.182 264 A CA -0.411 51.650 52.037 0.039 0.000 0.826 264 A CB 0.432 19.444 19.000 0.019 0.000 1.134 264 A HN 0.988 nan 8.150 nan 0.000 0.501 265 K N 0.907 121.270 120.400 -0.063 0.000 2.057 265 K HA -0.098 4.221 4.320 -0.000 0.000 0.206 265 K C 1.441 177.964 176.600 -0.129 0.000 1.050 265 K CA 1.441 57.677 56.287 -0.086 0.000 0.935 265 K CB -0.000 32.442 32.500 -0.096 0.000 0.715 265 K HN 0.584 nan 8.250 nan 0.000 0.439 266 K N 0.714 120.958 120.400 -0.259 0.000 2.183 266 K HA 0.143 4.462 4.320 -0.000 0.000 0.218 266 K C 0.331 176.845 176.600 -0.142 0.000 1.025 266 K CA 0.894 57.011 56.287 -0.283 0.000 0.944 266 K CB 0.272 32.411 32.500 -0.602 0.000 0.936 266 K HN 0.081 nan 8.250 nan 0.000 0.460 267 E N 0.519 120.643 120.200 -0.128 0.000 2.383 267 E HA 0.326 4.676 4.350 -0.000 0.000 0.275 267 E C -1.361 175.331 176.600 0.154 0.000 0.918 267 E CA -0.618 55.844 56.400 0.103 0.000 0.764 267 E CB 2.954 32.801 29.700 0.245 0.000 1.252 267 E HN -0.193 nan 8.360 nan 0.000 0.449 268 V N 2.134 122.125 119.914 0.128 0.000 2.465 268 V HA 0.212 4.332 4.120 -0.000 0.000 0.279 268 V C -0.368 175.789 176.094 0.105 0.000 1.045 268 V CA -0.563 61.807 62.300 0.117 0.000 0.938 268 V CB 1.386 33.270 31.823 0.102 0.000 0.986 268 V HN 0.399 nan 8.190 nan 0.000 0.467 269 V N 6.746 126.712 119.914 0.088 0.000 2.334 269 V HA 0.374 4.493 4.120 -0.000 0.000 0.281 269 V C 0.009 176.109 176.094 0.010 0.000 1.016 269 V CA -0.507 61.818 62.300 0.042 0.000 0.832 269 V CB 1.393 33.231 31.823 0.024 0.000 0.999 269 V HN 0.608 nan 8.190 nan 0.000 0.439 270 L N 4.103 125.321 121.223 -0.008 0.000 2.313 270 L HA 0.393 4.733 4.340 -0.000 0.000 0.282 270 L C 0.604 177.450 176.870 -0.041 0.000 1.092 270 L CA 0.216 55.039 54.840 -0.028 0.000 0.831 270 L CB 1.060 43.091 42.059 -0.046 0.000 1.159 270 L HN 0.628 nan 8.230 nan 0.000 0.442 271 S N 1.805 117.481 115.700 -0.040 0.000 2.740 271 S HA 0.242 4.712 4.470 -0.000 0.000 0.244 271 S C 1.009 175.582 174.600 -0.045 0.000 1.101 271 S CA -0.202 57.968 58.200 -0.050 0.000 1.123 271 S CB 1.105 64.275 63.200 -0.050 0.000 1.012 271 S HN 0.749 nan 8.310 nan 0.000 0.491 272 A N 1.213 124.000 122.820 -0.055 0.000 2.251 272 A HA 0.628 4.948 4.320 -0.000 0.000 0.209 272 A C 1.301 178.830 177.584 -0.093 0.000 1.187 272 A CA 0.473 52.471 52.037 -0.066 0.000 0.823 272 A CB -0.547 18.403 19.000 -0.083 0.000 0.846 272 A HN 1.048 nan 8.150 nan 0.000 0.486 273 G N -1.473 107.278 108.800 -0.081 0.000 2.757 273 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.638 273 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.638 273 G C 0.658 175.509 174.900 -0.081 0.000 1.344 273 G CA -0.102 44.955 45.100 -0.072 0.000 0.855 273 G HN 0.505 nan 8.290 nan 0.000 0.537 274 S N -0.921 114.746 115.700 -0.054 0.000 2.419 274 S HA -0.048 4.422 4.470 -0.000 0.000 0.233 274 S C 2.389 176.941 174.600 -0.079 0.000 1.016 274 S CA 1.852 60.019 58.200 -0.056 0.000 0.974 274 S CB -0.083 63.110 63.200 -0.011 0.000 0.786 274 S HN 0.871 nan 8.310 nan 0.000 0.492 275 V N 0.863 120.728 119.914 -0.083 0.000 2.436 275 V HA 0.091 4.211 4.120 -0.000 0.000 0.240 275 V C 2.635 178.588 176.094 -0.236 0.000 1.040 275 V CA 1.460 63.658 62.300 -0.170 0.000 1.052 275 V CB -1.402 30.324 31.823 -0.162 0.000 0.707 275 V HN 0.504 nan 8.190 nan 0.000 0.469 276 G N -0.091 108.561 108.800 -0.245 0.000 2.442 276 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 276 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 276 G C 1.688 176.468 174.900 -0.201 0.000 1.141 276 G CA 1.780 46.703 45.100 -0.295 0.000 0.763 276 G HN 0.446 nan 8.290 nan 0.000 0.554 277 T N 1.707 116.167 114.554 -0.157 0.000 2.732 277 T HA -0.027 4.323 4.350 -0.000 0.000 0.261 277 T C 0.289 174.908 174.700 -0.135 0.000 1.040 277 T CA 1.461 63.484 62.100 -0.129 0.000 1.145 277 T CB -0.729 68.073 68.868 -0.111 0.000 0.866 277 T HN 0.264 nan 8.240 nan 0.000 0.427 278 P HA -0.060 nan 4.420 nan 0.000 0.215 278 P C 1.864 179.079 177.300 -0.142 0.000 1.153 278 P CA 1.142 64.159 63.100 -0.139 0.000 0.853 278 P CB -0.450 31.166 31.700 -0.141 0.000 0.788 279 I N -3.169 117.304 120.570 -0.162 0.000 2.315 279 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 279 I C 2.250 178.293 176.117 -0.124 0.000 1.117 279 I CA 1.295 62.503 61.300 -0.154 0.000 1.404 279 I CB -1.064 36.818 38.000 -0.195 0.000 1.071 279 I HN -0.188 nan 8.210 nan 0.000 0.419 280 L N 1.380 122.529 121.223 -0.124 0.000 2.056 280 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 280 L C 2.327 179.144 176.870 -0.088 0.000 1.078 280 L CA 1.759 56.542 54.840 -0.094 0.000 0.749 280 L CB -0.789 41.220 42.059 -0.082 0.000 0.901 280 L HN 0.281 nan 8.230 nan 0.000 0.433 281 L N -0.940 120.215 121.223 -0.113 0.000 2.012 281 L HA -0.296 4.044 4.340 -0.000 0.000 0.210 281 L C 2.644 179.444 176.870 -0.117 0.000 1.073 281 L CA 1.700 56.457 54.840 -0.138 0.000 0.748 281 L CB -0.660 41.306 42.059 -0.155 0.000 0.891 281 L HN 0.355 nan 8.230 nan 0.000 0.431 282 Q N -0.133 119.606 119.800 -0.102 0.000 2.077 282 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 282 Q C 2.324 178.291 176.000 -0.056 0.000 0.989 282 Q CA 1.568 57.323 55.803 -0.080 0.000 0.853 282 Q CB -0.315 28.372 28.738 -0.084 0.000 0.907 282 Q HN 0.462 nan 8.270 nan 0.000 0.418 283 L N 0.042 121.232 121.223 -0.054 0.000 2.261 283 L HA -0.162 4.177 4.340 -0.000 0.000 0.216 283 L C 1.724 178.593 176.870 -0.002 0.000 1.114 283 L CA 0.795 55.617 54.840 -0.031 0.000 0.777 283 L CB -0.042 41.992 42.059 -0.042 0.000 0.910 283 L HN 0.086 nan 8.230 nan 0.000 0.440 284 S N -0.820 114.881 115.700 0.001 0.000 2.577 284 S HA 0.268 4.738 4.470 -0.000 0.000 0.219 284 S C 1.301 175.949 174.600 0.079 0.000 0.962 284 S CA 0.499 58.739 58.200 0.065 0.000 0.921 284 S CB 0.742 63.979 63.200 0.062 0.000 0.789 284 S HN 0.580 nan 8.310 nan 0.000 0.497 285 G N 1.766 110.577 108.800 0.018 0.000 2.132 285 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.234 285 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.234 285 G C -0.096 174.789 174.900 -0.026 0.000 0.989 285 G CA -0.331 44.782 45.100 0.023 0.000 0.676 285 G HN 0.515 nan 8.290 nan 0.000 0.522 286 I N 1.136 121.645 120.570 -0.101 0.000 2.359 286 I HA 0.651 4.821 4.170 -0.000 0.000 0.284 286 I C 0.841 176.890 176.117 -0.113 0.000 1.018 286 I CA 0.285 61.495 61.300 -0.151 0.000 1.173 286 I CB 1.094 38.920 38.000 -0.290 0.000 1.326 286 I HN 0.502 nan 8.210 nan 0.000 0.462 287 G N 4.738 113.487 108.800 -0.084 0.000 2.333 287 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.288 287 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.288 287 G C -1.816 173.052 174.900 -0.053 0.000 1.286 287 G CA -0.800 44.256 45.100 -0.073 0.000 0.865 287 G HN 0.407 nan 8.290 nan 0.000 0.506 288 D N 0.232 120.602 120.400 -0.050 0.000 2.401 288 D HA 0.110 4.750 4.640 -0.000 0.000 0.254 288 D C 1.256 177.537 176.300 -0.032 0.000 1.192 288 D CA 0.161 54.138 54.000 -0.039 0.000 0.885 288 D CB 1.554 42.329 40.800 -0.042 0.000 1.147 288 D HN 0.545 nan 8.370 nan 0.000 0.478 289 E N 3.566 123.751 120.200 -0.024 0.000 2.051 289 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 289 E C 1.195 177.785 176.600 -0.017 0.000 0.991 289 E CA 1.017 57.406 56.400 -0.018 0.000 0.799 289 E CB 0.218 29.911 29.700 -0.013 0.000 0.748 289 E HN 0.455 nan 8.360 nan 0.000 0.449 290 N N 1.176 119.865 118.700 -0.019 0.000 2.069 290 N HA -0.160 4.580 4.740 -0.000 0.000 0.191 290 N C 1.391 176.888 175.510 -0.023 0.000 1.031 290 N CA 1.530 54.569 53.050 -0.019 0.000 0.852 290 N CB -0.434 38.041 38.487 -0.020 0.000 1.018 290 N HN 0.280 nan 8.380 nan 0.000 0.423 291 D N 0.963 121.346 120.400 -0.029 0.000 2.117 291 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 291 D C 2.196 178.478 176.300 -0.030 0.000 0.987 291 D CA 0.455 54.435 54.000 -0.033 0.000 0.829 291 D CB -0.271 40.502 40.800 -0.044 0.000 0.961 291 D HN 0.255 nan 8.370 nan 0.000 0.460 292 L N 1.039 122.246 121.223 -0.028 0.000 2.093 292 L HA -0.127 4.212 4.340 -0.000 0.000 0.208 292 L C 2.503 179.364 176.870 -0.015 0.000 1.085 292 L CA 1.365 56.192 54.840 -0.023 0.000 0.755 292 L CB -0.543 41.503 42.059 -0.021 0.000 0.904 292 L HN 0.081 nan 8.230 nan 0.000 0.435 293 S N -1.093 114.599 115.700 -0.013 0.000 2.470 293 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 293 S C 2.087 176.682 174.600 -0.009 0.000 1.006 293 S CA 0.636 58.832 58.200 -0.008 0.000 0.934 293 S CB -0.290 62.907 63.200 -0.006 0.000 0.778 293 S HN 0.487 nan 8.310 nan 0.000 0.517 294 S N 1.956 117.649 115.700 -0.013 0.000 2.469 294 S HA -0.057 4.412 4.470 -0.000 0.000 0.238 294 S C 1.543 176.136 174.600 -0.011 0.000 0.998 294 S CA 0.829 59.021 58.200 -0.013 0.000 0.957 294 S CB -0.793 62.397 63.200 -0.017 0.000 0.764 294 S HN 1.017 nan 8.310 nan 0.000 0.514 295 V N -3.241 116.667 119.914 -0.011 0.000 3.319 295 V HA 0.730 4.849 4.120 -0.000 0.000 0.317 295 V C 1.219 177.313 176.094 -0.001 0.000 1.411 295 V CA -0.041 62.255 62.300 -0.007 0.000 1.112 295 V CB -0.740 31.076 31.823 -0.012 0.000 1.031 295 V HN 0.758 nan 8.190 nan 0.000 0.448 296 G N 1.140 109.939 108.800 -0.001 0.000 2.137 296 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.237 296 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.237 296 G C -0.200 174.703 174.900 0.005 0.000 1.002 296 G CA 0.360 45.462 45.100 0.003 0.000 0.702 296 G HN 0.626 nan 8.290 nan 0.000 0.515 297 I N 0.980 121.551 120.570 0.003 0.000 2.377 297 I HA 0.315 4.485 4.170 -0.000 0.000 0.293 297 I C -0.380 175.741 176.117 0.007 0.000 0.987 297 I CA -0.923 60.381 61.300 0.006 0.000 1.185 297 I CB 1.277 39.278 38.000 0.002 0.000 1.341 297 I HN -0.073 nan 8.210 nan 0.000 0.455 298 D N 4.812 125.220 120.400 0.015 0.000 2.312 298 D HA 0.132 4.772 4.640 -0.000 0.000 0.252 298 D C -0.145 176.169 176.300 0.024 0.000 1.150 298 D CA 0.079 54.089 54.000 0.017 0.000 0.870 298 D CB 1.309 42.121 40.800 0.020 0.000 1.153 298 D HN 0.412 nan 8.370 nan 0.000 0.457 299 T N 3.019 117.583 114.554 0.017 0.000 2.814 299 T HA 0.189 4.539 4.350 -0.000 0.000 0.297 299 T C 1.786 176.509 174.700 0.039 0.000 0.956 299 T CA -0.229 61.882 62.100 0.019 0.000 1.123 299 T CB 0.791 69.662 68.868 0.004 0.000 0.902 299 T HN 0.260 nan 8.240 nan 0.000 0.528 300 I N 2.464 123.074 120.570 0.067 0.000 2.810 300 I HA 0.100 4.270 4.170 -0.000 0.000 0.262 300 I C 0.175 176.341 176.117 0.082 0.000 1.131 300 I CA 0.443 61.807 61.300 0.107 0.000 1.453 300 I CB 0.469 38.609 38.000 0.234 0.000 1.161 300 I HN 0.312 nan 8.210 nan 0.000 0.444 301 V N 1.955 121.894 119.914 0.042 0.000 2.376 301 V HA 0.243 4.363 4.120 -0.000 0.000 0.287 301 V C -0.586 175.492 176.094 -0.026 0.000 1.015 301 V CA -0.768 61.532 62.300 0.000 0.000 0.834 301 V CB 1.256 33.057 31.823 -0.037 0.000 1.001 301 V HN 0.209 nan 8.190 nan 0.000 0.428 302 N N 4.326 123.016 118.700 -0.017 0.000 2.415 302 N HA 0.132 4.872 4.740 -0.000 0.000 0.250 302 N C -0.513 174.977 175.510 -0.032 0.000 1.127 302 N CA 0.315 53.352 53.050 -0.023 0.000 0.945 302 N CB 0.188 38.667 38.487 -0.013 0.000 1.196 302 N HN 0.689 nan 8.380 nan 0.000 0.499 303 N N 4.630 123.303 118.700 -0.045 0.000 2.577 303 N HA 0.383 5.123 4.740 -0.000 0.000 0.275 303 N C -2.397 173.086 175.510 -0.045 0.000 1.091 303 N CA -1.915 51.106 53.050 -0.047 0.000 0.843 303 N CB 1.745 40.192 38.487 -0.067 0.000 1.295 303 N HN 0.273 nan 8.380 nan 0.000 0.530 304 P HA 0.019 nan 4.420 nan 0.000 0.226 304 P C 0.815 178.097 177.300 -0.029 0.000 1.153 304 P CA 0.763 63.845 63.100 -0.029 0.000 0.777 304 P CB 0.423 32.112 31.700 -0.018 0.000 0.794 305 S N -0.860 114.828 115.700 -0.019 0.000 2.507 305 S HA -0.012 4.457 4.470 -0.000 0.000 0.235 305 S C 0.873 175.446 174.600 -0.044 0.000 0.988 305 S CA 0.273 58.467 58.200 -0.010 0.000 0.944 305 S CB -0.715 62.500 63.200 0.024 0.000 0.762 305 S HN -0.022 nan 8.310 nan 0.000 0.526 306 V N 2.108 121.983 119.914 -0.064 0.000 2.434 306 V HA 0.340 4.460 4.120 -0.000 0.000 0.281 306 V C 1.423 177.462 176.094 -0.091 0.000 1.005 306 V CA 0.791 63.040 62.300 -0.085 0.000 1.089 306 V CB -0.442 31.323 31.823 -0.097 0.000 0.978 306 V HN 0.565 nan 8.190 nan 0.000 0.474 307 G N 4.529 113.269 108.800 -0.099 0.000 2.175 307 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 307 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 307 G C 0.405 175.238 174.900 -0.111 0.000 0.982 307 G CA 0.074 45.105 45.100 -0.115 0.000 0.641 307 G HN 0.581 nan 8.290 nan 0.000 0.527 308 R N -0.542 119.904 120.500 -0.090 0.000 2.541 308 R HA 0.562 4.902 4.340 -0.000 0.000 0.254 308 R C 1.028 177.275 176.300 -0.089 0.000 1.130 308 R CA -0.193 55.855 56.100 -0.087 0.000 1.152 308 R CB 0.139 30.400 30.300 -0.065 0.000 1.222 308 R HN 0.195 nan 8.270 nan 0.000 0.579 309 N N 0.199 118.839 118.700 -0.099 0.000 2.735 309 N HA -0.176 4.563 4.740 -0.000 0.000 0.248 309 N C -1.247 174.191 175.510 -0.121 0.000 1.083 309 N CA 0.264 53.242 53.050 -0.120 0.000 0.703 309 N CB -0.862 37.558 38.487 -0.113 0.000 1.005 309 N HN 0.355 nan 8.380 nan 0.000 0.550 310 L N 0.563 121.714 121.223 -0.120 0.000 2.361 310 L HA 0.427 4.767 4.340 -0.000 0.000 0.278 310 L C -0.068 176.744 176.870 -0.097 0.000 1.113 310 L CA 0.173 54.944 54.840 -0.114 0.000 0.849 310 L CB 0.761 42.731 42.059 -0.149 0.000 1.155 310 L HN 0.181 nan 8.230 nan 0.000 0.452 311 S N 3.824 119.488 115.700 -0.059 0.000 2.578 311 S HA 0.738 5.208 4.470 -0.000 0.000 0.301 311 S C -0.926 173.684 174.600 0.017 0.000 1.091 311 S CA -0.648 57.548 58.200 -0.007 0.000 1.032 311 S CB 1.758 64.978 63.200 0.033 0.000 1.064 311 S HN 0.771 nan 8.310 nan 0.000 0.508 312 D N -0.754 119.690 120.400 0.074 0.000 2.643 312 D HA 0.273 4.913 4.640 -0.000 0.000 0.283 312 D C -1.735 174.660 176.300 0.160 0.000 1.242 312 D CA -0.517 53.544 54.000 0.101 0.000 0.863 312 D CB 1.052 42.007 40.800 0.258 0.000 1.382 312 D HN 0.650 nan 8.370 nan 0.000 0.444 313 H N 0.646 119.813 119.070 0.161 0.000 2.597 313 H HA 0.399 4.955 4.556 -0.000 0.000 0.303 313 H C -0.128 175.183 175.328 -0.029 0.000 1.057 313 H CA -1.158 54.940 56.048 0.082 0.000 1.261 313 H CB 1.080 30.875 29.762 0.055 0.000 1.397 313 H HN 0.171 nan 8.280 nan 0.000 0.461 314 L N 2.446 123.738 121.223 0.115 0.000 2.452 314 L HA 0.285 4.625 4.340 -0.000 0.000 0.267 314 L C -0.732 176.025 176.870 -0.189 0.000 1.188 314 L CA -0.158 54.603 54.840 -0.132 0.000 0.821 314 L CB 0.313 42.298 42.059 -0.123 0.000 1.102 314 L HN 0.551 nan 8.230 nan 0.000 0.470 315 L N 3.318 124.357 121.223 -0.306 0.000 2.322 315 L HA 0.616 4.956 4.340 -0.000 0.000 0.281 315 L C -1.229 175.453 176.870 -0.313 0.000 1.014 315 L CA -0.846 53.812 54.840 -0.303 0.000 0.815 315 L CB 1.633 43.473 42.059 -0.365 0.000 1.247 315 L HN 0.800 nan 8.230 nan 0.000 0.421 316 L N 8.071 129.138 121.223 -0.261 0.000 2.319 316 L HA 0.718 5.057 4.340 -0.000 0.000 0.281 316 L C -2.513 174.204 176.870 -0.255 0.000 1.005 316 L CA -1.678 53.000 54.840 -0.269 0.000 0.828 316 L CB 1.544 43.485 42.059 -0.197 0.000 1.227 316 L HN 0.392 nan 8.230 nan 0.000 0.415 317 P HA 0.635 nan 4.420 nan 0.000 0.285 317 P C -1.793 175.371 177.300 -0.227 0.000 1.269 317 P CA -0.729 62.121 63.100 -0.416 0.000 0.844 317 P CB 2.037 33.176 31.700 -0.935 0.000 1.094 318 A N 0.834 123.533 122.820 -0.202 0.000 2.500 318 A HA 0.638 4.958 4.320 -0.000 0.000 0.288 318 A C -0.885 176.576 177.584 -0.205 0.000 1.045 318 A CA -0.542 51.408 52.037 -0.145 0.000 0.830 318 A CB 0.629 19.592 19.000 -0.062 0.000 1.337 318 A HN 0.561 nan 8.150 nan 0.000 0.400 319 A N 1.659 124.240 122.820 -0.398 0.000 2.303 319 A HA 0.933 5.253 4.320 -0.000 0.000 0.317 319 A C -0.895 176.531 177.584 -0.264 0.000 1.149 319 A CA -0.273 51.561 52.037 -0.339 0.000 0.822 319 A CB 0.322 18.770 19.000 -0.921 0.000 1.131 319 A HN 0.944 nan 8.150 nan 0.000 0.493 320 F N 0.234 120.287 119.950 0.172 0.000 2.547 320 F HA 0.482 5.009 4.527 -0.000 0.000 0.316 320 F C -0.430 175.553 175.800 0.305 0.000 1.121 320 F CA -0.383 57.770 58.000 0.255 0.000 0.911 320 F CB 1.713 40.800 39.000 0.145 0.000 1.179 320 F HN 0.523 nan 8.300 nan 0.000 0.443 321 F N 2.718 122.893 119.950 0.374 0.000 2.563 321 F HA 0.403 4.930 4.527 -0.000 0.000 0.363 321 F C 0.499 176.301 175.800 0.002 0.000 1.123 321 F CA -0.267 57.759 58.000 0.044 0.000 1.307 321 F CB 0.462 39.455 39.000 -0.011 0.000 1.115 321 F HN 0.214 nan 8.300 nan 0.000 0.592 322 V N 0.256 120.178 119.914 0.014 0.000 2.962 322 V HA 0.505 4.625 4.120 -0.000 0.000 0.313 322 V C -0.682 175.240 176.094 -0.287 0.000 1.099 322 V CA -1.197 60.957 62.300 -0.243 0.000 0.971 322 V CB 1.941 33.433 31.823 -0.551 0.000 1.028 322 V HN 0.669 nan 8.190 nan 0.000 0.430 323 N N 2.531 121.008 118.700 -0.371 0.000 2.807 323 N HA 0.468 5.208 4.740 -0.000 0.000 0.259 323 N C -0.647 174.713 175.510 -0.250 0.000 1.149 323 N CA 0.672 53.593 53.050 -0.215 0.000 1.042 323 N CB 0.072 38.496 38.487 -0.105 0.000 1.367 323 N HN 1.048 nan 8.380 nan 0.000 0.516 324 S N 2.175 117.768 115.700 -0.179 0.000 2.542 324 S HA 0.270 4.740 4.470 -0.000 0.000 0.276 324 S C -0.561 174.034 174.600 -0.008 0.000 1.148 324 S CA -0.853 57.305 58.200 -0.070 0.000 0.886 324 S CB 0.296 63.453 63.200 -0.072 0.000 1.109 324 S HN 0.601 nan 8.310 nan 0.000 0.458 325 N N 2.686 121.410 118.700 0.039 0.000 2.279 325 N HA 0.196 4.936 4.740 -0.000 0.000 0.226 325 N C 0.231 175.791 175.510 0.083 0.000 1.126 325 N CA -0.214 52.868 53.050 0.054 0.000 0.846 325 N CB 0.226 38.744 38.487 0.051 0.000 1.050 325 N HN 0.615 nan 8.380 nan 0.000 0.502 326 Q N -0.124 119.732 119.800 0.093 0.000 2.155 326 Q HA 0.103 4.443 4.340 -0.000 0.000 0.220 326 Q C -0.138 175.882 176.000 0.033 0.000 0.819 326 Q CA -0.172 55.691 55.803 0.101 0.000 1.032 326 Q CB 0.798 29.604 28.738 0.112 0.000 1.151 326 Q HN 0.499 nan 8.270 nan 0.000 0.487 327 T N -2.868 111.710 114.554 0.040 0.000 2.816 327 T HA 0.211 4.561 4.350 -0.000 0.000 0.282 327 T C 0.443 175.188 174.700 0.075 0.000 0.993 327 T CA -0.444 61.642 62.100 -0.024 0.000 0.994 327 T CB 0.473 69.406 68.868 0.108 0.000 1.025 327 T HN 0.011 nan 8.240 nan 0.000 0.529 328 F N 0.063 120.171 119.950 0.263 0.000 2.797 328 F HA 0.212 4.739 4.527 -0.000 0.000 0.302 328 F C 1.980 177.971 175.800 0.318 0.000 1.130 328 F CA -0.846 57.309 58.000 0.258 0.000 1.387 328 F CB -0.702 38.481 39.000 0.305 0.000 1.107 328 F HN 0.590 nan 8.300 nan 0.000 0.577 329 D N 0.348 121.021 120.400 0.454 0.000 2.123 329 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 329 D C 1.577 178.080 176.300 0.338 0.000 0.992 329 D CA 1.219 55.471 54.000 0.421 0.000 0.833 329 D CB -0.183 40.826 40.800 0.348 0.000 0.954 329 D HN 0.231 nan 8.370 nan 0.000 0.455 330 N N 0.724 119.564 118.700 0.233 0.000 2.381 330 N HA -0.028 4.712 4.740 -0.000 0.000 0.182 330 N C 2.013 177.571 175.510 0.081 0.000 1.025 330 N CA 0.087 53.225 53.050 0.148 0.000 0.888 330 N CB -0.149 38.408 38.487 0.117 0.000 0.965 330 N HN 0.319 nan 8.380 nan 0.000 0.438 331 I N -0.199 120.385 120.570 0.022 0.000 2.208 331 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 331 I C 1.069 176.962 176.117 -0.372 0.000 1.097 331 I CA 1.168 62.353 61.300 -0.192 0.000 1.363 331 I CB -0.251 37.526 38.000 -0.372 0.000 1.051 331 I HN -0.008 nan 8.210 nan 0.000 0.413 332 F N 0.297 120.281 119.950 0.056 0.000 2.748 332 F HA 0.031 4.558 4.527 -0.000 0.000 0.299 332 F C 2.258 178.041 175.800 -0.028 0.000 1.154 332 F CA 0.629 58.615 58.000 -0.022 0.000 1.446 332 F CB -0.276 38.719 39.000 -0.008 0.000 1.112 332 F HN -0.088 nan 8.300 nan 0.000 0.584 333 R N -1.250 119.315 120.500 0.108 0.000 2.342 333 R HA 0.083 4.423 4.340 -0.000 0.000 0.204 333 R C -0.214 176.113 176.300 0.045 0.000 0.882 333 R CA 0.184 56.327 56.100 0.071 0.000 1.041 333 R CB 0.308 30.654 30.300 0.077 0.000 1.188 333 R HN -0.018 nan 8.270 nan 0.000 0.598 334 D N 0.081 120.510 120.400 0.048 0.000 2.441 334 D HA 0.181 4.821 4.640 -0.000 0.000 0.231 334 D C 0.265 176.605 176.300 0.067 0.000 1.073 334 D CA -0.186 53.844 54.000 0.050 0.000 0.850 334 D CB 1.632 42.464 40.800 0.053 0.000 1.062 334 D HN -0.216 nan 8.370 nan 0.000 0.524 335 S N 1.727 117.468 115.700 0.069 0.000 2.387 335 S HA -0.170 4.300 4.470 -0.000 0.000 0.230 335 S C 1.817 176.487 174.600 0.117 0.000 1.035 335 S CA 1.498 59.767 58.200 0.114 0.000 1.014 335 S CB -0.029 63.221 63.200 0.084 0.000 0.836 335 S HN 0.623 nan 8.310 nan 0.000 0.466 336 S N 1.077 116.818 115.700 0.068 0.000 2.382 336 S HA -0.163 4.307 4.470 -0.000 0.000 0.228 336 S C 1.846 176.464 174.600 0.029 0.000 1.027 336 S CA 1.226 59.451 58.200 0.042 0.000 0.991 336 S CB -0.301 62.917 63.200 0.031 0.000 0.823 336 S HN 0.660 nan 8.310 nan 0.000 0.469 337 E N 0.548 120.775 120.200 0.045 0.000 2.046 337 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 337 E C 1.850 178.450 176.600 0.001 0.000 0.982 337 E CA 0.723 57.138 56.400 0.026 0.000 0.800 337 E CB -0.239 29.485 29.700 0.041 0.000 0.756 337 E HN 0.434 nan 8.360 nan 0.000 0.449 338 F N 2.471 122.360 119.950 -0.102 0.000 2.065 338 F HA -0.267 4.259 4.527 -0.000 0.000 0.298 338 F C 1.903 177.644 175.800 -0.098 0.000 1.112 338 F CA 1.943 59.853 58.000 -0.150 0.000 1.212 338 F CB -0.495 38.406 39.000 -0.164 0.000 0.975 338 F HN 0.060 nan 8.300 nan 0.000 0.476 339 N N 0.205 118.739 118.700 -0.278 0.000 2.244 339 N HA -0.139 4.601 4.740 -0.000 0.000 0.183 339 N C 2.023 177.384 175.510 -0.249 0.000 1.016 339 N CA 1.527 54.386 53.050 -0.318 0.000 0.866 339 N CB -0.250 38.186 38.487 -0.085 0.000 0.980 339 N HN 0.261 nan 8.380 nan 0.000 0.430 340 V N 1.896 121.716 119.914 -0.157 0.000 2.358 340 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 340 V C 1.566 177.577 176.094 -0.140 0.000 1.047 340 V CA 1.646 63.882 62.300 -0.107 0.000 1.035 340 V CB -0.350 31.441 31.823 -0.052 0.000 0.658 340 V HN 0.178 nan 8.190 nan 0.000 0.452 341 D N -0.415 119.862 120.400 -0.205 0.000 2.149 341 D HA -0.089 4.551 4.640 -0.000 0.000 0.201 341 D C 1.933 178.095 176.300 -0.229 0.000 0.972 341 D CA 0.716 54.592 54.000 -0.207 0.000 0.835 341 D CB -0.231 40.427 40.800 -0.237 0.000 0.966 341 D HN 0.308 nan 8.370 nan 0.000 0.476 342 L N 1.524 122.476 121.223 -0.452 0.000 2.012 342 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 342 L C 1.357 178.176 176.870 -0.085 0.000 1.073 342 L CA 1.894 56.521 54.840 -0.355 0.000 0.748 342 L CB -0.558 41.092 42.059 -0.682 0.000 0.891 342 L HN -0.151 nan 8.230 nan 0.000 0.431 343 D N -0.937 119.394 120.400 -0.114 0.000 2.123 343 D HA -0.262 4.378 4.640 -0.000 0.000 0.196 343 D C 2.086 178.379 176.300 -0.012 0.000 0.992 343 D CA 1.458 55.432 54.000 -0.045 0.000 0.833 343 D CB -0.187 40.582 40.800 -0.051 0.000 0.954 343 D HN 0.555 nan 8.370 nan 0.000 0.455 344 Q N -0.990 118.804 119.800 -0.010 0.000 2.079 344 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 344 Q C 2.097 178.123 176.000 0.044 0.000 0.974 344 Q CA 1.093 56.901 55.803 0.009 0.000 0.840 344 Q CB -0.187 28.557 28.738 0.009 0.000 0.898 344 Q HN 0.389 nan 8.270 nan 0.000 0.430 345 W N 0.957 122.191 121.300 -0.110 0.000 2.355 345 W HA -0.161 4.499 4.660 -0.000 0.000 0.309 345 W C 2.051 178.532 176.519 -0.064 0.000 1.206 345 W CA 2.145 59.436 57.345 -0.089 0.000 1.284 345 W CB -0.518 28.875 29.460 -0.112 0.000 1.145 345 W HN 0.037 nan 8.180 nan 0.000 0.502 346 T N 1.192 115.781 114.554 0.059 0.000 2.720 346 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 346 T C 1.451 176.030 174.700 -0.201 0.000 1.037 346 T CA 1.837 63.869 62.100 -0.113 0.000 1.144 346 T CB -0.438 68.454 68.868 0.041 0.000 0.864 346 T HN 0.206 nan 8.240 nan 0.000 0.444 347 N N 0.578 119.204 118.700 -0.124 0.000 2.333 347 N HA -0.014 4.726 4.740 -0.000 0.000 0.178 347 N C 1.885 177.315 175.510 -0.132 0.000 1.018 347 N CA 1.587 54.572 53.050 -0.109 0.000 0.882 347 N CB 0.027 38.478 38.487 -0.060 0.000 0.984 347 N HN 0.628 nan 8.380 nan 0.000 0.434 348 T N -3.218 111.245 114.554 -0.153 0.000 3.041 348 T HA 0.229 4.579 4.350 -0.000 0.000 0.276 348 T C 0.336 174.929 174.700 -0.179 0.000 0.948 348 T CA -0.356 61.670 62.100 -0.123 0.000 0.885 348 T CB 0.660 69.496 68.868 -0.055 0.000 1.175 348 T HN -0.130 nan 8.240 nan 0.000 0.529 349 R N 2.049 122.344 120.500 -0.341 0.000 3.516 349 R HA -0.125 4.215 4.340 -0.000 0.000 0.271 349 R C 0.045 176.297 176.300 -0.080 0.000 1.098 349 R CA 1.404 57.250 56.100 -0.423 0.000 0.732 349 R CB -3.077 26.991 30.300 -0.388 0.000 1.152 349 R HN 0.895 nan 8.270 nan 0.000 0.455 350 T N -4.147 110.419 114.554 0.019 0.000 2.888 350 T HA 0.819 5.169 4.350 -0.000 0.000 0.288 350 T C 0.641 175.428 174.700 0.145 0.000 1.063 350 T CA 0.095 62.268 62.100 0.122 0.000 1.010 350 T CB 3.160 72.093 68.868 0.107 0.000 1.214 350 T HN 0.822 nan 8.240 nan 0.000 0.533 351 G N 0.973 109.866 108.800 0.155 0.000 2.582 351 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.222 351 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.222 351 G C -2.414 172.139 174.900 -0.579 0.000 1.311 351 G CA -0.275 44.767 45.100 -0.097 0.000 0.915 351 G HN 0.690 nan 8.290 nan 0.000 0.528 352 P HA -0.006 nan 4.420 nan 0.000 0.218 352 P C 2.069 179.011 177.300 -0.597 0.000 1.146 352 P CA 1.213 63.676 63.100 -1.061 0.000 0.813 352 P CB -0.022 31.270 31.700 -0.679 0.000 0.778 353 L N -1.197 119.800 121.223 -0.377 0.000 2.465 353 L HA -0.036 4.304 4.340 -0.000 0.000 0.224 353 L C 2.036 178.756 176.870 -0.251 0.000 1.145 353 L CA 1.678 56.302 54.840 -0.360 0.000 0.834 353 L CB -1.271 40.492 42.059 -0.494 0.000 0.944 353 L HN 0.161 nan 8.230 nan 0.000 0.451 354 T N -3.048 111.475 114.554 -0.051 0.000 3.129 354 T HA 0.254 4.604 4.350 -0.000 0.000 0.251 354 T C 0.912 175.653 174.700 0.068 0.000 1.117 354 T CA 0.153 62.315 62.100 0.103 0.000 1.034 354 T CB -0.032 68.979 68.868 0.238 0.000 0.968 354 T HN 0.178 nan 8.240 nan 0.000 0.526 355 A N 1.448 124.244 122.820 -0.039 0.000 2.386 355 A HA 0.622 4.942 4.320 -0.000 0.000 0.248 355 A C 0.332 177.930 177.584 0.023 0.000 1.082 355 A CA -0.572 51.490 52.037 0.041 0.000 0.789 355 A CB 0.105 19.017 19.000 -0.145 0.000 1.025 355 A HN 0.564 nan 8.150 nan 0.000 0.490 356 L N 1.519 122.818 121.223 0.125 0.000 2.431 356 L HA 0.248 4.588 4.340 -0.000 0.000 0.260 356 L C 1.611 178.531 176.870 0.084 0.000 1.098 356 L CA -0.709 54.187 54.840 0.094 0.000 0.800 356 L CB 0.430 42.563 42.059 0.124 0.000 1.210 356 L HN 0.819 nan 8.230 nan 0.000 0.465 357 I N 1.224 121.789 120.570 -0.009 0.000 2.248 357 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 357 I C 0.669 176.796 176.117 0.016 0.000 1.107 357 I CA 1.183 62.425 61.300 -0.097 0.000 1.373 357 I CB -0.125 37.706 38.000 -0.282 0.000 1.055 357 I HN 0.624 nan 8.210 nan 0.000 0.418 358 A N -0.627 122.242 122.820 0.082 0.000 2.517 358 A HA 0.518 4.838 4.320 -0.000 0.000 0.297 358 A C 0.181 177.849 177.584 0.141 0.000 1.050 358 A CA -0.571 51.540 52.037 0.123 0.000 0.694 358 A CB 0.539 19.589 19.000 0.083 0.000 1.277 358 A HN 0.099 nan 8.150 nan 0.000 0.400 359 N N 0.208 118.994 118.700 0.143 0.000 2.373 359 N HA 0.154 4.894 4.740 -0.000 0.000 0.181 359 N C -0.379 174.969 175.510 -0.269 0.000 1.082 359 N CA 0.933 53.999 53.050 0.026 0.000 0.885 359 N CB 0.027 38.530 38.487 0.027 0.000 0.977 359 N HN 0.794 nan 8.380 nan 0.000 0.462 360 H N -1.394 117.734 119.070 0.097 0.000 2.961 360 H HA 0.567 5.123 4.556 -0.000 0.000 0.371 360 H C -1.001 174.465 175.328 0.230 0.000 1.190 360 H CA -0.656 55.446 56.048 0.090 0.000 1.138 360 H CB 1.961 31.698 29.762 -0.041 0.000 1.816 360 H HN -0.223 nan 8.280 nan 0.000 0.551 361 L N 1.352 122.792 121.223 0.361 0.000 2.436 361 L HA 0.753 5.093 4.340 -0.000 0.000 0.268 361 L C -0.732 176.317 176.870 0.299 0.000 0.974 361 L CA -1.105 53.899 54.840 0.273 0.000 0.826 361 L CB 2.148 44.442 42.059 0.392 0.000 1.291 361 L HN 0.667 nan 8.230 nan 0.000 0.406 362 A N 2.129 125.001 122.820 0.088 0.000 2.288 362 A HA 0.739 5.059 4.320 -0.000 0.000 0.320 362 A C -1.848 175.625 177.584 -0.185 0.000 1.217 362 A CA -0.241 51.839 52.037 0.072 0.000 0.840 362 A CB 0.454 19.518 19.000 0.108 0.000 1.179 362 A HN 0.647 nan 8.150 nan 0.000 0.504 363 W N 2.563 123.773 121.300 -0.150 0.000 2.471 363 W HA 0.660 5.320 4.660 -0.000 0.000 0.318 363 W C -0.603 175.723 176.519 -0.321 0.000 1.034 363 W CA -0.222 56.998 57.345 -0.208 0.000 1.224 363 W CB 1.486 30.876 29.460 -0.117 0.000 1.335 363 W HN 0.472 nan 8.180 nan 0.000 0.452 364 L N 3.255 124.224 121.223 -0.424 0.000 2.371 364 L HA 0.678 5.018 4.340 -0.000 0.000 0.262 364 L C -0.049 176.416 176.870 -0.675 0.000 1.006 364 L CA -1.348 53.062 54.840 -0.718 0.000 0.818 364 L CB 2.427 43.628 42.059 -1.430 0.000 1.354 364 L HN 0.278 nan 8.230 nan 0.000 0.415 365 R N 0.926 121.187 120.500 -0.398 0.000 2.803 365 R HA 0.647 4.987 4.340 -0.000 0.000 0.276 365 R C -1.099 175.384 176.300 0.305 0.000 0.978 365 R CA -0.999 55.119 56.100 0.031 0.000 0.939 365 R CB 2.128 32.475 30.300 0.078 0.000 1.179 365 R HN 0.417 nan 8.270 nan 0.000 0.472 366 L N 3.019 124.719 121.223 0.796 0.000 2.483 366 L HA 0.136 4.476 4.340 -0.000 0.000 0.276 366 L C -1.791 175.367 176.870 0.480 0.000 1.213 366 L CA -1.438 53.764 54.840 0.604 0.000 0.843 366 L CB -0.088 42.224 42.059 0.421 0.000 1.107 366 L HN 0.299 nan 8.230 nan 0.000 0.487 367 P HA -0.002 nan 4.420 nan 0.000 0.265 367 P C 0.423 177.935 177.300 0.352 0.000 1.187 367 P CA 0.012 63.282 63.100 0.284 0.000 0.766 367 P CB 0.522 32.356 31.700 0.223 0.000 0.820 368 S N 1.705 117.549 115.700 0.240 0.000 2.407 368 S HA -0.219 4.251 4.470 -0.000 0.000 0.235 368 S C 1.239 175.972 174.600 0.222 0.000 1.036 368 S CA 1.660 59.961 58.200 0.168 0.000 1.013 368 S CB -0.853 62.392 63.200 0.075 0.000 0.820 368 S HN 0.708 nan 8.310 nan 0.000 0.476 369 N N 1.074 119.908 118.700 0.224 0.000 2.235 369 N HA 0.110 4.850 4.740 -0.000 0.000 0.209 369 N C -0.066 175.583 175.510 0.232 0.000 1.122 369 N CA 0.038 53.210 53.050 0.204 0.000 0.845 369 N CB -0.280 38.286 38.487 0.131 0.000 1.004 369 N HN 0.195 nan 8.380 nan 0.000 0.499 370 S N 0.671 116.556 115.700 0.308 0.000 2.702 370 S HA -0.067 4.403 4.470 -0.000 0.000 0.314 370 S C 1.521 176.154 174.600 0.055 0.000 1.244 370 S CA 0.368 58.681 58.200 0.188 0.000 1.058 370 S CB 0.158 63.423 63.200 0.110 0.000 0.783 370 S HN 0.530 nan 8.310 nan 0.000 0.503 371 S N 4.994 120.710 115.700 0.027 0.000 2.420 371 S HA -0.190 4.280 4.470 -0.000 0.000 0.237 371 S C 1.644 176.083 174.600 -0.269 0.000 1.023 371 S CA 1.258 59.427 58.200 -0.052 0.000 0.991 371 S CB -0.526 62.685 63.200 0.019 0.000 0.792 371 S HN 0.778 nan 8.310 nan 0.000 0.488 372 I N 0.835 120.986 120.570 -0.698 0.000 2.567 372 I HA 0.041 4.210 4.170 -0.000 0.000 0.257 372 I C 1.256 177.188 176.117 -0.308 0.000 1.184 372 I CA 0.636 61.443 61.300 -0.823 0.000 1.451 372 I CB -0.585 36.494 38.000 -1.535 0.000 1.089 372 I HN 0.220 nan 8.210 nan 0.000 0.441 373 F N 0.072 120.014 119.950 -0.013 0.000 2.661 373 F HA -0.008 4.519 4.527 -0.000 0.000 0.298 373 F C 2.322 178.151 175.800 0.049 0.000 1.137 373 F CA 0.570 58.612 58.000 0.070 0.000 1.454 373 F CB -0.974 38.068 39.000 0.069 0.000 1.103 373 F HN 0.161 nan 8.300 nan 0.000 0.577 374 Q N -0.534 119.351 119.800 0.141 0.000 2.291 374 Q HA -0.100 4.240 4.340 -0.000 0.000 0.205 374 Q C 1.820 177.853 176.000 0.055 0.000 0.970 374 Q CA 1.799 57.653 55.803 0.085 0.000 0.876 374 Q CB -0.106 28.658 28.738 0.044 0.000 0.935 374 Q HN 0.476 nan 8.270 nan 0.000 0.455 375 T N -3.989 110.607 114.554 0.071 0.000 3.016 375 T HA 0.255 4.605 4.350 -0.000 0.000 0.271 375 T C -0.027 174.567 174.700 -0.177 0.000 0.968 375 T CA -0.404 61.669 62.100 -0.043 0.000 0.891 375 T CB 0.243 69.063 68.868 -0.079 0.000 1.149 375 T HN -0.061 nan 8.240 nan 0.000 0.524 376 F N 3.006 122.982 119.950 0.042 0.000 2.482 376 F HA 0.619 5.146 4.527 -0.000 0.000 0.331 376 F C -2.394 173.479 175.800 0.122 0.000 1.115 376 F CA -2.614 55.420 58.000 0.056 0.000 0.955 376 F CB 1.688 40.718 39.000 0.050 0.000 1.136 376 F HN -0.133 nan 8.300 nan 0.000 0.452 377 P HA -0.018 nan 4.420 nan 0.000 0.272 377 P C -0.736 176.656 177.300 0.155 0.000 1.223 377 P CA -0.243 62.933 63.100 0.127 0.000 0.784 377 P CB 0.710 32.430 31.700 0.033 0.000 0.923 378 D N 2.939 123.395 120.400 0.093 0.000 2.412 378 D HA 0.004 4.644 4.640 -0.000 0.000 0.257 378 D C -1.248 175.064 176.300 0.019 0.000 1.217 378 D CA -1.406 52.667 54.000 0.121 0.000 0.897 378 D CB 0.242 40.985 40.800 -0.095 0.000 1.132 378 D HN 0.196 nan 8.370 nan 0.000 0.493 379 P HA 0.146 nan 4.420 nan 0.000 0.249 379 P C -0.053 177.240 177.300 -0.011 0.000 1.229 379 P CA -0.192 62.828 63.100 -0.134 0.000 0.788 379 P CB 0.059 31.547 31.700 -0.355 0.000 1.072 380 A N 0.712 123.597 122.820 0.108 0.000 2.483 380 A HA 0.361 4.681 4.320 -0.000 0.000 0.238 380 A C 1.856 179.382 177.584 -0.096 0.000 1.070 380 A CA 0.389 52.448 52.037 0.038 0.000 0.770 380 A CB -0.000 18.974 19.000 -0.043 0.000 1.008 380 A HN 0.174 nan 8.150 nan 0.000 0.497 381 A N 1.633 124.367 122.820 -0.142 0.000 2.032 381 A HA 0.336 4.656 4.320 -0.000 0.000 0.221 381 A C 1.334 178.789 177.584 -0.215 0.000 1.165 381 A CA 2.267 54.159 52.037 -0.243 0.000 0.645 381 A CB -0.610 18.242 19.000 -0.246 0.000 0.807 381 A HN 2.403 nan 8.150 nan 0.000 0.453 382 G N -3.559 105.140 108.800 -0.168 0.000 2.390 382 G HA2 0.410 4.370 3.960 -0.000 0.000 0.294 382 G HA3 0.410 4.370 3.960 -0.000 0.000 0.294 382 G C -2.608 172.212 174.900 -0.134 0.000 1.388 382 G CA 0.118 45.129 45.100 -0.150 0.000 0.804 382 G HN -0.149 nan 8.290 nan 0.000 0.505 383 P HA -0.020 nan 4.420 nan 0.000 0.226 383 P C 0.504 177.748 177.300 -0.094 0.000 1.153 383 P CA 0.742 63.785 63.100 -0.094 0.000 0.777 383 P CB 0.230 31.886 31.700 -0.073 0.000 0.794 384 N N -0.689 117.934 118.700 -0.129 0.000 2.235 384 N HA 0.087 4.827 4.740 -0.000 0.000 0.209 384 N C 0.272 175.676 175.510 -0.178 0.000 1.122 384 N CA 0.189 53.157 53.050 -0.137 0.000 0.845 384 N CB 0.413 38.792 38.487 -0.180 0.000 1.004 384 N HN 0.093 nan 8.380 nan 0.000 0.499 385 S N 0.144 115.739 115.700 -0.175 0.000 2.718 385 S HA 0.708 5.178 4.470 -0.000 0.000 0.300 385 S C 0.127 174.633 174.600 -0.156 0.000 1.117 385 S CA -0.784 57.324 58.200 -0.154 0.000 1.002 385 S CB 2.056 65.166 63.200 -0.150 0.000 1.092 385 S HN 0.256 nan 8.310 nan 0.000 0.542 386 A N -0.165 122.619 122.820 -0.059 0.000 2.302 386 A HA 0.526 4.846 4.320 -0.000 0.000 0.285 386 A C -0.011 177.520 177.584 -0.087 0.000 1.105 386 A CA -0.192 51.812 52.037 -0.055 0.000 0.816 386 A CB -0.026 19.103 19.000 0.214 0.000 1.067 386 A HN 1.022 nan 8.150 nan 0.000 0.489 387 H N -0.592 118.567 119.070 0.149 0.000 2.476 387 H HA 0.220 4.776 4.556 -0.000 0.000 0.292 387 H C -0.048 175.497 175.328 0.361 0.000 1.019 387 H CA 1.323 57.573 56.048 0.336 0.000 1.330 387 H CB 0.320 30.394 29.762 0.520 0.000 1.451 387 H HN 0.821 nan 8.280 nan 0.000 0.535 388 W N -0.238 121.123 121.300 0.101 0.000 3.042 388 W HA 0.553 5.213 4.660 -0.000 0.000 0.342 388 W C -1.757 174.594 176.519 -0.281 0.000 1.240 388 W CA -1.109 56.182 57.345 -0.090 0.000 1.166 388 W CB 1.168 30.579 29.460 -0.082 0.000 1.469 388 W HN -0.278 nan 8.180 nan 0.000 0.579 389 E N 0.618 120.620 120.200 -0.329 0.000 2.277 389 E HA 0.659 5.009 4.350 -0.000 0.000 0.266 389 E C -1.274 175.122 176.600 -0.340 0.000 0.901 389 E CA -0.828 55.124 56.400 -0.748 0.000 0.782 389 E CB 2.363 31.345 29.700 -1.196 0.000 1.228 389 E HN 0.471 nan 8.360 nan 0.000 0.424 390 T N 3.173 117.459 114.554 -0.447 0.000 2.848 390 T HA 0.512 4.861 4.350 -0.000 0.000 0.285 390 T C -0.447 173.803 174.700 -0.749 0.000 0.995 390 T CA -0.490 61.305 62.100 -0.507 0.000 0.970 390 T CB 0.578 69.158 68.868 -0.479 0.000 0.976 390 T HN 0.317 nan 8.240 nan 0.000 0.441 391 I N 3.021 123.155 120.570 -0.727 0.000 2.436 391 I HA 0.455 4.625 4.170 -0.000 0.000 0.289 391 I C -1.147 174.589 176.117 -0.636 0.000 1.010 391 I CA -0.837 60.148 61.300 -0.525 0.000 1.098 391 I CB 1.452 39.319 38.000 -0.221 0.000 1.266 391 I HN 0.511 nan 8.210 nan 0.000 0.434 392 F N 4.005 123.896 119.950 -0.099 0.000 2.361 392 F HA 0.419 4.946 4.527 -0.000 0.000 0.364 392 F C 0.431 176.231 175.800 -0.000 0.000 1.117 392 F CA -0.407 57.538 58.000 -0.093 0.000 1.071 392 F CB 1.446 40.392 39.000 -0.090 0.000 1.188 392 F HN 0.280 nan 8.300 nan 0.000 0.464 393 S N 1.867 117.650 115.700 0.139 0.000 2.454 393 S HA 0.159 4.629 4.470 -0.000 0.000 0.306 393 S C 0.351 175.073 174.600 0.205 0.000 1.100 393 S CA -0.849 57.441 58.200 0.150 0.000 1.087 393 S CB 1.138 64.378 63.200 0.067 0.000 1.019 393 S HN 0.550 nan 8.310 nan 0.000 0.480 394 N N 3.168 121.987 118.700 0.200 0.000 2.715 394 N HA 0.033 4.773 4.740 -0.000 0.000 0.254 394 N C -0.064 175.526 175.510 0.133 0.000 1.306 394 N CA 0.034 53.138 53.050 0.090 0.000 0.956 394 N CB -0.518 37.827 38.487 -0.236 0.000 1.296 394 N HN 0.785 nan 8.380 nan 0.000 0.512 395 Q N -2.340 117.623 119.800 0.272 0.000 2.907 395 Q HA 0.088 4.428 4.340 -0.000 0.000 0.310 395 Q C -1.359 174.854 176.000 0.355 0.000 0.861 395 Q CA -1.038 54.983 55.803 0.364 0.000 0.769 395 Q CB 0.165 29.170 28.738 0.445 0.000 1.465 395 Q HN 0.100 nan 8.270 nan 0.000 0.449 396 W N 1.595 122.984 121.300 0.147 0.000 2.295 396 W HA 0.356 5.016 4.660 -0.000 0.000 0.335 396 W C -0.976 175.555 176.519 0.021 0.000 1.351 396 W CA 0.988 58.267 57.345 -0.109 0.000 1.273 396 W CB 0.373 29.607 29.460 -0.377 0.000 1.214 396 W HN 0.452 nan 8.180 nan 0.000 0.563 397 F N 7.062 126.766 119.950 -0.409 0.000 2.617 397 F HA 0.306 4.833 4.527 -0.000 0.000 0.325 397 F C -1.380 174.084 175.800 -0.561 0.000 1.179 397 F CA -0.825 56.987 58.000 -0.313 0.000 0.965 397 F CB 0.768 39.661 39.000 -0.177 0.000 1.232 397 F HN 0.296 nan 8.300 nan 0.000 0.461 398 H N 7.547 125.882 119.070 -1.226 0.000 3.179 398 H HA 0.324 4.880 4.556 -0.000 0.000 0.331 398 H C -2.520 172.424 175.328 -0.640 0.000 1.013 398 H CA -1.711 53.728 56.048 -1.014 0.000 1.430 398 H CB 2.425 31.602 29.762 -0.976 0.000 1.895 398 H HN 0.324 nan 8.280 nan 0.000 0.468 399 P HA -0.020 nan 4.420 nan 0.000 0.219 399 P C 0.808 178.139 177.300 0.052 0.000 1.146 399 P CA 1.662 64.708 63.100 -0.089 0.000 0.808 399 P CB 0.406 32.101 31.700 -0.008 0.000 0.779 400 A N -1.900 121.018 122.820 0.163 0.000 2.382 400 A HA 0.270 4.589 4.320 -0.000 0.000 0.228 400 A C 0.827 178.339 177.584 -0.119 0.000 1.217 400 A CA 0.008 52.064 52.037 0.033 0.000 0.923 400 A CB -0.048 18.975 19.000 0.039 0.000 0.979 400 A HN 0.080 nan 8.150 nan 0.000 0.515 401 I N 1.457 121.857 120.570 -0.283 0.000 2.389 401 I HA 0.316 4.486 4.170 -0.000 0.000 0.288 401 I C -2.695 173.400 176.117 -0.038 0.000 0.999 401 I CA -2.420 58.736 61.300 -0.239 0.000 1.129 401 I CB 2.110 39.855 38.000 -0.424 0.000 1.288 401 I HN -0.053 nan 8.210 nan 0.000 0.444 402 P HA 0.020 nan 4.420 nan 0.000 0.269 402 P C -0.436 176.410 177.300 -0.757 0.000 1.209 402 P CA -0.413 62.519 63.100 -0.281 0.000 0.776 402 P CB 0.438 32.005 31.700 -0.221 0.000 0.876 403 R N 4.120 124.126 120.500 -0.824 0.000 2.504 403 R HA 0.056 4.396 4.340 -0.000 0.000 0.291 403 R C -2.150 173.605 176.300 -0.908 0.000 0.974 403 R CA -0.913 54.423 56.100 -1.274 0.000 1.077 403 R CB -0.635 29.303 30.300 -0.604 0.000 0.926 403 R HN 0.338 nan 8.270 nan 0.000 0.407 404 P HA 0.015 nan 4.420 nan 0.000 0.268 404 P C -0.337 176.851 177.300 -0.187 0.000 1.208 404 P CA -0.187 62.648 63.100 -0.440 0.000 0.777 404 P CB 0.552 32.095 31.700 -0.261 0.000 0.875 405 D N -1.011 119.349 120.400 -0.067 0.000 2.269 405 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 405 D C 0.808 177.139 176.300 0.051 0.000 0.963 405 D CA 1.305 55.300 54.000 -0.008 0.000 0.864 405 D CB -0.103 40.697 40.800 0.001 0.000 0.936 405 D HN 0.487 nan 8.370 nan 0.000 0.505 406 T N -3.070 111.547 114.554 0.106 0.000 2.906 406 T HA 0.646 4.996 4.350 -0.000 0.000 0.295 406 T C 0.258 175.078 174.700 0.200 0.000 1.075 406 T CA -0.324 61.856 62.100 0.134 0.000 1.005 406 T CB 2.785 71.727 68.868 0.124 0.000 1.136 406 T HN 0.180 nan 8.240 nan 0.000 0.498 407 G N 0.793 109.649 108.800 0.094 0.000 2.650 407 G HA2 0.272 4.232 3.960 -0.000 0.000 0.686 407 G HA3 0.272 4.232 3.960 -0.000 0.000 0.686 407 G C -0.690 173.977 174.900 -0.388 0.000 1.205 407 G CA -0.583 44.428 45.100 -0.147 0.000 0.781 407 G HN 1.086 nan 8.290 nan 0.000 0.648 408 S N 0.278 115.675 115.700 -0.504 0.000 2.472 408 S HA 0.895 5.365 4.470 -0.000 0.000 0.303 408 S C -0.717 173.556 174.600 -0.545 0.000 1.099 408 S CA -0.461 57.543 58.200 -0.325 0.000 1.077 408 S CB 1.295 64.422 63.200 -0.123 0.000 1.031 408 S HN 0.617 nan 8.310 nan 0.000 0.487 409 F N 1.804 121.810 119.950 0.093 0.000 2.588 409 F HA 0.626 5.152 4.527 -0.000 0.000 0.314 409 F C 0.056 175.946 175.800 0.149 0.000 1.069 409 F CA -1.152 56.908 58.000 0.100 0.000 0.931 409 F CB 1.624 40.710 39.000 0.143 0.000 1.260 409 F HN 0.488 nan 8.300 nan 0.000 0.465 410 M N 0.299 120.130 119.600 0.384 0.000 2.664 410 M HA 0.882 5.362 4.480 -0.000 0.000 0.314 410 M C -1.310 175.158 176.300 0.281 0.000 1.200 410 M CA -0.378 55.119 55.300 0.329 0.000 0.916 410 M CB 2.278 35.087 32.600 0.350 0.000 1.717 410 M HN 0.413 nan 8.290 nan 0.000 0.470 411 S N 0.776 116.583 115.700 0.180 0.000 2.599 411 S HA 0.787 5.257 4.470 -0.000 0.000 0.294 411 S C -1.052 173.574 174.600 0.044 0.000 1.094 411 S CA -0.789 57.470 58.200 0.099 0.000 0.931 411 S CB 2.293 65.480 63.200 -0.021 0.000 1.093 411 S HN 0.594 nan 8.310 nan 0.000 0.488 412 V N 2.310 122.230 119.914 0.010 0.000 2.398 412 V HA 0.426 4.546 4.120 -0.000 0.000 0.282 412 V C -0.545 175.452 176.094 -0.161 0.000 1.014 412 V CA -0.485 61.716 62.300 -0.165 0.000 0.838 412 V CB 1.270 32.989 31.823 -0.173 0.000 1.018 412 V HN 0.941 nan 8.190 nan 0.000 0.432 413 T N 4.446 118.869 114.554 -0.219 0.000 2.794 413 T HA 0.470 4.820 4.350 -0.000 0.000 0.280 413 T C -0.157 174.413 174.700 -0.217 0.000 0.987 413 T CA -0.440 61.566 62.100 -0.156 0.000 0.993 413 T CB 0.997 69.842 68.868 -0.039 0.000 0.939 413 T HN 0.666 nan 8.240 nan 0.000 0.449 414 N N 0.997 119.585 118.700 -0.186 0.000 2.417 414 N HA 0.688 5.428 4.740 -0.000 0.000 0.300 414 N C -0.873 174.535 175.510 -0.169 0.000 1.102 414 N CA -0.747 52.206 53.050 -0.161 0.000 0.886 414 N CB 1.383 39.782 38.487 -0.148 0.000 1.203 414 N HN 0.733 nan 8.380 nan 0.000 0.496 415 A N 1.054 123.771 122.820 -0.173 0.000 2.355 415 A HA 0.550 4.870 4.320 -0.000 0.000 0.317 415 A C -1.186 176.342 177.584 -0.092 0.000 1.094 415 A CA -0.595 51.335 52.037 -0.178 0.000 0.764 415 A CB 0.708 19.550 19.000 -0.263 0.000 1.230 415 A HN 0.605 nan 8.150 nan 0.000 0.448 416 L N 4.012 125.229 121.223 -0.009 0.000 2.295 416 L HA 0.297 4.637 4.340 -0.000 0.000 0.288 416 L C 0.349 177.297 176.870 0.130 0.000 1.079 416 L CA -0.102 54.801 54.840 0.106 0.000 0.830 416 L CB 0.107 42.245 42.059 0.132 0.000 1.200 416 L HN 0.674 nan 8.230 nan 0.000 0.438 417 I N 2.474 123.101 120.570 0.096 0.000 2.584 417 I HA 0.020 4.190 4.170 -0.000 0.000 0.255 417 I C 1.180 177.478 176.117 0.302 0.000 1.145 417 I CA 0.971 62.295 61.300 0.040 0.000 1.462 417 I CB -0.801 37.232 38.000 0.056 0.000 1.102 417 I HN 0.814 nan 8.210 nan 0.000 0.433 418 S N 2.473 118.375 115.700 0.337 0.000 2.143 418 S HA 0.394 4.864 4.470 -0.000 0.000 0.188 418 S C -2.460 172.324 174.600 0.306 0.000 1.431 418 S CA -1.254 57.138 58.200 0.319 0.000 1.253 418 S CB 0.243 63.645 63.200 0.337 0.000 1.137 418 S HN 0.030 nan 8.310 nan 0.000 0.457 419 P HA 0.128 nan 4.420 nan 0.000 0.271 419 P C 0.936 178.330 177.300 0.156 0.000 1.218 419 P CA -0.359 62.896 63.100 0.258 0.000 0.780 419 P CB 1.337 33.180 31.700 0.239 0.000 0.901 420 V N 1.685 121.679 119.914 0.133 0.000 2.649 420 V HA -0.065 4.055 4.120 -0.000 0.000 0.248 420 V C 1.530 177.681 176.094 0.095 0.000 1.054 420 V CA 1.462 63.814 62.300 0.087 0.000 1.073 420 V CB -1.162 30.721 31.823 0.101 0.000 0.699 420 V HN 0.691 nan 8.190 nan 0.000 0.463 421 A N 1.362 124.242 122.820 0.100 0.000 2.520 421 A HA 0.356 4.676 4.320 -0.000 0.000 0.235 421 A C 0.395 177.981 177.584 0.005 0.000 1.065 421 A CA 0.499 52.562 52.037 0.045 0.000 0.764 421 A CB 0.077 19.099 19.000 0.037 0.000 1.002 421 A HN 0.376 nan 8.150 nan 0.000 0.502 422 R N 0.497 120.970 120.500 -0.046 0.000 2.673 422 R HA 0.637 4.976 4.340 -0.000 0.000 0.281 422 R C 0.207 176.430 176.300 -0.128 0.000 0.991 422 R CA 0.073 56.123 56.100 -0.083 0.000 0.896 422 R CB 1.869 32.120 30.300 -0.083 0.000 1.201 422 R HN 0.995 nan 8.270 nan 0.000 0.457 423 G N 0.199 108.900 108.800 -0.167 0.000 3.262 423 G HA2 0.653 4.613 3.960 -0.000 0.000 0.229 423 G HA3 0.653 4.613 3.960 -0.000 0.000 0.229 423 G C -1.283 173.512 174.900 -0.175 0.000 1.280 423 G CA -0.416 44.564 45.100 -0.199 0.000 0.951 423 G HN 0.561 nan 8.290 nan 0.000 0.589 424 D N -2.011 118.274 120.400 -0.192 0.000 2.609 424 D HA 0.526 5.166 4.640 -0.000 0.000 0.239 424 D C -1.017 175.164 176.300 -0.199 0.000 1.229 424 D CA -0.620 53.278 54.000 -0.170 0.000 0.808 424 D CB 1.532 42.250 40.800 -0.136 0.000 1.448 424 D HN 0.447 nan 8.370 nan 0.000 0.433 425 I N 0.122 120.581 120.570 -0.186 0.000 2.406 425 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 425 I C -0.320 175.698 176.117 -0.167 0.000 0.999 425 I CA -0.759 60.419 61.300 -0.203 0.000 1.124 425 I CB 1.447 39.309 38.000 -0.229 0.000 1.289 425 I HN 0.194 nan 8.210 nan 0.000 0.441 426 K N 5.896 126.200 120.400 -0.160 0.000 2.482 426 K HA 0.622 4.942 4.320 -0.000 0.000 0.257 426 K C -1.207 175.320 176.600 -0.121 0.000 0.969 426 K CA -0.953 55.259 56.287 -0.125 0.000 0.842 426 K CB 2.695 35.133 32.500 -0.102 0.000 1.359 426 K HN 0.403 nan 8.250 nan 0.000 0.441 427 L N 1.643 122.809 121.223 -0.095 0.000 2.416 427 L HA 0.142 4.482 4.340 -0.000 0.000 0.272 427 L C 1.122 177.958 176.870 -0.057 0.000 1.161 427 L CA -0.003 54.792 54.840 -0.074 0.000 0.845 427 L CB 1.000 43.024 42.059 -0.058 0.000 1.119 427 L HN 0.947 nan 8.230 nan 0.000 0.464 428 A N 2.198 124.993 122.820 -0.042 0.000 1.984 428 A HA 0.117 4.437 4.320 -0.000 0.000 0.214 428 A C 0.897 178.474 177.584 -0.012 0.000 1.173 428 A CA 1.138 53.160 52.037 -0.026 0.000 0.673 428 A CB 0.075 19.066 19.000 -0.014 0.000 0.830 428 A HN 0.788 nan 8.150 nan 0.000 0.453 429 T N -4.361 110.190 114.554 -0.005 0.000 2.787 429 T HA 0.414 4.764 4.350 -0.000 0.000 0.297 429 T C 0.355 175.057 174.700 0.003 0.000 1.221 429 T CA 0.344 62.448 62.100 0.006 0.000 1.006 429 T CB 1.105 69.988 68.868 0.024 0.000 1.328 429 T HN 0.392 nan 8.240 nan 0.000 0.509 430 S N 0.078 115.784 115.700 0.011 0.000 2.605 430 S HA 0.176 4.646 4.470 -0.000 0.000 0.217 430 S C 0.576 175.191 174.600 0.023 0.000 0.958 430 S CA -0.463 57.743 58.200 0.009 0.000 0.919 430 S CB -0.650 62.556 63.200 0.011 0.000 0.780 430 S HN 0.746 nan 8.310 nan 0.000 0.507 431 N N 3.384 122.109 118.700 0.042 0.000 2.405 431 N HA 0.252 4.992 4.740 -0.000 0.000 0.260 431 N C -2.007 173.532 175.510 0.048 0.000 1.152 431 N CA -2.048 51.049 53.050 0.078 0.000 0.948 431 N CB 1.298 39.853 38.487 0.113 0.000 1.111 431 N HN 0.011 nan 8.380 nan 0.000 0.485 432 P HA -0.032 nan 4.420 nan 0.000 0.225 432 P C 0.481 177.593 177.300 -0.314 0.000 1.148 432 P CA 1.022 64.005 63.100 -0.195 0.000 0.779 432 P CB -0.009 31.495 31.700 -0.325 0.000 0.780 433 F N -0.950 119.067 119.950 0.111 0.000 2.797 433 F HA 0.103 4.630 4.527 -0.000 0.000 0.302 433 F C 0.947 176.827 175.800 0.132 0.000 1.130 433 F CA 0.095 58.173 58.000 0.130 0.000 1.387 433 F CB -0.494 38.561 39.000 0.091 0.000 1.107 433 F HN -0.183 nan 8.300 nan 0.000 0.577 434 D N 0.743 121.266 120.400 0.204 0.000 2.313 434 D HA 0.142 4.782 4.640 -0.000 0.000 0.247 434 D C 0.297 176.696 176.300 0.164 0.000 1.094 434 D CA -0.149 53.949 54.000 0.163 0.000 0.925 434 D CB 0.883 41.746 40.800 0.104 0.000 1.188 434 D HN -0.234 nan 8.370 nan 0.000 0.430 435 K N 1.885 122.391 120.400 0.175 0.000 2.258 435 K HA 0.316 4.636 4.320 -0.000 0.000 0.264 435 K C -1.982 174.640 176.600 0.036 0.000 1.007 435 K CA -1.389 55.019 56.287 0.202 0.000 0.941 435 K CB -0.109 32.534 32.500 0.239 0.000 0.966 435 K HN 0.313 nan 8.250 nan 0.000 0.480 436 P HA 0.281 nan 4.420 nan 0.000 0.278 436 P C -0.538 176.661 177.300 -0.169 0.000 1.266 436 P CA -0.560 62.432 63.100 -0.180 0.000 0.807 436 P CB 0.669 32.172 31.700 -0.329 0.000 1.094 437 L N 1.437 122.565 121.223 -0.159 0.000 2.268 437 L HA 0.400 4.740 4.340 -0.000 0.000 0.289 437 L C 0.276 177.021 176.870 -0.208 0.000 1.064 437 L CA -0.309 54.443 54.840 -0.147 0.000 0.824 437 L CB -0.051 41.941 42.059 -0.112 0.000 1.202 437 L HN 0.197 nan 8.230 nan 0.000 0.433 438 I N 3.705 124.129 120.570 -0.242 0.000 2.354 438 I HA 0.244 4.413 4.170 -0.000 0.000 0.286 438 I C -0.135 175.787 176.117 -0.325 0.000 1.007 438 I CA -0.177 60.919 61.300 -0.340 0.000 1.167 438 I CB 1.311 39.020 38.000 -0.485 0.000 1.320 438 I HN 0.483 nan 8.210 nan 0.000 0.458 439 N N 8.695 127.207 118.700 -0.314 0.000 2.746 439 N HA 0.373 5.112 4.740 -0.000 0.000 0.250 439 N C -2.276 173.006 175.510 -0.379 0.000 1.146 439 N CA -2.227 50.644 53.050 -0.298 0.000 0.828 439 N CB 1.515 39.873 38.487 -0.215 0.000 1.158 439 N HN 0.134 nan 8.380 nan 0.000 0.519 440 P HA 0.005 nan 4.420 nan 0.000 0.229 440 P C -0.541 176.358 177.300 -0.668 0.000 1.160 440 P CA 0.622 63.282 63.100 -0.733 0.000 0.777 440 P CB 0.195 31.092 31.700 -1.338 0.000 0.814 441 Q N -3.145 116.327 119.800 -0.547 0.000 2.487 441 Q HA -0.199 4.141 4.340 -0.000 0.000 0.279 441 Q C -0.805 175.039 176.000 -0.261 0.000 1.228 441 Q CA 0.032 55.639 55.803 -0.326 0.000 0.873 441 Q CB -2.599 26.015 28.738 -0.207 0.000 1.260 441 Q HN 0.340 nan 8.270 nan 0.000 0.471 442 Y N 0.470 120.609 120.300 -0.269 0.000 2.810 442 Y HA -0.051 4.499 4.550 -0.000 0.000 0.332 442 Y C 1.778 177.570 175.900 -0.180 0.000 1.243 442 Y CA 0.892 58.827 58.100 -0.274 0.000 1.537 442 Y CB 0.254 38.342 38.460 -0.620 0.000 1.265 442 Y HN 0.324 nan 8.280 nan 0.000 0.572 443 L N 1.123 122.433 121.223 0.144 0.000 3.865 443 L HA -0.333 4.007 4.340 -0.000 0.000 0.408 443 L C 1.116 178.024 176.870 0.064 0.000 1.209 443 L CA 0.777 55.685 54.840 0.114 0.000 0.940 443 L CB -1.886 40.274 42.059 0.168 0.000 1.971 443 L HN 0.760 nan 8.230 nan 0.000 0.899 444 S N -2.728 112.998 115.700 0.043 0.000 2.593 444 S HA 0.144 4.614 4.470 -0.000 0.000 0.217 444 S C 0.780 175.418 174.600 0.064 0.000 0.966 444 S CA 0.357 58.575 58.200 0.029 0.000 0.914 444 S CB 0.135 63.331 63.200 -0.008 0.000 0.776 444 S HN 0.583 nan 8.310 nan 0.000 0.523 445 T N -1.836 112.771 114.554 0.088 0.000 2.916 445 T HA 0.577 4.927 4.350 -0.000 0.000 0.292 445 T C 0.456 175.209 174.700 0.088 0.000 1.064 445 T CA -0.547 61.635 62.100 0.137 0.000 1.011 445 T CB 1.902 70.883 68.868 0.189 0.000 1.152 445 T HN -0.050 nan 8.240 nan 0.000 0.510 446 E N 0.516 120.798 120.200 0.136 0.000 2.107 446 E HA -0.031 4.319 4.350 -0.000 0.000 0.191 446 E C 1.491 177.954 176.600 -0.229 0.000 0.982 446 E CA 1.075 57.500 56.400 0.041 0.000 0.809 446 E CB -0.562 29.258 29.700 0.200 0.000 0.756 446 E HN 0.684 nan 8.360 nan 0.000 0.459 447 F N 1.328 120.782 119.950 -0.826 0.000 2.120 447 F HA -0.233 4.293 4.527 -0.000 0.000 0.300 447 F C 1.578 177.194 175.800 -0.306 0.000 1.095 447 F CA 2.226 59.708 58.000 -0.863 0.000 1.249 447 F CB -0.164 38.129 39.000 -1.178 0.000 0.995 447 F HN 0.054 nan 8.300 nan 0.000 0.480 448 D N 0.260 120.614 120.400 -0.076 0.000 2.084 448 D HA -0.178 4.462 4.640 -0.000 0.000 0.196 448 D C 2.233 178.466 176.300 -0.111 0.000 0.985 448 D CA 1.572 55.565 54.000 -0.011 0.000 0.826 448 D CB -0.712 40.154 40.800 0.111 0.000 0.978 448 D HN 0.369 nan 8.370 nan 0.000 0.456 449 I N 0.253 120.778 120.570 -0.075 0.000 2.226 449 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 449 I C 2.091 178.117 176.117 -0.151 0.000 1.100 449 I CA 0.893 62.143 61.300 -0.082 0.000 1.374 449 I CB -0.382 37.600 38.000 -0.029 0.000 1.057 449 I HN -0.085 nan 8.210 nan 0.000 0.413 450 F N 0.851 120.601 119.950 -0.334 0.000 2.095 450 F HA -0.304 4.223 4.527 -0.000 0.000 0.298 450 F C 2.427 177.933 175.800 -0.490 0.000 1.104 450 F CA 2.467 60.233 58.000 -0.391 0.000 1.232 450 F CB -0.714 38.020 39.000 -0.443 0.000 0.987 450 F HN 0.042 nan 8.300 nan 0.000 0.475 451 T N 1.143 115.470 114.554 -0.378 0.000 2.720 451 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 451 T C 1.947 176.314 174.700 -0.554 0.000 1.037 451 T CA 1.663 63.465 62.100 -0.496 0.000 1.144 451 T CB -0.188 68.350 68.868 -0.550 0.000 0.864 451 T HN 0.190 nan 8.240 nan 0.000 0.444 452 M N 0.415 119.764 119.600 -0.418 0.000 2.229 452 M HA 0.124 4.604 4.480 -0.000 0.000 0.264 452 M C 2.269 178.312 176.300 -0.428 0.000 1.063 452 M CA 1.069 56.130 55.300 -0.398 0.000 1.114 452 M CB -1.090 31.366 32.600 -0.239 0.000 1.387 452 M HN 0.295 nan 8.290 nan 0.000 0.420 453 I N 0.264 120.579 120.570 -0.425 0.000 2.226 453 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 453 I C 2.511 178.338 176.117 -0.482 0.000 1.100 453 I CA 1.057 62.112 61.300 -0.409 0.000 1.374 453 I CB -0.424 37.328 38.000 -0.413 0.000 1.057 453 I HN 0.280 nan 8.210 nan 0.000 0.413 454 Q N 0.762 120.176 119.800 -0.644 0.000 2.079 454 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 454 Q C 2.455 178.024 176.000 -0.717 0.000 0.974 454 Q CA 1.777 57.209 55.803 -0.617 0.000 0.840 454 Q CB -0.836 27.521 28.738 -0.634 0.000 0.898 454 Q HN 0.545 nan 8.270 nan 0.000 0.430 455 A N 0.551 122.705 122.820 -1.111 0.000 1.917 455 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 455 A C 2.453 179.756 177.584 -0.468 0.000 1.182 455 A CA 1.930 53.239 52.037 -1.212 0.000 0.633 455 A CB -0.833 17.318 19.000 -1.415 0.000 0.819 455 A HN 0.222 nan 8.150 nan 0.000 0.448 456 V N 0.152 119.850 119.914 -0.360 0.000 2.295 456 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 456 V C 2.435 178.455 176.094 -0.122 0.000 1.049 456 V CA 2.387 64.567 62.300 -0.200 0.000 1.024 456 V CB -0.751 30.960 31.823 -0.187 0.000 0.648 456 V HN 0.587 nan 8.190 nan 0.000 0.447 457 K N 0.090 120.402 120.400 -0.146 0.000 2.063 457 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 457 K C 2.499 179.126 176.600 0.044 0.000 1.048 457 K CA 1.726 57.976 56.287 -0.063 0.000 0.928 457 K CB -0.487 31.957 32.500 -0.093 0.000 0.713 457 K HN 0.373 nan 8.250 nan 0.000 0.442 458 S N 1.266 117.018 115.700 0.086 0.000 2.359 458 S HA -0.198 4.272 4.470 -0.000 0.000 0.222 458 S C 1.734 176.554 174.600 0.367 0.000 1.038 458 S CA 1.704 60.097 58.200 0.321 0.000 1.051 458 S CB -0.366 63.137 63.200 0.505 0.000 0.944 458 S HN 0.254 nan 8.310 nan 0.000 0.433 459 N N 1.710 120.518 118.700 0.180 0.000 2.049 459 N HA -0.134 4.606 4.740 -0.000 0.000 0.198 459 N C 1.772 177.313 175.510 0.052 0.000 1.030 459 N CA 1.694 54.777 53.050 0.056 0.000 0.870 459 N CB -0.917 37.545 38.487 -0.042 0.000 1.045 459 N HN 0.438 nan 8.380 nan 0.000 0.434 460 L N 0.400 121.657 121.223 0.056 0.000 2.093 460 L HA -0.067 4.272 4.340 -0.000 0.000 0.208 460 L C 2.508 179.432 176.870 0.091 0.000 1.085 460 L CA 0.945 55.813 54.840 0.047 0.000 0.755 460 L CB -0.292 41.794 42.059 0.046 0.000 0.904 460 L HN 0.144 nan 8.230 nan 0.000 0.435 461 R N -0.611 119.992 120.500 0.172 0.000 2.075 461 R HA -0.176 4.164 4.340 -0.000 0.000 0.232 461 R C 2.287 178.741 176.300 0.256 0.000 1.126 461 R CA 1.608 57.841 56.100 0.222 0.000 0.963 461 R CB -0.407 30.072 30.300 0.297 0.000 0.858 461 R HN 0.187 nan 8.270 nan 0.000 0.435 462 F N 1.367 121.381 119.950 0.108 0.000 2.069 462 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 462 F C 1.706 177.348 175.800 -0.264 0.000 1.113 462 F CA 1.527 59.393 58.000 -0.222 0.000 1.214 462 F CB -0.075 38.552 39.000 -0.621 0.000 0.978 462 F HN -0.077 nan 8.300 nan 0.000 0.474 463 L N 0.129 121.284 121.223 -0.113 0.000 2.551 463 L HA -0.089 4.251 4.340 -0.000 0.000 0.228 463 L C 2.122 178.945 176.870 -0.079 0.000 1.153 463 L CA 0.914 55.529 54.840 -0.375 0.000 0.851 463 L CB -0.782 40.971 42.059 -0.510 0.000 0.959 463 L HN 0.305 nan 8.230 nan 0.000 0.451 464 S N -0.859 114.847 115.700 0.011 0.000 2.575 464 S HA 0.116 4.585 4.470 -0.000 0.000 0.215 464 S C 1.099 175.754 174.600 0.092 0.000 0.966 464 S CA -0.115 58.125 58.200 0.067 0.000 0.911 464 S CB -0.250 62.988 63.200 0.063 0.000 0.780 464 S HN 0.251 nan 8.310 nan 0.000 0.514 465 G N 0.979 109.849 108.800 0.117 0.000 2.544 465 G HA2 0.269 4.228 3.960 -0.000 0.000 0.242 465 G HA3 0.269 4.228 3.960 -0.000 0.000 0.242 465 G C 0.540 175.470 174.900 0.050 0.000 1.247 465 G CA -0.402 44.741 45.100 0.071 0.000 0.840 465 G HN 0.215 nan 8.290 nan 0.000 0.578 466 Q N 1.340 121.124 119.800 -0.027 0.000 2.133 466 Q HA -0.207 4.133 4.340 -0.000 0.000 0.208 466 Q C 2.768 178.683 176.000 -0.141 0.000 0.991 466 Q CA 2.458 58.226 55.803 -0.059 0.000 0.867 466 Q CB -0.757 27.938 28.738 -0.070 0.000 0.911 466 Q HN 0.691 nan 8.270 nan 0.000 0.417 467 A N -1.375 121.264 122.820 -0.301 0.000 2.024 467 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 467 A C 1.533 178.696 177.584 -0.702 0.000 1.164 467 A CA 1.465 53.145 52.037 -0.595 0.000 0.643 467 A CB -0.920 17.552 19.000 -0.880 0.000 0.806 467 A HN 0.602 nan 8.150 nan 0.000 0.451 468 W N -1.365 119.861 121.300 -0.123 0.000 3.211 468 W HA 0.436 5.096 4.660 -0.000 0.000 0.292 468 W C 2.301 178.855 176.519 0.059 0.000 1.268 468 W CA 0.085 57.414 57.345 -0.027 0.000 1.702 468 W CB 0.100 29.530 29.460 -0.049 0.000 1.092 468 W HN 0.314 nan 8.180 nan 0.000 0.643 469 A N 1.523 124.434 122.820 0.153 0.000 1.917 469 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 469 A C 1.608 179.269 177.584 0.129 0.000 1.182 469 A CA 2.315 54.425 52.037 0.122 0.000 0.633 469 A CB -0.792 18.240 19.000 0.053 0.000 0.819 469 A HN 0.327 nan 8.150 nan 0.000 0.448 470 D N -3.007 117.469 120.400 0.126 0.000 2.325 470 D HA 0.172 4.811 4.640 -0.000 0.000 0.225 470 D C 0.723 177.143 176.300 0.201 0.000 1.096 470 D CA -0.035 54.040 54.000 0.125 0.000 0.844 470 D CB -0.116 40.732 40.800 0.080 0.000 0.925 470 D HN 0.455 nan 8.370 nan 0.000 0.513 471 F N 0.427 120.440 119.950 0.106 0.000 2.182 471 F HA 0.240 4.766 4.527 -0.000 0.000 0.254 471 F C 0.165 176.085 175.800 0.200 0.000 0.972 471 F CA -0.224 57.867 58.000 0.152 0.000 1.182 471 F CB 0.283 39.395 39.000 0.186 0.000 1.382 471 F HN -0.290 nan 8.300 nan 0.000 0.718 472 V N 3.976 124.151 119.914 0.434 0.000 2.540 472 V HA -0.069 4.050 4.120 -0.000 0.000 0.297 472 V C 0.973 177.173 176.094 0.176 0.000 1.024 472 V CA 0.727 63.182 62.300 0.258 0.000 1.105 472 V CB 0.473 32.428 31.823 0.219 0.000 0.938 472 V HN 0.364 nan 8.190 nan 0.000 0.482 473 I N 4.129 124.798 120.570 0.165 0.000 2.681 473 I HA 0.229 4.398 4.170 -0.000 0.000 0.247 473 I C 0.981 177.201 176.117 0.172 0.000 1.091 473 I CA 0.524 61.901 61.300 0.130 0.000 1.442 473 I CB 0.144 38.189 38.000 0.075 0.000 1.219 473 I HN 0.784 nan 8.210 nan 0.000 0.451 474 R N 0.801 121.473 120.500 0.286 0.000 2.739 474 R HA 0.337 4.677 4.340 -0.000 0.000 0.266 474 R C -3.224 173.317 176.300 0.401 0.000 1.044 474 R CA -1.410 54.860 56.100 0.284 0.000 0.885 474 R CB 0.754 31.137 30.300 0.137 0.000 1.260 474 R HN -0.296 nan 8.270 nan 0.000 0.477 475 P HA 0.009 nan 4.420 nan 0.000 0.269 475 P C 0.171 177.565 177.300 0.157 0.000 1.209 475 P CA -0.300 62.687 63.100 -0.188 0.000 0.776 475 P CB 0.391 31.877 31.700 -0.358 0.000 0.876 476 F N 1.826 121.760 119.950 -0.027 0.000 2.126 476 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 476 F C 0.859 176.735 175.800 0.127 0.000 1.096 476 F CA 1.445 59.561 58.000 0.194 0.000 1.255 476 F CB -0.061 38.951 39.000 0.020 0.000 0.997 476 F HN 0.214 nan 8.300 nan 0.000 0.479 477 D N 1.270 121.658 120.400 -0.020 0.000 2.280 477 D HA 0.125 4.765 4.640 -0.000 0.000 0.243 477 D C -1.740 174.492 176.300 -0.114 0.000 1.129 477 D CA -1.995 51.955 54.000 -0.083 0.000 0.848 477 D CB 1.548 42.404 40.800 0.094 0.000 1.107 477 D HN 0.057 nan 8.370 nan 0.000 0.471 478 P HA -0.068 nan 4.420 nan 0.000 0.228 478 P C 0.966 178.226 177.300 -0.067 0.000 1.151 478 P CA 0.477 63.535 63.100 -0.069 0.000 0.770 478 P CB 0.318 31.983 31.700 -0.058 0.000 0.786 479 R N -0.330 120.133 120.500 -0.061 0.000 2.285 479 R HA 0.062 4.402 4.340 -0.000 0.000 0.213 479 R C 1.835 178.048 176.300 -0.144 0.000 1.068 479 R CA 0.615 56.680 56.100 -0.058 0.000 1.004 479 R CB -0.518 29.805 30.300 0.037 0.000 0.873 479 R HN 0.295 nan 8.270 nan 0.000 0.467 480 L N -0.192 120.893 121.223 -0.230 0.000 2.629 480 L HA 0.130 4.470 4.340 -0.000 0.000 0.230 480 L C 1.811 178.631 176.870 -0.083 0.000 1.151 480 L CA 0.109 54.810 54.840 -0.233 0.000 0.924 480 L CB -0.053 41.770 42.059 -0.394 0.000 1.137 480 L HN 0.085 nan 8.230 nan 0.000 0.457 481 R N 0.051 120.517 120.500 -0.056 0.000 2.090 481 R HA -0.047 4.292 4.340 -0.000 0.000 0.228 481 R C 0.364 176.663 176.300 -0.003 0.000 1.110 481 R CA 0.772 56.866 56.100 -0.010 0.000 0.973 481 R CB 0.120 30.413 30.300 -0.012 0.000 0.869 481 R HN 0.124 nan 8.270 nan 0.000 0.440 482 D N 0.019 120.407 120.400 -0.020 0.000 2.440 482 D HA 0.126 4.766 4.640 -0.000 0.000 0.239 482 D C -1.947 174.337 176.300 -0.027 0.000 1.084 482 D CA -2.546 51.444 54.000 -0.016 0.000 0.843 482 D CB 1.790 42.579 40.800 -0.018 0.000 1.097 482 D HN -0.118 nan 8.370 nan 0.000 0.531 483 P HA -0.010 nan 4.420 nan 0.000 0.237 483 P C 0.943 178.218 177.300 -0.043 0.000 1.178 483 P CA 0.609 63.689 63.100 -0.033 0.000 0.766 483 P CB 0.003 31.695 31.700 -0.013 0.000 0.876 484 T N -4.895 109.639 114.554 -0.033 0.000 3.107 484 T HA 0.042 4.391 4.350 -0.000 0.000 0.249 484 T C 0.494 175.170 174.700 -0.041 0.000 1.096 484 T CA -0.092 61.987 62.100 -0.035 0.000 1.012 484 T CB -0.568 68.287 68.868 -0.020 0.000 0.977 484 T HN -0.136 nan 8.240 nan 0.000 0.527 485 D N 1.501 121.876 120.400 -0.043 0.000 2.499 485 D HA 0.225 4.865 4.640 -0.000 0.000 0.225 485 D C 0.159 176.429 176.300 -0.051 0.000 1.124 485 D CA -0.562 53.414 54.000 -0.039 0.000 0.938 485 D CB 0.599 41.381 40.800 -0.031 0.000 1.014 485 D HN -0.026 nan 8.370 nan 0.000 0.517 486 D N 2.184 122.549 120.400 -0.058 0.000 2.178 486 D HA -0.111 4.528 4.640 -0.000 0.000 0.201 486 D C 1.875 178.141 176.300 -0.057 0.000 0.980 486 D CA 1.051 55.006 54.000 -0.075 0.000 0.842 486 D CB 0.071 40.821 40.800 -0.083 0.000 0.948 486 D HN 0.520 nan 8.370 nan 0.000 0.472 487 A N 0.995 123.792 122.820 -0.038 0.000 1.877 487 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 487 A C 2.313 179.886 177.584 -0.019 0.000 1.186 487 A CA 2.187 54.208 52.037 -0.025 0.000 0.620 487 A CB -0.804 18.185 19.000 -0.018 0.000 0.822 487 A HN 0.233 nan 8.150 nan 0.000 0.443 488 A N -0.155 122.654 122.820 -0.018 0.000 1.902 488 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 488 A C 2.131 179.722 177.584 0.012 0.000 1.181 488 A CA 1.517 53.551 52.037 -0.005 0.000 0.623 488 A CB -0.613 18.378 19.000 -0.015 0.000 0.818 488 A HN 0.502 nan 8.150 nan 0.000 0.443 489 I N -0.615 119.945 120.570 -0.017 0.000 2.179 489 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 489 I C 2.577 178.700 176.117 0.011 0.000 1.088 489 I CA 1.849 63.140 61.300 -0.015 0.000 1.357 489 I CB -0.381 37.570 38.000 -0.083 0.000 1.051 489 I HN 0.560 nan 8.210 nan 0.000 0.409 490 E N 0.663 120.844 120.200 -0.032 0.000 2.085 490 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 490 E C 2.262 178.850 176.600 -0.020 0.000 0.994 490 E CA 1.645 58.023 56.400 -0.037 0.000 0.801 490 E CB -0.046 29.626 29.700 -0.045 0.000 0.743 490 E HN 0.326 nan 8.360 nan 0.000 0.453 491 S N -0.763 114.934 115.700 -0.004 0.000 2.359 491 S HA -0.251 4.219 4.470 -0.000 0.000 0.224 491 S C 1.853 176.433 174.600 -0.032 0.000 1.035 491 S CA 1.480 59.673 58.200 -0.011 0.000 1.018 491 S CB -0.602 62.599 63.200 0.002 0.000 0.876 491 S HN 0.601 nan 8.310 nan 0.000 0.448 492 Y N 1.466 121.715 120.300 -0.084 0.000 2.128 492 Y HA -0.095 4.454 4.550 -0.000 0.000 0.284 492 Y C 1.939 177.761 175.900 -0.129 0.000 1.154 492 Y CA 1.912 59.954 58.100 -0.096 0.000 1.149 492 Y CB -0.431 37.970 38.460 -0.099 0.000 0.976 492 Y HN 0.312 nan 8.280 nan 0.000 0.505 493 I N -0.079 120.415 120.570 -0.127 0.000 2.252 493 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 493 I C 2.452 178.386 176.117 -0.305 0.000 1.102 493 I CA 1.480 62.660 61.300 -0.201 0.000 1.385 493 I CB -0.323 37.620 38.000 -0.095 0.000 1.064 493 I HN 0.140 nan 8.210 nan 0.000 0.414 494 R N 0.223 120.601 120.500 -0.202 0.000 2.153 494 R HA -0.090 4.250 4.340 -0.000 0.000 0.218 494 R C 1.471 177.631 176.300 -0.233 0.000 1.072 494 R CA 0.972 56.982 56.100 -0.151 0.000 0.990 494 R CB -0.194 30.088 30.300 -0.031 0.000 0.889 494 R HN 0.335 nan 8.270 nan 0.000 0.452 495 D N -0.055 120.186 120.400 -0.266 0.000 2.277 495 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 495 D C 1.095 177.180 176.300 -0.359 0.000 0.962 495 D CA 0.899 54.742 54.000 -0.262 0.000 0.865 495 D CB 0.083 40.757 40.800 -0.210 0.000 0.939 495 D HN 0.189 nan 8.370 nan 0.000 0.510 496 N N -0.226 118.150 118.700 -0.540 0.000 2.317 496 N HA 0.118 4.858 4.740 -0.000 0.000 0.199 496 N C 0.449 175.600 175.510 -0.597 0.000 1.145 496 N CA -0.047 52.680 53.050 -0.539 0.000 0.882 496 N CB 1.164 39.156 38.487 -0.826 0.000 1.113 496 N HN -0.033 nan 8.380 nan 0.000 0.486 497 A N 1.089 123.452 122.820 -0.762 0.000 2.425 497 A HA 0.265 4.585 4.320 -0.000 0.000 0.242 497 A C 0.615 177.621 177.584 -0.963 0.000 1.077 497 A CA 0.189 51.733 52.037 -0.822 0.000 0.781 497 A CB 0.614 19.136 19.000 -0.796 0.000 1.020 497 A HN 0.236 nan 8.150 nan 0.000 0.494 498 N N -1.265 117.081 118.700 -0.590 0.000 3.643 498 N HA 0.409 5.149 4.740 -0.000 0.000 0.336 498 N C -0.993 174.292 175.510 -0.374 0.000 1.559 498 N CA 0.299 53.143 53.050 -0.344 0.000 0.644 498 N CB 1.417 39.721 38.487 -0.305 0.000 2.909 498 N HN 0.708 nan 8.380 nan 0.000 0.592 499 T N 0.061 114.381 114.554 -0.390 0.000 2.906 499 T HA 0.526 4.876 4.350 -0.000 0.000 0.295 499 T C 0.034 174.146 174.700 -0.980 0.000 1.061 499 T CA -0.548 61.253 62.100 -0.499 0.000 1.000 499 T CB 0.878 69.645 68.868 -0.168 0.000 1.103 499 T HN 0.363 nan 8.240 nan 0.000 0.486 500 I N 3.332 123.376 120.570 -0.877 0.000 3.941 500 I HA 0.297 4.467 4.170 -0.000 0.000 0.335 500 I C -0.621 174.806 176.117 -1.149 0.000 1.402 500 I CA -0.260 60.359 61.300 -1.136 0.000 1.112 500 I CB -0.235 37.369 38.000 -0.659 0.000 1.043 500 I HN 0.825 nan 8.210 nan 0.000 0.395 501 F N -0.658 119.059 119.950 -0.387 0.000 2.852 501 F HA -0.222 4.305 4.527 -0.000 0.000 0.289 501 F C 0.094 175.840 175.800 -0.090 0.000 0.780 501 F CA 0.288 58.102 58.000 -0.310 0.000 1.431 501 F CB -2.983 35.856 39.000 -0.268 0.000 1.567 501 F HN 0.339 nan 8.300 nan 0.000 0.437 502 H N -0.637 118.457 119.070 0.040 0.000 2.551 502 H HA 0.249 4.805 4.556 -0.000 0.000 0.238 502 H C -2.273 173.036 175.328 -0.032 0.000 1.345 502 H CA -1.979 54.070 56.048 0.002 0.000 1.105 502 H CB 0.554 30.276 29.762 -0.067 0.000 1.805 502 H HN -0.035 nan 8.280 nan 0.000 0.553 503 P HA 0.009 nan 4.420 nan 0.000 0.271 503 P C 0.045 177.370 177.300 0.042 0.000 1.216 503 P CA 0.060 63.233 63.100 0.122 0.000 0.776 503 P CB 1.897 33.733 31.700 0.227 0.000 0.881 504 V N -2.034 117.877 119.914 -0.004 0.000 3.182 504 V HA 0.894 5.014 4.120 -0.000 0.000 0.308 504 V C 0.802 176.855 176.094 -0.068 0.000 1.240 504 V CA -0.166 62.108 62.300 -0.043 0.000 1.063 504 V CB 0.977 32.771 31.823 -0.049 0.000 1.076 504 V HN 0.753 nan 8.190 nan 0.000 0.446 505 G N 0.619 109.359 108.800 -0.100 0.000 2.213 505 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.226 505 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.226 505 G C 0.893 175.732 174.900 -0.101 0.000 0.992 505 G CA 1.031 46.063 45.100 -0.113 0.000 0.632 505 G HN 2.084 nan 8.290 nan 0.000 0.511 506 T N -1.825 112.669 114.554 -0.099 0.000 3.113 506 T HA 0.515 4.865 4.350 -0.000 0.000 0.263 506 T C 1.295 175.934 174.700 -0.101 0.000 1.143 506 T CA 1.631 63.670 62.100 -0.102 0.000 1.090 506 T CB 0.313 69.114 68.868 -0.111 0.000 0.922 506 T HN 1.708 nan 8.240 nan 0.000 0.521 507 A N 0.828 123.585 122.820 -0.105 0.000 3.176 507 A HA 0.639 4.959 4.320 -0.000 0.000 0.265 507 A C 0.372 177.883 177.584 -0.122 0.000 0.936 507 A CA -0.684 51.286 52.037 -0.111 0.000 1.033 507 A CB 0.235 19.166 19.000 -0.116 0.000 1.158 507 A HN 0.263 nan 8.150 nan 0.000 0.485 508 S N 1.793 117.436 115.700 -0.095 0.000 2.558 508 S HA 0.270 4.740 4.470 -0.000 0.000 0.291 508 S C 0.737 175.230 174.600 -0.178 0.000 1.306 508 S CA 0.269 58.415 58.200 -0.091 0.000 1.056 508 S CB 0.063 63.317 63.200 0.090 0.000 0.836 508 S HN 0.741 nan 8.310 nan 0.000 0.504 509 M N 2.123 121.591 119.600 -0.221 0.000 2.250 509 M HA 0.603 5.082 4.480 -0.000 0.000 0.344 509 M C -0.098 175.961 176.300 -0.401 0.000 1.150 509 M CA -0.326 54.813 55.300 -0.269 0.000 1.147 509 M CB 0.709 33.165 32.600 -0.240 0.000 1.498 509 M HN 0.555 nan 8.290 nan 0.000 0.461 510 S N 0.774 116.161 115.700 -0.521 0.000 2.671 510 S HA 0.786 5.256 4.470 -0.000 0.000 0.277 510 S C -3.153 171.211 174.600 -0.393 0.000 1.165 510 S CA -1.394 56.332 58.200 -0.789 0.000 0.822 510 S CB 1.237 63.365 63.200 -1.787 0.000 1.150 510 S HN 0.558 nan 8.310 nan 0.000 0.479 511 P HA 0.191 nan 4.420 nan 0.000 0.267 511 P C -0.559 176.659 177.300 -0.135 0.000 1.200 511 P CA -0.230 62.804 63.100 -0.109 0.000 0.772 511 P CB 0.243 31.927 31.700 -0.027 0.000 0.855 512 R N 2.048 122.507 120.500 -0.069 0.000 2.537 512 R HA 0.184 4.524 4.340 -0.000 0.000 0.281 512 R C 1.454 177.716 176.300 -0.063 0.000 0.988 512 R CA 1.014 57.077 56.100 -0.063 0.000 1.077 512 R CB -0.957 29.328 30.300 -0.026 0.000 0.932 512 R HN 0.913 nan 8.270 nan 0.000 0.409 513 G N 1.044 109.800 108.800 -0.073 0.000 2.234 513 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.260 513 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.260 513 G C 0.418 175.273 174.900 -0.076 0.000 0.987 513 G CA 0.134 45.200 45.100 -0.057 0.000 0.625 513 G HN 0.933 nan 8.290 nan 0.000 0.532 514 A N 0.386 123.122 122.820 -0.141 0.000 2.429 514 A HA 0.633 4.953 4.320 -0.000 0.000 0.242 514 A C 1.659 179.162 177.584 -0.135 0.000 1.088 514 A CA 1.425 53.365 52.037 -0.160 0.000 0.784 514 A CB 0.320 19.089 19.000 -0.385 0.000 1.038 514 A HN 1.733 nan 8.150 nan 0.000 0.501 515 S N 0.088 115.786 115.700 -0.004 0.000 2.540 515 S HA 0.167 4.637 4.470 -0.000 0.000 0.218 515 S C 0.208 174.881 174.600 0.122 0.000 0.977 515 S CA -0.205 58.022 58.200 0.045 0.000 0.918 515 S CB -0.233 63.014 63.200 0.078 0.000 0.806 515 S HN 0.896 nan 8.310 nan 0.000 0.496 516 W N 0.115 121.394 121.300 -0.034 0.000 2.850 516 W HA 0.707 5.367 4.660 -0.000 0.000 0.349 516 W C 0.205 176.689 176.519 -0.059 0.000 1.133 516 W CA -0.691 56.624 57.345 -0.051 0.000 1.117 516 W CB 0.455 29.881 29.460 -0.058 0.000 1.442 516 W HN 0.596 nan 8.180 nan 0.000 0.575 517 G N -0.618 108.160 108.800 -0.036 0.000 2.619 517 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.686 517 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.686 517 G C -0.739 174.041 174.900 -0.200 0.000 1.256 517 G CA -0.391 44.551 45.100 -0.264 0.000 0.826 517 G HN 0.905 nan 8.290 nan 0.000 0.619 518 V N 0.097 119.903 119.914 -0.180 0.000 3.379 518 V HA 0.384 4.504 4.120 -0.000 0.000 0.249 518 V C 1.409 177.409 176.094 -0.155 0.000 1.184 518 V CA 1.640 63.851 62.300 -0.147 0.000 1.106 518 V CB 0.458 32.208 31.823 -0.122 0.000 0.826 518 V HN 1.774 nan 8.190 nan 0.000 0.465 519 V N -3.074 116.735 119.914 -0.175 0.000 3.001 519 V HA 0.684 4.803 4.120 -0.000 0.000 0.314 519 V C -0.859 175.141 176.094 -0.156 0.000 1.099 519 V CA -0.913 61.303 62.300 -0.139 0.000 0.989 519 V CB 2.111 33.870 31.823 -0.106 0.000 1.040 519 V HN 0.052 nan 8.190 nan 0.000 0.434 520 D N 2.451 122.793 120.400 -0.098 0.000 2.398 520 D HA 0.376 5.016 4.640 -0.000 0.000 0.247 520 D C -1.823 174.470 176.300 -0.011 0.000 1.227 520 D CA -1.640 52.315 54.000 -0.074 0.000 0.980 520 D CB 1.187 41.965 40.800 -0.037 0.000 1.106 520 D HN 0.454 nan 8.370 nan 0.000 0.493 521 P HA -0.064 nan 4.420 nan 0.000 0.226 521 P C 0.277 177.759 177.300 0.303 0.000 1.153 521 P CA 0.896 64.125 63.100 0.215 0.000 0.777 521 P CB 0.107 31.952 31.700 0.242 0.000 0.794 522 D N -0.652 119.835 120.400 0.146 0.000 2.328 522 D HA -0.008 4.631 4.640 -0.000 0.000 0.226 522 D C 0.805 177.166 176.300 0.102 0.000 1.066 522 D CA -0.153 53.913 54.000 0.111 0.000 0.861 522 D CB -0.784 40.045 40.800 0.049 0.000 0.912 522 D HN 0.112 nan 8.370 nan 0.000 0.521 523 L N -1.985 119.296 121.223 0.097 0.000 4.639 523 L HA -0.216 4.124 4.340 -0.000 0.000 0.402 523 L C -0.135 176.741 176.870 0.010 0.000 1.069 523 L CA 0.356 55.227 54.840 0.051 0.000 1.105 523 L CB -1.946 40.160 42.059 0.080 0.000 2.122 523 L HN 0.053 nan 8.230 nan 0.000 0.662 524 K N 1.019 121.424 120.400 0.008 0.000 2.298 524 K HA 0.474 4.794 4.320 -0.000 0.000 0.280 524 K C 0.381 176.961 176.600 -0.034 0.000 1.032 524 K CA -0.569 55.716 56.287 -0.003 0.000 0.958 524 K CB 1.689 34.194 32.500 0.008 0.000 0.978 524 K HN -0.073 nan 8.250 nan 0.000 0.472 525 V N 4.213 124.101 119.914 -0.043 0.000 2.557 525 V HA -0.071 4.049 4.120 -0.000 0.000 0.301 525 V C 0.547 176.599 176.094 -0.070 0.000 1.026 525 V CA 0.299 62.553 62.300 -0.076 0.000 1.137 525 V CB -0.071 31.691 31.823 -0.101 0.000 0.917 525 V HN 0.643 nan 8.190 nan 0.000 0.484 526 K N 3.450 123.797 120.400 -0.088 0.000 2.326 526 K HA 0.435 4.754 4.320 -0.000 0.000 0.275 526 K C 1.221 177.783 176.600 -0.064 0.000 1.018 526 K CA 0.724 56.964 56.287 -0.078 0.000 0.962 526 K CB 0.670 33.108 32.500 -0.103 0.000 0.953 526 K HN 1.061 nan 8.250 nan 0.000 0.475 527 G N 0.586 109.364 108.800 -0.037 0.000 2.159 527 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.256 527 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.256 527 G C -0.197 174.712 174.900 0.014 0.000 0.977 527 G CA 0.047 45.137 45.100 -0.016 0.000 0.652 527 G HN 0.419 nan 8.290 nan 0.000 0.531 528 V N -0.214 119.710 119.914 0.017 0.000 3.007 528 V HA 0.680 4.800 4.120 -0.000 0.000 0.311 528 V C -0.986 175.156 176.094 0.080 0.000 1.120 528 V CA -0.711 61.635 62.300 0.077 0.000 0.980 528 V CB 2.207 34.026 31.823 -0.006 0.000 1.033 528 V HN 0.252 nan 8.190 nan 0.000 0.429 529 D N 1.266 121.739 120.400 0.121 0.000 2.248 529 D HA 0.638 5.278 4.640 -0.000 0.000 0.246 529 D C 0.738 177.103 176.300 0.108 0.000 1.027 529 D CA 1.085 55.137 54.000 0.086 0.000 0.853 529 D CB 1.774 42.611 40.800 0.061 0.000 1.243 529 D HN 0.979 nan 8.370 nan 0.000 0.462 530 G N 1.792 110.641 108.800 0.082 0.000 2.141 530 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.242 530 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.242 530 G C -0.349 174.611 174.900 0.100 0.000 0.982 530 G CA 0.259 45.409 45.100 0.083 0.000 0.662 530 G HN 0.490 nan 8.290 nan 0.000 0.527 531 L N 0.043 121.320 121.223 0.089 0.000 2.362 531 L HA 0.968 5.308 4.340 -0.000 0.000 0.275 531 L C -0.168 176.720 176.870 0.030 0.000 0.998 531 L CA -1.446 53.432 54.840 0.063 0.000 0.820 531 L CB 1.776 43.855 42.059 0.034 0.000 1.270 531 L HN 0.285 nan 8.230 nan 0.000 0.415 532 R N 4.246 124.764 120.500 0.029 0.000 2.628 532 R HA 0.729 5.069 4.340 -0.000 0.000 0.288 532 R C -1.749 174.546 176.300 -0.007 0.000 0.980 532 R CA -0.396 55.714 56.100 0.017 0.000 0.891 532 R CB 1.402 31.726 30.300 0.041 0.000 1.188 532 R HN 0.666 nan 8.270 nan 0.000 0.450 533 I N 4.676 125.231 120.570 -0.025 0.000 2.362 533 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 533 I C -0.796 175.296 176.117 -0.041 0.000 0.994 533 I CA -1.071 60.203 61.300 -0.044 0.000 1.158 533 I CB 2.011 39.968 38.000 -0.070 0.000 1.315 533 I HN 0.264 nan 8.210 nan 0.000 0.451 534 V N 5.477 125.364 119.914 -0.045 0.000 2.380 534 V HA 0.446 4.566 4.120 -0.000 0.000 0.272 534 V C -0.953 175.103 176.094 -0.062 0.000 1.011 534 V CA -0.381 61.894 62.300 -0.043 0.000 0.826 534 V CB 0.786 32.586 31.823 -0.040 0.000 1.040 534 V HN 0.949 nan 8.190 nan 0.000 0.441 535 D N 2.559 122.914 120.400 -0.075 0.000 2.879 535 D HA 0.242 4.882 4.640 -0.000 0.000 0.346 535 D C 1.157 177.399 176.300 -0.098 0.000 1.390 535 D CA 0.095 54.045 54.000 -0.083 0.000 0.838 535 D CB 0.831 41.584 40.800 -0.078 0.000 1.416 535 D HN 0.262 nan 8.370 nan 0.000 0.493 536 G N -0.631 108.117 108.800 -0.087 0.000 2.479 536 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.220 536 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.220 536 G C 1.284 176.119 174.900 -0.109 0.000 1.115 536 G CA 1.629 46.677 45.100 -0.088 0.000 0.757 536 G HN 0.756 nan 8.290 nan 0.000 0.560 537 S N 1.088 116.723 115.700 -0.108 0.000 2.447 537 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 537 S C 2.239 176.752 174.600 -0.146 0.000 1.006 537 S CA 1.263 59.395 58.200 -0.114 0.000 0.957 537 S CB -0.324 62.812 63.200 -0.106 0.000 0.773 537 S HN 0.632 nan 8.310 nan 0.000 0.507 538 I N -0.526 119.936 120.570 -0.180 0.000 3.251 538 I HA 0.355 4.524 4.170 -0.000 0.000 0.277 538 I C 0.366 176.288 176.117 -0.325 0.000 1.268 538 I CA -0.002 61.158 61.300 -0.232 0.000 1.449 538 I CB -0.627 37.234 38.000 -0.231 0.000 1.083 538 I HN 0.144 nan 8.210 nan 0.000 0.464 539 L N 3.743 124.761 121.223 -0.341 0.000 2.433 539 L HA 0.252 4.592 4.340 -0.000 0.000 0.275 539 L C -1.260 175.440 176.870 -0.283 0.000 1.128 539 L CA -1.104 53.448 54.840 -0.480 0.000 0.875 539 L CB 0.377 42.192 42.059 -0.408 0.000 1.171 539 L HN 0.073 nan 8.230 nan 0.000 0.463 540 P HA 0.034 nan 4.420 nan 0.000 0.249 540 P C -0.330 176.740 177.300 -0.383 0.000 1.229 540 P CA 0.608 63.587 63.100 -0.200 0.000 0.788 540 P CB 0.253 31.910 31.700 -0.072 0.000 1.072 541 F N -0.082 119.948 119.950 0.135 0.000 2.591 541 F HA 0.532 5.059 4.527 -0.000 0.000 0.309 541 F C 0.054 175.940 175.800 0.143 0.000 1.098 541 F CA -1.497 56.585 58.000 0.137 0.000 0.937 541 F CB 1.210 40.300 39.000 0.151 0.000 1.250 541 F HN -0.267 nan 8.300 nan 0.000 0.447 542 A N 4.409 127.417 122.820 0.314 0.000 2.548 542 A HA 0.419 4.738 4.320 -0.000 0.000 0.247 542 A C -2.296 175.482 177.584 0.323 0.000 1.067 542 A CA -0.696 51.482 52.037 0.234 0.000 0.757 542 A CB -0.825 18.323 19.000 0.246 0.000 0.996 542 A HN 0.364 nan 8.150 nan 0.000 0.504 543 P HA 0.141 nan 4.420 nan 0.000 0.278 543 P C -0.460 177.060 177.300 0.367 0.000 1.266 543 P CA -0.805 62.457 63.100 0.271 0.000 0.807 543 P CB 0.642 32.496 31.700 0.256 0.000 1.094 544 N N -0.089 118.739 118.700 0.213 0.000 3.254 544 N HA 0.341 5.081 4.740 -0.000 0.000 0.308 544 N C -0.369 175.143 175.510 0.002 0.000 1.281 544 N CA 0.251 53.410 53.050 0.181 0.000 1.212 544 N CB -0.353 38.123 38.487 -0.018 0.000 1.478 544 N HN 0.450 nan 8.380 nan 0.000 0.548 545 A N 0.901 123.939 122.820 0.363 0.000 2.585 545 A HA 0.205 4.525 4.320 -0.000 0.000 0.299 545 A C -1.128 176.752 177.584 0.493 0.000 1.047 545 A CA -0.869 51.366 52.037 0.331 0.000 0.723 545 A CB 0.378 19.510 19.000 0.220 0.000 1.275 545 A HN 0.458 nan 8.150 nan 0.000 0.408 546 H N 1.391 120.578 119.070 0.194 0.000 3.038 546 H HA 0.213 4.769 4.556 -0.000 0.000 0.338 546 H C 1.856 177.066 175.328 -0.198 0.000 1.041 546 H CA 1.369 57.239 56.048 -0.298 0.000 1.394 546 H CB 0.544 30.281 29.762 -0.042 0.000 1.357 546 H HN 0.735 nan 8.280 nan 0.000 0.600 547 T N -0.715 113.688 114.554 -0.252 0.000 3.113 547 T HA -0.123 4.227 4.350 -0.000 0.000 0.256 547 T C 1.634 176.373 174.700 0.066 0.000 1.131 547 T CA 0.558 62.649 62.100 -0.015 0.000 1.074 547 T CB -0.013 68.846 68.868 -0.015 0.000 0.944 547 T HN 0.746 nan 8.240 nan 0.000 0.516 548 Q N 1.752 121.615 119.800 0.105 0.000 2.084 548 Q HA -0.011 4.329 4.340 -0.000 0.000 0.202 548 Q C 2.439 178.553 176.000 0.190 0.000 0.978 548 Q CA 1.772 57.636 55.803 0.102 0.000 0.844 548 Q CB -1.146 27.738 28.738 0.243 0.000 0.898 548 Q HN 0.467 nan 8.270 nan 0.000 0.426 549 G N 1.822 110.780 108.800 0.263 0.000 2.480 549 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 549 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 549 G C -0.759 174.346 174.900 0.343 0.000 1.200 549 G CA 0.929 46.227 45.100 0.330 0.000 0.782 549 G HN 0.458 nan 8.290 nan 0.000 0.554 550 P HA -0.028 nan 4.420 nan 0.000 0.216 550 P C 1.953 179.426 177.300 0.288 0.000 1.153 550 P CA 0.779 64.138 63.100 0.432 0.000 0.848 550 P CB -0.110 31.839 31.700 0.415 0.000 0.787 551 I N -2.369 118.290 120.570 0.149 0.000 2.286 551 I HA -0.277 3.892 4.170 -0.000 0.000 0.248 551 I C 2.339 178.487 176.117 0.053 0.000 1.115 551 I CA 1.512 62.835 61.300 0.038 0.000 1.392 551 I CB -0.765 37.199 38.000 -0.060 0.000 1.065 551 I HN -0.107 nan 8.210 nan 0.000 0.418 552 Y N 0.951 121.314 120.300 0.105 0.000 2.224 552 Y HA -0.200 4.349 4.550 -0.000 0.000 0.289 552 Y C 2.376 178.316 175.900 0.066 0.000 1.146 552 Y CA 1.247 59.393 58.100 0.076 0.000 1.182 552 Y CB -0.624 37.915 38.460 0.131 0.000 0.983 552 Y HN 0.098 nan 8.280 nan 0.000 0.524 553 L N -1.633 119.770 121.223 0.301 0.000 2.083 553 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 553 L C 2.269 179.241 176.870 0.170 0.000 1.083 553 L CA 0.858 55.833 54.840 0.226 0.000 0.752 553 L CB -0.961 41.274 42.059 0.293 0.000 0.899 553 L HN 0.039 nan 8.230 nan 0.000 0.433 554 V N 0.473 120.528 119.914 0.235 0.000 2.295 554 V HA -0.208 3.911 4.120 -0.000 0.000 0.246 554 V C 2.703 178.838 176.094 0.069 0.000 1.049 554 V CA 2.050 64.484 62.300 0.224 0.000 1.024 554 V CB -1.332 30.534 31.823 0.070 0.000 0.648 554 V HN 0.561 nan 8.190 nan 0.000 0.447 555 G N -0.049 108.757 108.800 0.010 0.000 2.491 555 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 555 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 555 G C 1.676 176.497 174.900 -0.133 0.000 1.180 555 G CA 0.931 45.994 45.100 -0.060 0.000 0.774 555 G HN 0.347 nan 8.290 nan 0.000 0.562 556 K N 0.545 120.848 120.400 -0.161 0.000 1.991 556 K HA -0.160 4.160 4.320 -0.000 0.000 0.212 556 K C 2.638 178.784 176.600 -0.757 0.000 1.049 556 K CA 1.892 57.970 56.287 -0.349 0.000 0.932 556 K CB -0.802 31.551 32.500 -0.246 0.000 0.717 556 K HN 0.634 nan 8.250 nan 0.000 0.441 557 Q N 0.055 119.257 119.800 -0.997 0.000 2.084 557 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 557 Q C 1.965 177.739 176.000 -0.377 0.000 0.978 557 Q CA 2.180 57.447 55.803 -0.894 0.000 0.844 557 Q CB -0.615 27.615 28.738 -0.847 0.000 0.898 557 Q HN 0.285 nan 8.270 nan 0.000 0.426 558 G N 0.362 109.051 108.800 -0.185 0.000 2.418 558 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 558 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 558 G C 1.550 176.378 174.900 -0.121 0.000 1.158 558 G CA 0.902 45.953 45.100 -0.081 0.000 0.771 558 G HN 0.565 nan 8.290 nan 0.000 0.545 559 A N 1.030 123.758 122.820 -0.154 0.000 1.908 559 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 559 A C 2.118 179.636 177.584 -0.109 0.000 1.181 559 A CA 2.201 54.154 52.037 -0.139 0.000 0.627 559 A CB -0.485 18.443 19.000 -0.120 0.000 0.818 559 A HN 0.282 nan 8.150 nan 0.000 0.445 560 D N -0.062 120.275 120.400 -0.105 0.000 2.117 560 D HA -0.107 4.532 4.640 -0.000 0.000 0.197 560 D C 1.936 178.209 176.300 -0.045 0.000 0.987 560 D CA 1.000 54.976 54.000 -0.040 0.000 0.829 560 D CB -0.350 40.468 40.800 0.029 0.000 0.961 560 D HN 0.440 nan 8.370 nan 0.000 0.460 561 L N 0.341 121.518 121.223 -0.076 0.000 2.042 561 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 561 L C 2.457 179.313 176.870 -0.023 0.000 1.076 561 L CA 0.844 55.654 54.840 -0.050 0.000 0.749 561 L CB -0.345 41.684 42.059 -0.051 0.000 0.893 561 L HN 0.072 nan 8.230 nan 0.000 0.432 562 I N -0.392 120.151 120.570 -0.045 0.000 2.179 562 I HA -0.293 3.876 4.170 -0.000 0.000 0.242 562 I C 2.493 178.602 176.117 -0.012 0.000 1.088 562 I CA 1.396 62.671 61.300 -0.041 0.000 1.357 562 I CB -0.347 37.559 38.000 -0.157 0.000 1.051 562 I HN 0.184 nan 8.210 nan 0.000 0.409 563 K N 1.070 121.449 120.400 -0.034 0.000 2.103 563 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 563 K C 2.180 178.797 176.600 0.029 0.000 1.048 563 K CA 1.477 57.767 56.287 0.006 0.000 0.930 563 K CB -0.298 32.202 32.500 0.001 0.000 0.716 563 K HN 0.328 nan 8.250 nan 0.000 0.444 564 A N 1.501 124.331 122.820 0.017 0.000 2.067 564 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 564 A C 1.062 178.664 177.584 0.031 0.000 1.158 564 A CA 1.449 53.498 52.037 0.019 0.000 0.661 564 A CB -0.058 18.947 19.000 0.007 0.000 0.801 564 A HN 0.156 nan 8.150 nan 0.000 0.452 565 D N -0.379 120.049 120.400 0.046 0.000 2.342 565 D HA 0.104 4.744 4.640 -0.000 0.000 0.221 565 D C 0.648 176.992 176.300 0.074 0.000 1.101 565 D CA 0.100 54.134 54.000 0.057 0.000 0.837 565 D CB 0.133 40.972 40.800 0.066 0.000 0.938 565 D HN 0.582 nan 8.370 nan 0.000 0.508 566 Q N 0.000 119.849 119.800 0.082 0.000 2.315 566 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 566 Q CA 0.000 55.858 55.803 0.092 0.000 1.022 566 Q CB 0.000 28.803 28.738 0.108 0.000 1.108 566 Q HN 0.000 nan 8.270 nan 0.000 0.481