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 1jet_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADVPAGVQLA DKQTLVRNNG SEVQSLDPHK IEGVPESNVS RDLFEGLLIS DATA SEQUENCE DVEGHPSPGV AEKWENKDFK VWTFHLRENA KWSDGTPVTA HDFVYSWQRL DATA SEQUENCE ADPNTASPYA SYLQYGHIAN IDDIIAGKKP ATDLGVKALD DHTFEVTLSE DATA SEQUENCE PVPYFYKLLV HPSVSPVPKS AVEKFGDKWT QPANIVTNGA YKLKNWVVNE DATA SEQUENCE RIVLERNPQY WDNAKTVINQ VTYLPISSEV TDVNRYRSGE IDMTYNNMPI DATA SEQUENCE ELFQKLKKEI PNEVRVDPYL CTYYYEINNQ KAPFNDVRVR TALKLALDRD DATA SEQUENCE IIVNKVKNQG DLPAYSYTPP YTDGAKLVEP EWFKWSQQKR NEEAKKLLAE DATA SEQUENCE AGFTADKPLT FDLLYNTSDL HKKLAIAVAS IWKKNLGVNV NLENQEWKTF DATA SEQUENCE LDTRHQGTFD VARAGWCADY NEPTSFLNTM LSDSSNNTAH YKSPAFDKLI DATA SEQUENCE ADTLKVADDT QRSELYAKAE QQLDKDSAIV PVYYYVNARL VKPWVGGYTG DATA SEQUENCE KDPLDNIYVK NLYIIKH 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.632 177.584 0.080 0.000 1.274 1 A CA 0.000 52.122 52.037 0.142 0.000 0.836 1 A CB 0.000 19.133 19.000 0.222 0.000 0.831 2 D N 2.028 122.486 120.400 0.096 0.000 2.462 2 D HA 0.396 5.078 4.640 0.071 0.000 0.249 2 D C -0.391 175.876 176.300 -0.056 0.000 1.117 2 D CA 0.045 54.062 54.000 0.027 0.000 0.900 2 D CB 1.613 42.447 40.800 0.055 0.000 1.039 2 D HN 0.277 nan 8.370 nan 0.000 0.516 3 V N 4.097 123.880 119.914 -0.217 0.000 2.439 3 V HA 0.136 4.298 4.120 0.071 0.000 0.271 3 V C -1.709 174.245 176.094 -0.233 0.000 1.040 3 V CA -1.229 60.781 62.300 -0.482 0.000 1.002 3 V CB 0.182 31.688 31.823 -0.529 0.000 1.000 3 V HN 0.297 nan 8.190 nan 0.000 0.477 4 P HA 0.128 nan 4.420 nan 0.000 0.265 4 P C 0.018 177.285 177.300 -0.055 0.000 1.187 4 P CA 0.069 63.140 63.100 -0.048 0.000 0.766 4 P CB 0.387 32.099 31.700 0.020 0.000 0.820 5 A N 2.756 125.560 122.820 -0.027 0.000 2.540 5 A HA 0.404 4.767 4.320 0.071 0.000 0.239 5 A C 1.602 179.179 177.584 -0.011 0.000 1.061 5 A CA 0.717 52.741 52.037 -0.022 0.000 0.758 5 A CB -1.107 17.887 19.000 -0.009 0.000 0.991 5 A HN 0.951 nan 8.150 nan 0.000 0.502 6 G N 0.352 109.145 108.800 -0.012 0.000 2.225 6 G HA2 -0.099 3.903 3.960 0.071 0.000 0.254 6 G HA3 -0.099 3.903 3.960 0.071 0.000 0.254 6 G C 0.649 175.554 174.900 0.008 0.000 0.988 6 G CA 0.658 45.759 45.100 0.001 0.000 0.625 6 G HN 2.390 nan 8.290 nan 0.000 0.527 7 V N -0.269 119.644 119.914 -0.001 0.000 2.649 7 V HA 0.699 4.862 4.120 0.071 0.000 0.292 7 V C 0.202 176.307 176.094 0.018 0.000 1.055 7 V CA -0.384 61.933 62.300 0.028 0.000 1.023 7 V CB 1.385 33.240 31.823 0.055 0.000 0.992 7 V HN 0.380 nan 8.190 nan 0.000 0.480 8 Q N 4.887 124.716 119.800 0.048 0.000 2.296 8 Q HA 0.538 4.920 4.340 0.071 0.000 0.257 8 Q C -0.767 175.271 176.000 0.064 0.000 0.942 8 Q CA -0.324 55.503 55.803 0.039 0.000 0.939 8 Q CB 1.850 30.610 28.738 0.036 0.000 1.198 8 Q HN 0.776 nan 8.270 nan 0.000 0.429 9 L N 1.932 123.181 121.223 0.043 0.000 2.350 9 L HA 0.462 4.844 4.340 0.071 0.000 0.275 9 L C 0.403 177.304 176.870 0.052 0.000 1.099 9 L CA -0.689 54.194 54.840 0.071 0.000 0.808 9 L CB 0.979 43.066 42.059 0.045 0.000 1.149 9 L HN 0.667 nan 8.230 nan 0.000 0.442 10 A N 1.780 124.643 122.820 0.071 0.000 2.466 10 A HA 0.028 4.390 4.320 0.071 0.000 0.238 10 A C 0.635 178.216 177.584 -0.005 0.000 1.074 10 A CA -0.226 51.815 52.037 0.008 0.000 0.774 10 A CB 0.172 19.177 19.000 0.008 0.000 1.015 10 A HN 0.850 nan 8.150 nan 0.000 0.498 11 D N -0.049 120.325 120.400 -0.043 0.000 2.117 11 D HA -0.026 4.657 4.640 0.071 0.000 0.198 11 D C 0.632 176.919 176.300 -0.021 0.000 0.982 11 D CA 1.424 55.405 54.000 -0.032 0.000 0.828 11 D CB 0.146 40.917 40.800 -0.048 0.000 0.967 11 D HN 0.502 nan 8.370 nan 0.000 0.464 12 K N 1.322 121.701 120.400 -0.035 0.000 2.253 12 K HA 0.128 4.490 4.320 0.071 0.000 0.277 12 K C -0.607 176.000 176.600 0.011 0.000 1.053 12 K CA -0.291 55.985 56.287 -0.019 0.000 0.892 12 K CB 0.692 33.167 32.500 -0.041 0.000 1.102 12 K HN -0.105 nan 8.250 nan 0.000 0.469 13 Q N 3.258 123.078 119.800 0.033 0.000 2.901 13 Q HA 0.116 4.498 4.340 0.071 0.000 0.265 13 Q C -0.489 175.545 176.000 0.057 0.000 1.263 13 Q CA -0.140 55.702 55.803 0.064 0.000 1.088 13 Q CB 0.995 29.782 28.738 0.082 0.000 1.339 13 Q HN 0.682 nan 8.270 nan 0.000 0.546 14 T N -1.629 112.950 114.554 0.041 0.000 2.907 14 T HA 0.772 5.164 4.350 0.071 0.000 0.292 14 T C -0.637 174.069 174.700 0.009 0.000 1.043 14 T CA -0.892 61.217 62.100 0.016 0.000 1.003 14 T CB 1.925 70.793 68.868 0.001 0.000 1.084 14 T HN 0.223 nan 8.240 nan 0.000 0.483 15 L N 1.739 122.936 121.223 -0.044 0.000 2.422 15 L HA 0.808 5.191 4.340 0.071 0.000 0.264 15 L C -1.558 175.227 176.870 -0.142 0.000 0.984 15 L CA -0.729 54.066 54.840 -0.076 0.000 0.819 15 L CB 2.387 44.372 42.059 -0.123 0.000 1.330 15 L HN 0.713 nan 8.230 nan 0.000 0.410 16 V N 4.852 124.692 119.914 -0.123 0.000 2.444 16 V HA 0.627 4.789 4.120 0.071 0.000 0.294 16 V C -0.332 175.652 176.094 -0.182 0.000 1.022 16 V CA -0.561 61.648 62.300 -0.152 0.000 0.850 16 V CB 1.616 33.394 31.823 -0.074 0.000 0.992 16 V HN 0.708 nan 8.190 nan 0.000 0.426 17 R N 2.876 123.196 120.500 -0.300 0.000 2.599 17 R HA 0.458 4.840 4.340 0.071 0.000 0.295 17 R C -0.609 175.608 176.300 -0.137 0.000 0.963 17 R CA -0.852 55.090 56.100 -0.263 0.000 0.883 17 R CB 1.963 31.979 30.300 -0.472 0.000 1.171 17 R HN 0.694 nan 8.270 nan 0.000 0.450 18 N N 0.716 119.395 118.700 -0.035 0.000 2.530 18 N HA 0.025 4.807 4.740 0.071 0.000 0.277 18 N C -0.084 175.463 175.510 0.062 0.000 1.168 18 N CA 0.012 53.066 53.050 0.008 0.000 0.979 18 N CB 0.827 39.328 38.487 0.023 0.000 1.141 18 N HN 0.476 nan 8.380 nan 0.000 0.459 19 N N 1.070 119.745 118.700 -0.042 0.000 2.238 19 N HA 0.227 5.009 4.740 0.071 0.000 0.235 19 N C 0.718 175.782 175.510 -0.744 0.000 1.209 19 N CA 0.543 53.499 53.050 -0.156 0.000 0.879 19 N CB 0.124 38.604 38.487 -0.011 0.000 1.136 19 N HN 0.759 nan 8.380 nan 0.000 0.517 20 G N -0.659 107.605 108.800 -0.893 0.000 2.480 20 G HA2 -0.289 3.713 3.960 0.071 0.000 0.246 20 G HA3 -0.289 3.713 3.960 0.071 0.000 0.246 20 G C 0.199 174.724 174.900 -0.626 0.000 1.073 20 G CA 0.815 45.254 45.100 -1.102 0.000 0.643 20 G HN 0.507 nan 8.290 nan 0.000 0.525 21 S N -1.197 114.202 115.700 -0.502 0.000 2.636 21 S HA 0.492 5.004 4.470 0.071 0.000 0.266 21 S C -1.146 173.373 174.600 -0.135 0.000 1.147 21 S CA -0.247 57.787 58.200 -0.277 0.000 0.815 21 S CB 1.734 64.749 63.200 -0.308 0.000 1.119 21 S HN 0.747 nan 8.310 nan 0.000 0.470 22 E N 2.129 122.336 120.200 0.012 0.000 2.344 22 E HA 0.373 4.765 4.350 0.071 0.000 0.270 22 E C 0.077 176.771 176.600 0.157 0.000 1.021 22 E CA -0.548 55.911 56.400 0.098 0.000 0.887 22 E CB 0.510 30.295 29.700 0.143 0.000 0.997 22 E HN 0.520 nan 8.360 nan 0.000 0.429 23 V N 2.664 122.646 119.914 0.114 0.000 2.999 23 V HA -0.031 4.131 4.120 0.071 0.000 0.307 23 V C 1.059 177.281 176.094 0.215 0.000 1.084 23 V CA 0.065 62.438 62.300 0.122 0.000 1.155 23 V CB 0.845 32.629 31.823 -0.066 0.000 0.975 23 V HN 0.873 nan 8.190 nan 0.000 0.490 24 Q N 1.717 121.642 119.800 0.209 0.000 2.079 24 Q HA 0.073 4.455 4.340 0.071 0.000 0.200 24 Q C 1.079 177.169 176.000 0.151 0.000 0.974 24 Q CA 1.703 57.598 55.803 0.153 0.000 0.840 24 Q CB 0.147 28.940 28.738 0.091 0.000 0.898 24 Q HN 0.979 nan 8.270 nan 0.000 0.430 25 S N -2.394 113.372 115.700 0.112 0.000 2.627 25 S HA 0.298 4.810 4.470 0.071 0.000 0.268 25 S C -0.922 173.633 174.600 -0.075 0.000 1.130 25 S CA -0.774 57.486 58.200 0.100 0.000 0.819 25 S CB 0.271 63.514 63.200 0.072 0.000 1.100 25 S HN 0.173 nan 8.310 nan 0.000 0.465 26 L N 1.254 122.383 121.223 -0.156 0.000 2.693 26 L HA 0.373 4.755 4.340 0.071 0.000 0.235 26 L C 0.125 176.890 176.870 -0.175 0.000 1.127 26 L CA 0.000 54.688 54.840 -0.254 0.000 0.914 26 L CB 0.256 42.063 42.059 -0.420 0.000 1.193 26 L HN 0.587 nan 8.230 nan 0.000 0.502 27 D N 1.378 121.686 120.400 -0.152 0.000 2.325 27 D HA 0.106 4.788 4.640 0.071 0.000 0.251 27 D C -1.677 174.569 176.300 -0.089 0.000 1.196 27 D CA -1.961 52.012 54.000 -0.044 0.000 0.866 27 D CB 1.883 42.771 40.800 0.147 0.000 1.101 27 D HN -0.118 nan 8.370 nan 0.000 0.476 28 P HA -0.120 nan 4.420 nan 0.000 0.220 28 P C 0.337 177.558 177.300 -0.132 0.000 1.144 28 P CA 1.319 64.243 63.100 -0.293 0.000 0.800 28 P CB 0.048 31.451 31.700 -0.494 0.000 0.772 29 H N -1.727 117.330 119.070 -0.021 0.000 2.539 29 H HA 0.185 4.783 4.556 0.070 0.000 0.269 29 H C 0.943 176.288 175.328 0.029 0.000 0.980 29 H CA 0.018 56.066 56.048 -0.001 0.000 1.152 29 H CB 0.346 30.107 29.762 -0.002 0.000 1.407 29 H HN -0.054 nan 8.280 nan 0.000 0.564 30 K N 1.121 121.600 120.400 0.132 0.000 2.478 30 K HA 0.222 4.584 4.320 0.071 0.000 0.205 30 K C 0.025 176.668 176.600 0.072 0.000 1.033 30 K CA 0.031 56.375 56.287 0.094 0.000 1.091 30 K CB 0.809 33.365 32.500 0.094 0.000 0.844 30 K HN 0.389 nan 8.250 nan 0.000 0.507 31 I N -1.978 118.641 120.570 0.083 0.000 2.846 31 I HA 0.371 4.583 4.170 0.071 0.000 0.307 31 I C 0.495 176.732 176.117 0.199 0.000 1.053 31 I CA -0.654 60.699 61.300 0.088 0.000 1.050 31 I CB 2.036 40.045 38.000 0.015 0.000 1.239 31 I HN -0.002 nan 8.210 nan 0.000 0.439 32 E N 2.327 122.662 120.200 0.226 0.000 2.673 32 E HA 0.286 4.678 4.350 0.071 0.000 0.215 32 E C 0.307 177.100 176.600 0.321 0.000 0.935 32 E CA -0.322 56.331 56.400 0.421 0.000 1.341 32 E CB 0.766 30.678 29.700 0.354 0.000 1.277 32 E HN 0.822 nan 8.360 nan 0.000 0.667 33 G N 0.763 109.728 108.800 0.274 0.000 2.521 33 G HA2 0.389 4.392 3.960 0.071 0.000 0.323 33 G HA3 0.389 4.392 3.960 0.071 0.000 0.323 33 G C 0.843 175.856 174.900 0.188 0.000 1.211 33 G CA -0.417 44.912 45.100 0.383 0.000 0.979 33 G HN -0.045 nan 8.290 nan 0.000 0.490 34 V N 1.254 121.266 119.914 0.164 0.000 2.295 34 V HA -0.087 4.076 4.120 0.071 0.000 0.246 34 V C -0.090 176.010 176.094 0.009 0.000 1.049 34 V CA 2.173 64.499 62.300 0.043 0.000 1.024 34 V CB -0.923 30.939 31.823 0.066 0.000 0.648 34 V HN 0.526 nan 8.190 nan 0.000 0.447 35 P HA -0.135 nan 4.420 nan 0.000 0.215 35 P C 1.466 178.676 177.300 -0.150 0.000 1.153 35 P CA 1.336 64.339 63.100 -0.161 0.000 0.853 35 P CB 0.022 31.510 31.700 -0.354 0.000 0.788 36 E N -0.578 119.598 120.200 -0.041 0.000 2.051 36 E HA -0.114 4.278 4.350 0.071 0.000 0.192 36 E C 2.158 178.656 176.600 -0.171 0.000 0.991 36 E CA 1.529 57.879 56.400 -0.083 0.000 0.799 36 E CB -1.105 28.607 29.700 0.020 0.000 0.748 36 E HN 0.149 nan 8.360 nan 0.000 0.449 37 S N 0.825 116.427 115.700 -0.162 0.000 2.402 37 S HA -0.090 4.423 4.470 0.071 0.000 0.229 37 S C 1.572 176.019 174.600 -0.255 0.000 1.021 37 S CA 0.737 58.797 58.200 -0.234 0.000 0.974 37 S CB -0.273 62.774 63.200 -0.255 0.000 0.800 37 S HN 0.237 nan 8.310 nan 0.000 0.484 38 N N 1.535 120.089 118.700 -0.243 0.000 2.069 38 N HA -0.073 4.709 4.740 0.071 0.000 0.191 38 N C 1.703 176.927 175.510 -0.475 0.000 1.031 38 N CA 1.140 54.022 53.050 -0.281 0.000 0.852 38 N CB -0.670 37.701 38.487 -0.193 0.000 1.018 38 N HN 0.244 nan 8.380 nan 0.000 0.423 39 V N 0.095 119.633 119.914 -0.627 0.000 2.453 39 V HA -0.090 4.072 4.120 0.071 0.000 0.247 39 V C 2.443 178.324 176.094 -0.355 0.000 1.048 39 V CA 1.343 63.219 62.300 -0.707 0.000 1.049 39 V CB -0.665 30.737 31.823 -0.701 0.000 0.672 39 V HN 0.285 nan 8.190 nan 0.000 0.457 40 S N -0.169 115.385 115.700 -0.243 0.000 2.370 40 S HA -0.235 4.278 4.470 0.071 0.000 0.226 40 S C 2.187 176.755 174.600 -0.053 0.000 1.033 40 S CA 1.657 59.817 58.200 -0.067 0.000 1.011 40 S CB -0.266 62.881 63.200 -0.089 0.000 0.852 40 S HN 0.539 nan 8.310 nan 0.000 0.457 41 R N 0.426 120.824 120.500 -0.170 0.000 2.152 41 R HA -0.059 4.323 4.340 0.071 0.000 0.232 41 R C 1.527 177.802 176.300 -0.043 0.000 1.117 41 R CA 1.486 57.481 56.100 -0.175 0.000 0.981 41 R CB -0.299 29.664 30.300 -0.562 0.000 0.870 41 R HN 0.425 nan 8.270 nan 0.000 0.451 42 D N 0.087 120.444 120.400 -0.070 0.000 2.249 42 D HA -0.021 4.661 4.640 0.071 0.000 0.205 42 D C 1.785 178.080 176.300 -0.008 0.000 0.962 42 D CA 0.864 54.890 54.000 0.044 0.000 0.860 42 D CB 0.248 41.043 40.800 -0.007 0.000 0.955 42 D HN 0.204 nan 8.370 nan 0.000 0.505 43 L N -1.361 119.775 121.223 -0.145 0.000 2.316 43 L HA 0.157 4.539 4.340 0.071 0.000 0.207 43 L C 0.018 176.542 176.870 -0.577 0.000 1.070 43 L CA 0.341 54.943 54.840 -0.398 0.000 0.820 43 L CB 0.277 41.967 42.059 -0.614 0.000 0.992 43 L HN -0.168 nan 8.230 nan 0.000 0.466 44 F N -0.113 119.853 119.950 0.027 0.000 2.507 44 F HA 0.402 4.971 4.527 0.070 0.000 0.325 44 F C 0.038 175.872 175.800 0.057 0.000 1.116 44 F CA -0.836 57.194 58.000 0.050 0.000 0.930 44 F CB 1.608 40.648 39.000 0.066 0.000 1.146 44 F HN -0.190 nan 8.300 nan 0.000 0.447 45 E N 1.927 122.261 120.200 0.223 0.000 2.176 45 E HA 0.612 5.004 4.350 0.071 0.000 0.267 45 E C -0.106 176.667 176.600 0.288 0.000 0.893 45 E CA -0.561 55.991 56.400 0.252 0.000 0.761 45 E CB 1.509 31.381 29.700 0.286 0.000 1.133 45 E HN 0.815 nan 8.360 nan 0.000 0.409 46 G N 2.936 111.923 108.800 0.312 0.000 2.509 46 G HA2 0.141 4.144 3.960 0.071 0.000 0.269 46 G HA3 0.141 4.144 3.960 0.071 0.000 0.269 46 G C 0.874 175.938 174.900 0.274 0.000 1.416 46 G CA -0.494 44.855 45.100 0.416 0.000 1.052 46 G HN 0.600 nan 8.290 nan 0.000 0.542 47 L N -1.316 119.927 121.223 0.033 0.000 2.012 47 L HA 0.033 4.415 4.340 0.071 0.000 0.210 47 L C 0.607 177.419 176.870 -0.096 0.000 1.073 47 L CA 0.825 55.504 54.840 -0.268 0.000 0.748 47 L CB -0.492 41.178 42.059 -0.650 0.000 0.891 47 L HN 0.111 nan 8.230 nan 0.000 0.431 48 L N -1.233 119.948 121.223 -0.070 0.000 2.323 48 L HA 0.549 4.931 4.340 0.071 0.000 0.265 48 L C -0.302 176.639 176.870 0.117 0.000 1.012 48 L CA -0.430 54.411 54.840 0.001 0.000 0.820 48 L CB 1.979 43.975 42.059 -0.105 0.000 1.334 48 L HN -0.026 nan 8.230 nan 0.000 0.427 49 I N -3.119 117.544 120.570 0.154 0.000 3.145 49 I HA 0.697 4.909 4.170 0.071 0.000 0.313 49 I C -0.599 175.611 176.117 0.155 0.000 1.122 49 I CA -0.698 60.694 61.300 0.152 0.000 0.987 49 I CB 2.310 40.277 38.000 -0.055 0.000 1.236 49 I HN 0.347 nan 8.210 nan 0.000 0.453 50 S N 1.956 117.787 115.700 0.218 0.000 2.562 50 S HA 0.267 4.780 4.470 0.071 0.000 0.275 50 S C -0.517 174.154 174.600 0.119 0.000 1.281 50 S CA -0.650 57.686 58.200 0.228 0.000 1.045 50 S CB 0.882 64.266 63.200 0.307 0.000 0.962 50 S HN 0.801 nan 8.310 nan 0.000 0.503 51 D N 0.867 121.356 120.400 0.147 0.000 2.398 51 D HA 0.029 4.712 4.640 0.071 0.000 0.264 51 D C 1.644 178.012 176.300 0.114 0.000 1.263 51 D CA -0.597 53.475 54.000 0.121 0.000 1.037 51 D CB -0.312 40.606 40.800 0.197 0.000 1.101 51 D HN 0.272 nan 8.370 nan 0.000 0.551 52 V N -2.982 116.996 119.914 0.107 0.000 2.867 52 V HA -0.100 4.062 4.120 0.071 0.000 0.260 52 V C 1.320 177.429 176.094 0.025 0.000 1.099 52 V CA 1.520 63.875 62.300 0.093 0.000 1.122 52 V CB -1.179 30.700 31.823 0.093 0.000 0.708 52 V HN 0.537 nan 8.190 nan 0.000 0.490 53 E N 0.470 120.652 120.200 -0.030 0.000 2.501 53 E HA 0.397 4.789 4.350 0.071 0.000 0.201 53 E C 1.575 178.002 176.600 -0.288 0.000 1.016 53 E CA 0.423 56.721 56.400 -0.170 0.000 0.920 53 E CB 0.675 30.254 29.700 -0.200 0.000 1.023 53 E HN 0.752 nan 8.360 nan 0.000 0.474 54 G N 1.766 110.485 108.800 -0.135 0.000 2.175 54 G HA2 -0.259 3.743 3.960 0.071 0.000 0.244 54 G HA3 -0.259 3.743 3.960 0.071 0.000 0.244 54 G C -0.161 174.727 174.900 -0.020 0.000 0.982 54 G CA -0.038 45.029 45.100 -0.055 0.000 0.641 54 G HN 0.439 nan 8.290 nan 0.000 0.527 55 H N 1.585 120.748 119.070 0.155 0.000 2.722 55 H HA 0.418 4.995 4.556 0.036 0.000 0.328 55 H C -2.148 173.312 175.328 0.221 0.000 1.067 55 H CA -1.356 54.803 56.048 0.186 0.000 1.447 55 H CB 0.698 30.567 29.762 0.178 0.000 1.469 55 H HN 0.111 nan 8.280 nan 0.000 0.544 56 P HA -0.012 nan 4.420 nan 0.000 0.261 56 P C -0.686 176.864 177.300 0.417 0.000 1.183 56 P CA 0.510 63.833 63.100 0.370 0.000 0.761 56 P CB 0.757 32.736 31.700 0.465 0.000 0.785 57 S N 4.121 120.035 115.700 0.357 0.000 2.651 57 S HA 0.592 5.104 4.470 0.071 0.000 0.279 57 S C -2.815 172.034 174.600 0.415 0.000 1.148 57 S CA -1.620 56.819 58.200 0.398 0.000 0.837 57 S CB 1.272 64.643 63.200 0.285 0.000 1.138 57 S HN 0.195 nan 8.310 nan 0.000 0.478 58 P HA 0.199 nan 4.420 nan 0.000 0.263 58 P C 0.048 177.545 177.300 0.329 0.000 1.195 58 P CA 0.383 63.757 63.100 0.456 0.000 0.762 58 P CB 0.262 32.155 31.700 0.322 0.000 0.799 59 G N 1.645 110.603 108.800 0.262 0.000 3.110 59 G HA2 0.113 4.116 3.960 0.071 0.000 0.207 59 G HA3 0.113 4.116 3.960 0.071 0.000 0.207 59 G C 1.024 176.036 174.900 0.185 0.000 1.841 59 G CA -0.219 45.059 45.100 0.295 0.000 0.751 59 G HN 0.265 nan 8.290 nan 0.000 0.771 60 V N 1.855 121.852 119.914 0.138 0.000 2.427 60 V HA 0.184 4.347 4.120 0.071 0.000 0.248 60 V C 1.837 177.882 176.094 -0.082 0.000 1.051 60 V CA 1.377 63.678 62.300 0.002 0.000 1.048 60 V CB -0.675 31.220 31.823 0.122 0.000 0.666 60 V HN 0.593 nan 8.190 nan 0.000 0.456 61 A N 0.901 123.723 122.820 0.005 0.000 2.354 61 A HA 0.279 4.642 4.320 0.071 0.000 0.281 61 A C 1.268 179.000 177.584 0.246 0.000 1.174 61 A CA -0.068 52.065 52.037 0.159 0.000 0.828 61 A CB 0.130 19.325 19.000 0.326 0.000 1.099 61 A HN 0.635 nan 8.150 nan 0.000 0.516 62 E N 2.834 123.119 120.200 0.142 0.000 2.318 62 E HA 0.025 4.418 4.350 0.071 0.000 0.193 62 E C 0.353 177.017 176.600 0.106 0.000 0.998 62 E CA 0.634 57.074 56.400 0.066 0.000 0.859 62 E CB 0.017 29.664 29.700 -0.088 0.000 0.812 62 E HN 0.644 nan 8.360 nan 0.000 0.492 63 K N -0.137 120.392 120.400 0.214 0.000 2.575 63 K HA 0.395 4.758 4.320 0.071 0.000 0.279 63 K C -1.957 174.855 176.600 0.353 0.000 0.969 63 K CA -0.904 55.380 56.287 -0.006 0.000 0.868 63 K CB 1.304 33.724 32.500 -0.134 0.000 1.457 63 K HN 0.162 nan 8.250 nan 0.000 0.426 64 W N 0.176 121.556 121.300 0.134 0.000 3.137 64 W HA 0.667 5.364 4.660 0.062 0.000 0.324 64 W C -1.461 175.030 176.519 -0.046 0.000 1.253 64 W CA -0.614 56.725 57.345 -0.009 0.000 1.183 64 W CB 0.996 30.353 29.460 -0.171 0.000 1.424 64 W HN 0.619 nan 8.180 nan 0.000 0.566 65 E N 1.195 121.434 120.200 0.065 0.000 2.416 65 E HA 0.510 4.902 4.350 0.071 0.000 0.273 65 E C -1.285 175.180 176.600 -0.225 0.000 0.935 65 E CA -1.180 55.177 56.400 -0.071 0.000 0.784 65 E CB 1.996 31.642 29.700 -0.091 0.000 1.301 65 E HN 0.520 nan 8.360 nan 0.000 0.454 66 N N -0.670 117.765 118.700 -0.442 0.000 2.242 66 N HA 0.371 5.154 4.740 0.071 0.000 0.292 66 N C -1.489 173.644 175.510 -0.629 0.000 1.125 66 N CA -1.037 51.491 53.050 -0.871 0.000 0.783 66 N CB 1.826 39.230 38.487 -1.805 0.000 1.558 66 N HN 0.266 nan 8.380 nan 0.000 0.472 67 K N 1.343 121.397 120.400 -0.576 0.000 2.449 67 K HA 0.211 4.574 4.320 0.071 0.000 0.257 67 K C -0.871 175.478 176.600 -0.418 0.000 0.989 67 K CA -0.369 55.673 56.287 -0.408 0.000 0.916 67 K CB 0.253 32.592 32.500 -0.268 0.000 1.136 67 K HN 0.699 nan 8.250 nan 0.000 0.439 68 D N 4.043 124.150 120.400 -0.489 0.000 3.059 68 D HA -0.226 4.456 4.640 0.071 0.000 0.220 68 D C -0.341 175.762 176.300 -0.328 0.000 1.169 68 D CA 1.370 55.115 54.000 -0.425 0.000 0.902 68 D CB -1.154 39.530 40.800 -0.193 0.000 1.116 68 D HN 0.759 nan 8.370 nan 0.000 0.417 69 F N -2.294 117.510 119.950 -0.244 0.000 3.006 69 F HA -0.311 4.258 4.527 0.070 0.000 0.289 69 F C 1.570 177.424 175.800 0.090 0.000 0.772 69 F CA 1.456 59.393 58.000 -0.105 0.000 1.162 69 F CB -2.191 36.906 39.000 0.162 0.000 1.382 69 F HN 0.197 nan 8.300 nan 0.000 0.406 70 K N -0.956 119.443 120.400 -0.003 0.000 2.387 70 K HA 0.413 4.775 4.320 0.071 0.000 0.197 70 K C 0.188 176.802 176.600 0.023 0.000 1.127 70 K CA 0.686 57.011 56.287 0.064 0.000 0.950 70 K CB 1.137 33.640 32.500 0.005 0.000 1.017 70 K HN 0.012 nan 8.250 nan 0.000 0.519 71 V N 1.869 121.685 119.914 -0.164 0.000 2.350 71 V HA 0.262 4.425 4.120 0.071 0.000 0.285 71 V C -1.505 174.434 176.094 -0.258 0.000 1.014 71 V CA -0.730 61.501 62.300 -0.116 0.000 0.831 71 V CB 0.660 32.410 31.823 -0.122 0.000 1.000 71 V HN 0.171 nan 8.190 nan 0.000 0.433 72 W N 2.582 123.830 121.300 -0.085 0.000 2.429 72 W HA 0.638 5.339 4.660 0.069 0.000 0.314 72 W C 0.281 176.629 176.519 -0.285 0.000 1.062 72 W CA -0.417 56.854 57.345 -0.124 0.000 1.211 72 W CB 1.825 31.374 29.460 0.148 0.000 1.305 72 W HN 0.364 nan 8.180 nan 0.000 0.476 73 T N 4.330 118.714 114.554 -0.283 0.000 2.770 73 T HA 0.479 4.871 4.350 0.071 0.000 0.283 73 T C -1.052 173.321 174.700 -0.545 0.000 0.988 73 T CA -0.520 61.387 62.100 -0.322 0.000 0.957 73 T CB 0.291 69.017 68.868 -0.237 0.000 0.930 73 T HN -0.026 nan 8.240 nan 0.000 0.443 74 F N 2.935 122.839 119.950 -0.078 0.000 2.411 74 F HA 0.321 4.889 4.527 0.068 0.000 0.352 74 F C 0.985 176.662 175.800 -0.206 0.000 1.123 74 F CA -0.992 57.005 58.000 -0.004 0.000 1.044 74 F CB 0.959 40.004 39.000 0.074 0.000 1.135 74 F HN 0.502 nan 8.300 nan 0.000 0.461 75 H N 5.486 124.716 119.070 0.266 0.000 2.761 75 H HA 0.306 4.903 4.556 0.069 0.000 0.284 75 H C -0.164 175.240 175.328 0.125 0.000 1.105 75 H CA -0.345 55.794 56.048 0.152 0.000 1.352 75 H CB 0.783 30.590 29.762 0.075 0.000 1.423 75 H HN 0.458 nan 8.280 nan 0.000 0.464 76 L N 4.182 125.507 121.223 0.170 0.000 2.331 76 L HA 0.248 4.630 4.340 0.071 0.000 0.278 76 L C 1.173 178.035 176.870 -0.012 0.000 1.106 76 L CA -0.671 54.216 54.840 0.078 0.000 0.824 76 L CB 0.661 42.782 42.059 0.104 0.000 1.142 76 L HN 0.484 nan 8.230 nan 0.000 0.443 77 R N 2.391 122.804 120.500 -0.145 0.000 2.570 77 R HA 0.038 4.420 4.340 0.071 0.000 0.277 77 R C 0.262 176.400 176.300 -0.270 0.000 1.039 77 R CA -0.507 55.436 56.100 -0.261 0.000 1.065 77 R CB 0.758 30.776 30.300 -0.470 0.000 0.964 77 R HN 0.567 nan 8.270 nan 0.000 0.428 78 E N 2.419 122.411 120.200 -0.348 0.000 2.204 78 E HA -0.183 4.209 4.350 0.071 0.000 0.195 78 E C 0.699 177.196 176.600 -0.172 0.000 0.990 78 E CA 1.308 57.441 56.400 -0.446 0.000 0.821 78 E CB -0.170 29.314 29.700 -0.360 0.000 0.750 78 E HN 0.792 nan 8.360 nan 0.000 0.477 79 N N 0.913 119.540 118.700 -0.123 0.000 2.314 79 N HA 0.075 4.857 4.740 0.071 0.000 0.200 79 N C 0.002 175.527 175.510 0.025 0.000 1.135 79 N CA 0.101 53.138 53.050 -0.021 0.000 0.835 79 N CB -0.057 38.435 38.487 0.008 0.000 0.989 79 N HN -0.061 nan 8.380 nan 0.000 0.478 80 A N 0.627 123.428 122.820 -0.031 0.000 2.492 80 A HA 0.404 4.766 4.320 0.071 0.000 0.254 80 A C 0.076 177.696 177.584 0.061 0.000 1.091 80 A CA 0.004 52.053 52.037 0.021 0.000 0.768 80 A CB 0.204 19.179 19.000 -0.042 0.000 1.028 80 A HN 0.352 nan 8.150 nan 0.000 0.498 81 K N 1.201 121.648 120.400 0.077 0.000 2.512 81 K HA 0.407 4.769 4.320 0.071 0.000 0.263 81 K C -1.317 175.301 176.600 0.029 0.000 0.966 81 K CA -0.529 55.805 56.287 0.078 0.000 0.851 81 K CB 1.597 34.182 32.500 0.143 0.000 1.395 81 K HN 0.768 nan 8.250 nan 0.000 0.440 82 W N 0.392 121.779 121.300 0.145 0.000 2.089 82 W HA 0.045 4.750 4.660 0.074 0.000 0.362 82 W C 1.685 178.266 176.519 0.103 0.000 1.362 82 W CA -0.070 57.351 57.345 0.127 0.000 1.460 82 W CB 0.644 30.171 29.460 0.111 0.000 1.204 82 W HN 0.719 nan 8.180 nan 0.000 0.657 83 S N -0.530 115.393 115.700 0.371 0.000 2.474 83 S HA -0.215 4.297 4.470 0.071 0.000 0.235 83 S C 0.929 175.636 174.600 0.179 0.000 0.997 83 S CA 1.362 59.689 58.200 0.211 0.000 0.949 83 S CB -0.490 62.803 63.200 0.155 0.000 0.766 83 S HN 0.608 nan 8.310 nan 0.000 0.517 84 D N 0.167 120.693 120.400 0.210 0.000 2.328 84 D HA 0.280 4.962 4.640 0.071 0.000 0.221 84 D C 1.399 177.786 176.300 0.146 0.000 1.072 84 D CA 0.503 54.591 54.000 0.146 0.000 0.850 84 D CB -0.528 40.340 40.800 0.114 0.000 0.922 84 D HN 0.512 nan 8.370 nan 0.000 0.516 85 G N 0.223 109.130 108.800 0.177 0.000 2.217 85 G HA2 -0.281 3.722 3.960 0.071 0.000 0.246 85 G HA3 -0.281 3.722 3.960 0.071 0.000 0.246 85 G C 0.541 175.549 174.900 0.180 0.000 0.990 85 G CA 0.466 45.658 45.100 0.154 0.000 0.627 85 G HN 0.807 nan 8.290 nan 0.000 0.522 86 T N 0.367 115.060 114.554 0.230 0.000 2.913 86 T HA 0.598 4.990 4.350 0.071 0.000 0.297 86 T C -2.235 172.678 174.700 0.355 0.000 1.029 86 T CA -1.275 60.977 62.100 0.252 0.000 1.104 86 T CB 2.060 71.053 68.868 0.209 0.000 0.964 86 T HN 0.125 nan 8.240 nan 0.000 0.532 87 P HA 0.248 nan 4.420 nan 0.000 0.271 87 P C -0.569 176.923 177.300 0.319 0.000 1.218 87 P CA -0.528 62.729 63.100 0.261 0.000 0.780 87 P CB 0.393 32.232 31.700 0.232 0.000 0.901 88 V N 3.339 123.333 119.914 0.133 0.000 2.432 88 V HA 0.351 4.513 4.120 0.071 0.000 0.271 88 V C 0.959 177.169 176.094 0.194 0.000 1.046 88 V CA 0.162 62.487 62.300 0.042 0.000 0.945 88 V CB 0.579 32.261 31.823 -0.234 0.000 0.992 88 V HN 0.762 nan 8.190 nan 0.000 0.471 89 T N 1.945 116.646 114.554 0.245 0.000 2.910 89 T HA 0.679 5.071 4.350 0.071 0.000 0.287 89 T C 1.097 175.889 174.700 0.154 0.000 1.050 89 T CA -0.054 62.146 62.100 0.167 0.000 1.011 89 T CB 1.985 70.951 68.868 0.165 0.000 1.195 89 T HN 0.577 nan 8.240 nan 0.000 0.540 90 A N -0.114 122.688 122.820 -0.031 0.000 2.015 90 A HA -0.057 4.306 4.320 0.071 0.000 0.219 90 A C 2.104 179.664 177.584 -0.041 0.000 1.163 90 A CA 1.181 53.191 52.037 -0.044 0.000 0.646 90 A CB -1.267 17.686 19.000 -0.078 0.000 0.806 90 A HN 0.942 nan 8.150 nan 0.000 0.448 91 H N 0.308 119.472 119.070 0.156 0.000 2.421 91 H HA -0.100 4.499 4.556 0.071 0.000 0.298 91 H C 1.328 176.745 175.328 0.148 0.000 1.087 91 H CA 1.435 57.569 56.048 0.144 0.000 1.330 91 H CB -0.278 29.541 29.762 0.095 0.000 1.388 91 H HN 0.477 nan 8.280 nan 0.000 0.526 92 D N 0.477 121.016 120.400 0.231 0.000 2.117 92 D HA -0.125 4.558 4.640 0.071 0.000 0.197 92 D C 2.061 178.362 176.300 0.003 0.000 0.987 92 D CA 0.824 54.924 54.000 0.168 0.000 0.829 92 D CB -0.422 40.515 40.800 0.228 0.000 0.961 92 D HN 0.260 nan 8.370 nan 0.000 0.460 93 F N 0.719 120.565 119.950 -0.173 0.000 2.186 93 F HA -0.138 4.430 4.527 0.069 0.000 0.299 93 F C 2.532 178.101 175.800 -0.386 0.000 1.090 93 F CA 0.421 58.067 58.000 -0.590 0.000 1.307 93 F CB -0.542 37.497 39.000 -1.602 0.000 1.019 93 F HN -0.185 nan 8.300 nan 0.000 0.489 94 V N -0.632 119.353 119.914 0.117 0.000 2.261 94 V HA -0.343 3.820 4.120 0.071 0.000 0.246 94 V C 2.076 178.323 176.094 0.255 0.000 1.047 94 V CA 2.120 64.600 62.300 0.300 0.000 1.015 94 V CB -0.900 31.119 31.823 0.327 0.000 0.642 94 V HN 0.416 nan 8.190 nan 0.000 0.446 95 Y N 1.466 121.845 120.300 0.132 0.000 2.097 95 Y HA -0.274 4.318 4.550 0.070 0.000 0.282 95 Y C 2.748 178.730 175.900 0.137 0.000 1.152 95 Y CA 2.028 60.191 58.100 0.105 0.000 1.136 95 Y CB -0.562 37.930 38.460 0.055 0.000 0.975 95 Y HN 0.218 nan 8.280 nan 0.000 0.498 96 S N -0.325 115.431 115.700 0.092 0.000 2.359 96 S HA -0.223 4.289 4.470 0.071 0.000 0.224 96 S C 1.539 176.291 174.600 0.254 0.000 1.035 96 S CA 1.590 59.879 58.200 0.148 0.000 1.018 96 S CB -0.740 62.600 63.200 0.232 0.000 0.876 96 S HN 0.661 nan 8.310 nan 0.000 0.448 97 W N 2.118 123.440 121.300 0.037 0.000 2.402 97 W HA 0.072 4.773 4.660 0.068 0.000 0.286 97 W C 2.433 178.919 176.519 -0.054 0.000 1.221 97 W CA -0.104 57.270 57.345 0.049 0.000 1.257 97 W CB -1.075 28.517 29.460 0.220 0.000 1.120 97 W HN 0.416 nan 8.180 nan 0.000 0.551 98 Q N -0.148 119.737 119.800 0.141 0.000 2.079 98 Q HA -0.176 4.206 4.340 0.071 0.000 0.200 98 Q C 2.308 178.226 176.000 -0.137 0.000 0.974 98 Q CA 1.566 57.378 55.803 0.015 0.000 0.840 98 Q CB -0.400 28.349 28.738 0.017 0.000 0.898 98 Q HN 0.249 nan 8.270 nan 0.000 0.430 99 R N 0.527 120.844 120.500 -0.306 0.000 2.096 99 R HA -0.168 4.214 4.340 0.071 0.000 0.235 99 R C 2.197 178.228 176.300 -0.449 0.000 1.127 99 R CA 0.931 56.803 56.100 -0.379 0.000 0.968 99 R CB -0.203 29.814 30.300 -0.471 0.000 0.861 99 R HN 0.212 nan 8.270 nan 0.000 0.440 100 L N 0.638 121.464 121.223 -0.663 0.000 2.046 100 L HA -0.057 4.325 4.340 0.071 0.000 0.208 100 L C 2.197 178.909 176.870 -0.264 0.000 1.077 100 L CA 2.223 56.690 54.840 -0.621 0.000 0.747 100 L CB -0.663 41.090 42.059 -0.511 0.000 0.896 100 L HN 0.240 nan 8.230 nan 0.000 0.432 101 A N -1.412 121.310 122.820 -0.164 0.000 1.968 101 A HA -0.129 4.233 4.320 0.071 0.000 0.217 101 A C 1.055 178.593 177.584 -0.076 0.000 1.169 101 A CA 0.721 52.706 52.037 -0.087 0.000 0.638 101 A CB -0.779 18.206 19.000 -0.024 0.000 0.812 101 A HN 0.510 nan 8.150 nan 0.000 0.446 102 D N 0.021 120.366 120.400 -0.090 0.000 2.434 102 D HA 0.112 4.795 4.640 0.071 0.000 0.252 102 D C -1.545 174.722 176.300 -0.056 0.000 1.185 102 D CA -1.790 52.172 54.000 -0.063 0.000 0.886 102 D CB 1.051 41.809 40.800 -0.070 0.000 1.148 102 D HN 0.039 nan 8.370 nan 0.000 0.483 103 P HA -0.138 nan 4.420 nan 0.000 0.217 103 P C 0.911 178.196 177.300 -0.025 0.000 1.148 103 P CA 0.929 64.011 63.100 -0.030 0.000 0.828 103 P CB 0.224 31.912 31.700 -0.019 0.000 0.783 104 N N -1.205 117.483 118.700 -0.019 0.000 2.381 104 N HA -0.063 4.719 4.740 0.071 0.000 0.182 104 N C 1.296 176.803 175.510 -0.005 0.000 1.025 104 N CA 1.271 54.316 53.050 -0.008 0.000 0.888 104 N CB -0.513 37.973 38.487 -0.002 0.000 0.965 104 N HN 0.224 nan 8.380 nan 0.000 0.438 105 T N 0.707 115.249 114.554 -0.020 0.000 3.023 105 T HA 0.117 4.510 4.350 0.071 0.000 0.266 105 T C 1.085 175.783 174.700 -0.005 0.000 1.093 105 T CA 0.696 62.792 62.100 -0.006 0.000 1.129 105 T CB -0.090 68.753 68.868 -0.042 0.000 0.899 105 T HN 0.367 nan 8.240 nan 0.000 0.491 106 A N 1.741 124.545 122.820 -0.026 0.000 2.745 106 A HA -0.154 4.208 4.320 0.071 0.000 0.296 106 A C 0.919 178.474 177.584 -0.049 0.000 1.500 106 A CA 0.667 52.681 52.037 -0.039 0.000 0.766 106 A CB -2.246 16.734 19.000 -0.032 0.000 1.030 106 A HN 0.504 nan 8.150 nan 0.000 0.489 107 S N 0.197 115.874 115.700 -0.039 0.000 2.564 107 S HA 0.481 4.993 4.470 0.071 0.000 0.278 107 S C -0.174 174.395 174.600 -0.053 0.000 1.333 107 S CA -0.685 57.507 58.200 -0.013 0.000 1.048 107 S CB 0.672 63.877 63.200 0.008 0.000 0.900 107 S HN 0.419 nan 8.310 nan 0.000 0.505 108 P HA -0.031 nan 4.420 nan 0.000 0.226 108 P C 0.057 177.296 177.300 -0.101 0.000 1.153 108 P CA 1.039 64.057 63.100 -0.136 0.000 0.777 108 P CB -0.048 31.582 31.700 -0.116 0.000 0.794 109 Y N -0.735 119.556 120.300 -0.016 0.000 2.658 109 Y HA 0.450 5.043 4.550 0.072 0.000 0.276 109 Y C 2.216 178.060 175.900 -0.093 0.000 1.167 109 Y CA -0.242 57.843 58.100 -0.026 0.000 1.230 109 Y CB -0.397 38.055 38.460 -0.013 0.000 1.144 109 Y HN -0.071 nan 8.280 nan 0.000 0.529 110 A N -0.684 122.124 122.820 -0.019 0.000 1.940 110 A HA -0.203 4.159 4.320 0.071 0.000 0.219 110 A C 2.320 179.820 177.584 -0.139 0.000 1.176 110 A CA 2.251 54.241 52.037 -0.078 0.000 0.631 110 A CB -0.671 18.279 19.000 -0.084 0.000 0.814 110 A HN 0.331 nan 8.150 nan 0.000 0.446 111 S N -1.873 113.696 115.700 -0.218 0.000 2.547 111 S HA -0.088 4.425 4.470 0.071 0.000 0.235 111 S C 1.498 175.579 174.600 -0.866 0.000 0.980 111 S CA 0.731 58.676 58.200 -0.425 0.000 0.941 111 S CB -0.514 62.472 63.200 -0.356 0.000 0.763 111 S HN 0.636 nan 8.310 nan 0.000 0.532 112 Y N 2.149 122.029 120.300 -0.701 0.000 2.256 112 Y HA -0.070 4.522 4.550 0.069 0.000 0.288 112 Y C 1.663 177.320 175.900 -0.405 0.000 1.155 112 Y CA 1.047 58.800 58.100 -0.578 0.000 1.203 112 Y CB -0.297 38.068 38.460 -0.160 0.000 0.980 112 Y HN 0.229 nan 8.280 nan 0.000 0.530 113 L N -0.718 120.350 121.223 -0.259 0.000 2.291 113 L HA -0.187 4.195 4.340 0.071 0.000 0.214 113 L C 2.167 178.915 176.870 -0.203 0.000 1.120 113 L CA 0.974 55.695 54.840 -0.199 0.000 0.799 113 L CB -0.421 41.570 42.059 -0.114 0.000 0.925 113 L HN 0.242 nan 8.230 nan 0.000 0.446 114 Q N -1.080 118.556 119.800 -0.275 0.000 2.137 114 Q HA -0.134 4.249 4.340 0.071 0.000 0.198 114 Q C 2.066 177.849 176.000 -0.361 0.000 0.960 114 Q CA 1.083 56.736 55.803 -0.251 0.000 0.847 114 Q CB -0.029 28.623 28.738 -0.143 0.000 0.915 114 Q HN 0.432 nan 8.270 nan 0.000 0.448 115 Y N -0.092 120.014 120.300 -0.322 0.000 2.224 115 Y HA -0.057 4.534 4.550 0.070 0.000 0.289 115 Y C 2.375 178.100 175.900 -0.291 0.000 1.146 115 Y CA 1.101 59.032 58.100 -0.282 0.000 1.182 115 Y CB -1.034 37.318 38.460 -0.180 0.000 0.983 115 Y HN 0.131 nan 8.280 nan 0.000 0.524 116 G N -2.491 106.223 108.800 -0.143 0.000 2.777 116 G HA2 -0.045 3.958 3.960 0.071 0.000 0.211 116 G HA3 -0.045 3.958 3.960 0.071 0.000 0.211 116 G C -0.320 174.626 174.900 0.076 0.000 1.149 116 G CA 0.324 45.468 45.100 0.073 0.000 0.785 116 G HN 0.633 nan 8.290 nan 0.000 0.536 117 H N -1.545 117.542 119.070 0.028 0.000 2.826 117 H HA -0.129 4.469 4.556 0.070 0.000 0.306 117 H C -0.033 175.285 175.328 -0.018 0.000 1.235 117 H CA -0.077 55.977 56.048 0.009 0.000 1.150 117 H CB -2.096 27.668 29.762 0.003 0.000 1.409 117 H HN 0.308 nan 8.280 nan 0.000 0.420 118 I N 0.807 121.403 120.570 0.043 0.000 2.710 118 I HA 0.136 4.348 4.170 0.071 0.000 0.286 118 I C 1.262 177.420 176.117 0.068 0.000 1.181 118 I CA 0.932 62.272 61.300 0.067 0.000 1.430 118 I CB 0.470 38.559 38.000 0.149 0.000 1.367 118 I HN 0.496 nan 8.210 nan 0.000 0.577 119 A N 5.768 128.624 122.820 0.060 0.000 2.565 119 A HA 0.096 4.458 4.320 0.071 0.000 0.237 119 A C 1.097 178.714 177.584 0.054 0.000 1.053 119 A CA 0.107 52.176 52.037 0.053 0.000 0.755 119 A CB -0.307 18.716 19.000 0.038 0.000 0.980 119 A HN 0.912 nan 8.150 nan 0.000 0.506 120 N N -0.408 118.320 118.700 0.048 0.000 2.909 120 N HA -0.220 4.563 4.740 0.071 0.000 0.242 120 N C 0.561 176.092 175.510 0.036 0.000 0.975 120 N CA 1.187 54.261 53.050 0.040 0.000 0.921 120 N CB -1.450 37.060 38.487 0.039 0.000 1.112 120 N HN 0.780 nan 8.380 nan 0.000 0.581 121 I N 1.707 122.298 120.570 0.035 0.000 2.226 121 I HA -0.181 4.031 4.170 0.071 0.000 0.245 121 I C 1.639 177.760 176.117 0.006 0.000 1.100 121 I CA 1.833 63.142 61.300 0.015 0.000 1.374 121 I CB -0.109 37.888 38.000 -0.005 0.000 1.057 121 I HN 0.054 nan 8.210 nan 0.000 0.413 122 D N 0.588 120.998 120.400 0.016 0.000 2.104 122 D HA -0.189 4.493 4.640 0.071 0.000 0.194 122 D C 1.861 178.169 176.300 0.013 0.000 0.994 122 D CA 1.536 55.545 54.000 0.016 0.000 0.830 122 D CB -0.468 40.351 40.800 0.031 0.000 0.959 122 D HN 0.361 nan 8.370 nan 0.000 0.452 123 D N -0.053 120.358 120.400 0.017 0.000 2.144 123 D HA -0.063 4.619 4.640 0.071 0.000 0.199 123 D C 2.230 178.536 176.300 0.010 0.000 0.984 123 D CA 0.379 54.388 54.000 0.015 0.000 0.834 123 D CB -0.207 40.604 40.800 0.018 0.000 0.955 123 D HN 0.255 nan 8.370 nan 0.000 0.465 124 I N 0.397 120.973 120.570 0.010 0.000 2.202 124 I HA -0.203 4.010 4.170 0.071 0.000 0.242 124 I C 2.321 178.435 176.117 -0.005 0.000 1.091 124 I CA 0.686 61.989 61.300 0.005 0.000 1.368 124 I CB -0.113 37.892 38.000 0.009 0.000 1.058 124 I HN -0.032 nan 8.210 nan 0.000 0.410 125 I N 0.883 121.447 120.570 -0.010 0.000 2.286 125 I HA -0.272 3.940 4.170 0.071 0.000 0.248 125 I C 2.489 178.600 176.117 -0.011 0.000 1.115 125 I CA 1.338 62.627 61.300 -0.018 0.000 1.392 125 I CB -0.387 37.597 38.000 -0.026 0.000 1.065 125 I HN 0.189 nan 8.210 nan 0.000 0.418 126 A N 0.222 123.040 122.820 -0.003 0.000 2.235 126 A HA 0.243 4.605 4.320 0.071 0.000 0.208 126 A C 1.855 179.439 177.584 0.001 0.000 1.172 126 A CA 0.814 52.851 52.037 0.000 0.000 0.786 126 A CB -0.675 18.328 19.000 0.005 0.000 0.804 126 A HN 0.593 nan 8.150 nan 0.000 0.479 127 G N -0.587 108.213 108.800 0.000 0.000 2.148 127 G HA2 -0.314 3.688 3.960 0.071 0.000 0.254 127 G HA3 -0.314 3.688 3.960 0.071 0.000 0.254 127 G C 0.860 175.763 174.900 0.005 0.000 0.981 127 G CA 0.918 46.019 45.100 0.001 0.000 0.670 127 G HN 0.568 nan 8.290 nan 0.000 0.528 128 K N -0.549 119.855 120.400 0.007 0.000 2.211 128 K HA 0.161 4.524 4.320 0.071 0.000 0.201 128 K C 1.138 177.744 176.600 0.011 0.000 1.052 128 K CA 0.757 57.049 56.287 0.009 0.000 0.973 128 K CB 0.204 32.710 32.500 0.010 0.000 0.766 128 K HN 0.297 nan 8.250 nan 0.000 0.466 129 K N 1.048 121.455 120.400 0.012 0.000 2.375 129 K HA 0.325 4.687 4.320 0.071 0.000 0.249 129 K C -2.788 173.821 176.600 0.015 0.000 0.942 129 K CA -2.298 53.998 56.287 0.015 0.000 0.806 129 K CB 2.002 34.514 32.500 0.019 0.000 1.227 129 K HN -0.184 nan 8.250 nan 0.000 0.430 130 P HA 0.021 nan 4.420 nan 0.000 0.272 130 P C 0.066 177.380 177.300 0.022 0.000 1.223 130 P CA -0.010 63.101 63.100 0.018 0.000 0.784 130 P CB 0.759 32.472 31.700 0.022 0.000 0.923 131 A N 2.285 125.116 122.820 0.018 0.000 2.019 131 A HA -0.147 4.215 4.320 0.071 0.000 0.219 131 A C 1.823 179.432 177.584 0.043 0.000 1.164 131 A CA 2.178 54.228 52.037 0.021 0.000 0.644 131 A CB -1.874 17.125 19.000 -0.002 0.000 0.805 131 A HN 0.672 nan 8.150 nan 0.000 0.449 132 T N -3.053 111.529 114.554 0.047 0.000 3.098 132 T HA -0.050 4.342 4.350 0.071 0.000 0.266 132 T C 0.834 175.569 174.700 0.060 0.000 1.145 132 T CA 1.359 63.496 62.100 0.062 0.000 1.092 132 T CB -0.292 68.611 68.868 0.058 0.000 0.908 132 T HN 0.329 nan 8.240 nan 0.000 0.526 133 D N 0.218 120.648 120.400 0.050 0.000 2.349 133 D HA 0.227 4.909 4.640 0.071 0.000 0.215 133 D C 0.453 176.786 176.300 0.055 0.000 1.016 133 D CA -0.231 53.796 54.000 0.046 0.000 0.870 133 D CB -0.224 40.597 40.800 0.035 0.000 0.917 133 D HN 0.318 nan 8.370 nan 0.000 0.524 134 L N 0.597 121.863 121.223 0.072 0.000 2.514 134 L HA 0.189 4.571 4.340 0.071 0.000 0.280 134 L C 1.270 178.196 176.870 0.093 0.000 1.223 134 L CA 0.252 55.148 54.840 0.094 0.000 0.864 134 L CB 0.681 42.821 42.059 0.136 0.000 1.118 134 L HN 0.045 nan 8.230 nan 0.000 0.494 135 G N 5.467 114.320 108.800 0.088 0.000 3.180 135 G HA2 0.388 4.391 3.960 0.071 0.000 0.246 135 G HA3 0.388 4.391 3.960 0.071 0.000 0.246 135 G C -0.408 174.515 174.900 0.039 0.000 0.939 135 G CA 0.424 45.558 45.100 0.058 0.000 1.920 135 G HN 0.765 nan 8.290 nan 0.000 0.612 136 V N -2.098 117.835 119.914 0.031 0.000 2.925 136 V HA 0.972 5.134 4.120 0.071 0.000 0.311 136 V C -0.700 175.354 176.094 -0.067 0.000 1.104 136 V CA -1.477 60.766 62.300 -0.096 0.000 0.954 136 V CB 2.084 33.919 31.823 0.020 0.000 1.022 136 V HN 0.544 nan 8.190 nan 0.000 0.427 137 K N 2.507 122.791 120.400 -0.193 0.000 2.568 137 K HA 0.867 5.230 4.320 0.071 0.000 0.273 137 K C -1.114 175.474 176.600 -0.020 0.000 0.951 137 K CA -0.414 55.854 56.287 -0.031 0.000 0.854 137 K CB 2.284 34.773 32.500 -0.017 0.000 1.424 137 K HN 1.456 nan 8.250 nan 0.000 0.427 138 A N 3.487 126.356 122.820 0.080 0.000 2.279 138 A HA 0.375 4.737 4.320 0.071 0.000 0.306 138 A C 0.683 178.276 177.584 0.015 0.000 1.300 138 A CA -0.921 51.124 52.037 0.013 0.000 0.925 138 A CB -0.204 18.647 19.000 -0.249 0.000 1.152 138 A HN 0.783 nan 8.150 nan 0.000 0.544 139 L N 1.046 122.268 121.223 -0.001 0.000 2.240 139 L HA 0.091 4.473 4.340 0.071 0.000 0.211 139 L C 0.533 177.424 176.870 0.035 0.000 1.106 139 L CA 0.985 55.835 54.840 0.017 0.000 0.793 139 L CB -0.458 41.605 42.059 0.006 0.000 0.927 139 L HN 0.932 nan 8.230 nan 0.000 0.446 140 D N -4.633 115.772 120.400 0.009 0.000 2.779 140 D HA 0.052 4.734 4.640 0.071 0.000 0.331 140 D C -0.044 176.193 176.300 -0.105 0.000 1.331 140 D CA -0.621 53.389 54.000 0.016 0.000 0.866 140 D CB 0.213 41.038 40.800 0.043 0.000 1.409 140 D HN -0.340 nan 8.370 nan 0.000 0.486 141 D N -1.464 118.856 120.400 -0.132 0.000 2.218 141 D HA -0.093 4.589 4.640 0.071 0.000 0.204 141 D C 0.567 176.587 176.300 -0.468 0.000 0.976 141 D CA 1.243 55.048 54.000 -0.324 0.000 0.853 141 D CB -0.053 40.512 40.800 -0.391 0.000 0.939 141 D HN 0.390 nan 8.370 nan 0.000 0.481 142 H N -1.239 117.852 119.070 0.035 0.000 2.528 142 H HA 0.297 4.896 4.556 0.071 0.000 0.282 142 H C -0.176 175.183 175.328 0.051 0.000 1.097 142 H CA 0.127 56.201 56.048 0.043 0.000 1.121 142 H CB 0.421 30.216 29.762 0.056 0.000 1.590 142 H HN -0.121 nan 8.280 nan 0.000 0.553 143 T N 1.371 115.977 114.554 0.088 0.000 2.949 143 T HA 0.210 4.603 4.350 0.071 0.000 0.300 143 T C -1.092 173.656 174.700 0.079 0.000 0.988 143 T CA -0.520 61.617 62.100 0.062 0.000 0.993 143 T CB 1.187 70.082 68.868 0.046 0.000 0.984 143 T HN 0.041 nan 8.240 nan 0.000 0.442 144 F N 3.050 122.955 119.950 -0.074 0.000 2.411 144 F HA 0.545 5.114 4.527 0.070 0.000 0.352 144 F C 0.108 175.937 175.800 0.049 0.000 1.123 144 F CA -1.116 56.839 58.000 -0.075 0.000 1.044 144 F CB 0.976 39.845 39.000 -0.219 0.000 1.135 144 F HN 0.505 nan 8.300 nan 0.000 0.461 145 E N 5.596 125.540 120.200 -0.426 0.000 2.158 145 E HA 0.548 4.941 4.350 0.071 0.000 0.271 145 E C -1.754 174.577 176.600 -0.448 0.000 0.911 145 E CA -0.709 55.511 56.400 -0.300 0.000 0.767 145 E CB 1.747 31.346 29.700 -0.168 0.000 1.120 145 E HN 0.495 nan 8.360 nan 0.000 0.405 146 V N 3.692 123.506 119.914 -0.166 0.000 2.417 146 V HA 0.338 4.500 4.120 0.071 0.000 0.291 146 V C -0.202 175.905 176.094 0.023 0.000 1.024 146 V CA -0.649 61.611 62.300 -0.065 0.000 0.861 146 V CB 1.854 33.807 31.823 0.215 0.000 0.985 146 V HN 0.705 nan 8.190 nan 0.000 0.436 147 T N 6.636 121.185 114.554 -0.010 0.000 2.770 147 T HA 0.632 5.025 4.350 0.071 0.000 0.283 147 T C -0.245 174.452 174.700 -0.005 0.000 0.988 147 T CA -0.273 61.826 62.100 -0.002 0.000 0.957 147 T CB 0.695 69.556 68.868 -0.011 0.000 0.930 147 T HN 0.350 nan 8.240 nan 0.000 0.443 148 L N 2.069 123.285 121.223 -0.012 0.000 2.375 148 L HA 0.437 4.819 4.340 0.071 0.000 0.268 148 L C 1.656 178.539 176.870 0.021 0.000 1.058 148 L CA -0.825 54.005 54.840 -0.016 0.000 0.803 148 L CB 1.293 43.316 42.059 -0.061 0.000 1.212 148 L HN 0.715 nan 8.230 nan 0.000 0.451 149 S N -0.830 114.898 115.700 0.046 0.000 2.527 149 S HA 0.040 4.552 4.470 0.071 0.000 0.222 149 S C 0.233 174.836 174.600 0.004 0.000 0.985 149 S CA -0.062 58.160 58.200 0.036 0.000 0.921 149 S CB -0.310 62.928 63.200 0.064 0.000 0.772 149 S HN 0.785 nan 8.310 nan 0.000 0.529 150 E N -0.387 119.806 120.200 -0.013 0.000 2.423 150 E HA 0.432 4.824 4.350 0.071 0.000 0.280 150 E C -3.563 173.038 176.600 0.002 0.000 1.030 150 E CA -2.713 53.665 56.400 -0.037 0.000 0.812 150 E CB 0.393 30.023 29.700 -0.117 0.000 1.313 150 E HN -0.075 nan 8.360 nan 0.000 0.456 151 P HA 0.084 nan 4.420 nan 0.000 0.266 151 P C -0.651 176.691 177.300 0.071 0.000 1.215 151 P CA -0.182 63.007 63.100 0.148 0.000 0.763 151 P CB 0.544 32.364 31.700 0.200 0.000 0.806 152 V N 7.134 127.127 119.914 0.131 0.000 2.327 152 V HA 0.172 4.334 4.120 0.071 0.000 0.272 152 V C -1.596 174.473 176.094 -0.041 0.000 1.019 152 V CA -1.397 60.823 62.300 -0.134 0.000 0.814 152 V CB 1.521 33.230 31.823 -0.190 0.000 1.040 152 V HN 0.388 nan 8.190 nan 0.000 0.440 153 P HA -0.147 nan 4.420 nan 0.000 0.218 153 P C 1.029 178.396 177.300 0.110 0.000 1.148 153 P CA 1.405 64.292 63.100 -0.355 0.000 0.822 153 P CB -0.022 31.296 31.700 -0.638 0.000 0.784 154 Y N -4.352 115.995 120.300 0.078 0.000 2.461 154 Y HA 0.327 4.919 4.550 0.070 0.000 0.277 154 Y C 1.799 177.523 175.900 -0.294 0.000 1.182 154 Y CA -1.130 56.920 58.100 -0.083 0.000 1.276 154 Y CB -1.515 36.909 38.460 -0.061 0.000 1.087 154 Y HN -0.215 nan 8.280 nan 0.000 0.519 155 F N 2.574 122.208 119.950 -0.525 0.000 2.063 155 F HA -0.343 4.229 4.527 0.074 0.000 0.298 155 F C 2.435 177.853 175.800 -0.638 0.000 1.105 155 F CA 2.001 59.594 58.000 -0.678 0.000 1.215 155 F CB -0.955 37.455 39.000 -0.984 0.000 0.972 155 F HN 0.320 nan 8.300 nan 0.000 0.483 156 Y N 0.043 119.886 120.300 -0.762 0.000 2.256 156 Y HA -0.144 4.445 4.550 0.065 0.000 0.288 156 Y C 2.057 177.733 175.900 -0.372 0.000 1.155 156 Y CA 1.526 59.278 58.100 -0.580 0.000 1.203 156 Y CB -1.477 36.839 38.460 -0.241 0.000 0.980 156 Y HN 0.060 nan 8.280 nan 0.000 0.530 157 K N 0.206 120.026 120.400 -0.967 0.000 2.147 157 K HA -0.109 4.254 4.320 0.071 0.000 0.205 157 K C 1.701 178.123 176.600 -0.296 0.000 1.049 157 K CA 1.477 57.453 56.287 -0.519 0.000 0.936 157 K CB -0.276 31.985 32.500 -0.400 0.000 0.722 157 K HN 0.277 nan 8.250 nan 0.000 0.446 158 L N 0.744 121.651 121.223 -0.525 0.000 2.201 158 L HA -0.109 4.273 4.340 0.071 0.000 0.212 158 L C 1.720 178.528 176.870 -0.103 0.000 1.105 158 L CA 1.325 55.922 54.840 -0.404 0.000 0.775 158 L CB -0.349 41.240 42.059 -0.784 0.000 0.913 158 L HN 0.144 nan 8.230 nan 0.000 0.440 159 L N -0.631 120.439 121.223 -0.256 0.000 2.633 159 L HA -0.075 4.307 4.340 0.071 0.000 0.235 159 L C 1.995 178.872 176.870 0.012 0.000 1.163 159 L CA 0.286 55.043 54.840 -0.138 0.000 0.859 159 L CB -0.722 41.157 42.059 -0.301 0.000 0.973 159 L HN 0.282 nan 8.230 nan 0.000 0.451 160 V N -4.901 115.053 119.914 0.067 0.000 3.541 160 V HA 0.025 4.188 4.120 0.071 0.000 0.267 160 V C 1.338 177.491 176.094 0.098 0.000 1.213 160 V CA 0.008 62.383 62.300 0.125 0.000 1.149 160 V CB -0.789 31.132 31.823 0.163 0.000 0.822 160 V HN 0.338 nan 8.190 nan 0.000 0.462 161 H N 1.816 120.861 119.070 -0.041 0.000 2.732 161 H HA 0.222 4.820 4.556 0.069 0.000 0.351 161 H C -1.751 173.428 175.328 -0.248 0.000 1.090 161 H CA -1.199 54.715 56.048 -0.224 0.000 1.431 161 H CB 2.074 31.537 29.762 -0.498 0.000 1.447 161 H HN 0.111 nan 8.280 nan 0.000 0.582 162 P HA -0.190 nan 4.420 nan 0.000 0.216 162 P C 1.596 178.708 177.300 -0.312 0.000 1.150 162 P CA 1.995 64.817 63.100 -0.464 0.000 0.837 162 P CB 0.069 31.456 31.700 -0.522 0.000 0.786 163 S N -0.689 114.817 115.700 -0.324 0.000 2.419 163 S HA -0.117 4.395 4.470 0.071 0.000 0.235 163 S C 1.548 176.121 174.600 -0.044 0.000 1.019 163 S CA 1.530 59.659 58.200 -0.119 0.000 0.982 163 S CB -1.667 61.412 63.200 -0.202 0.000 0.789 163 S HN 0.159 nan 8.310 nan 0.000 0.490 164 V N -1.006 118.861 119.914 -0.077 0.000 3.249 164 V HA 0.440 4.602 4.120 0.071 0.000 0.338 164 V C 0.336 176.650 176.094 0.366 0.000 1.363 164 V CA -0.652 61.632 62.300 -0.028 0.000 1.205 164 V CB -0.724 30.931 31.823 -0.280 0.000 1.164 164 V HN 0.273 nan 8.190 nan 0.000 0.458 165 S N 3.123 118.929 115.700 0.177 0.000 2.632 165 S HA 0.515 5.027 4.470 0.071 0.000 0.271 165 S C -2.328 172.283 174.600 0.020 0.000 1.260 165 S CA -0.636 57.657 58.200 0.156 0.000 1.010 165 S CB 1.222 64.477 63.200 0.092 0.000 0.965 165 S HN 0.478 nan 8.310 nan 0.000 0.534 166 P HA 0.311 nan 4.420 nan 0.000 0.278 166 P C -0.963 176.410 177.300 0.121 0.000 1.238 166 P CA -0.428 62.532 63.100 -0.233 0.000 0.794 166 P CB 0.744 32.090 31.700 -0.590 0.000 0.955 167 V N -0.866 119.102 119.914 0.090 0.000 2.769 167 V HA 0.640 4.802 4.120 0.071 0.000 0.312 167 V C -2.658 173.347 176.094 -0.148 0.000 1.061 167 V CA -3.105 59.151 62.300 -0.073 0.000 0.931 167 V CB 1.719 33.298 31.823 -0.407 0.000 1.010 167 V HN 0.336 nan 8.190 nan 0.000 0.433 168 P HA 0.245 nan 4.420 nan 0.000 0.277 168 P C 0.355 177.304 177.300 -0.585 0.000 1.354 168 P CA -0.201 62.440 63.100 -0.766 0.000 0.891 168 P CB 1.258 32.451 31.700 -0.845 0.000 1.058 169 K N 3.404 123.449 120.400 -0.592 0.000 2.044 169 K HA -0.217 4.146 4.320 0.071 0.000 0.210 169 K C 1.927 178.236 176.600 -0.485 0.000 1.049 169 K CA 2.432 58.242 56.287 -0.794 0.000 0.927 169 K CB -0.315 31.431 32.500 -1.256 0.000 0.713 169 K HN 0.438 nan 8.250 nan 0.000 0.443 170 S N 0.370 115.838 115.700 -0.387 0.000 2.359 170 S HA -0.214 4.298 4.470 0.071 0.000 0.223 170 S C 2.201 176.708 174.600 -0.155 0.000 1.039 170 S CA 1.422 59.475 58.200 -0.246 0.000 1.042 170 S CB -0.652 62.431 63.200 -0.196 0.000 0.915 170 S HN 0.445 nan 8.310 nan 0.000 0.439 171 A N 1.366 124.128 122.820 -0.097 0.000 1.898 171 A HA 0.120 4.482 4.320 0.071 0.000 0.216 171 A C 2.485 180.154 177.584 0.141 0.000 1.181 171 A CA 1.522 53.683 52.037 0.207 0.000 0.620 171 A CB -1.178 17.982 19.000 0.268 0.000 0.819 171 A HN 0.482 nan 8.150 nan 0.000 0.442 172 V N 0.255 120.004 119.914 -0.275 0.000 2.255 172 V HA -0.315 3.847 4.120 0.071 0.000 0.247 172 V C 2.464 178.507 176.094 -0.084 0.000 1.051 172 V CA 2.474 64.554 62.300 -0.367 0.000 1.018 172 V CB -0.894 30.625 31.823 -0.507 0.000 0.641 172 V HN 0.646 nan 8.190 nan 0.000 0.445 173 E N -0.359 119.766 120.200 -0.125 0.000 2.077 173 E HA -0.259 4.133 4.350 0.071 0.000 0.193 173 E C 2.294 178.813 176.600 -0.135 0.000 0.989 173 E CA 1.369 57.709 56.400 -0.100 0.000 0.800 173 E CB -0.123 29.497 29.700 -0.133 0.000 0.746 173 E HN 0.529 nan 8.360 nan 0.000 0.452 174 K N 0.032 120.290 120.400 -0.237 0.000 2.062 174 K HA -0.076 4.286 4.320 0.071 0.000 0.205 174 K C 1.232 177.479 176.600 -0.589 0.000 1.051 174 K CA 1.050 57.036 56.287 -0.501 0.000 0.941 174 K CB 0.119 32.135 32.500 -0.807 0.000 0.719 174 K HN 0.025 nan 8.250 nan 0.000 0.440 175 F N 0.139 120.134 119.950 0.074 0.000 2.704 175 F HA 0.308 4.878 4.527 0.071 0.000 0.304 175 F C 1.405 177.295 175.800 0.150 0.000 1.094 175 F CA 0.219 58.290 58.000 0.118 0.000 1.275 175 F CB 0.266 39.368 39.000 0.170 0.000 1.073 175 F HN 0.260 nan 8.300 nan 0.000 0.586 176 G N 1.882 110.841 108.800 0.265 0.000 2.596 176 G HA2 -0.405 3.598 3.960 0.071 0.000 0.295 176 G HA3 -0.405 3.598 3.960 0.071 0.000 0.295 176 G C 1.054 176.180 174.900 0.378 0.000 1.240 176 G CA 0.608 45.854 45.100 0.243 0.000 0.985 176 G HN 0.388 nan 8.290 nan 0.000 0.555 177 D N 0.535 121.094 120.400 0.265 0.000 2.311 177 D HA -0.106 4.576 4.640 0.071 0.000 0.212 177 D C 1.734 178.136 176.300 0.169 0.000 0.972 177 D CA 1.556 55.691 54.000 0.225 0.000 0.887 177 D CB -0.111 40.765 40.800 0.128 0.000 0.915 177 D HN 0.588 nan 8.370 nan 0.000 0.497 178 K N 0.665 121.183 120.400 0.197 0.000 2.410 178 K HA 0.066 4.428 4.320 0.071 0.000 0.200 178 K C 1.713 178.396 176.600 0.138 0.000 1.023 178 K CA -0.296 56.060 56.287 0.115 0.000 1.149 178 K CB -0.154 32.417 32.500 0.118 0.000 0.859 178 K HN 0.384 nan 8.250 nan 0.000 0.514 179 W N 1.194 122.582 121.300 0.147 0.000 2.392 179 W HA -0.146 4.556 4.660 0.069 0.000 0.279 179 W C 0.752 177.314 176.519 0.072 0.000 1.225 179 W CA 1.533 58.955 57.345 0.128 0.000 1.233 179 W CB -0.883 28.692 29.460 0.191 0.000 1.122 179 W HN 0.021 nan 8.180 nan 0.000 0.561 180 T N -0.849 113.345 114.554 -0.599 0.000 3.129 180 T HA 0.010 4.403 4.350 0.071 0.000 0.251 180 T C 0.871 175.514 174.700 -0.095 0.000 1.117 180 T CA 0.093 61.854 62.100 -0.564 0.000 1.034 180 T CB -0.174 68.306 68.868 -0.645 0.000 0.968 180 T HN -0.073 nan 8.240 nan 0.000 0.526 181 Q N 1.905 121.669 119.800 -0.061 0.000 2.392 181 Q HA 0.200 4.583 4.340 0.071 0.000 0.262 181 Q C -1.585 174.406 176.000 -0.015 0.000 1.003 181 Q CA -2.172 53.627 55.803 -0.006 0.000 0.888 181 Q CB 1.207 29.900 28.738 -0.075 0.000 1.260 181 Q HN 0.128 nan 8.270 nan 0.000 0.435 182 P HA -0.228 nan 4.420 nan 0.000 0.216 182 P C 0.645 177.928 177.300 -0.028 0.000 1.154 182 P CA 2.273 65.384 63.100 0.018 0.000 0.865 182 P CB 0.145 31.870 31.700 0.042 0.000 0.789 183 A N -1.327 121.454 122.820 -0.064 0.000 2.121 183 A HA -0.136 4.226 4.320 0.071 0.000 0.218 183 A C 1.892 179.362 177.584 -0.191 0.000 1.154 183 A CA 1.509 53.488 52.037 -0.096 0.000 0.679 183 A CB -0.799 18.146 19.000 -0.092 0.000 0.795 183 A HN 0.171 nan 8.150 nan 0.000 0.458 184 N N -1.095 117.438 118.700 -0.279 0.000 2.463 184 N HA 0.173 4.955 4.740 0.071 0.000 0.183 184 N C 0.513 175.950 175.510 -0.122 0.000 1.064 184 N CA -0.180 52.577 53.050 -0.488 0.000 0.879 184 N CB 0.056 38.022 38.487 -0.869 0.000 1.148 184 N HN 0.502 nan 8.380 nan 0.000 0.451 185 I N 1.857 122.427 120.570 -0.000 0.000 2.813 185 I HA -0.045 4.168 4.170 0.071 0.000 0.287 185 I C -0.666 175.559 176.117 0.180 0.000 1.196 185 I CA 0.190 61.589 61.300 0.165 0.000 1.421 185 I CB 0.618 38.655 38.000 0.062 0.000 1.365 185 I HN -0.287 nan 8.210 nan 0.000 0.591 186 V N 5.899 125.992 119.914 0.298 0.000 2.577 186 V HA 0.444 4.606 4.120 0.071 0.000 0.303 186 V C -0.168 176.176 176.094 0.417 0.000 1.042 186 V CA -0.480 61.963 62.300 0.238 0.000 0.872 186 V CB 1.905 33.768 31.823 0.067 0.000 0.998 186 V HN 0.873 nan 8.190 nan 0.000 0.423 187 T N 0.112 114.879 114.554 0.355 0.000 2.916 187 T HA 0.475 4.867 4.350 0.071 0.000 0.292 187 T C 0.198 175.067 174.700 0.282 0.000 1.055 187 T CA -0.666 61.558 62.100 0.207 0.000 1.009 187 T CB 2.086 70.791 68.868 -0.273 0.000 1.118 187 T HN 0.639 nan 8.240 nan 0.000 0.497 188 N N -0.188 118.531 118.700 0.031 0.000 2.170 188 N HA 0.209 4.991 4.740 0.071 0.000 0.222 188 N C 0.643 176.133 175.510 -0.034 0.000 1.218 188 N CA -0.333 52.644 53.050 -0.122 0.000 0.889 188 N CB 0.351 38.441 38.487 -0.661 0.000 1.083 188 N HN 0.809 nan 8.380 nan 0.000 0.520 189 G N 0.059 108.770 108.800 -0.149 0.000 2.508 189 G HA2 0.496 4.499 3.960 0.071 0.000 0.278 189 G HA3 0.496 4.499 3.960 0.071 0.000 0.278 189 G C 0.829 175.334 174.900 -0.657 0.000 1.389 189 G CA 0.013 44.932 45.100 -0.302 0.000 1.050 189 G HN 0.217 nan 8.290 nan 0.000 0.522 190 A N -1.717 120.504 122.820 -0.999 0.000 2.121 190 A HA 0.279 4.642 4.320 0.071 0.000 0.218 190 A C 0.350 177.393 177.584 -0.901 0.000 1.154 190 A CA 0.881 52.236 52.037 -1.137 0.000 0.679 190 A CB -0.334 18.100 19.000 -0.944 0.000 0.795 190 A HN 0.455 nan 8.150 nan 0.000 0.458 191 Y N -1.104 119.051 120.300 -0.242 0.000 2.598 191 Y HA 0.582 5.172 4.550 0.066 0.000 0.340 191 Y C 0.149 175.966 175.900 -0.139 0.000 1.038 191 Y CA -0.985 57.031 58.100 -0.141 0.000 1.100 191 Y CB 1.604 40.000 38.460 -0.106 0.000 1.281 191 Y HN -0.054 nan 8.280 nan 0.000 0.488 192 K N 1.120 121.558 120.400 0.064 0.000 2.395 192 K HA 0.525 4.887 4.320 0.071 0.000 0.247 192 K C -1.777 174.831 176.600 0.013 0.000 0.973 192 K CA -1.212 55.078 56.287 0.006 0.000 0.828 192 K CB 2.569 35.081 32.500 0.021 0.000 1.272 192 K HN 0.397 nan 8.250 nan 0.000 0.439 193 L N 2.588 123.797 121.223 -0.024 0.000 2.313 193 L HA 0.151 4.533 4.340 0.071 0.000 0.282 193 L C 0.977 177.856 176.870 0.015 0.000 1.092 193 L CA 0.683 55.510 54.840 -0.022 0.000 0.831 193 L CB 0.566 42.596 42.059 -0.049 0.000 1.159 193 L HN 0.727 nan 8.230 nan 0.000 0.442 194 K N 3.537 123.952 120.400 0.026 0.000 2.172 194 K HA 0.215 4.578 4.320 0.071 0.000 0.203 194 K C -0.118 176.511 176.600 0.049 0.000 1.040 194 K CA 0.270 56.578 56.287 0.036 0.000 0.974 194 K CB 0.415 32.937 32.500 0.036 0.000 0.857 194 K HN 0.727 nan 8.250 nan 0.000 0.464 195 N N -0.613 118.126 118.700 0.064 0.000 2.242 195 N HA 0.122 4.904 4.740 0.071 0.000 0.292 195 N C -2.033 173.589 175.510 0.187 0.000 1.125 195 N CA -0.477 52.633 53.050 0.099 0.000 0.783 195 N CB 1.635 40.167 38.487 0.074 0.000 1.558 195 N HN 0.121 nan 8.380 nan 0.000 0.472 196 W N 2.714 123.996 121.300 -0.029 0.000 2.604 196 W HA 0.398 5.102 4.660 0.074 0.000 0.302 196 W C -1.921 174.581 176.519 -0.028 0.000 1.013 196 W CA -0.671 56.654 57.345 -0.033 0.000 1.338 196 W CB 0.245 29.675 29.460 -0.050 0.000 1.233 196 W HN 0.090 nan 8.180 nan 0.000 0.390 197 V N 6.559 126.635 119.914 0.271 0.000 2.318 197 V HA 0.214 4.376 4.120 0.071 0.000 0.271 197 V C 0.484 176.635 176.094 0.094 0.000 1.030 197 V CA -0.975 61.370 62.300 0.074 0.000 0.844 197 V CB 0.831 32.691 31.823 0.062 0.000 1.015 197 V HN 0.168 nan 8.190 nan 0.000 0.460 198 V N 5.635 125.493 119.914 -0.093 0.000 2.557 198 V HA 0.012 4.174 4.120 0.071 0.000 0.301 198 V C 1.234 177.351 176.094 0.038 0.000 1.026 198 V CA 0.814 63.099 62.300 -0.026 0.000 1.137 198 V CB -0.588 31.131 31.823 -0.173 0.000 0.917 198 V HN 1.157 nan 8.190 nan 0.000 0.484 199 N N 2.186 120.941 118.700 0.092 0.000 2.782 199 N HA -0.188 4.594 4.740 0.071 0.000 0.251 199 N C 0.987 176.527 175.510 0.050 0.000 1.101 199 N CA 1.024 54.110 53.050 0.061 0.000 0.764 199 N CB -0.365 38.142 38.487 0.034 0.000 1.122 199 N HN 0.878 nan 8.380 nan 0.000 0.561 200 E N 0.033 120.276 120.200 0.071 0.000 3.441 200 E HA 0.183 4.576 4.350 0.071 0.000 0.195 200 E C 0.014 176.653 176.600 0.065 0.000 1.172 200 E CA 0.472 56.904 56.400 0.054 0.000 1.457 200 E CB 0.960 30.687 29.700 0.045 0.000 1.388 200 E HN 0.405 nan 8.360 nan 0.000 0.551 201 R N -0.141 120.422 120.500 0.105 0.000 2.753 201 R HA 0.460 4.843 4.340 0.071 0.000 0.272 201 R C -1.569 174.813 176.300 0.136 0.000 1.034 201 R CA -0.606 55.550 56.100 0.093 0.000 0.869 201 R CB 0.375 30.708 30.300 0.055 0.000 1.264 201 R HN -0.034 nan 8.270 nan 0.000 0.481 202 I N 2.053 122.667 120.570 0.072 0.000 2.418 202 I HA 0.368 4.581 4.170 0.071 0.000 0.287 202 I C -0.798 175.338 176.117 0.031 0.000 1.008 202 I CA -1.198 60.107 61.300 0.008 0.000 1.104 202 I CB 2.289 40.187 38.000 -0.170 0.000 1.264 202 I HN 0.317 nan 8.210 nan 0.000 0.438 203 V N 7.440 127.370 119.914 0.027 0.000 2.384 203 V HA 0.470 4.632 4.120 0.071 0.000 0.287 203 V C -0.038 176.062 176.094 0.010 0.000 1.020 203 V CA -0.538 61.770 62.300 0.015 0.000 0.850 203 V CB 1.615 33.450 31.823 0.021 0.000 0.987 203 V HN 0.467 nan 8.190 nan 0.000 0.436 204 L N 5.133 126.355 121.223 -0.001 0.000 2.334 204 L HA 0.735 5.117 4.340 0.071 0.000 0.276 204 L C 0.048 176.967 176.870 0.082 0.000 1.014 204 L CA -0.537 54.316 54.840 0.021 0.000 0.815 204 L CB 1.864 43.909 42.059 -0.023 0.000 1.268 204 L HN 0.788 nan 8.230 nan 0.000 0.428 205 E N 2.448 122.744 120.200 0.161 0.000 2.288 205 E HA 0.406 4.799 4.350 0.071 0.000 0.268 205 E C -0.818 175.928 176.600 0.242 0.000 0.885 205 E CA -1.102 55.412 56.400 0.189 0.000 0.767 205 E CB 2.209 31.965 29.700 0.092 0.000 1.220 205 E HN 0.458 nan 8.360 nan 0.000 0.427 206 R N 1.782 122.383 120.500 0.168 0.000 2.566 206 R HA -0.082 4.300 4.340 0.071 0.000 0.273 206 R C -0.634 175.596 176.300 -0.116 0.000 0.981 206 R CA 0.157 56.173 56.100 -0.140 0.000 1.091 206 R CB 0.236 30.476 30.300 -0.101 0.000 0.924 206 R HN 0.599 nan 8.270 nan 0.000 0.411 207 N N 5.712 124.283 118.700 -0.215 0.000 2.462 207 N HA 0.192 4.974 4.740 0.071 0.000 0.242 207 N C -2.003 173.485 175.510 -0.037 0.000 1.010 207 N CA -2.334 50.665 53.050 -0.084 0.000 0.939 207 N CB 1.505 39.940 38.487 -0.087 0.000 1.127 207 N HN 0.356 nan 8.380 nan 0.000 0.509 208 P HA -0.089 nan 4.420 nan 0.000 0.226 208 P C 0.507 177.831 177.300 0.039 0.000 1.153 208 P CA 1.006 64.114 63.100 0.012 0.000 0.777 208 P CB 0.473 32.182 31.700 0.017 0.000 0.794 209 Q N -1.700 118.141 119.800 0.068 0.000 2.432 209 Q HA -0.020 4.362 4.340 0.071 0.000 0.205 209 Q C 0.482 176.556 176.000 0.123 0.000 0.945 209 Q CA -0.075 55.785 55.803 0.095 0.000 0.924 209 Q CB -0.731 28.080 28.738 0.123 0.000 1.016 209 Q HN 0.341 nan 8.270 nan 0.000 0.503 210 Y N 2.438 122.711 120.300 -0.044 0.000 2.717 210 Y HA -0.170 4.420 4.550 0.066 0.000 0.330 210 Y C 1.347 177.204 175.900 -0.071 0.000 1.217 210 Y CA -0.601 57.444 58.100 -0.091 0.000 1.506 210 Y CB 0.288 38.613 38.460 -0.224 0.000 1.268 210 Y HN 0.243 nan 8.280 nan 0.000 0.561 211 W N 4.217 125.196 121.300 -0.535 0.000 2.325 211 W HA -0.210 4.490 4.660 0.067 0.000 0.299 211 W C 0.208 176.413 176.519 -0.522 0.000 1.215 211 W CA 1.423 58.496 57.345 -0.452 0.000 1.244 211 W CB -0.349 28.899 29.460 -0.353 0.000 1.140 211 W HN 0.520 nan 8.180 nan 0.000 0.523 212 D N 0.749 120.042 120.400 -1.845 0.000 2.427 212 D HA -0.017 4.665 4.640 0.071 0.000 0.224 212 D C 1.442 177.412 176.300 -0.551 0.000 1.157 212 D CA 0.037 53.274 54.000 -1.272 0.000 0.828 212 D CB -0.663 39.036 40.800 -1.836 0.000 0.974 212 D HN 0.041 nan 8.370 nan 0.000 0.498 213 N N 0.398 118.899 118.700 -0.330 0.000 2.192 213 N HA -0.199 4.583 4.740 0.071 0.000 0.188 213 N C 1.667 177.131 175.510 -0.076 0.000 1.013 213 N CA 1.591 54.593 53.050 -0.078 0.000 0.863 213 N CB 0.005 38.468 38.487 -0.039 0.000 0.990 213 N HN 0.152 nan 8.380 nan 0.000 0.430 214 A N 0.193 122.960 122.820 -0.088 0.000 2.024 214 A HA -0.124 4.239 4.320 0.071 0.000 0.220 214 A C 1.926 179.483 177.584 -0.045 0.000 1.164 214 A CA 1.321 53.327 52.037 -0.052 0.000 0.643 214 A CB -0.288 18.688 19.000 -0.041 0.000 0.806 214 A HN 0.383 nan 8.150 nan 0.000 0.451 215 K N -0.477 119.884 120.400 -0.065 0.000 2.393 215 K HA 0.054 4.416 4.320 0.071 0.000 0.193 215 K C -0.178 176.418 176.600 -0.006 0.000 1.026 215 K CA 0.193 56.457 56.287 -0.037 0.000 1.064 215 K CB 0.115 32.584 32.500 -0.052 0.000 0.833 215 K HN 0.308 nan 8.250 nan 0.000 0.521 216 T N 1.129 115.675 114.554 -0.013 0.000 2.870 216 T HA 0.072 4.464 4.350 0.071 0.000 0.300 216 T C 1.316 176.040 174.700 0.040 0.000 0.989 216 T CA -0.195 61.912 62.100 0.011 0.000 1.139 216 T CB 1.736 70.560 68.868 -0.072 0.000 0.920 216 T HN -0.192 nan 8.240 nan 0.000 0.537 217 V N 3.063 123.036 119.914 0.099 0.000 2.806 217 V HA 0.151 4.314 4.120 0.071 0.000 0.239 217 V C 1.042 177.217 176.094 0.135 0.000 1.113 217 V CA 0.204 62.571 62.300 0.111 0.000 1.137 217 V CB 0.078 31.992 31.823 0.152 0.000 0.865 217 V HN 0.726 nan 8.190 nan 0.000 0.482 218 I N 2.819 123.501 120.570 0.188 0.000 2.598 218 I HA 0.050 4.262 4.170 0.071 0.000 0.284 218 I C 1.022 177.283 176.117 0.240 0.000 1.140 218 I CA 0.579 61.993 61.300 0.191 0.000 1.420 218 I CB 0.270 38.375 38.000 0.174 0.000 1.387 218 I HN 0.330 nan 8.210 nan 0.000 0.553 219 N N 4.430 123.227 118.700 0.161 0.000 2.395 219 N HA -0.029 4.753 4.740 0.071 0.000 0.175 219 N C 0.494 176.117 175.510 0.188 0.000 1.029 219 N CA 0.519 53.660 53.050 0.151 0.000 0.897 219 N CB 0.571 39.106 38.487 0.079 0.000 0.991 219 N HN 0.670 nan 8.380 nan 0.000 0.441 220 Q N 0.418 120.292 119.800 0.123 0.000 2.309 220 Q HA 0.434 4.816 4.340 0.071 0.000 0.273 220 Q C -2.127 173.834 176.000 -0.065 0.000 1.040 220 Q CA -0.468 55.366 55.803 0.052 0.000 0.834 220 Q CB 2.467 31.222 28.738 0.028 0.000 1.345 220 Q HN -0.114 nan 8.270 nan 0.000 0.414 221 V N 2.817 122.628 119.914 -0.172 0.000 2.638 221 V HA 0.681 4.844 4.120 0.071 0.000 0.306 221 V C -1.284 174.665 176.094 -0.242 0.000 1.052 221 V CA -0.052 62.076 62.300 -0.285 0.000 0.885 221 V CB 2.356 33.892 31.823 -0.478 0.000 0.999 221 V HN 0.914 nan 8.190 nan 0.000 0.424 222 T N 6.723 121.120 114.554 -0.261 0.000 2.794 222 T HA 0.596 4.988 4.350 0.071 0.000 0.280 222 T C -1.332 173.187 174.700 -0.301 0.000 0.987 222 T CA 0.064 62.059 62.100 -0.175 0.000 0.993 222 T CB 0.949 69.758 68.868 -0.098 0.000 0.939 222 T HN 0.560 nan 8.240 nan 0.000 0.449 223 Y N 2.541 122.774 120.300 -0.112 0.000 2.328 223 Y HA 0.529 5.120 4.550 0.068 0.000 0.337 223 Y C 0.098 175.943 175.900 -0.091 0.000 0.966 223 Y CA -0.915 57.114 58.100 -0.118 0.000 1.136 223 Y CB 0.908 39.273 38.460 -0.158 0.000 1.170 223 Y HN 0.398 nan 8.280 nan 0.000 0.470 224 L N 6.075 127.321 121.223 0.039 0.000 2.344 224 L HA 0.510 4.892 4.340 0.071 0.000 0.272 224 L C -1.943 174.917 176.870 -0.017 0.000 1.035 224 L CA -1.948 52.898 54.840 0.010 0.000 0.807 224 L CB 1.760 43.813 42.059 -0.009 0.000 1.237 224 L HN 0.420 nan 8.230 nan 0.000 0.442 225 P HA 0.253 nan 4.420 nan 0.000 0.263 225 P C -0.329 176.926 177.300 -0.076 0.000 1.821 225 P CA -0.092 62.972 63.100 -0.060 0.000 1.186 225 P CB -0.045 31.656 31.700 0.001 0.000 1.623 226 I N 1.003 121.525 120.570 -0.079 0.000 2.379 226 I HA 0.033 4.246 4.170 0.071 0.000 0.290 226 I C 1.652 177.710 176.117 -0.098 0.000 1.063 226 I CA 0.097 61.359 61.300 -0.062 0.000 1.351 226 I CB 0.775 38.755 38.000 -0.033 0.000 1.410 226 I HN 0.001 nan 8.210 nan 0.000 0.505 227 S N 2.261 117.914 115.700 -0.078 0.000 2.501 227 S HA -0.024 4.489 4.470 0.071 0.000 0.220 227 S C 1.014 175.588 174.600 -0.044 0.000 0.997 227 S CA -0.299 57.850 58.200 -0.085 0.000 0.919 227 S CB 0.083 63.251 63.200 -0.052 0.000 0.778 227 S HN 0.611 nan 8.310 nan 0.000 0.523 228 S N 1.373 117.058 115.700 -0.025 0.000 2.422 228 S HA 0.240 4.752 4.470 0.071 0.000 0.283 228 S C 0.651 175.244 174.600 -0.013 0.000 1.163 228 S CA -0.541 57.652 58.200 -0.012 0.000 1.054 228 S CB 0.661 63.860 63.200 -0.001 0.000 0.967 228 S HN 0.347 nan 8.310 nan 0.000 0.499 229 E N 3.586 123.776 120.200 -0.017 0.000 2.150 229 E HA -0.075 4.317 4.350 0.071 0.000 0.193 229 E C 1.891 178.487 176.600 -0.006 0.000 0.985 229 E CA 0.979 57.373 56.400 -0.010 0.000 0.814 229 E CB -0.165 29.519 29.700 -0.027 0.000 0.752 229 E HN 0.573 nan 8.360 nan 0.000 0.466 230 V N 0.736 120.647 119.914 -0.005 0.000 2.295 230 V HA -0.278 3.885 4.120 0.071 0.000 0.246 230 V C 2.115 178.215 176.094 0.009 0.000 1.049 230 V CA 2.242 64.543 62.300 0.003 0.000 1.024 230 V CB -0.797 31.028 31.823 0.002 0.000 0.648 230 V HN 0.349 nan 8.190 nan 0.000 0.447 231 T N -0.522 114.037 114.554 0.008 0.000 2.746 231 T HA -0.222 4.170 4.350 0.071 0.000 0.267 231 T C 1.773 176.486 174.700 0.021 0.000 1.039 231 T CA 1.704 63.812 62.100 0.014 0.000 1.142 231 T CB -0.404 68.469 68.868 0.008 0.000 0.866 231 T HN 0.531 nan 8.240 nan 0.000 0.444 232 D N 1.073 121.483 120.400 0.016 0.000 2.092 232 D HA -0.101 4.581 4.640 0.071 0.000 0.193 232 D C 2.154 178.482 176.300 0.047 0.000 0.994 232 D CA 0.890 54.905 54.000 0.026 0.000 0.828 232 D CB -0.490 40.321 40.800 0.017 0.000 0.963 232 D HN 0.198 nan 8.370 nan 0.000 0.450 233 V N 1.127 121.053 119.914 0.021 0.000 2.332 233 V HA -0.245 3.917 4.120 0.071 0.000 0.248 233 V C 2.264 178.416 176.094 0.095 0.000 1.055 233 V CA 1.788 64.104 62.300 0.027 0.000 1.038 233 V CB -0.662 31.155 31.823 -0.009 0.000 0.651 233 V HN 0.238 nan 8.190 nan 0.000 0.450 234 N N 0.528 119.265 118.700 0.062 0.000 2.069 234 N HA -0.156 4.626 4.740 0.071 0.000 0.191 234 N C 1.948 177.499 175.510 0.070 0.000 1.031 234 N CA 1.469 54.554 53.050 0.059 0.000 0.852 234 N CB -0.375 38.133 38.487 0.034 0.000 1.018 234 N HN 0.492 nan 8.380 nan 0.000 0.423 235 R N -0.698 119.844 120.500 0.069 0.000 2.189 235 R HA -0.058 4.325 4.340 0.071 0.000 0.218 235 R C 1.844 178.193 176.300 0.080 0.000 1.074 235 R CA 0.438 56.573 56.100 0.058 0.000 0.991 235 R CB -0.233 30.091 30.300 0.041 0.000 0.883 235 R HN 0.360 nan 8.270 nan 0.000 0.457 236 Y N 1.518 121.808 120.300 -0.017 0.000 2.153 236 Y HA -0.100 4.491 4.550 0.068 0.000 0.289 236 Y C 2.002 177.893 175.900 -0.015 0.000 1.127 236 Y CA 1.321 59.404 58.100 -0.029 0.000 1.131 236 Y CB 0.068 38.494 38.460 -0.056 0.000 0.995 236 Y HN -0.213 nan 8.280 nan 0.000 0.505 237 R N 0.047 120.655 120.500 0.179 0.000 2.189 237 R HA -0.092 4.290 4.340 0.071 0.000 0.223 237 R C 2.387 178.689 176.300 0.003 0.000 1.092 237 R CA 1.208 57.350 56.100 0.071 0.000 0.989 237 R CB -0.452 29.922 30.300 0.123 0.000 0.876 237 R HN 0.502 nan 8.270 nan 0.000 0.457 238 S N -0.956 114.751 115.700 0.011 0.000 2.489 238 S HA 0.057 4.569 4.470 0.071 0.000 0.228 238 S C 1.502 176.099 174.600 -0.005 0.000 0.995 238 S CA 0.757 58.961 58.200 0.006 0.000 0.934 238 S CB 0.523 63.730 63.200 0.013 0.000 0.771 238 S HN 0.493 nan 8.310 nan 0.000 0.522 239 G N 0.953 109.733 108.800 -0.032 0.000 2.218 239 G HA2 -0.272 3.731 3.960 0.071 0.000 0.216 239 G HA3 -0.272 3.731 3.960 0.071 0.000 0.216 239 G C 0.644 175.543 174.900 -0.002 0.000 0.994 239 G CA 0.430 45.525 45.100 -0.009 0.000 0.637 239 G HN 0.518 nan 8.290 nan 0.000 0.505 240 E N -0.030 120.165 120.200 -0.008 0.000 2.072 240 E HA 0.090 4.482 4.350 0.071 0.000 0.191 240 E C 0.872 177.471 176.600 -0.002 0.000 0.985 240 E CA 0.555 56.955 56.400 -0.001 0.000 0.801 240 E CB -0.033 29.669 29.700 0.004 0.000 0.750 240 E HN 0.610 nan 8.360 nan 0.000 0.452 241 I N 1.600 122.166 120.570 -0.007 0.000 2.359 241 I HA 0.060 4.273 4.170 0.071 0.000 0.294 241 I C 0.370 176.468 176.117 -0.032 0.000 0.987 241 I CA -0.574 60.733 61.300 0.013 0.000 1.225 241 I CB 1.610 39.661 38.000 0.084 0.000 1.366 241 I HN -0.014 nan 8.210 nan 0.000 0.466 242 D N 5.449 125.841 120.400 -0.014 0.000 2.240 242 D HA 0.136 4.819 4.640 0.071 0.000 0.206 242 D C 0.223 176.528 176.300 0.008 0.000 0.963 242 D CA 1.344 55.307 54.000 -0.060 0.000 0.863 242 D CB 0.511 41.309 40.800 -0.003 0.000 0.973 242 D HN 0.409 nan 8.370 nan 0.000 0.501 243 M N 0.704 120.318 119.600 0.023 0.000 2.213 243 M HA 0.162 4.685 4.480 0.071 0.000 0.286 243 M C -0.222 176.054 176.300 -0.040 0.000 1.008 243 M CA -0.485 54.785 55.300 -0.051 0.000 0.937 243 M CB 2.698 35.173 32.600 -0.208 0.000 1.600 243 M HN -0.223 nan 8.290 nan 0.000 0.450 244 T N -0.639 113.850 114.554 -0.108 0.000 2.754 244 T HA 0.332 4.724 4.350 0.071 0.000 0.286 244 T C -0.233 174.436 174.700 -0.053 0.000 0.997 244 T CA -0.327 61.721 62.100 -0.086 0.000 0.982 244 T CB 0.961 69.713 68.868 -0.193 0.000 1.027 244 T HN 0.484 nan 8.240 nan 0.000 0.529 245 Y N 1.777 122.003 120.300 -0.123 0.000 2.296 245 Y HA 0.264 4.858 4.550 0.073 0.000 0.343 245 Y C 0.977 176.807 175.900 -0.117 0.000 1.292 245 Y CA -0.977 57.054 58.100 -0.115 0.000 1.490 245 Y CB 0.506 38.906 38.460 -0.101 0.000 1.359 245 Y HN 0.813 nan 8.280 nan 0.000 0.599 246 N N 2.604 120.810 118.700 -0.824 0.000 3.271 246 N HA 0.154 4.936 4.740 0.071 0.000 0.303 246 N C -1.777 173.516 175.510 -0.362 0.000 1.415 246 N CA -0.274 52.470 53.050 -0.510 0.000 1.159 246 N CB -0.602 37.603 38.487 -0.470 0.000 1.432 246 N HN 0.388 nan 8.380 nan 0.000 0.521 247 N N 1.001 119.592 118.700 -0.180 0.000 2.519 247 N HA 0.302 5.084 4.740 0.071 0.000 0.286 247 N C -0.928 174.550 175.510 -0.053 0.000 1.079 247 N CA -0.267 52.774 53.050 -0.015 0.000 0.878 247 N CB 1.371 39.927 38.487 0.115 0.000 1.375 247 N HN 0.229 nan 8.380 nan 0.000 0.514 248 M N 2.431 121.963 119.600 -0.114 0.000 2.363 248 M HA 0.458 4.980 4.480 0.071 0.000 0.343 248 M C -2.236 174.005 176.300 -0.098 0.000 1.165 248 M CA -2.142 53.093 55.300 -0.109 0.000 1.046 248 M CB 1.345 33.822 32.600 -0.203 0.000 1.648 248 M HN 0.152 nan 8.290 nan 0.000 0.452 249 P HA 0.166 nan 4.420 nan 0.000 0.271 249 P C 0.670 177.970 177.300 0.000 0.000 1.226 249 P CA 0.102 63.190 63.100 -0.019 0.000 0.765 249 P CB 0.626 32.329 31.700 0.005 0.000 0.835 250 I N 2.049 122.597 120.570 -0.037 0.000 2.315 250 I HA -0.262 3.950 4.170 0.071 0.000 0.248 250 I C 1.938 178.060 176.117 0.009 0.000 1.117 250 I CA 1.523 62.807 61.300 -0.026 0.000 1.404 250 I CB -0.344 37.619 38.000 -0.061 0.000 1.071 250 I HN 0.310 nan 8.210 nan 0.000 0.419 251 E N 0.901 121.101 120.200 0.002 0.000 2.058 251 E HA -0.187 4.205 4.350 0.071 0.000 0.194 251 E C 1.974 178.583 176.600 0.015 0.000 0.997 251 E CA 1.409 57.811 56.400 0.004 0.000 0.801 251 E CB -0.132 29.568 29.700 -0.001 0.000 0.746 251 E HN 0.475 nan 8.360 nan 0.000 0.450 252 L N -1.322 119.919 121.223 0.030 0.000 2.609 252 L HA 0.203 4.585 4.340 0.071 0.000 0.230 252 L C 1.712 178.603 176.870 0.036 0.000 1.087 252 L CA -0.280 54.574 54.840 0.022 0.000 0.874 252 L CB -0.073 41.994 42.059 0.013 0.000 1.114 252 L HN 0.035 nan 8.230 nan 0.000 0.488 253 F N 2.011 121.921 119.950 -0.066 0.000 2.091 253 F HA -0.293 4.275 4.527 0.068 0.000 0.299 253 F C 2.672 178.433 175.800 -0.066 0.000 1.103 253 F CA 1.843 59.798 58.000 -0.075 0.000 1.228 253 F CB -0.015 38.934 39.000 -0.084 0.000 0.984 253 F HN 0.081 nan 8.300 nan 0.000 0.477 254 Q N 0.423 120.188 119.800 -0.059 0.000 2.061 254 Q HA -0.208 4.175 4.340 0.071 0.000 0.204 254 Q C 2.296 178.174 176.000 -0.205 0.000 0.984 254 Q CA 1.399 57.112 55.803 -0.149 0.000 0.846 254 Q CB -0.786 27.931 28.738 -0.035 0.000 0.902 254 Q HN 0.298 nan 8.270 nan 0.000 0.421 255 K N 0.850 121.168 120.400 -0.136 0.000 2.063 255 K HA -0.053 4.309 4.320 0.071 0.000 0.208 255 K C 2.267 178.770 176.600 -0.162 0.000 1.048 255 K CA 0.787 57.003 56.287 -0.119 0.000 0.928 255 K CB -0.512 31.946 32.500 -0.071 0.000 0.713 255 K HN 0.236 nan 8.250 nan 0.000 0.442 256 L N 0.610 121.703 121.223 -0.218 0.000 2.042 256 L HA -0.213 4.169 4.340 0.071 0.000 0.210 256 L C 2.438 179.136 176.870 -0.287 0.000 1.076 256 L CA 1.237 55.937 54.840 -0.235 0.000 0.749 256 L CB -0.445 41.458 42.059 -0.260 0.000 0.893 256 L HN 0.065 nan 8.230 nan 0.000 0.432 257 K N 0.389 120.528 120.400 -0.436 0.000 2.097 257 K HA -0.156 4.206 4.320 0.071 0.000 0.206 257 K C 2.001 178.479 176.600 -0.204 0.000 1.049 257 K CA 1.421 57.492 56.287 -0.361 0.000 0.933 257 K CB 0.065 32.299 32.500 -0.443 0.000 0.717 257 K HN 0.064 nan 8.250 nan 0.000 0.442 258 K N 0.183 120.480 120.400 -0.172 0.000 2.262 258 K HA 0.027 4.389 4.320 0.071 0.000 0.200 258 K C 1.845 178.393 176.600 -0.088 0.000 1.049 258 K CA 0.895 57.115 56.287 -0.110 0.000 0.979 258 K CB 0.199 32.644 32.500 -0.092 0.000 0.773 258 K HN 0.341 nan 8.250 nan 0.000 0.474 259 E N 0.773 120.917 120.200 -0.094 0.000 2.060 259 E HA 0.014 4.407 4.350 0.071 0.000 0.189 259 E C 0.867 177.433 176.600 -0.056 0.000 0.974 259 E CA 0.753 57.115 56.400 -0.064 0.000 0.808 259 E CB 0.217 29.883 29.700 -0.056 0.000 0.768 259 E HN 0.286 nan 8.360 nan 0.000 0.453 260 I N -2.167 118.359 120.570 -0.073 0.000 2.926 260 I HA 0.265 4.477 4.170 0.071 0.000 0.295 260 I C -2.394 173.674 176.117 -0.080 0.000 1.463 260 I CA -1.875 59.391 61.300 -0.057 0.000 0.892 260 I CB 1.289 39.273 38.000 -0.028 0.000 1.874 260 I HN -0.219 nan 8.210 nan 0.000 0.620 261 P HA -0.159 nan 4.420 nan 0.000 0.216 261 P C 0.926 178.186 177.300 -0.067 0.000 1.153 261 P CA 1.545 64.595 63.100 -0.084 0.000 0.858 261 P CB 0.071 31.730 31.700 -0.068 0.000 0.789 262 N N -0.080 118.588 118.700 -0.053 0.000 2.396 262 N HA -0.099 4.683 4.740 0.071 0.000 0.180 262 N C 1.486 176.963 175.510 -0.054 0.000 1.028 262 N CA 0.888 53.910 53.050 -0.046 0.000 0.893 262 N CB -0.260 38.206 38.487 -0.036 0.000 0.967 262 N HN 0.433 nan 8.380 nan 0.000 0.440 263 E N 0.062 120.225 120.200 -0.063 0.000 2.447 263 E HA 0.086 4.479 4.350 0.071 0.000 0.195 263 E C -0.145 176.398 176.600 -0.094 0.000 1.028 263 E CA -0.018 56.341 56.400 -0.069 0.000 0.876 263 E CB 0.700 30.385 29.700 -0.024 0.000 0.885 263 E HN -0.025 nan 8.360 nan 0.000 0.500 264 V N 3.826 123.686 119.914 -0.091 0.000 2.356 264 V HA 0.108 4.270 4.120 0.071 0.000 0.258 264 V C 0.077 176.153 176.094 -0.030 0.000 1.065 264 V CA -0.269 61.982 62.300 -0.082 0.000 0.935 264 V CB 0.137 31.886 31.823 -0.122 0.000 1.061 264 V HN 0.117 nan 8.190 nan 0.000 0.484 265 R N 4.088 124.580 120.500 -0.013 0.000 2.221 265 R HA 0.548 4.931 4.340 0.071 0.000 0.327 265 R C -0.818 175.500 176.300 0.028 0.000 1.033 265 R CA -0.471 55.644 56.100 0.024 0.000 0.887 265 R CB 1.474 31.839 30.300 0.109 0.000 1.057 265 R HN 0.413 nan 8.270 nan 0.000 0.455 266 V N 4.403 124.328 119.914 0.020 0.000 2.409 266 V HA 0.319 4.482 4.120 0.071 0.000 0.290 266 V C -0.427 175.661 176.094 -0.009 0.000 1.017 266 V CA -0.657 61.655 62.300 0.020 0.000 0.841 266 V CB 1.795 33.654 31.823 0.059 0.000 1.003 266 V HN 0.662 nan 8.190 nan 0.000 0.426 267 D N 4.815 125.200 120.400 -0.026 0.000 2.523 267 D HA 0.472 5.154 4.640 0.071 0.000 0.236 267 D C -2.855 173.445 176.300 0.001 0.000 1.094 267 D CA -1.462 52.515 54.000 -0.038 0.000 0.942 267 D CB 2.846 43.595 40.800 -0.086 0.000 1.447 267 D HN 0.183 nan 8.370 nan 0.000 0.479 268 P HA 0.026 nan 4.420 nan 0.000 0.265 268 P C -0.937 176.498 177.300 0.225 0.000 1.187 268 P CA 0.281 63.417 63.100 0.060 0.000 0.766 268 P CB 0.206 31.908 31.700 0.002 0.000 0.820 269 Y N 2.264 122.672 120.300 0.180 0.000 2.401 269 Y HA 0.325 4.919 4.550 0.072 0.000 0.330 269 Y C -0.772 175.294 175.900 0.276 0.000 1.071 269 Y CA -1.288 56.919 58.100 0.178 0.000 1.049 269 Y CB 1.309 39.852 38.460 0.139 0.000 1.239 269 Y HN 0.158 nan 8.280 nan 0.000 0.437 270 L N 6.191 127.519 121.223 0.175 0.000 2.423 270 L HA 0.290 4.673 4.340 0.071 0.000 0.249 270 L C -0.294 176.492 176.870 -0.140 0.000 1.276 270 L CA 0.111 54.915 54.840 -0.059 0.000 1.199 270 L CB -0.241 41.777 42.059 -0.067 0.000 1.407 270 L HN 0.560 nan 8.230 nan 0.000 0.410 271 C N 0.357 119.561 119.300 -0.160 0.000 2.797 271 C HA 0.723 5.225 4.460 0.071 0.000 0.306 271 C C 0.110 175.257 174.990 0.263 0.000 1.207 271 C CA -0.144 58.777 59.018 -0.161 0.000 1.507 271 C CB 2.212 29.354 27.740 -0.997 0.000 2.028 271 C HN 0.551 nan 8.230 nan 0.000 0.475 272 T N 3.603 118.404 114.554 0.413 0.000 2.812 272 T HA 0.389 4.781 4.350 0.071 0.000 0.282 272 T C -1.374 173.675 174.700 0.582 0.000 0.990 272 T CA -0.079 62.310 62.100 0.480 0.000 0.960 272 T CB 0.890 69.962 68.868 0.339 0.000 0.948 272 T HN 0.544 nan 8.240 nan 0.000 0.438 273 Y N 4.894 125.252 120.300 0.098 0.000 2.327 273 Y HA 0.543 5.134 4.550 0.069 0.000 0.336 273 Y C -0.718 175.097 175.900 -0.141 0.000 1.035 273 Y CA -0.721 57.225 58.100 -0.257 0.000 1.165 273 Y CB 0.369 37.993 38.460 -1.393 0.000 1.181 273 Y HN 0.701 nan 8.280 nan 0.000 0.494 274 Y N 2.481 122.644 120.300 -0.229 0.000 2.670 274 Y HA 0.584 5.176 4.550 0.070 0.000 0.334 274 Y C -2.400 173.293 175.900 -0.344 0.000 1.185 274 Y CA -2.381 55.634 58.100 -0.142 0.000 1.053 274 Y CB 0.621 39.078 38.460 -0.005 0.000 1.298 274 Y HN 0.394 nan 8.280 nan 0.000 0.459 275 Y N 1.278 121.680 120.300 0.170 0.000 2.353 275 Y HA 0.323 4.916 4.550 0.072 0.000 0.340 275 Y C 0.215 176.193 175.900 0.129 0.000 0.972 275 Y CA -0.800 57.360 58.100 0.099 0.000 1.157 275 Y CB 1.424 40.037 38.460 0.255 0.000 1.157 275 Y HN 0.689 nan 8.280 nan 0.000 0.495 276 E N 4.587 124.842 120.200 0.091 0.000 2.257 276 E HA 0.287 4.680 4.350 0.071 0.000 0.278 276 E C -0.923 175.793 176.600 0.194 0.000 1.049 276 E CA -0.220 56.270 56.400 0.149 0.000 0.876 276 E CB 0.510 30.209 29.700 -0.000 0.000 1.035 276 E HN 0.606 nan 8.360 nan 0.000 0.419 277 I N 4.253 124.877 120.570 0.090 0.000 2.385 277 I HA 0.081 4.294 4.170 0.071 0.000 0.294 277 I C 0.384 176.434 176.117 -0.112 0.000 0.988 277 I CA -0.750 60.501 61.300 -0.082 0.000 1.265 277 I CB 1.107 39.040 38.000 -0.112 0.000 1.388 277 I HN 0.489 nan 8.210 nan 0.000 0.480 278 N N 4.979 123.434 118.700 -0.407 0.000 2.402 278 N HA 0.044 4.827 4.740 0.071 0.000 0.259 278 N C 0.426 175.814 175.510 -0.204 0.000 1.167 278 N CA 0.226 52.976 53.050 -0.501 0.000 0.949 278 N CB 0.152 37.958 38.487 -1.135 0.000 1.212 278 N HN 0.440 nan 8.380 nan 0.000 0.493 279 N N 2.043 120.716 118.700 -0.045 0.000 2.453 279 N HA -0.081 4.702 4.740 0.071 0.000 0.183 279 N C 0.556 176.069 175.510 0.004 0.000 1.041 279 N CA 0.962 54.025 53.050 0.022 0.000 0.900 279 N CB 0.188 38.735 38.487 0.099 0.000 0.961 279 N HN 0.660 nan 8.380 nan 0.000 0.443 280 Q N -0.598 119.177 119.800 -0.042 0.000 2.319 280 Q HA 0.141 4.523 4.340 0.071 0.000 0.202 280 Q C -0.110 175.843 176.000 -0.078 0.000 0.896 280 Q CA 0.181 55.949 55.803 -0.059 0.000 0.942 280 Q CB 0.616 29.306 28.738 -0.080 0.000 1.083 280 Q HN 0.126 nan 8.270 nan 0.000 0.510 281 K N 1.211 121.571 120.400 -0.066 0.000 2.339 281 K HA 0.504 4.866 4.320 0.071 0.000 0.264 281 K C -0.986 175.639 176.600 0.041 0.000 0.986 281 K CA -0.408 55.863 56.287 -0.027 0.000 0.866 281 K CB 1.259 33.719 32.500 -0.067 0.000 1.103 281 K HN 0.015 nan 8.250 nan 0.000 0.441 282 A N 4.640 127.440 122.820 -0.033 0.000 2.445 282 A HA 0.222 4.585 4.320 0.071 0.000 0.242 282 A C -1.737 175.725 177.584 -0.202 0.000 1.075 282 A CA -0.887 51.085 52.037 -0.108 0.000 0.777 282 A CB -0.052 18.898 19.000 -0.084 0.000 1.013 282 A HN 0.675 nan 8.150 nan 0.000 0.493 283 P HA 0.165 nan 4.420 nan 0.000 0.258 283 P C -0.059 176.902 177.300 -0.565 0.000 1.416 283 P CA 0.239 63.077 63.100 -0.437 0.000 0.927 283 P CB -0.094 31.436 31.700 -0.284 0.000 1.444 284 F N 1.267 121.130 119.950 -0.145 0.000 2.811 284 F HA 0.055 4.625 4.527 0.071 0.000 0.301 284 F C 1.736 177.461 175.800 -0.125 0.000 1.151 284 F CA 0.183 58.072 58.000 -0.185 0.000 1.412 284 F CB -0.843 38.004 39.000 -0.255 0.000 1.113 284 F HN 0.037 nan 8.300 nan 0.000 0.579 285 N N -0.772 117.925 118.700 -0.006 0.000 2.336 285 N HA -0.063 4.719 4.740 0.071 0.000 0.189 285 N C -0.361 175.137 175.510 -0.020 0.000 1.113 285 N CA 0.257 53.303 53.050 -0.008 0.000 0.858 285 N CB -0.291 38.182 38.487 -0.022 0.000 0.970 285 N HN 0.104 nan 8.380 nan 0.000 0.471 286 D N 0.624 121.001 120.400 -0.038 0.000 2.373 286 D HA 0.059 4.741 4.640 0.071 0.000 0.227 286 D C 0.882 177.169 176.300 -0.023 0.000 1.091 286 D CA -0.590 53.391 54.000 -0.033 0.000 0.840 286 D CB 2.112 42.887 40.800 -0.042 0.000 1.060 286 D HN -0.173 nan 8.370 nan 0.000 0.502 287 V N 5.721 125.631 119.914 -0.007 0.000 2.469 287 V HA -0.247 3.916 4.120 0.071 0.000 0.251 287 V C 2.132 178.215 176.094 -0.019 0.000 1.064 287 V CA 1.885 64.182 62.300 -0.005 0.000 1.066 287 V CB -0.192 31.638 31.823 0.011 0.000 0.667 287 V HN 0.532 nan 8.190 nan 0.000 0.461 288 R N -0.845 119.647 120.500 -0.013 0.000 2.096 288 R HA -0.099 4.284 4.340 0.071 0.000 0.235 288 R C 2.151 178.429 176.300 -0.036 0.000 1.127 288 R CA 1.582 57.675 56.100 -0.012 0.000 0.968 288 R CB -0.522 29.783 30.300 0.009 0.000 0.861 288 R HN 0.499 nan 8.270 nan 0.000 0.440 289 V N 1.112 120.995 119.914 -0.052 0.000 2.307 289 V HA -0.238 3.924 4.120 0.071 0.000 0.245 289 V C 2.314 178.325 176.094 -0.138 0.000 1.045 289 V CA 1.730 63.957 62.300 -0.123 0.000 1.024 289 V CB -0.489 31.222 31.823 -0.187 0.000 0.651 289 V HN 0.301 nan 8.190 nan 0.000 0.449 290 R N -0.102 120.348 120.500 -0.084 0.000 2.081 290 R HA -0.140 4.243 4.340 0.071 0.000 0.235 290 R C 2.381 178.619 176.300 -0.102 0.000 1.131 290 R CA 1.944 57.997 56.100 -0.078 0.000 0.960 290 R CB -0.886 29.390 30.300 -0.039 0.000 0.856 290 R HN 0.497 nan 8.270 nan 0.000 0.436 291 T N 1.114 115.611 114.554 -0.096 0.000 2.788 291 T HA -0.121 4.272 4.350 0.071 0.000 0.268 291 T C 1.985 176.607 174.700 -0.130 0.000 1.044 291 T CA 1.365 63.388 62.100 -0.128 0.000 1.139 291 T CB -0.218 68.596 68.868 -0.090 0.000 0.867 291 T HN 0.384 nan 8.240 nan 0.000 0.454 292 A N 1.367 124.126 122.820 -0.102 0.000 1.877 292 A HA -0.007 4.355 4.320 0.071 0.000 0.216 292 A C 2.311 179.827 177.584 -0.113 0.000 1.186 292 A CA 1.229 53.212 52.037 -0.090 0.000 0.620 292 A CB -0.872 18.068 19.000 -0.101 0.000 0.822 292 A HN 0.471 nan 8.150 nan 0.000 0.443 293 L N -0.685 120.412 121.223 -0.209 0.000 2.046 293 L HA -0.214 4.168 4.340 0.071 0.000 0.208 293 L C 2.672 179.637 176.870 0.159 0.000 1.077 293 L CA 1.995 56.670 54.840 -0.275 0.000 0.747 293 L CB -0.468 41.301 42.059 -0.484 0.000 0.896 293 L HN 0.487 nan 8.230 nan 0.000 0.432 294 K N 0.676 121.088 120.400 0.021 0.000 2.026 294 K HA -0.183 4.180 4.320 0.071 0.000 0.208 294 K C 2.124 178.655 176.600 -0.115 0.000 1.048 294 K CA 1.416 57.685 56.287 -0.030 0.000 0.929 294 K CB -0.064 32.298 32.500 -0.230 0.000 0.713 294 K HN 0.234 nan 8.250 nan 0.000 0.439 295 L N 0.138 121.254 121.223 -0.178 0.000 2.109 295 L HA -0.046 4.336 4.340 0.071 0.000 0.207 295 L C 2.543 179.482 176.870 0.116 0.000 1.086 295 L CA 0.950 55.726 54.840 -0.108 0.000 0.760 295 L CB -0.428 41.590 42.059 -0.068 0.000 0.910 295 L HN 0.243 nan 8.230 nan 0.000 0.437 296 A N -0.076 122.853 122.820 0.182 0.000 2.119 296 A HA -0.036 4.326 4.320 0.071 0.000 0.217 296 A C 1.234 179.022 177.584 0.340 0.000 1.153 296 A CA 0.202 52.401 52.037 0.270 0.000 0.692 296 A CB -0.448 18.716 19.000 0.273 0.000 0.799 296 A HN 0.304 nan 8.150 nan 0.000 0.458 297 L N 0.819 122.270 121.223 0.380 0.000 2.410 297 L HA 0.145 4.528 4.340 0.071 0.000 0.273 297 L C -0.579 176.370 176.870 0.130 0.000 1.144 297 L CA -0.362 54.570 54.840 0.152 0.000 0.863 297 L CB 0.494 42.647 42.059 0.156 0.000 1.140 297 L HN 0.104 nan 8.230 nan 0.000 0.463 298 D N 4.693 125.128 120.400 0.058 0.000 2.411 298 D HA 0.130 4.813 4.640 0.071 0.000 0.225 298 D C 1.044 177.384 176.300 0.065 0.000 1.156 298 D CA -0.104 53.941 54.000 0.075 0.000 0.874 298 D CB 0.871 41.699 40.800 0.045 0.000 1.034 298 D HN 0.555 nan 8.370 nan 0.000 0.502 299 R N 2.013 122.585 120.500 0.121 0.000 2.115 299 R HA -0.109 4.273 4.340 0.071 0.000 0.230 299 R C 1.416 177.758 176.300 0.069 0.000 1.111 299 R CA 0.840 57.018 56.100 0.129 0.000 0.976 299 R CB 0.142 30.584 30.300 0.235 0.000 0.870 299 R HN 0.375 nan 8.270 nan 0.000 0.445 300 D N 0.835 121.261 120.400 0.043 0.000 2.117 300 D HA -0.115 4.568 4.640 0.071 0.000 0.197 300 D C 1.720 178.018 176.300 -0.005 0.000 0.987 300 D CA 1.130 55.137 54.000 0.012 0.000 0.829 300 D CB 0.044 40.843 40.800 -0.001 0.000 0.961 300 D HN 0.131 nan 8.370 nan 0.000 0.460 301 I N 0.139 120.707 120.570 -0.003 0.000 2.113 301 I HA -0.269 3.943 4.170 0.071 0.000 0.238 301 I C 2.520 178.612 176.117 -0.041 0.000 1.070 301 I CA 0.761 62.048 61.300 -0.021 0.000 1.332 301 I CB -0.203 37.785 38.000 -0.020 0.000 1.044 301 I HN 0.013 nan 8.210 nan 0.000 0.402 302 I N -0.056 120.490 120.570 -0.039 0.000 2.099 302 I HA -0.308 3.904 4.170 0.071 0.000 0.239 302 I C 2.471 178.525 176.117 -0.104 0.000 1.066 302 I CA 1.562 62.824 61.300 -0.063 0.000 1.324 302 I CB -0.436 37.546 38.000 -0.030 0.000 1.037 302 I HN 0.012 nan 8.210 nan 0.000 0.401 303 V N 0.938 120.799 119.914 -0.089 0.000 2.295 303 V HA -0.237 3.926 4.120 0.071 0.000 0.246 303 V C 1.846 177.850 176.094 -0.151 0.000 1.049 303 V CA 2.042 64.238 62.300 -0.172 0.000 1.024 303 V CB -0.699 31.069 31.823 -0.092 0.000 0.648 303 V HN 0.463 nan 8.190 nan 0.000 0.447 304 N N -0.762 117.889 118.700 -0.082 0.000 2.356 304 N HA 0.027 4.809 4.740 0.071 0.000 0.178 304 N C 1.607 177.084 175.510 -0.056 0.000 1.075 304 N CA 0.462 53.473 53.050 -0.064 0.000 0.889 304 N CB 0.202 38.669 38.487 -0.034 0.000 0.999 304 N HN 0.443 nan 8.380 nan 0.000 0.464 305 K N 0.482 120.848 120.400 -0.056 0.000 2.225 305 K HA 0.134 4.497 4.320 0.071 0.000 0.204 305 K C 2.052 178.618 176.600 -0.057 0.000 1.047 305 K CA 0.607 56.866 56.287 -0.046 0.000 0.970 305 K CB -0.675 31.804 32.500 -0.035 0.000 0.939 305 K HN 0.091 nan 8.250 nan 0.000 0.472 306 V N 0.524 120.394 119.914 -0.073 0.000 2.446 306 V HA -0.021 4.142 4.120 0.071 0.000 0.244 306 V C 2.347 178.377 176.094 -0.107 0.000 1.039 306 V CA 1.717 63.968 62.300 -0.081 0.000 1.045 306 V CB -0.119 31.654 31.823 -0.083 0.000 0.681 306 V HN 0.133 nan 8.190 nan 0.000 0.459 307 K N 1.244 121.551 120.400 -0.155 0.000 2.108 307 K HA 0.104 4.467 4.320 0.071 0.000 0.204 307 K C 1.243 177.727 176.600 -0.194 0.000 1.036 307 K CA 1.291 57.446 56.287 -0.221 0.000 0.965 307 K CB -0.547 31.737 32.500 -0.359 0.000 0.804 307 K HN 0.610 nan 8.250 nan 0.000 0.454 308 N N 0.820 119.409 118.700 -0.186 0.000 2.686 308 N HA -0.217 4.566 4.740 0.071 0.000 0.261 308 N C -0.775 174.675 175.510 -0.100 0.000 1.001 308 N CA 0.441 53.420 53.050 -0.118 0.000 0.764 308 N CB -0.521 37.937 38.487 -0.048 0.000 0.898 308 N HN 0.522 nan 8.380 nan 0.000 0.544 309 Q N -0.579 119.077 119.800 -0.239 0.000 2.159 309 Q HA 0.226 4.608 4.340 0.071 0.000 0.217 309 Q C 1.242 177.129 176.000 -0.188 0.000 0.818 309 Q CA 0.449 56.055 55.803 -0.328 0.000 1.008 309 Q CB 0.925 29.194 28.738 -0.781 0.000 1.148 309 Q HN 0.626 nan 8.270 nan 0.000 0.491 310 G N 0.853 109.578 108.800 -0.126 0.000 2.179 310 G HA2 -0.172 3.831 3.960 0.071 0.000 0.220 310 G HA3 -0.172 3.831 3.960 0.071 0.000 0.220 310 G C -0.181 174.666 174.900 -0.087 0.000 0.990 310 G CA -0.298 44.761 45.100 -0.069 0.000 0.646 310 G HN 0.307 nan 8.290 nan 0.000 0.517 311 D N 0.176 120.458 120.400 -0.196 0.000 2.368 311 D HA 0.429 5.111 4.640 0.071 0.000 0.240 311 D C 0.304 176.577 176.300 -0.044 0.000 1.169 311 D CA 0.334 54.227 54.000 -0.178 0.000 0.906 311 D CB 1.201 41.600 40.800 -0.668 0.000 1.187 311 D HN 0.130 nan 8.370 nan 0.000 0.435 312 L N 1.882 123.174 121.223 0.115 0.000 2.341 312 L HA 0.311 4.694 4.340 0.071 0.000 0.278 312 L C -2.345 174.633 176.870 0.180 0.000 1.005 312 L CA -1.827 53.129 54.840 0.192 0.000 0.818 312 L CB 1.427 43.685 42.059 0.331 0.000 1.259 312 L HN 0.054 nan 8.230 nan 0.000 0.418 313 P HA 0.126 nan 4.420 nan 0.000 0.262 313 P C -0.902 176.459 177.300 0.102 0.000 1.182 313 P CA -0.020 63.227 63.100 0.246 0.000 0.761 313 P CB 0.595 32.531 31.700 0.394 0.000 0.795 314 A N 3.519 126.215 122.820 -0.207 0.000 2.312 314 A HA 0.557 4.919 4.320 0.071 0.000 0.328 314 A C -0.281 177.124 177.584 -0.298 0.000 1.158 314 A CA -0.395 51.200 52.037 -0.737 0.000 0.821 314 A CB 0.312 18.659 19.000 -1.089 0.000 1.170 314 A HN 0.696 nan 8.150 nan 0.000 0.490 315 Y N 0.020 120.099 120.300 -0.369 0.000 2.610 315 Y HA 0.461 5.054 4.550 0.071 0.000 0.254 315 Y C 0.323 176.194 175.900 -0.047 0.000 1.110 315 Y CA -0.083 57.803 58.100 -0.357 0.000 1.238 315 Y CB -0.408 37.377 38.460 -1.125 0.000 1.322 315 Y HN 0.654 nan 8.280 nan 0.000 0.547 316 S N -1.736 113.817 115.700 -0.246 0.000 2.685 316 S HA 0.352 4.865 4.470 0.071 0.000 0.282 316 S C -0.329 174.269 174.600 -0.004 0.000 1.159 316 S CA -0.529 57.622 58.200 -0.082 0.000 0.833 316 S CB 1.459 64.535 63.200 -0.206 0.000 1.151 316 S HN 0.120 nan 8.310 nan 0.000 0.485 317 Y N 1.923 122.117 120.300 -0.176 0.000 2.205 317 Y HA 0.295 4.889 4.550 0.073 0.000 0.292 317 Y C 1.124 176.810 175.900 -0.355 0.000 1.119 317 Y CA 1.151 59.117 58.100 -0.222 0.000 1.117 317 Y CB -0.856 37.464 38.460 -0.234 0.000 1.037 317 Y HN 0.715 nan 8.280 nan 0.000 0.510 318 T N 5.323 119.556 114.554 -0.535 0.000 2.853 318 T HA 0.143 4.536 4.350 0.071 0.000 0.298 318 T C -2.615 171.528 174.700 -0.930 0.000 0.978 318 T CA -0.933 60.523 62.100 -1.074 0.000 1.152 318 T CB 0.695 69.190 68.868 -0.622 0.000 0.914 318 T HN 0.093 nan 8.240 nan 0.000 0.539 319 P HA 0.126 nan 4.420 nan 0.000 0.267 319 P C -1.793 174.862 177.300 -1.076 0.000 1.205 319 P CA -1.506 60.829 63.100 -1.275 0.000 0.765 319 P CB 0.157 30.985 31.700 -1.453 0.000 0.828 320 P HA -0.147 nan 4.420 nan 0.000 0.225 320 P C 0.598 177.750 177.300 -0.246 0.000 1.148 320 P CA 1.512 64.347 63.100 -0.442 0.000 0.779 320 P CB -0.472 31.081 31.700 -0.246 0.000 0.780 321 Y N -2.590 117.522 120.300 -0.314 0.000 2.457 321 Y HA 0.369 4.959 4.550 0.067 0.000 0.263 321 Y C 0.547 176.347 175.900 -0.165 0.000 1.164 321 Y CA -0.985 57.002 58.100 -0.188 0.000 1.274 321 Y CB -1.789 36.582 38.460 -0.148 0.000 1.097 321 Y HN -0.325 nan 8.280 nan 0.000 0.523 322 T N 2.500 116.796 114.554 -0.431 0.000 2.940 322 T HA -0.093 4.299 4.350 0.071 0.000 0.309 322 T C -0.138 174.465 174.700 -0.161 0.000 1.056 322 T CA -0.084 61.818 62.100 -0.330 0.000 1.137 322 T CB 0.273 68.876 68.868 -0.441 0.000 0.976 322 T HN 0.277 nan 8.240 nan 0.000 0.547 323 D N 1.326 121.669 120.400 -0.095 0.000 2.389 323 D HA 0.205 4.887 4.640 0.071 0.000 0.263 323 D C 1.276 177.549 176.300 -0.044 0.000 1.255 323 D CA 1.331 55.311 54.000 -0.032 0.000 0.914 323 D CB -0.271 40.532 40.800 0.005 0.000 1.116 323 D HN 0.857 nan 8.370 nan 0.000 0.502 324 G N 2.506 111.302 108.800 -0.006 0.000 2.179 324 G HA2 -0.102 3.900 3.960 0.071 0.000 0.220 324 G HA3 -0.102 3.900 3.960 0.071 0.000 0.220 324 G C 0.310 175.239 174.900 0.048 0.000 0.990 324 G CA 0.144 45.270 45.100 0.044 0.000 0.646 324 G HN 0.909 nan 8.290 nan 0.000 0.517 325 A N 0.112 122.908 122.820 -0.040 0.000 2.320 325 A HA 0.779 5.142 4.320 0.071 0.000 0.287 325 A C 0.316 177.889 177.584 -0.019 0.000 1.181 325 A CA 0.568 52.570 52.037 -0.059 0.000 0.831 325 A CB 0.789 19.675 19.000 -0.190 0.000 1.102 325 A HN 0.702 nan 8.150 nan 0.000 0.513 326 K N 3.755 124.163 120.400 0.014 0.000 3.029 326 K HA 0.425 4.787 4.320 0.071 0.000 0.169 326 K C -1.136 175.479 176.600 0.024 0.000 1.090 326 K CA -0.098 56.199 56.287 0.018 0.000 0.883 326 K CB -0.091 32.423 32.500 0.023 0.000 1.080 326 K HN 0.704 nan 8.250 nan 0.000 0.613 327 L N 1.654 122.892 121.223 0.025 0.000 2.417 327 L HA 0.376 4.759 4.340 0.071 0.000 0.268 327 L C -0.002 176.897 176.870 0.048 0.000 1.158 327 L CA -1.193 53.681 54.840 0.056 0.000 0.819 327 L CB 1.376 43.487 42.059 0.087 0.000 1.112 327 L HN 0.023 nan 8.230 nan 0.000 0.458 328 V N 1.980 121.913 119.914 0.031 0.000 2.348 328 V HA 0.086 4.249 4.120 0.071 0.000 0.270 328 V C 0.417 176.427 176.094 -0.139 0.000 1.037 328 V CA -0.538 61.739 62.300 -0.039 0.000 0.872 328 V CB 1.086 32.896 31.823 -0.022 0.000 1.002 328 V HN 0.758 nan 8.190 nan 0.000 0.464 329 E N 8.467 128.467 120.200 -0.333 0.000 2.351 329 E HA 0.168 4.561 4.350 0.071 0.000 0.266 329 E C -2.190 174.116 176.600 -0.490 0.000 1.031 329 E CA -1.418 54.514 56.400 -0.779 0.000 0.911 329 E CB 0.966 30.154 29.700 -0.853 0.000 0.986 329 E HN 0.437 nan 8.360 nan 0.000 0.446 330 P HA -0.004 nan 4.420 nan 0.000 0.272 330 P C 0.179 177.188 177.300 -0.485 0.000 1.223 330 P CA -0.109 62.736 63.100 -0.425 0.000 0.784 330 P CB 0.799 32.216 31.700 -0.471 0.000 0.923 331 E N 1.332 121.350 120.200 -0.304 0.000 2.153 331 E HA -0.127 4.266 4.350 0.071 0.000 0.194 331 E C 1.876 178.060 176.600 -0.695 0.000 0.988 331 E CA 1.246 57.487 56.400 -0.264 0.000 0.811 331 E CB -0.519 29.191 29.700 0.018 0.000 0.746 331 E HN 0.701 nan 8.360 nan 0.000 0.466 332 W N -0.194 120.531 121.300 -0.957 0.000 2.392 332 W HA -0.149 4.554 4.660 0.071 0.000 0.279 332 W C 1.681 177.808 176.519 -0.653 0.000 1.225 332 W CA 0.260 56.655 57.345 -1.585 0.000 1.233 332 W CB -1.190 27.632 29.460 -1.063 0.000 1.122 332 W HN -0.050 nan 8.180 nan 0.000 0.561 333 F N 2.827 122.119 119.950 -1.097 0.000 2.234 333 F HA -0.027 4.542 4.527 0.071 0.000 0.299 333 F C 2.225 177.833 175.800 -0.320 0.000 1.087 333 F CA 1.779 59.292 58.000 -0.811 0.000 1.340 333 F CB -0.235 38.117 39.000 -1.081 0.000 1.031 333 F HN -0.247 nan 8.300 nan 0.000 0.500 334 K N -0.899 119.343 120.400 -0.264 0.000 2.305 334 K HA -0.082 4.280 4.320 0.071 0.000 0.199 334 K C 0.373 177.019 176.600 0.077 0.000 1.047 334 K CA 0.127 56.346 56.287 -0.113 0.000 0.976 334 K CB -0.190 32.292 32.500 -0.030 0.000 0.765 334 K HN 0.076 nan 8.250 nan 0.000 0.474 335 W N 2.096 123.390 121.300 -0.010 0.000 1.900 335 W HA 0.026 4.729 4.660 0.072 0.000 0.357 335 W C 1.210 177.731 176.519 0.002 0.000 1.390 335 W CA -1.180 56.183 57.345 0.030 0.000 1.428 335 W CB -0.541 28.982 29.460 0.104 0.000 1.295 335 W HN -0.064 nan 8.180 nan 0.000 0.666 336 S N -0.052 115.821 115.700 0.287 0.000 2.632 336 S HA 0.114 4.627 4.470 0.071 0.000 0.271 336 S C 0.728 175.448 174.600 0.199 0.000 1.260 336 S CA -0.412 57.881 58.200 0.155 0.000 1.010 336 S CB 1.654 64.905 63.200 0.085 0.000 0.965 336 S HN 0.386 nan 8.310 nan 0.000 0.534 337 Q N 1.006 120.889 119.800 0.138 0.000 2.119 337 Q HA -0.169 4.214 4.340 0.071 0.000 0.201 337 Q C 2.303 178.391 176.000 0.146 0.000 0.972 337 Q CA 2.364 58.259 55.803 0.153 0.000 0.847 337 Q CB -0.691 28.111 28.738 0.105 0.000 0.903 337 Q HN 0.983 nan 8.270 nan 0.000 0.433 338 Q N 0.075 119.935 119.800 0.100 0.000 2.096 338 Q HA -0.218 4.165 4.340 0.071 0.000 0.204 338 Q C 1.947 177.990 176.000 0.071 0.000 0.982 338 Q CA 2.155 58.002 55.803 0.072 0.000 0.850 338 Q CB -0.393 28.370 28.738 0.042 0.000 0.901 338 Q HN 0.346 nan 8.270 nan 0.000 0.422 339 K N 0.174 120.616 120.400 0.069 0.000 2.057 339 K HA -0.128 4.234 4.320 0.071 0.000 0.207 339 K C 2.278 178.964 176.600 0.143 0.000 1.049 339 K CA 1.173 57.458 56.287 -0.005 0.000 0.931 339 K CB -0.009 32.401 32.500 -0.149 0.000 0.714 339 K HN 0.223 nan 8.250 nan 0.000 0.440 340 R N 0.335 121.053 120.500 0.363 0.000 2.081 340 R HA -0.076 4.306 4.340 0.071 0.000 0.235 340 R C 2.075 178.528 176.300 0.256 0.000 1.131 340 R CA 1.578 57.955 56.100 0.462 0.000 0.960 340 R CB -0.320 30.231 30.300 0.419 0.000 0.856 340 R HN 0.300 nan 8.270 nan 0.000 0.436 341 N N 0.787 119.594 118.700 0.179 0.000 2.120 341 N HA -0.157 4.625 4.740 0.071 0.000 0.188 341 N C 1.579 177.147 175.510 0.096 0.000 1.024 341 N CA 1.174 54.301 53.050 0.128 0.000 0.852 341 N CB -0.228 38.322 38.487 0.106 0.000 1.003 341 N HN 0.300 nan 8.380 nan 0.000 0.424 342 E N 0.795 121.040 120.200 0.074 0.000 2.058 342 E HA -0.216 4.176 4.350 0.071 0.000 0.194 342 E C 1.758 178.389 176.600 0.052 0.000 0.997 342 E CA 0.958 57.383 56.400 0.042 0.000 0.801 342 E CB -0.155 29.547 29.700 0.003 0.000 0.746 342 E HN 0.369 nan 8.360 nan 0.000 0.450 343 E N 1.137 121.386 120.200 0.081 0.000 2.085 343 E HA -0.155 4.237 4.350 0.071 0.000 0.194 343 E C 1.895 178.554 176.600 0.098 0.000 0.994 343 E CA 1.476 57.943 56.400 0.113 0.000 0.801 343 E CB -0.264 29.586 29.700 0.249 0.000 0.743 343 E HN 0.227 nan 8.360 nan 0.000 0.453 344 A N 0.753 123.632 122.820 0.098 0.000 1.877 344 A HA -0.223 4.140 4.320 0.071 0.000 0.216 344 A C 2.093 179.699 177.584 0.038 0.000 1.186 344 A CA 1.958 54.028 52.037 0.055 0.000 0.620 344 A CB -0.494 18.543 19.000 0.063 0.000 0.822 344 A HN 0.227 nan 8.150 nan 0.000 0.443 345 K N -0.303 120.125 120.400 0.047 0.000 2.063 345 K HA -0.184 4.179 4.320 0.071 0.000 0.208 345 K C 2.243 178.867 176.600 0.041 0.000 1.048 345 K CA 1.672 57.983 56.287 0.041 0.000 0.928 345 K CB -0.174 32.352 32.500 0.042 0.000 0.713 345 K HN 0.542 nan 8.250 nan 0.000 0.442 346 K N 1.371 121.795 120.400 0.040 0.000 2.057 346 K HA -0.146 4.216 4.320 0.071 0.000 0.207 346 K C 2.054 178.677 176.600 0.038 0.000 1.049 346 K CA 1.189 57.497 56.287 0.035 0.000 0.931 346 K CB -0.062 32.458 32.500 0.032 0.000 0.714 346 K HN 0.061 nan 8.250 nan 0.000 0.440 347 L N 0.948 122.195 121.223 0.040 0.000 2.093 347 L HA -0.153 4.229 4.340 0.071 0.000 0.208 347 L C 2.522 179.422 176.870 0.049 0.000 1.085 347 L CA 0.590 55.452 54.840 0.036 0.000 0.755 347 L CB -0.267 41.807 42.059 0.025 0.000 0.904 347 L HN 0.297 nan 8.230 nan 0.000 0.435 348 L N -0.421 120.835 121.223 0.054 0.000 2.056 348 L HA -0.182 4.200 4.340 0.071 0.000 0.207 348 L C 2.763 179.739 176.870 0.177 0.000 1.078 348 L CA 1.681 56.590 54.840 0.114 0.000 0.749 348 L CB -0.663 41.419 42.059 0.039 0.000 0.901 348 L HN 0.271 nan 8.230 nan 0.000 0.433 349 A N -0.319 122.561 122.820 0.099 0.000 1.902 349 A HA -0.244 4.118 4.320 0.071 0.000 0.217 349 A C 2.039 179.642 177.584 0.031 0.000 1.181 349 A CA 1.670 53.747 52.037 0.067 0.000 0.623 349 A CB -0.446 18.579 19.000 0.042 0.000 0.818 349 A HN 0.503 nan 8.150 nan 0.000 0.443 350 E N -0.429 119.790 120.200 0.030 0.000 2.110 350 E HA -0.092 4.301 4.350 0.071 0.000 0.193 350 E C 2.034 178.628 176.600 -0.010 0.000 0.988 350 E CA 0.888 57.292 56.400 0.008 0.000 0.804 350 E CB -0.235 29.474 29.700 0.015 0.000 0.745 350 E HN 0.619 nan 8.360 nan 0.000 0.458 351 A N 0.158 122.993 122.820 0.025 0.000 2.235 351 A HA 0.186 4.548 4.320 0.071 0.000 0.208 351 A C 1.518 178.978 177.584 -0.207 0.000 1.172 351 A CA 0.892 52.929 52.037 0.001 0.000 0.786 351 A CB -0.210 18.887 19.000 0.162 0.000 0.804 351 A HN 0.328 nan 8.150 nan 0.000 0.479 352 G N -2.012 106.645 108.800 -0.238 0.000 2.167 352 G HA2 -0.165 3.838 3.960 0.071 0.000 0.194 352 G HA3 -0.165 3.838 3.960 0.071 0.000 0.194 352 G C -0.327 174.170 174.900 -0.671 0.000 1.027 352 G CA -0.209 44.640 45.100 -0.419 0.000 0.717 352 G HN 0.283 nan 8.290 nan 0.000 0.501 353 F N 1.537 121.460 119.950 -0.044 0.000 2.444 353 F HA 0.710 5.279 4.527 0.071 0.000 0.342 353 F C 0.993 176.779 175.800 -0.024 0.000 1.121 353 F CA 0.120 58.097 58.000 -0.037 0.000 0.997 353 F CB 2.040 41.014 39.000 -0.043 0.000 1.130 353 F HN 0.266 nan 8.300 nan 0.000 0.454 354 T N -1.036 113.595 114.554 0.128 0.000 2.768 354 T HA 0.710 5.102 4.350 0.071 0.000 0.268 354 T C 0.889 175.637 174.700 0.080 0.000 0.969 354 T CA -0.191 61.953 62.100 0.072 0.000 1.008 354 T CB 1.359 70.241 68.868 0.023 0.000 1.371 354 T HN 0.465 nan 8.240 nan 0.000 0.587 355 A N -0.339 122.511 122.820 0.049 0.000 2.021 355 A HA 0.131 4.493 4.320 0.071 0.000 0.216 355 A C 1.890 179.497 177.584 0.039 0.000 1.163 355 A CA 1.423 53.485 52.037 0.043 0.000 0.676 355 A CB -1.034 17.984 19.000 0.030 0.000 0.818 355 A HN 0.884 nan 8.150 nan 0.000 0.453 356 D N -0.722 119.697 120.400 0.032 0.000 2.123 356 D HA -0.030 4.653 4.640 0.071 0.000 0.200 356 D C 0.444 176.765 176.300 0.036 0.000 0.976 356 D CA 1.074 55.089 54.000 0.025 0.000 0.831 356 D CB 0.075 40.882 40.800 0.012 0.000 0.974 356 D HN 0.119 nan 8.370 nan 0.000 0.469 357 K N 0.593 121.024 120.400 0.051 0.000 2.679 357 K HA 0.343 4.706 4.320 0.071 0.000 0.188 357 K C -2.574 174.136 176.600 0.182 0.000 1.055 357 K CA -2.023 54.313 56.287 0.081 0.000 1.006 357 K CB 2.018 34.538 32.500 0.033 0.000 1.317 357 K HN 0.088 nan 8.250 nan 0.000 0.584 358 P HA 0.095 nan 4.420 nan 0.000 0.277 358 P C -0.782 176.609 177.300 0.153 0.000 1.271 358 P CA -0.836 62.359 63.100 0.159 0.000 0.795 358 P CB 0.708 32.446 31.700 0.062 0.000 1.101 359 L N 0.714 121.877 121.223 -0.100 0.000 2.281 359 L HA 0.405 4.787 4.340 0.071 0.000 0.285 359 L C -0.611 176.225 176.870 -0.058 0.000 1.074 359 L CA 0.767 55.404 54.840 -0.339 0.000 0.817 359 L CB -0.189 41.363 42.059 -0.846 0.000 1.168 359 L HN 0.260 nan 8.230 nan 0.000 0.434 360 T N 6.927 121.509 114.554 0.046 0.000 2.841 360 T HA 0.728 5.120 4.350 0.071 0.000 0.285 360 T C -0.830 173.983 174.700 0.188 0.000 0.991 360 T CA -0.130 61.986 62.100 0.027 0.000 0.966 360 T CB 0.740 69.622 68.868 0.023 0.000 0.962 360 T HN 0.500 nan 8.240 nan 0.000 0.438 361 F N -0.503 119.490 119.950 0.072 0.000 2.831 361 F HA 0.701 5.270 4.527 0.070 0.000 0.318 361 F C -1.382 174.486 175.800 0.113 0.000 1.174 361 F CA -1.399 56.687 58.000 0.143 0.000 0.918 361 F CB 0.803 40.004 39.000 0.335 0.000 1.364 361 F HN 0.202 nan 8.300 nan 0.000 0.475 362 D N 1.666 122.268 120.400 0.337 0.000 2.225 362 D HA 0.436 5.118 4.640 0.071 0.000 0.249 362 D C -1.184 175.310 176.300 0.323 0.000 1.052 362 D CA -0.075 54.057 54.000 0.220 0.000 0.909 362 D CB 2.410 43.332 40.800 0.204 0.000 1.186 362 D HN 0.541 nan 8.370 nan 0.000 0.431 363 L N 3.126 124.493 121.223 0.239 0.000 2.353 363 L HA 0.314 4.697 4.340 0.071 0.000 0.270 363 L C -1.414 175.656 176.870 0.334 0.000 1.003 363 L CA -0.828 54.201 54.840 0.315 0.000 0.862 363 L CB 1.047 43.262 42.059 0.260 0.000 1.221 363 L HN 0.210 nan 8.230 nan 0.000 0.430 364 L N 6.469 127.890 121.223 0.330 0.000 2.326 364 L HA 0.624 5.006 4.340 0.071 0.000 0.278 364 L C -1.024 176.082 176.870 0.392 0.000 1.092 364 L CA 0.060 55.072 54.840 0.286 0.000 0.810 364 L CB 0.867 43.054 42.059 0.215 0.000 1.153 364 L HN 0.638 nan 8.230 nan 0.000 0.439 365 Y N 2.636 123.017 120.300 0.136 0.000 2.597 365 Y HA 0.561 5.153 4.550 0.070 0.000 0.340 365 Y C -0.953 174.712 175.900 -0.391 0.000 1.097 365 Y CA -1.569 56.470 58.100 -0.101 0.000 1.037 365 Y CB 0.755 39.223 38.460 0.015 0.000 1.305 365 Y HN 0.717 nan 8.280 nan 0.000 0.463 366 N N 0.853 119.050 118.700 -0.838 0.000 2.514 366 N HA 0.110 4.893 4.740 0.071 0.000 0.277 366 N C -0.641 174.831 175.510 -0.064 0.000 1.126 366 N CA -0.300 52.374 53.050 -0.627 0.000 0.978 366 N CB 1.243 39.345 38.487 -0.641 0.000 1.106 366 N HN 0.796 nan 8.380 nan 0.000 0.461 367 T N 1.293 115.800 114.554 -0.079 0.000 2.718 367 T HA 0.070 4.462 4.350 0.071 0.000 0.265 367 T C 0.330 175.115 174.700 0.141 0.000 1.014 367 T CA 0.590 62.721 62.100 0.052 0.000 1.172 367 T CB -0.427 68.448 68.868 0.011 0.000 1.007 367 T HN 0.734 nan 8.240 nan 0.000 0.500 368 S N 1.955 117.785 115.700 0.217 0.000 2.606 368 S HA 0.176 4.689 4.470 0.071 0.000 0.290 368 S C 0.182 174.811 174.600 0.049 0.000 1.103 368 S CA -0.858 57.395 58.200 0.087 0.000 0.870 368 S CB 1.169 64.380 63.200 0.018 0.000 1.077 368 S HN 0.526 nan 8.310 nan 0.000 0.448 369 D N 2.108 122.497 120.400 -0.019 0.000 2.097 369 D HA -0.070 4.612 4.640 0.071 0.000 0.197 369 D C 1.950 178.202 176.300 -0.080 0.000 0.984 369 D CA 1.400 55.382 54.000 -0.030 0.000 0.826 369 D CB -0.161 40.620 40.800 -0.030 0.000 0.973 369 D HN 0.432 nan 8.370 nan 0.000 0.460 370 L N 1.415 122.549 121.223 -0.148 0.000 1.989 370 L HA -0.194 4.188 4.340 0.071 0.000 0.211 370 L C 2.176 178.961 176.870 -0.142 0.000 1.071 370 L CA 1.928 56.655 54.840 -0.188 0.000 0.749 370 L CB -0.887 41.008 42.059 -0.273 0.000 0.890 370 L HN 0.072 nan 8.230 nan 0.000 0.431 371 H N -0.052 119.029 119.070 0.018 0.000 2.389 371 H HA -0.131 4.467 4.556 0.070 0.000 0.299 371 H C 2.192 177.309 175.328 -0.352 0.000 1.081 371 H CA 1.541 57.576 56.048 -0.023 0.000 1.345 371 H CB -0.312 29.507 29.762 0.096 0.000 1.393 371 H HN 0.461 nan 8.280 nan 0.000 0.520 372 K N 1.665 121.867 120.400 -0.329 0.000 2.026 372 K HA -0.143 4.220 4.320 0.071 0.000 0.208 372 K C 1.918 178.358 176.600 -0.267 0.000 1.048 372 K CA 1.280 57.245 56.287 -0.536 0.000 0.929 372 K CB 0.093 32.504 32.500 -0.148 0.000 0.713 372 K HN 0.183 nan 8.250 nan 0.000 0.439 373 K N 0.579 120.893 120.400 -0.144 0.000 2.097 373 K HA -0.109 4.254 4.320 0.071 0.000 0.206 373 K C 2.233 178.774 176.600 -0.098 0.000 1.049 373 K CA 1.347 57.573 56.287 -0.101 0.000 0.933 373 K CB -0.135 32.318 32.500 -0.079 0.000 0.717 373 K HN 0.182 nan 8.250 nan 0.000 0.442 374 L N 0.390 121.565 121.223 -0.079 0.000 2.093 374 L HA -0.136 4.247 4.340 0.071 0.000 0.208 374 L C 2.587 179.440 176.870 -0.029 0.000 1.085 374 L CA 0.956 55.772 54.840 -0.041 0.000 0.755 374 L CB -0.535 41.526 42.059 0.002 0.000 0.904 374 L HN 0.186 nan 8.230 nan 0.000 0.435 375 A N 0.268 123.047 122.820 -0.068 0.000 1.930 375 A HA -0.141 4.221 4.320 0.071 0.000 0.217 375 A C 2.213 179.718 177.584 -0.132 0.000 1.175 375 A CA 1.312 53.288 52.037 -0.101 0.000 0.627 375 A CB -0.571 18.304 19.000 -0.208 0.000 0.815 375 A HN 0.335 nan 8.150 nan 0.000 0.443 376 I N -0.280 120.214 120.570 -0.126 0.000 2.226 376 I HA -0.268 3.944 4.170 0.071 0.000 0.245 376 I C 2.957 179.018 176.117 -0.094 0.000 1.100 376 I CA 1.025 62.273 61.300 -0.088 0.000 1.374 376 I CB -0.287 37.671 38.000 -0.070 0.000 1.057 376 I HN 0.356 nan 8.210 nan 0.000 0.413 377 A N 0.285 123.042 122.820 -0.105 0.000 1.902 377 A HA -0.140 4.222 4.320 0.071 0.000 0.217 377 A C 2.422 179.904 177.584 -0.171 0.000 1.181 377 A CA 1.636 53.606 52.037 -0.111 0.000 0.623 377 A CB -0.918 18.022 19.000 -0.100 0.000 0.818 377 A HN 0.232 nan 8.150 nan 0.000 0.443 378 V N -0.162 119.600 119.914 -0.254 0.000 2.427 378 V HA -0.220 3.943 4.120 0.071 0.000 0.248 378 V C 3.045 178.872 176.094 -0.444 0.000 1.051 378 V CA 1.786 63.779 62.300 -0.512 0.000 1.048 378 V CB -1.153 30.213 31.823 -0.762 0.000 0.666 378 V HN 0.619 nan 8.190 nan 0.000 0.456 379 A N -0.618 122.069 122.820 -0.221 0.000 1.883 379 A HA -0.263 4.099 4.320 0.071 0.000 0.217 379 A C 2.575 180.153 177.584 -0.010 0.000 1.186 379 A CA 2.402 54.408 52.037 -0.051 0.000 0.624 379 A CB -0.868 18.106 19.000 -0.044 0.000 0.822 379 A HN 0.489 nan 8.150 nan 0.000 0.444 380 S N -0.579 115.092 115.700 -0.049 0.000 2.368 380 S HA -0.115 4.398 4.470 0.071 0.000 0.225 380 S C 1.916 176.512 174.600 -0.006 0.000 1.030 380 S CA 1.414 59.601 58.200 -0.022 0.000 0.999 380 S CB -0.525 62.654 63.200 -0.036 0.000 0.844 380 S HN 0.467 nan 8.310 nan 0.000 0.459 381 I N 0.026 120.562 120.570 -0.057 0.000 2.179 381 I HA -0.167 4.045 4.170 0.071 0.000 0.242 381 I C 2.158 178.330 176.117 0.091 0.000 1.088 381 I CA 1.104 62.382 61.300 -0.037 0.000 1.357 381 I CB -0.339 37.577 38.000 -0.141 0.000 1.051 381 I HN 0.423 nan 8.210 nan 0.000 0.409 382 W N 1.335 122.626 121.300 -0.014 0.000 2.402 382 W HA -0.155 4.548 4.660 0.071 0.000 0.286 382 W C 2.647 179.158 176.519 -0.012 0.000 1.221 382 W CA 0.964 58.306 57.345 -0.006 0.000 1.257 382 W CB -0.723 28.733 29.460 -0.006 0.000 1.120 382 W HN 0.091 nan 8.180 nan 0.000 0.551 383 K N 0.935 121.452 120.400 0.196 0.000 2.025 383 K HA -0.137 4.225 4.320 0.071 0.000 0.207 383 K C 1.927 178.575 176.600 0.080 0.000 1.049 383 K CA 1.696 58.041 56.287 0.098 0.000 0.933 383 K CB -0.390 32.141 32.500 0.053 0.000 0.714 383 K HN -0.109 nan 8.250 nan 0.000 0.438 384 K N -0.133 120.312 120.400 0.075 0.000 2.025 384 K HA -0.034 4.328 4.320 0.071 0.000 0.207 384 K C 1.748 178.391 176.600 0.073 0.000 1.049 384 K CA 1.564 57.886 56.287 0.059 0.000 0.933 384 K CB -0.121 32.406 32.500 0.044 0.000 0.714 384 K HN 0.136 nan 8.250 nan 0.000 0.438 385 N N 0.169 118.931 118.700 0.104 0.000 2.376 385 N HA -0.062 4.720 4.740 0.071 0.000 0.177 385 N C 1.172 176.749 175.510 0.112 0.000 1.024 385 N CA 0.740 53.858 53.050 0.113 0.000 0.893 385 N CB 0.285 38.862 38.487 0.149 0.000 0.980 385 N HN 0.044 nan 8.380 nan 0.000 0.439 386 L N -1.598 119.696 121.223 0.119 0.000 2.993 386 L HA 0.414 4.796 4.340 0.071 0.000 0.264 386 L C 0.752 177.645 176.870 0.038 0.000 1.154 386 L CA 0.554 55.435 54.840 0.069 0.000 0.972 386 L CB 0.135 42.223 42.059 0.049 0.000 1.373 386 L HN 0.179 nan 8.230 nan 0.000 0.564 387 G N 0.732 109.563 108.800 0.050 0.000 2.147 387 G HA2 -0.202 3.800 3.960 0.071 0.000 0.244 387 G HA3 -0.202 3.800 3.960 0.071 0.000 0.244 387 G C 0.187 175.091 174.900 0.007 0.000 1.005 387 G CA 0.446 45.565 45.100 0.031 0.000 0.713 387 G HN 0.850 nan 8.290 nan 0.000 0.515 388 V N -2.481 117.435 119.914 0.003 0.000 2.617 388 V HA 0.791 4.953 4.120 0.071 0.000 0.298 388 V C -0.020 176.042 176.094 -0.054 0.000 1.048 388 V CA -1.581 60.693 62.300 -0.043 0.000 0.964 388 V CB 1.834 33.621 31.823 -0.059 0.000 1.004 388 V HN 0.198 nan 8.190 nan 0.000 0.466 389 N N 2.749 121.378 118.700 -0.119 0.000 2.408 389 N HA 0.591 5.373 4.740 0.071 0.000 0.280 389 N C -1.067 174.248 175.510 -0.324 0.000 1.002 389 N CA -0.266 52.700 53.050 -0.140 0.000 0.907 389 N CB 2.051 40.491 38.487 -0.078 0.000 1.161 389 N HN 0.640 nan 8.380 nan 0.000 0.488 390 V N 2.515 122.261 119.914 -0.280 0.000 2.495 390 V HA 0.318 4.481 4.120 0.071 0.000 0.298 390 V C -0.228 175.766 176.094 -0.166 0.000 1.031 390 V CA -0.883 61.184 62.300 -0.389 0.000 0.871 390 V CB 1.613 33.279 31.823 -0.262 0.000 0.988 390 V HN 0.576 nan 8.190 nan 0.000 0.432 391 N N 4.128 122.754 118.700 -0.124 0.000 2.485 391 N HA 0.502 5.284 4.740 0.071 0.000 0.243 391 N C -0.917 174.626 175.510 0.056 0.000 0.987 391 N CA -0.585 52.458 53.050 -0.012 0.000 0.940 391 N CB 1.188 39.682 38.487 0.011 0.000 1.122 391 N HN 0.436 nan 8.380 nan 0.000 0.509 392 L N 2.254 123.531 121.223 0.090 0.000 2.416 392 L HA 0.211 4.593 4.340 0.071 0.000 0.272 392 L C 0.172 177.151 176.870 0.183 0.000 1.161 392 L CA 0.562 55.519 54.840 0.194 0.000 0.845 392 L CB 0.359 42.556 42.059 0.230 0.000 1.119 392 L HN 0.519 nan 8.230 nan 0.000 0.464 393 E N 2.979 123.287 120.200 0.180 0.000 2.274 393 E HA 0.289 4.681 4.350 0.071 0.000 0.269 393 E C -1.166 175.280 176.600 -0.256 0.000 0.891 393 E CA -0.786 55.627 56.400 0.022 0.000 0.784 393 E CB 1.548 31.278 29.700 0.050 0.000 1.225 393 E HN 0.571 nan 8.360 nan 0.000 0.412 394 N N 2.808 121.259 118.700 -0.414 0.000 2.456 394 N HA 0.291 5.073 4.740 0.071 0.000 0.296 394 N C -0.639 174.688 175.510 -0.305 0.000 1.102 394 N CA -0.534 52.066 53.050 -0.750 0.000 0.924 394 N CB 2.028 40.091 38.487 -0.706 0.000 1.186 394 N HN 0.441 nan 8.380 nan 0.000 0.492 395 Q N 0.080 119.732 119.800 -0.247 0.000 2.379 395 Q HA 0.243 4.626 4.340 0.071 0.000 0.278 395 Q C -0.911 175.079 176.000 -0.018 0.000 1.068 395 Q CA -0.775 54.992 55.803 -0.060 0.000 0.816 395 Q CB 2.708 31.477 28.738 0.050 0.000 1.387 395 Q HN 0.571 nan 8.270 nan 0.000 0.413 396 E N 1.208 121.433 120.200 0.040 0.000 2.404 396 E HA -0.120 4.272 4.350 0.071 0.000 0.261 396 E C 0.342 177.065 176.600 0.205 0.000 1.074 396 E CA -0.061 56.399 56.400 0.099 0.000 0.917 396 E CB 0.952 30.709 29.700 0.094 0.000 0.965 396 E HN 0.682 nan 8.360 nan 0.000 0.433 397 W N 2.550 123.865 121.300 0.025 0.000 2.290 397 W HA -0.359 4.344 4.660 0.071 0.000 0.328 397 W C 1.535 178.154 176.519 0.167 0.000 1.272 397 W CA 2.177 59.583 57.345 0.101 0.000 1.262 397 W CB -0.051 29.436 29.460 0.045 0.000 1.151 397 W HN 0.507 nan 8.180 nan 0.000 0.473 398 K N -0.086 120.395 120.400 0.135 0.000 2.063 398 K HA -0.163 4.200 4.320 0.071 0.000 0.208 398 K C 1.825 178.403 176.600 -0.036 0.000 1.048 398 K CA 2.563 58.837 56.287 -0.021 0.000 0.928 398 K CB -1.477 31.061 32.500 0.064 0.000 0.713 398 K HN 0.026 nan 8.250 nan 0.000 0.442 399 T N 1.090 115.665 114.554 0.035 0.000 2.746 399 T HA -0.102 4.291 4.350 0.071 0.000 0.267 399 T C 1.444 176.151 174.700 0.011 0.000 1.039 399 T CA 1.255 63.370 62.100 0.025 0.000 1.142 399 T CB -0.472 68.424 68.868 0.047 0.000 0.866 399 T HN 0.272 nan 8.240 nan 0.000 0.444 400 F N 2.044 121.914 119.950 -0.133 0.000 2.095 400 F HA -0.094 4.475 4.527 0.070 0.000 0.298 400 F C 1.873 177.503 175.800 -0.284 0.000 1.104 400 F CA 1.221 59.106 58.000 -0.191 0.000 1.232 400 F CB -0.611 38.300 39.000 -0.149 0.000 0.987 400 F HN 0.048 nan 8.300 nan 0.000 0.475 401 L N 0.084 121.032 121.223 -0.459 0.000 2.046 401 L HA -0.208 4.174 4.340 0.071 0.000 0.208 401 L C 2.236 178.950 176.870 -0.261 0.000 1.077 401 L CA 1.846 56.357 54.840 -0.548 0.000 0.747 401 L CB -0.920 40.843 42.059 -0.493 0.000 0.896 401 L HN 0.199 nan 8.230 nan 0.000 0.432 402 D N -0.542 119.774 120.400 -0.140 0.000 2.117 402 D HA -0.178 4.504 4.640 0.071 0.000 0.197 402 D C 2.006 178.277 176.300 -0.048 0.000 0.987 402 D CA 1.619 55.599 54.000 -0.034 0.000 0.829 402 D CB 0.157 40.941 40.800 -0.028 0.000 0.961 402 D HN 0.100 nan 8.370 nan 0.000 0.460 403 T N -0.292 114.189 114.554 -0.122 0.000 2.720 403 T HA -0.139 4.254 4.350 0.071 0.000 0.268 403 T C 2.002 176.614 174.700 -0.146 0.000 1.037 403 T CA 1.220 63.259 62.100 -0.101 0.000 1.144 403 T CB -0.183 68.616 68.868 -0.114 0.000 0.864 403 T HN 0.186 nan 8.240 nan 0.000 0.444 404 R N -0.087 120.140 120.500 -0.454 0.000 2.092 404 R HA -0.036 4.347 4.340 0.071 0.000 0.231 404 R C 2.495 178.723 176.300 -0.119 0.000 1.119 404 R CA 1.069 56.806 56.100 -0.604 0.000 0.970 404 R CB -0.301 29.398 30.300 -1.001 0.000 0.864 404 R HN 0.490 nan 8.270 nan 0.000 0.440 405 H N 0.797 119.819 119.070 -0.078 0.000 2.387 405 H HA -0.073 4.525 4.556 0.070 0.000 0.299 405 H C 1.985 177.399 175.328 0.143 0.000 1.090 405 H CA 1.320 57.382 56.048 0.023 0.000 1.332 405 H CB 0.154 29.882 29.762 -0.057 0.000 1.386 405 H HN 0.349 nan 8.280 nan 0.000 0.516 406 Q N -0.456 119.457 119.800 0.189 0.000 2.224 406 Q HA -0.027 4.355 4.340 0.071 0.000 0.203 406 Q C 1.236 177.280 176.000 0.073 0.000 0.970 406 Q CA 0.819 56.695 55.803 0.121 0.000 0.865 406 Q CB 0.336 29.116 28.738 0.070 0.000 0.922 406 Q HN 0.652 nan 8.270 nan 0.000 0.445 407 G N 1.292 110.170 108.800 0.130 0.000 2.132 407 G HA2 -0.246 3.756 3.960 0.071 0.000 0.234 407 G HA3 -0.246 3.756 3.960 0.071 0.000 0.234 407 G C 0.383 175.257 174.900 -0.043 0.000 0.989 407 G CA 0.509 45.528 45.100 -0.134 0.000 0.676 407 G HN 0.389 nan 8.290 nan 0.000 0.522 408 T N -0.798 113.843 114.554 0.146 0.000 3.591 408 T HA 0.609 5.001 4.350 0.071 0.000 0.232 408 T C 0.008 174.840 174.700 0.221 0.000 1.116 408 T CA 0.135 62.298 62.100 0.105 0.000 1.063 408 T CB -0.734 68.179 68.868 0.074 0.000 1.227 408 T HN 1.589 nan 8.240 nan 0.000 0.685 409 F N -1.933 117.980 119.950 -0.061 0.000 2.741 409 F HA 0.710 5.279 4.527 0.071 0.000 0.313 409 F C -0.853 174.900 175.800 -0.080 0.000 1.153 409 F CA -1.396 56.576 58.000 -0.047 0.000 0.931 409 F CB 0.642 39.605 39.000 -0.061 0.000 1.335 409 F HN -0.147 nan 8.300 nan 0.000 0.460 410 D N 0.522 120.886 120.400 -0.060 0.000 2.845 410 D HA 0.288 4.970 4.640 0.071 0.000 0.272 410 D C -0.329 175.618 176.300 -0.589 0.000 1.275 410 D CA 1.125 54.868 54.000 -0.428 0.000 1.029 410 D CB 0.604 41.331 40.800 -0.123 0.000 1.131 410 D HN 0.245 nan 8.370 nan 0.000 0.423 411 V N 0.464 120.330 119.914 -0.081 0.000 2.735 411 V HA 0.765 4.928 4.120 0.071 0.000 0.310 411 V C -0.739 175.584 176.094 0.382 0.000 1.061 411 V CA -0.892 61.462 62.300 0.091 0.000 0.913 411 V CB 1.849 33.707 31.823 0.058 0.000 1.005 411 V HN 0.315 nan 8.190 nan 0.000 0.428 412 A N 3.893 126.920 122.820 0.344 0.000 2.414 412 A HA 0.792 5.154 4.320 0.071 0.000 0.306 412 A C -0.394 177.313 177.584 0.205 0.000 1.054 412 A CA -0.766 51.391 52.037 0.201 0.000 0.724 412 A CB 1.688 20.518 19.000 -0.283 0.000 1.267 412 A HN 0.734 nan 8.150 nan 0.000 0.418 413 R N 1.353 122.010 120.500 0.262 0.000 2.590 413 R HA 0.557 4.939 4.340 0.071 0.000 0.274 413 R C -0.394 175.711 176.300 -0.326 0.000 1.061 413 R CA 1.029 57.063 56.100 -0.109 0.000 1.081 413 R CB 0.546 30.857 30.300 0.018 0.000 0.984 413 R HN 1.330 nan 8.270 nan 0.000 0.448 414 A N 1.703 124.041 122.820 -0.803 0.000 2.609 414 A HA 0.700 5.062 4.320 0.071 0.000 0.291 414 A C -1.081 175.992 177.584 -0.851 0.000 1.096 414 A CA -0.178 51.391 52.037 -0.780 0.000 0.684 414 A CB 1.926 20.254 19.000 -1.120 0.000 1.282 414 A HN 0.807 nan 8.150 nan 0.000 0.412 415 G N -0.318 108.310 108.800 -0.287 0.000 2.753 415 G HA2 0.543 4.545 3.960 0.071 0.000 0.295 415 G HA3 0.543 4.545 3.960 0.071 0.000 0.295 415 G C -1.491 173.606 174.900 0.329 0.000 1.437 415 G CA -0.190 44.960 45.100 0.083 0.000 1.094 415 G HN 0.903 nan 8.290 nan 0.000 0.540 416 W N 3.042 124.461 121.300 0.199 0.000 2.683 416 W HA 0.542 5.247 4.660 0.074 0.000 0.329 416 W C -1.109 175.254 176.519 -0.260 0.000 1.037 416 W CA -1.098 56.219 57.345 -0.046 0.000 1.232 416 W CB 2.057 31.439 29.460 -0.131 0.000 1.390 416 W HN 0.642 nan 8.180 nan 0.000 0.465 417 C N 5.463 124.213 119.300 -0.916 0.000 2.411 417 C HA 0.788 5.290 4.460 0.071 0.000 0.330 417 C C 0.684 175.122 174.990 -0.919 0.000 1.224 417 C CA -0.216 58.354 59.018 -0.746 0.000 1.770 417 C CB 0.232 27.591 27.740 -0.634 0.000 2.297 417 C HN 0.747 nan 8.230 nan 0.000 0.507 418 A N 4.381 126.923 122.820 -0.463 0.000 2.531 418 A HA 0.213 4.575 4.320 0.071 0.000 0.236 418 A C 0.823 178.243 177.584 -0.274 0.000 1.062 418 A CA 0.411 52.242 52.037 -0.342 0.000 0.760 418 A CB 0.236 19.195 19.000 -0.068 0.000 0.995 418 A HN 0.953 nan 8.150 nan 0.000 0.501 419 D N -0.725 119.561 120.400 -0.190 0.000 2.338 419 D HA 0.155 4.837 4.640 0.071 0.000 0.208 419 D C -0.299 176.137 176.300 0.227 0.000 0.997 419 D CA 1.484 55.527 54.000 0.072 0.000 0.880 419 D CB 0.179 41.103 40.800 0.207 0.000 0.980 419 D HN 0.682 nan 8.370 nan 0.000 0.509 420 Y N -1.491 118.836 120.300 0.044 0.000 2.544 420 Y HA 0.471 5.061 4.550 0.068 0.000 0.342 420 Y C -0.639 175.244 175.900 -0.029 0.000 1.062 420 Y CA -1.542 56.565 58.100 0.010 0.000 1.023 420 Y CB 0.441 38.898 38.460 -0.005 0.000 1.308 420 Y HN -0.402 nan 8.280 nan 0.000 0.457 421 N N 3.140 121.875 118.700 0.057 0.000 2.739 421 N HA 0.178 4.960 4.740 0.071 0.000 0.266 421 N C -1.111 174.353 175.510 -0.078 0.000 1.168 421 N CA 0.467 53.494 53.050 -0.038 0.000 1.055 421 N CB -0.235 38.262 38.487 0.018 0.000 1.393 421 N HN 0.777 nan 8.380 nan 0.000 0.514 422 E N 2.394 122.458 120.200 -0.227 0.000 2.400 422 E HA 0.204 4.596 4.350 0.071 0.000 0.285 422 E C -2.349 173.978 176.600 -0.456 0.000 1.005 422 E CA -1.411 54.808 56.400 -0.302 0.000 0.816 422 E CB 1.784 31.297 29.700 -0.311 0.000 1.220 422 E HN 0.073 nan 8.360 nan 0.000 0.426 423 P HA -0.167 nan 4.420 nan 0.000 0.217 423 P C 1.212 178.150 177.300 -0.604 0.000 1.148 423 P CA 2.250 64.958 63.100 -0.654 0.000 0.828 423 P CB 0.037 31.155 31.700 -0.970 0.000 0.783 424 T N -4.417 109.757 114.554 -0.632 0.000 2.977 424 T HA -0.108 4.284 4.350 0.071 0.000 0.271 424 T C 1.977 176.474 174.700 -0.339 0.000 1.105 424 T CA 1.316 63.210 62.100 -0.343 0.000 1.116 424 T CB -1.191 67.632 68.868 -0.074 0.000 0.878 424 T HN 0.006 nan 8.240 nan 0.000 0.509 425 S N -0.163 115.173 115.700 -0.607 0.000 2.400 425 S HA -0.010 4.503 4.470 0.071 0.000 0.232 425 S C 1.302 175.729 174.600 -0.288 0.000 1.025 425 S CA 0.796 58.569 58.200 -0.713 0.000 0.993 425 S CB -0.546 61.970 63.200 -1.140 0.000 0.808 425 S HN 0.579 nan 8.310 nan 0.000 0.478 426 F N 0.885 120.624 119.950 -0.353 0.000 2.208 426 F HA 0.315 4.882 4.527 0.068 0.000 0.282 426 F C 1.994 177.623 175.800 -0.285 0.000 1.071 426 F CA 0.558 58.309 58.000 -0.416 0.000 1.228 426 F CB -0.585 38.040 39.000 -0.624 0.000 1.088 426 F HN 0.080 nan 8.300 nan 0.000 0.512 427 L N 0.225 121.456 121.223 0.013 0.000 2.129 427 L HA -0.274 4.108 4.340 0.071 0.000 0.212 427 L C 1.912 178.854 176.870 0.121 0.000 1.087 427 L CA 1.053 55.994 54.840 0.169 0.000 0.757 427 L CB -0.721 41.384 42.059 0.078 0.000 0.896 427 L HN 0.184 nan 8.230 nan 0.000 0.434 428 N N -0.507 118.093 118.700 -0.166 0.000 2.364 428 N HA -0.140 4.642 4.740 0.071 0.000 0.183 428 N C 1.890 177.241 175.510 -0.265 0.000 1.022 428 N CA 1.744 54.596 53.050 -0.330 0.000 0.883 428 N CB -0.423 37.440 38.487 -1.040 0.000 0.965 428 N HN 0.469 nan 8.380 nan 0.000 0.438 429 T N -2.426 111.951 114.554 -0.295 0.000 3.113 429 T HA 0.052 4.445 4.350 0.071 0.000 0.263 429 T C 1.388 175.961 174.700 -0.211 0.000 1.143 429 T CA 0.564 62.488 62.100 -0.292 0.000 1.090 429 T CB 0.009 68.450 68.868 -0.711 0.000 0.922 429 T HN -0.039 nan 8.240 nan 0.000 0.521 430 M N 0.611 120.144 119.600 -0.110 0.000 2.371 430 M HA 0.435 4.957 4.480 0.071 0.000 0.246 430 M C 0.283 176.593 176.300 0.018 0.000 1.103 430 M CA -0.238 54.950 55.300 -0.186 0.000 1.010 430 M CB -0.483 31.782 32.600 -0.558 0.000 1.457 430 M HN 0.288 nan 8.290 nan 0.000 0.486 431 L N 1.074 122.401 121.223 0.174 0.000 2.485 431 L HA -0.011 4.372 4.340 0.071 0.000 0.275 431 L C 1.803 178.728 176.870 0.091 0.000 1.207 431 L CA -0.285 54.691 54.840 0.227 0.000 0.855 431 L CB 0.598 42.783 42.059 0.209 0.000 1.114 431 L HN 0.346 nan 8.230 nan 0.000 0.485 432 S N 0.815 116.551 115.700 0.059 0.000 2.380 432 S HA -0.241 4.272 4.470 0.071 0.000 0.229 432 S C 1.135 175.736 174.600 0.001 0.000 1.043 432 S CA 1.510 59.702 58.200 -0.012 0.000 1.038 432 S CB -0.343 62.838 63.200 -0.032 0.000 0.872 432 S HN 0.882 nan 8.310 nan 0.000 0.456 433 D N 0.963 121.379 120.400 0.028 0.000 2.340 433 D HA 0.183 4.866 4.640 0.071 0.000 0.217 433 D C 0.451 176.766 176.300 0.025 0.000 1.081 433 D CA 0.042 54.056 54.000 0.023 0.000 0.842 433 D CB -0.325 40.493 40.800 0.030 0.000 0.934 433 D HN 0.371 nan 8.370 nan 0.000 0.511 434 S N 0.407 116.131 115.700 0.040 0.000 2.549 434 S HA 0.104 4.616 4.470 0.071 0.000 0.283 434 S C 1.560 176.153 174.600 -0.012 0.000 1.320 434 S CA 0.107 58.340 58.200 0.056 0.000 1.058 434 S CB 0.820 64.079 63.200 0.099 0.000 0.882 434 S HN 0.290 nan 8.310 nan 0.000 0.498 435 S N 3.899 119.579 115.700 -0.034 0.000 2.474 435 S HA -0.087 4.425 4.470 0.071 0.000 0.235 435 S C 0.968 175.551 174.600 -0.028 0.000 0.997 435 S CA 1.158 59.327 58.200 -0.052 0.000 0.949 435 S CB -0.607 62.535 63.200 -0.095 0.000 0.766 435 S HN 0.856 nan 8.310 nan 0.000 0.517 436 N N 1.608 120.259 118.700 -0.081 0.000 2.336 436 N HA 0.145 4.927 4.740 0.071 0.000 0.189 436 N C 0.025 175.380 175.510 -0.258 0.000 1.113 436 N CA -0.061 52.892 53.050 -0.162 0.000 0.858 436 N CB -0.036 38.273 38.487 -0.297 0.000 0.970 436 N HN 0.242 nan 8.380 nan 0.000 0.471 437 N N 1.215 119.787 118.700 -0.213 0.000 2.605 437 N HA 0.007 4.790 4.740 0.071 0.000 0.258 437 N C 0.395 175.633 175.510 -0.452 0.000 1.156 437 N CA 0.193 53.070 53.050 -0.289 0.000 1.008 437 N CB 0.259 38.628 38.487 -0.197 0.000 1.354 437 N HN 0.202 nan 8.380 nan 0.000 0.509 438 T N -1.286 112.993 114.554 -0.459 0.000 3.100 438 T HA 0.136 4.529 4.350 0.071 0.000 0.253 438 T C 1.540 176.105 174.700 -0.225 0.000 1.118 438 T CA 0.336 62.134 62.100 -0.504 0.000 1.058 438 T CB 0.215 68.770 68.868 -0.522 0.000 0.953 438 T HN 0.285 nan 8.240 nan 0.000 0.515 439 A N 1.010 123.713 122.820 -0.195 0.000 2.119 439 A HA 0.165 4.527 4.320 0.071 0.000 0.216 439 A C 0.800 178.427 177.584 0.071 0.000 1.152 439 A CA 0.493 52.525 52.037 -0.008 0.000 0.708 439 A CB -0.836 18.089 19.000 -0.124 0.000 0.805 439 A HN 0.695 nan 8.150 nan 0.000 0.460 440 H N -3.609 115.453 119.070 -0.013 0.000 2.770 440 H HA -0.229 4.370 4.556 0.071 0.000 0.309 440 H C -0.345 174.984 175.328 0.002 0.000 1.206 440 H CA 1.011 57.047 56.048 -0.019 0.000 1.147 440 H CB -2.362 27.371 29.762 -0.047 0.000 1.422 440 H HN 0.672 nan 8.280 nan 0.000 0.420 441 Y N 1.471 121.705 120.300 -0.110 0.000 2.327 441 Y HA 0.408 5.001 4.550 0.071 0.000 0.336 441 Y C -0.197 175.631 175.900 -0.120 0.000 1.035 441 Y CA -0.791 57.226 58.100 -0.138 0.000 1.165 441 Y CB 0.780 39.094 38.460 -0.243 0.000 1.181 441 Y HN 0.089 nan 8.280 nan 0.000 0.494 442 K N 5.125 125.204 120.400 -0.535 0.000 2.616 442 K HA 0.321 4.684 4.320 0.071 0.000 0.241 442 K C -1.245 175.022 176.600 -0.554 0.000 0.961 442 K CA -0.559 55.471 56.287 -0.427 0.000 0.942 442 K CB 1.511 33.898 32.500 -0.189 0.000 1.153 442 K HN 0.540 nan 8.250 nan 0.000 0.452 443 S N 3.543 118.896 115.700 -0.579 0.000 2.707 443 S HA 0.366 4.878 4.470 0.071 0.000 0.312 443 S C -2.131 172.439 174.600 -0.050 0.000 1.116 443 S CA -1.819 56.183 58.200 -0.332 0.000 1.078 443 S CB 1.048 64.027 63.200 -0.367 0.000 0.997 443 S HN 0.218 nan 8.310 nan 0.000 0.477 444 P HA -0.028 nan 4.420 nan 0.000 0.215 444 P C 1.443 178.774 177.300 0.052 0.000 1.153 444 P CA 1.434 64.544 63.100 0.016 0.000 0.853 444 P CB 0.075 31.776 31.700 0.001 0.000 0.788 445 A N -0.976 121.882 122.820 0.064 0.000 1.877 445 A HA -0.202 4.160 4.320 0.071 0.000 0.216 445 A C 2.164 179.819 177.584 0.119 0.000 1.186 445 A CA 1.471 53.557 52.037 0.081 0.000 0.620 445 A CB -1.850 17.203 19.000 0.089 0.000 0.822 445 A HN 0.163 nan 8.150 nan 0.000 0.443 446 F N 1.277 121.257 119.950 0.048 0.000 2.102 446 F HA -0.204 4.364 4.527 0.070 0.000 0.298 446 F C 1.810 177.654 175.800 0.073 0.000 1.105 446 F CA 2.187 60.244 58.000 0.094 0.000 1.239 446 F CB -0.207 38.906 39.000 0.188 0.000 0.991 446 F HN 0.239 nan 8.300 nan 0.000 0.474 447 D N 0.432 120.961 120.400 0.215 0.000 2.123 447 D HA -0.216 4.467 4.640 0.071 0.000 0.196 447 D C 2.109 178.411 176.300 0.005 0.000 0.992 447 D CA 1.478 55.545 54.000 0.112 0.000 0.833 447 D CB -0.420 40.450 40.800 0.117 0.000 0.954 447 D HN 0.173 nan 8.370 nan 0.000 0.455 448 K N 0.856 121.259 120.400 0.005 0.000 2.026 448 K HA -0.052 4.310 4.320 0.071 0.000 0.208 448 K C 2.143 178.714 176.600 -0.047 0.000 1.048 448 K CA 0.838 57.120 56.287 -0.009 0.000 0.929 448 K CB -0.657 31.846 32.500 0.003 0.000 0.713 448 K HN 0.132 nan 8.250 nan 0.000 0.439 449 L N 0.348 121.516 121.223 -0.093 0.000 2.042 449 L HA -0.200 4.183 4.340 0.071 0.000 0.210 449 L C 2.225 179.018 176.870 -0.128 0.000 1.076 449 L CA 0.899 55.667 54.840 -0.120 0.000 0.749 449 L CB -0.482 41.481 42.059 -0.160 0.000 0.893 449 L HN 0.189 nan 8.230 nan 0.000 0.432 450 I N -0.045 120.411 120.570 -0.188 0.000 2.315 450 I HA -0.195 4.018 4.170 0.071 0.000 0.248 450 I C 2.822 178.950 176.117 0.019 0.000 1.117 450 I CA 1.449 62.701 61.300 -0.080 0.000 1.404 450 I CB -1.581 36.334 38.000 -0.142 0.000 1.071 450 I HN 0.173 nan 8.210 nan 0.000 0.419 451 A N 0.751 123.579 122.820 0.012 0.000 1.940 451 A HA -0.217 4.145 4.320 0.071 0.000 0.219 451 A C 1.919 179.506 177.584 0.005 0.000 1.176 451 A CA 1.924 53.983 52.037 0.037 0.000 0.631 451 A CB -0.601 18.420 19.000 0.035 0.000 0.814 451 A HN 0.344 nan 8.150 nan 0.000 0.446 452 D N -0.421 119.969 120.400 -0.017 0.000 2.219 452 D HA -0.103 4.580 4.640 0.071 0.000 0.205 452 D C 2.243 178.517 176.300 -0.043 0.000 0.970 452 D CA 1.766 55.747 54.000 -0.032 0.000 0.851 452 D CB -0.591 40.184 40.800 -0.042 0.000 0.943 452 D HN 0.653 nan 8.370 nan 0.000 0.488 453 T N -1.457 113.072 114.554 -0.041 0.000 2.881 453 T HA -0.089 4.303 4.350 0.071 0.000 0.270 453 T C 1.814 176.510 174.700 -0.006 0.000 1.068 453 T CA 0.651 62.711 62.100 -0.067 0.000 1.131 453 T CB -0.234 68.608 68.868 -0.043 0.000 0.871 453 T HN 0.165 nan 8.240 nan 0.000 0.479 454 L N -0.719 120.507 121.223 0.006 0.000 2.640 454 L HA 0.367 4.750 4.340 0.071 0.000 0.230 454 L C 2.122 178.969 176.870 -0.039 0.000 1.123 454 L CA 0.178 55.008 54.840 -0.018 0.000 0.900 454 L CB 0.068 42.068 42.059 -0.098 0.000 1.146 454 L HN 0.194 nan 8.230 nan 0.000 0.484 455 K N -0.219 120.162 120.400 -0.032 0.000 2.361 455 K HA 0.078 4.441 4.320 0.071 0.000 0.194 455 K C 0.387 176.977 176.600 -0.017 0.000 1.032 455 K CA 0.073 56.345 56.287 -0.026 0.000 1.048 455 K CB 0.741 33.226 32.500 -0.025 0.000 0.842 455 K HN 0.134 nan 8.250 nan 0.000 0.526 456 V N -2.352 117.549 119.914 -0.021 0.000 2.713 456 V HA 0.678 4.840 4.120 0.071 0.000 0.307 456 V C 0.039 176.132 176.094 -0.002 0.000 1.052 456 V CA -0.858 61.431 62.300 -0.018 0.000 0.967 456 V CB 1.607 33.407 31.823 -0.038 0.000 1.019 456 V HN -0.051 nan 8.190 nan 0.000 0.459 457 A N 2.170 124.996 122.820 0.010 0.000 2.793 457 A HA 0.580 4.943 4.320 0.071 0.000 0.301 457 A C -0.053 177.548 177.584 0.027 0.000 1.172 457 A CA 0.012 52.068 52.037 0.031 0.000 0.973 457 A CB -0.818 18.215 19.000 0.055 0.000 1.164 457 A HN 0.993 nan 8.150 nan 0.000 0.542 458 D N -1.090 119.315 120.400 0.008 0.000 2.896 458 D HA 0.253 4.936 4.640 0.071 0.000 0.241 458 D C -0.070 176.224 176.300 -0.010 0.000 1.188 458 D CA -0.344 53.660 54.000 0.005 0.000 0.879 458 D CB 1.454 42.253 40.800 -0.002 0.000 1.553 458 D HN -0.014 nan 8.370 nan 0.000 0.515 459 D N 1.543 121.947 120.400 0.007 0.000 2.178 459 D HA -0.088 4.595 4.640 0.071 0.000 0.202 459 D C 1.231 177.517 176.300 -0.022 0.000 0.974 459 D CA 1.126 55.130 54.000 0.006 0.000 0.841 459 D CB 0.431 41.255 40.800 0.040 0.000 0.953 459 D HN 0.482 nan 8.370 nan 0.000 0.478 460 T N 0.790 115.334 114.554 -0.017 0.000 2.821 460 T HA -0.114 4.278 4.350 0.071 0.000 0.267 460 T C 1.995 176.661 174.700 -0.056 0.000 1.046 460 T CA 0.857 62.942 62.100 -0.025 0.000 1.139 460 T CB -0.056 68.806 68.868 -0.010 0.000 0.871 460 T HN 0.226 nan 8.240 nan 0.000 0.454 461 Q N 0.452 120.213 119.800 -0.064 0.000 2.079 461 Q HA 0.020 4.403 4.340 0.071 0.000 0.200 461 Q C 2.568 178.468 176.000 -0.167 0.000 0.974 461 Q CA 0.908 56.659 55.803 -0.087 0.000 0.840 461 Q CB -0.110 28.588 28.738 -0.065 0.000 0.898 461 Q HN 0.372 nan 8.270 nan 0.000 0.430 462 R N 0.171 120.543 120.500 -0.212 0.000 2.083 462 R HA -0.131 4.251 4.340 0.071 0.000 0.237 462 R C 2.391 178.274 176.300 -0.695 0.000 1.137 462 R CA 1.710 57.540 56.100 -0.450 0.000 0.951 462 R CB -0.084 30.025 30.300 -0.319 0.000 0.851 462 R HN 0.093 nan 8.270 nan 0.000 0.434 463 S N 0.426 115.929 115.700 -0.330 0.000 2.382 463 S HA -0.144 4.369 4.470 0.071 0.000 0.228 463 S C 1.566 176.110 174.600 -0.093 0.000 1.027 463 S CA 1.378 59.502 58.200 -0.128 0.000 0.991 463 S CB -0.119 63.079 63.200 -0.003 0.000 0.823 463 S HN 0.426 nan 8.310 nan 0.000 0.469 464 E N 0.711 120.845 120.200 -0.110 0.000 2.106 464 E HA -0.044 4.349 4.350 0.071 0.000 0.192 464 E C 1.963 178.518 176.600 -0.075 0.000 0.984 464 E CA 0.708 57.070 56.400 -0.064 0.000 0.806 464 E CB -0.203 29.465 29.700 -0.053 0.000 0.750 464 E HN 0.418 nan 8.360 nan 0.000 0.458 465 L N 0.042 121.169 121.223 -0.161 0.000 2.093 465 L HA -0.175 4.207 4.340 0.071 0.000 0.208 465 L C 2.218 179.051 176.870 -0.062 0.000 1.085 465 L CA 0.850 55.602 54.840 -0.146 0.000 0.755 465 L CB -0.323 41.605 42.059 -0.219 0.000 0.904 465 L HN 0.161 nan 8.230 nan 0.000 0.435 466 Y N -0.144 120.126 120.300 -0.050 0.000 2.224 466 Y HA -0.171 4.422 4.550 0.071 0.000 0.289 466 Y C 2.622 178.501 175.900 -0.034 0.000 1.146 466 Y CA 0.552 58.618 58.100 -0.058 0.000 1.182 466 Y CB -1.214 37.208 38.460 -0.064 0.000 0.983 466 Y HN 0.118 nan 8.280 nan 0.000 0.524 467 A N 0.329 123.223 122.820 0.123 0.000 1.902 467 A HA -0.151 4.211 4.320 0.071 0.000 0.217 467 A C 2.289 179.916 177.584 0.072 0.000 1.181 467 A CA 1.498 53.582 52.037 0.079 0.000 0.623 467 A CB -0.348 18.681 19.000 0.048 0.000 0.818 467 A HN 0.162 nan 8.150 nan 0.000 0.443 468 K N 0.090 120.519 120.400 0.049 0.000 2.097 468 K HA -0.017 4.346 4.320 0.071 0.000 0.206 468 K C 2.222 178.866 176.600 0.072 0.000 1.049 468 K CA 1.317 57.632 56.287 0.047 0.000 0.933 468 K CB -0.916 31.594 32.500 0.016 0.000 0.717 468 K HN 0.449 nan 8.250 nan 0.000 0.442 469 A N 1.897 124.748 122.820 0.051 0.000 1.902 469 A HA -0.170 4.192 4.320 0.071 0.000 0.217 469 A C 2.084 179.832 177.584 0.273 0.000 1.181 469 A CA 1.397 53.461 52.037 0.045 0.000 0.623 469 A CB -0.232 18.667 19.000 -0.168 0.000 0.818 469 A HN 0.214 nan 8.150 nan 0.000 0.443 470 E N -0.098 120.222 120.200 0.201 0.000 2.106 470 E HA -0.195 4.197 4.350 0.071 0.000 0.192 470 E C 2.194 178.893 176.600 0.165 0.000 0.984 470 E CA 1.284 57.796 56.400 0.186 0.000 0.806 470 E CB -0.346 29.425 29.700 0.118 0.000 0.750 470 E HN 0.780 nan 8.360 nan 0.000 0.458 471 Q N 0.232 120.119 119.800 0.144 0.000 2.124 471 Q HA -0.210 4.172 4.340 0.071 0.000 0.202 471 Q C 2.197 178.287 176.000 0.150 0.000 0.977 471 Q CA 1.397 57.279 55.803 0.132 0.000 0.850 471 Q CB -0.080 28.718 28.738 0.100 0.000 0.901 471 Q HN 0.091 nan 8.270 nan 0.000 0.429 472 Q N 0.858 120.771 119.800 0.188 0.000 2.050 472 Q HA -0.174 4.208 4.340 0.071 0.000 0.202 472 Q C 1.833 177.962 176.000 0.214 0.000 0.980 472 Q CA 1.214 57.154 55.803 0.228 0.000 0.840 472 Q CB -0.337 28.593 28.738 0.320 0.000 0.898 472 Q HN 0.312 nan 8.270 nan 0.000 0.424 473 L N 0.636 121.974 121.223 0.192 0.000 2.042 473 L HA -0.159 4.223 4.340 0.071 0.000 0.210 473 L C 1.813 178.637 176.870 -0.077 0.000 1.076 473 L CA 2.439 57.222 54.840 -0.095 0.000 0.749 473 L CB -0.807 41.153 42.059 -0.166 0.000 0.893 473 L HN 0.388 nan 8.230 nan 0.000 0.432 474 D N -0.631 119.798 120.400 0.048 0.000 2.117 474 D HA -0.245 4.438 4.640 0.071 0.000 0.198 474 D C 2.201 178.557 176.300 0.094 0.000 0.982 474 D CA 1.630 55.694 54.000 0.106 0.000 0.828 474 D CB -0.056 40.876 40.800 0.220 0.000 0.967 474 D HN 0.511 nan 8.370 nan 0.000 0.464 475 K N -0.242 120.222 120.400 0.106 0.000 2.148 475 K HA -0.106 4.257 4.320 0.071 0.000 0.204 475 K C 1.065 177.705 176.600 0.066 0.000 1.050 475 K CA 1.531 57.874 56.287 0.094 0.000 0.942 475 K CB -0.028 32.535 32.500 0.105 0.000 0.724 475 K HN -0.008 nan 8.250 nan 0.000 0.446 476 D N 0.716 121.158 120.400 0.071 0.000 2.355 476 D HA 0.023 4.705 4.640 0.071 0.000 0.218 476 D C -0.271 176.033 176.300 0.007 0.000 1.004 476 D CA 0.424 54.470 54.000 0.077 0.000 0.880 476 D CB 0.262 41.187 40.800 0.208 0.000 0.911 476 D HN 0.155 nan 8.370 nan 0.000 0.528 477 S N -0.045 115.628 115.700 -0.044 0.000 3.550 477 S HA -0.252 4.260 4.470 0.071 0.000 0.372 477 S C 1.418 175.943 174.600 -0.124 0.000 0.966 477 S CA 0.279 58.428 58.200 -0.086 0.000 1.229 477 S CB -1.138 62.010 63.200 -0.086 0.000 0.917 477 S HN 0.514 nan 8.310 nan 0.000 0.496 478 A N 0.368 123.031 122.820 -0.261 0.000 1.933 478 A HA 0.234 4.596 4.320 0.071 0.000 0.218 478 A C 1.002 178.423 177.584 -0.271 0.000 1.175 478 A CA 1.534 53.324 52.037 -0.411 0.000 0.628 478 A CB -0.418 17.942 19.000 -1.068 0.000 0.814 478 A HN 1.093 nan 8.150 nan 0.000 0.444 479 I N -5.630 114.804 120.570 -0.226 0.000 3.239 479 I HA 0.660 4.872 4.170 0.071 0.000 0.314 479 I C -1.131 175.009 176.117 0.039 0.000 1.126 479 I CA -1.297 59.961 61.300 -0.070 0.000 0.973 479 I CB 2.316 40.224 38.000 -0.154 0.000 1.252 479 I HN -0.249 nan 8.210 nan 0.000 0.463 480 V N 2.536 122.567 119.914 0.195 0.000 2.266 480 V HA 0.393 4.555 4.120 0.071 0.000 0.271 480 V C -2.392 173.878 176.094 0.293 0.000 1.032 480 V CA -1.536 60.916 62.300 0.253 0.000 0.806 480 V CB 0.535 32.604 31.823 0.409 0.000 1.052 480 V HN 0.587 nan 8.190 nan 0.000 0.449 481 P HA 0.165 nan 4.420 nan 0.000 0.268 481 P C 0.499 177.912 177.300 0.187 0.000 1.204 481 P CA 0.371 63.577 63.100 0.177 0.000 0.768 481 P CB 1.528 33.292 31.700 0.106 0.000 0.842 482 V N 2.650 122.624 119.914 0.101 0.000 2.840 482 V HA 0.200 4.363 4.120 0.071 0.000 0.234 482 V C -0.009 176.111 176.094 0.043 0.000 1.159 482 V CA 1.078 63.436 62.300 0.097 0.000 1.194 482 V CB -0.580 31.278 31.823 0.059 0.000 0.971 482 V HN 0.593 nan 8.190 nan 0.000 0.494 483 Y N -2.428 117.796 120.300 -0.126 0.000 2.656 483 Y HA 0.720 5.311 4.550 0.069 0.000 0.334 483 Y C -1.758 173.991 175.900 -0.251 0.000 1.179 483 Y CA -2.452 55.489 58.100 -0.266 0.000 1.050 483 Y CB 0.564 38.916 38.460 -0.180 0.000 1.308 483 Y HN 0.060 nan 8.280 nan 0.000 0.456 484 Y N 1.759 122.287 120.300 0.381 0.000 2.350 484 Y HA 0.427 5.019 4.550 0.071 0.000 0.340 484 Y C -0.352 175.873 175.900 0.540 0.000 1.006 484 Y CA -1.044 57.281 58.100 0.374 0.000 1.166 484 Y CB 0.085 38.751 38.460 0.343 0.000 1.168 484 Y HN 0.541 nan 8.280 nan 0.000 0.502 485 Y N 1.784 122.396 120.300 0.519 0.000 2.459 485 Y HA 0.312 4.904 4.550 0.071 0.000 0.349 485 Y C 0.594 176.727 175.900 0.388 0.000 1.266 485 Y CA -0.688 57.705 58.100 0.488 0.000 1.483 485 Y CB 0.359 39.057 38.460 0.396 0.000 1.362 485 Y HN 0.392 nan 8.280 nan 0.000 0.628 486 V N -0.205 119.994 119.914 0.476 0.000 2.715 486 V HA 0.493 4.656 4.120 0.071 0.000 0.310 486 V C -0.484 175.791 176.094 0.301 0.000 1.054 486 V CA -1.332 61.147 62.300 0.297 0.000 0.928 486 V CB 1.937 33.821 31.823 0.101 0.000 1.007 486 V HN 0.732 nan 8.190 nan 0.000 0.437 487 N N 2.771 121.525 118.700 0.091 0.000 2.602 487 N HA 0.525 5.307 4.740 0.071 0.000 0.238 487 N C -0.275 175.158 175.510 -0.128 0.000 1.084 487 N CA 0.216 53.113 53.050 -0.255 0.000 0.952 487 N CB 0.561 38.676 38.487 -0.621 0.000 1.244 487 N HN 1.166 nan 8.380 nan 0.000 0.512 488 A N 3.846 126.613 122.820 -0.089 0.000 2.288 488 A HA 0.824 5.186 4.320 0.071 0.000 0.320 488 A C -0.167 177.356 177.584 -0.100 0.000 1.217 488 A CA -0.647 51.352 52.037 -0.063 0.000 0.840 488 A CB 0.608 19.546 19.000 -0.103 0.000 1.179 488 A HN 0.809 nan 8.150 nan 0.000 0.504 489 R N 1.299 121.748 120.500 -0.085 0.000 2.712 489 R HA 0.677 5.059 4.340 0.071 0.000 0.272 489 R C -1.913 174.270 176.300 -0.196 0.000 1.032 489 R CA -0.937 55.066 56.100 -0.162 0.000 0.874 489 R CB 0.828 30.988 30.300 -0.234 0.000 1.256 489 R HN 0.406 nan 8.270 nan 0.000 0.468 490 L N 1.397 122.410 121.223 -0.349 0.000 2.309 490 L HA 0.708 5.091 4.340 0.071 0.000 0.282 490 L C -0.709 175.918 176.870 -0.404 0.000 1.036 490 L CA -1.311 53.216 54.840 -0.522 0.000 0.806 490 L CB 1.908 43.283 42.059 -1.141 0.000 1.220 490 L HN 0.347 nan 8.230 nan 0.000 0.429 491 V N 3.081 122.878 119.914 -0.194 0.000 2.525 491 V HA 0.312 4.474 4.120 0.071 0.000 0.299 491 V C 0.002 176.022 176.094 -0.124 0.000 1.034 491 V CA -1.135 61.090 62.300 -0.125 0.000 0.863 491 V CB 1.766 33.484 31.823 -0.175 0.000 0.999 491 V HN 0.600 nan 8.190 nan 0.000 0.423 492 K N 5.063 125.293 120.400 -0.284 0.000 2.469 492 K HA 0.134 4.496 4.320 0.071 0.000 0.274 492 K C -1.580 174.560 176.600 -0.766 0.000 0.983 492 K CA -1.413 54.362 56.287 -0.852 0.000 0.974 492 K CB 0.851 32.264 32.500 -1.811 0.000 0.913 492 K HN 0.294 nan 8.250 nan 0.000 0.493 493 P HA -0.135 nan 4.420 nan 0.000 0.219 493 P C 0.794 177.983 177.300 -0.185 0.000 1.146 493 P CA 1.303 64.217 63.100 -0.311 0.000 0.808 493 P CB -0.097 31.514 31.700 -0.148 0.000 0.779 494 W N -1.503 119.696 121.300 -0.169 0.000 3.047 494 W HA 0.262 4.965 4.660 0.071 0.000 0.250 494 W C -0.337 176.102 176.519 -0.134 0.000 1.314 494 W CA -0.170 57.080 57.345 -0.159 0.000 1.540 494 W CB -1.363 27.877 29.460 -0.368 0.000 1.127 494 W HN -0.379 nan 8.180 nan 0.000 0.679 495 V N 3.123 122.921 119.914 -0.194 0.000 2.389 495 V HA 0.568 4.731 4.120 0.071 0.000 0.264 495 V C 0.915 176.861 176.094 -0.246 0.000 1.049 495 V CA -0.229 61.969 62.300 -0.170 0.000 0.932 495 V CB -0.050 31.643 31.823 -0.217 0.000 1.011 495 V HN 0.199 nan 8.190 nan 0.000 0.475 496 G N 2.644 111.138 108.800 -0.511 0.000 2.434 496 G HA2 0.568 4.570 3.960 0.071 0.000 0.330 496 G HA3 0.568 4.570 3.960 0.071 0.000 0.330 496 G C 0.814 175.192 174.900 -0.870 0.000 1.155 496 G CA 0.096 44.643 45.100 -0.922 0.000 0.917 496 G HN 1.426 nan 8.290 nan 0.000 0.493 497 G N -1.092 107.468 108.800 -0.400 0.000 2.194 497 G HA2 -0.259 3.743 3.960 0.071 0.000 0.236 497 G HA3 -0.259 3.743 3.960 0.071 0.000 0.236 497 G C 0.191 175.118 174.900 0.045 0.000 0.987 497 G CA 0.612 45.676 45.100 -0.060 0.000 0.635 497 G HN 1.234 nan 8.290 nan 0.000 0.520 498 Y N 3.153 123.387 120.300 -0.111 0.000 2.594 498 Y HA 0.480 5.089 4.550 0.098 0.000 0.342 498 Y C 1.779 177.643 175.900 -0.059 0.000 1.010 498 Y CA 0.476 58.530 58.100 -0.077 0.000 1.270 498 Y CB 0.778 39.175 38.460 -0.105 0.000 1.125 498 Y HN 0.277 nan 8.280 nan 0.000 0.513 499 T N 0.737 115.076 114.554 -0.359 0.000 2.809 499 T HA 0.109 4.501 4.350 0.071 0.000 0.260 499 T C 1.644 176.035 174.700 -0.514 0.000 1.039 499 T CA 1.004 62.914 62.100 -0.317 0.000 1.141 499 T CB -0.641 68.128 68.868 -0.164 0.000 0.869 499 T HN 1.307 nan 8.240 nan 0.000 0.437 500 G N 1.104 109.433 108.800 -0.785 0.000 2.141 500 G HA2 -0.223 3.779 3.960 0.071 0.000 0.242 500 G HA3 -0.223 3.779 3.960 0.071 0.000 0.242 500 G C 0.872 175.596 174.900 -0.294 0.000 0.982 500 G CA 0.413 45.118 45.100 -0.659 0.000 0.662 500 G HN 0.508 nan 8.290 nan 0.000 0.527 501 K N 0.088 120.351 120.400 -0.229 0.000 2.365 501 K HA 0.028 4.391 4.320 0.071 0.000 0.197 501 K C 0.587 177.129 176.600 -0.097 0.000 1.042 501 K CA 0.391 56.602 56.287 -0.127 0.000 0.987 501 K CB 0.120 32.561 32.500 -0.099 0.000 0.779 501 K HN 0.460 nan 8.250 nan 0.000 0.484 502 D N 1.864 122.202 120.400 -0.104 0.000 2.325 502 D HA 0.040 4.722 4.640 0.071 0.000 0.251 502 D C -1.700 174.604 176.300 0.006 0.000 1.196 502 D CA -2.237 51.734 54.000 -0.047 0.000 0.866 502 D CB 1.443 42.231 40.800 -0.021 0.000 1.101 502 D HN -0.079 nan 8.370 nan 0.000 0.476 503 P HA -0.038 nan 4.420 nan 0.000 0.233 503 P C 1.105 178.534 177.300 0.214 0.000 1.167 503 P CA 0.547 63.731 63.100 0.141 0.000 0.770 503 P CB 0.382 32.169 31.700 0.144 0.000 0.837 504 L N -1.220 120.089 121.223 0.143 0.000 2.585 504 L HA 0.167 4.549 4.340 0.071 0.000 0.226 504 L C 0.472 177.444 176.870 0.169 0.000 1.113 504 L CA 0.161 55.087 54.840 0.142 0.000 0.876 504 L CB -0.921 41.181 42.059 0.073 0.000 1.072 504 L HN -0.004 nan 8.230 nan 0.000 0.468 505 D N 1.653 122.120 120.400 0.111 0.000 2.689 505 D HA -0.205 4.477 4.640 0.071 0.000 0.237 505 D C 0.048 176.369 176.300 0.036 0.000 1.148 505 D CA 0.320 54.347 54.000 0.046 0.000 0.656 505 D CB -0.826 39.932 40.800 -0.069 0.000 1.050 505 D HN 0.134 nan 8.370 nan 0.000 0.426 506 N N 1.075 119.800 118.700 0.042 0.000 2.968 506 N HA 0.191 4.974 4.740 0.071 0.000 0.271 506 N C 0.186 175.674 175.510 -0.038 0.000 1.174 506 N CA -0.064 52.971 53.050 -0.024 0.000 1.096 506 N CB 0.049 38.565 38.487 0.048 0.000 1.403 506 N HN 0.477 nan 8.380 nan 0.000 0.522 507 I N 1.591 122.120 120.570 -0.069 0.000 2.529 507 I HA 0.081 4.294 4.170 0.071 0.000 0.284 507 I C -0.297 175.711 176.117 -0.181 0.000 1.082 507 I CA -0.186 61.118 61.300 0.008 0.000 1.406 507 I CB 0.317 38.340 38.000 0.038 0.000 1.405 507 I HN 0.173 nan 8.210 nan 0.000 0.548 508 Y N 4.129 124.472 120.300 0.072 0.000 2.331 508 Y HA 0.243 4.831 4.550 0.064 0.000 0.334 508 Y C 0.788 176.735 175.900 0.079 0.000 0.960 508 Y CA -0.748 57.394 58.100 0.071 0.000 1.130 508 Y CB 1.570 40.077 38.460 0.078 0.000 1.164 508 Y HN 0.264 nan 8.280 nan 0.000 0.458 509 V N 3.084 123.099 119.914 0.169 0.000 2.720 509 V HA -0.290 3.872 4.120 0.071 0.000 0.256 509 V C 2.065 178.311 176.094 0.253 0.000 1.082 509 V CA 2.147 64.505 62.300 0.097 0.000 1.101 509 V CB -0.517 31.201 31.823 -0.175 0.000 0.693 509 V HN 0.802 nan 8.190 nan 0.000 0.479 510 K N 0.289 120.910 120.400 0.367 0.000 2.360 510 K HA -0.150 4.212 4.320 0.071 0.000 0.201 510 K C 1.288 178.002 176.600 0.190 0.000 1.046 510 K CA 1.638 58.081 56.287 0.260 0.000 0.945 510 K CB -0.271 32.299 32.500 0.116 0.000 0.750 510 K HN 0.402 nan 8.250 nan 0.000 0.464 511 N N 0.593 119.415 118.700 0.204 0.000 2.299 511 N HA 0.155 4.937 4.740 0.071 0.000 0.187 511 N C 0.176 175.810 175.510 0.208 0.000 1.099 511 N CA 0.231 53.394 53.050 0.189 0.000 0.867 511 N CB 0.230 38.829 38.487 0.186 0.000 0.974 511 N HN 0.178 nan 8.380 nan 0.000 0.477 512 L N 0.299 121.626 121.223 0.174 0.000 2.400 512 L HA 0.455 4.837 4.340 0.071 0.000 0.264 512 L C -0.655 176.331 176.870 0.193 0.000 1.061 512 L CA -1.143 53.747 54.840 0.084 0.000 0.799 512 L CB 0.786 42.851 42.059 0.010 0.000 1.240 512 L HN 0.089 nan 8.230 nan 0.000 0.461 513 Y N -1.308 119.046 120.300 0.089 0.000 2.592 513 Y HA 0.592 5.173 4.550 0.052 0.000 0.334 513 Y C -1.258 174.709 175.900 0.112 0.000 1.136 513 Y CA -1.454 56.701 58.100 0.091 0.000 1.042 513 Y CB 0.812 39.320 38.460 0.080 0.000 1.325 513 Y HN 0.115 nan 8.280 nan 0.000 0.457 514 I N 4.292 125.032 120.570 0.284 0.000 2.321 514 I HA 0.344 4.557 4.170 0.071 0.000 0.291 514 I C 0.067 176.375 176.117 0.318 0.000 0.998 514 I CA -1.068 60.390 61.300 0.264 0.000 1.227 514 I CB 0.892 39.023 38.000 0.219 0.000 1.368 514 I HN 0.650 nan 8.210 nan 0.000 0.466 515 I N 5.044 125.822 120.570 0.346 0.000 2.474 515 I HA 0.084 4.296 4.170 0.071 0.000 0.287 515 I C 0.820 177.110 176.117 0.289 0.000 1.048 515 I CA -0.658 60.833 61.300 0.319 0.000 1.383 515 I CB 0.544 38.728 38.000 0.307 0.000 1.412 515 I HN 0.490 nan 8.210 nan 0.000 0.531 516 K N 7.013 127.517 120.400 0.173 0.000 2.511 516 K HA -0.011 4.352 4.320 0.071 0.000 0.280 516 K C -0.312 176.362 176.600 0.124 0.000 1.008 516 K CA 0.657 56.990 56.287 0.076 0.000 1.050 516 K CB 0.239 32.756 32.500 0.028 0.000 0.889 516 K HN 0.708 nan 8.250 nan 0.000 0.484 517 H N 0.000 119.011 119.070 -0.098 0.000 2.539 517 H HA 0.000 4.599 4.556 0.071 0.000 0.296 517 H CA 0.000 55.981 56.048 -0.112 0.000 1.023 517 H CB 0.000 29.677 29.762 -0.141 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496