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 2rkm_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 0.000 177.624 177.584 0.066 0.000 1.274 1 A CA 0.000 52.116 52.037 0.132 0.000 0.836 1 A CB 0.000 19.123 19.000 0.205 0.000 0.831 2 D N 2.178 122.623 120.400 0.076 0.000 2.477 2 D HA 0.402 5.094 4.640 0.085 0.000 0.239 2 D C -0.231 176.021 176.300 -0.081 0.000 1.102 2 D CA 0.040 54.047 54.000 0.011 0.000 0.901 2 D CB 1.556 42.384 40.800 0.046 0.000 1.026 2 D HN 0.273 nan 8.370 nan 0.000 0.515 3 V N 3.882 123.656 119.914 -0.233 0.000 2.470 3 V HA 0.165 4.336 4.120 0.085 0.000 0.276 3 V C -1.697 174.253 176.094 -0.240 0.000 1.040 3 V CA -1.256 60.748 62.300 -0.493 0.000 1.008 3 V CB 0.324 31.834 31.823 -0.521 0.000 0.990 3 V HN 0.308 nan 8.190 nan 0.000 0.477 4 P HA 0.215 nan 4.420 nan 0.000 0.266 4 P C -0.097 177.170 177.300 -0.054 0.000 1.195 4 P CA -0.076 62.991 63.100 -0.055 0.000 0.768 4 P CB 0.423 32.132 31.700 0.015 0.000 0.838 5 A N 2.404 125.208 122.820 -0.027 0.000 2.540 5 A HA 0.417 4.789 4.320 0.085 0.000 0.239 5 A C 1.564 179.143 177.584 -0.008 0.000 1.061 5 A CA 0.747 52.773 52.037 -0.019 0.000 0.758 5 A CB -1.122 17.873 19.000 -0.008 0.000 0.991 5 A HN 0.934 nan 8.150 nan 0.000 0.502 6 G N 0.993 109.789 108.800 -0.008 0.000 2.241 6 G HA2 -0.197 3.814 3.960 0.085 0.000 0.244 6 G HA3 -0.197 3.814 3.960 0.085 0.000 0.244 6 G C 0.343 175.250 174.900 0.012 0.000 0.998 6 G CA 0.077 45.180 45.100 0.005 0.000 0.621 6 G HN 1.439 nan 8.290 nan 0.000 0.519 7 V N 2.253 122.171 119.914 0.006 0.000 2.572 7 V HA 0.334 4.505 4.120 0.085 0.000 0.291 7 V C 0.721 176.829 176.094 0.022 0.000 1.039 7 V CA 0.355 62.672 62.300 0.029 0.000 1.055 7 V CB 1.399 33.234 31.823 0.021 0.000 0.969 7 V HN 0.477 nan 8.190 nan 0.000 0.482 8 Q N 4.782 124.613 119.800 0.051 0.000 2.278 8 Q HA 0.529 4.920 4.340 0.085 0.000 0.257 8 Q C -0.868 175.173 176.000 0.068 0.000 0.928 8 Q CA -0.378 55.450 55.803 0.042 0.000 0.932 8 Q CB 1.656 30.417 28.738 0.039 0.000 1.221 8 Q HN 0.593 nan 8.270 nan 0.000 0.434 9 L N 1.703 122.956 121.223 0.050 0.000 2.375 9 L HA 0.518 4.910 4.340 0.085 0.000 0.271 9 L C 0.378 177.279 176.870 0.051 0.000 1.107 9 L CA -0.765 54.121 54.840 0.076 0.000 0.806 9 L CB 0.980 43.072 42.059 0.054 0.000 1.146 9 L HN 0.652 nan 8.230 nan 0.000 0.447 10 A N 1.352 124.209 122.820 0.061 0.000 2.425 10 A HA 0.063 4.435 4.320 0.085 0.000 0.242 10 A C 0.635 178.209 177.584 -0.016 0.000 1.077 10 A CA -0.314 51.718 52.037 -0.008 0.000 0.781 10 A CB 0.205 19.185 19.000 -0.032 0.000 1.020 10 A HN 0.847 nan 8.150 nan 0.000 0.494 11 D N 0.031 120.402 120.400 -0.049 0.000 2.117 11 D HA -0.060 4.632 4.640 0.085 0.000 0.197 11 D C 0.724 177.007 176.300 -0.028 0.000 0.987 11 D CA 1.548 55.526 54.000 -0.037 0.000 0.829 11 D CB 0.088 40.858 40.800 -0.052 0.000 0.961 11 D HN 0.579 nan 8.370 nan 0.000 0.460 12 K N 1.245 121.617 120.400 -0.046 0.000 2.264 12 K HA 0.102 4.474 4.320 0.085 0.000 0.277 12 K C -0.565 176.031 176.600 -0.007 0.000 1.067 12 K CA -0.301 55.967 56.287 -0.032 0.000 0.900 12 K CB 0.562 33.028 32.500 -0.058 0.000 1.124 12 K HN -0.198 nan 8.250 nan 0.000 0.469 13 Q N 3.471 123.284 119.800 0.022 0.000 2.771 13 Q HA 0.119 4.510 4.340 0.085 0.000 0.239 13 Q C -0.725 175.304 176.000 0.049 0.000 1.231 13 Q CA -0.144 55.691 55.803 0.053 0.000 1.056 13 Q CB 1.071 29.854 28.738 0.074 0.000 1.284 13 Q HN 0.740 nan 8.270 nan 0.000 0.558 14 T N -1.434 113.139 114.554 0.032 0.000 2.893 14 T HA 0.766 5.168 4.350 0.085 0.000 0.291 14 T C -0.650 174.055 174.700 0.008 0.000 1.028 14 T CA -0.883 61.224 62.100 0.011 0.000 0.995 14 T CB 1.910 70.775 68.868 -0.005 0.000 1.051 14 T HN 0.235 nan 8.240 nan 0.000 0.470 15 L N 1.837 123.038 121.223 -0.037 0.000 2.422 15 L HA 0.822 5.213 4.340 0.085 0.000 0.264 15 L C -1.547 175.246 176.870 -0.128 0.000 0.984 15 L CA -0.723 54.079 54.840 -0.064 0.000 0.819 15 L CB 2.378 44.374 42.059 -0.105 0.000 1.330 15 L HN 0.719 nan 8.230 nan 0.000 0.410 16 V N 4.787 124.634 119.914 -0.110 0.000 2.483 16 V HA 0.624 4.795 4.120 0.085 0.000 0.297 16 V C -0.363 175.631 176.094 -0.166 0.000 1.027 16 V CA -0.576 61.639 62.300 -0.142 0.000 0.855 16 V CB 1.662 33.445 31.823 -0.067 0.000 0.995 16 V HN 0.710 nan 8.190 nan 0.000 0.424 17 R N 2.807 123.139 120.500 -0.280 0.000 2.562 17 R HA 0.473 4.864 4.340 0.085 0.000 0.298 17 R C -0.646 175.579 176.300 -0.125 0.000 0.961 17 R CA -0.866 55.091 56.100 -0.240 0.000 0.881 17 R CB 1.978 32.015 30.300 -0.439 0.000 1.159 17 R HN 0.686 nan 8.270 nan 0.000 0.450 18 N N 0.678 119.363 118.700 -0.025 0.000 2.518 18 N HA 0.041 4.832 4.740 0.085 0.000 0.283 18 N C -0.146 175.398 175.510 0.055 0.000 1.119 18 N CA -0.062 52.993 53.050 0.008 0.000 0.983 18 N CB 0.880 39.379 38.487 0.020 0.000 1.139 18 N HN 0.469 nan 8.380 nan 0.000 0.465 19 N N 1.226 119.892 118.700 -0.057 0.000 2.238 19 N HA 0.232 5.024 4.740 0.085 0.000 0.235 19 N C 0.731 175.769 175.510 -0.786 0.000 1.209 19 N CA 0.541 53.487 53.050 -0.174 0.000 0.879 19 N CB 0.125 38.598 38.487 -0.023 0.000 1.136 19 N HN 0.767 nan 8.380 nan 0.000 0.517 20 G N -0.152 108.065 108.800 -0.971 0.000 2.507 20 G HA2 -0.321 3.690 3.960 0.085 0.000 0.240 20 G HA3 -0.321 3.690 3.960 0.085 0.000 0.240 20 G C 0.162 174.719 174.900 -0.573 0.000 1.119 20 G CA 0.901 45.325 45.100 -1.127 0.000 0.664 20 G HN 1.052 nan 8.290 nan 0.000 0.516 21 S N -1.239 114.187 115.700 -0.457 0.000 2.655 21 S HA 0.560 5.081 4.470 0.085 0.000 0.266 21 S C -1.019 173.513 174.600 -0.113 0.000 1.149 21 S CA 0.183 58.245 58.200 -0.230 0.000 0.818 21 S CB 2.024 65.080 63.200 -0.240 0.000 1.130 21 S HN 1.081 nan 8.310 nan 0.000 0.476 22 E N 1.361 121.576 120.200 0.025 0.000 2.360 22 E HA 0.429 4.831 4.350 0.085 0.000 0.269 22 E C 0.310 177.004 176.600 0.157 0.000 1.022 22 E CA -0.493 55.967 56.400 0.100 0.000 0.887 22 E CB 0.849 30.634 29.700 0.141 0.000 0.990 22 E HN 0.929 nan 8.360 nan 0.000 0.426 23 V N 2.566 122.554 119.914 0.123 0.000 2.963 23 V HA 0.010 4.181 4.120 0.085 0.000 0.306 23 V C 1.091 177.317 176.094 0.219 0.000 1.077 23 V CA -0.012 62.370 62.300 0.138 0.000 1.124 23 V CB 0.974 32.780 31.823 -0.028 0.000 0.987 23 V HN 0.870 nan 8.190 nan 0.000 0.487 24 Q N 1.463 121.394 119.800 0.218 0.000 2.084 24 Q HA 0.059 4.450 4.340 0.085 0.000 0.202 24 Q C 1.061 177.149 176.000 0.146 0.000 0.978 24 Q CA 1.758 57.654 55.803 0.155 0.000 0.844 24 Q CB 0.156 28.957 28.738 0.105 0.000 0.898 24 Q HN 0.974 nan 8.270 nan 0.000 0.426 25 S N -2.496 113.275 115.700 0.118 0.000 2.627 25 S HA 0.290 4.812 4.470 0.085 0.000 0.268 25 S C -0.901 173.678 174.600 -0.036 0.000 1.130 25 S CA -0.769 57.495 58.200 0.107 0.000 0.819 25 S CB 0.273 63.512 63.200 0.065 0.000 1.100 25 S HN 0.177 nan 8.310 nan 0.000 0.465 26 L N 1.265 122.427 121.223 -0.102 0.000 2.693 26 L HA 0.370 4.761 4.340 0.085 0.000 0.235 26 L C 0.155 176.928 176.870 -0.161 0.000 1.127 26 L CA -0.019 54.701 54.840 -0.201 0.000 0.914 26 L CB 0.226 42.085 42.059 -0.333 0.000 1.193 26 L HN 0.577 nan 8.230 nan 0.000 0.502 27 D N 1.397 121.701 120.400 -0.161 0.000 2.317 27 D HA 0.106 4.798 4.640 0.085 0.000 0.252 27 D C -1.660 174.582 176.300 -0.096 0.000 1.174 27 D CA -1.962 51.982 54.000 -0.093 0.000 0.866 27 D CB 1.907 42.750 40.800 0.072 0.000 1.127 27 D HN -0.125 nan 8.370 nan 0.000 0.467 28 P HA -0.121 nan 4.420 nan 0.000 0.218 28 P C 0.376 177.623 177.300 -0.089 0.000 1.146 28 P CA 1.334 64.278 63.100 -0.260 0.000 0.813 28 P CB 0.037 31.470 31.700 -0.444 0.000 0.778 29 H N -1.610 117.452 119.070 -0.012 0.000 2.539 29 H HA 0.181 4.788 4.556 0.085 0.000 0.269 29 H C 0.942 176.291 175.328 0.035 0.000 0.980 29 H CA 0.025 56.078 56.048 0.008 0.000 1.152 29 H CB 0.312 30.080 29.762 0.010 0.000 1.407 29 H HN -0.032 nan 8.280 nan 0.000 0.564 30 K N 1.155 121.637 120.400 0.136 0.000 2.478 30 K HA 0.215 4.587 4.320 0.085 0.000 0.205 30 K C 0.041 176.687 176.600 0.076 0.000 1.033 30 K CA 0.033 56.377 56.287 0.095 0.000 1.091 30 K CB 0.828 33.379 32.500 0.084 0.000 0.844 30 K HN 0.386 nan 8.250 nan 0.000 0.507 31 I N -1.909 118.718 120.570 0.095 0.000 2.797 31 I HA 0.356 4.577 4.170 0.085 0.000 0.307 31 I C 0.579 176.828 176.117 0.221 0.000 1.033 31 I CA -0.667 60.697 61.300 0.107 0.000 1.071 31 I CB 1.945 39.970 38.000 0.041 0.000 1.255 31 I HN -0.007 nan 8.210 nan 0.000 0.445 32 E N 2.320 122.663 120.200 0.239 0.000 2.679 32 E HA 0.309 4.710 4.350 0.085 0.000 0.221 32 E C 0.374 177.176 176.600 0.336 0.000 0.928 32 E CA -0.295 56.334 56.400 0.382 0.000 1.296 32 E CB 0.863 30.700 29.700 0.228 0.000 1.235 32 E HN 0.819 nan 8.360 nan 0.000 0.622 33 G N 0.721 109.706 108.800 0.309 0.000 2.667 33 G HA2 0.391 4.403 3.960 0.085 0.000 0.310 33 G HA3 0.391 4.403 3.960 0.085 0.000 0.310 33 G C 0.817 175.832 174.900 0.191 0.000 1.259 33 G CA -0.394 44.935 45.100 0.381 0.000 1.019 33 G HN -0.052 nan 8.290 nan 0.000 0.496 34 V N 1.216 121.216 119.914 0.143 0.000 2.261 34 V HA -0.089 4.082 4.120 0.085 0.000 0.246 34 V C -0.085 176.022 176.094 0.020 0.000 1.047 34 V CA 2.306 64.632 62.300 0.044 0.000 1.015 34 V CB -1.004 30.854 31.823 0.060 0.000 0.642 34 V HN 0.540 nan 8.190 nan 0.000 0.446 35 P HA -0.135 nan 4.420 nan 0.000 0.215 35 P C 1.463 178.692 177.300 -0.119 0.000 1.153 35 P CA 1.354 64.388 63.100 -0.110 0.000 0.853 35 P CB 0.016 31.532 31.700 -0.306 0.000 0.788 36 E N -0.505 119.681 120.200 -0.025 0.000 2.077 36 E HA -0.109 4.293 4.350 0.085 0.000 0.193 36 E C 2.178 178.693 176.600 -0.140 0.000 0.989 36 E CA 1.482 57.845 56.400 -0.061 0.000 0.800 36 E CB -1.036 28.689 29.700 0.042 0.000 0.746 36 E HN 0.147 nan 8.360 nan 0.000 0.452 37 S N 0.761 116.384 115.700 -0.129 0.000 2.402 37 S HA -0.087 4.434 4.470 0.085 0.000 0.229 37 S C 1.568 176.037 174.600 -0.220 0.000 1.021 37 S CA 0.706 58.790 58.200 -0.193 0.000 0.974 37 S CB -0.255 62.825 63.200 -0.201 0.000 0.800 37 S HN 0.244 nan 8.310 nan 0.000 0.484 38 N N 1.454 120.028 118.700 -0.211 0.000 2.104 38 N HA -0.066 4.725 4.740 0.085 0.000 0.190 38 N C 1.676 176.925 175.510 -0.435 0.000 1.024 38 N CA 1.091 53.992 53.050 -0.249 0.000 0.853 38 N CB -0.587 37.802 38.487 -0.164 0.000 1.008 38 N HN 0.244 nan 8.380 nan 0.000 0.424 39 V N -0.011 119.557 119.914 -0.576 0.000 2.488 39 V HA -0.065 4.106 4.120 0.085 0.000 0.246 39 V C 2.419 178.316 176.094 -0.329 0.000 1.046 39 V CA 1.222 63.121 62.300 -0.668 0.000 1.053 39 V CB -0.600 30.815 31.823 -0.681 0.000 0.679 39 V HN 0.271 nan 8.190 nan 0.000 0.458 40 S N -0.134 115.434 115.700 -0.220 0.000 2.370 40 S HA -0.228 4.293 4.470 0.085 0.000 0.226 40 S C 2.190 176.770 174.600 -0.034 0.000 1.033 40 S CA 1.625 59.794 58.200 -0.052 0.000 1.011 40 S CB -0.261 62.899 63.200 -0.067 0.000 0.852 40 S HN 0.531 nan 8.310 nan 0.000 0.457 41 R N 0.470 120.885 120.500 -0.141 0.000 2.159 41 R HA -0.067 4.324 4.340 0.085 0.000 0.237 41 R C 1.496 177.794 176.300 -0.003 0.000 1.131 41 R CA 1.519 57.534 56.100 -0.141 0.000 0.982 41 R CB -0.303 29.686 30.300 -0.517 0.000 0.868 41 R HN 0.431 nan 8.270 nan 0.000 0.453 42 D N 0.016 120.394 120.400 -0.037 0.000 2.289 42 D HA -0.022 4.669 4.640 0.085 0.000 0.207 42 D C 1.770 178.075 176.300 0.008 0.000 0.966 42 D CA 0.842 54.881 54.000 0.064 0.000 0.868 42 D CB 0.261 41.067 40.800 0.009 0.000 0.943 42 D HN 0.217 nan 8.370 nan 0.000 0.514 43 L N -1.370 119.783 121.223 -0.116 0.000 2.388 43 L HA 0.164 4.556 4.340 0.085 0.000 0.209 43 L C 0.027 176.579 176.870 -0.529 0.000 1.061 43 L CA 0.356 54.979 54.840 -0.362 0.000 0.834 43 L CB 0.296 42.025 42.059 -0.550 0.000 1.029 43 L HN -0.168 nan 8.230 nan 0.000 0.473 44 F N -0.210 119.759 119.950 0.032 0.000 2.507 44 F HA 0.404 4.982 4.527 0.084 0.000 0.325 44 F C 0.009 175.843 175.800 0.058 0.000 1.116 44 F CA -0.784 57.245 58.000 0.049 0.000 0.930 44 F CB 1.681 40.722 39.000 0.069 0.000 1.146 44 F HN -0.198 nan 8.300 nan 0.000 0.447 45 E N 1.823 122.157 120.200 0.224 0.000 2.165 45 E HA 0.587 4.989 4.350 0.085 0.000 0.266 45 E C -0.070 176.692 176.600 0.270 0.000 0.889 45 E CA -0.523 56.021 56.400 0.240 0.000 0.756 45 E CB 1.430 31.288 29.700 0.263 0.000 1.131 45 E HN 0.825 nan 8.360 nan 0.000 0.411 46 G N 2.954 111.929 108.800 0.292 0.000 2.509 46 G HA2 0.127 4.138 3.960 0.085 0.000 0.269 46 G HA3 0.127 4.138 3.960 0.085 0.000 0.269 46 G C 0.867 175.927 174.900 0.267 0.000 1.416 46 G CA -0.470 44.865 45.100 0.391 0.000 1.052 46 G HN 0.594 nan 8.290 nan 0.000 0.542 47 L N -1.316 119.925 121.223 0.030 0.000 2.017 47 L HA 0.060 4.451 4.340 0.085 0.000 0.208 47 L C 0.569 177.367 176.870 -0.121 0.000 1.073 47 L CA 0.756 55.426 54.840 -0.284 0.000 0.745 47 L CB -0.487 41.158 42.059 -0.691 0.000 0.894 47 L HN 0.104 nan 8.230 nan 0.000 0.432 48 L N -1.256 119.919 121.223 -0.080 0.000 2.301 48 L HA 0.560 4.951 4.340 0.085 0.000 0.264 48 L C -0.332 176.608 176.870 0.117 0.000 1.016 48 L CA -0.496 54.343 54.840 -0.001 0.000 0.821 48 L CB 1.997 44.001 42.059 -0.092 0.000 1.346 48 L HN -0.036 nan 8.230 nan 0.000 0.429 49 I N -3.228 117.437 120.570 0.158 0.000 3.042 49 I HA 0.682 4.903 4.170 0.085 0.000 0.310 49 I C -0.518 175.703 176.117 0.173 0.000 1.117 49 I CA -0.699 60.697 61.300 0.160 0.000 1.003 49 I CB 2.280 40.259 38.000 -0.034 0.000 1.228 49 I HN 0.322 nan 8.210 nan 0.000 0.443 50 S N 1.910 117.760 115.700 0.251 0.000 2.562 50 S HA 0.255 4.776 4.470 0.085 0.000 0.275 50 S C -0.493 174.207 174.600 0.166 0.000 1.281 50 S CA -0.590 57.766 58.200 0.259 0.000 1.045 50 S CB 0.792 64.194 63.200 0.338 0.000 0.962 50 S HN 0.811 nan 8.310 nan 0.000 0.503 51 D N 0.742 121.250 120.400 0.180 0.000 2.440 51 D HA 0.051 4.743 4.640 0.085 0.000 0.269 51 D C 1.607 177.997 176.300 0.151 0.000 1.249 51 D CA -0.577 53.512 54.000 0.149 0.000 1.055 51 D CB -0.362 40.562 40.800 0.207 0.000 1.104 51 D HN 0.276 nan 8.370 nan 0.000 0.561 52 V N -3.166 116.831 119.914 0.137 0.000 3.078 52 V HA -0.046 4.125 4.120 0.085 0.000 0.265 52 V C 1.208 177.336 176.094 0.056 0.000 1.122 52 V CA 1.376 63.748 62.300 0.120 0.000 1.141 52 V CB -1.123 30.768 31.823 0.114 0.000 0.735 52 V HN 0.522 nan 8.190 nan 0.000 0.498 53 E N 0.484 120.697 120.200 0.022 0.000 2.498 53 E HA 0.405 4.806 4.350 0.085 0.000 0.203 53 E C 1.584 178.038 176.600 -0.243 0.000 1.013 53 E CA 0.466 56.800 56.400 -0.111 0.000 0.927 53 E CB 0.772 30.416 29.700 -0.094 0.000 1.012 53 E HN 0.759 nan 8.360 nan 0.000 0.482 54 G N 1.611 110.342 108.800 -0.115 0.000 2.179 54 G HA2 -0.226 3.785 3.960 0.085 0.000 0.220 54 G HA3 -0.226 3.785 3.960 0.085 0.000 0.220 54 G C -0.157 174.731 174.900 -0.022 0.000 0.990 54 G CA -0.245 44.821 45.100 -0.057 0.000 0.646 54 G HN 0.396 nan 8.290 nan 0.000 0.517 55 H N 1.799 120.963 119.070 0.157 0.000 2.683 55 H HA 0.424 5.004 4.556 0.040 0.000 0.339 55 H C -2.173 173.287 175.328 0.220 0.000 1.081 55 H CA -1.210 54.950 56.048 0.185 0.000 1.432 55 H CB 0.754 30.622 29.762 0.175 0.000 1.462 55 H HN 0.115 nan 8.280 nan 0.000 0.557 56 P HA 0.022 nan 4.420 nan 0.000 0.263 56 P C -0.680 176.869 177.300 0.415 0.000 1.195 56 P CA 0.402 63.725 63.100 0.372 0.000 0.762 56 P CB 0.852 32.825 31.700 0.454 0.000 0.799 57 S N 3.767 119.685 115.700 0.363 0.000 2.671 57 S HA 0.587 5.108 4.470 0.085 0.000 0.277 57 S C -2.849 172.004 174.600 0.423 0.000 1.165 57 S CA -1.529 56.911 58.200 0.400 0.000 0.822 57 S CB 1.212 64.585 63.200 0.287 0.000 1.150 57 S HN 0.195 nan 8.310 nan 0.000 0.479 58 P HA 0.233 nan 4.420 nan 0.000 0.264 58 P C -0.010 177.484 177.300 0.323 0.000 1.193 58 P CA 0.339 63.710 63.100 0.451 0.000 0.763 58 P CB 0.314 32.209 31.700 0.325 0.000 0.810 59 G N 1.484 110.438 108.800 0.257 0.000 3.306 59 G HA2 0.137 4.148 3.960 0.085 0.000 0.202 59 G HA3 0.137 4.148 3.960 0.085 0.000 0.202 59 G C 0.993 176.005 174.900 0.186 0.000 1.673 59 G CA -0.268 44.999 45.100 0.279 0.000 0.776 59 G HN 0.255 nan 8.290 nan 0.000 0.740 60 V N 1.880 121.876 119.914 0.137 0.000 2.427 60 V HA 0.164 4.335 4.120 0.085 0.000 0.248 60 V C 1.863 177.912 176.094 -0.075 0.000 1.051 60 V CA 1.369 63.675 62.300 0.009 0.000 1.048 60 V CB -0.822 31.074 31.823 0.121 0.000 0.666 60 V HN 0.612 nan 8.190 nan 0.000 0.456 61 A N 0.984 123.803 122.820 -0.002 0.000 2.409 61 A HA 0.270 4.641 4.320 0.085 0.000 0.267 61 A C 1.257 178.987 177.584 0.243 0.000 1.127 61 A CA -0.007 52.118 52.037 0.147 0.000 0.795 61 A CB 0.111 19.288 19.000 0.295 0.000 1.061 61 A HN 0.642 nan 8.150 nan 0.000 0.502 62 E N 2.439 122.731 120.200 0.154 0.000 2.340 62 E HA 0.067 4.468 4.350 0.085 0.000 0.194 62 E C 0.231 176.893 176.600 0.104 0.000 0.996 62 E CA 0.652 57.096 56.400 0.074 0.000 0.869 62 E CB -0.065 29.580 29.700 -0.092 0.000 0.835 62 E HN 0.703 nan 8.360 nan 0.000 0.493 63 K N -0.362 120.168 120.400 0.217 0.000 2.575 63 K HA 0.507 4.878 4.320 0.085 0.000 0.279 63 K C -1.899 174.914 176.600 0.355 0.000 0.969 63 K CA -1.092 55.200 56.287 0.007 0.000 0.868 63 K CB 1.094 33.534 32.500 -0.100 0.000 1.457 63 K HN 0.146 nan 8.250 nan 0.000 0.426 64 W N 0.003 121.378 121.300 0.125 0.000 3.137 64 W HA 0.672 5.378 4.660 0.078 0.000 0.324 64 W C -1.589 174.895 176.519 -0.059 0.000 1.253 64 W CA -0.563 56.773 57.345 -0.016 0.000 1.183 64 W CB 1.136 30.501 29.460 -0.158 0.000 1.424 64 W HN 0.640 nan 8.180 nan 0.000 0.566 65 E N 1.206 121.437 120.200 0.051 0.000 2.416 65 E HA 0.506 4.908 4.350 0.085 0.000 0.273 65 E C -1.265 175.193 176.600 -0.237 0.000 0.935 65 E CA -1.161 55.191 56.400 -0.081 0.000 0.784 65 E CB 2.102 31.749 29.700 -0.089 0.000 1.301 65 E HN 0.531 nan 8.360 nan 0.000 0.454 66 N N -0.659 117.779 118.700 -0.438 0.000 2.284 66 N HA 0.411 5.202 4.740 0.085 0.000 0.289 66 N C -1.509 173.640 175.510 -0.602 0.000 1.179 66 N CA -1.065 51.498 53.050 -0.813 0.000 0.774 66 N CB 1.835 39.317 38.487 -1.675 0.000 1.548 66 N HN 0.266 nan 8.380 nan 0.000 0.473 67 K N 0.973 121.038 120.400 -0.559 0.000 2.425 67 K HA 0.224 4.596 4.320 0.085 0.000 0.259 67 K C -0.899 175.441 176.600 -0.434 0.000 0.978 67 K CA -0.388 55.652 56.287 -0.411 0.000 0.883 67 K CB 0.352 32.693 32.500 -0.266 0.000 1.110 67 K HN 0.674 nan 8.250 nan 0.000 0.436 68 D N 4.240 124.334 120.400 -0.511 0.000 2.911 68 D HA -0.227 4.464 4.640 0.085 0.000 0.227 68 D C -0.390 175.700 176.300 -0.351 0.000 1.164 68 D CA 1.391 55.118 54.000 -0.454 0.000 0.782 68 D CB -1.060 39.617 40.800 -0.204 0.000 1.094 68 D HN 0.750 nan 8.370 nan 0.000 0.425 69 F N -2.407 117.412 119.950 -0.219 0.000 3.006 69 F HA -0.326 4.251 4.527 0.084 0.000 0.289 69 F C 1.629 177.479 175.800 0.083 0.000 0.772 69 F CA 1.448 59.403 58.000 -0.075 0.000 1.162 69 F CB -2.051 37.022 39.000 0.122 0.000 1.382 69 F HN 0.219 nan 8.300 nan 0.000 0.406 70 K N -0.967 119.435 120.400 0.004 0.000 2.403 70 K HA 0.400 4.771 4.320 0.085 0.000 0.199 70 K C 0.190 176.808 176.600 0.029 0.000 1.199 70 K CA 0.709 57.033 56.287 0.061 0.000 0.924 70 K CB 1.125 33.626 32.500 0.002 0.000 1.137 70 K HN -0.005 nan 8.250 nan 0.000 0.510 71 V N 1.790 121.615 119.914 -0.148 0.000 2.378 71 V HA 0.263 4.434 4.120 0.085 0.000 0.288 71 V C -1.503 174.454 176.094 -0.228 0.000 1.016 71 V CA -0.729 61.512 62.300 -0.098 0.000 0.840 71 V CB 0.742 32.497 31.823 -0.113 0.000 0.994 71 V HN 0.171 nan 8.190 nan 0.000 0.431 72 W N 2.532 123.782 121.300 -0.083 0.000 2.417 72 W HA 0.636 5.346 4.660 0.084 0.000 0.315 72 W C 0.217 176.574 176.519 -0.271 0.000 1.045 72 W CA -0.420 56.851 57.345 -0.123 0.000 1.221 72 W CB 1.891 31.425 29.460 0.123 0.000 1.309 72 W HN 0.377 nan 8.180 nan 0.000 0.453 73 T N 4.379 118.779 114.554 -0.256 0.000 2.770 73 T HA 0.488 4.890 4.350 0.085 0.000 0.283 73 T C -1.002 173.409 174.700 -0.482 0.000 0.988 73 T CA -0.513 61.412 62.100 -0.292 0.000 0.957 73 T CB 0.271 69.003 68.868 -0.226 0.000 0.930 73 T HN -0.022 nan 8.240 nan 0.000 0.443 74 F N 2.752 122.660 119.950 -0.070 0.000 2.427 74 F HA 0.334 4.911 4.527 0.083 0.000 0.346 74 F C 0.983 176.671 175.800 -0.187 0.000 1.120 74 F CA -1.026 56.972 58.000 -0.004 0.000 1.033 74 F CB 1.019 40.061 39.000 0.070 0.000 1.126 74 F HN 0.498 nan 8.300 nan 0.000 0.462 75 H N 5.404 124.641 119.070 0.278 0.000 2.690 75 H HA 0.316 4.923 4.556 0.084 0.000 0.289 75 H C -0.207 175.195 175.328 0.123 0.000 1.089 75 H CA -0.391 55.751 56.048 0.157 0.000 1.299 75 H CB 0.779 30.590 29.762 0.081 0.000 1.405 75 H HN 0.456 nan 8.280 nan 0.000 0.463 76 L N 3.997 125.323 121.223 0.171 0.000 2.349 76 L HA 0.249 4.640 4.340 0.085 0.000 0.275 76 L C 1.178 178.042 176.870 -0.010 0.000 1.115 76 L CA -0.650 54.233 54.840 0.073 0.000 0.820 76 L CB 0.622 42.732 42.059 0.085 0.000 1.135 76 L HN 0.479 nan 8.230 nan 0.000 0.445 77 R N 2.284 122.704 120.500 -0.133 0.000 2.570 77 R HA 0.054 4.445 4.340 0.085 0.000 0.277 77 R C 0.295 176.461 176.300 -0.223 0.000 1.039 77 R CA -0.403 55.554 56.100 -0.237 0.000 1.065 77 R CB 0.724 30.758 30.300 -0.444 0.000 0.964 77 R HN 0.629 nan 8.270 nan 0.000 0.428 78 E N 1.949 121.982 120.200 -0.277 0.000 2.204 78 E HA -0.189 4.212 4.350 0.085 0.000 0.195 78 E C 0.553 177.086 176.600 -0.112 0.000 0.990 78 E CA 1.395 57.609 56.400 -0.309 0.000 0.821 78 E CB -0.040 29.480 29.700 -0.299 0.000 0.750 78 E HN 0.764 nan 8.360 nan 0.000 0.477 79 N N 0.780 119.425 118.700 -0.092 0.000 2.276 79 N HA 0.070 4.861 4.740 0.085 0.000 0.212 79 N C -0.153 175.377 175.510 0.032 0.000 1.127 79 N CA 0.019 53.065 53.050 -0.007 0.000 0.834 79 N CB 0.073 38.571 38.487 0.017 0.000 1.014 79 N HN -0.082 nan 8.380 nan 0.000 0.491 80 A N 0.712 123.520 122.820 -0.020 0.000 2.492 80 A HA 0.380 4.751 4.320 0.085 0.000 0.254 80 A C 0.091 177.716 177.584 0.069 0.000 1.091 80 A CA 0.009 52.065 52.037 0.031 0.000 0.768 80 A CB 0.247 19.227 19.000 -0.034 0.000 1.028 80 A HN 0.348 nan 8.150 nan 0.000 0.498 81 K N 1.312 121.768 120.400 0.094 0.000 2.477 81 K HA 0.386 4.757 4.320 0.085 0.000 0.255 81 K C -1.321 175.319 176.600 0.068 0.000 0.952 81 K CA -0.502 55.846 56.287 0.102 0.000 0.826 81 K CB 1.678 34.269 32.500 0.152 0.000 1.331 81 K HN 0.769 nan 8.250 nan 0.000 0.437 82 W N 0.450 121.835 121.300 0.142 0.000 2.141 82 W HA 0.030 4.743 4.660 0.089 0.000 0.354 82 W C 1.717 178.298 176.519 0.102 0.000 1.297 82 W CA -0.075 57.345 57.345 0.124 0.000 1.380 82 W CB 0.642 30.166 29.460 0.108 0.000 1.168 82 W HN 0.717 nan 8.180 nan 0.000 0.639 83 S N -0.532 115.391 115.700 0.372 0.000 2.474 83 S HA -0.218 4.304 4.470 0.085 0.000 0.235 83 S C 0.937 175.644 174.600 0.180 0.000 0.997 83 S CA 1.387 59.715 58.200 0.214 0.000 0.949 83 S CB -0.478 62.819 63.200 0.161 0.000 0.766 83 S HN 0.610 nan 8.310 nan 0.000 0.517 84 D N 0.108 120.630 120.400 0.204 0.000 2.328 84 D HA 0.276 4.967 4.640 0.085 0.000 0.221 84 D C 1.388 177.773 176.300 0.142 0.000 1.072 84 D CA 0.505 54.590 54.000 0.142 0.000 0.850 84 D CB -0.515 40.349 40.800 0.107 0.000 0.922 84 D HN 0.519 nan 8.370 nan 0.000 0.516 85 G N 0.226 109.132 108.800 0.177 0.000 2.195 85 G HA2 -0.270 3.741 3.960 0.085 0.000 0.246 85 G HA3 -0.270 3.741 3.960 0.085 0.000 0.246 85 G C 0.506 175.513 174.900 0.178 0.000 0.984 85 G CA 0.446 45.639 45.100 0.155 0.000 0.633 85 G HN 0.806 nan 8.290 nan 0.000 0.525 86 T N 0.148 114.837 114.554 0.226 0.000 2.910 86 T HA 0.613 5.015 4.350 0.085 0.000 0.293 86 T C -2.235 172.672 174.700 0.346 0.000 1.015 86 T CA -1.382 60.863 62.100 0.241 0.000 1.094 86 T CB 2.115 71.097 68.868 0.189 0.000 0.968 86 T HN 0.098 nan 8.240 nan 0.000 0.521 87 P HA 0.239 nan 4.420 nan 0.000 0.269 87 P C -0.558 176.933 177.300 0.318 0.000 1.209 87 P CA -0.523 62.729 63.100 0.253 0.000 0.776 87 P CB 0.376 32.205 31.700 0.215 0.000 0.876 88 V N 3.309 123.313 119.914 0.149 0.000 2.461 88 V HA 0.350 4.522 4.120 0.085 0.000 0.275 88 V C 0.939 177.144 176.094 0.184 0.000 1.047 88 V CA 0.183 62.523 62.300 0.067 0.000 0.955 88 V CB 0.598 32.296 31.823 -0.207 0.000 0.988 88 V HN 0.762 nan 8.190 nan 0.000 0.471 89 T N 1.873 116.565 114.554 0.230 0.000 2.910 89 T HA 0.676 5.078 4.350 0.085 0.000 0.287 89 T C 1.081 175.860 174.700 0.131 0.000 1.050 89 T CA -0.064 62.129 62.100 0.155 0.000 1.011 89 T CB 1.970 70.930 68.868 0.154 0.000 1.195 89 T HN 0.586 nan 8.240 nan 0.000 0.540 90 A N -0.120 122.676 122.820 -0.039 0.000 2.019 90 A HA -0.061 4.311 4.320 0.085 0.000 0.219 90 A C 2.082 179.640 177.584 -0.043 0.000 1.164 90 A CA 1.167 53.174 52.037 -0.049 0.000 0.644 90 A CB -1.263 17.700 19.000 -0.063 0.000 0.805 90 A HN 0.941 nan 8.150 nan 0.000 0.449 91 H N 0.370 119.526 119.070 0.145 0.000 2.421 91 H HA -0.097 4.510 4.556 0.086 0.000 0.298 91 H C 1.247 176.659 175.328 0.140 0.000 1.087 91 H CA 1.416 57.545 56.048 0.135 0.000 1.330 91 H CB -0.259 29.556 29.762 0.088 0.000 1.388 91 H HN 0.488 nan 8.280 nan 0.000 0.526 92 D N 0.475 121.007 120.400 0.220 0.000 2.117 92 D HA -0.116 4.575 4.640 0.085 0.000 0.197 92 D C 2.011 178.306 176.300 -0.008 0.000 0.987 92 D CA 0.775 54.868 54.000 0.157 0.000 0.829 92 D CB -0.416 40.511 40.800 0.212 0.000 0.961 92 D HN 0.277 nan 8.370 nan 0.000 0.460 93 F N 0.726 120.560 119.950 -0.193 0.000 2.206 93 F HA -0.124 4.454 4.527 0.084 0.000 0.298 93 F C 2.506 178.086 175.800 -0.367 0.000 1.090 93 F CA 0.362 58.006 58.000 -0.593 0.000 1.323 93 F CB -0.467 37.571 39.000 -1.603 0.000 1.028 93 F HN -0.191 nan 8.300 nan 0.000 0.492 94 V N -0.586 119.409 119.914 0.135 0.000 2.261 94 V HA -0.344 3.827 4.120 0.085 0.000 0.246 94 V C 2.086 178.337 176.094 0.262 0.000 1.047 94 V CA 2.123 64.609 62.300 0.311 0.000 1.015 94 V CB -0.911 31.108 31.823 0.327 0.000 0.642 94 V HN 0.414 nan 8.190 nan 0.000 0.446 95 Y N 1.454 121.836 120.300 0.137 0.000 2.128 95 Y HA -0.267 4.334 4.550 0.085 0.000 0.284 95 Y C 2.720 178.706 175.900 0.144 0.000 1.154 95 Y CA 2.017 60.183 58.100 0.110 0.000 1.149 95 Y CB -0.497 37.998 38.460 0.058 0.000 0.976 95 Y HN 0.222 nan 8.280 nan 0.000 0.505 96 S N -0.418 115.324 115.700 0.070 0.000 2.356 96 S HA -0.201 4.320 4.470 0.085 0.000 0.223 96 S C 1.533 176.285 174.600 0.254 0.000 1.032 96 S CA 1.466 59.739 58.200 0.122 0.000 1.005 96 S CB -0.709 62.620 63.200 0.215 0.000 0.867 96 S HN 0.651 nan 8.310 nan 0.000 0.449 97 W N 2.242 123.566 121.300 0.040 0.000 2.402 97 W HA 0.060 4.770 4.660 0.083 0.000 0.286 97 W C 2.421 178.911 176.519 -0.048 0.000 1.221 97 W CA -0.081 57.292 57.345 0.047 0.000 1.257 97 W CB -1.099 28.491 29.460 0.217 0.000 1.120 97 W HN 0.417 nan 8.180 nan 0.000 0.551 98 Q N -0.157 119.735 119.800 0.152 0.000 2.079 98 Q HA -0.186 4.206 4.340 0.085 0.000 0.200 98 Q C 2.309 178.241 176.000 -0.113 0.000 0.974 98 Q CA 1.617 57.438 55.803 0.029 0.000 0.840 98 Q CB -0.413 28.343 28.738 0.030 0.000 0.898 98 Q HN 0.248 nan 8.270 nan 0.000 0.430 99 R N 0.526 120.865 120.500 -0.268 0.000 2.096 99 R HA -0.173 4.218 4.340 0.085 0.000 0.235 99 R C 2.207 178.275 176.300 -0.386 0.000 1.127 99 R CA 0.971 56.877 56.100 -0.323 0.000 0.968 99 R CB -0.217 29.848 30.300 -0.391 0.000 0.861 99 R HN 0.214 nan 8.270 nan 0.000 0.440 100 L N 0.560 121.423 121.223 -0.600 0.000 2.046 100 L HA -0.062 4.329 4.340 0.085 0.000 0.208 100 L C 2.191 178.911 176.870 -0.251 0.000 1.077 100 L CA 2.199 56.685 54.840 -0.591 0.000 0.747 100 L CB -0.603 41.131 42.059 -0.541 0.000 0.896 100 L HN 0.240 nan 8.230 nan 0.000 0.432 101 A N -1.342 121.387 122.820 -0.152 0.000 1.968 101 A HA -0.133 4.238 4.320 0.085 0.000 0.217 101 A C 1.036 178.582 177.584 -0.064 0.000 1.169 101 A CA 0.779 52.769 52.037 -0.078 0.000 0.638 101 A CB -0.780 18.209 19.000 -0.018 0.000 0.812 101 A HN 0.513 nan 8.150 nan 0.000 0.446 102 D N 0.127 120.484 120.400 -0.071 0.000 2.434 102 D HA 0.102 4.793 4.640 0.085 0.000 0.252 102 D C -1.469 174.806 176.300 -0.042 0.000 1.185 102 D CA -1.854 52.118 54.000 -0.046 0.000 0.886 102 D CB 1.030 41.801 40.800 -0.047 0.000 1.148 102 D HN 0.074 nan 8.370 nan 0.000 0.483 103 P HA -0.128 nan 4.420 nan 0.000 0.219 103 P C 0.775 178.066 177.300 -0.015 0.000 1.146 103 P CA 0.737 63.824 63.100 -0.021 0.000 0.808 103 P CB 0.298 31.990 31.700 -0.013 0.000 0.779 104 N N -0.851 117.844 118.700 -0.009 0.000 2.381 104 N HA -0.062 4.729 4.740 0.085 0.000 0.182 104 N C 1.446 176.959 175.510 0.005 0.000 1.025 104 N CA 1.233 54.284 53.050 0.001 0.000 0.888 104 N CB -0.843 37.650 38.487 0.008 0.000 0.965 104 N HN 0.199 nan 8.380 nan 0.000 0.438 105 T N 0.563 115.114 114.554 -0.005 0.000 2.985 105 T HA 0.119 4.521 4.350 0.085 0.000 0.266 105 T C 1.019 175.721 174.700 0.003 0.000 1.076 105 T CA 0.745 62.849 62.100 0.007 0.000 1.135 105 T CB -0.182 68.674 68.868 -0.021 0.000 0.890 105 T HN 0.364 nan 8.240 nan 0.000 0.480 106 A N 1.832 124.642 122.820 -0.018 0.000 2.640 106 A HA -0.146 4.226 4.320 0.085 0.000 0.300 106 A C 0.898 178.458 177.584 -0.040 0.000 1.499 106 A CA 0.648 52.666 52.037 -0.032 0.000 0.759 106 A CB -2.174 16.809 19.000 -0.029 0.000 1.048 106 A HN 0.502 nan 8.150 nan 0.000 0.450 107 S N 0.320 116.000 115.700 -0.033 0.000 2.564 107 S HA 0.498 5.019 4.470 0.085 0.000 0.278 107 S C -0.170 174.402 174.600 -0.046 0.000 1.333 107 S CA -0.715 57.480 58.200 -0.009 0.000 1.048 107 S CB 0.668 63.872 63.200 0.006 0.000 0.900 107 S HN 0.426 nan 8.310 nan 0.000 0.505 108 P HA -0.030 nan 4.420 nan 0.000 0.226 108 P C 0.041 177.269 177.300 -0.119 0.000 1.153 108 P CA 1.061 64.079 63.100 -0.137 0.000 0.777 108 P CB -0.045 31.572 31.700 -0.138 0.000 0.794 109 Y N -0.780 119.513 120.300 -0.013 0.000 2.658 109 Y HA 0.462 5.064 4.550 0.087 0.000 0.276 109 Y C 2.204 178.050 175.900 -0.090 0.000 1.167 109 Y CA -0.317 57.769 58.100 -0.025 0.000 1.230 109 Y CB -0.485 37.968 38.460 -0.011 0.000 1.144 109 Y HN -0.075 nan 8.280 nan 0.000 0.529 110 A N -0.694 122.124 122.820 -0.004 0.000 1.948 110 A HA -0.202 4.169 4.320 0.085 0.000 0.220 110 A C 2.309 179.822 177.584 -0.118 0.000 1.177 110 A CA 2.250 54.249 52.037 -0.064 0.000 0.636 110 A CB -0.644 18.314 19.000 -0.070 0.000 0.815 110 A HN 0.327 nan 8.150 nan 0.000 0.449 111 S N -1.844 113.746 115.700 -0.184 0.000 2.547 111 S HA -0.073 4.448 4.470 0.085 0.000 0.235 111 S C 1.481 175.599 174.600 -0.803 0.000 0.980 111 S CA 0.641 58.617 58.200 -0.374 0.000 0.941 111 S CB -0.502 62.523 63.200 -0.292 0.000 0.763 111 S HN 0.634 nan 8.310 nan 0.000 0.532 112 Y N 2.136 122.038 120.300 -0.663 0.000 2.274 112 Y HA -0.046 4.554 4.550 0.084 0.000 0.290 112 Y C 1.688 177.360 175.900 -0.381 0.000 1.145 112 Y CA 0.968 58.728 58.100 -0.566 0.000 1.203 112 Y CB -0.299 38.037 38.460 -0.206 0.000 0.984 112 Y HN 0.229 nan 8.280 nan 0.000 0.533 113 L N -0.721 120.366 121.223 -0.227 0.000 2.291 113 L HA -0.190 4.201 4.340 0.085 0.000 0.214 113 L C 2.151 178.911 176.870 -0.183 0.000 1.120 113 L CA 0.965 55.696 54.840 -0.181 0.000 0.799 113 L CB -0.402 41.589 42.059 -0.113 0.000 0.925 113 L HN 0.253 nan 8.230 nan 0.000 0.446 114 Q N -1.083 118.572 119.800 -0.242 0.000 2.137 114 Q HA -0.135 4.256 4.340 0.085 0.000 0.198 114 Q C 2.060 177.871 176.000 -0.315 0.000 0.960 114 Q CA 1.079 56.744 55.803 -0.229 0.000 0.847 114 Q CB -0.010 28.654 28.738 -0.123 0.000 0.915 114 Q HN 0.436 nan 8.270 nan 0.000 0.448 115 Y N -0.174 119.955 120.300 -0.285 0.000 2.274 115 Y HA -0.046 4.555 4.550 0.084 0.000 0.290 115 Y C 2.349 178.105 175.900 -0.239 0.000 1.145 115 Y CA 1.093 59.047 58.100 -0.243 0.000 1.203 115 Y CB -0.990 37.386 38.460 -0.141 0.000 0.984 115 Y HN 0.124 nan 8.280 nan 0.000 0.533 116 G N -2.511 106.231 108.800 -0.097 0.000 2.939 116 G HA2 -0.021 3.990 3.960 0.085 0.000 0.210 116 G HA3 -0.021 3.990 3.960 0.085 0.000 0.210 116 G C -0.390 174.556 174.900 0.077 0.000 1.160 116 G CA 0.139 45.287 45.100 0.081 0.000 0.770 116 G HN 0.615 nan 8.290 nan 0.000 0.543 117 H N -1.419 117.659 119.070 0.013 0.000 2.756 117 H HA -0.134 4.473 4.556 0.085 0.000 0.315 117 H C -0.024 175.285 175.328 -0.032 0.000 1.210 117 H CA -0.094 55.953 56.048 -0.003 0.000 1.150 117 H CB -1.959 27.799 29.762 -0.007 0.000 1.463 117 H HN 0.294 nan 8.280 nan 0.000 0.427 118 I N 0.720 121.313 120.570 0.038 0.000 2.648 118 I HA 0.169 4.391 4.170 0.085 0.000 0.284 118 I C 1.237 177.392 176.117 0.063 0.000 1.153 118 I CA 0.827 62.160 61.300 0.055 0.000 1.426 118 I CB 0.546 38.623 38.000 0.128 0.000 1.381 118 I HN 0.511 nan 8.210 nan 0.000 0.571 119 A N 5.537 128.391 122.820 0.056 0.000 2.540 119 A HA 0.124 4.496 4.320 0.085 0.000 0.239 119 A C 1.059 178.675 177.584 0.053 0.000 1.061 119 A CA 0.066 52.134 52.037 0.052 0.000 0.758 119 A CB -0.297 18.726 19.000 0.038 0.000 0.991 119 A HN 0.907 nan 8.150 nan 0.000 0.502 120 N N -0.483 118.245 118.700 0.047 0.000 2.863 120 N HA -0.220 4.572 4.740 0.085 0.000 0.245 120 N C 0.549 176.081 175.510 0.037 0.000 1.001 120 N CA 1.185 54.259 53.050 0.041 0.000 0.901 120 N CB -1.503 37.008 38.487 0.039 0.000 1.124 120 N HN 0.771 nan 8.380 nan 0.000 0.582 121 I N 1.701 122.292 120.570 0.036 0.000 2.226 121 I HA -0.191 4.030 4.170 0.085 0.000 0.245 121 I C 1.692 177.815 176.117 0.010 0.000 1.100 121 I CA 1.852 63.163 61.300 0.018 0.000 1.374 121 I CB -0.140 37.859 38.000 -0.002 0.000 1.057 121 I HN 0.064 nan 8.210 nan 0.000 0.413 122 D N 0.617 121.029 120.400 0.019 0.000 2.104 122 D HA -0.193 4.499 4.640 0.085 0.000 0.194 122 D C 1.853 178.163 176.300 0.016 0.000 0.994 122 D CA 1.556 55.567 54.000 0.019 0.000 0.830 122 D CB -0.448 40.371 40.800 0.032 0.000 0.959 122 D HN 0.379 nan 8.370 nan 0.000 0.452 123 D N -0.006 120.406 120.400 0.020 0.000 2.144 123 D HA -0.060 4.631 4.640 0.085 0.000 0.199 123 D C 2.251 178.560 176.300 0.014 0.000 0.984 123 D CA 0.328 54.339 54.000 0.018 0.000 0.834 123 D CB -0.185 40.627 40.800 0.020 0.000 0.955 123 D HN 0.273 nan 8.370 nan 0.000 0.465 124 I N 0.364 120.942 120.570 0.014 0.000 2.252 124 I HA -0.191 4.030 4.170 0.085 0.000 0.245 124 I C 2.307 178.424 176.117 0.001 0.000 1.102 124 I CA 0.648 61.955 61.300 0.010 0.000 1.385 124 I CB -0.059 37.949 38.000 0.014 0.000 1.064 124 I HN -0.047 nan 8.210 nan 0.000 0.414 125 I N 0.805 121.373 120.570 -0.003 0.000 2.286 125 I HA -0.260 3.961 4.170 0.085 0.000 0.248 125 I C 2.567 178.681 176.117 -0.004 0.000 1.115 125 I CA 1.295 62.589 61.300 -0.010 0.000 1.392 125 I CB -0.353 37.638 38.000 -0.016 0.000 1.065 125 I HN 0.175 nan 8.210 nan 0.000 0.418 126 A N 0.077 122.898 122.820 0.002 0.000 2.167 126 A HA 0.194 4.565 4.320 0.085 0.000 0.214 126 A C 1.910 179.497 177.584 0.005 0.000 1.151 126 A CA 0.971 53.011 52.037 0.005 0.000 0.735 126 A CB -0.593 18.412 19.000 0.009 0.000 0.802 126 A HN 0.591 nan 8.150 nan 0.000 0.467 127 G N -0.763 108.040 108.800 0.005 0.000 2.157 127 G HA2 -0.278 3.733 3.960 0.085 0.000 0.248 127 G HA3 -0.278 3.733 3.960 0.085 0.000 0.248 127 G C 0.855 175.760 174.900 0.009 0.000 0.979 127 G CA 0.691 45.795 45.100 0.006 0.000 0.650 127 G HN 0.544 nan 8.290 nan 0.000 0.529 128 K N -0.373 120.033 120.400 0.010 0.000 2.305 128 K HA 0.146 4.518 4.320 0.085 0.000 0.199 128 K C 0.972 177.580 176.600 0.013 0.000 1.047 128 K CA 0.706 57.000 56.287 0.012 0.000 0.976 128 K CB 0.228 32.736 32.500 0.012 0.000 0.765 128 K HN 0.304 nan 8.250 nan 0.000 0.474 129 K N 0.865 121.274 120.400 0.015 0.000 2.469 129 K HA 0.302 4.673 4.320 0.085 0.000 0.254 129 K C -2.817 173.794 176.600 0.019 0.000 0.939 129 K CA -2.221 54.076 56.287 0.018 0.000 0.812 129 K CB 2.231 34.743 32.500 0.021 0.000 1.301 129 K HN -0.209 nan 8.250 nan 0.000 0.433 130 P HA 0.021 nan 4.420 nan 0.000 0.272 130 P C -0.012 177.305 177.300 0.027 0.000 1.230 130 P CA -0.038 63.076 63.100 0.023 0.000 0.788 130 P CB 0.784 32.500 31.700 0.026 0.000 0.949 131 A N 2.046 124.882 122.820 0.026 0.000 2.070 131 A HA -0.133 4.238 4.320 0.085 0.000 0.220 131 A C 1.825 179.439 177.584 0.050 0.000 1.159 131 A CA 2.056 54.111 52.037 0.030 0.000 0.656 131 A CB -1.834 17.173 19.000 0.012 0.000 0.800 131 A HN 0.672 nan 8.150 nan 0.000 0.453 132 T N -2.814 111.772 114.554 0.054 0.000 3.098 132 T HA -0.070 4.332 4.350 0.085 0.000 0.266 132 T C 0.746 175.483 174.700 0.062 0.000 1.145 132 T CA 1.411 63.550 62.100 0.066 0.000 1.092 132 T CB -0.356 68.549 68.868 0.062 0.000 0.908 132 T HN 0.351 nan 8.240 nan 0.000 0.526 133 D N 0.273 120.705 120.400 0.053 0.000 2.340 133 D HA 0.235 4.926 4.640 0.085 0.000 0.220 133 D C 0.388 176.721 176.300 0.056 0.000 1.039 133 D CA -0.212 53.817 54.000 0.048 0.000 0.866 133 D CB -0.215 40.608 40.800 0.038 0.000 0.913 133 D HN 0.313 nan 8.370 nan 0.000 0.523 134 L N 0.614 121.880 121.223 0.073 0.000 2.514 134 L HA 0.218 4.610 4.340 0.085 0.000 0.280 134 L C 1.295 178.220 176.870 0.092 0.000 1.223 134 L CA 0.222 55.118 54.840 0.093 0.000 0.864 134 L CB 0.691 42.829 42.059 0.132 0.000 1.118 134 L HN 0.045 nan 8.230 nan 0.000 0.494 135 G N 5.367 114.219 108.800 0.086 0.000 3.263 135 G HA2 0.384 4.395 3.960 0.085 0.000 0.246 135 G HA3 0.384 4.395 3.960 0.085 0.000 0.246 135 G C -0.378 174.546 174.900 0.040 0.000 0.982 135 G CA 0.422 45.557 45.100 0.058 0.000 1.897 135 G HN 0.741 nan 8.290 nan 0.000 0.624 136 V N -2.133 117.801 119.914 0.033 0.000 2.876 136 V HA 0.975 5.146 4.120 0.085 0.000 0.312 136 V C -0.689 175.368 176.094 -0.062 0.000 1.085 136 V CA -1.467 60.778 62.300 -0.091 0.000 0.945 136 V CB 2.077 33.904 31.823 0.007 0.000 1.017 136 V HN 0.521 nan 8.190 nan 0.000 0.428 137 K N 2.498 122.799 120.400 -0.166 0.000 2.551 137 K HA 0.885 5.256 4.320 0.085 0.000 0.269 137 K C -1.079 175.522 176.600 0.002 0.000 0.949 137 K CA -0.515 55.761 56.287 -0.018 0.000 0.849 137 K CB 2.348 34.845 32.500 -0.005 0.000 1.411 137 K HN 1.344 nan 8.250 nan 0.000 0.432 138 A N 3.029 125.905 122.820 0.093 0.000 2.260 138 A HA 0.395 4.766 4.320 0.085 0.000 0.312 138 A C 0.626 178.227 177.584 0.030 0.000 1.321 138 A CA -0.952 51.111 52.037 0.043 0.000 0.928 138 A CB -0.136 18.783 19.000 -0.136 0.000 1.158 138 A HN 0.790 nan 8.150 nan 0.000 0.542 139 L N 0.982 122.212 121.223 0.012 0.000 2.240 139 L HA 0.096 4.487 4.340 0.085 0.000 0.211 139 L C 0.514 177.406 176.870 0.038 0.000 1.106 139 L CA 0.989 55.844 54.840 0.025 0.000 0.793 139 L CB -0.466 41.602 42.059 0.015 0.000 0.927 139 L HN 0.932 nan 8.230 nan 0.000 0.446 140 D N -4.635 115.771 120.400 0.010 0.000 2.851 140 D HA 0.054 4.745 4.640 0.085 0.000 0.339 140 D C -0.034 176.191 176.300 -0.125 0.000 1.347 140 D CA -0.625 53.380 54.000 0.007 0.000 0.888 140 D CB 0.168 40.989 40.800 0.035 0.000 1.431 140 D HN -0.345 nan 8.370 nan 0.000 0.509 141 D N -1.483 118.814 120.400 -0.172 0.000 2.218 141 D HA -0.093 4.598 4.640 0.085 0.000 0.204 141 D C 0.552 176.567 176.300 -0.475 0.000 0.976 141 D CA 1.252 55.033 54.000 -0.365 0.000 0.853 141 D CB -0.059 40.470 40.800 -0.452 0.000 0.939 141 D HN 0.391 nan 8.370 nan 0.000 0.481 142 H N -1.303 117.782 119.070 0.025 0.000 2.581 142 H HA 0.297 4.905 4.556 0.086 0.000 0.275 142 H C -0.173 175.187 175.328 0.053 0.000 1.126 142 H CA 0.103 56.174 56.048 0.039 0.000 1.097 142 H CB 0.433 30.228 29.762 0.056 0.000 1.626 142 H HN -0.128 nan 8.280 nan 0.000 0.565 143 T N 1.501 116.112 114.554 0.095 0.000 2.965 143 T HA 0.207 4.608 4.350 0.085 0.000 0.306 143 T C -1.107 173.647 174.700 0.091 0.000 0.991 143 T CA -0.514 61.632 62.100 0.076 0.000 1.001 143 T CB 1.161 70.069 68.868 0.066 0.000 0.984 143 T HN 0.044 nan 8.240 nan 0.000 0.446 144 F N 3.085 122.995 119.950 -0.066 0.000 2.411 144 F HA 0.551 5.129 4.527 0.085 0.000 0.352 144 F C 0.111 175.936 175.800 0.040 0.000 1.123 144 F CA -1.186 56.773 58.000 -0.069 0.000 1.044 144 F CB 0.987 39.867 39.000 -0.200 0.000 1.135 144 F HN 0.501 nan 8.300 nan 0.000 0.461 145 E N 5.730 125.697 120.200 -0.388 0.000 2.158 145 E HA 0.543 4.944 4.350 0.085 0.000 0.271 145 E C -1.785 174.559 176.600 -0.427 0.000 0.911 145 E CA -0.689 55.539 56.400 -0.287 0.000 0.767 145 E CB 1.724 31.332 29.700 -0.153 0.000 1.120 145 E HN 0.499 nan 8.360 nan 0.000 0.405 146 V N 3.649 123.455 119.914 -0.181 0.000 2.459 146 V HA 0.362 4.534 4.120 0.085 0.000 0.295 146 V C -0.166 175.946 176.094 0.030 0.000 1.029 146 V CA -0.623 61.631 62.300 -0.077 0.000 0.874 146 V CB 1.907 33.841 31.823 0.185 0.000 0.985 146 V HN 0.712 nan 8.190 nan 0.000 0.438 147 T N 6.437 120.992 114.554 0.002 0.000 2.770 147 T HA 0.648 5.050 4.350 0.085 0.000 0.283 147 T C -0.305 174.396 174.700 0.002 0.000 0.988 147 T CA -0.293 61.812 62.100 0.009 0.000 0.957 147 T CB 0.814 69.680 68.868 -0.004 0.000 0.930 147 T HN 0.353 nan 8.240 nan 0.000 0.443 148 L N 2.002 123.222 121.223 -0.005 0.000 2.352 148 L HA 0.460 4.852 4.340 0.085 0.000 0.269 148 L C 1.583 178.463 176.870 0.017 0.000 1.034 148 L CA -0.855 53.975 54.840 -0.016 0.000 0.806 148 L CB 1.368 43.390 42.059 -0.063 0.000 1.244 148 L HN 0.727 nan 8.230 nan 0.000 0.447 149 S N -0.914 114.810 115.700 0.039 0.000 2.562 149 S HA 0.063 4.584 4.470 0.085 0.000 0.221 149 S C 0.193 174.791 174.600 -0.002 0.000 0.975 149 S CA -0.117 58.101 58.200 0.029 0.000 0.918 149 S CB -0.335 62.899 63.200 0.057 0.000 0.772 149 S HN 0.786 nan 8.310 nan 0.000 0.531 150 E N -0.473 119.713 120.200 -0.023 0.000 2.416 150 E HA 0.448 4.849 4.350 0.085 0.000 0.280 150 E C -3.548 173.045 176.600 -0.012 0.000 1.055 150 E CA -2.608 53.764 56.400 -0.047 0.000 0.825 150 E CB 0.337 29.961 29.700 -0.127 0.000 1.312 150 E HN -0.058 nan 8.360 nan 0.000 0.452 151 P HA 0.116 nan 4.420 nan 0.000 0.271 151 P C -0.671 176.657 177.300 0.048 0.000 1.226 151 P CA -0.270 62.909 63.100 0.132 0.000 0.765 151 P CB 0.652 32.468 31.700 0.193 0.000 0.835 152 V N 6.882 126.857 119.914 0.102 0.000 2.380 152 V HA 0.169 4.341 4.120 0.085 0.000 0.272 152 V C -1.615 174.442 176.094 -0.062 0.000 1.011 152 V CA -1.316 60.897 62.300 -0.146 0.000 0.826 152 V CB 1.582 33.281 31.823 -0.205 0.000 1.040 152 V HN 0.391 nan 8.190 nan 0.000 0.441 153 P HA -0.140 nan 4.420 nan 0.000 0.218 153 P C 1.005 178.400 177.300 0.158 0.000 1.148 153 P CA 1.353 64.266 63.100 -0.311 0.000 0.822 153 P CB -0.022 31.324 31.700 -0.590 0.000 0.784 154 Y N -4.410 115.955 120.300 0.109 0.000 2.470 154 Y HA 0.330 4.930 4.550 0.084 0.000 0.284 154 Y C 1.791 177.560 175.900 -0.217 0.000 1.188 154 Y CA -1.112 56.967 58.100 -0.036 0.000 1.269 154 Y CB -1.499 36.935 38.460 -0.043 0.000 1.094 154 Y HN -0.221 nan 8.280 nan 0.000 0.518 155 F N 2.470 122.165 119.950 -0.425 0.000 2.087 155 F HA -0.308 4.272 4.527 0.089 0.000 0.299 155 F C 2.373 177.832 175.800 -0.568 0.000 1.100 155 F CA 1.861 59.502 58.000 -0.598 0.000 1.226 155 F CB -0.873 37.591 39.000 -0.894 0.000 0.983 155 F HN 0.325 nan 8.300 nan 0.000 0.479 156 Y N -0.114 119.779 120.300 -0.678 0.000 2.333 156 Y HA -0.075 4.523 4.550 0.080 0.000 0.290 156 Y C 2.036 177.743 175.900 -0.322 0.000 1.144 156 Y CA 1.341 59.122 58.100 -0.532 0.000 1.228 156 Y CB -1.410 36.935 38.460 -0.192 0.000 0.985 156 Y HN 0.028 nan 8.280 nan 0.000 0.542 157 K N 0.211 120.037 120.400 -0.956 0.000 2.209 157 K HA -0.100 4.271 4.320 0.085 0.000 0.204 157 K C 1.654 178.077 176.600 -0.295 0.000 1.048 157 K CA 1.409 57.387 56.287 -0.515 0.000 0.940 157 K CB -0.249 32.020 32.500 -0.386 0.000 0.729 157 K HN 0.281 nan 8.250 nan 0.000 0.451 158 L N 0.681 121.601 121.223 -0.505 0.000 2.201 158 L HA -0.111 4.281 4.340 0.085 0.000 0.212 158 L C 1.695 178.505 176.870 -0.101 0.000 1.105 158 L CA 1.323 55.927 54.840 -0.395 0.000 0.775 158 L CB -0.318 41.298 42.059 -0.739 0.000 0.913 158 L HN 0.141 nan 8.230 nan 0.000 0.440 159 L N -1.365 119.718 121.223 -0.234 0.000 2.622 159 L HA -0.064 4.328 4.340 0.085 0.000 0.233 159 L C 1.651 178.532 176.870 0.019 0.000 1.156 159 L CA -0.050 54.715 54.840 -0.125 0.000 0.866 159 L CB -0.453 41.440 42.059 -0.277 0.000 0.980 159 L HN 0.092 nan 8.230 nan 0.000 0.448 160 V N -2.362 117.596 119.914 0.073 0.000 3.541 160 V HA -0.040 4.131 4.120 0.085 0.000 0.267 160 V C 1.264 177.424 176.094 0.110 0.000 1.213 160 V CA 0.120 62.497 62.300 0.128 0.000 1.149 160 V CB -0.937 30.986 31.823 0.167 0.000 0.822 160 V HN 0.398 nan 8.190 nan 0.000 0.462 161 H N 1.851 120.904 119.070 -0.029 0.000 2.732 161 H HA 0.104 4.710 4.556 0.084 0.000 0.351 161 H C -1.646 173.551 175.328 -0.218 0.000 1.090 161 H CA -1.464 54.465 56.048 -0.199 0.000 1.431 161 H CB 2.124 31.619 29.762 -0.445 0.000 1.447 161 H HN 0.024 nan 8.280 nan 0.000 0.582 162 P HA -0.175 nan 4.420 nan 0.000 0.218 162 P C 1.569 178.683 177.300 -0.311 0.000 1.148 162 P CA 1.741 64.577 63.100 -0.441 0.000 0.822 162 P CB 0.075 31.485 31.700 -0.484 0.000 0.784 163 S N -0.607 114.874 115.700 -0.365 0.000 2.419 163 S HA -0.107 4.414 4.470 0.085 0.000 0.233 163 S C 1.522 176.094 174.600 -0.046 0.000 1.016 163 S CA 1.470 59.588 58.200 -0.136 0.000 0.974 163 S CB -1.610 61.453 63.200 -0.227 0.000 0.786 163 S HN 0.150 nan 8.310 nan 0.000 0.492 164 V N -0.842 119.031 119.914 -0.069 0.000 3.249 164 V HA 0.447 4.619 4.120 0.085 0.000 0.338 164 V C 0.299 176.606 176.094 0.354 0.000 1.363 164 V CA -0.669 61.635 62.300 0.007 0.000 1.205 164 V CB -0.728 30.977 31.823 -0.197 0.000 1.164 164 V HN 0.275 nan 8.190 nan 0.000 0.458 165 S N 3.224 119.030 115.700 0.177 0.000 2.617 165 S HA 0.508 5.029 4.470 0.085 0.000 0.269 165 S C -2.287 172.326 174.600 0.021 0.000 1.292 165 S CA -0.614 57.674 58.200 0.148 0.000 1.010 165 S CB 1.162 64.413 63.200 0.084 0.000 0.944 165 S HN 0.484 nan 8.310 nan 0.000 0.536 166 P HA 0.308 nan 4.420 nan 0.000 0.278 166 P C -0.944 176.402 177.300 0.076 0.000 1.238 166 P CA -0.419 62.540 63.100 -0.236 0.000 0.794 166 P CB 0.685 32.032 31.700 -0.588 0.000 0.955 167 V N -1.260 118.702 119.914 0.079 0.000 2.823 167 V HA 0.631 4.802 4.120 0.085 0.000 0.312 167 V C -2.672 173.363 176.094 -0.099 0.000 1.072 167 V CA -3.063 59.205 62.300 -0.054 0.000 0.937 167 V CB 1.722 33.313 31.823 -0.387 0.000 1.013 167 V HN 0.341 nan 8.190 nan 0.000 0.430 168 P HA 0.252 nan 4.420 nan 0.000 0.277 168 P C 0.340 177.302 177.300 -0.563 0.000 1.354 168 P CA -0.177 62.478 63.100 -0.741 0.000 0.891 168 P CB 1.295 32.474 31.700 -0.868 0.000 1.058 169 K N 3.311 123.387 120.400 -0.540 0.000 2.059 169 K HA -0.215 4.157 4.320 0.085 0.000 0.212 169 K C 1.944 178.258 176.600 -0.477 0.000 1.050 169 K CA 2.446 58.297 56.287 -0.726 0.000 0.927 169 K CB -0.272 31.606 32.500 -1.036 0.000 0.714 169 K HN 0.439 nan 8.250 nan 0.000 0.447 170 S N -0.060 115.408 115.700 -0.386 0.000 2.382 170 S HA -0.125 4.396 4.470 0.085 0.000 0.228 170 S C 2.126 176.610 174.600 -0.194 0.000 1.027 170 S CA 1.038 59.079 58.200 -0.265 0.000 0.991 170 S CB -0.319 62.752 63.200 -0.217 0.000 0.823 170 S HN 0.417 nan 8.310 nan 0.000 0.469 171 A N 1.303 124.029 122.820 -0.157 0.000 1.898 171 A HA 0.207 4.579 4.320 0.085 0.000 0.214 171 A C 2.402 180.022 177.584 0.059 0.000 1.183 171 A CA 1.212 53.308 52.037 0.098 0.000 0.622 171 A CB -0.975 18.143 19.000 0.197 0.000 0.824 171 A HN 0.433 nan 8.150 nan 0.000 0.444 172 V N 0.232 119.968 119.914 -0.296 0.000 2.287 172 V HA -0.285 3.886 4.120 0.085 0.000 0.248 172 V C 2.434 178.474 176.094 -0.090 0.000 1.053 172 V CA 2.399 64.490 62.300 -0.349 0.000 1.027 172 V CB -0.795 30.745 31.823 -0.473 0.000 0.646 172 V HN 0.629 nan 8.190 nan 0.000 0.447 173 E N -0.310 119.809 120.200 -0.136 0.000 2.106 173 E HA -0.240 4.161 4.350 0.085 0.000 0.192 173 E C 2.271 178.791 176.600 -0.134 0.000 0.984 173 E CA 1.291 57.627 56.400 -0.106 0.000 0.806 173 E CB -0.069 29.546 29.700 -0.141 0.000 0.750 173 E HN 0.543 nan 8.360 nan 0.000 0.458 174 K N -0.044 120.215 120.400 -0.236 0.000 2.116 174 K HA -0.072 4.300 4.320 0.085 0.000 0.203 174 K C 1.103 177.403 176.600 -0.500 0.000 1.052 174 K CA 1.069 57.083 56.287 -0.456 0.000 0.952 174 K CB 0.120 32.175 32.500 -0.743 0.000 0.729 174 K HN 0.013 nan 8.250 nan 0.000 0.446 175 F N 0.185 120.176 119.950 0.069 0.000 2.678 175 F HA 0.342 4.921 4.527 0.085 0.000 0.305 175 F C 1.399 177.285 175.800 0.143 0.000 1.090 175 F CA 0.170 58.237 58.000 0.111 0.000 1.272 175 F CB 0.404 39.498 39.000 0.156 0.000 1.060 175 F HN 0.277 nan 8.300 nan 0.000 0.576 176 G N 2.003 110.962 108.800 0.266 0.000 2.611 176 G HA2 -0.477 3.534 3.960 0.085 0.000 0.301 176 G HA3 -0.477 3.534 3.960 0.085 0.000 0.301 176 G C 0.695 175.812 174.900 0.363 0.000 1.233 176 G CA 0.869 46.115 45.100 0.243 0.000 0.993 176 G HN 0.440 nan 8.290 nan 0.000 0.553 177 D N 0.354 120.906 120.400 0.253 0.000 2.378 177 D HA 0.127 4.818 4.640 0.085 0.000 0.227 177 D C 1.606 177.993 176.300 0.144 0.000 1.012 177 D CA 1.198 55.324 54.000 0.211 0.000 0.905 177 D CB 0.175 41.048 40.800 0.121 0.000 0.895 177 D HN 0.314 nan 8.370 nan 0.000 0.532 178 K N 0.395 120.908 120.400 0.188 0.000 2.372 178 K HA 0.060 4.432 4.320 0.085 0.000 0.200 178 K C 1.178 177.846 176.600 0.114 0.000 1.022 178 K CA -0.258 56.087 56.287 0.097 0.000 1.125 178 K CB -0.373 32.183 32.500 0.093 0.000 0.855 178 K HN 0.536 nan 8.250 nan 0.000 0.524 179 W N 1.817 123.194 121.300 0.129 0.000 2.421 179 W HA -0.147 4.564 4.660 0.084 0.000 0.270 179 W C 0.768 177.335 176.519 0.081 0.000 1.233 179 W CA 1.507 58.927 57.345 0.126 0.000 1.226 179 W CB -0.997 28.576 29.460 0.187 0.000 1.121 179 W HN -0.001 nan 8.180 nan 0.000 0.579 180 T N -0.816 113.435 114.554 -0.505 0.000 3.129 180 T HA 0.023 4.424 4.350 0.085 0.000 0.251 180 T C 0.858 175.521 174.700 -0.061 0.000 1.117 180 T CA 0.039 61.860 62.100 -0.465 0.000 1.034 180 T CB -0.151 68.384 68.868 -0.555 0.000 0.968 180 T HN -0.062 nan 8.240 nan 0.000 0.526 181 Q N 1.870 121.638 119.800 -0.053 0.000 2.392 181 Q HA 0.198 4.590 4.340 0.085 0.000 0.262 181 Q C -1.623 174.373 176.000 -0.007 0.000 1.003 181 Q CA -2.123 53.672 55.803 -0.013 0.000 0.888 181 Q CB 1.088 29.768 28.738 -0.097 0.000 1.260 181 Q HN 0.129 nan 8.270 nan 0.000 0.435 182 P HA -0.206 nan 4.420 nan 0.000 0.216 182 P C 0.635 177.927 177.300 -0.012 0.000 1.154 182 P CA 2.154 65.273 63.100 0.031 0.000 0.865 182 P CB 0.164 31.895 31.700 0.052 0.000 0.789 183 A N -1.345 121.441 122.820 -0.056 0.000 2.119 183 A HA -0.101 4.270 4.320 0.085 0.000 0.217 183 A C 1.853 179.345 177.584 -0.152 0.000 1.153 183 A CA 1.332 53.320 52.037 -0.081 0.000 0.692 183 A CB -0.729 18.217 19.000 -0.089 0.000 0.799 183 A HN 0.160 nan 8.150 nan 0.000 0.458 184 N N -1.132 117.431 118.700 -0.228 0.000 2.397 184 N HA 0.181 4.973 4.740 0.085 0.000 0.190 184 N C 0.456 175.956 175.510 -0.016 0.000 1.099 184 N CA -0.178 52.659 53.050 -0.355 0.000 0.876 184 N CB 0.206 38.179 38.487 -0.856 0.000 1.143 184 N HN 0.498 nan 8.380 nan 0.000 0.468 185 I N 1.894 122.500 120.570 0.060 0.000 2.754 185 I HA -0.003 4.218 4.170 0.085 0.000 0.285 185 I C -0.702 175.541 176.117 0.210 0.000 1.166 185 I CA 0.062 61.492 61.300 0.216 0.000 1.417 185 I CB 0.669 38.742 38.000 0.122 0.000 1.382 185 I HN -0.299 nan 8.210 nan 0.000 0.588 186 V N 5.667 125.767 119.914 0.310 0.000 2.577 186 V HA 0.452 4.623 4.120 0.085 0.000 0.303 186 V C -0.173 176.177 176.094 0.426 0.000 1.042 186 V CA -0.505 61.946 62.300 0.250 0.000 0.872 186 V CB 1.791 33.654 31.823 0.068 0.000 0.998 186 V HN 0.877 nan 8.190 nan 0.000 0.423 187 T N -0.041 114.733 114.554 0.367 0.000 2.916 187 T HA 0.499 4.900 4.350 0.085 0.000 0.292 187 T C 0.146 175.006 174.700 0.267 0.000 1.064 187 T CA -0.625 61.598 62.100 0.205 0.000 1.011 187 T CB 2.192 70.884 68.868 -0.293 0.000 1.152 187 T HN 0.642 nan 8.240 nan 0.000 0.510 188 N N -0.543 118.159 118.700 0.003 0.000 2.160 188 N HA 0.215 5.006 4.740 0.085 0.000 0.226 188 N C 0.620 176.101 175.510 -0.048 0.000 1.256 188 N CA -0.316 52.662 53.050 -0.120 0.000 0.890 188 N CB 0.377 38.497 38.487 -0.611 0.000 1.116 188 N HN 0.818 nan 8.380 nan 0.000 0.517 189 G N 0.099 108.800 108.800 -0.164 0.000 2.510 189 G HA2 0.504 4.515 3.960 0.085 0.000 0.280 189 G HA3 0.504 4.515 3.960 0.085 0.000 0.280 189 G C 0.837 175.314 174.900 -0.704 0.000 1.386 189 G CA 0.030 44.931 45.100 -0.333 0.000 1.047 189 G HN 0.215 nan 8.290 nan 0.000 0.527 190 A N -1.749 120.481 122.820 -0.984 0.000 2.067 190 A HA 0.278 4.649 4.320 0.085 0.000 0.219 190 A C 0.403 177.482 177.584 -0.841 0.000 1.158 190 A CA 0.880 52.261 52.037 -1.094 0.000 0.661 190 A CB -0.324 18.138 19.000 -0.896 0.000 0.801 190 A HN 0.451 nan 8.150 nan 0.000 0.452 191 Y N -0.897 119.260 120.300 -0.237 0.000 2.598 191 Y HA 0.569 5.168 4.550 0.081 0.000 0.340 191 Y C 0.201 176.021 175.900 -0.132 0.000 1.038 191 Y CA -0.951 57.068 58.100 -0.135 0.000 1.100 191 Y CB 1.565 39.965 38.460 -0.099 0.000 1.281 191 Y HN -0.035 nan 8.280 nan 0.000 0.488 192 K N 1.156 121.600 120.400 0.074 0.000 2.340 192 K HA 0.541 4.912 4.320 0.085 0.000 0.244 192 K C -1.751 174.862 176.600 0.022 0.000 0.973 192 K CA -1.229 55.068 56.287 0.017 0.000 0.828 192 K CB 2.469 34.987 32.500 0.031 0.000 1.226 192 K HN 0.397 nan 8.250 nan 0.000 0.437 193 L N 2.369 123.587 121.223 -0.008 0.000 2.313 193 L HA 0.165 4.556 4.340 0.085 0.000 0.282 193 L C 0.959 177.844 176.870 0.026 0.000 1.092 193 L CA 0.615 55.450 54.840 -0.008 0.000 0.831 193 L CB 0.615 42.658 42.059 -0.027 0.000 1.159 193 L HN 0.706 nan 8.230 nan 0.000 0.442 194 K N 3.345 123.766 120.400 0.034 0.000 2.121 194 K HA 0.217 4.588 4.320 0.085 0.000 0.203 194 K C -0.101 176.532 176.600 0.055 0.000 1.041 194 K CA 0.331 56.643 56.287 0.042 0.000 0.969 194 K CB 0.409 32.933 32.500 0.040 0.000 0.799 194 K HN 0.725 nan 8.250 nan 0.000 0.456 195 N N -0.835 117.907 118.700 0.070 0.000 2.277 195 N HA 0.126 4.917 4.740 0.085 0.000 0.286 195 N C -2.058 173.568 175.510 0.195 0.000 1.140 195 N CA -0.486 52.627 53.050 0.105 0.000 0.799 195 N CB 1.691 40.225 38.487 0.079 0.000 1.596 195 N HN 0.090 nan 8.380 nan 0.000 0.473 196 W N 2.434 123.720 121.300 -0.023 0.000 2.740 196 W HA 0.421 5.134 4.660 0.089 0.000 0.316 196 W C -2.038 174.466 176.519 -0.025 0.000 1.020 196 W CA -0.616 56.713 57.345 -0.027 0.000 1.278 196 W CB 0.331 29.765 29.460 -0.043 0.000 1.224 196 W HN 0.098 nan 8.180 nan 0.000 0.393 197 V N 6.798 126.887 119.914 0.291 0.000 2.313 197 V HA 0.240 4.411 4.120 0.085 0.000 0.278 197 V C 0.358 176.510 176.094 0.097 0.000 1.017 197 V CA -1.006 61.338 62.300 0.074 0.000 0.823 197 V CB 1.062 32.921 31.823 0.060 0.000 1.010 197 V HN 0.197 nan 8.190 nan 0.000 0.443 198 V N 5.734 125.593 119.914 -0.092 0.000 2.557 198 V HA 0.016 4.187 4.120 0.085 0.000 0.301 198 V C 1.237 177.357 176.094 0.042 0.000 1.026 198 V CA 0.938 63.232 62.300 -0.010 0.000 1.137 198 V CB -0.621 31.119 31.823 -0.140 0.000 0.917 198 V HN 1.153 nan 8.190 nan 0.000 0.484 199 N N 1.743 120.499 118.700 0.092 0.000 2.850 199 N HA -0.200 4.591 4.740 0.085 0.000 0.249 199 N C 1.091 176.632 175.510 0.052 0.000 1.060 199 N CA 1.051 54.139 53.050 0.062 0.000 0.825 199 N CB -0.418 38.090 38.487 0.035 0.000 1.132 199 N HN 0.910 nan 8.380 nan 0.000 0.564 200 E N 0.482 120.725 120.200 0.072 0.000 3.100 200 E HA 0.151 4.552 4.350 0.085 0.000 0.191 200 E C 0.014 176.654 176.600 0.067 0.000 1.097 200 E CA 0.259 56.693 56.400 0.056 0.000 1.339 200 E CB 0.923 30.651 29.700 0.047 0.000 1.330 200 E HN 0.373 nan 8.360 nan 0.000 0.511 201 R N -0.036 120.527 120.500 0.106 0.000 2.709 201 R HA 0.471 4.863 4.340 0.085 0.000 0.270 201 R C -1.620 174.762 176.300 0.137 0.000 1.038 201 R CA -0.664 55.493 56.100 0.094 0.000 0.872 201 R CB 0.547 30.880 30.300 0.055 0.000 1.259 201 R HN -0.007 nan 8.270 nan 0.000 0.473 202 I N 2.017 122.628 120.570 0.068 0.000 2.418 202 I HA 0.385 4.606 4.170 0.085 0.000 0.287 202 I C -0.815 175.316 176.117 0.023 0.000 1.008 202 I CA -1.198 60.100 61.300 -0.003 0.000 1.104 202 I CB 2.303 40.187 38.000 -0.193 0.000 1.264 202 I HN 0.314 nan 8.210 nan 0.000 0.438 203 V N 7.340 127.268 119.914 0.023 0.000 2.448 203 V HA 0.495 4.666 4.120 0.085 0.000 0.295 203 V C -0.061 176.037 176.094 0.007 0.000 1.025 203 V CA -0.543 61.764 62.300 0.012 0.000 0.859 203 V CB 1.745 33.580 31.823 0.019 0.000 0.988 203 V HN 0.471 nan 8.190 nan 0.000 0.431 204 L N 4.770 125.989 121.223 -0.007 0.000 2.330 204 L HA 0.769 5.160 4.340 0.085 0.000 0.271 204 L C -0.034 176.881 176.870 0.076 0.000 1.013 204 L CA -0.588 54.261 54.840 0.016 0.000 0.816 204 L CB 1.952 43.994 42.059 -0.028 0.000 1.287 204 L HN 0.800 nan 8.230 nan 0.000 0.435 205 E N 1.475 121.770 120.200 0.159 0.000 2.312 205 E HA 0.415 4.816 4.350 0.085 0.000 0.267 205 E C -0.904 175.842 176.600 0.244 0.000 0.894 205 E CA -1.129 55.386 56.400 0.191 0.000 0.773 205 E CB 2.150 31.907 29.700 0.095 0.000 1.241 205 E HN 0.461 nan 8.360 nan 0.000 0.432 206 R N 1.601 122.198 120.500 0.162 0.000 2.566 206 R HA -0.081 4.310 4.340 0.085 0.000 0.273 206 R C -0.646 175.598 176.300 -0.092 0.000 0.981 206 R CA 0.155 56.191 56.100 -0.108 0.000 1.091 206 R CB 0.246 30.502 30.300 -0.074 0.000 0.924 206 R HN 0.589 nan 8.270 nan 0.000 0.411 207 N N 5.744 124.336 118.700 -0.181 0.000 2.485 207 N HA 0.198 4.990 4.740 0.085 0.000 0.243 207 N C -2.030 173.464 175.510 -0.026 0.000 0.987 207 N CA -2.408 50.600 53.050 -0.070 0.000 0.940 207 N CB 1.531 39.970 38.487 -0.080 0.000 1.122 207 N HN 0.374 nan 8.380 nan 0.000 0.509 208 P HA -0.092 nan 4.420 nan 0.000 0.225 208 P C 0.520 177.847 177.300 0.044 0.000 1.148 208 P CA 1.040 64.151 63.100 0.017 0.000 0.779 208 P CB 0.474 32.187 31.700 0.021 0.000 0.780 209 Q N -1.796 118.048 119.800 0.073 0.000 2.424 209 Q HA -0.017 4.374 4.340 0.085 0.000 0.204 209 Q C 0.514 176.593 176.000 0.132 0.000 0.933 209 Q CA -0.100 55.764 55.803 0.100 0.000 0.929 209 Q CB -0.657 28.156 28.738 0.126 0.000 1.037 209 Q HN 0.338 nan 8.270 nan 0.000 0.511 210 Y N 2.485 122.764 120.300 -0.036 0.000 2.717 210 Y HA -0.175 4.424 4.550 0.081 0.000 0.330 210 Y C 1.357 177.221 175.900 -0.060 0.000 1.217 210 Y CA -0.560 57.491 58.100 -0.081 0.000 1.506 210 Y CB 0.317 38.648 38.460 -0.213 0.000 1.268 210 Y HN 0.243 nan 8.280 nan 0.000 0.561 211 W N 4.153 125.149 121.300 -0.506 0.000 2.350 211 W HA -0.193 4.516 4.660 0.081 0.000 0.289 211 W C 0.160 176.372 176.519 -0.512 0.000 1.215 211 W CA 1.381 58.461 57.345 -0.441 0.000 1.236 211 W CB -0.313 28.939 29.460 -0.347 0.000 1.130 211 W HN 0.534 nan 8.180 nan 0.000 0.541 212 D N 0.642 119.987 120.400 -1.759 0.000 2.463 212 D HA -0.013 4.679 4.640 0.085 0.000 0.224 212 D C 1.430 177.418 176.300 -0.520 0.000 1.174 212 D CA 0.016 53.297 54.000 -1.198 0.000 0.829 212 D CB -0.627 39.117 40.800 -1.761 0.000 0.993 212 D HN 0.033 nan 8.370 nan 0.000 0.497 213 N N 0.360 118.874 118.700 -0.309 0.000 2.192 213 N HA -0.196 4.595 4.740 0.085 0.000 0.188 213 N C 1.682 177.147 175.510 -0.075 0.000 1.013 213 N CA 1.591 54.596 53.050 -0.075 0.000 0.863 213 N CB 0.013 38.480 38.487 -0.034 0.000 0.990 213 N HN 0.149 nan 8.380 nan 0.000 0.430 214 A N 0.144 122.913 122.820 -0.084 0.000 2.024 214 A HA -0.130 4.241 4.320 0.085 0.000 0.220 214 A C 1.929 179.486 177.584 -0.046 0.000 1.164 214 A CA 1.379 53.386 52.037 -0.050 0.000 0.643 214 A CB -0.302 18.675 19.000 -0.037 0.000 0.806 214 A HN 0.410 nan 8.150 nan 0.000 0.451 215 K N -0.571 119.790 120.400 -0.065 0.000 2.393 215 K HA 0.065 4.437 4.320 0.085 0.000 0.193 215 K C -0.120 176.473 176.600 -0.013 0.000 1.026 215 K CA 0.159 56.422 56.287 -0.040 0.000 1.064 215 K CB 0.135 32.603 32.500 -0.053 0.000 0.833 215 K HN 0.296 nan 8.250 nan 0.000 0.521 216 T N 0.865 115.407 114.554 -0.020 0.000 2.901 216 T HA 0.059 4.460 4.350 0.085 0.000 0.301 216 T C 1.208 175.927 174.700 0.031 0.000 1.012 216 T CA -0.142 61.958 62.100 -0.001 0.000 1.135 216 T CB 1.722 70.539 68.868 -0.084 0.000 0.936 216 T HN -0.183 nan 8.240 nan 0.000 0.539 217 V N 2.650 122.617 119.914 0.089 0.000 2.996 217 V HA 0.176 4.348 4.120 0.085 0.000 0.235 217 V C 0.902 177.072 176.094 0.126 0.000 1.205 217 V CA 0.086 62.447 62.300 0.101 0.000 1.225 217 V CB 0.197 32.100 31.823 0.133 0.000 0.995 217 V HN 0.713 nan 8.190 nan 0.000 0.484 218 I N 2.842 123.519 120.570 0.179 0.000 2.598 218 I HA 0.055 4.277 4.170 0.085 0.000 0.284 218 I C 1.004 177.259 176.117 0.230 0.000 1.140 218 I CA 0.620 62.032 61.300 0.186 0.000 1.420 218 I CB 0.368 38.476 38.000 0.180 0.000 1.387 218 I HN 0.334 nan 8.210 nan 0.000 0.553 219 N N 4.507 123.301 118.700 0.156 0.000 2.415 219 N HA -0.014 4.777 4.740 0.085 0.000 0.176 219 N C 0.443 176.060 175.510 0.179 0.000 1.042 219 N CA 0.477 53.615 53.050 0.147 0.000 0.902 219 N CB 0.637 39.170 38.487 0.076 0.000 0.986 219 N HN 0.654 nan 8.380 nan 0.000 0.447 220 Q N 0.411 120.283 119.800 0.121 0.000 2.320 220 Q HA 0.407 4.798 4.340 0.085 0.000 0.272 220 Q C -2.170 173.792 176.000 -0.064 0.000 1.023 220 Q CA -0.428 55.404 55.803 0.048 0.000 0.855 220 Q CB 2.424 31.178 28.738 0.027 0.000 1.367 220 Q HN -0.112 nan 8.270 nan 0.000 0.406 221 V N 2.791 122.605 119.914 -0.166 0.000 2.709 221 V HA 0.698 4.869 4.120 0.085 0.000 0.308 221 V C -1.302 174.650 176.094 -0.236 0.000 1.062 221 V CA -0.048 62.089 62.300 -0.272 0.000 0.901 221 V CB 2.394 33.946 31.823 -0.451 0.000 1.003 221 V HN 0.895 nan 8.190 nan 0.000 0.425 222 T N 6.660 121.059 114.554 -0.258 0.000 2.797 222 T HA 0.596 4.998 4.350 0.085 0.000 0.279 222 T C -1.313 173.203 174.700 -0.307 0.000 0.991 222 T CA 0.041 62.034 62.100 -0.179 0.000 0.979 222 T CB 0.963 69.770 68.868 -0.101 0.000 0.943 222 T HN 0.552 nan 8.240 nan 0.000 0.444 223 Y N 2.443 122.678 120.300 -0.109 0.000 2.331 223 Y HA 0.559 5.159 4.550 0.083 0.000 0.338 223 Y C 0.117 175.964 175.900 -0.088 0.000 0.992 223 Y CA -0.925 57.107 58.100 -0.113 0.000 1.121 223 Y CB 0.956 39.323 38.460 -0.153 0.000 1.184 223 Y HN 0.396 nan 8.280 nan 0.000 0.469 224 L N 5.859 127.106 121.223 0.040 0.000 2.334 224 L HA 0.539 4.930 4.340 0.085 0.000 0.270 224 L C -2.004 174.854 176.870 -0.020 0.000 1.018 224 L CA -1.989 52.858 54.840 0.011 0.000 0.811 224 L CB 2.048 44.101 42.059 -0.009 0.000 1.271 224 L HN 0.419 nan 8.230 nan 0.000 0.443 225 P HA 0.265 nan 4.420 nan 0.000 0.263 225 P C -0.312 176.944 177.300 -0.074 0.000 1.821 225 P CA -0.082 62.982 63.100 -0.059 0.000 1.186 225 P CB 0.028 31.728 31.700 0.001 0.000 1.623 226 I N 1.224 121.745 120.570 -0.081 0.000 2.363 226 I HA 0.026 4.247 4.170 0.085 0.000 0.292 226 I C 1.675 177.736 176.117 -0.093 0.000 1.075 226 I CA 0.138 61.401 61.300 -0.062 0.000 1.333 226 I CB 0.823 38.803 38.000 -0.034 0.000 1.415 226 I HN 0.015 nan 8.210 nan 0.000 0.502 227 S N 2.362 118.022 115.700 -0.066 0.000 2.528 227 S HA -0.001 4.520 4.470 0.085 0.000 0.219 227 S C 0.941 175.522 174.600 -0.031 0.000 0.985 227 S CA -0.325 57.836 58.200 -0.065 0.000 0.914 227 S CB 0.125 63.306 63.200 -0.031 0.000 0.776 227 S HN 0.596 nan 8.310 nan 0.000 0.526 228 S N 1.066 116.754 115.700 -0.019 0.000 2.465 228 S HA 0.297 4.818 4.470 0.085 0.000 0.279 228 S C 0.610 175.202 174.600 -0.014 0.000 1.201 228 S CA -0.531 57.663 58.200 -0.010 0.000 1.053 228 S CB 0.918 64.117 63.200 -0.001 0.000 0.953 228 S HN 0.329 nan 8.310 nan 0.000 0.488 229 E N 3.462 123.650 120.200 -0.021 0.000 2.150 229 E HA -0.060 4.342 4.350 0.085 0.000 0.193 229 E C 1.864 178.455 176.600 -0.014 0.000 0.985 229 E CA 0.937 57.326 56.400 -0.019 0.000 0.814 229 E CB -0.157 29.519 29.700 -0.040 0.000 0.752 229 E HN 0.569 nan 8.360 nan 0.000 0.466 230 V N 0.614 120.521 119.914 -0.012 0.000 2.358 230 V HA -0.259 3.913 4.120 0.085 0.000 0.246 230 V C 2.090 178.186 176.094 0.004 0.000 1.047 230 V CA 2.173 64.470 62.300 -0.004 0.000 1.035 230 V CB -0.723 31.098 31.823 -0.004 0.000 0.658 230 V HN 0.337 nan 8.190 nan 0.000 0.452 231 T N -0.513 114.043 114.554 0.005 0.000 2.788 231 T HA -0.205 4.196 4.350 0.085 0.000 0.268 231 T C 1.771 176.483 174.700 0.019 0.000 1.044 231 T CA 1.672 63.778 62.100 0.011 0.000 1.139 231 T CB -0.370 68.502 68.868 0.007 0.000 0.867 231 T HN 0.534 nan 8.240 nan 0.000 0.454 232 D N 1.066 121.474 120.400 0.013 0.000 2.092 232 D HA -0.094 4.597 4.640 0.085 0.000 0.193 232 D C 2.153 178.479 176.300 0.042 0.000 0.994 232 D CA 0.868 54.882 54.000 0.024 0.000 0.828 232 D CB -0.477 40.331 40.800 0.013 0.000 0.963 232 D HN 0.188 nan 8.370 nan 0.000 0.450 233 V N 1.130 121.053 119.914 0.014 0.000 2.343 233 V HA -0.239 3.932 4.120 0.085 0.000 0.247 233 V C 2.257 178.400 176.094 0.083 0.000 1.051 233 V CA 1.773 64.084 62.300 0.018 0.000 1.036 233 V CB -0.666 31.145 31.823 -0.021 0.000 0.654 233 V HN 0.240 nan 8.190 nan 0.000 0.451 234 N N 0.455 119.188 118.700 0.055 0.000 2.104 234 N HA -0.155 4.637 4.740 0.085 0.000 0.190 234 N C 1.954 177.505 175.510 0.069 0.000 1.024 234 N CA 1.441 54.524 53.050 0.055 0.000 0.853 234 N CB -0.364 38.142 38.487 0.032 0.000 1.008 234 N HN 0.486 nan 8.380 nan 0.000 0.424 235 R N -0.713 119.830 120.500 0.071 0.000 2.193 235 R HA -0.050 4.342 4.340 0.085 0.000 0.213 235 R C 1.854 178.208 176.300 0.089 0.000 1.055 235 R CA 0.398 56.535 56.100 0.062 0.000 0.995 235 R CB -0.224 30.102 30.300 0.044 0.000 0.893 235 R HN 0.349 nan 8.270 nan 0.000 0.459 236 Y N 1.523 121.815 120.300 -0.013 0.000 2.133 236 Y HA -0.129 4.471 4.550 0.083 0.000 0.287 236 Y C 2.022 177.915 175.900 -0.011 0.000 1.134 236 Y CA 1.400 59.486 58.100 -0.022 0.000 1.133 236 Y CB 0.059 38.490 38.460 -0.049 0.000 0.987 236 Y HN -0.205 nan 8.280 nan 0.000 0.502 237 R N 0.005 120.609 120.500 0.174 0.000 2.189 237 R HA -0.094 4.298 4.340 0.085 0.000 0.223 237 R C 2.412 178.714 176.300 0.004 0.000 1.092 237 R CA 1.187 57.326 56.100 0.064 0.000 0.989 237 R CB -0.431 29.941 30.300 0.120 0.000 0.876 237 R HN 0.505 nan 8.270 nan 0.000 0.457 238 S N -1.003 114.706 115.700 0.014 0.000 2.489 238 S HA 0.052 4.574 4.470 0.085 0.000 0.228 238 S C 1.470 176.071 174.600 0.001 0.000 0.995 238 S CA 0.790 58.996 58.200 0.010 0.000 0.934 238 S CB 0.563 63.773 63.200 0.016 0.000 0.771 238 S HN 0.476 nan 8.310 nan 0.000 0.522 239 G N 0.728 109.517 108.800 -0.019 0.000 2.211 239 G HA2 -0.235 3.776 3.960 0.085 0.000 0.201 239 G HA3 -0.235 3.776 3.960 0.085 0.000 0.201 239 G C 0.581 175.488 174.900 0.011 0.000 0.997 239 G CA 0.387 45.491 45.100 0.005 0.000 0.652 239 G HN 0.500 nan 8.290 nan 0.000 0.500 240 E N -0.216 119.985 120.200 0.002 0.000 2.072 240 E HA 0.136 4.537 4.350 0.085 0.000 0.190 240 E C 0.882 177.488 176.600 0.010 0.000 0.982 240 E CA 0.392 56.797 56.400 0.008 0.000 0.803 240 E CB 0.009 29.714 29.700 0.009 0.000 0.755 240 E HN 0.596 nan 8.360 nan 0.000 0.453 241 I N 1.688 122.264 120.570 0.011 0.000 2.359 241 I HA 0.052 4.273 4.170 0.085 0.000 0.294 241 I C 0.378 176.496 176.117 0.003 0.000 0.987 241 I CA -0.506 60.813 61.300 0.032 0.000 1.225 241 I CB 1.531 39.588 38.000 0.096 0.000 1.366 241 I HN 0.002 nan 8.210 nan 0.000 0.466 242 D N 5.329 125.740 120.400 0.018 0.000 2.277 242 D HA 0.151 4.842 4.640 0.085 0.000 0.209 242 D C 0.225 176.549 176.300 0.041 0.000 0.970 242 D CA 1.276 55.268 54.000 -0.012 0.000 0.874 242 D CB 0.589 41.415 40.800 0.044 0.000 0.982 242 D HN 0.408 nan 8.370 nan 0.000 0.504 243 M N 0.802 120.430 119.600 0.046 0.000 2.213 243 M HA 0.156 4.687 4.480 0.085 0.000 0.286 243 M C -0.214 176.076 176.300 -0.017 0.000 1.008 243 M CA -0.451 54.839 55.300 -0.018 0.000 0.937 243 M CB 2.737 35.243 32.600 -0.158 0.000 1.600 243 M HN -0.210 nan 8.290 nan 0.000 0.450 244 T N -0.466 114.039 114.554 -0.082 0.000 2.754 244 T HA 0.315 4.716 4.350 0.085 0.000 0.286 244 T C -0.186 174.501 174.700 -0.022 0.000 0.997 244 T CA -0.307 61.754 62.100 -0.065 0.000 0.982 244 T CB 0.899 69.665 68.868 -0.170 0.000 1.027 244 T HN 0.470 nan 8.240 nan 0.000 0.529 245 Y N 1.813 122.049 120.300 -0.107 0.000 2.296 245 Y HA 0.245 4.847 4.550 0.087 0.000 0.343 245 Y C 1.200 177.041 175.900 -0.098 0.000 1.292 245 Y CA -0.965 57.078 58.100 -0.095 0.000 1.490 245 Y CB 0.488 38.899 38.460 -0.082 0.000 1.359 245 Y HN 0.816 nan 8.280 nan 0.000 0.599 246 N N 2.266 120.566 118.700 -0.667 0.000 2.994 246 N HA 0.101 4.892 4.740 0.085 0.000 0.306 246 N C -1.679 173.658 175.510 -0.288 0.000 1.348 246 N CA -0.174 52.629 53.050 -0.412 0.000 1.109 246 N CB -0.752 37.503 38.487 -0.387 0.000 1.415 246 N HN 0.363 nan 8.380 nan 0.000 0.529 247 N N 0.936 119.538 118.700 -0.163 0.000 2.448 247 N HA 0.302 5.093 4.740 0.085 0.000 0.279 247 N C -0.760 174.701 175.510 -0.081 0.000 1.025 247 N CA -0.282 52.726 53.050 -0.070 0.000 0.898 247 N CB 1.453 39.958 38.487 0.030 0.000 1.303 247 N HN 0.189 nan 8.380 nan 0.000 0.495 248 M N 2.460 121.978 119.600 -0.136 0.000 2.363 248 M HA 0.454 4.985 4.480 0.085 0.000 0.343 248 M C -2.253 173.981 176.300 -0.109 0.000 1.165 248 M CA -2.092 53.148 55.300 -0.100 0.000 1.046 248 M CB 1.439 33.985 32.600 -0.090 0.000 1.648 248 M HN 0.151 nan 8.290 nan 0.000 0.452 249 P HA 0.223 nan 4.420 nan 0.000 0.276 249 P C 0.635 177.919 177.300 -0.026 0.000 1.235 249 P CA -0.063 63.011 63.100 -0.044 0.000 0.772 249 P CB 0.890 32.579 31.700 -0.018 0.000 0.871 250 I N 2.043 122.577 120.570 -0.061 0.000 2.361 250 I HA -0.266 3.955 4.170 0.085 0.000 0.251 250 I C 1.948 178.061 176.117 -0.006 0.000 1.133 250 I CA 1.568 62.838 61.300 -0.048 0.000 1.413 250 I CB -0.327 37.625 38.000 -0.080 0.000 1.073 250 I HN 0.350 nan 8.210 nan 0.000 0.424 251 E N 0.591 120.785 120.200 -0.010 0.000 2.110 251 E HA -0.161 4.240 4.350 0.085 0.000 0.193 251 E C 1.864 178.469 176.600 0.009 0.000 0.988 251 E CA 1.222 57.620 56.400 -0.003 0.000 0.804 251 E CB 0.000 29.695 29.700 -0.008 0.000 0.745 251 E HN 0.481 nan 8.360 nan 0.000 0.458 252 L N -1.374 119.864 121.223 0.025 0.000 2.781 252 L HA 0.210 4.601 4.340 0.085 0.000 0.245 252 L C 1.545 178.437 176.870 0.036 0.000 1.118 252 L CA -0.308 54.543 54.840 0.019 0.000 0.918 252 L CB 0.038 42.101 42.059 0.006 0.000 1.246 252 L HN 0.056 nan 8.230 nan 0.000 0.526 253 F N 1.863 121.769 119.950 -0.073 0.000 2.095 253 F HA -0.262 4.314 4.527 0.083 0.000 0.298 253 F C 2.634 178.392 175.800 -0.071 0.000 1.104 253 F CA 1.775 59.726 58.000 -0.082 0.000 1.232 253 F CB 0.074 39.017 39.000 -0.095 0.000 0.987 253 F HN 0.061 nan 8.300 nan 0.000 0.475 254 Q N 0.790 120.584 119.800 -0.009 0.000 2.061 254 Q HA -0.212 4.179 4.340 0.085 0.000 0.204 254 Q C 2.194 178.091 176.000 -0.171 0.000 0.984 254 Q CA 1.904 57.642 55.803 -0.108 0.000 0.846 254 Q CB -0.667 28.064 28.738 -0.011 0.000 0.902 254 Q HN 0.479 nan 8.270 nan 0.000 0.421 255 K N 0.352 120.683 120.400 -0.116 0.000 2.097 255 K HA -0.043 4.328 4.320 0.085 0.000 0.206 255 K C 2.308 178.821 176.600 -0.145 0.000 1.049 255 K CA 0.739 56.962 56.287 -0.106 0.000 0.933 255 K CB -0.172 32.290 32.500 -0.063 0.000 0.717 255 K HN 0.111 nan 8.250 nan 0.000 0.442 256 L N 0.931 122.039 121.223 -0.192 0.000 2.083 256 L HA -0.197 4.194 4.340 0.085 0.000 0.209 256 L C 2.426 179.133 176.870 -0.272 0.000 1.083 256 L CA 1.026 55.739 54.840 -0.212 0.000 0.752 256 L CB -0.316 41.606 42.059 -0.229 0.000 0.899 256 L HN 0.048 nan 8.230 nan 0.000 0.433 257 K N 0.228 120.381 120.400 -0.411 0.000 2.209 257 K HA -0.138 4.233 4.320 0.085 0.000 0.204 257 K C 2.006 178.483 176.600 -0.206 0.000 1.048 257 K CA 1.275 57.347 56.287 -0.359 0.000 0.940 257 K CB 0.086 32.313 32.500 -0.454 0.000 0.729 257 K HN 0.022 nan 8.250 nan 0.000 0.451 258 K N 0.350 120.649 120.400 -0.168 0.000 2.186 258 K HA 0.009 4.380 4.320 0.085 0.000 0.202 258 K C 1.784 178.332 176.600 -0.088 0.000 1.052 258 K CA 1.079 57.301 56.287 -0.109 0.000 0.965 258 K CB 0.147 32.594 32.500 -0.088 0.000 0.746 258 K HN 0.350 nan 8.250 nan 0.000 0.457 259 E N 0.565 120.710 120.200 -0.091 0.000 2.122 259 E HA 0.027 4.429 4.350 0.085 0.000 0.190 259 E C 0.911 177.476 176.600 -0.058 0.000 0.977 259 E CA 0.684 57.046 56.400 -0.064 0.000 0.820 259 E CB 0.265 29.932 29.700 -0.055 0.000 0.770 259 E HN 0.304 nan 8.360 nan 0.000 0.462 260 I N -2.429 118.095 120.570 -0.076 0.000 2.931 260 I HA 0.259 4.480 4.170 0.085 0.000 0.322 260 I C -2.352 173.713 176.117 -0.087 0.000 1.446 260 I CA -1.733 59.528 61.300 -0.064 0.000 0.825 260 I CB 1.155 39.132 38.000 -0.038 0.000 2.195 260 I HN -0.236 nan 8.210 nan 0.000 0.608 261 P HA -0.177 nan 4.420 nan 0.000 0.216 261 P C 0.872 178.126 177.300 -0.077 0.000 1.153 261 P CA 1.607 64.650 63.100 -0.095 0.000 0.858 261 P CB 0.031 31.684 31.700 -0.078 0.000 0.789 262 N N -0.071 118.592 118.700 -0.062 0.000 2.459 262 N HA -0.097 4.695 4.740 0.085 0.000 0.181 262 N C 1.456 176.929 175.510 -0.062 0.000 1.046 262 N CA 0.867 53.885 53.050 -0.054 0.000 0.904 262 N CB -0.318 38.141 38.487 -0.046 0.000 0.964 262 N HN 0.446 nan 8.380 nan 0.000 0.444 263 E N -0.028 120.130 120.200 -0.070 0.000 2.452 263 E HA 0.103 4.505 4.350 0.085 0.000 0.197 263 E C -0.201 176.341 176.600 -0.097 0.000 1.022 263 E CA -0.026 56.331 56.400 -0.071 0.000 0.890 263 E CB 0.766 30.450 29.700 -0.026 0.000 0.918 263 E HN -0.034 nan 8.360 nan 0.000 0.496 264 V N 3.769 123.623 119.914 -0.101 0.000 2.372 264 V HA 0.117 4.289 4.120 0.085 0.000 0.261 264 V C 0.050 176.117 176.094 -0.045 0.000 1.055 264 V CA -0.247 61.993 62.300 -0.100 0.000 0.930 264 V CB 0.237 31.966 31.823 -0.156 0.000 1.031 264 V HN 0.120 nan 8.190 nan 0.000 0.479 265 R N 4.215 124.703 120.500 -0.021 0.000 2.229 265 R HA 0.598 4.990 4.340 0.085 0.000 0.328 265 R C -0.974 175.343 176.300 0.029 0.000 1.009 265 R CA -0.495 55.615 56.100 0.016 0.000 0.864 265 R CB 1.692 32.038 30.300 0.075 0.000 1.085 265 R HN 0.411 nan 8.270 nan 0.000 0.453 266 V N 4.120 124.048 119.914 0.024 0.000 2.447 266 V HA 0.351 4.522 4.120 0.085 0.000 0.292 266 V C -0.388 175.706 176.094 0.000 0.000 1.021 266 V CA -0.661 61.656 62.300 0.028 0.000 0.850 266 V CB 1.898 33.761 31.823 0.066 0.000 1.005 266 V HN 0.690 nan 8.190 nan 0.000 0.426 267 D N 4.566 124.959 120.400 -0.012 0.000 2.552 267 D HA 0.465 5.156 4.640 0.085 0.000 0.239 267 D C -2.869 173.436 176.300 0.009 0.000 1.139 267 D CA -1.433 52.552 54.000 -0.026 0.000 0.914 267 D CB 2.944 43.703 40.800 -0.068 0.000 1.461 267 D HN 0.199 nan 8.370 nan 0.000 0.462 268 P HA 0.047 nan 4.420 nan 0.000 0.267 268 P C -0.979 176.443 177.300 0.204 0.000 1.200 268 P CA 0.271 63.396 63.100 0.041 0.000 0.772 268 P CB 0.244 31.922 31.700 -0.036 0.000 0.855 269 Y N 1.820 122.207 120.300 0.144 0.000 2.399 269 Y HA 0.303 4.905 4.550 0.088 0.000 0.327 269 Y C -0.930 175.114 175.900 0.239 0.000 1.111 269 Y CA -1.237 56.958 58.100 0.159 0.000 1.047 269 Y CB 1.248 39.797 38.460 0.149 0.000 1.259 269 Y HN 0.158 nan 8.280 nan 0.000 0.434 270 L N 6.207 127.527 121.223 0.162 0.000 2.480 270 L HA 0.321 4.712 4.340 0.085 0.000 0.243 270 L C -0.868 175.897 176.870 -0.176 0.000 1.315 270 L CA 0.206 55.027 54.840 -0.031 0.000 1.231 270 L CB -0.679 41.366 42.059 -0.023 0.000 1.444 270 L HN 0.558 nan 8.230 nan 0.000 0.409 271 c N -0.607 117.841 118.600 -0.253 0.000 2.898 271 c HA 0.674 5.295 4.570 0.085 0.000 0.304 271 c C 0.276 174.384 174.090 0.031 0.000 1.237 271 c CA -0.731 55.391 56.329 -0.344 0.000 1.529 271 c CB 2.138 43.880 42.510 -1.278 0.000 2.021 271 c HN 0.438 nan 8.230 nan 0.000 0.474 272 T N 1.115 115.799 114.554 0.216 0.000 2.824 272 T HA 0.441 4.843 4.350 0.085 0.000 0.282 272 T C -1.305 173.693 174.700 0.497 0.000 0.993 272 T CA -0.185 62.147 62.100 0.388 0.000 0.967 272 T CB 0.888 69.937 68.868 0.301 0.000 0.960 272 T HN 0.559 nan 8.240 nan 0.000 0.441 273 Y N 4.489 124.894 120.300 0.175 0.000 2.320 273 Y HA 0.559 5.160 4.550 0.084 0.000 0.334 273 Y C -0.725 175.123 175.900 -0.086 0.000 1.055 273 Y CA -0.468 57.554 58.100 -0.129 0.000 1.143 273 Y CB 0.496 38.301 38.460 -1.093 0.000 1.193 273 Y HN 0.719 nan 8.280 nan 0.000 0.477 274 Y N 2.224 122.314 120.300 -0.350 0.000 2.670 274 Y HA 0.574 5.174 4.550 0.084 0.000 0.334 274 Y C -2.410 173.206 175.900 -0.475 0.000 1.185 274 Y CA -2.369 55.587 58.100 -0.240 0.000 1.053 274 Y CB 0.623 39.050 38.460 -0.054 0.000 1.298 274 Y HN 0.401 nan 8.280 nan 0.000 0.459 275 Y N 1.208 121.588 120.300 0.134 0.000 2.353 275 Y HA 0.332 4.934 4.550 0.087 0.000 0.340 275 Y C 0.195 176.162 175.900 0.111 0.000 0.972 275 Y CA -0.816 57.320 58.100 0.060 0.000 1.157 275 Y CB 1.456 40.030 38.460 0.191 0.000 1.157 275 Y HN 0.680 nan 8.280 nan 0.000 0.495 276 E N 4.549 124.791 120.200 0.070 0.000 2.257 276 E HA 0.296 4.697 4.350 0.085 0.000 0.278 276 E C -0.926 175.773 176.600 0.166 0.000 1.049 276 E CA -0.201 56.269 56.400 0.117 0.000 0.876 276 E CB 0.488 30.160 29.700 -0.047 0.000 1.035 276 E HN 0.605 nan 8.360 nan 0.000 0.419 277 I N 4.203 124.812 120.570 0.065 0.000 2.385 277 I HA 0.091 4.312 4.170 0.085 0.000 0.294 277 I C 0.359 176.392 176.117 -0.140 0.000 0.988 277 I CA -0.787 60.441 61.300 -0.120 0.000 1.265 277 I CB 1.160 39.067 38.000 -0.154 0.000 1.388 277 I HN 0.497 nan 8.210 nan 0.000 0.480 278 N N 4.817 123.257 118.700 -0.433 0.000 2.421 278 N HA 0.049 4.841 4.740 0.085 0.000 0.260 278 N C 0.412 175.800 175.510 -0.203 0.000 1.173 278 N CA 0.226 52.981 53.050 -0.492 0.000 0.960 278 N CB 0.121 37.959 38.487 -1.083 0.000 1.273 278 N HN 0.436 nan 8.380 nan 0.000 0.497 279 N N 1.612 120.283 118.700 -0.049 0.000 2.520 279 N HA -0.151 4.640 4.740 0.085 0.000 0.185 279 N C 1.000 176.516 175.510 0.009 0.000 1.068 279 N CA 0.792 53.855 53.050 0.021 0.000 0.911 279 N CB 0.115 38.658 38.487 0.093 0.000 0.961 279 N HN 0.735 nan 8.380 nan 0.000 0.446 280 Q N -0.601 119.178 119.800 -0.034 0.000 2.280 280 Q HA 0.131 4.522 4.340 0.085 0.000 0.201 280 Q C -0.060 175.900 176.000 -0.067 0.000 0.890 280 Q CA 0.150 55.923 55.803 -0.049 0.000 0.947 280 Q CB 0.363 29.064 28.738 -0.062 0.000 1.081 280 Q HN 0.018 nan 8.270 nan 0.000 0.502 281 K N 1.221 121.589 120.400 -0.054 0.000 2.323 281 K HA 0.563 4.934 4.320 0.085 0.000 0.259 281 K C -1.033 175.577 176.600 0.016 0.000 0.947 281 K CA -0.524 55.746 56.287 -0.028 0.000 0.819 281 K CB 1.645 34.113 32.500 -0.053 0.000 1.109 281 K HN 0.202 nan 8.250 nan 0.000 0.429 282 A N 4.687 127.477 122.820 -0.048 0.000 2.462 282 A HA 0.223 4.594 4.320 0.085 0.000 0.243 282 A C -1.720 175.732 177.584 -0.220 0.000 1.076 282 A CA -0.877 51.089 52.037 -0.119 0.000 0.773 282 A CB -0.041 18.905 19.000 -0.090 0.000 1.010 282 A HN 0.687 nan 8.150 nan 0.000 0.493 283 P HA 0.156 nan 4.420 nan 0.000 0.261 283 P C 0.028 177.020 177.300 -0.513 0.000 1.352 283 P CA 0.210 63.060 63.100 -0.417 0.000 0.891 283 P CB -0.014 31.505 31.700 -0.301 0.000 1.383 284 F N 1.598 121.466 119.950 -0.137 0.000 2.802 284 F HA 0.021 4.600 4.527 0.086 0.000 0.300 284 F C 1.773 177.503 175.800 -0.116 0.000 1.168 284 F CA 0.339 58.236 58.000 -0.172 0.000 1.433 284 F CB -0.930 37.926 39.000 -0.240 0.000 1.115 284 F HN 0.054 nan 8.300 nan 0.000 0.582 285 N N -0.863 117.841 118.700 0.007 0.000 2.336 285 N HA -0.070 4.721 4.740 0.085 0.000 0.189 285 N C -0.266 175.238 175.510 -0.009 0.000 1.113 285 N CA 0.255 53.307 53.050 0.003 0.000 0.858 285 N CB -0.322 38.155 38.487 -0.016 0.000 0.970 285 N HN 0.098 nan 8.380 nan 0.000 0.471 286 D N 0.655 121.040 120.400 -0.025 0.000 2.317 286 D HA 0.055 4.746 4.640 0.085 0.000 0.234 286 D C 0.888 177.183 176.300 -0.008 0.000 1.112 286 D CA -0.524 53.465 54.000 -0.020 0.000 0.840 286 D CB 2.079 42.862 40.800 -0.028 0.000 1.078 286 D HN -0.172 nan 8.370 nan 0.000 0.486 287 V N 5.748 125.665 119.914 0.004 0.000 2.568 287 V HA -0.241 3.930 4.120 0.085 0.000 0.253 287 V C 2.151 178.243 176.094 -0.005 0.000 1.072 287 V CA 1.838 64.142 62.300 0.007 0.000 1.084 287 V CB -0.205 31.630 31.823 0.021 0.000 0.676 287 V HN 0.534 nan 8.190 nan 0.000 0.469 288 R N -0.829 119.671 120.500 -0.001 0.000 2.096 288 R HA -0.111 4.280 4.340 0.085 0.000 0.235 288 R C 2.136 178.423 176.300 -0.023 0.000 1.127 288 R CA 1.626 57.726 56.100 -0.000 0.000 0.968 288 R CB -0.554 29.757 30.300 0.019 0.000 0.861 288 R HN 0.493 nan 8.270 nan 0.000 0.440 289 V N 1.143 121.036 119.914 -0.034 0.000 2.307 289 V HA -0.222 3.950 4.120 0.085 0.000 0.245 289 V C 2.292 178.326 176.094 -0.101 0.000 1.045 289 V CA 1.706 63.949 62.300 -0.094 0.000 1.024 289 V CB -0.491 31.246 31.823 -0.143 0.000 0.651 289 V HN 0.300 nan 8.190 nan 0.000 0.449 290 R N -0.019 120.450 120.500 -0.052 0.000 2.081 290 R HA -0.139 4.253 4.340 0.085 0.000 0.235 290 R C 2.368 178.618 176.300 -0.083 0.000 1.131 290 R CA 1.928 57.997 56.100 -0.052 0.000 0.960 290 R CB -0.914 29.372 30.300 -0.023 0.000 0.856 290 R HN 0.491 nan 8.270 nan 0.000 0.436 291 T N 1.165 115.671 114.554 -0.081 0.000 2.746 291 T HA -0.125 4.277 4.350 0.085 0.000 0.267 291 T C 2.021 176.644 174.700 -0.128 0.000 1.039 291 T CA 1.392 63.423 62.100 -0.115 0.000 1.142 291 T CB -0.241 68.579 68.868 -0.079 0.000 0.866 291 T HN 0.391 nan 8.240 nan 0.000 0.444 292 A N 1.334 124.093 122.820 -0.101 0.000 1.883 292 A HA -0.010 4.362 4.320 0.085 0.000 0.217 292 A C 2.320 179.826 177.584 -0.129 0.000 1.186 292 A CA 1.240 53.217 52.037 -0.100 0.000 0.624 292 A CB -0.878 18.057 19.000 -0.110 0.000 0.822 292 A HN 0.471 nan 8.150 nan 0.000 0.444 293 L N -0.692 120.411 121.223 -0.201 0.000 2.046 293 L HA -0.202 4.189 4.340 0.085 0.000 0.208 293 L C 2.670 179.610 176.870 0.116 0.000 1.077 293 L CA 1.941 56.625 54.840 -0.259 0.000 0.747 293 L CB -0.445 41.364 42.059 -0.416 0.000 0.896 293 L HN 0.511 nan 8.230 nan 0.000 0.432 294 K N 0.294 120.698 120.400 0.006 0.000 2.026 294 K HA -0.191 4.181 4.320 0.085 0.000 0.208 294 K C 2.114 178.629 176.600 -0.143 0.000 1.048 294 K CA 1.279 57.542 56.287 -0.040 0.000 0.929 294 K CB 0.071 32.447 32.500 -0.208 0.000 0.713 294 K HN 0.173 nan 8.250 nan 0.000 0.439 295 L N 0.484 121.576 121.223 -0.220 0.000 2.109 295 L HA -0.039 4.352 4.340 0.085 0.000 0.207 295 L C 2.563 179.470 176.870 0.063 0.000 1.086 295 L CA 1.558 56.286 54.840 -0.185 0.000 0.760 295 L CB -1.152 40.825 42.059 -0.137 0.000 0.910 295 L HN 0.303 nan 8.230 nan 0.000 0.437 296 A N -0.346 122.560 122.820 0.144 0.000 2.119 296 A HA -0.087 4.284 4.320 0.085 0.000 0.217 296 A C 1.149 178.927 177.584 0.322 0.000 1.153 296 A CA 0.161 52.342 52.037 0.240 0.000 0.692 296 A CB -0.412 18.731 19.000 0.238 0.000 0.799 296 A HN 0.229 nan 8.150 nan 0.000 0.458 297 L N 0.889 122.327 121.223 0.358 0.000 2.410 297 L HA 0.253 4.645 4.340 0.085 0.000 0.273 297 L C -0.455 176.492 176.870 0.130 0.000 1.152 297 L CA -0.217 54.716 54.840 0.155 0.000 0.855 297 L CB 0.469 42.608 42.059 0.133 0.000 1.129 297 L HN 0.157 nan 8.230 nan 0.000 0.463 298 D N 4.314 124.755 120.400 0.067 0.000 2.456 298 D HA 0.182 4.874 4.640 0.085 0.000 0.219 298 D C 1.027 177.372 176.300 0.075 0.000 1.126 298 D CA -0.213 53.836 54.000 0.081 0.000 0.890 298 D CB 0.644 41.476 40.800 0.053 0.000 1.025 298 D HN 0.575 nan 8.370 nan 0.000 0.511 299 R N 2.227 122.802 120.500 0.126 0.000 2.120 299 R HA -0.131 4.261 4.340 0.085 0.000 0.234 299 R C 1.416 177.767 176.300 0.085 0.000 1.123 299 R CA 1.322 57.505 56.100 0.139 0.000 0.975 299 R CB 0.038 30.478 30.300 0.234 0.000 0.866 299 R HN 0.403 nan 8.270 nan 0.000 0.446 300 D N 0.717 121.151 120.400 0.056 0.000 2.097 300 D HA -0.138 4.553 4.640 0.085 0.000 0.195 300 D C 1.712 178.018 176.300 0.009 0.000 0.989 300 D CA 1.233 55.249 54.000 0.026 0.000 0.827 300 D CB 0.042 40.849 40.800 0.012 0.000 0.966 300 D HN 0.126 nan 8.370 nan 0.000 0.456 301 I N 0.381 120.956 120.570 0.009 0.000 2.127 301 I HA -0.254 3.968 4.170 0.085 0.000 0.241 301 I C 2.185 178.287 176.117 -0.024 0.000 1.075 301 I CA 0.543 61.838 61.300 -0.009 0.000 1.334 301 I CB -0.299 37.695 38.000 -0.009 0.000 1.040 301 I HN 0.184 nan 8.210 nan 0.000 0.405 302 I N 0.373 120.934 120.570 -0.015 0.000 2.127 302 I HA -0.236 3.985 4.170 0.085 0.000 0.241 302 I C 2.641 178.717 176.117 -0.068 0.000 1.075 302 I CA 1.659 62.942 61.300 -0.028 0.000 1.334 302 I CB -1.086 36.926 38.000 0.021 0.000 1.040 302 I HN 0.076 nan 8.210 nan 0.000 0.405 303 V N 1.402 121.283 119.914 -0.054 0.000 2.307 303 V HA -0.205 3.966 4.120 0.085 0.000 0.245 303 V C 2.110 178.129 176.094 -0.124 0.000 1.045 303 V CA 1.755 63.978 62.300 -0.128 0.000 1.024 303 V CB -0.604 31.184 31.823 -0.057 0.000 0.651 303 V HN 0.425 nan 8.190 nan 0.000 0.449 304 N N -0.457 118.204 118.700 -0.066 0.000 2.402 304 N HA -0.010 4.782 4.740 0.085 0.000 0.174 304 N C 1.730 177.210 175.510 -0.050 0.000 1.027 304 N CA 0.641 53.659 53.050 -0.053 0.000 0.891 304 N CB -0.016 38.456 38.487 -0.025 0.000 1.016 304 N HN 0.381 nan 8.380 nan 0.000 0.439 305 K N 0.536 120.908 120.400 -0.047 0.000 2.121 305 K HA 0.198 4.569 4.320 0.085 0.000 0.203 305 K C 2.123 178.691 176.600 -0.054 0.000 1.041 305 K CA 0.446 56.709 56.287 -0.040 0.000 0.969 305 K CB -0.733 31.749 32.500 -0.030 0.000 0.799 305 K HN -0.062 nan 8.250 nan 0.000 0.456 306 V N 1.852 121.725 119.914 -0.069 0.000 2.273 306 V HA -0.107 4.064 4.120 0.085 0.000 0.242 306 V C 2.574 178.601 176.094 -0.112 0.000 1.035 306 V CA 1.720 63.971 62.300 -0.082 0.000 1.013 306 V CB -0.308 31.465 31.823 -0.083 0.000 0.652 306 V HN 0.280 nan 8.190 nan 0.000 0.452 307 K N 0.093 120.396 120.400 -0.162 0.000 2.063 307 K HA -0.012 4.360 4.320 0.085 0.000 0.204 307 K C 0.998 177.470 176.600 -0.213 0.000 1.039 307 K CA 1.041 57.189 56.287 -0.232 0.000 0.957 307 K CB -0.052 32.232 32.500 -0.359 0.000 0.764 307 K HN 0.461 nan 8.250 nan 0.000 0.447 308 N N 0.591 119.176 118.700 -0.191 0.000 2.725 308 N HA -0.213 4.579 4.740 0.085 0.000 0.251 308 N C -0.430 175.005 175.510 -0.125 0.000 1.031 308 N CA 0.282 53.260 53.050 -0.120 0.000 0.720 308 N CB -0.410 38.050 38.487 -0.044 0.000 0.930 308 N HN 0.440 nan 8.380 nan 0.000 0.543 309 Q N -0.917 118.714 119.800 -0.281 0.000 2.189 309 Q HA 0.226 4.617 4.340 0.085 0.000 0.223 309 Q C 1.322 177.193 176.000 -0.215 0.000 0.828 309 Q CA 0.535 56.091 55.803 -0.411 0.000 0.967 309 Q CB 1.094 29.324 28.738 -0.846 0.000 1.139 309 Q HN 0.575 nan 8.270 nan 0.000 0.497 310 G N 0.973 109.678 108.800 -0.159 0.000 2.192 310 G HA2 -0.153 3.858 3.960 0.085 0.000 0.193 310 G HA3 -0.153 3.858 3.960 0.085 0.000 0.193 310 G C -0.279 174.563 174.900 -0.097 0.000 0.999 310 G CA -0.379 44.669 45.100 -0.086 0.000 0.659 310 G HN 0.248 nan 8.290 nan 0.000 0.503 311 D N 0.280 120.559 120.400 -0.203 0.000 2.368 311 D HA 0.427 5.118 4.640 0.085 0.000 0.240 311 D C 0.066 176.341 176.300 -0.042 0.000 1.169 311 D CA 0.234 54.127 54.000 -0.178 0.000 0.906 311 D CB 1.446 41.873 40.800 -0.621 0.000 1.187 311 D HN 0.051 nan 8.370 nan 0.000 0.435 312 L N 1.982 123.280 121.223 0.125 0.000 2.322 312 L HA 0.316 4.708 4.340 0.085 0.000 0.281 312 L C -2.285 174.708 176.870 0.204 0.000 1.014 312 L CA -2.100 52.865 54.840 0.207 0.000 0.815 312 L CB 1.216 43.486 42.059 0.353 0.000 1.247 312 L HN 0.050 nan 8.230 nan 0.000 0.421 313 P HA 0.143 nan 4.420 nan 0.000 0.262 313 P C -1.020 176.358 177.300 0.131 0.000 1.182 313 P CA -0.016 63.231 63.100 0.244 0.000 0.761 313 P CB 0.521 32.436 31.700 0.358 0.000 0.795 314 A N 3.510 126.256 122.820 -0.123 0.000 2.325 314 A HA 0.565 4.936 4.320 0.085 0.000 0.333 314 A C -0.345 177.119 177.584 -0.200 0.000 1.155 314 A CA -0.422 51.242 52.037 -0.621 0.000 0.814 314 A CB 0.408 18.797 19.000 -1.017 0.000 1.206 314 A HN 0.686 nan 8.150 nan 0.000 0.482 315 Y N 0.181 120.294 120.300 -0.313 0.000 2.563 315 Y HA 0.486 5.088 4.550 0.086 0.000 0.250 315 Y C 0.299 176.135 175.900 -0.106 0.000 1.126 315 Y CA -0.120 57.758 58.100 -0.369 0.000 1.231 315 Y CB -0.390 37.362 38.460 -1.179 0.000 1.288 315 Y HN 0.702 nan 8.280 nan 0.000 0.537 316 S N -1.828 113.735 115.700 -0.230 0.000 2.671 316 S HA 0.344 4.865 4.470 0.085 0.000 0.277 316 S C -0.393 174.195 174.600 -0.019 0.000 1.165 316 S CA -0.520 57.627 58.200 -0.089 0.000 0.822 316 S CB 1.316 64.393 63.200 -0.206 0.000 1.150 316 S HN 0.115 nan 8.310 nan 0.000 0.479 317 Y N 1.937 122.124 120.300 -0.189 0.000 2.205 317 Y HA 0.305 4.908 4.550 0.088 0.000 0.292 317 Y C 1.160 176.852 175.900 -0.347 0.000 1.119 317 Y CA 1.239 59.200 58.100 -0.232 0.000 1.117 317 Y CB -0.821 37.492 38.460 -0.245 0.000 1.037 317 Y HN 0.729 nan 8.280 nan 0.000 0.510 318 T N 5.271 119.499 114.554 -0.542 0.000 2.853 318 T HA 0.148 4.549 4.350 0.085 0.000 0.298 318 T C -2.598 171.539 174.700 -0.939 0.000 0.978 318 T CA -0.936 60.507 62.100 -1.096 0.000 1.152 318 T CB 0.725 69.202 68.868 -0.651 0.000 0.914 318 T HN 0.089 nan 8.240 nan 0.000 0.539 319 P HA 0.128 nan 4.420 nan 0.000 0.268 319 P C -1.748 174.898 177.300 -1.090 0.000 1.204 319 P CA -1.533 60.817 63.100 -1.250 0.000 0.768 319 P CB 0.179 31.050 31.700 -1.380 0.000 0.842 320 P HA -0.138 nan 4.420 nan 0.000 0.225 320 P C 0.555 177.673 177.300 -0.304 0.000 1.148 320 P CA 1.513 64.316 63.100 -0.495 0.000 0.779 320 P CB -0.395 31.129 31.700 -0.294 0.000 0.780 321 Y N -2.277 117.835 120.300 -0.314 0.000 2.468 321 Y HA 0.387 4.987 4.550 0.083 0.000 0.268 321 Y C 0.527 176.326 175.900 -0.168 0.000 1.177 321 Y CA -0.967 57.020 58.100 -0.190 0.000 1.265 321 Y CB -1.692 36.679 38.460 -0.148 0.000 1.103 321 Y HN -0.326 nan 8.280 nan 0.000 0.522 322 T N 2.228 116.538 114.554 -0.407 0.000 2.940 322 T HA -0.093 4.309 4.350 0.085 0.000 0.309 322 T C -0.138 174.471 174.700 -0.150 0.000 1.056 322 T CA -0.122 61.798 62.100 -0.301 0.000 1.137 322 T CB 0.321 68.936 68.868 -0.422 0.000 0.976 322 T HN 0.276 nan 8.240 nan 0.000 0.547 323 D N 1.207 121.556 120.400 -0.085 0.000 2.389 323 D HA 0.228 4.919 4.640 0.085 0.000 0.263 323 D C 1.257 177.531 176.300 -0.044 0.000 1.255 323 D CA 1.309 55.291 54.000 -0.030 0.000 0.914 323 D CB -0.179 40.625 40.800 0.006 0.000 1.116 323 D HN 0.861 nan 8.370 nan 0.000 0.502 324 G N 2.495 111.289 108.800 -0.010 0.000 2.184 324 G HA2 -0.099 3.913 3.960 0.085 0.000 0.206 324 G HA3 -0.099 3.913 3.960 0.085 0.000 0.206 324 G C 0.298 175.222 174.900 0.041 0.000 0.995 324 G CA 0.128 45.250 45.100 0.036 0.000 0.651 324 G HN 0.880 nan 8.290 nan 0.000 0.511 325 A N 0.185 122.978 122.820 -0.044 0.000 2.301 325 A HA 0.785 5.157 4.320 0.085 0.000 0.298 325 A C 0.322 177.888 177.584 -0.030 0.000 1.185 325 A CA 0.477 52.475 52.037 -0.065 0.000 0.830 325 A CB 0.792 19.675 19.000 -0.196 0.000 1.112 325 A HN 0.601 nan 8.150 nan 0.000 0.508 326 K N 3.821 124.220 120.400 -0.001 0.000 2.992 326 K HA 0.407 4.778 4.320 0.085 0.000 0.178 326 K C -1.285 175.320 176.600 0.009 0.000 1.122 326 K CA -0.150 56.140 56.287 0.005 0.000 0.926 326 K CB 0.118 32.625 32.500 0.012 0.000 1.121 326 K HN 0.752 nan 8.250 nan 0.000 0.610 327 L N 1.645 122.872 121.223 0.007 0.000 2.418 327 L HA 0.446 4.837 4.340 0.085 0.000 0.265 327 L C 0.029 176.913 176.870 0.023 0.000 1.143 327 L CA -1.234 53.625 54.840 0.031 0.000 0.809 327 L CB 1.468 43.562 42.059 0.057 0.000 1.124 327 L HN 0.002 nan 8.230 nan 0.000 0.456 328 V N 1.294 121.210 119.914 0.003 0.000 2.370 328 V HA 0.123 4.294 4.120 0.085 0.000 0.279 328 V C 0.239 176.231 176.094 -0.170 0.000 1.029 328 V CA -0.626 61.634 62.300 -0.067 0.000 0.870 328 V CB 1.321 33.117 31.823 -0.045 0.000 0.984 328 V HN 0.779 nan 8.190 nan 0.000 0.451 329 E N 8.210 128.191 120.200 -0.365 0.000 2.265 329 E HA 0.186 4.587 4.350 0.085 0.000 0.272 329 E C -2.180 174.118 176.600 -0.504 0.000 1.067 329 E CA -1.427 54.518 56.400 -0.760 0.000 0.900 329 E CB 0.859 30.055 29.700 -0.840 0.000 1.017 329 E HN 0.458 nan 8.360 nan 0.000 0.431 330 P HA -0.045 nan 4.420 nan 0.000 0.267 330 P C 0.152 177.139 177.300 -0.523 0.000 1.200 330 P CA 0.015 62.825 63.100 -0.483 0.000 0.772 330 P CB 0.841 32.174 31.700 -0.612 0.000 0.855 331 E N 1.899 121.904 120.200 -0.325 0.000 2.204 331 E HA -0.136 4.265 4.350 0.085 0.000 0.195 331 E C 1.860 178.096 176.600 -0.606 0.000 0.990 331 E CA 1.156 57.395 56.400 -0.269 0.000 0.821 331 E CB -0.379 29.300 29.700 -0.035 0.000 0.750 331 E HN 0.718 nan 8.360 nan 0.000 0.477 332 W N -0.344 120.475 121.300 -0.801 0.000 2.392 332 W HA -0.145 4.566 4.660 0.086 0.000 0.279 332 W C 1.594 177.759 176.519 -0.590 0.000 1.225 332 W CA 0.151 56.688 57.345 -1.348 0.000 1.233 332 W CB -1.120 27.783 29.460 -0.927 0.000 1.122 332 W HN -0.065 nan 8.180 nan 0.000 0.561 333 F N 2.841 122.274 119.950 -0.862 0.000 2.365 333 F HA -0.019 4.559 4.527 0.085 0.000 0.300 333 F C 2.118 177.787 175.800 -0.218 0.000 1.090 333 F CA 1.579 59.229 58.000 -0.583 0.000 1.408 333 F CB -0.167 38.312 39.000 -0.870 0.000 1.060 333 F HN -0.235 nan 8.300 nan 0.000 0.534 334 K N -1.163 119.140 120.400 -0.161 0.000 2.361 334 K HA -0.059 4.313 4.320 0.085 0.000 0.196 334 K C 0.327 177.022 176.600 0.159 0.000 1.039 334 K CA 0.011 56.278 56.287 -0.034 0.000 1.001 334 K CB -0.125 32.384 32.500 0.016 0.000 0.795 334 K HN 0.050 nan 8.250 nan 0.000 0.495 335 W N 2.214 123.534 121.300 0.033 0.000 1.902 335 W HA 0.045 4.757 4.660 0.086 0.000 0.360 335 W C 1.202 177.735 176.519 0.024 0.000 1.414 335 W CA -1.252 56.124 57.345 0.052 0.000 1.457 335 W CB -0.379 29.151 29.460 0.118 0.000 1.279 335 W HN -0.070 nan 8.180 nan 0.000 0.665 336 S N -0.087 115.776 115.700 0.273 0.000 2.645 336 S HA 0.103 4.625 4.470 0.085 0.000 0.266 336 S C 0.715 175.430 174.600 0.191 0.000 1.258 336 S CA -0.427 57.865 58.200 0.153 0.000 0.990 336 S CB 1.319 64.567 63.200 0.080 0.000 0.967 336 S HN 0.409 nan 8.310 nan 0.000 0.556 337 Q N 0.317 120.196 119.800 0.131 0.000 2.167 337 Q HA -0.123 4.269 4.340 0.085 0.000 0.202 337 Q C 2.217 178.296 176.000 0.132 0.000 0.970 337 Q CA 1.843 57.732 55.803 0.143 0.000 0.855 337 Q CB -0.469 28.330 28.738 0.101 0.000 0.911 337 Q HN 0.884 nan 8.270 nan 0.000 0.438 338 Q N 0.001 119.856 119.800 0.091 0.000 2.096 338 Q HA -0.242 4.149 4.340 0.085 0.000 0.204 338 Q C 1.928 177.963 176.000 0.059 0.000 0.982 338 Q CA 1.827 57.668 55.803 0.063 0.000 0.850 338 Q CB -0.134 28.624 28.738 0.033 0.000 0.901 338 Q HN 0.346 nan 8.270 nan 0.000 0.422 339 K N -0.023 120.409 120.400 0.053 0.000 2.097 339 K HA -0.145 4.226 4.320 0.085 0.000 0.205 339 K C 2.122 178.797 176.600 0.124 0.000 1.050 339 K CA 1.017 57.287 56.287 -0.028 0.000 0.938 339 K CB 0.042 32.418 32.500 -0.207 0.000 0.718 339 K HN 0.142 nan 8.250 nan 0.000 0.442 340 R N 0.335 121.039 120.500 0.340 0.000 2.081 340 R HA -0.070 4.322 4.340 0.085 0.000 0.235 340 R C 2.049 178.483 176.300 0.224 0.000 1.131 340 R CA 1.526 57.878 56.100 0.420 0.000 0.960 340 R CB -0.299 30.221 30.300 0.366 0.000 0.856 340 R HN 0.269 nan 8.270 nan 0.000 0.436 341 N N 0.650 119.443 118.700 0.156 0.000 2.120 341 N HA -0.152 4.639 4.740 0.085 0.000 0.188 341 N C 1.593 177.151 175.510 0.080 0.000 1.024 341 N CA 1.117 54.233 53.050 0.108 0.000 0.852 341 N CB -0.182 38.359 38.487 0.090 0.000 1.003 341 N HN 0.199 nan 8.380 nan 0.000 0.424 342 E N 0.838 121.074 120.200 0.061 0.000 2.077 342 E HA -0.181 4.220 4.350 0.085 0.000 0.193 342 E C 1.850 178.476 176.600 0.043 0.000 0.989 342 E CA 0.766 57.185 56.400 0.032 0.000 0.800 342 E CB -0.222 29.476 29.700 -0.004 0.000 0.746 342 E HN 0.422 nan 8.360 nan 0.000 0.452 343 E N 1.130 121.374 120.200 0.074 0.000 2.051 343 E HA -0.137 4.264 4.350 0.085 0.000 0.192 343 E C 1.900 178.553 176.600 0.088 0.000 0.991 343 E CA 1.550 58.015 56.400 0.108 0.000 0.799 343 E CB -0.291 29.558 29.700 0.249 0.000 0.748 343 E HN 0.177 nan 8.360 nan 0.000 0.449 344 A N 0.769 123.639 122.820 0.084 0.000 1.877 344 A HA -0.219 4.152 4.320 0.085 0.000 0.216 344 A C 2.099 179.697 177.584 0.024 0.000 1.186 344 A CA 1.966 54.026 52.037 0.038 0.000 0.620 344 A CB -0.491 18.531 19.000 0.036 0.000 0.822 344 A HN 0.244 nan 8.150 nan 0.000 0.443 345 K N -0.364 120.056 120.400 0.033 0.000 2.097 345 K HA -0.138 4.233 4.320 0.085 0.000 0.206 345 K C 2.207 178.826 176.600 0.033 0.000 1.049 345 K CA 1.438 57.741 56.287 0.028 0.000 0.933 345 K CB -0.142 32.377 32.500 0.030 0.000 0.717 345 K HN 0.500 nan 8.250 nan 0.000 0.442 346 K N 1.475 121.895 120.400 0.034 0.000 2.057 346 K HA -0.136 4.235 4.320 0.085 0.000 0.207 346 K C 2.056 178.679 176.600 0.039 0.000 1.049 346 K CA 1.133 57.440 56.287 0.034 0.000 0.931 346 K CB -0.064 32.455 32.500 0.031 0.000 0.714 346 K HN 0.072 nan 8.250 nan 0.000 0.440 347 L N 0.957 122.203 121.223 0.039 0.000 2.046 347 L HA -0.193 4.198 4.340 0.085 0.000 0.208 347 L C 2.479 179.382 176.870 0.055 0.000 1.077 347 L CA 0.957 55.821 54.840 0.038 0.000 0.747 347 L CB -0.338 41.736 42.059 0.025 0.000 0.896 347 L HN 0.250 nan 8.230 nan 0.000 0.432 348 L N -0.615 120.641 121.223 0.056 0.000 2.093 348 L HA -0.170 4.221 4.340 0.085 0.000 0.208 348 L C 2.864 179.843 176.870 0.182 0.000 1.085 348 L CA 1.053 55.968 54.840 0.125 0.000 0.755 348 L CB -0.671 41.406 42.059 0.031 0.000 0.904 348 L HN 0.261 nan 8.230 nan 0.000 0.435 349 A N 0.077 122.957 122.820 0.099 0.000 1.902 349 A HA -0.233 4.139 4.320 0.085 0.000 0.217 349 A C 2.102 179.712 177.584 0.043 0.000 1.181 349 A CA 1.652 53.731 52.037 0.071 0.000 0.623 349 A CB -0.423 18.603 19.000 0.044 0.000 0.818 349 A HN 0.431 nan 8.150 nan 0.000 0.443 350 E N -0.397 119.826 120.200 0.039 0.000 2.153 350 E HA -0.077 4.324 4.350 0.085 0.000 0.194 350 E C 1.976 178.579 176.600 0.005 0.000 0.988 350 E CA 0.861 57.272 56.400 0.018 0.000 0.811 350 E CB -0.231 29.482 29.700 0.021 0.000 0.746 350 E HN 0.615 nan 8.360 nan 0.000 0.466 351 A N -0.068 122.776 122.820 0.041 0.000 2.235 351 A HA 0.206 4.578 4.320 0.085 0.000 0.208 351 A C 1.682 179.166 177.584 -0.167 0.000 1.172 351 A CA 0.936 52.981 52.037 0.014 0.000 0.786 351 A CB -0.212 18.889 19.000 0.168 0.000 0.804 351 A HN 0.357 nan 8.150 nan 0.000 0.479 352 G N -2.351 106.346 108.800 -0.171 0.000 2.179 352 G HA2 -0.198 3.813 3.960 0.085 0.000 0.220 352 G HA3 -0.198 3.813 3.960 0.085 0.000 0.220 352 G C -0.056 174.599 174.900 -0.410 0.000 0.990 352 G CA -0.096 44.816 45.100 -0.314 0.000 0.646 352 G HN 0.304 nan 8.290 nan 0.000 0.517 353 F N 2.095 122.021 119.950 -0.039 0.000 2.384 353 F HA 0.643 5.222 4.527 0.086 0.000 0.338 353 F C 1.162 176.948 175.800 -0.023 0.000 1.103 353 F CA 0.589 58.569 58.000 -0.034 0.000 1.157 353 F CB 1.664 40.641 39.000 -0.038 0.000 1.167 353 F HN 0.244 nan 8.300 nan 0.000 0.529 354 T N -1.401 113.243 114.554 0.151 0.000 2.804 354 T HA 0.657 5.059 4.350 0.085 0.000 0.290 354 T C 0.683 175.429 174.700 0.077 0.000 1.099 354 T CA -0.345 61.804 62.100 0.081 0.000 1.011 354 T CB 1.322 70.209 68.868 0.032 0.000 1.291 354 T HN 0.527 nan 8.240 nan 0.000 0.523 355 A N 0.277 123.126 122.820 0.048 0.000 1.930 355 A HA -0.000 4.371 4.320 0.085 0.000 0.217 355 A C 1.810 179.416 177.584 0.036 0.000 1.175 355 A CA 1.671 53.731 52.037 0.038 0.000 0.627 355 A CB -1.023 17.992 19.000 0.026 0.000 0.815 355 A HN 0.844 nan 8.150 nan 0.000 0.443 356 D N -1.136 119.282 120.400 0.030 0.000 2.277 356 D HA 0.044 4.735 4.640 0.085 0.000 0.208 356 D C 0.275 176.595 176.300 0.033 0.000 0.962 356 D CA 1.025 55.040 54.000 0.024 0.000 0.865 356 D CB 0.153 40.961 40.800 0.013 0.000 0.939 356 D HN 0.135 nan 8.370 nan 0.000 0.510 357 K N 0.858 121.288 120.400 0.050 0.000 2.827 357 K HA 0.256 4.627 4.320 0.085 0.000 0.186 357 K C -2.621 174.082 176.600 0.171 0.000 1.093 357 K CA -1.914 54.417 56.287 0.073 0.000 0.993 357 K CB 1.913 34.427 32.500 0.023 0.000 1.199 357 K HN -0.055 nan 8.250 nan 0.000 0.598 358 P HA 0.143 nan 4.420 nan 0.000 0.277 358 P C -0.742 176.660 177.300 0.171 0.000 1.271 358 P CA -0.845 62.349 63.100 0.158 0.000 0.795 358 P CB 0.816 32.547 31.700 0.053 0.000 1.101 359 L N 0.596 121.764 121.223 -0.091 0.000 2.281 359 L HA 0.432 4.823 4.340 0.085 0.000 0.285 359 L C -0.630 176.208 176.870 -0.053 0.000 1.074 359 L CA 0.711 55.384 54.840 -0.278 0.000 0.817 359 L CB -0.032 41.554 42.059 -0.790 0.000 1.168 359 L HN 0.269 nan 8.230 nan 0.000 0.434 360 T N 6.756 121.345 114.554 0.058 0.000 2.879 360 T HA 0.737 5.138 4.350 0.085 0.000 0.290 360 T C -0.886 173.921 174.700 0.179 0.000 0.993 360 T CA -0.139 61.974 62.100 0.021 0.000 0.975 360 T CB 0.849 69.727 68.868 0.016 0.000 0.981 360 T HN 0.505 nan 8.240 nan 0.000 0.439 361 F N -0.444 119.551 119.950 0.075 0.000 2.831 361 F HA 0.707 5.285 4.527 0.085 0.000 0.318 361 F C -1.423 174.454 175.800 0.128 0.000 1.174 361 F CA -1.376 56.710 58.000 0.142 0.000 0.918 361 F CB 0.751 39.934 39.000 0.306 0.000 1.364 361 F HN 0.223 nan 8.300 nan 0.000 0.475 362 D N 1.478 122.127 120.400 0.414 0.000 2.225 362 D HA 0.468 5.159 4.640 0.085 0.000 0.249 362 D C -1.247 175.279 176.300 0.376 0.000 1.052 362 D CA -0.089 54.079 54.000 0.279 0.000 0.909 362 D CB 2.432 43.372 40.800 0.233 0.000 1.186 362 D HN 0.520 nan 8.370 nan 0.000 0.431 363 L N 2.655 124.042 121.223 0.274 0.000 2.388 363 L HA 0.310 4.701 4.340 0.085 0.000 0.267 363 L C -1.469 175.591 176.870 0.317 0.000 0.995 363 L CA -0.789 54.240 54.840 0.316 0.000 0.864 363 L CB 1.151 43.362 42.059 0.252 0.000 1.216 363 L HN 0.217 nan 8.230 nan 0.000 0.430 364 L N 6.287 127.698 121.223 0.315 0.000 2.312 364 L HA 0.669 5.060 4.340 0.085 0.000 0.281 364 L C -1.044 176.047 176.870 0.369 0.000 1.070 364 L CA -0.011 54.991 54.840 0.270 0.000 0.805 364 L CB 1.020 43.211 42.059 0.220 0.000 1.174 364 L HN 0.619 nan 8.230 nan 0.000 0.434 365 Y N 2.420 122.782 120.300 0.103 0.000 2.597 365 Y HA 0.562 5.163 4.550 0.085 0.000 0.340 365 Y C -0.994 174.596 175.900 -0.517 0.000 1.097 365 Y CA -1.541 56.456 58.100 -0.172 0.000 1.037 365 Y CB 0.783 39.229 38.460 -0.023 0.000 1.305 365 Y HN 0.713 nan 8.280 nan 0.000 0.463 366 N N 0.787 118.944 118.700 -0.905 0.000 2.488 366 N HA 0.101 4.893 4.740 0.085 0.000 0.274 366 N C -0.639 174.843 175.510 -0.047 0.000 1.111 366 N CA -0.280 52.390 53.050 -0.633 0.000 0.974 366 N CB 1.231 39.417 38.487 -0.503 0.000 1.089 366 N HN 0.795 nan 8.380 nan 0.000 0.465 367 T N 1.420 115.931 114.554 -0.072 0.000 2.656 367 T HA 0.045 4.446 4.350 0.085 0.000 0.258 367 T C 0.288 175.087 174.700 0.165 0.000 1.020 367 T CA 0.695 62.831 62.100 0.061 0.000 1.191 367 T CB -0.494 68.384 68.868 0.017 0.000 1.004 367 T HN 0.739 nan 8.240 nan 0.000 0.498 368 S N 1.714 117.564 115.700 0.249 0.000 2.608 368 S HA 0.181 4.702 4.470 0.085 0.000 0.285 368 S C 0.303 174.947 174.600 0.073 0.000 1.108 368 S CA -0.789 57.485 58.200 0.122 0.000 0.858 368 S CB 1.559 64.814 63.200 0.092 0.000 1.077 368 S HN 0.601 nan 8.310 nan 0.000 0.450 369 D N 1.539 121.933 120.400 -0.010 0.000 2.123 369 D HA -0.063 4.628 4.640 0.085 0.000 0.200 369 D C 1.842 178.087 176.300 -0.093 0.000 0.976 369 D CA 1.431 55.412 54.000 -0.032 0.000 0.831 369 D CB 0.056 40.837 40.800 -0.031 0.000 0.974 369 D HN 0.453 nan 8.370 nan 0.000 0.469 370 L N 1.120 122.245 121.223 -0.162 0.000 1.994 370 L HA -0.163 4.229 4.340 0.085 0.000 0.208 370 L C 2.289 179.044 176.870 -0.191 0.000 1.071 370 L CA 1.855 56.564 54.840 -0.219 0.000 0.745 370 L CB -0.913 40.959 42.059 -0.313 0.000 0.892 370 L HN 0.113 nan 8.230 nan 0.000 0.431 371 H N -0.211 118.841 119.070 -0.029 0.000 2.423 371 H HA -0.131 4.476 4.556 0.085 0.000 0.297 371 H C 2.171 177.242 175.328 -0.429 0.000 1.075 371 H CA 1.460 57.461 56.048 -0.078 0.000 1.342 371 H CB -0.181 29.611 29.762 0.050 0.000 1.395 371 H HN 0.454 nan 8.280 nan 0.000 0.530 372 K N 1.553 121.702 120.400 -0.418 0.000 2.025 372 K HA -0.125 4.246 4.320 0.085 0.000 0.207 372 K C 1.980 178.417 176.600 -0.271 0.000 1.049 372 K CA 1.136 57.083 56.287 -0.567 0.000 0.933 372 K CB 0.142 32.535 32.500 -0.179 0.000 0.714 372 K HN 0.148 nan 8.250 nan 0.000 0.438 373 K N 0.618 120.924 120.400 -0.156 0.000 2.063 373 K HA -0.127 4.244 4.320 0.085 0.000 0.208 373 K C 2.215 178.755 176.600 -0.101 0.000 1.048 373 K CA 1.407 57.629 56.287 -0.109 0.000 0.928 373 K CB -0.156 32.289 32.500 -0.092 0.000 0.713 373 K HN 0.169 nan 8.250 nan 0.000 0.442 374 L N 0.406 121.579 121.223 -0.082 0.000 2.046 374 L HA -0.185 4.207 4.340 0.085 0.000 0.208 374 L C 2.603 179.463 176.870 -0.017 0.000 1.077 374 L CA 1.165 55.990 54.840 -0.025 0.000 0.747 374 L CB -0.577 41.509 42.059 0.044 0.000 0.896 374 L HN 0.209 nan 8.230 nan 0.000 0.432 375 A N 0.130 122.916 122.820 -0.056 0.000 1.933 375 A HA -0.161 4.210 4.320 0.085 0.000 0.218 375 A C 2.216 179.722 177.584 -0.130 0.000 1.175 375 A CA 1.374 53.353 52.037 -0.097 0.000 0.628 375 A CB -0.617 18.291 19.000 -0.152 0.000 0.814 375 A HN 0.347 nan 8.150 nan 0.000 0.444 376 I N -0.291 120.209 120.570 -0.116 0.000 2.226 376 I HA -0.293 3.928 4.170 0.085 0.000 0.245 376 I C 2.979 179.039 176.117 -0.094 0.000 1.100 376 I CA 1.066 62.316 61.300 -0.084 0.000 1.374 376 I CB -0.301 37.660 38.000 -0.066 0.000 1.057 376 I HN 0.367 nan 8.210 nan 0.000 0.413 377 A N 0.282 123.041 122.820 -0.102 0.000 1.902 377 A HA -0.156 4.215 4.320 0.085 0.000 0.217 377 A C 2.418 179.902 177.584 -0.168 0.000 1.181 377 A CA 1.752 53.724 52.037 -0.107 0.000 0.623 377 A CB -0.968 17.978 19.000 -0.091 0.000 0.818 377 A HN 0.241 nan 8.150 nan 0.000 0.443 378 V N -0.149 119.613 119.914 -0.254 0.000 2.343 378 V HA -0.245 3.926 4.120 0.085 0.000 0.247 378 V C 3.050 178.865 176.094 -0.465 0.000 1.051 378 V CA 1.894 63.888 62.300 -0.510 0.000 1.036 378 V CB -1.202 30.169 31.823 -0.754 0.000 0.654 378 V HN 0.624 nan 8.190 nan 0.000 0.451 379 A N -0.681 121.993 122.820 -0.244 0.000 1.902 379 A HA -0.246 4.125 4.320 0.085 0.000 0.217 379 A C 2.570 180.142 177.584 -0.020 0.000 1.181 379 A CA 2.322 54.315 52.037 -0.072 0.000 0.623 379 A CB -0.777 18.193 19.000 -0.050 0.000 0.818 379 A HN 0.495 nan 8.150 nan 0.000 0.443 380 S N -0.527 115.141 115.700 -0.053 0.000 2.368 380 S HA -0.092 4.429 4.470 0.085 0.000 0.224 380 S C 1.923 176.521 174.600 -0.005 0.000 1.029 380 S CA 1.316 59.502 58.200 -0.023 0.000 0.988 380 S CB -0.508 62.672 63.200 -0.034 0.000 0.838 380 S HN 0.476 nan 8.310 nan 0.000 0.462 381 I N 0.007 120.547 120.570 -0.049 0.000 2.226 381 I HA -0.164 4.057 4.170 0.085 0.000 0.245 381 I C 2.160 178.337 176.117 0.101 0.000 1.100 381 I CA 1.073 62.360 61.300 -0.021 0.000 1.374 381 I CB -0.367 37.567 38.000 -0.110 0.000 1.057 381 I HN 0.421 nan 8.210 nan 0.000 0.413 382 W N 1.450 122.737 121.300 -0.022 0.000 2.402 382 W HA -0.167 4.544 4.660 0.086 0.000 0.286 382 W C 2.649 179.152 176.519 -0.027 0.000 1.221 382 W CA 0.998 58.332 57.345 -0.019 0.000 1.257 382 W CB -0.722 28.721 29.460 -0.027 0.000 1.120 382 W HN 0.090 nan 8.180 nan 0.000 0.551 383 K N 1.198 121.707 120.400 0.181 0.000 2.025 383 K HA -0.189 4.183 4.320 0.085 0.000 0.207 383 K C 1.995 178.636 176.600 0.070 0.000 1.049 383 K CA 1.980 58.318 56.287 0.086 0.000 0.933 383 K CB -0.446 32.081 32.500 0.046 0.000 0.714 383 K HN -0.058 nan 8.250 nan 0.000 0.438 384 K N -0.157 120.284 120.400 0.068 0.000 2.062 384 K HA -0.023 4.349 4.320 0.085 0.000 0.205 384 K C 1.494 178.132 176.600 0.063 0.000 1.051 384 K CA 1.623 57.942 56.287 0.052 0.000 0.941 384 K CB -0.060 32.463 32.500 0.040 0.000 0.719 384 K HN 0.122 nan 8.250 nan 0.000 0.440 385 N N -0.226 118.529 118.700 0.092 0.000 2.376 385 N HA -0.028 4.763 4.740 0.085 0.000 0.177 385 N C 0.930 176.494 175.510 0.089 0.000 1.024 385 N CA 0.745 53.853 53.050 0.097 0.000 0.893 385 N CB 0.284 38.853 38.487 0.136 0.000 0.980 385 N HN 0.187 nan 8.380 nan 0.000 0.439 386 L N -1.544 119.734 121.223 0.092 0.000 3.174 386 L HA 0.425 4.816 4.340 0.085 0.000 0.283 386 L C 0.676 177.555 176.870 0.015 0.000 1.187 386 L CA 0.473 55.340 54.840 0.044 0.000 1.018 386 L CB 0.134 42.205 42.059 0.021 0.000 1.433 386 L HN 0.177 nan 8.230 nan 0.000 0.593 387 G N 0.826 109.643 108.800 0.028 0.000 2.176 387 G HA2 -0.207 3.804 3.960 0.085 0.000 0.252 387 G HA3 -0.207 3.804 3.960 0.085 0.000 0.252 387 G C 0.136 175.024 174.900 -0.019 0.000 1.024 387 G CA 0.451 45.558 45.100 0.010 0.000 0.755 387 G HN 0.777 nan 8.290 nan 0.000 0.507 388 V N -2.645 117.251 119.914 -0.030 0.000 2.612 388 V HA 0.798 4.969 4.120 0.085 0.000 0.301 388 V C -0.033 176.009 176.094 -0.087 0.000 1.046 388 V CA -1.789 60.459 62.300 -0.086 0.000 0.946 388 V CB 1.917 33.657 31.823 -0.138 0.000 1.003 388 V HN 0.200 nan 8.190 nan 0.000 0.459 389 N N 2.326 120.939 118.700 -0.144 0.000 2.400 389 N HA 0.677 5.469 4.740 0.085 0.000 0.288 389 N C -0.602 174.722 175.510 -0.309 0.000 1.024 389 N CA -0.303 52.658 53.050 -0.148 0.000 0.894 389 N CB 2.239 40.675 38.487 -0.085 0.000 1.173 389 N HN 0.964 nan 8.380 nan 0.000 0.487 390 V N -0.269 119.491 119.914 -0.257 0.000 2.823 390 V HA 0.612 4.783 4.120 0.085 0.000 0.312 390 V C -0.552 175.468 176.094 -0.123 0.000 1.072 390 V CA -1.063 61.034 62.300 -0.338 0.000 0.937 390 V CB 1.894 33.507 31.823 -0.350 0.000 1.013 390 V HN 0.516 nan 8.190 nan 0.000 0.430 391 N N 3.288 121.947 118.700 -0.069 0.000 2.469 391 N HA 0.623 5.414 4.740 0.085 0.000 0.253 391 N C -1.048 174.505 175.510 0.072 0.000 0.970 391 N CA -0.513 52.546 53.050 0.014 0.000 0.940 391 N CB 1.575 40.081 38.487 0.032 0.000 1.128 391 N HN 0.626 nan 8.380 nan 0.000 0.503 392 L N 2.152 123.432 121.223 0.096 0.000 2.397 392 L HA 0.236 4.627 4.340 0.085 0.000 0.271 392 L C 0.198 177.166 176.870 0.164 0.000 1.148 392 L CA 0.511 55.461 54.840 0.183 0.000 0.825 392 L CB 0.410 42.603 42.059 0.224 0.000 1.117 392 L HN 0.526 nan 8.230 nan 0.000 0.456 393 E N 2.743 123.033 120.200 0.150 0.000 2.275 393 E HA 0.333 4.735 4.350 0.085 0.000 0.270 393 E C -1.189 175.243 176.600 -0.280 0.000 0.882 393 E CA -0.847 55.555 56.400 0.004 0.000 0.758 393 E CB 1.737 31.458 29.700 0.036 0.000 1.195 393 E HN 0.570 nan 8.360 nan 0.000 0.419 394 N N 2.593 121.051 118.700 -0.402 0.000 2.417 394 N HA 0.297 5.089 4.740 0.085 0.000 0.300 394 N C -0.731 174.597 175.510 -0.304 0.000 1.102 394 N CA -0.595 52.032 53.050 -0.706 0.000 0.886 394 N CB 2.141 40.241 38.487 -0.645 0.000 1.203 394 N HN 0.445 nan 8.380 nan 0.000 0.496 395 Q N -0.143 119.504 119.800 -0.254 0.000 2.389 395 Q HA 0.194 4.586 4.340 0.085 0.000 0.277 395 Q C -1.055 174.926 176.000 -0.030 0.000 1.082 395 Q CA -0.767 54.994 55.803 -0.071 0.000 0.810 395 Q CB 2.779 31.541 28.738 0.040 0.000 1.374 395 Q HN 0.680 nan 8.270 nan 0.000 0.422 396 E N 1.561 121.779 120.200 0.030 0.000 2.415 396 E HA -0.125 4.276 4.350 0.085 0.000 0.262 396 E C 0.299 177.007 176.600 0.180 0.000 1.038 396 E CA 0.017 56.471 56.400 0.090 0.000 0.921 396 E CB 0.550 30.300 29.700 0.083 0.000 0.950 396 E HN 0.741 nan 8.360 nan 0.000 0.438 397 W N 4.410 125.724 121.300 0.024 0.000 2.290 397 W HA -0.330 4.382 4.660 0.087 0.000 0.328 397 W C 1.776 178.383 176.519 0.146 0.000 1.272 397 W CA 2.055 59.452 57.345 0.087 0.000 1.262 397 W CB -0.189 29.299 29.460 0.048 0.000 1.151 397 W HN 0.579 nan 8.180 nan 0.000 0.473 398 K N 0.468 120.911 120.400 0.071 0.000 2.057 398 K HA -0.144 4.227 4.320 0.085 0.000 0.207 398 K C 1.926 178.482 176.600 -0.073 0.000 1.049 398 K CA 2.739 58.985 56.287 -0.069 0.000 0.931 398 K CB -1.122 31.410 32.500 0.054 0.000 0.714 398 K HN 0.067 nan 8.250 nan 0.000 0.440 399 T N 0.695 115.251 114.554 0.003 0.000 2.821 399 T HA -0.077 4.324 4.350 0.085 0.000 0.267 399 T C 1.447 176.143 174.700 -0.006 0.000 1.046 399 T CA 1.267 63.369 62.100 0.003 0.000 1.139 399 T CB -0.464 68.422 68.868 0.030 0.000 0.871 399 T HN 0.305 nan 8.240 nan 0.000 0.454 400 F N 1.977 121.827 119.950 -0.167 0.000 2.126 400 F HA -0.031 4.547 4.527 0.085 0.000 0.299 400 F C 1.847 177.463 175.800 -0.307 0.000 1.096 400 F CA 1.102 58.970 58.000 -0.220 0.000 1.255 400 F CB -0.537 38.348 39.000 -0.190 0.000 0.997 400 F HN 0.053 nan 8.300 nan 0.000 0.479 401 L N -0.171 120.778 121.223 -0.456 0.000 2.056 401 L HA -0.203 4.188 4.340 0.085 0.000 0.207 401 L C 2.207 178.930 176.870 -0.246 0.000 1.078 401 L CA 1.425 55.959 54.840 -0.511 0.000 0.749 401 L CB -0.940 40.829 42.059 -0.483 0.000 0.901 401 L HN 0.078 nan 8.230 nan 0.000 0.433 402 D N -0.344 119.965 120.400 -0.151 0.000 2.117 402 D HA -0.152 4.539 4.640 0.085 0.000 0.197 402 D C 2.175 178.441 176.300 -0.058 0.000 0.987 402 D CA 1.663 55.630 54.000 -0.054 0.000 0.829 402 D CB -0.247 40.526 40.800 -0.045 0.000 0.961 402 D HN 0.230 nan 8.370 nan 0.000 0.460 403 T N 0.852 115.329 114.554 -0.128 0.000 2.720 403 T HA -0.134 4.267 4.350 0.085 0.000 0.268 403 T C 2.020 176.623 174.700 -0.161 0.000 1.037 403 T CA 1.048 63.082 62.100 -0.109 0.000 1.144 403 T CB -0.044 68.754 68.868 -0.117 0.000 0.864 403 T HN 0.153 nan 8.240 nan 0.000 0.444 404 R N -0.036 120.195 120.500 -0.448 0.000 2.096 404 R HA -0.048 4.344 4.340 0.085 0.000 0.235 404 R C 2.492 178.708 176.300 -0.139 0.000 1.127 404 R CA 1.117 56.865 56.100 -0.587 0.000 0.968 404 R CB -0.293 29.449 30.300 -0.929 0.000 0.861 404 R HN 0.503 nan 8.270 nan 0.000 0.440 405 H N 0.711 119.737 119.070 -0.074 0.000 2.389 405 H HA -0.053 4.554 4.556 0.085 0.000 0.299 405 H C 1.942 177.360 175.328 0.151 0.000 1.081 405 H CA 1.280 57.350 56.048 0.037 0.000 1.345 405 H CB 0.210 29.942 29.762 -0.049 0.000 1.393 405 H HN 0.363 nan 8.280 nan 0.000 0.520 406 Q N -0.396 119.513 119.800 0.180 0.000 2.230 406 Q HA 0.010 4.401 4.340 0.085 0.000 0.202 406 Q C 1.159 177.182 176.000 0.039 0.000 0.963 406 Q CA 0.705 56.571 55.803 0.106 0.000 0.866 406 Q CB 0.441 29.215 28.738 0.059 0.000 0.931 406 Q HN 0.597 nan 8.270 nan 0.000 0.452 407 G N 1.026 109.886 108.800 0.099 0.000 2.149 407 G HA2 -0.219 3.793 3.960 0.085 0.000 0.235 407 G HA3 -0.219 3.793 3.960 0.085 0.000 0.235 407 G C 0.292 175.195 174.900 0.006 0.000 1.018 407 G CA 0.394 45.427 45.100 -0.112 0.000 0.728 407 G HN 0.303 nan 8.290 nan 0.000 0.508 408 T N 0.551 115.222 114.554 0.194 0.000 3.500 408 T HA 0.499 4.900 4.350 0.085 0.000 0.244 408 T C 0.104 174.957 174.700 0.256 0.000 0.962 408 T CA 0.861 63.048 62.100 0.144 0.000 0.932 408 T CB -0.668 68.256 68.868 0.094 0.000 1.096 408 T HN 1.219 nan 8.240 nan 0.000 0.617 409 F N -2.192 117.726 119.950 -0.054 0.000 2.831 409 F HA 0.670 5.249 4.527 0.086 0.000 0.318 409 F C -0.769 174.999 175.800 -0.053 0.000 1.174 409 F CA -1.414 56.565 58.000 -0.035 0.000 0.918 409 F CB 0.668 39.637 39.000 -0.052 0.000 1.364 409 F HN -0.254 nan 8.300 nan 0.000 0.475 410 D N 0.314 120.686 120.400 -0.047 0.000 3.032 410 D HA 0.319 5.010 4.640 0.085 0.000 0.280 410 D C -0.405 175.587 176.300 -0.514 0.000 1.381 410 D CA 1.107 54.912 54.000 -0.325 0.000 1.068 410 D CB 0.674 41.491 40.800 0.029 0.000 1.148 410 D HN 0.238 nan 8.370 nan 0.000 0.401 411 V N 0.409 120.305 119.914 -0.030 0.000 2.789 411 V HA 0.777 4.948 4.120 0.085 0.000 0.311 411 V C -0.786 175.526 176.094 0.363 0.000 1.073 411 V CA -0.888 61.478 62.300 0.109 0.000 0.921 411 V CB 1.911 33.777 31.823 0.072 0.000 1.009 411 V HN 0.342 nan 8.190 nan 0.000 0.426 412 A N 3.585 126.592 122.820 0.312 0.000 2.475 412 A HA 0.797 5.168 4.320 0.085 0.000 0.301 412 A C -0.409 177.291 177.584 0.193 0.000 1.059 412 A CA -0.776 51.375 52.037 0.190 0.000 0.710 412 A CB 1.761 20.614 19.000 -0.244 0.000 1.288 412 A HN 0.750 nan 8.150 nan 0.000 0.408 413 R N 1.031 121.680 120.500 0.248 0.000 2.679 413 R HA 0.506 4.897 4.340 0.085 0.000 0.268 413 R C -0.366 175.743 176.300 -0.318 0.000 1.044 413 R CA 1.076 57.113 56.100 -0.105 0.000 1.105 413 R CB 0.501 30.765 30.300 -0.060 0.000 0.989 413 R HN 1.404 nan 8.270 nan 0.000 0.447 414 A N 1.658 123.997 122.820 -0.802 0.000 2.612 414 A HA 0.675 5.046 4.320 0.085 0.000 0.293 414 A C -1.072 176.003 177.584 -0.848 0.000 1.075 414 A CA -0.156 51.401 52.037 -0.800 0.000 0.680 414 A CB 1.868 20.127 19.000 -1.234 0.000 1.279 414 A HN 0.829 nan 8.150 nan 0.000 0.411 415 G N -0.426 108.178 108.800 -0.326 0.000 2.696 415 G HA2 0.607 4.618 3.960 0.085 0.000 0.295 415 G HA3 0.607 4.618 3.960 0.085 0.000 0.295 415 G C -1.607 173.468 174.900 0.293 0.000 1.398 415 G CA -0.303 44.812 45.100 0.027 0.000 0.920 415 G HN 1.043 nan 8.290 nan 0.000 0.492 416 W N 1.543 122.902 121.300 0.099 0.000 2.900 416 W HA 0.517 5.230 4.660 0.089 0.000 0.336 416 W C -1.448 174.869 176.519 -0.336 0.000 1.064 416 W CA -0.889 56.383 57.345 -0.121 0.000 1.237 416 W CB 2.006 31.319 29.460 -0.245 0.000 1.391 416 W HN 0.582 nan 8.180 nan 0.000 0.468 417 c N 4.042 122.061 118.600 -0.968 0.000 2.382 417 c HA 0.684 5.306 4.570 0.085 0.000 0.327 417 c C 0.927 174.454 174.090 -0.939 0.000 1.250 417 c CA -0.473 55.383 56.329 -0.788 0.000 1.707 417 c CB 0.620 42.741 42.510 -0.648 0.000 2.272 417 c HN 0.693 nan 8.230 nan 0.000 0.506 418 A N 2.175 124.709 122.820 -0.476 0.000 2.520 418 A HA 0.165 4.537 4.320 0.085 0.000 0.235 418 A C 0.852 178.279 177.584 -0.263 0.000 1.065 418 A CA 0.441 52.284 52.037 -0.323 0.000 0.764 418 A CB 0.196 19.158 19.000 -0.064 0.000 1.002 418 A HN 0.932 nan 8.150 nan 0.000 0.502 419 D N -0.810 119.490 120.400 -0.168 0.000 2.338 419 D HA 0.165 4.857 4.640 0.085 0.000 0.208 419 D C -0.343 176.091 176.300 0.224 0.000 0.997 419 D CA 1.417 55.453 54.000 0.060 0.000 0.880 419 D CB 0.200 41.085 40.800 0.142 0.000 0.980 419 D HN 0.673 nan 8.370 nan 0.000 0.509 420 Y N -1.493 118.838 120.300 0.050 0.000 2.544 420 Y HA 0.475 5.074 4.550 0.083 0.000 0.342 420 Y C -0.653 175.237 175.900 -0.016 0.000 1.062 420 Y CA -1.577 56.534 58.100 0.018 0.000 1.023 420 Y CB 0.392 38.851 38.460 -0.001 0.000 1.308 420 Y HN -0.404 nan 8.280 nan 0.000 0.457 421 N N 2.977 121.718 118.700 0.068 0.000 2.739 421 N HA 0.190 4.982 4.740 0.085 0.000 0.266 421 N C -1.125 174.344 175.510 -0.067 0.000 1.168 421 N CA 0.413 53.447 53.050 -0.028 0.000 1.055 421 N CB -0.226 38.275 38.487 0.023 0.000 1.393 421 N HN 0.768 nan 8.380 nan 0.000 0.514 422 E N 2.321 122.395 120.200 -0.210 0.000 2.400 422 E HA 0.212 4.613 4.350 0.085 0.000 0.285 422 E C -2.354 173.991 176.600 -0.425 0.000 1.005 422 E CA -1.425 54.805 56.400 -0.283 0.000 0.816 422 E CB 1.791 31.320 29.700 -0.285 0.000 1.220 422 E HN 0.072 nan 8.360 nan 0.000 0.426 423 P HA -0.160 nan 4.420 nan 0.000 0.217 423 P C 1.221 178.174 177.300 -0.578 0.000 1.148 423 P CA 2.199 64.924 63.100 -0.624 0.000 0.828 423 P CB 0.028 31.159 31.700 -0.949 0.000 0.783 424 T N -4.376 109.824 114.554 -0.590 0.000 2.929 424 T HA -0.108 4.293 4.350 0.085 0.000 0.271 424 T C 1.987 176.491 174.700 -0.326 0.000 1.085 424 T CA 1.331 63.233 62.100 -0.331 0.000 1.125 424 T CB -1.179 67.645 68.868 -0.074 0.000 0.874 424 T HN 0.004 nan 8.240 nan 0.000 0.494 425 S N -0.085 115.278 115.700 -0.562 0.000 2.400 425 S HA -0.023 4.498 4.470 0.085 0.000 0.232 425 S C 1.365 175.813 174.600 -0.255 0.000 1.025 425 S CA 0.875 58.684 58.200 -0.652 0.000 0.993 425 S CB -0.560 62.017 63.200 -1.039 0.000 0.808 425 S HN 0.579 nan 8.310 nan 0.000 0.478 426 F N 1.021 120.762 119.950 -0.349 0.000 2.164 426 F HA 0.279 4.856 4.527 0.083 0.000 0.287 426 F C 2.030 177.635 175.800 -0.325 0.000 1.086 426 F CA 0.712 58.443 58.000 -0.449 0.000 1.249 426 F CB -0.532 38.111 39.000 -0.595 0.000 1.059 426 F HN 0.100 nan 8.300 nan 0.000 0.490 427 L N 0.081 121.294 121.223 -0.017 0.000 2.127 427 L HA -0.256 4.136 4.340 0.085 0.000 0.211 427 L C 1.903 178.823 176.870 0.084 0.000 1.089 427 L CA 0.991 55.909 54.840 0.130 0.000 0.757 427 L CB -0.739 41.354 42.059 0.057 0.000 0.899 427 L HN 0.166 nan 8.230 nan 0.000 0.434 428 N N -0.417 118.171 118.700 -0.186 0.000 2.364 428 N HA -0.140 4.651 4.740 0.085 0.000 0.183 428 N C 1.879 177.228 175.510 -0.270 0.000 1.022 428 N CA 1.732 54.578 53.050 -0.340 0.000 0.883 428 N CB -0.403 37.463 38.487 -1.035 0.000 0.965 428 N HN 0.468 nan 8.380 nan 0.000 0.438 429 T N -2.539 111.832 114.554 -0.306 0.000 3.118 429 T HA 0.074 4.476 4.350 0.085 0.000 0.260 429 T C 1.359 175.934 174.700 -0.210 0.000 1.139 429 T CA 0.505 62.420 62.100 -0.308 0.000 1.085 429 T CB 0.017 68.445 68.868 -0.733 0.000 0.934 429 T HN -0.027 nan 8.240 nan 0.000 0.518 430 M N 0.664 120.201 119.600 -0.105 0.000 2.371 430 M HA 0.428 4.959 4.480 0.085 0.000 0.246 430 M C 0.235 176.557 176.300 0.036 0.000 1.103 430 M CA -0.178 55.018 55.300 -0.172 0.000 1.010 430 M CB -0.388 31.888 32.600 -0.539 0.000 1.457 430 M HN 0.284 nan 8.290 nan 0.000 0.486 431 L N 0.253 121.579 121.223 0.172 0.000 2.485 431 L HA 0.031 4.422 4.340 0.085 0.000 0.275 431 L C 1.768 178.695 176.870 0.095 0.000 1.207 431 L CA -0.261 54.712 54.840 0.221 0.000 0.855 431 L CB 0.467 42.640 42.059 0.190 0.000 1.114 431 L HN 0.196 nan 8.230 nan 0.000 0.485 432 S N 1.114 116.854 115.700 0.066 0.000 2.372 432 S HA -0.210 4.311 4.470 0.085 0.000 0.227 432 S C 1.122 175.726 174.600 0.007 0.000 1.044 432 S CA 1.980 60.178 58.200 -0.003 0.000 1.050 432 S CB -0.273 62.918 63.200 -0.014 0.000 0.901 432 S HN 0.920 nan 8.310 nan 0.000 0.447 433 D N 0.436 120.856 120.400 0.033 0.000 2.342 433 D HA 0.166 4.857 4.640 0.085 0.000 0.221 433 D C 0.282 176.603 176.300 0.036 0.000 1.101 433 D CA -0.065 53.952 54.000 0.029 0.000 0.837 433 D CB -0.324 40.496 40.800 0.033 0.000 0.938 433 D HN 0.155 nan 8.370 nan 0.000 0.508 434 S N 0.234 115.963 115.700 0.048 0.000 2.549 434 S HA 0.138 4.660 4.470 0.085 0.000 0.279 434 S C 1.539 176.145 174.600 0.010 0.000 1.321 434 S CA 0.039 58.281 58.200 0.070 0.000 1.054 434 S CB 0.830 64.092 63.200 0.104 0.000 0.899 434 S HN 0.288 nan 8.310 nan 0.000 0.497 435 S N 3.857 119.552 115.700 -0.008 0.000 2.474 435 S HA -0.080 4.441 4.470 0.085 0.000 0.235 435 S C 0.996 175.596 174.600 -0.001 0.000 0.997 435 S CA 1.113 59.298 58.200 -0.026 0.000 0.949 435 S CB -0.620 62.538 63.200 -0.070 0.000 0.766 435 S HN 0.856 nan 8.310 nan 0.000 0.517 436 N N 1.628 120.297 118.700 -0.051 0.000 2.336 436 N HA 0.122 4.914 4.740 0.085 0.000 0.189 436 N C 0.089 175.472 175.510 -0.210 0.000 1.113 436 N CA -0.046 52.932 53.050 -0.120 0.000 0.858 436 N CB -0.062 38.284 38.487 -0.235 0.000 0.970 436 N HN 0.252 nan 8.380 nan 0.000 0.471 437 N N 1.331 119.919 118.700 -0.186 0.000 2.466 437 N HA -0.006 4.785 4.740 0.085 0.000 0.263 437 N C 0.294 175.539 175.510 -0.441 0.000 1.178 437 N CA 0.287 53.173 53.050 -0.273 0.000 0.983 437 N CB 0.323 38.696 38.487 -0.190 0.000 1.331 437 N HN 0.199 nan 8.380 nan 0.000 0.500 438 T N -0.854 113.426 114.554 -0.457 0.000 3.107 438 T HA 0.208 4.609 4.350 0.085 0.000 0.249 438 T C 1.453 175.995 174.700 -0.264 0.000 1.096 438 T CA 0.161 61.944 62.100 -0.529 0.000 1.012 438 T CB 0.286 68.830 68.868 -0.540 0.000 0.977 438 T HN 0.289 nan 8.240 nan 0.000 0.527 439 A N 1.081 123.767 122.820 -0.223 0.000 2.123 439 A HA 0.183 4.554 4.320 0.085 0.000 0.214 439 A C 0.820 178.431 177.584 0.045 0.000 1.152 439 A CA 0.433 52.446 52.037 -0.040 0.000 0.728 439 A CB -0.838 18.080 19.000 -0.136 0.000 0.814 439 A HN 0.704 nan 8.150 nan 0.000 0.464 440 H N -3.496 115.568 119.070 -0.010 0.000 2.770 440 H HA -0.233 4.375 4.556 0.086 0.000 0.309 440 H C -0.310 175.025 175.328 0.011 0.000 1.206 440 H CA 1.032 57.073 56.048 -0.013 0.000 1.147 440 H CB -2.308 27.431 29.762 -0.038 0.000 1.422 440 H HN 0.695 nan 8.280 nan 0.000 0.420 441 Y N 1.258 121.499 120.300 -0.098 0.000 2.320 441 Y HA 0.466 5.068 4.550 0.086 0.000 0.334 441 Y C -0.257 175.581 175.900 -0.104 0.000 1.055 441 Y CA -0.894 57.132 58.100 -0.122 0.000 1.143 441 Y CB 0.913 39.242 38.460 -0.219 0.000 1.193 441 Y HN 0.098 nan 8.280 nan 0.000 0.477 442 K N 4.695 124.776 120.400 -0.532 0.000 2.640 442 K HA 0.362 4.734 4.320 0.085 0.000 0.245 442 K C -1.407 174.852 176.600 -0.569 0.000 0.962 442 K CA -0.571 55.454 56.287 -0.437 0.000 0.896 442 K CB 1.583 33.970 32.500 -0.188 0.000 1.147 442 K HN 0.545 nan 8.250 nan 0.000 0.445 443 S N 3.647 119.002 115.700 -0.575 0.000 2.756 443 S HA 0.371 4.892 4.470 0.085 0.000 0.303 443 S C -2.181 172.382 174.600 -0.063 0.000 1.135 443 S CA -1.774 56.227 58.200 -0.330 0.000 1.066 443 S CB 1.044 64.025 63.200 -0.364 0.000 1.008 443 S HN 0.232 nan 8.310 nan 0.000 0.482 444 P HA -0.054 nan 4.420 nan 0.000 0.215 444 P C 1.422 178.747 177.300 0.043 0.000 1.153 444 P CA 1.539 64.643 63.100 0.008 0.000 0.853 444 P CB 0.096 31.794 31.700 -0.003 0.000 0.788 445 A N -1.210 121.644 122.820 0.058 0.000 1.898 445 A HA -0.185 4.187 4.320 0.085 0.000 0.216 445 A C 2.141 179.796 177.584 0.117 0.000 1.181 445 A CA 1.313 53.396 52.037 0.077 0.000 0.620 445 A CB -1.804 17.246 19.000 0.082 0.000 0.819 445 A HN 0.154 nan 8.150 nan 0.000 0.442 446 F N 1.336 121.311 119.950 0.043 0.000 2.102 446 F HA -0.200 4.378 4.527 0.085 0.000 0.298 446 F C 1.792 177.630 175.800 0.064 0.000 1.105 446 F CA 2.148 60.200 58.000 0.086 0.000 1.239 446 F CB -0.162 38.945 39.000 0.179 0.000 0.991 446 F HN 0.240 nan 8.300 nan 0.000 0.474 447 D N 0.380 120.884 120.400 0.174 0.000 2.123 447 D HA -0.212 4.480 4.640 0.085 0.000 0.196 447 D C 2.106 178.398 176.300 -0.013 0.000 0.992 447 D CA 1.469 55.518 54.000 0.081 0.000 0.833 447 D CB -0.436 40.423 40.800 0.099 0.000 0.954 447 D HN 0.181 nan 8.370 nan 0.000 0.455 448 K N 0.906 121.302 120.400 -0.007 0.000 2.097 448 K HA -0.034 4.337 4.320 0.085 0.000 0.205 448 K C 2.100 178.669 176.600 -0.053 0.000 1.050 448 K CA 0.753 57.030 56.287 -0.017 0.000 0.938 448 K CB -0.551 31.947 32.500 -0.002 0.000 0.718 448 K HN 0.140 nan 8.250 nan 0.000 0.442 449 L N 0.257 121.420 121.223 -0.100 0.000 2.046 449 L HA -0.155 4.236 4.340 0.085 0.000 0.208 449 L C 2.119 178.907 176.870 -0.137 0.000 1.077 449 L CA 0.718 55.483 54.840 -0.126 0.000 0.747 449 L CB -0.436 41.526 42.059 -0.162 0.000 0.896 449 L HN 0.162 nan 8.230 nan 0.000 0.432 450 I N 0.053 120.505 120.570 -0.197 0.000 2.353 450 I HA -0.164 4.057 4.170 0.085 0.000 0.248 450 I C 2.820 178.940 176.117 0.006 0.000 1.119 450 I CA 1.358 62.600 61.300 -0.095 0.000 1.417 450 I CB -1.554 36.355 38.000 -0.152 0.000 1.078 450 I HN 0.145 nan 8.210 nan 0.000 0.421 451 A N 0.682 123.504 122.820 0.003 0.000 1.933 451 A HA -0.209 4.162 4.320 0.085 0.000 0.218 451 A C 1.890 179.475 177.584 0.003 0.000 1.175 451 A CA 1.818 53.875 52.037 0.033 0.000 0.628 451 A CB -0.572 18.447 19.000 0.032 0.000 0.814 451 A HN 0.342 nan 8.150 nan 0.000 0.444 452 D N -0.433 119.955 120.400 -0.020 0.000 2.310 452 D HA -0.092 4.599 4.640 0.085 0.000 0.212 452 D C 2.192 178.464 176.300 -0.046 0.000 0.965 452 D CA 1.658 55.637 54.000 -0.034 0.000 0.879 452 D CB -0.465 40.309 40.800 -0.044 0.000 0.921 452 D HN 0.663 nan 8.370 nan 0.000 0.510 453 T N -1.506 113.024 114.554 -0.041 0.000 2.915 453 T HA -0.074 4.327 4.350 0.085 0.000 0.269 453 T C 1.775 176.468 174.700 -0.012 0.000 1.071 453 T CA 0.609 62.670 62.100 -0.064 0.000 1.132 453 T CB -0.203 68.644 68.868 -0.034 0.000 0.878 453 T HN 0.140 nan 8.240 nan 0.000 0.479 454 L N -0.742 120.480 121.223 -0.001 0.000 2.818 454 L HA 0.441 4.832 4.340 0.085 0.000 0.243 454 L C 2.015 178.855 176.870 -0.049 0.000 1.185 454 L CA -0.037 54.787 54.840 -0.027 0.000 0.988 454 L CB 0.214 42.218 42.059 -0.092 0.000 1.292 454 L HN 0.094 nan 8.230 nan 0.000 0.519 455 K N -0.346 120.031 120.400 -0.038 0.000 2.361 455 K HA 0.098 4.470 4.320 0.085 0.000 0.194 455 K C 0.298 176.884 176.600 -0.023 0.000 1.032 455 K CA 0.133 56.401 56.287 -0.032 0.000 1.048 455 K CB 0.766 33.249 32.500 -0.028 0.000 0.842 455 K HN 0.142 nan 8.250 nan 0.000 0.526 456 V N -2.300 117.598 119.914 -0.027 0.000 2.713 456 V HA 0.719 4.891 4.120 0.085 0.000 0.307 456 V C -0.071 176.016 176.094 -0.011 0.000 1.052 456 V CA -1.005 61.281 62.300 -0.023 0.000 0.967 456 V CB 1.654 33.454 31.823 -0.039 0.000 1.019 456 V HN -0.078 nan 8.190 nan 0.000 0.459 457 A N 1.999 124.820 122.820 0.001 0.000 3.041 457 A HA 0.649 5.021 4.320 0.085 0.000 0.307 457 A C -0.198 177.394 177.584 0.013 0.000 1.116 457 A CA -0.038 52.009 52.037 0.017 0.000 1.001 457 A CB -0.879 18.147 19.000 0.043 0.000 1.112 457 A HN 0.991 nan 8.150 nan 0.000 0.556 458 D N -1.063 119.335 120.400 -0.004 0.000 2.977 458 D HA 0.329 5.020 4.640 0.085 0.000 0.220 458 D C -0.290 175.996 176.300 -0.023 0.000 1.267 458 D CA -0.316 53.680 54.000 -0.006 0.000 0.884 458 D CB 1.601 42.394 40.800 -0.011 0.000 1.667 458 D HN -0.025 nan 8.370 nan 0.000 0.536 459 D N 1.013 121.408 120.400 -0.007 0.000 2.234 459 D HA -0.032 4.659 4.640 0.085 0.000 0.205 459 D C 1.510 177.788 176.300 -0.037 0.000 0.962 459 D CA 1.079 55.072 54.000 -0.012 0.000 0.855 459 D CB 0.291 41.105 40.800 0.023 0.000 0.951 459 D HN 0.428 nan 8.370 nan 0.000 0.500 460 T N 0.565 115.101 114.554 -0.029 0.000 2.777 460 T HA -0.120 4.281 4.350 0.085 0.000 0.266 460 T C 1.892 176.553 174.700 -0.065 0.000 1.040 460 T CA 0.937 63.016 62.100 -0.034 0.000 1.141 460 T CB -0.141 68.716 68.868 -0.018 0.000 0.868 460 T HN 0.221 nan 8.240 nan 0.000 0.444 461 Q N 0.507 120.264 119.800 -0.072 0.000 2.084 461 Q HA -0.037 4.354 4.340 0.085 0.000 0.202 461 Q C 2.562 178.458 176.000 -0.174 0.000 0.978 461 Q CA 1.070 56.816 55.803 -0.095 0.000 0.844 461 Q CB -0.143 28.551 28.738 -0.073 0.000 0.898 461 Q HN 0.374 nan 8.270 nan 0.000 0.426 462 R N 0.109 120.477 120.500 -0.219 0.000 2.073 462 R HA -0.137 4.254 4.340 0.085 0.000 0.234 462 R C 2.574 178.467 176.300 -0.678 0.000 1.134 462 R CA 1.589 57.420 56.100 -0.449 0.000 0.952 462 R CB -0.303 29.803 30.300 -0.324 0.000 0.850 462 R HN 0.123 nan 8.270 nan 0.000 0.433 463 S N 0.153 115.660 115.700 -0.322 0.000 2.383 463 S HA -0.143 4.378 4.470 0.085 0.000 0.227 463 S C 1.616 176.158 174.600 -0.097 0.000 1.026 463 S CA 1.344 59.464 58.200 -0.133 0.000 0.981 463 S CB -0.039 63.154 63.200 -0.012 0.000 0.818 463 S HN 0.362 nan 8.310 nan 0.000 0.472 464 E N 0.316 120.448 120.200 -0.115 0.000 2.106 464 E HA -0.032 4.370 4.350 0.085 0.000 0.192 464 E C 2.048 178.601 176.600 -0.079 0.000 0.984 464 E CA 1.130 57.489 56.400 -0.069 0.000 0.806 464 E CB -0.157 29.508 29.700 -0.058 0.000 0.750 464 E HN 0.492 nan 8.360 nan 0.000 0.458 465 L N -0.036 121.093 121.223 -0.157 0.000 2.093 465 L HA -0.184 4.207 4.340 0.085 0.000 0.208 465 L C 2.190 179.027 176.870 -0.055 0.000 1.085 465 L CA 0.833 55.589 54.840 -0.139 0.000 0.755 465 L CB -0.344 41.591 42.059 -0.207 0.000 0.904 465 L HN 0.191 nan 8.230 nan 0.000 0.435 466 Y N -0.052 120.214 120.300 -0.056 0.000 2.181 466 Y HA -0.208 4.393 4.550 0.086 0.000 0.288 466 Y C 2.650 178.526 175.900 -0.041 0.000 1.146 466 Y CA 0.628 58.690 58.100 -0.063 0.000 1.164 466 Y CB -1.273 37.146 38.460 -0.068 0.000 0.982 466 Y HN 0.123 nan 8.280 nan 0.000 0.515 467 A N 0.309 123.199 122.820 0.117 0.000 1.902 467 A HA -0.175 4.196 4.320 0.085 0.000 0.217 467 A C 2.257 179.877 177.584 0.060 0.000 1.181 467 A CA 1.692 53.770 52.037 0.067 0.000 0.623 467 A CB -0.392 18.629 19.000 0.036 0.000 0.818 467 A HN 0.162 nan 8.150 nan 0.000 0.443 468 K N 0.126 120.551 120.400 0.040 0.000 2.097 468 K HA 0.021 4.392 4.320 0.085 0.000 0.205 468 K C 2.158 178.798 176.600 0.067 0.000 1.050 468 K CA 1.333 57.644 56.287 0.040 0.000 0.938 468 K CB -1.027 31.480 32.500 0.012 0.000 0.718 468 K HN 0.461 nan 8.250 nan 0.000 0.442 469 A N 1.697 124.548 122.820 0.053 0.000 1.933 469 A HA -0.150 4.221 4.320 0.085 0.000 0.218 469 A C 2.050 179.797 177.584 0.272 0.000 1.175 469 A CA 1.317 53.394 52.037 0.066 0.000 0.628 469 A CB -0.210 18.696 19.000 -0.156 0.000 0.814 469 A HN 0.202 nan 8.150 nan 0.000 0.444 470 E N -0.028 120.286 120.200 0.190 0.000 2.106 470 E HA -0.193 4.208 4.350 0.085 0.000 0.192 470 E C 2.164 178.849 176.600 0.141 0.000 0.984 470 E CA 1.229 57.729 56.400 0.166 0.000 0.806 470 E CB -0.335 29.422 29.700 0.096 0.000 0.750 470 E HN 0.775 nan 8.360 nan 0.000 0.458 471 Q N 0.243 120.116 119.800 0.121 0.000 2.124 471 Q HA -0.209 4.182 4.340 0.085 0.000 0.202 471 Q C 2.179 178.258 176.000 0.131 0.000 0.977 471 Q CA 1.363 57.230 55.803 0.107 0.000 0.850 471 Q CB -0.073 28.712 28.738 0.077 0.000 0.901 471 Q HN 0.092 nan 8.270 nan 0.000 0.429 472 Q N 0.834 120.738 119.800 0.173 0.000 2.079 472 Q HA -0.159 4.232 4.340 0.085 0.000 0.200 472 Q C 1.816 177.931 176.000 0.191 0.000 0.974 472 Q CA 1.137 57.066 55.803 0.210 0.000 0.840 472 Q CB -0.273 28.647 28.738 0.303 0.000 0.898 472 Q HN 0.311 nan 8.270 nan 0.000 0.430 473 L N 0.603 121.922 121.223 0.160 0.000 2.046 473 L HA -0.159 4.233 4.340 0.085 0.000 0.208 473 L C 1.822 178.652 176.870 -0.067 0.000 1.077 473 L CA 2.424 57.205 54.840 -0.099 0.000 0.747 473 L CB -0.716 41.230 42.059 -0.189 0.000 0.896 473 L HN 0.402 nan 8.230 nan 0.000 0.432 474 D N -0.909 119.519 120.400 0.047 0.000 2.117 474 D HA -0.247 4.444 4.640 0.085 0.000 0.198 474 D C 2.254 178.623 176.300 0.114 0.000 0.982 474 D CA 1.302 55.372 54.000 0.117 0.000 0.828 474 D CB -0.056 40.868 40.800 0.206 0.000 0.967 474 D HN 0.227 nan 8.370 nan 0.000 0.464 475 K N -0.152 120.314 120.400 0.111 0.000 2.063 475 K HA -0.156 4.215 4.320 0.085 0.000 0.208 475 K C 0.914 177.560 176.600 0.076 0.000 1.048 475 K CA 1.657 58.005 56.287 0.102 0.000 0.928 475 K CB 0.020 32.584 32.500 0.106 0.000 0.713 475 K HN 0.164 nan 8.250 nan 0.000 0.442 476 D N 0.141 120.585 120.400 0.075 0.000 2.355 476 D HA 0.006 4.697 4.640 0.085 0.000 0.218 476 D C -0.159 176.149 176.300 0.013 0.000 1.004 476 D CA 0.378 54.423 54.000 0.076 0.000 0.880 476 D CB 0.307 41.218 40.800 0.186 0.000 0.911 476 D HN 0.026 nan 8.370 nan 0.000 0.528 477 S N -0.024 115.660 115.700 -0.026 0.000 3.628 477 S HA -0.247 4.275 4.470 0.085 0.000 0.373 477 S C 1.404 175.939 174.600 -0.109 0.000 0.968 477 S CA 0.293 58.455 58.200 -0.063 0.000 1.215 477 S CB -1.219 61.946 63.200 -0.058 0.000 0.912 477 S HN 0.526 nan 8.310 nan 0.000 0.495 478 A N 0.306 122.982 122.820 -0.240 0.000 1.933 478 A HA 0.265 4.636 4.320 0.085 0.000 0.218 478 A C 0.997 178.423 177.584 -0.263 0.000 1.175 478 A CA 1.489 53.296 52.037 -0.384 0.000 0.628 478 A CB -0.401 18.010 19.000 -0.982 0.000 0.814 478 A HN 1.082 nan 8.150 nan 0.000 0.444 479 I N -5.691 114.748 120.570 -0.219 0.000 3.322 479 I HA 0.668 4.889 4.170 0.085 0.000 0.313 479 I C -1.092 175.042 176.117 0.029 0.000 1.129 479 I CA -1.282 59.969 61.300 -0.083 0.000 0.963 479 I CB 2.300 40.187 38.000 -0.188 0.000 1.273 479 I HN -0.259 nan 8.210 nan 0.000 0.473 480 V N 2.645 122.661 119.914 0.170 0.000 2.266 480 V HA 0.397 4.568 4.120 0.085 0.000 0.271 480 V C -2.386 173.872 176.094 0.273 0.000 1.032 480 V CA -1.506 60.936 62.300 0.237 0.000 0.806 480 V CB 0.605 32.655 31.823 0.379 0.000 1.052 480 V HN 0.592 nan 8.190 nan 0.000 0.449 481 P HA 0.179 nan 4.420 nan 0.000 0.268 481 P C 0.455 177.869 177.300 0.191 0.000 1.204 481 P CA 0.372 63.572 63.100 0.168 0.000 0.768 481 P CB 1.574 33.334 31.700 0.101 0.000 0.842 482 V N 2.553 122.539 119.914 0.121 0.000 3.001 482 V HA 0.206 4.377 4.120 0.085 0.000 0.228 482 V C -0.075 176.066 176.094 0.079 0.000 1.204 482 V CA 1.006 63.383 62.300 0.129 0.000 1.247 482 V CB -0.557 31.343 31.823 0.129 0.000 1.093 482 V HN 0.558 nan 8.190 nan 0.000 0.504 483 Y N -2.158 118.119 120.300 -0.039 0.000 2.609 483 Y HA 0.751 5.352 4.550 0.084 0.000 0.336 483 Y C -1.625 174.191 175.900 -0.140 0.000 1.129 483 Y CA -2.480 55.518 58.100 -0.169 0.000 1.040 483 Y CB 0.550 38.950 38.460 -0.101 0.000 1.310 483 Y HN 0.104 nan 8.280 nan 0.000 0.460 484 Y N 1.725 122.275 120.300 0.417 0.000 2.327 484 Y HA 0.397 4.998 4.550 0.086 0.000 0.336 484 Y C -0.372 175.863 175.900 0.558 0.000 1.035 484 Y CA -0.994 57.344 58.100 0.398 0.000 1.165 484 Y CB 0.108 38.755 38.460 0.313 0.000 1.181 484 Y HN 0.527 nan 8.280 nan 0.000 0.494 485 Y N 1.828 122.427 120.300 0.499 0.000 2.457 485 Y HA 0.311 4.912 4.550 0.085 0.000 0.341 485 Y C 0.575 176.667 175.900 0.320 0.000 1.240 485 Y CA -0.994 57.357 58.100 0.419 0.000 1.437 485 Y CB 0.338 38.998 38.460 0.335 0.000 1.328 485 Y HN 0.401 nan 8.280 nan 0.000 0.588 486 V N 0.154 120.292 119.914 0.373 0.000 2.769 486 V HA 0.516 4.687 4.120 0.085 0.000 0.312 486 V C -0.370 175.913 176.094 0.315 0.000 1.058 486 V CA -1.280 61.171 62.300 0.252 0.000 0.952 486 V CB 1.934 33.797 31.823 0.067 0.000 1.019 486 V HN 0.728 nan 8.190 nan 0.000 0.445 487 N N 2.464 121.265 118.700 0.168 0.000 2.558 487 N HA 0.589 5.380 4.740 0.085 0.000 0.233 487 N C -0.428 175.046 175.510 -0.060 0.000 1.038 487 N CA 0.111 53.122 53.050 -0.064 0.000 0.934 487 N CB 0.955 39.160 38.487 -0.470 0.000 1.175 487 N HN 1.175 nan 8.380 nan 0.000 0.512 488 A N 4.060 126.849 122.820 -0.052 0.000 2.303 488 A HA 0.817 5.189 4.320 0.085 0.000 0.320 488 A C -0.212 177.328 177.584 -0.074 0.000 1.192 488 A CA -0.665 51.348 52.037 -0.041 0.000 0.821 488 A CB 0.700 19.651 19.000 -0.081 0.000 1.188 488 A HN 0.808 nan 8.150 nan 0.000 0.492 489 R N 1.389 121.848 120.500 -0.068 0.000 2.733 489 R HA 0.754 5.146 4.340 0.085 0.000 0.272 489 R C -1.816 174.379 176.300 -0.176 0.000 1.029 489 R CA -0.963 55.053 56.100 -0.140 0.000 0.888 489 R CB 0.992 31.174 30.300 -0.196 0.000 1.251 489 R HN 0.412 nan 8.270 nan 0.000 0.464 490 L N 1.239 122.273 121.223 -0.314 0.000 2.317 490 L HA 0.718 5.110 4.340 0.085 0.000 0.281 490 L C -0.809 175.851 176.870 -0.351 0.000 1.024 490 L CA -1.345 53.212 54.840 -0.472 0.000 0.810 490 L CB 2.054 43.477 42.059 -1.060 0.000 1.240 490 L HN 0.341 nan 8.230 nan 0.000 0.427 491 V N 2.960 122.782 119.914 -0.153 0.000 2.525 491 V HA 0.325 4.497 4.120 0.085 0.000 0.299 491 V C -0.042 175.999 176.094 -0.089 0.000 1.034 491 V CA -1.125 61.129 62.300 -0.078 0.000 0.863 491 V CB 1.885 33.627 31.823 -0.134 0.000 0.999 491 V HN 0.605 nan 8.190 nan 0.000 0.423 492 K N 5.086 125.333 120.400 -0.255 0.000 2.380 492 K HA 0.176 4.547 4.320 0.085 0.000 0.267 492 K C -1.578 174.580 176.600 -0.737 0.000 0.990 492 K CA -1.486 54.325 56.287 -0.793 0.000 0.946 492 K CB 0.840 32.332 32.500 -1.679 0.000 0.937 492 K HN 0.302 nan 8.250 nan 0.000 0.491 493 P HA -0.111 nan 4.420 nan 0.000 0.222 493 P C 0.719 177.884 177.300 -0.224 0.000 1.147 493 P CA 1.189 64.080 63.100 -0.349 0.000 0.790 493 P CB -0.100 31.479 31.700 -0.202 0.000 0.780 494 W N -1.454 119.731 121.300 -0.193 0.000 3.256 494 W HA 0.342 5.053 4.660 0.085 0.000 0.269 494 W C -0.436 175.989 176.519 -0.156 0.000 1.310 494 W CA -0.290 56.938 57.345 -0.194 0.000 1.673 494 W CB -1.209 27.987 29.460 -0.440 0.000 1.115 494 W HN -0.387 nan 8.180 nan 0.000 0.686 495 V N 3.027 122.837 119.914 -0.174 0.000 2.368 495 V HA 0.631 4.802 4.120 0.085 0.000 0.266 495 V C 0.855 176.799 176.094 -0.249 0.000 1.045 495 V CA -0.352 61.856 62.300 -0.153 0.000 0.899 495 V CB 0.138 31.851 31.823 -0.183 0.000 1.006 495 V HN 0.197 nan 8.190 nan 0.000 0.470 496 G N 2.567 111.055 108.800 -0.521 0.000 2.437 496 G HA2 0.572 4.583 3.960 0.085 0.000 0.319 496 G HA3 0.572 4.583 3.960 0.085 0.000 0.319 496 G C 0.799 175.257 174.900 -0.737 0.000 1.158 496 G CA 0.116 44.706 45.100 -0.849 0.000 0.899 496 G HN 1.422 nan 8.290 nan 0.000 0.502 497 G N -1.186 107.442 108.800 -0.287 0.000 2.213 497 G HA2 -0.246 3.765 3.960 0.085 0.000 0.226 497 G HA3 -0.246 3.765 3.960 0.085 0.000 0.226 497 G C 0.113 175.067 174.900 0.090 0.000 0.992 497 G CA 0.518 45.622 45.100 0.006 0.000 0.632 497 G HN 1.175 nan 8.290 nan 0.000 0.511 498 Y N 3.052 123.308 120.300 -0.073 0.000 2.454 498 Y HA 0.490 5.106 4.550 0.109 0.000 0.345 498 Y C 1.754 177.632 175.900 -0.038 0.000 0.970 498 Y CA 0.446 58.516 58.100 -0.050 0.000 1.204 498 Y CB 1.152 39.565 38.460 -0.079 0.000 1.122 498 Y HN 0.264 nan 8.280 nan 0.000 0.514 499 T N 0.872 115.199 114.554 -0.378 0.000 2.896 499 T HA 0.139 4.540 4.350 0.085 0.000 0.263 499 T C 1.659 176.078 174.700 -0.467 0.000 1.050 499 T CA 0.943 62.853 62.100 -0.317 0.000 1.140 499 T CB -0.536 68.231 68.868 -0.170 0.000 0.877 499 T HN 1.308 nan 8.240 nan 0.000 0.457 500 G N 1.239 109.561 108.800 -0.796 0.000 2.176 500 G HA2 -0.247 3.764 3.960 0.085 0.000 0.253 500 G HA3 -0.247 3.764 3.960 0.085 0.000 0.253 500 G C 0.979 175.708 174.900 -0.284 0.000 0.979 500 G CA 0.436 45.191 45.100 -0.576 0.000 0.641 500 G HN 0.504 nan 8.290 nan 0.000 0.530 501 K N 0.316 120.578 120.400 -0.230 0.000 2.365 501 K HA 0.054 4.426 4.320 0.085 0.000 0.197 501 K C 0.536 177.075 176.600 -0.101 0.000 1.042 501 K CA 0.415 56.625 56.287 -0.128 0.000 0.987 501 K CB 0.141 32.584 32.500 -0.096 0.000 0.779 501 K HN 0.472 nan 8.250 nan 0.000 0.484 502 D N 2.049 122.384 120.400 -0.109 0.000 2.316 502 D HA 0.051 4.742 4.640 0.085 0.000 0.245 502 D C -1.678 174.622 176.300 0.001 0.000 1.171 502 D CA -2.271 51.699 54.000 -0.051 0.000 0.856 502 D CB 1.459 42.248 40.800 -0.020 0.000 1.090 502 D HN -0.095 nan 8.370 nan 0.000 0.476 503 P HA -0.031 nan 4.420 nan 0.000 0.233 503 P C 1.140 178.565 177.300 0.208 0.000 1.167 503 P CA 0.532 63.712 63.100 0.133 0.000 0.770 503 P CB 0.394 32.172 31.700 0.130 0.000 0.837 504 L N -1.251 120.057 121.223 0.143 0.000 2.554 504 L HA 0.168 4.559 4.340 0.085 0.000 0.225 504 L C 0.458 177.432 176.870 0.173 0.000 1.104 504 L CA 0.144 55.077 54.840 0.155 0.000 0.866 504 L CB -0.825 41.286 42.059 0.087 0.000 1.047 504 L HN -0.028 nan 8.230 nan 0.000 0.468 505 D N 1.540 121.998 120.400 0.096 0.000 2.699 505 D HA -0.195 4.496 4.640 0.085 0.000 0.239 505 D C -0.064 176.256 176.300 0.033 0.000 1.136 505 D CA 0.307 54.327 54.000 0.033 0.000 0.668 505 D CB -0.902 39.834 40.800 -0.107 0.000 1.060 505 D HN 0.134 nan 8.370 nan 0.000 0.429 506 N N 1.119 119.844 118.700 0.042 0.000 3.034 506 N HA 0.204 4.995 4.740 0.085 0.000 0.265 506 N C 0.298 175.773 175.510 -0.058 0.000 1.166 506 N CA -0.103 52.929 53.050 -0.030 0.000 1.081 506 N CB 0.041 38.550 38.487 0.036 0.000 1.378 506 N HN 0.482 nan 8.380 nan 0.000 0.520 507 I N 1.500 122.030 120.570 -0.066 0.000 2.634 507 I HA 0.039 4.260 4.170 0.085 0.000 0.284 507 I C -0.261 175.749 176.117 -0.178 0.000 1.124 507 I CA -0.044 61.260 61.300 0.007 0.000 1.417 507 I CB 0.310 38.327 38.000 0.027 0.000 1.396 507 I HN 0.188 nan 8.210 nan 0.000 0.571 508 Y N 4.127 124.477 120.300 0.084 0.000 2.331 508 Y HA 0.243 4.840 4.550 0.080 0.000 0.334 508 Y C 0.764 176.719 175.900 0.091 0.000 0.960 508 Y CA -0.743 57.406 58.100 0.082 0.000 1.130 508 Y CB 1.526 40.039 38.460 0.089 0.000 1.164 508 Y HN 0.252 nan 8.280 nan 0.000 0.458 509 V N 3.148 123.174 119.914 0.187 0.000 2.720 509 V HA -0.279 3.892 4.120 0.085 0.000 0.256 509 V C 2.106 178.363 176.094 0.272 0.000 1.082 509 V CA 2.058 64.430 62.300 0.120 0.000 1.101 509 V CB -0.521 31.223 31.823 -0.132 0.000 0.693 509 V HN 0.810 nan 8.190 nan 0.000 0.479 510 K N 0.448 121.079 120.400 0.384 0.000 2.360 510 K HA -0.184 4.187 4.320 0.085 0.000 0.201 510 K C 1.304 178.021 176.600 0.194 0.000 1.046 510 K CA 1.781 58.226 56.287 0.263 0.000 0.940 510 K CB -0.311 32.260 32.500 0.117 0.000 0.748 510 K HN 0.418 nan 8.250 nan 0.000 0.465 511 N N 0.623 119.448 118.700 0.209 0.000 2.353 511 N HA 0.142 4.933 4.740 0.085 0.000 0.185 511 N C 0.263 175.904 175.510 0.218 0.000 1.098 511 N CA 0.288 53.456 53.050 0.197 0.000 0.872 511 N CB 0.181 38.787 38.487 0.198 0.000 0.970 511 N HN 0.193 nan 8.380 nan 0.000 0.467 512 L N 0.208 121.543 121.223 0.188 0.000 2.400 512 L HA 0.464 4.855 4.340 0.085 0.000 0.264 512 L C -0.612 176.386 176.870 0.213 0.000 1.061 512 L CA -1.174 53.734 54.840 0.113 0.000 0.799 512 L CB 0.812 42.886 42.059 0.027 0.000 1.240 512 L HN 0.078 nan 8.230 nan 0.000 0.461 513 Y N -1.400 118.955 120.300 0.092 0.000 2.609 513 Y HA 0.626 5.216 4.550 0.068 0.000 0.336 513 Y C -1.233 174.735 175.900 0.113 0.000 1.129 513 Y CA -1.444 56.711 58.100 0.092 0.000 1.040 513 Y CB 0.933 39.441 38.460 0.081 0.000 1.310 513 Y HN 0.108 nan 8.280 nan 0.000 0.460 514 I N 4.012 124.745 120.570 0.272 0.000 2.321 514 I HA 0.353 4.574 4.170 0.085 0.000 0.291 514 I C -0.014 176.283 176.117 0.299 0.000 0.998 514 I CA -1.084 60.363 61.300 0.245 0.000 1.227 514 I CB 1.009 39.129 38.000 0.199 0.000 1.368 514 I HN 0.648 nan 8.210 nan 0.000 0.466 515 I N 5.143 125.907 120.570 0.324 0.000 2.575 515 I HA 0.068 4.289 4.170 0.085 0.000 0.285 515 I C 0.802 177.094 176.117 0.290 0.000 1.085 515 I CA -0.599 60.885 61.300 0.306 0.000 1.403 515 I CB 0.457 38.631 38.000 0.289 0.000 1.409 515 I HN 0.413 nan 8.210 nan 0.000 0.557 516 K N 6.855 127.363 120.400 0.179 0.000 2.489 516 K HA 0.057 4.428 4.320 0.085 0.000 0.278 516 K C -0.341 176.345 176.600 0.144 0.000 1.000 516 K CA 0.724 57.064 56.287 0.088 0.000 1.012 516 K CB 0.164 32.682 32.500 0.030 0.000 0.903 516 K HN 0.721 nan 8.250 nan 0.000 0.485 517 H N 0.000 119.011 119.070 -0.098 0.000 2.539 517 H HA 0.000 4.608 4.556 0.086 0.000 0.296 517 H CA 0.000 55.978 56.048 -0.117 0.000 1.023 517 H CB 0.000 29.674 29.762 -0.147 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496