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 1b5j_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 0.000 177.625 177.584 0.068 0.000 1.274 1 A CA 0.000 52.119 52.037 0.136 0.000 0.836 1 A CB 0.000 19.127 19.000 0.212 0.000 0.831 2 D N 1.757 122.202 120.400 0.075 0.000 2.464 2 D HA 0.418 5.096 4.640 0.063 0.000 0.243 2 D C -0.450 175.803 176.300 -0.079 0.000 1.104 2 D CA 0.016 54.022 54.000 0.011 0.000 0.883 2 D CB 1.613 42.440 40.800 0.046 0.000 1.050 2 D HN 0.284 nan 8.370 nan 0.000 0.524 3 V N 3.908 123.685 119.914 -0.228 0.000 2.470 3 V HA 0.171 4.328 4.120 0.063 0.000 0.276 3 V C -1.690 174.270 176.094 -0.223 0.000 1.040 3 V CA -1.171 60.846 62.300 -0.471 0.000 1.008 3 V CB 0.366 31.886 31.823 -0.505 0.000 0.990 3 V HN 0.311 nan 8.190 nan 0.000 0.477 4 P HA 0.247 nan 4.420 nan 0.000 0.268 4 P C -0.102 177.170 177.300 -0.046 0.000 1.205 4 P CA -0.155 62.917 63.100 -0.046 0.000 0.771 4 P CB 0.440 32.152 31.700 0.020 0.000 0.858 5 A N 2.392 125.200 122.820 -0.021 0.000 2.565 5 A HA 0.377 4.735 4.320 0.063 0.000 0.237 5 A C 1.608 179.189 177.584 -0.005 0.000 1.053 5 A CA 0.789 52.817 52.037 -0.015 0.000 0.755 5 A CB -1.279 17.718 19.000 -0.004 0.000 0.980 5 A HN 0.961 nan 8.150 nan 0.000 0.506 6 G N 1.023 109.820 108.800 -0.006 0.000 2.234 6 G HA2 -0.206 3.791 3.960 0.063 0.000 0.260 6 G HA3 -0.206 3.791 3.960 0.063 0.000 0.260 6 G C 0.368 175.276 174.900 0.014 0.000 0.987 6 G CA 0.178 45.282 45.100 0.006 0.000 0.625 6 G HN 1.484 nan 8.290 nan 0.000 0.532 7 V N 1.572 121.490 119.914 0.007 0.000 2.572 7 V HA 0.358 4.515 4.120 0.063 0.000 0.291 7 V C 0.815 176.923 176.094 0.024 0.000 1.039 7 V CA 0.483 62.802 62.300 0.032 0.000 1.055 7 V CB 1.632 33.474 31.823 0.030 0.000 0.969 7 V HN 0.519 nan 8.190 nan 0.000 0.482 8 Q N 4.252 124.084 119.800 0.053 0.000 2.296 8 Q HA 0.485 4.863 4.340 0.063 0.000 0.257 8 Q C -0.969 175.072 176.000 0.068 0.000 0.942 8 Q CA -0.500 55.329 55.803 0.043 0.000 0.939 8 Q CB 1.026 29.787 28.738 0.038 0.000 1.198 8 Q HN 0.674 nan 8.270 nan 0.000 0.429 9 L N 2.864 124.116 121.223 0.048 0.000 2.350 9 L HA 0.493 4.870 4.340 0.063 0.000 0.275 9 L C 0.344 177.247 176.870 0.054 0.000 1.099 9 L CA -0.719 54.167 54.840 0.077 0.000 0.808 9 L CB 1.156 43.246 42.059 0.052 0.000 1.149 9 L HN 0.728 nan 8.230 nan 0.000 0.442 10 A N 1.723 124.586 122.820 0.072 0.000 2.466 10 A HA 0.020 4.377 4.320 0.063 0.000 0.238 10 A C 0.680 178.260 177.584 -0.006 0.000 1.074 10 A CA -0.256 51.784 52.037 0.006 0.000 0.774 10 A CB 0.159 19.162 19.000 0.006 0.000 1.015 10 A HN 0.851 nan 8.150 nan 0.000 0.498 11 D N -0.044 120.330 120.400 -0.044 0.000 2.117 11 D HA -0.044 4.634 4.640 0.063 0.000 0.197 11 D C 0.733 177.020 176.300 -0.023 0.000 0.987 11 D CA 1.599 55.578 54.000 -0.035 0.000 0.829 11 D CB 0.092 40.860 40.800 -0.055 0.000 0.961 11 D HN 0.579 nan 8.370 nan 0.000 0.460 12 K N 0.980 121.359 120.400 -0.036 0.000 2.263 12 K HA 0.137 4.494 4.320 0.063 0.000 0.272 12 K C -0.591 176.015 176.600 0.011 0.000 1.033 12 K CA -0.366 55.910 56.287 -0.018 0.000 0.884 12 K CB 0.755 33.230 32.500 -0.042 0.000 1.107 12 K HN -0.254 nan 8.250 nan 0.000 0.460 13 Q N 3.363 123.183 119.800 0.033 0.000 2.901 13 Q HA 0.122 4.500 4.340 0.063 0.000 0.265 13 Q C -0.752 175.283 176.000 0.058 0.000 1.263 13 Q CA -0.134 55.708 55.803 0.064 0.000 1.088 13 Q CB 0.958 29.744 28.738 0.080 0.000 1.339 13 Q HN 0.787 nan 8.270 nan 0.000 0.546 14 T N -1.897 112.682 114.554 0.042 0.000 2.907 14 T HA 0.779 5.167 4.350 0.063 0.000 0.292 14 T C -0.679 174.029 174.700 0.013 0.000 1.043 14 T CA -0.894 61.217 62.100 0.019 0.000 1.003 14 T CB 1.930 70.800 68.868 0.004 0.000 1.084 14 T HN 0.205 nan 8.240 nan 0.000 0.483 15 L N 1.640 122.840 121.223 -0.038 0.000 2.422 15 L HA 0.791 5.169 4.340 0.063 0.000 0.264 15 L C -1.557 175.230 176.870 -0.137 0.000 0.984 15 L CA -0.689 54.107 54.840 -0.073 0.000 0.819 15 L CB 2.365 44.350 42.059 -0.123 0.000 1.330 15 L HN 0.720 nan 8.230 nan 0.000 0.410 16 V N 5.001 124.843 119.914 -0.119 0.000 2.444 16 V HA 0.620 4.778 4.120 0.063 0.000 0.294 16 V C -0.264 175.719 176.094 -0.184 0.000 1.022 16 V CA -0.572 61.638 62.300 -0.150 0.000 0.850 16 V CB 1.612 33.392 31.823 -0.073 0.000 0.992 16 V HN 0.704 nan 8.190 nan 0.000 0.426 17 R N 2.856 123.173 120.500 -0.305 0.000 2.637 17 R HA 0.468 4.846 4.340 0.063 0.000 0.291 17 R C -0.574 175.645 176.300 -0.135 0.000 0.963 17 R CA -0.853 55.089 56.100 -0.263 0.000 0.901 17 R CB 1.919 31.933 30.300 -0.475 0.000 1.160 17 R HN 0.697 nan 8.270 nan 0.000 0.457 18 N N 0.562 119.242 118.700 -0.034 0.000 2.515 18 N HA 0.039 4.816 4.740 0.063 0.000 0.279 18 N C -0.099 175.451 175.510 0.067 0.000 1.164 18 N CA -0.086 52.969 53.050 0.009 0.000 0.982 18 N CB 0.867 39.369 38.487 0.025 0.000 1.170 18 N HN 0.478 nan 8.380 nan 0.000 0.474 19 N N 0.789 119.468 118.700 -0.035 0.000 2.241 19 N HA 0.228 5.006 4.740 0.063 0.000 0.238 19 N C 0.634 175.724 175.510 -0.701 0.000 1.244 19 N CA 0.562 53.533 53.050 -0.132 0.000 0.880 19 N CB 0.185 38.668 38.487 -0.006 0.000 1.179 19 N HN 0.765 nan 8.380 nan 0.000 0.513 20 G N -0.170 108.125 108.800 -0.841 0.000 2.435 20 G HA2 -0.310 3.688 3.960 0.063 0.000 0.245 20 G HA3 -0.310 3.688 3.960 0.063 0.000 0.245 20 G C 0.140 174.651 174.900 -0.647 0.000 1.073 20 G CA 0.848 45.278 45.100 -1.117 0.000 0.638 20 G HN 1.061 nan 8.290 nan 0.000 0.521 21 S N -1.287 114.095 115.700 -0.531 0.000 2.655 21 S HA 0.557 5.065 4.470 0.063 0.000 0.266 21 S C -1.014 173.486 174.600 -0.167 0.000 1.149 21 S CA 0.137 58.150 58.200 -0.311 0.000 0.818 21 S CB 1.983 64.950 63.200 -0.388 0.000 1.130 21 S HN 1.083 nan 8.310 nan 0.000 0.476 22 E N 1.451 121.644 120.200 -0.011 0.000 2.344 22 E HA 0.421 4.809 4.350 0.063 0.000 0.270 22 E C 0.272 176.955 176.600 0.138 0.000 1.021 22 E CA -0.517 55.931 56.400 0.080 0.000 0.887 22 E CB 0.783 30.563 29.700 0.133 0.000 0.997 22 E HN 0.924 nan 8.360 nan 0.000 0.429 23 V N 2.687 122.659 119.914 0.097 0.000 2.843 23 V HA -0.012 4.146 4.120 0.063 0.000 0.305 23 V C 1.112 177.328 176.094 0.204 0.000 1.065 23 V CA 0.004 62.368 62.300 0.107 0.000 1.116 23 V CB 0.955 32.729 31.823 -0.082 0.000 0.968 23 V HN 0.869 nan 8.190 nan 0.000 0.487 24 Q N 1.774 121.696 119.800 0.204 0.000 2.084 24 Q HA 0.033 4.411 4.340 0.063 0.000 0.202 24 Q C 1.072 177.159 176.000 0.145 0.000 0.978 24 Q CA 1.790 57.682 55.803 0.148 0.000 0.844 24 Q CB 0.141 28.933 28.738 0.089 0.000 0.898 24 Q HN 0.985 nan 8.270 nan 0.000 0.426 25 S N -2.560 113.201 115.700 0.101 0.000 2.627 25 S HA 0.284 4.792 4.470 0.063 0.000 0.268 25 S C -0.841 173.703 174.600 -0.094 0.000 1.130 25 S CA -0.777 57.477 58.200 0.092 0.000 0.819 25 S CB 0.254 63.489 63.200 0.058 0.000 1.100 25 S HN 0.174 nan 8.310 nan 0.000 0.465 26 L N 1.223 122.340 121.223 -0.177 0.000 2.693 26 L HA 0.362 4.740 4.340 0.063 0.000 0.235 26 L C 0.225 176.983 176.870 -0.187 0.000 1.127 26 L CA -0.001 54.677 54.840 -0.270 0.000 0.914 26 L CB 0.162 41.962 42.059 -0.431 0.000 1.193 26 L HN 0.581 nan 8.230 nan 0.000 0.502 27 D N 1.461 121.756 120.400 -0.175 0.000 2.325 27 D HA 0.097 4.775 4.640 0.063 0.000 0.251 27 D C -1.687 174.558 176.300 -0.091 0.000 1.196 27 D CA -1.882 52.071 54.000 -0.079 0.000 0.866 27 D CB 1.908 42.774 40.800 0.109 0.000 1.101 27 D HN -0.115 nan 8.370 nan 0.000 0.476 28 P HA -0.120 nan 4.420 nan 0.000 0.218 28 P C 0.345 177.569 177.300 -0.126 0.000 1.146 28 P CA 1.308 64.245 63.100 -0.272 0.000 0.813 28 P CB 0.061 31.474 31.700 -0.479 0.000 0.778 29 H N -1.766 117.298 119.070 -0.011 0.000 2.539 29 H HA 0.166 4.760 4.556 0.063 0.000 0.267 29 H C 1.042 176.388 175.328 0.031 0.000 0.982 29 H CA 0.084 56.135 56.048 0.004 0.000 1.146 29 H CB 0.292 30.055 29.762 0.002 0.000 1.382 29 H HN -0.045 nan 8.280 nan 0.000 0.577 30 K N 1.088 121.565 120.400 0.127 0.000 2.414 30 K HA 0.207 4.564 4.320 0.063 0.000 0.204 30 K C 0.174 176.812 176.600 0.063 0.000 1.026 30 K CA 0.043 56.383 56.287 0.088 0.000 1.108 30 K CB 0.792 33.343 32.500 0.084 0.000 0.855 30 K HN 0.399 nan 8.250 nan 0.000 0.517 31 I N -3.135 117.483 120.570 0.080 0.000 2.797 31 I HA 0.382 4.589 4.170 0.063 0.000 0.307 31 I C 0.411 176.646 176.117 0.197 0.000 1.033 31 I CA -0.623 60.730 61.300 0.088 0.000 1.071 31 I CB 2.273 40.290 38.000 0.030 0.000 1.255 31 I HN -0.130 nan 8.210 nan 0.000 0.445 32 E N 1.961 122.278 120.200 0.196 0.000 2.679 32 E HA 0.286 4.674 4.350 0.063 0.000 0.221 32 E C 0.359 177.124 176.600 0.275 0.000 0.928 32 E CA -0.221 56.371 56.400 0.320 0.000 1.296 32 E CB 1.192 30.971 29.700 0.132 0.000 1.235 32 E HN 0.983 nan 8.360 nan 0.000 0.622 33 G N 0.063 109.009 108.800 0.244 0.000 2.552 33 G HA2 0.333 4.330 3.960 0.063 0.000 0.324 33 G HA3 0.333 4.330 3.960 0.063 0.000 0.324 33 G C 0.868 175.876 174.900 0.180 0.000 1.217 33 G CA -0.471 44.834 45.100 0.342 0.000 0.989 33 G HN -0.024 nan 8.290 nan 0.000 0.490 34 V N 1.226 121.235 119.914 0.158 0.000 2.295 34 V HA -0.087 4.070 4.120 0.063 0.000 0.246 34 V C -0.128 175.969 176.094 0.006 0.000 1.049 34 V CA 2.180 64.508 62.300 0.047 0.000 1.024 34 V CB -0.850 31.021 31.823 0.079 0.000 0.648 34 V HN 0.530 nan 8.190 nan 0.000 0.447 35 P HA -0.115 nan 4.420 nan 0.000 0.216 35 P C 1.458 178.666 177.300 -0.154 0.000 1.153 35 P CA 1.228 64.223 63.100 -0.175 0.000 0.848 35 P CB 0.044 31.516 31.700 -0.380 0.000 0.787 36 E N -0.616 119.557 120.200 -0.044 0.000 2.051 36 E HA -0.115 4.273 4.350 0.063 0.000 0.192 36 E C 2.171 178.675 176.600 -0.160 0.000 0.991 36 E CA 1.515 57.867 56.400 -0.080 0.000 0.799 36 E CB -1.075 28.638 29.700 0.021 0.000 0.748 36 E HN 0.124 nan 8.360 nan 0.000 0.449 37 S N 0.742 116.357 115.700 -0.142 0.000 2.402 37 S HA -0.095 4.412 4.470 0.063 0.000 0.229 37 S C 1.595 176.057 174.600 -0.230 0.000 1.021 37 S CA 0.763 58.841 58.200 -0.202 0.000 0.974 37 S CB -0.281 62.795 63.200 -0.207 0.000 0.800 37 S HN 0.237 nan 8.310 nan 0.000 0.484 38 N N 1.476 120.043 118.700 -0.220 0.000 2.069 38 N HA -0.076 4.702 4.740 0.063 0.000 0.191 38 N C 1.702 176.941 175.510 -0.451 0.000 1.031 38 N CA 1.115 54.010 53.050 -0.258 0.000 0.852 38 N CB -0.700 37.684 38.487 -0.171 0.000 1.018 38 N HN 0.226 nan 8.380 nan 0.000 0.423 39 V N 0.132 119.687 119.914 -0.598 0.000 2.379 39 V HA -0.111 4.047 4.120 0.063 0.000 0.245 39 V C 2.445 178.319 176.094 -0.366 0.000 1.044 39 V CA 1.429 63.304 62.300 -0.708 0.000 1.036 39 V CB -0.692 30.708 31.823 -0.704 0.000 0.664 39 V HN 0.297 nan 8.190 nan 0.000 0.453 40 S N -0.284 115.268 115.700 -0.245 0.000 2.370 40 S HA -0.238 4.270 4.470 0.063 0.000 0.226 40 S C 2.175 176.739 174.600 -0.060 0.000 1.033 40 S CA 1.657 59.815 58.200 -0.071 0.000 1.011 40 S CB -0.270 62.888 63.200 -0.071 0.000 0.852 40 S HN 0.541 nan 8.310 nan 0.000 0.457 41 R N 0.419 120.820 120.500 -0.165 0.000 2.152 41 R HA -0.048 4.329 4.340 0.063 0.000 0.232 41 R C 1.523 177.799 176.300 -0.041 0.000 1.117 41 R CA 1.454 57.456 56.100 -0.164 0.000 0.981 41 R CB -0.296 29.685 30.300 -0.531 0.000 0.870 41 R HN 0.420 nan 8.270 nan 0.000 0.451 42 D N 0.150 120.504 120.400 -0.075 0.000 2.234 42 D HA -0.034 4.644 4.640 0.063 0.000 0.205 42 D C 1.767 178.058 176.300 -0.016 0.000 0.962 42 D CA 0.887 54.910 54.000 0.039 0.000 0.855 42 D CB 0.250 41.036 40.800 -0.024 0.000 0.951 42 D HN 0.217 nan 8.370 nan 0.000 0.500 43 L N -1.420 119.706 121.223 -0.162 0.000 2.362 43 L HA 0.158 4.536 4.340 0.063 0.000 0.204 43 L C 0.006 176.521 176.870 -0.593 0.000 1.060 43 L CA 0.332 54.918 54.840 -0.422 0.000 0.827 43 L CB 0.286 41.946 42.059 -0.666 0.000 1.027 43 L HN -0.170 nan 8.230 nan 0.000 0.474 44 F N 0.048 120.019 119.950 0.035 0.000 2.493 44 F HA 0.391 4.955 4.527 0.062 0.000 0.329 44 F C 0.057 175.896 175.800 0.064 0.000 1.126 44 F CA -0.862 57.173 58.000 0.059 0.000 0.937 44 F CB 1.544 40.590 39.000 0.077 0.000 1.146 44 F HN -0.178 nan 8.300 nan 0.000 0.442 45 E N 2.013 122.349 120.200 0.228 0.000 2.145 45 E HA 0.588 4.976 4.350 0.063 0.000 0.270 45 E C 0.084 176.858 176.600 0.290 0.000 0.906 45 E CA -0.536 56.017 56.400 0.255 0.000 0.761 45 E CB 1.383 31.258 29.700 0.292 0.000 1.116 45 E HN 0.822 nan 8.360 nan 0.000 0.408 46 G N 3.022 112.005 108.800 0.304 0.000 2.494 46 G HA2 0.101 4.099 3.960 0.063 0.000 0.270 46 G HA3 0.101 4.099 3.960 0.063 0.000 0.270 46 G C 0.901 175.945 174.900 0.240 0.000 1.423 46 G CA -0.465 44.864 45.100 0.381 0.000 1.055 46 G HN 0.616 nan 8.290 nan 0.000 0.536 47 L N -1.392 119.828 121.223 -0.005 0.000 2.017 47 L HA 0.030 4.407 4.340 0.063 0.000 0.208 47 L C 0.607 177.403 176.870 -0.122 0.000 1.073 47 L CA 0.802 55.461 54.840 -0.301 0.000 0.745 47 L CB -0.450 41.204 42.059 -0.675 0.000 0.894 47 L HN 0.118 nan 8.230 nan 0.000 0.432 48 L N -1.305 119.864 121.223 -0.090 0.000 2.323 48 L HA 0.549 4.927 4.340 0.063 0.000 0.265 48 L C -0.297 176.640 176.870 0.111 0.000 1.012 48 L CA -0.456 54.376 54.840 -0.013 0.000 0.820 48 L CB 1.993 43.990 42.059 -0.103 0.000 1.334 48 L HN -0.035 nan 8.230 nan 0.000 0.427 49 I N -3.160 117.502 120.570 0.152 0.000 3.145 49 I HA 0.678 4.886 4.170 0.063 0.000 0.313 49 I C -0.573 175.641 176.117 0.162 0.000 1.122 49 I CA -0.725 60.670 61.300 0.158 0.000 0.987 49 I CB 2.280 40.251 38.000 -0.048 0.000 1.236 49 I HN 0.349 nan 8.210 nan 0.000 0.453 50 S N 2.040 117.879 115.700 0.232 0.000 2.565 50 S HA 0.225 4.733 4.470 0.063 0.000 0.274 50 S C -0.440 174.231 174.600 0.117 0.000 1.309 50 S CA -0.626 57.713 58.200 0.232 0.000 1.043 50 S CB 0.762 64.149 63.200 0.313 0.000 0.939 50 S HN 0.796 nan 8.310 nan 0.000 0.504 51 D N 0.891 121.378 120.400 0.145 0.000 2.398 51 D HA 0.025 4.703 4.640 0.063 0.000 0.264 51 D C 1.638 178.005 176.300 0.111 0.000 1.263 51 D CA -0.551 53.520 54.000 0.118 0.000 1.037 51 D CB -0.346 40.569 40.800 0.192 0.000 1.101 51 D HN 0.281 nan 8.370 nan 0.000 0.551 52 V N -3.146 116.831 119.914 0.104 0.000 2.913 52 V HA -0.063 4.095 4.120 0.063 0.000 0.260 52 V C 1.298 177.405 176.094 0.022 0.000 1.098 52 V CA 1.442 63.796 62.300 0.090 0.000 1.121 52 V CB -1.119 30.759 31.823 0.093 0.000 0.714 52 V HN 0.527 nan 8.190 nan 0.000 0.487 53 E N 0.450 120.633 120.200 -0.030 0.000 2.498 53 E HA 0.398 4.786 4.350 0.063 0.000 0.203 53 E C 1.563 178.002 176.600 -0.268 0.000 1.013 53 E CA 0.440 56.747 56.400 -0.155 0.000 0.927 53 E CB 0.740 30.346 29.700 -0.156 0.000 1.012 53 E HN 0.759 nan 8.360 nan 0.000 0.482 54 G N 1.697 110.413 108.800 -0.139 0.000 2.175 54 G HA2 -0.245 3.753 3.960 0.063 0.000 0.244 54 G HA3 -0.245 3.753 3.960 0.063 0.000 0.244 54 G C -0.162 174.711 174.900 -0.045 0.000 0.982 54 G CA -0.128 44.932 45.100 -0.067 0.000 0.641 54 G HN 0.419 nan 8.290 nan 0.000 0.527 55 H N 1.524 120.686 119.070 0.153 0.000 2.683 55 H HA 0.419 4.995 4.556 0.033 0.000 0.339 55 H C -2.173 173.288 175.328 0.221 0.000 1.081 55 H CA -1.333 54.826 56.048 0.185 0.000 1.432 55 H CB 0.777 30.646 29.762 0.178 0.000 1.462 55 H HN 0.122 nan 8.280 nan 0.000 0.557 56 P HA 0.029 nan 4.420 nan 0.000 0.264 56 P C -0.742 176.812 177.300 0.424 0.000 1.193 56 P CA 0.415 63.740 63.100 0.374 0.000 0.763 56 P CB 0.865 32.842 31.700 0.462 0.000 0.810 57 S N 3.684 119.604 115.700 0.367 0.000 2.607 57 S HA 0.552 5.060 4.470 0.063 0.000 0.273 57 S C -2.818 172.031 174.600 0.414 0.000 1.148 57 S CA -1.488 56.949 58.200 0.395 0.000 0.833 57 S CB 1.364 64.731 63.200 0.277 0.000 1.130 57 S HN 0.194 nan 8.310 nan 0.000 0.470 58 P HA 0.204 nan 4.420 nan 0.000 0.264 58 P C 0.050 177.545 177.300 0.325 0.000 1.193 58 P CA 0.369 63.747 63.100 0.463 0.000 0.763 58 P CB 0.370 32.273 31.700 0.339 0.000 0.810 59 G N 1.505 110.455 108.800 0.250 0.000 3.110 59 G HA2 0.109 4.106 3.960 0.063 0.000 0.207 59 G HA3 0.109 4.106 3.960 0.063 0.000 0.207 59 G C 1.054 176.064 174.900 0.183 0.000 1.841 59 G CA -0.227 45.048 45.100 0.292 0.000 0.751 59 G HN 0.265 nan 8.290 nan 0.000 0.771 60 V N 1.915 121.914 119.914 0.141 0.000 2.427 60 V HA 0.135 4.292 4.120 0.063 0.000 0.248 60 V C 1.904 177.948 176.094 -0.083 0.000 1.051 60 V CA 1.430 63.732 62.300 0.003 0.000 1.048 60 V CB -0.806 31.096 31.823 0.132 0.000 0.666 60 V HN 0.606 nan 8.190 nan 0.000 0.456 61 A N 0.853 123.669 122.820 -0.007 0.000 2.409 61 A HA 0.255 4.613 4.320 0.063 0.000 0.267 61 A C 1.252 178.976 177.584 0.234 0.000 1.127 61 A CA -0.001 52.123 52.037 0.144 0.000 0.795 61 A CB 0.095 19.273 19.000 0.296 0.000 1.061 61 A HN 0.657 nan 8.150 nan 0.000 0.502 62 E N 2.528 122.813 120.200 0.141 0.000 2.318 62 E HA 0.057 4.444 4.350 0.063 0.000 0.193 62 E C 0.313 176.989 176.600 0.128 0.000 0.998 62 E CA 0.726 57.170 56.400 0.073 0.000 0.859 62 E CB -0.081 29.568 29.700 -0.086 0.000 0.812 62 E HN 0.702 nan 8.360 nan 0.000 0.492 63 K N -0.387 120.165 120.400 0.254 0.000 2.575 63 K HA 0.478 4.836 4.320 0.063 0.000 0.279 63 K C -1.976 174.841 176.600 0.360 0.000 0.969 63 K CA -1.088 55.222 56.287 0.039 0.000 0.868 63 K CB 1.097 33.543 32.500 -0.090 0.000 1.457 63 K HN 0.150 nan 8.250 nan 0.000 0.426 64 W N 0.082 121.453 121.300 0.119 0.000 3.213 64 W HA 0.656 5.349 4.660 0.055 0.000 0.318 64 W C -1.575 174.903 176.519 -0.069 0.000 1.248 64 W CA -0.560 56.770 57.345 -0.025 0.000 1.187 64 W CB 1.103 30.472 29.460 -0.151 0.000 1.403 64 W HN 0.643 nan 8.180 nan 0.000 0.556 65 E N 1.309 121.524 120.200 0.025 0.000 2.392 65 E HA 0.538 4.925 4.350 0.063 0.000 0.269 65 E C -1.194 175.240 176.600 -0.276 0.000 0.924 65 E CA -1.176 55.158 56.400 -0.111 0.000 0.784 65 E CB 2.047 31.680 29.700 -0.112 0.000 1.292 65 E HN 0.524 nan 8.360 nan 0.000 0.447 66 N N -0.710 117.698 118.700 -0.486 0.000 2.242 66 N HA 0.365 5.143 4.740 0.063 0.000 0.292 66 N C -1.517 173.618 175.510 -0.626 0.000 1.125 66 N CA -1.066 51.460 53.050 -0.874 0.000 0.783 66 N CB 1.829 39.248 38.487 -1.780 0.000 1.558 66 N HN 0.247 nan 8.380 nan 0.000 0.472 67 K N 1.186 121.246 120.400 -0.566 0.000 2.425 67 K HA 0.198 4.556 4.320 0.063 0.000 0.259 67 K C -0.901 175.455 176.600 -0.406 0.000 0.978 67 K CA -0.341 55.704 56.287 -0.404 0.000 0.883 67 K CB 0.312 32.652 32.500 -0.266 0.000 1.110 67 K HN 0.713 nan 8.250 nan 0.000 0.436 68 D N 4.296 124.413 120.400 -0.472 0.000 2.911 68 D HA -0.220 4.457 4.640 0.063 0.000 0.227 68 D C -0.337 175.792 176.300 -0.285 0.000 1.164 68 D CA 1.329 55.091 54.000 -0.397 0.000 0.782 68 D CB -1.173 39.524 40.800 -0.172 0.000 1.094 68 D HN 0.760 nan 8.370 nan 0.000 0.425 69 F N -2.246 117.576 119.950 -0.215 0.000 3.048 69 F HA -0.325 4.239 4.527 0.062 0.000 0.287 69 F C 1.620 177.490 175.800 0.116 0.000 0.796 69 F CA 1.494 59.458 58.000 -0.061 0.000 1.111 69 F CB -2.104 37.007 39.000 0.184 0.000 1.320 69 F HN 0.212 nan 8.300 nan 0.000 0.430 70 K N -1.020 119.395 120.400 0.025 0.000 2.424 70 K HA 0.399 4.757 4.320 0.063 0.000 0.198 70 K C 0.153 176.780 176.600 0.046 0.000 1.190 70 K CA 0.581 56.921 56.287 0.089 0.000 0.935 70 K CB 1.181 33.695 32.500 0.024 0.000 1.087 70 K HN 0.006 nan 8.250 nan 0.000 0.524 71 V N 1.767 121.595 119.914 -0.144 0.000 2.378 71 V HA 0.270 4.428 4.120 0.063 0.000 0.288 71 V C -1.515 174.423 176.094 -0.260 0.000 1.016 71 V CA -0.715 61.521 62.300 -0.107 0.000 0.840 71 V CB 0.797 32.549 31.823 -0.118 0.000 0.994 71 V HN 0.165 nan 8.190 nan 0.000 0.431 72 W N 2.525 123.767 121.300 -0.097 0.000 2.475 72 W HA 0.653 5.350 4.660 0.061 0.000 0.317 72 W C 0.170 176.505 176.519 -0.307 0.000 1.046 72 W CA -0.421 56.835 57.345 -0.149 0.000 1.215 72 W CB 2.007 31.533 29.460 0.110 0.000 1.335 72 W HN 0.365 nan 8.180 nan 0.000 0.471 73 T N 4.272 118.634 114.554 -0.320 0.000 2.786 73 T HA 0.487 4.874 4.350 0.063 0.000 0.283 73 T C -1.070 173.297 174.700 -0.555 0.000 0.992 73 T CA -0.528 61.368 62.100 -0.340 0.000 0.954 73 T CB 0.289 69.009 68.868 -0.247 0.000 0.934 73 T HN -0.027 nan 8.240 nan 0.000 0.440 74 F N 2.731 122.626 119.950 -0.092 0.000 2.427 74 F HA 0.340 4.903 4.527 0.060 0.000 0.346 74 F C 0.973 176.640 175.800 -0.221 0.000 1.120 74 F CA -0.989 56.997 58.000 -0.024 0.000 1.033 74 F CB 1.027 40.062 39.000 0.060 0.000 1.126 74 F HN 0.491 nan 8.300 nan 0.000 0.462 75 H N 5.397 124.636 119.070 0.282 0.000 2.690 75 H HA 0.315 4.908 4.556 0.062 0.000 0.289 75 H C -0.186 175.224 175.328 0.136 0.000 1.089 75 H CA -0.349 55.796 56.048 0.163 0.000 1.299 75 H CB 0.754 30.567 29.762 0.085 0.000 1.405 75 H HN 0.445 nan 8.280 nan 0.000 0.463 76 L N 4.001 125.334 121.223 0.183 0.000 2.349 76 L HA 0.250 4.628 4.340 0.063 0.000 0.275 76 L C 1.201 178.079 176.870 0.013 0.000 1.115 76 L CA -0.659 54.237 54.840 0.093 0.000 0.820 76 L CB 0.681 42.810 42.059 0.117 0.000 1.135 76 L HN 0.482 nan 8.230 nan 0.000 0.445 77 R N 2.234 122.661 120.500 -0.120 0.000 2.570 77 R HA 0.033 4.411 4.340 0.063 0.000 0.277 77 R C 0.209 176.373 176.300 -0.226 0.000 1.039 77 R CA -0.248 55.711 56.100 -0.235 0.000 1.065 77 R CB 0.671 30.696 30.300 -0.458 0.000 0.964 77 R HN 0.654 nan 8.270 nan 0.000 0.428 78 E N 1.617 121.644 120.200 -0.288 0.000 2.274 78 E HA -0.156 4.232 4.350 0.063 0.000 0.194 78 E C 0.542 177.056 176.600 -0.143 0.000 0.996 78 E CA 1.110 57.286 56.400 -0.374 0.000 0.840 78 E CB 0.020 29.499 29.700 -0.368 0.000 0.772 78 E HN 0.751 nan 8.360 nan 0.000 0.491 79 N N 0.833 119.472 118.700 -0.102 0.000 2.313 79 N HA 0.049 4.827 4.740 0.063 0.000 0.207 79 N C -0.197 175.332 175.510 0.032 0.000 1.141 79 N CA -0.017 53.028 53.050 -0.009 0.000 0.830 79 N CB 0.112 38.609 38.487 0.017 0.000 1.008 79 N HN -0.096 nan 8.380 nan 0.000 0.481 80 A N 0.671 123.481 122.820 -0.017 0.000 2.450 80 A HA 0.418 4.776 4.320 0.063 0.000 0.255 80 A C 0.060 177.684 177.584 0.066 0.000 1.096 80 A CA -0.061 51.995 52.037 0.031 0.000 0.778 80 A CB 0.301 19.279 19.000 -0.037 0.000 1.031 80 A HN 0.357 nan 8.150 nan 0.000 0.494 81 K N 1.203 121.654 120.400 0.085 0.000 2.482 81 K HA 0.409 4.766 4.320 0.063 0.000 0.257 81 K C -1.280 175.340 176.600 0.034 0.000 0.969 81 K CA -0.523 55.816 56.287 0.087 0.000 0.842 81 K CB 1.628 34.216 32.500 0.147 0.000 1.359 81 K HN 0.767 nan 8.250 nan 0.000 0.441 82 W N 0.348 121.737 121.300 0.149 0.000 2.089 82 W HA 0.038 4.738 4.660 0.066 0.000 0.362 82 W C 1.653 178.239 176.519 0.111 0.000 1.362 82 W CA -0.080 57.346 57.345 0.134 0.000 1.460 82 W CB 0.633 30.163 29.460 0.116 0.000 1.204 82 W HN 0.706 nan 8.180 nan 0.000 0.657 83 S N -0.592 115.334 115.700 0.376 0.000 2.555 83 S HA -0.184 4.324 4.470 0.063 0.000 0.230 83 S C 0.847 175.556 174.600 0.182 0.000 0.978 83 S CA 1.144 59.474 58.200 0.216 0.000 0.934 83 S CB -0.471 62.826 63.200 0.163 0.000 0.766 83 S HN 0.589 nan 8.310 nan 0.000 0.533 84 D N 0.185 120.713 120.400 0.213 0.000 2.328 84 D HA 0.273 4.951 4.640 0.063 0.000 0.221 84 D C 1.391 177.780 176.300 0.148 0.000 1.072 84 D CA 0.452 54.542 54.000 0.150 0.000 0.850 84 D CB -0.555 40.317 40.800 0.120 0.000 0.922 84 D HN 0.483 nan 8.370 nan 0.000 0.516 85 G N 0.295 109.202 108.800 0.178 0.000 2.199 85 G HA2 -0.288 3.709 3.960 0.063 0.000 0.254 85 G HA3 -0.288 3.709 3.960 0.063 0.000 0.254 85 G C 0.543 175.552 174.900 0.181 0.000 0.982 85 G CA 0.595 45.789 45.100 0.157 0.000 0.632 85 G HN 0.807 nan 8.290 nan 0.000 0.529 86 T N -0.282 114.411 114.554 0.232 0.000 2.904 86 T HA 0.615 5.003 4.350 0.063 0.000 0.290 86 T C -2.291 172.612 174.700 0.339 0.000 1.018 86 T CA -1.440 60.806 62.100 0.244 0.000 1.075 86 T CB 2.210 71.197 68.868 0.198 0.000 0.986 86 T HN 0.074 nan 8.240 nan 0.000 0.523 87 P HA 0.264 nan 4.420 nan 0.000 0.271 87 P C -0.692 176.804 177.300 0.327 0.000 1.218 87 P CA -0.547 62.709 63.100 0.261 0.000 0.780 87 P CB 0.435 32.275 31.700 0.233 0.000 0.901 88 V N 3.009 123.013 119.914 0.150 0.000 2.432 88 V HA 0.381 4.539 4.120 0.063 0.000 0.275 88 V C 0.814 177.028 176.094 0.200 0.000 1.043 88 V CA 0.134 62.479 62.300 0.074 0.000 0.925 88 V CB 0.719 32.411 31.823 -0.219 0.000 0.985 88 V HN 0.738 nan 8.190 nan 0.000 0.466 89 T N 1.787 116.488 114.554 0.244 0.000 2.910 89 T HA 0.675 5.062 4.350 0.063 0.000 0.287 89 T C 1.075 175.871 174.700 0.159 0.000 1.050 89 T CA -0.058 62.138 62.100 0.159 0.000 1.011 89 T CB 1.978 70.936 68.868 0.150 0.000 1.195 89 T HN 0.600 nan 8.240 nan 0.000 0.540 90 A N -0.069 122.748 122.820 -0.005 0.000 2.019 90 A HA -0.076 4.282 4.320 0.063 0.000 0.219 90 A C 2.089 179.658 177.584 -0.024 0.000 1.164 90 A CA 1.252 53.283 52.037 -0.010 0.000 0.644 90 A CB -1.286 17.683 19.000 -0.052 0.000 0.805 90 A HN 0.946 nan 8.150 nan 0.000 0.449 91 H N 0.350 119.511 119.070 0.152 0.000 2.421 91 H HA -0.104 4.490 4.556 0.063 0.000 0.298 91 H C 1.316 176.726 175.328 0.138 0.000 1.087 91 H CA 1.455 57.585 56.048 0.137 0.000 1.330 91 H CB -0.279 29.534 29.762 0.086 0.000 1.388 91 H HN 0.494 nan 8.280 nan 0.000 0.526 92 D N 0.533 121.064 120.400 0.218 0.000 2.117 92 D HA -0.123 4.555 4.640 0.063 0.000 0.197 92 D C 2.027 178.322 176.300 -0.008 0.000 0.987 92 D CA 0.826 54.914 54.000 0.146 0.000 0.829 92 D CB -0.429 40.491 40.800 0.200 0.000 0.961 92 D HN 0.281 nan 8.370 nan 0.000 0.460 93 F N 0.712 120.557 119.950 -0.174 0.000 2.234 93 F HA -0.120 4.444 4.527 0.062 0.000 0.299 93 F C 2.513 178.086 175.800 -0.379 0.000 1.087 93 F CA 0.338 57.992 58.000 -0.577 0.000 1.340 93 F CB -0.506 37.526 39.000 -1.614 0.000 1.031 93 F HN -0.184 nan 8.300 nan 0.000 0.500 94 V N -0.692 119.297 119.914 0.125 0.000 2.295 94 V HA -0.329 3.829 4.120 0.063 0.000 0.246 94 V C 2.094 178.342 176.094 0.257 0.000 1.049 94 V CA 2.020 64.499 62.300 0.300 0.000 1.024 94 V CB -0.828 31.189 31.823 0.323 0.000 0.648 94 V HN 0.411 nan 8.190 nan 0.000 0.447 95 Y N 1.351 121.727 120.300 0.128 0.000 2.128 95 Y HA -0.255 4.332 4.550 0.062 0.000 0.284 95 Y C 2.724 178.703 175.900 0.132 0.000 1.154 95 Y CA 2.016 60.175 58.100 0.100 0.000 1.149 95 Y CB -0.481 38.008 38.460 0.048 0.000 0.976 95 Y HN 0.218 nan 8.280 nan 0.000 0.505 96 S N -0.368 115.390 115.700 0.096 0.000 2.356 96 S HA -0.205 4.302 4.470 0.063 0.000 0.223 96 S C 1.530 176.274 174.600 0.241 0.000 1.032 96 S CA 1.503 59.787 58.200 0.141 0.000 1.005 96 S CB -0.702 62.648 63.200 0.250 0.000 0.867 96 S HN 0.653 nan 8.310 nan 0.000 0.449 97 W N 2.211 123.527 121.300 0.028 0.000 2.402 97 W HA 0.052 4.748 4.660 0.061 0.000 0.286 97 W C 2.424 178.905 176.519 -0.063 0.000 1.221 97 W CA -0.047 57.320 57.345 0.037 0.000 1.257 97 W CB -1.093 28.494 29.460 0.212 0.000 1.120 97 W HN 0.418 nan 8.180 nan 0.000 0.551 98 Q N -0.174 119.710 119.800 0.140 0.000 2.079 98 Q HA -0.181 4.196 4.340 0.063 0.000 0.200 98 Q C 2.312 178.224 176.000 -0.148 0.000 0.974 98 Q CA 1.600 57.409 55.803 0.010 0.000 0.840 98 Q CB -0.408 28.337 28.738 0.012 0.000 0.898 98 Q HN 0.262 nan 8.270 nan 0.000 0.430 99 R N 0.558 120.864 120.500 -0.323 0.000 2.081 99 R HA -0.169 4.209 4.340 0.063 0.000 0.235 99 R C 2.221 178.252 176.300 -0.449 0.000 1.131 99 R CA 0.952 56.815 56.100 -0.395 0.000 0.960 99 R CB -0.237 29.765 30.300 -0.497 0.000 0.856 99 R HN 0.214 nan 8.270 nan 0.000 0.436 100 L N 0.757 121.577 121.223 -0.671 0.000 2.042 100 L HA -0.108 4.270 4.340 0.063 0.000 0.210 100 L C 2.235 178.952 176.870 -0.254 0.000 1.076 100 L CA 2.285 56.772 54.840 -0.588 0.000 0.749 100 L CB -0.652 41.103 42.059 -0.507 0.000 0.893 100 L HN 0.264 nan 8.230 nan 0.000 0.432 101 A N -1.468 121.259 122.820 -0.154 0.000 2.014 101 A HA -0.134 4.224 4.320 0.063 0.000 0.218 101 A C 1.055 178.597 177.584 -0.070 0.000 1.163 101 A CA 0.747 52.735 52.037 -0.082 0.000 0.652 101 A CB -0.775 18.212 19.000 -0.022 0.000 0.808 101 A HN 0.514 nan 8.150 nan 0.000 0.449 102 D N 0.002 120.352 120.400 -0.084 0.000 2.412 102 D HA 0.123 4.800 4.640 0.063 0.000 0.257 102 D C -1.613 174.656 176.300 -0.052 0.000 1.217 102 D CA -1.780 52.185 54.000 -0.059 0.000 0.897 102 D CB 1.034 41.793 40.800 -0.069 0.000 1.132 102 D HN 0.041 nan 8.370 nan 0.000 0.493 103 P HA -0.115 nan 4.420 nan 0.000 0.218 103 P C 0.623 177.910 177.300 -0.022 0.000 1.148 103 P CA 1.167 64.251 63.100 -0.027 0.000 0.822 103 P CB 0.123 31.813 31.700 -0.016 0.000 0.784 104 N N -1.557 117.133 118.700 -0.016 0.000 2.364 104 N HA -0.083 4.695 4.740 0.063 0.000 0.183 104 N C 1.192 176.699 175.510 -0.004 0.000 1.022 104 N CA 1.068 54.114 53.050 -0.006 0.000 0.883 104 N CB -0.363 38.125 38.487 0.000 0.000 0.965 104 N HN 0.167 nan 8.380 nan 0.000 0.438 105 T N 0.205 114.748 114.554 -0.017 0.000 2.985 105 T HA 0.111 4.499 4.350 0.063 0.000 0.266 105 T C 1.092 175.789 174.700 -0.004 0.000 1.076 105 T CA 0.667 62.765 62.100 -0.004 0.000 1.135 105 T CB -0.126 68.719 68.868 -0.037 0.000 0.890 105 T HN 0.348 nan 8.240 nan 0.000 0.480 106 A N 1.782 124.587 122.820 -0.025 0.000 2.745 106 A HA -0.154 4.204 4.320 0.063 0.000 0.296 106 A C 0.932 178.487 177.584 -0.047 0.000 1.500 106 A CA 0.668 52.683 52.037 -0.037 0.000 0.766 106 A CB -2.264 16.718 19.000 -0.030 0.000 1.030 106 A HN 0.518 nan 8.150 nan 0.000 0.489 107 S N 0.192 115.870 115.700 -0.038 0.000 2.564 107 S HA 0.465 4.973 4.470 0.063 0.000 0.278 107 S C -0.151 174.411 174.600 -0.063 0.000 1.333 107 S CA -0.619 57.572 58.200 -0.015 0.000 1.048 107 S CB 0.650 63.854 63.200 0.008 0.000 0.900 107 S HN 0.424 nan 8.310 nan 0.000 0.505 108 P HA -0.026 nan 4.420 nan 0.000 0.226 108 P C 0.070 177.282 177.300 -0.146 0.000 1.153 108 P CA 1.009 63.990 63.100 -0.199 0.000 0.777 108 P CB -0.043 31.523 31.700 -0.223 0.000 0.794 109 Y N -0.560 119.728 120.300 -0.019 0.000 2.658 109 Y HA 0.442 5.030 4.550 0.064 0.000 0.276 109 Y C 2.242 178.092 175.900 -0.083 0.000 1.167 109 Y CA -0.370 57.720 58.100 -0.017 0.000 1.230 109 Y CB -0.620 37.847 38.460 0.012 0.000 1.144 109 Y HN -0.065 nan 8.280 nan 0.000 0.529 110 A N -0.641 122.182 122.820 0.005 0.000 1.917 110 A HA -0.223 4.134 4.320 0.063 0.000 0.219 110 A C 2.351 179.871 177.584 -0.107 0.000 1.182 110 A CA 2.310 54.312 52.037 -0.059 0.000 0.633 110 A CB -0.724 18.235 19.000 -0.068 0.000 0.819 110 A HN 0.331 nan 8.150 nan 0.000 0.448 111 S N -1.919 113.683 115.700 -0.163 0.000 2.547 111 S HA -0.082 4.426 4.470 0.063 0.000 0.235 111 S C 1.482 175.610 174.600 -0.787 0.000 0.980 111 S CA 0.733 58.720 58.200 -0.356 0.000 0.941 111 S CB -0.509 62.516 63.200 -0.291 0.000 0.763 111 S HN 0.637 nan 8.310 nan 0.000 0.532 112 Y N 2.217 122.131 120.300 -0.643 0.000 2.274 112 Y HA -0.068 4.519 4.550 0.061 0.000 0.290 112 Y C 1.670 177.315 175.900 -0.424 0.000 1.145 112 Y CA 1.015 58.750 58.100 -0.607 0.000 1.203 112 Y CB -0.333 37.974 38.460 -0.255 0.000 0.984 112 Y HN 0.227 nan 8.280 nan 0.000 0.533 113 L N -0.662 120.409 121.223 -0.252 0.000 2.217 113 L HA -0.214 4.163 4.340 0.063 0.000 0.211 113 L C 2.206 178.955 176.870 -0.201 0.000 1.107 113 L CA 1.151 55.872 54.840 -0.198 0.000 0.783 113 L CB -0.487 41.504 42.059 -0.114 0.000 0.919 113 L HN 0.249 nan 8.230 nan 0.000 0.442 114 Q N -1.079 118.570 119.800 -0.251 0.000 2.137 114 Q HA -0.144 4.234 4.340 0.063 0.000 0.198 114 Q C 2.103 177.893 176.000 -0.350 0.000 0.960 114 Q CA 1.106 56.775 55.803 -0.224 0.000 0.847 114 Q CB -0.104 28.573 28.738 -0.101 0.000 0.915 114 Q HN 0.425 nan 8.270 nan 0.000 0.448 115 Y N 0.155 120.260 120.300 -0.326 0.000 2.224 115 Y HA -0.075 4.513 4.550 0.062 0.000 0.289 115 Y C 2.383 178.061 175.900 -0.370 0.000 1.146 115 Y CA 1.136 59.050 58.100 -0.309 0.000 1.182 115 Y CB -1.033 37.307 38.460 -0.201 0.000 0.983 115 Y HN 0.145 nan 8.280 nan 0.000 0.524 116 G N -2.486 106.197 108.800 -0.194 0.000 2.880 116 G HA2 -0.023 3.975 3.960 0.063 0.000 0.209 116 G HA3 -0.023 3.975 3.960 0.063 0.000 0.209 116 G C -0.332 174.578 174.900 0.017 0.000 1.157 116 G CA 0.227 45.340 45.100 0.021 0.000 0.779 116 G HN 0.645 nan 8.290 nan 0.000 0.539 117 H N -1.513 117.568 119.070 0.018 0.000 2.791 117 H HA -0.137 4.457 4.556 0.062 0.000 0.302 117 H C -0.030 175.280 175.328 -0.030 0.000 1.198 117 H CA -0.094 55.954 56.048 0.001 0.000 1.145 117 H CB -2.053 27.709 29.762 -0.000 0.000 1.385 117 H HN 0.281 nan 8.280 nan 0.000 0.409 118 I N 0.852 121.439 120.570 0.029 0.000 2.683 118 I HA 0.121 4.328 4.170 0.063 0.000 0.286 118 I C 1.295 177.449 176.117 0.061 0.000 1.175 118 I CA 0.829 62.159 61.300 0.049 0.000 1.429 118 I CB 0.274 38.354 38.000 0.133 0.000 1.371 118 I HN 0.496 nan 8.210 nan 0.000 0.569 119 A N 5.864 128.716 122.820 0.053 0.000 2.561 119 A HA 0.090 4.447 4.320 0.063 0.000 0.234 119 A C 1.153 178.769 177.584 0.052 0.000 1.055 119 A CA 0.151 52.217 52.037 0.049 0.000 0.756 119 A CB -0.319 18.701 19.000 0.035 0.000 0.986 119 A HN 0.900 nan 8.150 nan 0.000 0.505 120 N N -0.588 118.140 118.700 0.046 0.000 2.863 120 N HA -0.226 4.552 4.740 0.063 0.000 0.245 120 N C 0.568 176.101 175.510 0.038 0.000 1.001 120 N CA 1.244 54.319 53.050 0.041 0.000 0.901 120 N CB -1.453 37.058 38.487 0.039 0.000 1.124 120 N HN 0.801 nan 8.380 nan 0.000 0.582 121 I N 1.609 122.202 120.570 0.039 0.000 2.226 121 I HA -0.170 4.038 4.170 0.063 0.000 0.245 121 I C 1.681 177.807 176.117 0.015 0.000 1.100 121 I CA 1.798 63.111 61.300 0.022 0.000 1.374 121 I CB -0.097 37.906 38.000 0.005 0.000 1.057 121 I HN 0.042 nan 8.210 nan 0.000 0.413 122 D N 0.748 121.163 120.400 0.025 0.000 2.092 122 D HA -0.206 4.471 4.640 0.063 0.000 0.193 122 D C 1.842 178.154 176.300 0.019 0.000 0.994 122 D CA 1.670 55.685 54.000 0.025 0.000 0.828 122 D CB -0.490 40.334 40.800 0.039 0.000 0.963 122 D HN 0.378 nan 8.370 nan 0.000 0.450 123 D N -0.048 120.365 120.400 0.022 0.000 2.144 123 D HA -0.066 4.611 4.640 0.063 0.000 0.199 123 D C 2.251 178.559 176.300 0.014 0.000 0.984 123 D CA 0.332 54.342 54.000 0.018 0.000 0.834 123 D CB -0.216 40.597 40.800 0.020 0.000 0.955 123 D HN 0.278 nan 8.370 nan 0.000 0.465 124 I N 0.364 120.942 120.570 0.014 0.000 2.202 124 I HA -0.205 4.003 4.170 0.063 0.000 0.242 124 I C 2.303 178.420 176.117 -0.000 0.000 1.091 124 I CA 0.722 62.027 61.300 0.009 0.000 1.368 124 I CB -0.133 37.874 38.000 0.012 0.000 1.058 124 I HN -0.047 nan 8.210 nan 0.000 0.410 125 I N 0.887 121.454 120.570 -0.004 0.000 2.286 125 I HA -0.269 3.939 4.170 0.063 0.000 0.248 125 I C 2.545 178.659 176.117 -0.005 0.000 1.115 125 I CA 1.314 62.608 61.300 -0.011 0.000 1.392 125 I CB -0.387 37.603 38.000 -0.016 0.000 1.065 125 I HN 0.188 nan 8.210 nan 0.000 0.418 126 A N 0.136 122.958 122.820 0.002 0.000 2.206 126 A HA 0.224 4.582 4.320 0.063 0.000 0.211 126 A C 1.907 179.493 177.584 0.005 0.000 1.158 126 A CA 0.900 52.940 52.037 0.005 0.000 0.761 126 A CB -0.608 18.398 19.000 0.009 0.000 0.801 126 A HN 0.587 nan 8.150 nan 0.000 0.473 127 G N -0.692 108.111 108.800 0.004 0.000 2.141 127 G HA2 -0.286 3.712 3.960 0.063 0.000 0.242 127 G HA3 -0.286 3.712 3.960 0.063 0.000 0.242 127 G C 0.852 175.756 174.900 0.007 0.000 0.982 127 G CA 0.748 45.850 45.100 0.004 0.000 0.662 127 G HN 0.549 nan 8.290 nan 0.000 0.527 128 K N -0.445 119.960 120.400 0.009 0.000 2.305 128 K HA 0.144 4.501 4.320 0.063 0.000 0.199 128 K C 1.013 177.620 176.600 0.012 0.000 1.047 128 K CA 0.759 57.052 56.287 0.011 0.000 0.976 128 K CB 0.232 32.739 32.500 0.012 0.000 0.765 128 K HN 0.331 nan 8.250 nan 0.000 0.474 129 K N 0.826 121.234 120.400 0.013 0.000 2.426 129 K HA 0.296 4.654 4.320 0.063 0.000 0.251 129 K C -2.779 173.830 176.600 0.016 0.000 0.941 129 K CA -2.310 53.986 56.287 0.016 0.000 0.808 129 K CB 2.184 34.696 32.500 0.020 0.000 1.265 129 K HN -0.194 nan 8.250 nan 0.000 0.432 130 P HA 0.016 nan 4.420 nan 0.000 0.272 130 P C -0.097 177.217 177.300 0.023 0.000 1.230 130 P CA -0.073 63.039 63.100 0.019 0.000 0.788 130 P CB 0.973 32.686 31.700 0.022 0.000 0.949 131 A N 2.128 124.959 122.820 0.019 0.000 2.070 131 A HA -0.133 4.225 4.320 0.063 0.000 0.220 131 A C 1.819 179.429 177.584 0.043 0.000 1.159 131 A CA 2.066 54.117 52.037 0.022 0.000 0.656 131 A CB -1.806 17.194 19.000 0.000 0.000 0.800 131 A HN 0.678 nan 8.150 nan 0.000 0.453 132 T N -2.750 111.832 114.554 0.047 0.000 3.051 132 T HA -0.055 4.332 4.350 0.063 0.000 0.269 132 T C 0.757 175.491 174.700 0.058 0.000 1.127 132 T CA 1.262 63.398 62.100 0.061 0.000 1.107 132 T CB -0.272 68.631 68.868 0.057 0.000 0.898 132 T HN 0.320 nan 8.240 nan 0.000 0.517 133 D N 0.427 120.856 120.400 0.048 0.000 2.340 133 D HA 0.219 4.897 4.640 0.063 0.000 0.220 133 D C 0.470 176.803 176.300 0.054 0.000 1.039 133 D CA -0.251 53.776 54.000 0.045 0.000 0.866 133 D CB -0.328 40.493 40.800 0.035 0.000 0.913 133 D HN 0.309 nan 8.370 nan 0.000 0.523 134 L N 0.733 121.998 121.223 0.070 0.000 2.543 134 L HA 0.162 4.540 4.340 0.063 0.000 0.285 134 L C 1.323 178.247 176.870 0.090 0.000 1.236 134 L CA 0.300 55.195 54.840 0.093 0.000 0.871 134 L CB 0.630 42.771 42.059 0.137 0.000 1.121 134 L HN 0.049 nan 8.230 nan 0.000 0.501 135 G N 5.355 114.207 108.800 0.086 0.000 3.263 135 G HA2 0.396 4.394 3.960 0.063 0.000 0.246 135 G HA3 0.396 4.394 3.960 0.063 0.000 0.246 135 G C -0.398 174.522 174.900 0.032 0.000 0.982 135 G CA 0.393 45.525 45.100 0.053 0.000 1.897 135 G HN 0.743 nan 8.290 nan 0.000 0.624 136 V N -2.010 117.918 119.914 0.024 0.000 2.823 136 V HA 0.967 5.124 4.120 0.063 0.000 0.312 136 V C -0.666 175.381 176.094 -0.078 0.000 1.072 136 V CA -1.447 60.788 62.300 -0.109 0.000 0.937 136 V CB 2.018 33.843 31.823 0.005 0.000 1.013 136 V HN 0.513 nan 8.190 nan 0.000 0.430 137 K N 2.665 122.946 120.400 -0.198 0.000 2.551 137 K HA 0.884 5.241 4.320 0.063 0.000 0.269 137 K C -0.990 175.597 176.600 -0.021 0.000 0.949 137 K CA -0.518 55.748 56.287 -0.035 0.000 0.849 137 K CB 2.382 34.872 32.500 -0.017 0.000 1.411 137 K HN 1.303 nan 8.250 nan 0.000 0.432 138 A N 3.114 125.979 122.820 0.075 0.000 2.269 138 A HA 0.364 4.722 4.320 0.063 0.000 0.302 138 A C 0.648 178.239 177.584 0.011 0.000 1.266 138 A CA -0.909 51.134 52.037 0.009 0.000 0.894 138 A CB -0.247 18.616 19.000 -0.228 0.000 1.147 138 A HN 0.788 nan 8.150 nan 0.000 0.537 139 L N 1.070 122.292 121.223 -0.001 0.000 2.313 139 L HA 0.115 4.493 4.340 0.063 0.000 0.214 139 L C 0.456 177.348 176.870 0.037 0.000 1.119 139 L CA 0.810 55.661 54.840 0.019 0.000 0.809 139 L CB -0.510 41.555 42.059 0.010 0.000 0.933 139 L HN 0.930 nan 8.230 nan 0.000 0.449 140 D N -4.540 115.866 120.400 0.011 0.000 2.779 140 D HA 0.044 4.722 4.640 0.063 0.000 0.331 140 D C -0.074 176.162 176.300 -0.106 0.000 1.331 140 D CA -0.608 53.403 54.000 0.018 0.000 0.866 140 D CB 0.190 41.020 40.800 0.051 0.000 1.409 140 D HN -0.339 nan 8.370 nan 0.000 0.486 141 D N -1.444 118.875 120.400 -0.135 0.000 2.219 141 D HA -0.075 4.602 4.640 0.063 0.000 0.205 141 D C 0.487 176.504 176.300 -0.472 0.000 0.970 141 D CA 1.194 54.992 54.000 -0.336 0.000 0.851 141 D CB -0.073 40.498 40.800 -0.382 0.000 0.943 141 D HN 0.393 nan 8.370 nan 0.000 0.488 142 H N -0.953 118.142 119.070 0.041 0.000 2.486 142 H HA 0.309 4.903 4.556 0.063 0.000 0.284 142 H C -0.209 175.160 175.328 0.069 0.000 1.103 142 H CA 0.100 56.180 56.048 0.054 0.000 1.089 142 H CB 0.334 30.134 29.762 0.064 0.000 1.603 142 H HN -0.131 nan 8.280 nan 0.000 0.557 143 T N 1.314 115.929 114.554 0.101 0.000 3.031 143 T HA 0.192 4.580 4.350 0.063 0.000 0.305 143 T C -1.121 173.632 174.700 0.089 0.000 0.985 143 T CA -0.537 61.612 62.100 0.081 0.000 1.008 143 T CB 1.224 70.136 68.868 0.072 0.000 1.005 143 T HN 0.072 nan 8.240 nan 0.000 0.444 144 F N 2.968 122.879 119.950 -0.065 0.000 2.411 144 F HA 0.588 5.152 4.527 0.062 0.000 0.352 144 F C 0.069 175.896 175.800 0.045 0.000 1.123 144 F CA -1.050 56.906 58.000 -0.074 0.000 1.044 144 F CB 1.022 39.887 39.000 -0.225 0.000 1.135 144 F HN 0.514 nan 8.300 nan 0.000 0.461 145 E N 5.655 125.576 120.200 -0.465 0.000 2.176 145 E HA 0.552 4.940 4.350 0.063 0.000 0.267 145 E C -1.796 174.518 176.600 -0.476 0.000 0.893 145 E CA -0.733 55.468 56.400 -0.330 0.000 0.761 145 E CB 1.794 31.386 29.700 -0.181 0.000 1.133 145 E HN 0.510 nan 8.360 nan 0.000 0.409 146 V N 3.574 123.362 119.914 -0.211 0.000 2.459 146 V HA 0.375 4.532 4.120 0.063 0.000 0.295 146 V C -0.168 175.929 176.094 0.004 0.000 1.029 146 V CA -0.615 61.622 62.300 -0.104 0.000 0.874 146 V CB 1.888 33.810 31.823 0.166 0.000 0.985 146 V HN 0.711 nan 8.190 nan 0.000 0.438 147 T N 6.405 120.947 114.554 -0.020 0.000 2.792 147 T HA 0.653 5.041 4.350 0.063 0.000 0.280 147 T C -0.294 174.401 174.700 -0.009 0.000 0.990 147 T CA -0.292 61.805 62.100 -0.004 0.000 0.960 147 T CB 0.858 69.718 68.868 -0.013 0.000 0.939 147 T HN 0.356 nan 8.240 nan 0.000 0.439 148 L N 1.878 123.095 121.223 -0.010 0.000 2.358 148 L HA 0.471 4.848 4.340 0.063 0.000 0.268 148 L C 1.551 178.434 176.870 0.021 0.000 1.032 148 L CA -0.867 53.964 54.840 -0.016 0.000 0.805 148 L CB 1.290 43.317 42.059 -0.053 0.000 1.253 148 L HN 0.718 nan 8.230 nan 0.000 0.452 149 S N -1.236 114.490 115.700 0.044 0.000 2.558 149 S HA 0.084 4.591 4.470 0.063 0.000 0.217 149 S C 0.153 174.757 174.600 0.007 0.000 0.975 149 S CA -0.200 58.020 58.200 0.033 0.000 0.912 149 S CB -0.345 62.889 63.200 0.055 0.000 0.776 149 S HN 0.775 nan 8.310 nan 0.000 0.526 150 E N -0.569 119.629 120.200 -0.005 0.000 2.401 150 E HA 0.418 4.805 4.350 0.063 0.000 0.280 150 E C -3.577 173.030 176.600 0.013 0.000 1.039 150 E CA -2.623 53.763 56.400 -0.023 0.000 0.814 150 E CB 0.213 29.858 29.700 -0.093 0.000 1.275 150 E HN -0.085 nan 8.360 nan 0.000 0.448 151 P HA 0.075 nan 4.420 nan 0.000 0.267 151 P C -0.672 176.673 177.300 0.076 0.000 1.209 151 P CA -0.192 63.004 63.100 0.161 0.000 0.763 151 P CB 0.542 32.370 31.700 0.214 0.000 0.816 152 V N 6.708 126.707 119.914 0.142 0.000 2.380 152 V HA 0.176 4.334 4.120 0.063 0.000 0.272 152 V C -1.699 174.373 176.094 -0.038 0.000 1.011 152 V CA -1.346 60.882 62.300 -0.120 0.000 0.826 152 V CB 1.590 33.299 31.823 -0.190 0.000 1.040 152 V HN 0.393 nan 8.190 nan 0.000 0.441 153 P HA -0.123 nan 4.420 nan 0.000 0.220 153 P C 1.001 178.393 177.300 0.153 0.000 1.148 153 P CA 1.249 64.143 63.100 -0.343 0.000 0.803 153 P CB -0.019 31.286 31.700 -0.658 0.000 0.782 154 Y N -4.405 115.953 120.300 0.096 0.000 2.461 154 Y HA 0.318 4.906 4.550 0.062 0.000 0.277 154 Y C 1.747 177.493 175.900 -0.258 0.000 1.182 154 Y CA -1.011 57.057 58.100 -0.052 0.000 1.276 154 Y CB -1.459 36.980 38.460 -0.036 0.000 1.087 154 Y HN -0.199 nan 8.280 nan 0.000 0.519 155 F N 2.498 122.153 119.950 -0.492 0.000 2.087 155 F HA -0.307 4.260 4.527 0.066 0.000 0.299 155 F C 2.428 177.848 175.800 -0.633 0.000 1.100 155 F CA 1.888 59.486 58.000 -0.671 0.000 1.226 155 F CB -0.915 37.517 39.000 -0.946 0.000 0.983 155 F HN 0.305 nan 8.300 nan 0.000 0.479 156 Y N 0.170 120.003 120.300 -0.779 0.000 2.256 156 Y HA -0.150 4.435 4.550 0.058 0.000 0.288 156 Y C 2.052 177.731 175.900 -0.368 0.000 1.155 156 Y CA 1.551 59.306 58.100 -0.575 0.000 1.203 156 Y CB -1.548 36.791 38.460 -0.202 0.000 0.980 156 Y HN 0.053 nan 8.280 nan 0.000 0.530 157 K N 0.163 119.929 120.400 -1.056 0.000 2.211 157 K HA -0.110 4.247 4.320 0.063 0.000 0.204 157 K C 1.655 178.056 176.600 -0.333 0.000 1.047 157 K CA 1.435 57.386 56.287 -0.560 0.000 0.935 157 K CB -0.275 31.987 32.500 -0.397 0.000 0.728 157 K HN 0.280 nan 8.250 nan 0.000 0.452 158 L N 0.621 121.498 121.223 -0.576 0.000 2.275 158 L HA -0.099 4.279 4.340 0.063 0.000 0.215 158 L C 1.704 178.484 176.870 -0.150 0.000 1.119 158 L CA 1.318 55.872 54.840 -0.478 0.000 0.790 158 L CB -0.301 41.240 42.059 -0.864 0.000 0.919 158 L HN 0.143 nan 8.230 nan 0.000 0.443 159 L N -0.794 120.263 121.223 -0.277 0.000 2.551 159 L HA -0.049 4.329 4.340 0.063 0.000 0.228 159 L C 1.973 178.845 176.870 0.004 0.000 1.153 159 L CA 0.227 54.974 54.840 -0.154 0.000 0.851 159 L CB -0.624 41.257 42.059 -0.298 0.000 0.959 159 L HN 0.254 nan 8.230 nan 0.000 0.451 160 V N -4.617 115.332 119.914 0.058 0.000 3.573 160 V HA 0.009 4.166 4.120 0.063 0.000 0.270 160 V C 1.217 177.375 176.094 0.107 0.000 1.221 160 V CA 0.040 62.414 62.300 0.123 0.000 1.163 160 V CB -1.022 30.900 31.823 0.164 0.000 0.847 160 V HN 0.333 nan 8.190 nan 0.000 0.468 161 H N 1.488 120.528 119.070 -0.049 0.000 2.582 161 H HA 0.267 4.860 4.556 0.061 0.000 0.345 161 H C -1.869 173.307 175.328 -0.253 0.000 1.104 161 H CA -1.431 54.482 56.048 -0.225 0.000 1.390 161 H CB 2.226 31.700 29.762 -0.480 0.000 1.461 161 H HN 0.097 nan 8.280 nan 0.000 0.551 162 P HA -0.165 nan 4.420 nan 0.000 0.218 162 P C 1.549 178.657 177.300 -0.321 0.000 1.149 162 P CA 1.716 64.548 63.100 -0.447 0.000 0.817 162 P CB 0.144 31.557 31.700 -0.478 0.000 0.785 163 S N -0.709 114.749 115.700 -0.403 0.000 2.419 163 S HA -0.105 4.403 4.470 0.063 0.000 0.233 163 S C 1.582 176.142 174.600 -0.066 0.000 1.016 163 S CA 1.439 59.544 58.200 -0.159 0.000 0.974 163 S CB -1.618 61.430 63.200 -0.253 0.000 0.786 163 S HN 0.147 nan 8.310 nan 0.000 0.492 164 V N -0.914 118.942 119.914 -0.098 0.000 3.342 164 V HA 0.414 4.572 4.120 0.063 0.000 0.322 164 V C 0.422 176.728 176.094 0.354 0.000 1.370 164 V CA -0.608 61.675 62.300 -0.028 0.000 1.170 164 V CB -0.817 30.852 31.823 -0.255 0.000 1.101 164 V HN 0.281 nan 8.190 nan 0.000 0.442 165 S N 3.222 119.028 115.700 0.177 0.000 2.603 165 S HA 0.450 4.958 4.470 0.063 0.000 0.268 165 S C -2.185 172.452 174.600 0.062 0.000 1.317 165 S CA -0.511 57.796 58.200 0.178 0.000 1.012 165 S CB 1.045 64.309 63.200 0.107 0.000 0.926 165 S HN 0.501 nan 8.310 nan 0.000 0.539 166 P HA 0.329 nan 4.420 nan 0.000 0.277 166 P C -0.974 176.383 177.300 0.095 0.000 1.240 166 P CA -0.414 62.555 63.100 -0.217 0.000 0.798 166 P CB 0.767 32.116 31.700 -0.586 0.000 0.979 167 V N -1.880 118.082 119.914 0.080 0.000 2.914 167 V HA 0.644 4.802 4.120 0.063 0.000 0.314 167 V C -2.721 173.257 176.094 -0.195 0.000 1.084 167 V CA -3.010 59.230 62.300 -0.099 0.000 0.963 167 V CB 1.816 33.383 31.823 -0.426 0.000 1.025 167 V HN 0.355 nan 8.190 nan 0.000 0.432 168 P HA 0.259 nan 4.420 nan 0.000 0.280 168 P C 0.300 177.241 177.300 -0.598 0.000 1.386 168 P CA -0.240 62.381 63.100 -0.798 0.000 0.899 168 P CB 1.380 32.567 31.700 -0.855 0.000 1.098 169 K N 3.395 123.443 120.400 -0.585 0.000 2.059 169 K HA -0.208 4.150 4.320 0.063 0.000 0.212 169 K C 1.856 178.160 176.600 -0.493 0.000 1.050 169 K CA 2.441 58.265 56.287 -0.771 0.000 0.927 169 K CB -0.234 31.562 32.500 -1.174 0.000 0.714 169 K HN 0.423 nan 8.250 nan 0.000 0.447 170 S N -0.050 115.413 115.700 -0.395 0.000 2.383 170 S HA -0.084 4.424 4.470 0.063 0.000 0.227 170 S C 2.158 176.649 174.600 -0.181 0.000 1.026 170 S CA 0.889 58.932 58.200 -0.262 0.000 0.981 170 S CB -0.284 62.790 63.200 -0.209 0.000 0.818 170 S HN 0.421 nan 8.310 nan 0.000 0.472 171 A N 1.457 124.199 122.820 -0.131 0.000 1.897 171 A HA 0.153 4.511 4.320 0.063 0.000 0.215 171 A C 2.411 180.044 177.584 0.083 0.000 1.181 171 A CA 1.381 53.506 52.037 0.147 0.000 0.620 171 A CB -1.054 18.082 19.000 0.226 0.000 0.821 171 A HN 0.433 nan 8.150 nan 0.000 0.443 172 V N 0.124 119.850 119.914 -0.314 0.000 2.295 172 V HA -0.281 3.876 4.120 0.063 0.000 0.246 172 V C 2.445 178.477 176.094 -0.103 0.000 1.049 172 V CA 2.390 64.457 62.300 -0.388 0.000 1.024 172 V CB -0.806 30.699 31.823 -0.531 0.000 0.648 172 V HN 0.635 nan 8.190 nan 0.000 0.447 173 E N -0.266 119.850 120.200 -0.141 0.000 2.072 173 E HA -0.251 4.137 4.350 0.063 0.000 0.191 173 E C 2.310 178.827 176.600 -0.137 0.000 0.985 173 E CA 1.390 57.724 56.400 -0.111 0.000 0.801 173 E CB -0.115 29.500 29.700 -0.143 0.000 0.750 173 E HN 0.510 nan 8.360 nan 0.000 0.452 174 K N -0.108 120.147 120.400 -0.243 0.000 2.103 174 K HA -0.083 4.275 4.320 0.063 0.000 0.204 174 K C 1.187 177.487 176.600 -0.500 0.000 1.052 174 K CA 1.079 57.080 56.287 -0.478 0.000 0.945 174 K CB 0.118 32.140 32.500 -0.797 0.000 0.722 174 K HN 0.039 nan 8.250 nan 0.000 0.443 175 F N 0.077 120.068 119.950 0.068 0.000 2.704 175 F HA 0.309 4.874 4.527 0.063 0.000 0.304 175 F C 1.394 177.282 175.800 0.147 0.000 1.094 175 F CA 0.238 58.306 58.000 0.114 0.000 1.275 175 F CB 0.312 39.408 39.000 0.160 0.000 1.073 175 F HN 0.262 nan 8.300 nan 0.000 0.586 176 G N 1.891 110.861 108.800 0.284 0.000 2.596 176 G HA2 -0.459 3.539 3.960 0.063 0.000 0.295 176 G HA3 -0.459 3.539 3.960 0.063 0.000 0.295 176 G C 0.874 175.999 174.900 0.374 0.000 1.240 176 G CA 0.724 45.974 45.100 0.249 0.000 0.985 176 G HN 0.372 nan 8.290 nan 0.000 0.555 177 D N 0.420 120.975 120.400 0.258 0.000 2.311 177 D HA -0.066 4.612 4.640 0.063 0.000 0.212 177 D C 1.735 178.129 176.300 0.157 0.000 0.972 177 D CA 1.839 55.967 54.000 0.214 0.000 0.887 177 D CB -0.222 40.651 40.800 0.121 0.000 0.915 177 D HN 0.635 nan 8.370 nan 0.000 0.497 178 K N 0.228 120.739 120.400 0.186 0.000 2.437 178 K HA 0.078 4.435 4.320 0.063 0.000 0.198 178 K C 1.403 178.079 176.600 0.127 0.000 1.024 178 K CA -0.235 56.112 56.287 0.101 0.000 1.148 178 K CB -0.152 32.403 32.500 0.092 0.000 0.860 178 K HN 0.405 nan 8.250 nan 0.000 0.515 179 W N 1.145 122.523 121.300 0.130 0.000 2.392 179 W HA -0.146 4.551 4.660 0.062 0.000 0.279 179 W C 0.978 177.539 176.519 0.069 0.000 1.225 179 W CA 1.511 58.925 57.345 0.115 0.000 1.233 179 W CB -0.980 28.587 29.460 0.179 0.000 1.122 179 W HN -0.031 nan 8.180 nan 0.000 0.561 180 T N -0.760 113.465 114.554 -0.549 0.000 3.148 180 T HA -0.026 4.362 4.350 0.063 0.000 0.253 180 T C 0.932 175.591 174.700 -0.068 0.000 1.134 180 T CA 0.205 62.010 62.100 -0.492 0.000 1.051 180 T CB -0.218 68.312 68.868 -0.563 0.000 0.959 180 T HN -0.047 nan 8.240 nan 0.000 0.525 181 Q N 1.763 121.537 119.800 -0.043 0.000 2.432 181 Q HA 0.181 4.559 4.340 0.063 0.000 0.264 181 Q C -1.610 174.385 176.000 -0.009 0.000 1.035 181 Q CA -1.968 53.834 55.803 -0.002 0.000 0.908 181 Q CB 0.882 29.572 28.738 -0.080 0.000 1.280 181 Q HN 0.137 nan 8.270 nan 0.000 0.455 182 P HA -0.198 nan 4.420 nan 0.000 0.216 182 P C 0.712 177.999 177.300 -0.022 0.000 1.153 182 P CA 2.208 65.320 63.100 0.020 0.000 0.858 182 P CB 0.159 31.883 31.700 0.039 0.000 0.789 183 A N -0.939 121.844 122.820 -0.062 0.000 2.015 183 A HA -0.164 4.194 4.320 0.063 0.000 0.219 183 A C 1.880 179.361 177.584 -0.173 0.000 1.163 183 A CA 1.684 53.665 52.037 -0.093 0.000 0.646 183 A CB -0.849 18.091 19.000 -0.099 0.000 0.806 183 A HN 0.178 nan 8.150 nan 0.000 0.448 184 N N -1.200 117.343 118.700 -0.261 0.000 2.407 184 N HA 0.178 4.956 4.740 0.063 0.000 0.182 184 N C 0.493 175.960 175.510 -0.072 0.000 1.079 184 N CA -0.175 52.616 53.050 -0.431 0.000 0.882 184 N CB 0.091 38.027 38.487 -0.919 0.000 1.106 184 N HN 0.504 nan 8.380 nan 0.000 0.461 185 I N 1.912 122.497 120.570 0.025 0.000 2.813 185 I HA -0.028 4.180 4.170 0.063 0.000 0.287 185 I C -0.617 175.619 176.117 0.199 0.000 1.196 185 I CA 0.063 61.477 61.300 0.190 0.000 1.421 185 I CB 0.679 38.732 38.000 0.088 0.000 1.365 185 I HN -0.290 nan 8.210 nan 0.000 0.591 186 V N 5.904 126.003 119.914 0.308 0.000 2.540 186 V HA 0.489 4.647 4.120 0.063 0.000 0.302 186 V C -0.107 176.257 176.094 0.450 0.000 1.035 186 V CA -0.443 62.014 62.300 0.262 0.000 0.873 186 V CB 1.829 33.700 31.823 0.080 0.000 0.992 186 V HN 0.873 nan 8.190 nan 0.000 0.428 187 T N 0.062 114.855 114.554 0.398 0.000 2.906 187 T HA 0.460 4.847 4.350 0.063 0.000 0.295 187 T C 0.117 174.993 174.700 0.293 0.000 1.061 187 T CA -0.714 61.533 62.100 0.245 0.000 1.000 187 T CB 2.046 70.761 68.868 -0.255 0.000 1.103 187 T HN 0.639 nan 8.240 nan 0.000 0.486 188 N N -0.107 118.621 118.700 0.047 0.000 2.170 188 N HA 0.213 4.991 4.740 0.063 0.000 0.222 188 N C 0.628 176.126 175.510 -0.021 0.000 1.218 188 N CA -0.355 52.628 53.050 -0.111 0.000 0.889 188 N CB 0.388 38.481 38.487 -0.657 0.000 1.083 188 N HN 0.820 nan 8.380 nan 0.000 0.520 189 G N 0.009 108.723 108.800 -0.142 0.000 2.535 189 G HA2 0.496 4.494 3.960 0.063 0.000 0.282 189 G HA3 0.496 4.494 3.960 0.063 0.000 0.282 189 G C 0.812 175.313 174.900 -0.666 0.000 1.350 189 G CA -0.004 44.910 45.100 -0.309 0.000 1.039 189 G HN 0.217 nan 8.290 nan 0.000 0.509 190 A N -1.710 120.524 122.820 -0.976 0.000 2.119 190 A HA 0.295 4.653 4.320 0.063 0.000 0.217 190 A C 0.361 177.410 177.584 -0.892 0.000 1.153 190 A CA 0.859 52.237 52.037 -1.099 0.000 0.692 190 A CB -0.314 18.164 19.000 -0.870 0.000 0.799 190 A HN 0.458 nan 8.150 nan 0.000 0.458 191 Y N -1.201 118.956 120.300 -0.238 0.000 2.630 191 Y HA 0.579 5.165 4.550 0.059 0.000 0.337 191 Y C 0.211 176.030 175.900 -0.134 0.000 1.051 191 Y CA -0.953 57.065 58.100 -0.137 0.000 1.121 191 Y CB 1.549 39.946 38.460 -0.105 0.000 1.299 191 Y HN -0.086 nan 8.280 nan 0.000 0.498 192 K N 1.087 121.526 120.400 0.066 0.000 2.395 192 K HA 0.503 4.861 4.320 0.063 0.000 0.247 192 K C -1.756 174.855 176.600 0.018 0.000 0.973 192 K CA -1.221 55.072 56.287 0.011 0.000 0.828 192 K CB 2.635 35.150 32.500 0.026 0.000 1.272 192 K HN 0.418 nan 8.250 nan 0.000 0.439 193 L N 2.534 123.746 121.223 -0.018 0.000 2.313 193 L HA 0.158 4.535 4.340 0.063 0.000 0.282 193 L C 1.023 177.906 176.870 0.021 0.000 1.092 193 L CA 0.651 55.481 54.840 -0.016 0.000 0.831 193 L CB 0.631 42.665 42.059 -0.042 0.000 1.159 193 L HN 0.695 nan 8.230 nan 0.000 0.442 194 K N 3.451 123.871 120.400 0.033 0.000 2.121 194 K HA 0.203 4.560 4.320 0.063 0.000 0.203 194 K C -0.159 176.473 176.600 0.053 0.000 1.041 194 K CA 0.356 56.668 56.287 0.041 0.000 0.969 194 K CB 0.402 32.927 32.500 0.041 0.000 0.799 194 K HN 0.740 nan 8.250 nan 0.000 0.456 195 N N -0.720 118.021 118.700 0.069 0.000 2.277 195 N HA 0.111 4.889 4.740 0.063 0.000 0.286 195 N C -2.094 173.530 175.510 0.190 0.000 1.140 195 N CA -0.489 52.622 53.050 0.102 0.000 0.799 195 N CB 1.608 40.140 38.487 0.076 0.000 1.596 195 N HN 0.099 nan 8.380 nan 0.000 0.473 196 W N 2.717 124.000 121.300 -0.029 0.000 2.664 196 W HA 0.434 5.134 4.660 0.066 0.000 0.314 196 W C -1.969 174.533 176.519 -0.029 0.000 1.010 196 W CA -0.667 56.658 57.345 -0.033 0.000 1.306 196 W CB 0.338 29.767 29.460 -0.051 0.000 1.254 196 W HN 0.102 nan 8.180 nan 0.000 0.404 197 V N 6.944 127.011 119.914 0.255 0.000 2.311 197 V HA 0.213 4.371 4.120 0.063 0.000 0.275 197 V C 0.359 176.507 176.094 0.091 0.000 1.022 197 V CA -0.950 61.393 62.300 0.072 0.000 0.830 197 V CB 0.947 32.806 31.823 0.061 0.000 1.012 197 V HN 0.198 nan 8.190 nan 0.000 0.452 198 V N 5.747 125.618 119.914 -0.070 0.000 2.557 198 V HA 0.035 4.193 4.120 0.063 0.000 0.301 198 V C 1.240 177.359 176.094 0.042 0.000 1.026 198 V CA 0.821 63.114 62.300 -0.012 0.000 1.137 198 V CB -0.447 31.285 31.823 -0.151 0.000 0.917 198 V HN 1.147 nan 8.190 nan 0.000 0.484 199 N N 2.110 120.864 118.700 0.090 0.000 2.800 199 N HA -0.210 4.567 4.740 0.063 0.000 0.250 199 N C 0.901 176.439 175.510 0.047 0.000 1.078 199 N CA 1.158 54.242 53.050 0.057 0.000 0.804 199 N CB -0.438 38.068 38.487 0.032 0.000 1.135 199 N HN 0.898 nan 8.380 nan 0.000 0.565 200 E N -0.190 120.050 120.200 0.067 0.000 3.441 200 E HA 0.242 4.630 4.350 0.063 0.000 0.195 200 E C -0.049 176.588 176.600 0.060 0.000 1.172 200 E CA 0.094 56.525 56.400 0.051 0.000 1.457 200 E CB 0.765 30.490 29.700 0.042 0.000 1.388 200 E HN 0.353 nan 8.360 nan 0.000 0.551 201 R N -0.066 120.492 120.500 0.097 0.000 2.687 201 R HA 0.437 4.815 4.340 0.063 0.000 0.265 201 R C -1.705 174.673 176.300 0.130 0.000 1.048 201 R CA -0.661 55.491 56.100 0.087 0.000 0.884 201 R CB 0.493 30.824 30.300 0.052 0.000 1.258 201 R HN -0.016 nan 8.270 nan 0.000 0.469 202 I N 2.176 122.792 120.570 0.076 0.000 2.406 202 I HA 0.390 4.598 4.170 0.063 0.000 0.290 202 I C -0.739 175.402 176.117 0.041 0.000 0.999 202 I CA -1.229 60.083 61.300 0.020 0.000 1.124 202 I CB 2.259 40.168 38.000 -0.152 0.000 1.289 202 I HN 0.322 nan 8.210 nan 0.000 0.441 203 V N 7.398 127.333 119.914 0.035 0.000 2.409 203 V HA 0.453 4.610 4.120 0.063 0.000 0.291 203 V C -0.053 176.052 176.094 0.019 0.000 1.020 203 V CA -0.568 61.746 62.300 0.023 0.000 0.848 203 V CB 1.707 33.546 31.823 0.026 0.000 0.990 203 V HN 0.471 nan 8.190 nan 0.000 0.430 204 L N 5.135 126.363 121.223 0.009 0.000 2.325 204 L HA 0.719 5.096 4.340 0.063 0.000 0.278 204 L C 0.089 177.024 176.870 0.108 0.000 1.023 204 L CA -0.487 54.373 54.840 0.034 0.000 0.811 204 L CB 1.821 43.863 42.059 -0.029 0.000 1.249 204 L HN 0.802 nan 8.230 nan 0.000 0.431 205 E N 2.570 122.881 120.200 0.185 0.000 2.288 205 E HA 0.407 4.795 4.350 0.063 0.000 0.268 205 E C -0.808 175.930 176.600 0.231 0.000 0.885 205 E CA -1.102 55.420 56.400 0.204 0.000 0.767 205 E CB 2.176 31.935 29.700 0.098 0.000 1.220 205 E HN 0.438 nan 8.360 nan 0.000 0.427 206 R N 1.798 122.378 120.500 0.134 0.000 2.583 206 R HA -0.071 4.307 4.340 0.063 0.000 0.274 206 R C -0.645 175.569 176.300 -0.143 0.000 0.998 206 R CA 0.121 56.103 56.100 -0.198 0.000 1.081 206 R CB 0.252 30.474 30.300 -0.131 0.000 0.940 206 R HN 0.609 nan 8.270 nan 0.000 0.413 207 N N 5.908 124.469 118.700 -0.232 0.000 2.462 207 N HA 0.180 4.957 4.740 0.063 0.000 0.242 207 N C -1.954 173.535 175.510 -0.036 0.000 1.010 207 N CA -2.320 50.677 53.050 -0.088 0.000 0.939 207 N CB 1.448 39.877 38.487 -0.095 0.000 1.127 207 N HN 0.365 nan 8.380 nan 0.000 0.509 208 P HA -0.110 nan 4.420 nan 0.000 0.222 208 P C 0.508 177.832 177.300 0.039 0.000 1.147 208 P CA 1.024 64.131 63.100 0.011 0.000 0.790 208 P CB 0.491 32.200 31.700 0.016 0.000 0.780 209 Q N -1.613 118.228 119.800 0.068 0.000 2.451 209 Q HA -0.024 4.354 4.340 0.063 0.000 0.206 209 Q C 0.513 176.587 176.000 0.124 0.000 0.947 209 Q CA -0.085 55.775 55.803 0.096 0.000 0.937 209 Q CB -0.787 28.025 28.738 0.124 0.000 1.025 209 Q HN 0.352 nan 8.270 nan 0.000 0.511 210 Y N 2.123 122.398 120.300 -0.042 0.000 2.620 210 Y HA -0.163 4.422 4.550 0.058 0.000 0.330 210 Y C 1.359 177.221 175.900 -0.063 0.000 1.186 210 Y CA -0.611 57.438 58.100 -0.084 0.000 1.467 210 Y CB 0.313 38.643 38.460 -0.216 0.000 1.262 210 Y HN 0.236 nan 8.280 nan 0.000 0.550 211 W N 4.116 125.099 121.300 -0.528 0.000 2.325 211 W HA -0.213 4.483 4.660 0.059 0.000 0.299 211 W C 0.190 176.397 176.519 -0.520 0.000 1.215 211 W CA 1.464 58.539 57.345 -0.450 0.000 1.244 211 W CB -0.399 28.848 29.460 -0.356 0.000 1.140 211 W HN 0.542 nan 8.180 nan 0.000 0.523 212 D N 0.678 119.983 120.400 -1.825 0.000 2.491 212 D HA -0.003 4.675 4.640 0.063 0.000 0.228 212 D C 1.402 177.387 176.300 -0.525 0.000 1.183 212 D CA 0.009 53.277 54.000 -1.220 0.000 0.827 212 D CB -0.661 39.038 40.800 -1.836 0.000 0.989 212 D HN 0.033 nan 8.370 nan 0.000 0.494 213 N N 0.392 118.909 118.700 -0.305 0.000 2.137 213 N HA -0.203 4.575 4.740 0.063 0.000 0.190 213 N C 1.701 177.168 175.510 -0.072 0.000 1.017 213 N CA 1.684 54.691 53.050 -0.072 0.000 0.859 213 N CB -0.013 38.452 38.487 -0.035 0.000 1.002 213 N HN 0.158 nan 8.380 nan 0.000 0.428 214 A N 0.176 122.948 122.820 -0.081 0.000 2.076 214 A HA -0.134 4.224 4.320 0.063 0.000 0.220 214 A C 1.881 179.438 177.584 -0.045 0.000 1.160 214 A CA 1.330 53.338 52.037 -0.049 0.000 0.653 214 A CB -0.314 18.663 19.000 -0.037 0.000 0.801 214 A HN 0.406 nan 8.150 nan 0.000 0.455 215 K N -0.479 119.883 120.400 -0.063 0.000 2.393 215 K HA 0.052 4.410 4.320 0.063 0.000 0.193 215 K C -0.157 176.439 176.600 -0.006 0.000 1.026 215 K CA 0.208 56.472 56.287 -0.037 0.000 1.064 215 K CB 0.101 32.568 32.500 -0.054 0.000 0.833 215 K HN 0.306 nan 8.250 nan 0.000 0.521 216 T N 1.105 115.652 114.554 -0.011 0.000 2.870 216 T HA 0.076 4.464 4.350 0.063 0.000 0.300 216 T C 1.279 176.004 174.700 0.040 0.000 0.989 216 T CA -0.183 61.925 62.100 0.014 0.000 1.139 216 T CB 1.759 70.588 68.868 -0.066 0.000 0.920 216 T HN -0.189 nan 8.240 nan 0.000 0.537 217 V N 2.913 122.886 119.914 0.099 0.000 2.911 217 V HA 0.169 4.327 4.120 0.063 0.000 0.237 217 V C 0.993 177.168 176.094 0.135 0.000 1.156 217 V CA 0.164 62.530 62.300 0.110 0.000 1.180 217 V CB 0.140 32.049 31.823 0.144 0.000 0.932 217 V HN 0.723 nan 8.190 nan 0.000 0.483 218 I N 2.721 123.403 120.570 0.187 0.000 2.598 218 I HA 0.067 4.275 4.170 0.063 0.000 0.284 218 I C 1.005 177.261 176.117 0.231 0.000 1.140 218 I CA 0.570 61.982 61.300 0.187 0.000 1.420 218 I CB 0.443 38.542 38.000 0.165 0.000 1.387 218 I HN 0.327 nan 8.210 nan 0.000 0.553 219 N N 4.385 123.179 118.700 0.157 0.000 2.395 219 N HA -0.025 4.753 4.740 0.063 0.000 0.175 219 N C 0.448 176.070 175.510 0.187 0.000 1.029 219 N CA 0.517 53.656 53.050 0.148 0.000 0.897 219 N CB 0.592 39.126 38.487 0.078 0.000 0.991 219 N HN 0.652 nan 8.380 nan 0.000 0.441 220 Q N 0.507 120.385 119.800 0.131 0.000 2.295 220 Q HA 0.390 4.768 4.340 0.063 0.000 0.268 220 Q C -2.127 173.842 176.000 -0.050 0.000 1.010 220 Q CA -0.420 55.421 55.803 0.064 0.000 0.856 220 Q CB 2.363 31.122 28.738 0.035 0.000 1.349 220 Q HN -0.107 nan 8.270 nan 0.000 0.412 221 V N 2.838 122.658 119.914 -0.157 0.000 2.656 221 V HA 0.725 4.882 4.120 0.063 0.000 0.307 221 V C -1.249 174.709 176.094 -0.226 0.000 1.051 221 V CA -0.029 62.107 62.300 -0.273 0.000 0.893 221 V CB 2.357 33.901 31.823 -0.466 0.000 0.999 221 V HN 0.894 nan 8.190 nan 0.000 0.426 222 T N 6.557 120.961 114.554 -0.251 0.000 2.797 222 T HA 0.594 4.982 4.350 0.063 0.000 0.279 222 T C -1.363 173.169 174.700 -0.279 0.000 0.991 222 T CA 0.077 62.081 62.100 -0.160 0.000 0.979 222 T CB 0.899 69.711 68.868 -0.094 0.000 0.943 222 T HN 0.567 nan 8.240 nan 0.000 0.444 223 Y N 2.637 122.871 120.300 -0.110 0.000 2.331 223 Y HA 0.559 5.145 4.550 0.060 0.000 0.338 223 Y C 0.137 175.982 175.900 -0.091 0.000 0.992 223 Y CA -0.924 57.106 58.100 -0.117 0.000 1.121 223 Y CB 0.959 39.324 38.460 -0.157 0.000 1.184 223 Y HN 0.385 nan 8.280 nan 0.000 0.469 224 L N 5.936 127.186 121.223 0.044 0.000 2.334 224 L HA 0.526 4.904 4.340 0.063 0.000 0.270 224 L C -2.012 174.846 176.870 -0.019 0.000 1.018 224 L CA -1.964 52.882 54.840 0.011 0.000 0.811 224 L CB 2.079 44.132 42.059 -0.009 0.000 1.271 224 L HN 0.422 nan 8.230 nan 0.000 0.443 225 P HA 0.262 nan 4.420 nan 0.000 0.253 225 P C -0.362 176.890 177.300 -0.080 0.000 1.863 225 P CA -0.076 62.985 63.100 -0.065 0.000 1.145 225 P CB 0.022 31.718 31.700 -0.006 0.000 1.666 226 I N 1.197 121.717 120.570 -0.083 0.000 2.379 226 I HA 0.036 4.244 4.170 0.063 0.000 0.290 226 I C 1.653 177.709 176.117 -0.101 0.000 1.063 226 I CA 0.087 61.348 61.300 -0.065 0.000 1.351 226 I CB 0.907 38.886 38.000 -0.034 0.000 1.410 226 I HN 0.022 nan 8.210 nan 0.000 0.505 227 S N 2.299 117.950 115.700 -0.082 0.000 2.528 227 S HA -0.015 4.493 4.470 0.063 0.000 0.219 227 S C 0.979 175.552 174.600 -0.045 0.000 0.985 227 S CA -0.334 57.813 58.200 -0.089 0.000 0.914 227 S CB 0.111 63.276 63.200 -0.058 0.000 0.776 227 S HN 0.603 nan 8.310 nan 0.000 0.526 228 S N 1.318 117.003 115.700 -0.025 0.000 2.422 228 S HA 0.254 4.762 4.470 0.063 0.000 0.283 228 S C 0.644 175.236 174.600 -0.014 0.000 1.163 228 S CA -0.542 57.650 58.200 -0.012 0.000 1.054 228 S CB 0.727 63.926 63.200 -0.001 0.000 0.967 228 S HN 0.350 nan 8.310 nan 0.000 0.499 229 E N 3.561 123.749 120.200 -0.019 0.000 2.150 229 E HA -0.076 4.312 4.350 0.063 0.000 0.193 229 E C 1.893 178.487 176.600 -0.009 0.000 0.985 229 E CA 1.010 57.401 56.400 -0.014 0.000 0.814 229 E CB -0.165 29.514 29.700 -0.034 0.000 0.752 229 E HN 0.579 nan 8.360 nan 0.000 0.466 230 V N 0.775 120.685 119.914 -0.007 0.000 2.295 230 V HA -0.281 3.877 4.120 0.063 0.000 0.246 230 V C 2.118 178.218 176.094 0.010 0.000 1.049 230 V CA 2.243 64.544 62.300 0.002 0.000 1.024 230 V CB -0.804 31.020 31.823 0.002 0.000 0.648 230 V HN 0.353 nan 8.190 nan 0.000 0.447 231 T N -0.529 114.030 114.554 0.008 0.000 2.746 231 T HA -0.222 4.166 4.350 0.063 0.000 0.267 231 T C 1.766 176.478 174.700 0.021 0.000 1.039 231 T CA 1.714 63.822 62.100 0.013 0.000 1.142 231 T CB -0.389 68.483 68.868 0.008 0.000 0.866 231 T HN 0.534 nan 8.240 nan 0.000 0.444 232 D N 1.071 121.480 120.400 0.016 0.000 2.092 232 D HA -0.095 4.582 4.640 0.063 0.000 0.193 232 D C 2.199 178.526 176.300 0.045 0.000 0.994 232 D CA 0.879 54.894 54.000 0.025 0.000 0.828 232 D CB -0.542 40.268 40.800 0.016 0.000 0.963 232 D HN 0.179 nan 8.370 nan 0.000 0.450 233 V N 1.233 121.159 119.914 0.020 0.000 2.324 233 V HA -0.277 3.881 4.120 0.063 0.000 0.250 233 V C 2.279 178.429 176.094 0.094 0.000 1.060 233 V CA 1.904 64.221 62.300 0.027 0.000 1.042 233 V CB -0.682 31.140 31.823 -0.002 0.000 0.650 233 V HN 0.252 nan 8.190 nan 0.000 0.450 234 N N 0.453 119.190 118.700 0.062 0.000 2.069 234 N HA -0.167 4.611 4.740 0.063 0.000 0.191 234 N C 1.935 177.487 175.510 0.069 0.000 1.031 234 N CA 1.523 54.608 53.050 0.058 0.000 0.852 234 N CB -0.392 38.116 38.487 0.035 0.000 1.018 234 N HN 0.501 nan 8.380 nan 0.000 0.423 235 R N -0.724 119.817 120.500 0.068 0.000 2.236 235 R HA -0.040 4.338 4.340 0.063 0.000 0.208 235 R C 1.807 178.155 176.300 0.079 0.000 1.036 235 R CA 0.352 56.487 56.100 0.057 0.000 1.001 235 R CB -0.218 30.105 30.300 0.039 0.000 0.896 235 R HN 0.357 nan 8.270 nan 0.000 0.464 236 Y N 1.378 121.666 120.300 -0.020 0.000 2.184 236 Y HA -0.086 4.501 4.550 0.060 0.000 0.290 236 Y C 1.959 177.847 175.900 -0.020 0.000 1.129 236 Y CA 1.332 59.412 58.100 -0.034 0.000 1.144 236 Y CB 0.134 38.559 38.460 -0.059 0.000 0.995 236 Y HN -0.209 nan 8.280 nan 0.000 0.513 237 R N -0.069 120.529 120.500 0.164 0.000 2.235 237 R HA -0.077 4.300 4.340 0.063 0.000 0.213 237 R C 2.397 178.698 176.300 0.001 0.000 1.059 237 R CA 1.093 57.234 56.100 0.068 0.000 0.997 237 R CB -0.335 30.039 30.300 0.123 0.000 0.884 237 R HN 0.485 nan 8.270 nan 0.000 0.462 238 S N -1.087 114.617 115.700 0.008 0.000 2.489 238 S HA 0.051 4.558 4.470 0.063 0.000 0.228 238 S C 1.502 176.097 174.600 -0.008 0.000 0.995 238 S CA 0.838 59.041 58.200 0.004 0.000 0.934 238 S CB 0.548 63.755 63.200 0.012 0.000 0.771 238 S HN 0.468 nan 8.310 nan 0.000 0.522 239 G N 0.938 109.714 108.800 -0.039 0.000 2.253 239 G HA2 -0.268 3.730 3.960 0.063 0.000 0.209 239 G HA3 -0.268 3.730 3.960 0.063 0.000 0.209 239 G C 0.675 175.572 174.900 -0.005 0.000 0.997 239 G CA 0.447 45.539 45.100 -0.013 0.000 0.640 239 G HN 0.517 nan 8.290 nan 0.000 0.496 240 E N 0.012 120.206 120.200 -0.010 0.000 2.072 240 E HA 0.103 4.491 4.350 0.063 0.000 0.191 240 E C 0.889 177.487 176.600 -0.004 0.000 0.985 240 E CA 0.497 56.896 56.400 -0.001 0.000 0.801 240 E CB -0.027 29.674 29.700 0.003 0.000 0.750 240 E HN 0.602 nan 8.360 nan 0.000 0.452 241 I N 1.609 122.173 120.570 -0.010 0.000 2.392 241 I HA 0.050 4.258 4.170 0.063 0.000 0.295 241 I C 0.417 176.516 176.117 -0.030 0.000 0.985 241 I CA -0.545 60.762 61.300 0.010 0.000 1.221 241 I CB 1.561 39.609 38.000 0.080 0.000 1.366 241 I HN 0.003 nan 8.210 nan 0.000 0.467 242 D N 5.366 125.755 120.400 -0.019 0.000 2.277 242 D HA 0.141 4.819 4.640 0.063 0.000 0.209 242 D C 0.203 176.502 176.300 -0.000 0.000 0.970 242 D CA 1.295 55.254 54.000 -0.068 0.000 0.874 242 D CB 0.535 41.321 40.800 -0.023 0.000 0.982 242 D HN 0.408 nan 8.370 nan 0.000 0.504 243 M N 0.963 120.562 119.600 -0.001 0.000 2.165 243 M HA 0.169 4.686 4.480 0.063 0.000 0.283 243 M C -0.178 176.083 176.300 -0.066 0.000 0.978 243 M CA -0.495 54.757 55.300 -0.079 0.000 0.948 243 M CB 2.536 34.994 32.600 -0.236 0.000 1.599 243 M HN -0.221 nan 8.290 nan 0.000 0.450 244 T N -0.682 113.800 114.554 -0.121 0.000 2.726 244 T HA 0.244 4.632 4.350 0.063 0.000 0.294 244 T C -0.211 174.446 174.700 -0.071 0.000 1.013 244 T CA -0.245 61.799 62.100 -0.094 0.000 0.996 244 T CB 0.874 69.628 68.868 -0.189 0.000 1.016 244 T HN 0.481 nan 8.240 nan 0.000 0.529 245 Y N 1.955 122.177 120.300 -0.129 0.000 2.357 245 Y HA 0.245 4.835 4.550 0.065 0.000 0.340 245 Y C 0.844 176.672 175.900 -0.120 0.000 1.260 245 Y CA -0.964 57.065 58.100 -0.119 0.000 1.425 245 Y CB 0.463 38.860 38.460 -0.106 0.000 1.326 245 Y HN 0.800 nan 8.280 nan 0.000 0.580 246 N N 3.057 121.217 118.700 -0.900 0.000 3.301 246 N HA 0.173 4.951 4.740 0.063 0.000 0.289 246 N C -1.756 173.508 175.510 -0.410 0.000 1.343 246 N CA -0.319 52.404 53.050 -0.546 0.000 1.136 246 N CB -0.440 37.751 38.487 -0.493 0.000 1.402 246 N HN 0.393 nan 8.380 nan 0.000 0.516 247 N N 0.952 119.531 118.700 -0.202 0.000 2.500 247 N HA 0.316 5.093 4.740 0.063 0.000 0.291 247 N C -1.093 174.378 175.510 -0.066 0.000 1.092 247 N CA -0.266 52.778 53.050 -0.009 0.000 0.890 247 N CB 1.350 39.928 38.487 0.153 0.000 1.466 247 N HN 0.233 nan 8.380 nan 0.000 0.507 248 M N 2.814 122.330 119.600 -0.141 0.000 2.404 248 M HA 0.485 5.003 4.480 0.063 0.000 0.338 248 M C -2.281 173.923 176.300 -0.161 0.000 1.150 248 M CA -1.993 53.198 55.300 -0.181 0.000 1.016 248 M CB 1.716 34.082 32.600 -0.390 0.000 1.672 248 M HN 0.217 nan 8.290 nan 0.000 0.448 249 P HA 0.245 nan 4.420 nan 0.000 0.279 249 P C 0.520 177.799 177.300 -0.035 0.000 1.239 249 P CA -0.178 62.888 63.100 -0.056 0.000 0.789 249 P CB 1.130 32.820 31.700 -0.017 0.000 0.933 250 I N 1.507 122.046 120.570 -0.052 0.000 2.394 250 I HA -0.229 3.979 4.170 0.063 0.000 0.251 250 I C 1.991 178.114 176.117 0.009 0.000 1.136 250 I CA 1.415 62.697 61.300 -0.030 0.000 1.425 250 I CB -0.401 37.565 38.000 -0.057 0.000 1.079 250 I HN 0.342 nan 8.210 nan 0.000 0.425 251 E N 0.892 121.093 120.200 0.002 0.000 2.085 251 E HA -0.170 4.218 4.350 0.063 0.000 0.194 251 E C 1.908 178.521 176.600 0.021 0.000 0.994 251 E CA 1.334 57.739 56.400 0.007 0.000 0.801 251 E CB -0.009 29.692 29.700 0.002 0.000 0.743 251 E HN 0.477 nan 8.360 nan 0.000 0.453 252 L N -1.619 119.629 121.223 0.041 0.000 2.749 252 L HA 0.206 4.583 4.340 0.063 0.000 0.242 252 L C 1.579 178.486 176.870 0.063 0.000 1.103 252 L CA -0.285 54.578 54.840 0.038 0.000 0.906 252 L CB -0.025 42.051 42.059 0.030 0.000 1.228 252 L HN 0.043 nan 8.230 nan 0.000 0.517 253 F N 2.135 122.048 119.950 -0.062 0.000 2.091 253 F HA -0.274 4.289 4.527 0.060 0.000 0.299 253 F C 2.636 178.399 175.800 -0.063 0.000 1.103 253 F CA 1.803 59.760 58.000 -0.070 0.000 1.228 253 F CB -0.012 38.941 39.000 -0.079 0.000 0.984 253 F HN 0.066 nan 8.300 nan 0.000 0.477 254 Q N 0.657 120.432 119.800 -0.041 0.000 2.030 254 Q HA -0.212 4.166 4.340 0.063 0.000 0.204 254 Q C 2.326 178.216 176.000 -0.184 0.000 0.986 254 Q CA 1.544 57.262 55.803 -0.141 0.000 0.843 254 Q CB -0.799 27.916 28.738 -0.039 0.000 0.904 254 Q HN 0.323 nan 8.270 nan 0.000 0.420 255 K N 0.654 120.987 120.400 -0.112 0.000 2.020 255 K HA -0.104 4.254 4.320 0.063 0.000 0.212 255 K C 2.312 178.830 176.600 -0.136 0.000 1.050 255 K CA 0.973 57.201 56.287 -0.098 0.000 0.929 255 K CB -0.626 31.842 32.500 -0.054 0.000 0.714 255 K HN 0.248 nan 8.250 nan 0.000 0.443 256 L N 0.831 121.954 121.223 -0.166 0.000 2.081 256 L HA -0.225 4.152 4.340 0.063 0.000 0.212 256 L C 2.479 179.194 176.870 -0.257 0.000 1.080 256 L CA 1.149 55.878 54.840 -0.186 0.000 0.754 256 L CB -0.479 41.471 42.059 -0.181 0.000 0.893 256 L HN 0.066 nan 8.230 nan 0.000 0.433 257 K N 0.468 120.624 120.400 -0.406 0.000 2.057 257 K HA -0.149 4.209 4.320 0.063 0.000 0.207 257 K C 2.060 178.535 176.600 -0.209 0.000 1.049 257 K CA 1.458 57.521 56.287 -0.374 0.000 0.931 257 K CB -0.015 32.203 32.500 -0.470 0.000 0.714 257 K HN 0.089 nan 8.250 nan 0.000 0.440 258 K N 0.408 120.705 120.400 -0.171 0.000 2.137 258 K HA 0.007 4.365 4.320 0.063 0.000 0.202 258 K C 1.996 178.544 176.600 -0.086 0.000 1.052 258 K CA 0.972 57.193 56.287 -0.110 0.000 0.961 258 K CB 0.025 32.471 32.500 -0.091 0.000 0.741 258 K HN 0.323 nan 8.250 nan 0.000 0.452 259 E N 0.767 120.914 120.200 -0.087 0.000 2.051 259 E HA -0.026 4.362 4.350 0.063 0.000 0.189 259 E C 0.985 177.555 176.600 -0.052 0.000 0.979 259 E CA 0.879 57.244 56.400 -0.058 0.000 0.803 259 E CB 0.151 29.822 29.700 -0.047 0.000 0.761 259 E HN 0.336 nan 8.360 nan 0.000 0.451 260 I N -2.210 118.320 120.570 -0.067 0.000 2.925 260 I HA 0.254 4.462 4.170 0.063 0.000 0.296 260 I C -2.300 173.774 176.117 -0.072 0.000 1.413 260 I CA -1.788 59.482 61.300 -0.051 0.000 0.932 260 I CB 1.279 39.267 38.000 -0.020 0.000 1.873 260 I HN -0.220 nan 8.210 nan 0.000 0.619 261 P HA -0.179 nan 4.420 nan 0.000 0.216 261 P C 0.892 178.153 177.300 -0.065 0.000 1.153 261 P CA 1.599 64.650 63.100 -0.082 0.000 0.858 261 P CB 0.092 31.751 31.700 -0.068 0.000 0.789 262 N N 0.098 118.767 118.700 -0.050 0.000 2.289 262 N HA -0.126 4.652 4.740 0.063 0.000 0.184 262 N C 1.644 177.123 175.510 -0.052 0.000 1.016 262 N CA 1.027 54.051 53.050 -0.044 0.000 0.872 262 N CB -0.497 37.969 38.487 -0.035 0.000 0.973 262 N HN 0.426 nan 8.380 nan 0.000 0.433 263 E N -0.131 120.034 120.200 -0.059 0.000 2.442 263 E HA 0.060 4.447 4.350 0.063 0.000 0.195 263 E C -0.221 176.324 176.600 -0.092 0.000 1.030 263 E CA 0.058 56.419 56.400 -0.066 0.000 0.869 263 E CB 0.571 30.261 29.700 -0.016 0.000 0.857 263 E HN -0.007 nan 8.360 nan 0.000 0.505 264 V N 3.636 123.499 119.914 -0.084 0.000 2.339 264 V HA 0.120 4.277 4.120 0.063 0.000 0.261 264 V C 0.055 176.131 176.094 -0.029 0.000 1.058 264 V CA -0.328 61.929 62.300 -0.071 0.000 0.897 264 V CB 0.366 32.136 31.823 -0.087 0.000 1.052 264 V HN 0.104 nan 8.190 nan 0.000 0.480 265 R N 4.004 124.494 120.500 -0.017 0.000 2.254 265 R HA 0.579 4.957 4.340 0.063 0.000 0.318 265 R C -0.838 175.474 176.300 0.021 0.000 1.031 265 R CA -0.516 55.595 56.100 0.018 0.000 0.905 265 R CB 1.575 31.932 30.300 0.095 0.000 1.050 265 R HN 0.417 nan 8.270 nan 0.000 0.456 266 V N 4.262 124.185 119.914 0.014 0.000 2.419 266 V HA 0.307 4.465 4.120 0.063 0.000 0.287 266 V C -0.432 175.655 176.094 -0.011 0.000 1.017 266 V CA -0.714 61.596 62.300 0.017 0.000 0.844 266 V CB 1.747 33.603 31.823 0.055 0.000 1.011 266 V HN 0.649 nan 8.190 nan 0.000 0.429 267 D N 4.608 124.990 120.400 -0.031 0.000 2.493 267 D HA 0.501 5.178 4.640 0.063 0.000 0.239 267 D C -2.824 173.470 176.300 -0.010 0.000 1.049 267 D CA -1.529 52.445 54.000 -0.044 0.000 1.008 267 D CB 2.764 43.509 40.800 -0.092 0.000 1.398 267 D HN 0.184 nan 8.370 nan 0.000 0.513 268 P HA 0.054 nan 4.420 nan 0.000 0.266 268 P C -0.956 176.470 177.300 0.209 0.000 1.195 268 P CA 0.271 63.392 63.100 0.035 0.000 0.768 268 P CB 0.226 31.909 31.700 -0.028 0.000 0.838 269 Y N 2.203 122.603 120.300 0.167 0.000 2.401 269 Y HA 0.322 4.912 4.550 0.066 0.000 0.330 269 Y C -0.883 175.192 175.900 0.292 0.000 1.071 269 Y CA -1.224 56.983 58.100 0.179 0.000 1.049 269 Y CB 1.297 39.838 38.460 0.136 0.000 1.239 269 Y HN 0.157 nan 8.280 nan 0.000 0.437 270 L N 6.226 127.575 121.223 0.211 0.000 2.423 270 L HA 0.326 4.703 4.340 0.063 0.000 0.249 270 L C -0.894 175.928 176.870 -0.080 0.000 1.276 270 L CA 0.202 55.041 54.840 -0.002 0.000 1.199 270 L CB -0.665 41.385 42.059 -0.015 0.000 1.407 270 L HN 0.563 nan 8.230 nan 0.000 0.410 271 c N -0.458 118.089 118.600 -0.088 0.000 2.994 271 c HA 0.650 5.257 4.570 0.063 0.000 0.305 271 c C 0.254 174.545 174.090 0.335 0.000 1.251 271 c CA -0.704 55.582 56.329 -0.072 0.000 1.478 271 c CB 2.224 44.232 42.510 -0.836 0.000 1.922 271 c HN 0.444 nan 8.230 nan 0.000 0.472 272 T N 1.367 116.207 114.554 0.478 0.000 2.841 272 T HA 0.411 4.799 4.350 0.063 0.000 0.285 272 T C -1.248 173.798 174.700 0.576 0.000 0.991 272 T CA -0.173 62.229 62.100 0.503 0.000 0.966 272 T CB 0.758 69.846 68.868 0.366 0.000 0.962 272 T HN 0.540 nan 8.240 nan 0.000 0.438 273 Y N 4.923 125.253 120.300 0.050 0.000 2.313 273 Y HA 0.547 5.134 4.550 0.061 0.000 0.332 273 Y C -0.702 175.096 175.900 -0.171 0.000 1.071 273 Y CA -0.668 57.248 58.100 -0.307 0.000 1.169 273 Y CB 0.382 37.976 38.460 -1.444 0.000 1.192 273 Y HN 0.703 nan 8.280 nan 0.000 0.487 274 Y N 2.504 122.660 120.300 -0.239 0.000 2.670 274 Y HA 0.551 5.138 4.550 0.062 0.000 0.334 274 Y C -2.433 173.239 175.900 -0.381 0.000 1.185 274 Y CA -2.328 55.672 58.100 -0.167 0.000 1.053 274 Y CB 0.545 38.994 38.460 -0.019 0.000 1.298 274 Y HN 0.405 nan 8.280 nan 0.000 0.459 275 Y N 1.495 121.906 120.300 0.185 0.000 2.353 275 Y HA 0.314 4.903 4.550 0.064 0.000 0.340 275 Y C 0.322 176.309 175.900 0.145 0.000 0.972 275 Y CA -0.692 57.475 58.100 0.111 0.000 1.157 275 Y CB 1.290 39.906 38.460 0.260 0.000 1.157 275 Y HN 0.695 nan 8.280 nan 0.000 0.495 276 E N 4.432 124.678 120.200 0.077 0.000 2.290 276 E HA 0.317 4.704 4.350 0.063 0.000 0.277 276 E C -0.997 175.714 176.600 0.186 0.000 1.035 276 E CA -0.255 56.235 56.400 0.150 0.000 0.873 276 E CB 0.587 30.281 29.700 -0.010 0.000 1.029 276 E HN 0.616 nan 8.360 nan 0.000 0.419 277 I N 4.132 124.750 120.570 0.080 0.000 2.392 277 I HA 0.104 4.311 4.170 0.063 0.000 0.295 277 I C 0.251 176.276 176.117 -0.153 0.000 0.985 277 I CA -0.874 60.358 61.300 -0.113 0.000 1.221 277 I CB 1.308 39.225 38.000 -0.139 0.000 1.366 277 I HN 0.514 nan 8.210 nan 0.000 0.467 278 N N 4.817 123.229 118.700 -0.479 0.000 2.402 278 N HA 0.045 4.823 4.740 0.063 0.000 0.259 278 N C 0.386 175.760 175.510 -0.227 0.000 1.167 278 N CA 0.243 52.967 53.050 -0.544 0.000 0.949 278 N CB 0.182 37.973 38.487 -1.161 0.000 1.212 278 N HN 0.438 nan 8.380 nan 0.000 0.493 279 N N 1.704 120.366 118.700 -0.064 0.000 2.512 279 N HA -0.140 4.638 4.740 0.063 0.000 0.183 279 N C 0.961 176.467 175.510 -0.006 0.000 1.073 279 N CA 0.744 53.799 53.050 0.008 0.000 0.911 279 N CB 0.117 38.656 38.487 0.086 0.000 0.964 279 N HN 0.742 nan 8.380 nan 0.000 0.447 280 Q N -0.707 119.062 119.800 -0.052 0.000 2.247 280 Q HA 0.147 4.524 4.340 0.063 0.000 0.204 280 Q C -0.075 175.874 176.000 -0.084 0.000 0.872 280 Q CA 0.064 55.829 55.803 -0.064 0.000 0.951 280 Q CB 0.384 29.078 28.738 -0.073 0.000 1.099 280 Q HN -0.001 nan 8.270 nan 0.000 0.501 281 K N 1.458 121.810 120.400 -0.079 0.000 2.339 281 K HA 0.538 4.896 4.320 0.063 0.000 0.264 281 K C -0.892 175.727 176.600 0.030 0.000 0.986 281 K CA -0.445 55.817 56.287 -0.042 0.000 0.866 281 K CB 1.449 33.898 32.500 -0.085 0.000 1.103 281 K HN 0.244 nan 8.250 nan 0.000 0.441 282 A N 4.819 127.623 122.820 -0.026 0.000 2.498 282 A HA 0.174 4.532 4.320 0.063 0.000 0.239 282 A C -1.614 175.890 177.584 -0.133 0.000 1.068 282 A CA -0.808 51.181 52.037 -0.079 0.000 0.766 282 A CB -0.064 18.898 19.000 -0.065 0.000 1.003 282 A HN 0.684 nan 8.150 nan 0.000 0.497 283 P HA 0.124 nan 4.420 nan 0.000 0.257 283 P C 0.175 177.187 177.300 -0.480 0.000 1.325 283 P CA 0.305 63.188 63.100 -0.362 0.000 0.850 283 P CB -0.020 31.505 31.700 -0.292 0.000 1.324 284 F N 1.714 121.580 119.950 -0.141 0.000 2.802 284 F HA -0.014 4.552 4.527 0.063 0.000 0.300 284 F C 1.854 177.577 175.800 -0.127 0.000 1.168 284 F CA 0.477 58.366 58.000 -0.184 0.000 1.433 284 F CB -0.972 37.872 39.000 -0.260 0.000 1.115 284 F HN 0.051 nan 8.300 nan 0.000 0.582 285 N N -0.747 117.953 118.700 0.001 0.000 2.461 285 N HA -0.095 4.683 4.740 0.063 0.000 0.188 285 N C -0.186 175.312 175.510 -0.021 0.000 1.134 285 N CA 0.335 53.381 53.050 -0.007 0.000 0.878 285 N CB -0.434 38.040 38.487 -0.022 0.000 0.972 285 N HN 0.108 nan 8.380 nan 0.000 0.456 286 D N 0.553 120.928 120.400 -0.041 0.000 2.317 286 D HA 0.045 4.722 4.640 0.063 0.000 0.234 286 D C 0.940 177.225 176.300 -0.026 0.000 1.112 286 D CA -0.498 53.481 54.000 -0.034 0.000 0.840 286 D CB 1.973 42.748 40.800 -0.042 0.000 1.078 286 D HN -0.162 nan 8.370 nan 0.000 0.486 287 V N 5.803 125.710 119.914 -0.011 0.000 2.469 287 V HA -0.249 3.909 4.120 0.063 0.000 0.251 287 V C 2.166 178.246 176.094 -0.023 0.000 1.064 287 V CA 1.863 64.157 62.300 -0.009 0.000 1.066 287 V CB -0.210 31.616 31.823 0.006 0.000 0.667 287 V HN 0.543 nan 8.190 nan 0.000 0.461 288 R N -0.859 119.630 120.500 -0.018 0.000 2.081 288 R HA -0.115 4.263 4.340 0.063 0.000 0.235 288 R C 2.156 178.432 176.300 -0.040 0.000 1.131 288 R CA 1.648 57.739 56.100 -0.016 0.000 0.960 288 R CB -0.544 29.758 30.300 0.004 0.000 0.856 288 R HN 0.492 nan 8.270 nan 0.000 0.436 289 V N 1.091 120.970 119.914 -0.058 0.000 2.307 289 V HA -0.220 3.937 4.120 0.063 0.000 0.245 289 V C 2.307 178.321 176.094 -0.133 0.000 1.045 289 V CA 1.691 63.916 62.300 -0.125 0.000 1.024 289 V CB -0.457 31.248 31.823 -0.196 0.000 0.651 289 V HN 0.306 nan 8.190 nan 0.000 0.449 290 R N -0.161 120.289 120.500 -0.083 0.000 2.081 290 R HA -0.129 4.249 4.340 0.063 0.000 0.235 290 R C 2.373 178.612 176.300 -0.102 0.000 1.131 290 R CA 1.896 57.952 56.100 -0.073 0.000 0.960 290 R CB -0.908 29.367 30.300 -0.041 0.000 0.856 290 R HN 0.475 nan 8.270 nan 0.000 0.436 291 T N 1.253 115.747 114.554 -0.100 0.000 2.746 291 T HA -0.145 4.242 4.350 0.063 0.000 0.267 291 T C 2.008 176.631 174.700 -0.128 0.000 1.039 291 T CA 1.453 63.473 62.100 -0.134 0.000 1.142 291 T CB -0.250 68.559 68.868 -0.098 0.000 0.866 291 T HN 0.393 nan 8.240 nan 0.000 0.444 292 A N 1.297 124.058 122.820 -0.099 0.000 1.877 292 A HA -0.009 4.349 4.320 0.063 0.000 0.216 292 A C 2.316 179.835 177.584 -0.109 0.000 1.186 292 A CA 1.253 53.238 52.037 -0.086 0.000 0.620 292 A CB -0.886 18.055 19.000 -0.098 0.000 0.822 292 A HN 0.476 nan 8.150 nan 0.000 0.443 293 L N -0.715 120.389 121.223 -0.198 0.000 2.083 293 L HA -0.196 4.182 4.340 0.063 0.000 0.209 293 L C 2.663 179.623 176.870 0.150 0.000 1.083 293 L CA 1.897 56.577 54.840 -0.265 0.000 0.752 293 L CB -0.394 41.394 42.059 -0.451 0.000 0.899 293 L HN 0.510 nan 8.230 nan 0.000 0.433 294 K N 0.686 121.098 120.400 0.021 0.000 2.025 294 K HA -0.157 4.201 4.320 0.063 0.000 0.207 294 K C 2.118 178.682 176.600 -0.059 0.000 1.049 294 K CA 1.225 57.505 56.287 -0.013 0.000 0.933 294 K CB -0.005 32.355 32.500 -0.234 0.000 0.714 294 K HN 0.244 nan 8.250 nan 0.000 0.438 295 L N 0.298 121.447 121.223 -0.124 0.000 2.109 295 L HA -0.050 4.328 4.340 0.063 0.000 0.207 295 L C 2.497 179.462 176.870 0.159 0.000 1.086 295 L CA 0.971 55.789 54.840 -0.035 0.000 0.760 295 L CB -0.389 41.657 42.059 -0.021 0.000 0.910 295 L HN 0.258 nan 8.230 nan 0.000 0.437 296 A N -0.228 122.720 122.820 0.215 0.000 2.167 296 A HA 0.004 4.361 4.320 0.063 0.000 0.214 296 A C 1.179 178.978 177.584 0.358 0.000 1.151 296 A CA 0.060 52.272 52.037 0.292 0.000 0.735 296 A CB -0.337 18.843 19.000 0.300 0.000 0.802 296 A HN 0.295 nan 8.150 nan 0.000 0.467 297 L N 0.848 122.312 121.223 0.400 0.000 2.410 297 L HA 0.140 4.517 4.340 0.063 0.000 0.273 297 L C -0.529 176.432 176.870 0.151 0.000 1.144 297 L CA -0.362 54.579 54.840 0.169 0.000 0.863 297 L CB 0.534 42.690 42.059 0.161 0.000 1.140 297 L HN 0.117 nan 8.230 nan 0.000 0.463 298 D N 4.720 125.165 120.400 0.075 0.000 2.441 298 D HA 0.130 4.807 4.640 0.063 0.000 0.221 298 D C 1.061 177.406 176.300 0.075 0.000 1.156 298 D CA -0.153 53.900 54.000 0.087 0.000 0.896 298 D CB 0.822 41.655 40.800 0.056 0.000 1.028 298 D HN 0.543 nan 8.370 nan 0.000 0.509 299 R N 2.051 122.628 120.500 0.129 0.000 2.120 299 R HA -0.123 4.255 4.340 0.063 0.000 0.234 299 R C 1.395 177.737 176.300 0.071 0.000 1.123 299 R CA 0.992 57.170 56.100 0.131 0.000 0.975 299 R CB 0.081 30.523 30.300 0.236 0.000 0.866 299 R HN 0.353 nan 8.270 nan 0.000 0.446 300 D N 0.778 121.206 120.400 0.045 0.000 2.117 300 D HA -0.118 4.560 4.640 0.063 0.000 0.197 300 D C 1.679 177.980 176.300 0.000 0.000 0.987 300 D CA 1.143 55.151 54.000 0.013 0.000 0.829 300 D CB 0.050 40.849 40.800 -0.002 0.000 0.961 300 D HN 0.157 nan 8.370 nan 0.000 0.460 301 I N -0.253 120.318 120.570 0.002 0.000 2.202 301 I HA -0.224 3.984 4.170 0.063 0.000 0.242 301 I C 2.287 178.385 176.117 -0.033 0.000 1.091 301 I CA 0.539 61.830 61.300 -0.015 0.000 1.368 301 I CB -0.114 37.878 38.000 -0.014 0.000 1.058 301 I HN 0.007 nan 8.210 nan 0.000 0.410 302 I N -0.095 120.458 120.570 -0.029 0.000 2.142 302 I HA -0.260 3.948 4.170 0.063 0.000 0.240 302 I C 2.419 178.483 176.117 -0.088 0.000 1.078 302 I CA 1.420 62.690 61.300 -0.050 0.000 1.343 302 I CB -0.380 37.606 38.000 -0.022 0.000 1.046 302 I HN -0.044 nan 8.210 nan 0.000 0.405 303 V N 0.838 120.710 119.914 -0.070 0.000 2.307 303 V HA -0.208 3.950 4.120 0.063 0.000 0.245 303 V C 1.881 177.899 176.094 -0.127 0.000 1.045 303 V CA 1.918 64.133 62.300 -0.143 0.000 1.024 303 V CB -0.673 31.110 31.823 -0.067 0.000 0.651 303 V HN 0.454 nan 8.190 nan 0.000 0.449 304 N N -0.691 117.969 118.700 -0.067 0.000 2.388 304 N HA 0.022 4.800 4.740 0.063 0.000 0.176 304 N C 1.621 177.104 175.510 -0.045 0.000 1.062 304 N CA 0.508 53.527 53.050 -0.051 0.000 0.895 304 N CB 0.198 38.670 38.487 -0.026 0.000 1.018 304 N HN 0.428 nan 8.380 nan 0.000 0.456 305 K N 0.552 120.924 120.400 -0.046 0.000 2.216 305 K HA 0.130 4.487 4.320 0.063 0.000 0.207 305 K C 2.086 178.658 176.600 -0.047 0.000 1.041 305 K CA 0.627 56.891 56.287 -0.038 0.000 0.966 305 K CB -0.817 31.666 32.500 -0.029 0.000 0.955 305 K HN 0.081 nan 8.250 nan 0.000 0.468 306 V N 0.469 120.346 119.914 -0.061 0.000 2.488 306 V HA -0.053 4.104 4.120 0.063 0.000 0.246 306 V C 2.297 178.337 176.094 -0.090 0.000 1.046 306 V CA 1.887 64.146 62.300 -0.068 0.000 1.053 306 V CB -0.186 31.595 31.823 -0.071 0.000 0.679 306 V HN 0.176 nan 8.190 nan 0.000 0.458 307 K N 0.963 121.285 120.400 -0.130 0.000 2.225 307 K HA 0.156 4.514 4.320 0.063 0.000 0.204 307 K C 1.214 177.724 176.600 -0.150 0.000 1.047 307 K CA 0.962 57.139 56.287 -0.184 0.000 0.970 307 K CB -0.326 31.988 32.500 -0.310 0.000 0.939 307 K HN 0.530 nan 8.250 nan 0.000 0.472 308 N N 1.174 119.789 118.700 -0.142 0.000 2.686 308 N HA -0.214 4.564 4.740 0.063 0.000 0.261 308 N C -0.789 174.706 175.510 -0.025 0.000 1.001 308 N CA 0.520 53.525 53.050 -0.075 0.000 0.764 308 N CB -0.486 37.987 38.487 -0.022 0.000 0.898 308 N HN 0.541 nan 8.380 nan 0.000 0.544 309 Q N -0.549 119.167 119.800 -0.140 0.000 2.155 309 Q HA 0.220 4.597 4.340 0.063 0.000 0.220 309 Q C 1.255 177.206 176.000 -0.082 0.000 0.819 309 Q CA 0.428 56.142 55.803 -0.148 0.000 1.032 309 Q CB 0.821 29.207 28.738 -0.586 0.000 1.151 309 Q HN 0.620 nan 8.270 nan 0.000 0.487 310 G N 1.097 109.858 108.800 -0.065 0.000 2.159 310 G HA2 -0.175 3.822 3.960 0.063 0.000 0.227 310 G HA3 -0.175 3.822 3.960 0.063 0.000 0.227 310 G C -0.248 174.615 174.900 -0.062 0.000 0.986 310 G CA -0.251 44.828 45.100 -0.036 0.000 0.651 310 G HN 0.311 nan 8.290 nan 0.000 0.523 311 D N 0.245 120.543 120.400 -0.171 0.000 2.362 311 D HA 0.444 5.122 4.640 0.063 0.000 0.242 311 D C 0.366 176.647 176.300 -0.031 0.000 1.132 311 D CA 0.167 54.066 54.000 -0.169 0.000 0.907 311 D CB 1.399 41.787 40.800 -0.687 0.000 1.195 311 D HN 0.081 nan 8.370 nan 0.000 0.429 312 L N 2.826 124.130 121.223 0.136 0.000 2.309 312 L HA 0.307 4.684 4.340 0.063 0.000 0.282 312 L C -2.193 174.798 176.870 0.202 0.000 1.036 312 L CA -1.927 53.041 54.840 0.213 0.000 0.806 312 L CB 1.046 43.317 42.059 0.354 0.000 1.220 312 L HN 0.092 nan 8.230 nan 0.000 0.429 313 P HA 0.143 nan 4.420 nan 0.000 0.264 313 P C -1.011 176.367 177.300 0.129 0.000 1.193 313 P CA -0.177 63.083 63.100 0.266 0.000 0.763 313 P CB 0.585 32.534 31.700 0.414 0.000 0.810 314 A N 3.455 126.154 122.820 -0.202 0.000 2.325 314 A HA 0.575 4.933 4.320 0.063 0.000 0.333 314 A C -0.293 177.061 177.584 -0.383 0.000 1.155 314 A CA -0.451 51.135 52.037 -0.752 0.000 0.814 314 A CB 0.372 18.731 19.000 -1.068 0.000 1.206 314 A HN 0.681 nan 8.150 nan 0.000 0.482 315 Y N 0.063 120.117 120.300 -0.411 0.000 2.610 315 Y HA 0.454 5.042 4.550 0.063 0.000 0.254 315 Y C 0.307 176.175 175.900 -0.053 0.000 1.110 315 Y CA -0.119 57.747 58.100 -0.390 0.000 1.238 315 Y CB -0.447 37.302 38.460 -1.185 0.000 1.322 315 Y HN 0.655 nan 8.280 nan 0.000 0.547 316 S N -1.680 113.860 115.700 -0.267 0.000 2.720 316 S HA 0.368 4.875 4.470 0.063 0.000 0.287 316 S C -0.288 174.303 174.600 -0.014 0.000 1.168 316 S CA -0.472 57.684 58.200 -0.075 0.000 0.832 316 S CB 1.470 64.566 63.200 -0.174 0.000 1.166 316 S HN 0.122 nan 8.310 nan 0.000 0.493 317 Y N 1.768 121.962 120.300 -0.177 0.000 2.239 317 Y HA 0.309 4.898 4.550 0.066 0.000 0.293 317 Y C 1.118 176.819 175.900 -0.331 0.000 1.126 317 Y CA 1.088 59.057 58.100 -0.218 0.000 1.128 317 Y CB -0.859 37.464 38.460 -0.229 0.000 1.066 317 Y HN 0.703 nan 8.280 nan 0.000 0.516 318 T N 5.297 119.549 114.554 -0.504 0.000 2.867 318 T HA 0.127 4.515 4.350 0.063 0.000 0.297 318 T C -2.585 171.564 174.700 -0.918 0.000 0.989 318 T CA -0.786 60.685 62.100 -1.048 0.000 1.159 318 T CB 0.675 69.189 68.868 -0.591 0.000 0.928 318 T HN 0.097 nan 8.240 nan 0.000 0.538 319 P HA 0.124 nan 4.420 nan 0.000 0.268 319 P C -1.706 174.961 177.300 -1.055 0.000 1.204 319 P CA -1.465 60.898 63.100 -1.228 0.000 0.768 319 P CB 0.260 31.137 31.700 -1.372 0.000 0.842 320 P HA -0.123 nan 4.420 nan 0.000 0.230 320 P C 0.401 177.534 177.300 -0.279 0.000 1.158 320 P CA 1.366 64.191 63.100 -0.457 0.000 0.769 320 P CB -0.308 31.230 31.700 -0.269 0.000 0.807 321 Y N -2.328 117.787 120.300 -0.308 0.000 2.524 321 Y HA 0.407 4.993 4.550 0.060 0.000 0.266 321 Y C 0.469 176.275 175.900 -0.157 0.000 1.180 321 Y CA -1.005 56.987 58.100 -0.180 0.000 1.244 321 Y CB -1.567 36.807 38.460 -0.142 0.000 1.125 321 Y HN -0.336 nan 8.280 nan 0.000 0.524 322 T N 2.389 116.683 114.554 -0.432 0.000 2.940 322 T HA -0.088 4.300 4.350 0.063 0.000 0.309 322 T C -0.155 174.453 174.700 -0.153 0.000 1.056 322 T CA -0.064 61.846 62.100 -0.317 0.000 1.137 322 T CB 0.293 68.903 68.868 -0.430 0.000 0.976 322 T HN 0.309 nan 8.240 nan 0.000 0.547 323 D N 1.237 121.586 120.400 -0.085 0.000 2.412 323 D HA 0.229 4.907 4.640 0.063 0.000 0.257 323 D C 1.271 177.548 176.300 -0.038 0.000 1.217 323 D CA 1.290 55.274 54.000 -0.026 0.000 0.897 323 D CB -0.247 40.562 40.800 0.014 0.000 1.132 323 D HN 0.832 nan 8.370 nan 0.000 0.493 324 G N 2.462 111.260 108.800 -0.002 0.000 2.201 324 G HA2 -0.094 3.904 3.960 0.063 0.000 0.212 324 G HA3 -0.094 3.904 3.960 0.063 0.000 0.212 324 G C 0.323 175.255 174.900 0.054 0.000 0.994 324 G CA 0.146 45.274 45.100 0.046 0.000 0.644 324 G HN 0.929 nan 8.290 nan 0.000 0.508 325 A N 0.438 123.238 122.820 -0.033 0.000 2.320 325 A HA 0.725 5.083 4.320 0.063 0.000 0.287 325 A C 0.437 178.012 177.584 -0.016 0.000 1.181 325 A CA 0.132 52.138 52.037 -0.051 0.000 0.831 325 A CB 0.461 19.355 19.000 -0.177 0.000 1.102 325 A HN 0.290 nan 8.150 nan 0.000 0.513 326 K N 3.647 124.055 120.400 0.014 0.000 3.029 326 K HA 0.295 4.653 4.320 0.063 0.000 0.169 326 K C -1.145 175.470 176.600 0.024 0.000 1.090 326 K CA -0.051 56.246 56.287 0.017 0.000 0.883 326 K CB 0.691 33.204 32.500 0.021 0.000 1.080 326 K HN 0.692 nan 8.250 nan 0.000 0.613 327 L N 1.166 122.405 121.223 0.027 0.000 2.395 327 L HA 0.363 4.741 4.340 0.063 0.000 0.269 327 L C 0.365 177.263 176.870 0.047 0.000 1.133 327 L CA -1.059 53.815 54.840 0.057 0.000 0.812 327 L CB 1.152 43.267 42.059 0.092 0.000 1.125 327 L HN -0.046 nan 8.230 nan 0.000 0.452 328 V N 1.865 121.797 119.914 0.029 0.000 2.385 328 V HA 0.086 4.243 4.120 0.063 0.000 0.269 328 V C 0.426 176.439 176.094 -0.135 0.000 1.043 328 V CA -0.484 61.794 62.300 -0.037 0.000 0.906 328 V CB 1.073 32.884 31.823 -0.019 0.000 0.995 328 V HN 0.727 nan 8.190 nan 0.000 0.467 329 E N 7.977 127.986 120.200 -0.318 0.000 2.299 329 E HA 0.176 4.564 4.350 0.063 0.000 0.272 329 E C -2.160 174.163 176.600 -0.461 0.000 1.043 329 E CA -1.476 54.496 56.400 -0.713 0.000 0.895 329 E CB 0.943 30.187 29.700 -0.761 0.000 1.011 329 E HN 0.463 nan 8.360 nan 0.000 0.432 330 P HA 0.011 nan 4.420 nan 0.000 0.272 330 P C 0.202 177.199 177.300 -0.505 0.000 1.223 330 P CA -0.147 62.702 63.100 -0.418 0.000 0.784 330 P CB 0.861 32.297 31.700 -0.439 0.000 0.923 331 E N 1.512 121.524 120.200 -0.314 0.000 2.118 331 E HA -0.143 4.245 4.350 0.063 0.000 0.195 331 E C 1.866 178.006 176.600 -0.767 0.000 0.992 331 E CA 1.341 57.566 56.400 -0.291 0.000 0.804 331 E CB -0.546 29.157 29.700 0.005 0.000 0.741 331 E HN 0.696 nan 8.360 nan 0.000 0.458 332 W N -0.280 120.444 121.300 -0.960 0.000 2.350 332 W HA -0.154 4.543 4.660 0.063 0.000 0.289 332 W C 1.713 177.870 176.519 -0.603 0.000 1.215 332 W CA 0.304 56.772 57.345 -1.461 0.000 1.236 332 W CB -1.244 27.652 29.460 -0.940 0.000 1.130 332 W HN -0.040 nan 8.180 nan 0.000 0.541 333 F N 2.918 122.164 119.950 -1.174 0.000 2.325 333 F HA -0.029 4.536 4.527 0.063 0.000 0.299 333 F C 2.220 177.820 175.800 -0.333 0.000 1.090 333 F CA 1.713 59.229 58.000 -0.807 0.000 1.392 333 F CB -0.193 38.176 39.000 -1.051 0.000 1.053 333 F HN -0.224 nan 8.300 nan 0.000 0.521 334 K N -0.923 119.314 120.400 -0.273 0.000 2.305 334 K HA -0.079 4.279 4.320 0.063 0.000 0.199 334 K C 0.339 176.990 176.600 0.085 0.000 1.047 334 K CA 0.085 56.301 56.287 -0.118 0.000 0.976 334 K CB -0.257 32.223 32.500 -0.034 0.000 0.765 334 K HN 0.058 nan 8.250 nan 0.000 0.474 335 W N 2.618 123.909 121.300 -0.014 0.000 2.005 335 W HA -0.010 4.688 4.660 0.064 0.000 0.358 335 W C 1.253 177.771 176.519 -0.001 0.000 1.343 335 W CA -1.134 56.226 57.345 0.024 0.000 1.355 335 W CB -0.487 29.031 29.460 0.097 0.000 1.263 335 W HN -0.032 nan 8.180 nan 0.000 0.643 336 S N 0.139 115.996 115.700 0.261 0.000 2.617 336 S HA 0.070 4.577 4.470 0.063 0.000 0.269 336 S C 0.774 175.485 174.600 0.185 0.000 1.292 336 S CA -0.385 57.901 58.200 0.143 0.000 1.010 336 S CB 1.462 64.711 63.200 0.082 0.000 0.944 336 S HN 0.400 nan 8.310 nan 0.000 0.536 337 Q N 0.892 120.770 119.800 0.130 0.000 2.167 337 Q HA -0.162 4.216 4.340 0.063 0.000 0.202 337 Q C 2.312 178.397 176.000 0.143 0.000 0.970 337 Q CA 2.262 58.154 55.803 0.147 0.000 0.855 337 Q CB -0.659 28.141 28.738 0.103 0.000 0.911 337 Q HN 0.983 nan 8.270 nan 0.000 0.438 338 Q N 0.034 119.895 119.800 0.101 0.000 2.084 338 Q HA -0.216 4.162 4.340 0.063 0.000 0.202 338 Q C 1.947 177.996 176.000 0.081 0.000 0.978 338 Q CA 2.149 57.997 55.803 0.076 0.000 0.844 338 Q CB -0.352 28.412 28.738 0.044 0.000 0.898 338 Q HN 0.325 nan 8.270 nan 0.000 0.426 339 K N 0.048 120.499 120.400 0.084 0.000 2.097 339 K HA -0.118 4.240 4.320 0.063 0.000 0.205 339 K C 2.241 178.953 176.600 0.187 0.000 1.050 339 K CA 1.110 57.416 56.287 0.032 0.000 0.938 339 K CB 0.009 32.439 32.500 -0.117 0.000 0.718 339 K HN 0.217 nan 8.250 nan 0.000 0.442 340 R N 0.352 121.076 120.500 0.374 0.000 2.081 340 R HA -0.071 4.306 4.340 0.063 0.000 0.235 340 R C 2.042 178.494 176.300 0.253 0.000 1.131 340 R CA 1.529 57.891 56.100 0.437 0.000 0.960 340 R CB -0.331 30.213 30.300 0.407 0.000 0.856 340 R HN 0.286 nan 8.270 nan 0.000 0.436 341 N N 0.715 119.525 118.700 0.183 0.000 2.120 341 N HA -0.153 4.625 4.740 0.063 0.000 0.188 341 N C 1.601 177.173 175.510 0.104 0.000 1.024 341 N CA 1.112 54.242 53.050 0.134 0.000 0.852 341 N CB -0.203 38.351 38.487 0.110 0.000 1.003 341 N HN 0.226 nan 8.380 nan 0.000 0.424 342 E N 0.809 121.060 120.200 0.085 0.000 2.077 342 E HA -0.184 4.204 4.350 0.063 0.000 0.193 342 E C 1.785 178.424 176.600 0.064 0.000 0.989 342 E CA 0.784 57.216 56.400 0.054 0.000 0.800 342 E CB -0.135 29.576 29.700 0.018 0.000 0.746 342 E HN 0.363 nan 8.360 nan 0.000 0.452 343 E N 1.083 121.343 120.200 0.100 0.000 2.058 343 E HA -0.141 4.247 4.350 0.063 0.000 0.194 343 E C 1.879 178.541 176.600 0.104 0.000 0.997 343 E CA 1.502 57.979 56.400 0.127 0.000 0.801 343 E CB -0.307 29.555 29.700 0.270 0.000 0.746 343 E HN 0.193 nan 8.360 nan 0.000 0.450 344 A N 0.912 123.795 122.820 0.104 0.000 1.865 344 A HA -0.241 4.117 4.320 0.063 0.000 0.217 344 A C 2.114 179.722 177.584 0.040 0.000 1.191 344 A CA 2.043 54.116 52.037 0.059 0.000 0.623 344 A CB -0.547 18.493 19.000 0.066 0.000 0.826 344 A HN 0.236 nan 8.150 nan 0.000 0.444 345 K N -0.382 120.048 120.400 0.050 0.000 2.063 345 K HA -0.208 4.150 4.320 0.063 0.000 0.208 345 K C 2.244 178.868 176.600 0.041 0.000 1.048 345 K CA 1.737 58.049 56.287 0.041 0.000 0.928 345 K CB -0.191 32.335 32.500 0.043 0.000 0.713 345 K HN 0.566 nan 8.250 nan 0.000 0.442 346 K N 1.386 121.811 120.400 0.042 0.000 2.057 346 K HA -0.148 4.209 4.320 0.063 0.000 0.207 346 K C 2.041 178.664 176.600 0.038 0.000 1.049 346 K CA 1.181 57.490 56.287 0.037 0.000 0.931 346 K CB -0.064 32.458 32.500 0.036 0.000 0.714 346 K HN 0.038 nan 8.250 nan 0.000 0.440 347 L N 0.967 122.213 121.223 0.039 0.000 2.093 347 L HA -0.137 4.241 4.340 0.063 0.000 0.208 347 L C 2.477 179.372 176.870 0.043 0.000 1.085 347 L CA 0.656 55.516 54.840 0.033 0.000 0.755 347 L CB -0.321 41.751 42.059 0.022 0.000 0.904 347 L HN 0.242 nan 8.230 nan 0.000 0.435 348 L N -0.284 120.966 121.223 0.045 0.000 2.046 348 L HA -0.221 4.157 4.340 0.063 0.000 0.208 348 L C 2.812 179.769 176.870 0.145 0.000 1.077 348 L CA 1.527 56.420 54.840 0.089 0.000 0.747 348 L CB -0.540 41.542 42.059 0.037 0.000 0.896 348 L HN 0.304 nan 8.230 nan 0.000 0.432 349 A N -0.256 122.615 122.820 0.085 0.000 1.933 349 A HA -0.224 4.134 4.320 0.063 0.000 0.218 349 A C 1.998 179.601 177.584 0.032 0.000 1.175 349 A CA 1.516 53.590 52.037 0.062 0.000 0.628 349 A CB -0.417 18.607 19.000 0.040 0.000 0.814 349 A HN 0.490 nan 8.150 nan 0.000 0.444 350 E N -0.240 119.978 120.200 0.029 0.000 2.204 350 E HA -0.076 4.312 4.350 0.063 0.000 0.195 350 E C 1.867 178.465 176.600 -0.003 0.000 0.990 350 E CA 0.835 57.241 56.400 0.009 0.000 0.821 350 E CB -0.223 29.485 29.700 0.014 0.000 0.750 350 E HN 0.618 nan 8.360 nan 0.000 0.477 351 A N 0.123 122.961 122.820 0.030 0.000 2.238 351 A HA 0.288 4.646 4.320 0.063 0.000 0.208 351 A C 1.599 179.092 177.584 -0.151 0.000 1.177 351 A CA 0.737 52.781 52.037 0.012 0.000 0.804 351 A CB -0.095 18.987 19.000 0.137 0.000 0.823 351 A HN 0.318 nan 8.150 nan 0.000 0.482 352 G N -2.093 106.602 108.800 -0.176 0.000 2.148 352 G HA2 -0.189 3.809 3.960 0.063 0.000 0.203 352 G HA3 -0.189 3.809 3.960 0.063 0.000 0.203 352 G C -0.180 174.417 174.900 -0.504 0.000 0.993 352 G CA -0.157 44.737 45.100 -0.344 0.000 0.661 352 G HN 0.274 nan 8.290 nan 0.000 0.518 353 F N 1.931 121.854 119.950 -0.045 0.000 2.404 353 F HA 0.685 5.250 4.527 0.063 0.000 0.339 353 F C 1.075 176.860 175.800 -0.025 0.000 1.105 353 F CA 0.376 58.353 58.000 -0.038 0.000 1.087 353 F CB 1.889 40.862 39.000 -0.045 0.000 1.143 353 F HN 0.241 nan 8.300 nan 0.000 0.491 354 T N -1.165 113.473 114.554 0.139 0.000 2.742 354 T HA 0.677 5.065 4.350 0.063 0.000 0.282 354 T C 0.745 175.491 174.700 0.077 0.000 1.025 354 T CA -0.323 61.822 62.100 0.075 0.000 1.020 354 T CB 1.416 70.299 68.868 0.026 0.000 1.317 354 T HN 0.499 nan 8.240 nan 0.000 0.538 355 A N 0.049 122.898 122.820 0.048 0.000 1.968 355 A HA 0.019 4.376 4.320 0.063 0.000 0.217 355 A C 1.950 179.557 177.584 0.037 0.000 1.169 355 A CA 1.850 53.911 52.037 0.041 0.000 0.638 355 A CB -1.112 17.905 19.000 0.028 0.000 0.812 355 A HN 0.907 nan 8.150 nan 0.000 0.446 356 D N -0.373 120.045 120.400 0.030 0.000 2.149 356 D HA -0.061 4.617 4.640 0.063 0.000 0.201 356 D C 0.403 176.722 176.300 0.033 0.000 0.972 356 D CA 0.987 55.001 54.000 0.023 0.000 0.835 356 D CB 0.043 40.849 40.800 0.011 0.000 0.966 356 D HN 0.148 nan 8.370 nan 0.000 0.476 357 K N 1.422 121.851 120.400 0.048 0.000 2.762 357 K HA 0.284 4.642 4.320 0.063 0.000 0.180 357 K C -2.504 174.204 176.600 0.181 0.000 1.067 357 K CA -1.604 54.728 56.287 0.074 0.000 0.973 357 K CB 2.121 34.631 32.500 0.017 0.000 1.290 357 K HN 0.260 nan 8.250 nan 0.000 0.604 358 P HA 0.102 nan 4.420 nan 0.000 0.276 358 P C -0.249 177.148 177.300 0.161 0.000 1.252 358 P CA -0.844 62.353 63.100 0.162 0.000 0.802 358 P CB 0.870 32.605 31.700 0.059 0.000 1.035 359 L N 1.408 122.568 121.223 -0.106 0.000 2.313 359 L HA 0.356 4.734 4.340 0.063 0.000 0.282 359 L C -0.491 176.317 176.870 -0.103 0.000 1.092 359 L CA 0.877 55.485 54.840 -0.388 0.000 0.831 359 L CB -0.329 41.208 42.059 -0.870 0.000 1.159 359 L HN 0.283 nan 8.230 nan 0.000 0.442 360 T N 6.988 121.548 114.554 0.010 0.000 2.841 360 T HA 0.726 5.113 4.350 0.063 0.000 0.285 360 T C -0.899 173.889 174.700 0.148 0.000 0.991 360 T CA -0.126 61.969 62.100 -0.008 0.000 0.966 360 T CB 0.742 69.615 68.868 0.007 0.000 0.962 360 T HN 0.488 nan 8.240 nan 0.000 0.438 361 F N -0.278 119.712 119.950 0.068 0.000 2.779 361 F HA 0.693 5.258 4.527 0.063 0.000 0.316 361 F C -1.387 174.483 175.800 0.117 0.000 1.164 361 F CA -1.371 56.713 58.000 0.139 0.000 0.924 361 F CB 0.786 39.981 39.000 0.325 0.000 1.348 361 F HN 0.211 nan 8.300 nan 0.000 0.467 362 D N 1.817 122.452 120.400 0.391 0.000 2.225 362 D HA 0.404 5.082 4.640 0.063 0.000 0.249 362 D C -1.000 175.523 176.300 0.371 0.000 1.052 362 D CA -0.026 54.132 54.000 0.263 0.000 0.909 362 D CB 2.392 43.327 40.800 0.224 0.000 1.186 362 D HN 0.729 nan 8.370 nan 0.000 0.431 363 L N 2.902 124.290 121.223 0.275 0.000 2.377 363 L HA 0.301 4.679 4.340 0.063 0.000 0.270 363 L C -1.423 175.645 176.870 0.328 0.000 0.991 363 L CA -0.893 54.148 54.840 0.336 0.000 0.851 363 L CB 1.082 43.315 42.059 0.290 0.000 1.218 363 L HN 0.160 nan 8.230 nan 0.000 0.420 364 L N 6.216 127.628 121.223 0.314 0.000 2.292 364 L HA 0.531 4.909 4.340 0.063 0.000 0.284 364 L C -0.957 176.124 176.870 0.352 0.000 1.065 364 L CA 0.104 55.095 54.840 0.252 0.000 0.806 364 L CB 1.029 43.196 42.059 0.179 0.000 1.175 364 L HN 0.534 nan 8.230 nan 0.000 0.431 365 Y N 2.700 123.073 120.300 0.122 0.000 2.588 365 Y HA 0.581 5.168 4.550 0.062 0.000 0.343 365 Y C -0.813 174.860 175.900 -0.378 0.000 1.065 365 Y CA -1.520 56.530 58.100 -0.083 0.000 1.038 365 Y CB 0.805 39.275 38.460 0.016 0.000 1.297 365 Y HN 0.721 nan 8.280 nan 0.000 0.467 366 N N 0.804 119.005 118.700 -0.830 0.000 2.488 366 N HA 0.095 4.873 4.740 0.063 0.000 0.274 366 N C -0.641 174.840 175.510 -0.049 0.000 1.111 366 N CA -0.269 52.401 53.050 -0.633 0.000 0.974 366 N CB 1.190 39.217 38.487 -0.767 0.000 1.089 366 N HN 0.811 nan 8.380 nan 0.000 0.465 367 T N 1.339 115.852 114.554 -0.067 0.000 2.723 367 T HA 0.049 4.437 4.350 0.063 0.000 0.260 367 T C 0.335 175.127 174.700 0.153 0.000 1.019 367 T CA 0.656 62.800 62.100 0.074 0.000 1.155 367 T CB -0.410 68.468 68.868 0.018 0.000 1.024 367 T HN 0.763 nan 8.240 nan 0.000 0.491 368 S N 1.835 117.660 115.700 0.209 0.000 2.675 368 S HA 0.139 4.647 4.470 0.063 0.000 0.297 368 S C 0.195 174.818 174.600 0.039 0.000 1.035 368 S CA -0.829 57.422 58.200 0.084 0.000 0.852 368 S CB 0.990 64.220 63.200 0.050 0.000 1.051 368 S HN 0.561 nan 8.310 nan 0.000 0.451 369 D N 2.029 122.414 120.400 -0.025 0.000 2.097 369 D HA -0.078 4.600 4.640 0.063 0.000 0.197 369 D C 1.969 178.217 176.300 -0.087 0.000 0.984 369 D CA 1.404 55.383 54.000 -0.036 0.000 0.826 369 D CB -0.146 40.631 40.800 -0.038 0.000 0.973 369 D HN 0.412 nan 8.370 nan 0.000 0.460 370 L N 1.568 122.698 121.223 -0.155 0.000 1.971 370 L HA -0.213 4.165 4.340 0.063 0.000 0.215 370 L C 2.254 179.035 176.870 -0.150 0.000 1.072 370 L CA 1.939 56.661 54.840 -0.196 0.000 0.758 370 L CB -0.918 40.968 42.059 -0.289 0.000 0.889 370 L HN 0.087 nan 8.230 nan 0.000 0.433 371 H N -0.154 118.925 119.070 0.014 0.000 2.387 371 H HA -0.145 4.448 4.556 0.062 0.000 0.299 371 H C 2.223 177.319 175.328 -0.386 0.000 1.090 371 H CA 1.627 57.652 56.048 -0.038 0.000 1.332 371 H CB -0.296 29.504 29.762 0.064 0.000 1.386 371 H HN 0.449 nan 8.280 nan 0.000 0.516 372 K N 1.522 121.711 120.400 -0.352 0.000 2.026 372 K HA -0.137 4.221 4.320 0.063 0.000 0.208 372 K C 2.012 178.454 176.600 -0.264 0.000 1.048 372 K CA 1.231 57.191 56.287 -0.545 0.000 0.929 372 K CB 0.097 32.511 32.500 -0.145 0.000 0.713 372 K HN 0.149 nan 8.250 nan 0.000 0.439 373 K N 0.638 120.954 120.400 -0.141 0.000 2.057 373 K HA -0.110 4.248 4.320 0.063 0.000 0.207 373 K C 2.218 178.762 176.600 -0.092 0.000 1.049 373 K CA 1.413 57.642 56.287 -0.096 0.000 0.931 373 K CB -0.147 32.308 32.500 -0.075 0.000 0.714 373 K HN 0.181 nan 8.250 nan 0.000 0.440 374 L N 0.313 121.493 121.223 -0.072 0.000 2.083 374 L HA -0.185 4.192 4.340 0.063 0.000 0.209 374 L C 2.554 179.409 176.870 -0.025 0.000 1.083 374 L CA 1.116 55.939 54.840 -0.029 0.000 0.752 374 L CB -0.557 41.524 42.059 0.036 0.000 0.899 374 L HN 0.223 nan 8.230 nan 0.000 0.433 375 A N 0.103 122.880 122.820 -0.072 0.000 1.929 375 A HA -0.117 4.241 4.320 0.063 0.000 0.216 375 A C 2.190 179.697 177.584 -0.129 0.000 1.176 375 A CA 1.134 53.110 52.037 -0.102 0.000 0.628 375 A CB -0.503 18.386 19.000 -0.185 0.000 0.816 375 A HN 0.335 nan 8.150 nan 0.000 0.444 376 I N -0.247 120.252 120.570 -0.119 0.000 2.226 376 I HA -0.268 3.940 4.170 0.063 0.000 0.245 376 I C 2.944 179.008 176.117 -0.089 0.000 1.100 376 I CA 1.053 62.304 61.300 -0.082 0.000 1.374 376 I CB -0.271 37.691 38.000 -0.062 0.000 1.057 376 I HN 0.352 nan 8.210 nan 0.000 0.413 377 A N 0.264 123.024 122.820 -0.100 0.000 1.898 377 A HA -0.127 4.231 4.320 0.063 0.000 0.216 377 A C 2.426 179.911 177.584 -0.164 0.000 1.181 377 A CA 1.533 53.507 52.037 -0.105 0.000 0.620 377 A CB -0.875 18.070 19.000 -0.092 0.000 0.819 377 A HN 0.227 nan 8.150 nan 0.000 0.442 378 V N -0.111 119.655 119.914 -0.246 0.000 2.358 378 V HA -0.230 3.928 4.120 0.063 0.000 0.246 378 V C 3.070 178.906 176.094 -0.430 0.000 1.047 378 V CA 1.844 63.849 62.300 -0.491 0.000 1.035 378 V CB -1.218 30.169 31.823 -0.727 0.000 0.658 378 V HN 0.613 nan 8.190 nan 0.000 0.452 379 A N -0.601 122.084 122.820 -0.226 0.000 1.883 379 A HA -0.284 4.074 4.320 0.063 0.000 0.217 379 A C 2.572 180.145 177.584 -0.018 0.000 1.186 379 A CA 2.497 54.498 52.037 -0.059 0.000 0.624 379 A CB -0.927 18.046 19.000 -0.044 0.000 0.822 379 A HN 0.490 nan 8.150 nan 0.000 0.444 380 S N -0.472 115.198 115.700 -0.049 0.000 2.348 380 S HA -0.143 4.364 4.470 0.063 0.000 0.221 380 S C 1.923 176.522 174.600 -0.000 0.000 1.033 380 S CA 1.535 59.722 58.200 -0.020 0.000 1.010 380 S CB -0.541 62.639 63.200 -0.033 0.000 0.891 380 S HN 0.476 nan 8.310 nan 0.000 0.442 381 I N -0.018 120.524 120.570 -0.047 0.000 2.208 381 I HA -0.193 4.014 4.170 0.063 0.000 0.245 381 I C 2.179 178.356 176.117 0.100 0.000 1.097 381 I CA 1.182 62.468 61.300 -0.023 0.000 1.363 381 I CB -0.367 37.561 38.000 -0.120 0.000 1.051 381 I HN 0.440 nan 8.210 nan 0.000 0.413 382 W N 1.385 122.676 121.300 -0.015 0.000 2.436 382 W HA -0.138 4.560 4.660 0.063 0.000 0.284 382 W C 2.648 179.157 176.519 -0.016 0.000 1.225 382 W CA 0.903 58.244 57.345 -0.007 0.000 1.271 382 W CB -0.692 28.763 29.460 -0.008 0.000 1.114 382 W HN 0.095 nan 8.180 nan 0.000 0.559 383 K N 1.108 121.621 120.400 0.188 0.000 2.001 383 K HA -0.155 4.203 4.320 0.063 0.000 0.208 383 K C 1.886 178.532 176.600 0.077 0.000 1.048 383 K CA 1.830 58.172 56.287 0.091 0.000 0.932 383 K CB -0.523 32.005 32.500 0.048 0.000 0.715 383 K HN -0.094 nan 8.250 nan 0.000 0.437 384 K N -0.101 120.343 120.400 0.073 0.000 2.026 384 K HA -0.060 4.298 4.320 0.063 0.000 0.208 384 K C 1.841 178.485 176.600 0.074 0.000 1.048 384 K CA 1.592 57.915 56.287 0.059 0.000 0.929 384 K CB -0.173 32.354 32.500 0.046 0.000 0.713 384 K HN 0.156 nan 8.250 nan 0.000 0.439 385 N N 0.204 118.969 118.700 0.107 0.000 2.333 385 N HA -0.061 4.717 4.740 0.063 0.000 0.178 385 N C 1.212 176.788 175.510 0.110 0.000 1.018 385 N CA 0.758 53.878 53.050 0.116 0.000 0.882 385 N CB 0.247 38.828 38.487 0.156 0.000 0.984 385 N HN 0.034 nan 8.380 nan 0.000 0.434 386 L N -1.558 119.734 121.223 0.115 0.000 3.039 386 L HA 0.421 4.799 4.340 0.063 0.000 0.269 386 L C 0.770 177.659 176.870 0.033 0.000 1.169 386 L CA 0.494 55.373 54.840 0.065 0.000 0.986 386 L CB 0.193 42.279 42.059 0.046 0.000 1.377 386 L HN 0.202 nan 8.230 nan 0.000 0.575 387 G N 0.457 109.283 108.800 0.043 0.000 2.143 387 G HA2 -0.213 3.785 3.960 0.063 0.000 0.248 387 G HA3 -0.213 3.785 3.960 0.063 0.000 0.248 387 G C 0.207 175.104 174.900 -0.005 0.000 0.991 387 G CA 0.435 45.548 45.100 0.023 0.000 0.689 387 G HN 0.815 nan 8.290 nan 0.000 0.522 388 V N -2.445 117.460 119.914 -0.015 0.000 2.617 388 V HA 0.808 4.966 4.120 0.063 0.000 0.298 388 V C -0.059 175.984 176.094 -0.086 0.000 1.048 388 V CA -1.626 60.630 62.300 -0.074 0.000 0.964 388 V CB 1.852 33.613 31.823 -0.104 0.000 1.004 388 V HN 0.180 nan 8.190 nan 0.000 0.466 389 N N 2.473 121.082 118.700 -0.151 0.000 2.400 389 N HA 0.641 5.418 4.740 0.063 0.000 0.288 389 N C -1.079 174.232 175.510 -0.332 0.000 1.024 389 N CA -0.261 52.695 53.050 -0.157 0.000 0.894 389 N CB 2.058 40.491 38.487 -0.091 0.000 1.173 389 N HN 0.639 nan 8.380 nan 0.000 0.487 390 V N 2.389 122.145 119.914 -0.264 0.000 2.604 390 V HA 0.346 4.504 4.120 0.063 0.000 0.305 390 V C -0.437 175.575 176.094 -0.137 0.000 1.043 390 V CA -0.863 61.226 62.300 -0.353 0.000 0.888 390 V CB 1.906 33.566 31.823 -0.273 0.000 0.995 390 V HN 0.602 nan 8.190 nan 0.000 0.429 391 N N 3.929 122.577 118.700 -0.087 0.000 2.469 391 N HA 0.527 5.305 4.740 0.063 0.000 0.253 391 N C -1.063 174.488 175.510 0.069 0.000 0.970 391 N CA -0.636 52.417 53.050 0.006 0.000 0.940 391 N CB 1.380 39.880 38.487 0.022 0.000 1.128 391 N HN 0.402 nan 8.380 nan 0.000 0.503 392 L N 2.317 123.600 121.223 0.100 0.000 2.416 392 L HA 0.216 4.594 4.340 0.063 0.000 0.272 392 L C 0.197 177.168 176.870 0.168 0.000 1.161 392 L CA 0.542 55.500 54.840 0.197 0.000 0.845 392 L CB 0.353 42.560 42.059 0.245 0.000 1.119 392 L HN 0.518 nan 8.230 nan 0.000 0.464 393 E N 2.920 123.209 120.200 0.148 0.000 2.256 393 E HA 0.338 4.725 4.350 0.063 0.000 0.268 393 E C -1.092 175.326 176.600 -0.302 0.000 0.877 393 E CA -0.851 55.545 56.400 -0.007 0.000 0.757 393 E CB 1.683 31.401 29.700 0.030 0.000 1.183 393 E HN 0.557 nan 8.360 nan 0.000 0.418 394 N N 2.656 121.092 118.700 -0.440 0.000 2.443 394 N HA 0.270 5.048 4.740 0.063 0.000 0.295 394 N C -0.680 174.642 175.510 -0.314 0.000 1.076 394 N CA -0.582 52.017 53.050 -0.751 0.000 0.919 394 N CB 2.013 40.103 38.487 -0.661 0.000 1.176 394 N HN 0.440 nan 8.380 nan 0.000 0.487 395 Q N 0.082 119.732 119.800 -0.251 0.000 2.421 395 Q HA 0.274 4.652 4.340 0.063 0.000 0.280 395 Q C -0.965 175.014 176.000 -0.035 0.000 1.085 395 Q CA -0.879 54.882 55.803 -0.071 0.000 0.807 395 Q CB 2.184 30.942 28.738 0.034 0.000 1.405 395 Q HN 0.525 nan 8.270 nan 0.000 0.419 396 E N 0.958 121.176 120.200 0.029 0.000 2.404 396 E HA -0.098 4.289 4.350 0.063 0.000 0.261 396 E C 0.432 177.147 176.600 0.191 0.000 1.074 396 E CA 0.096 56.549 56.400 0.088 0.000 0.917 396 E CB 0.437 30.186 29.700 0.082 0.000 0.965 396 E HN 0.715 nan 8.360 nan 0.000 0.433 397 W N 3.638 124.942 121.300 0.007 0.000 2.290 397 W HA -0.368 4.330 4.660 0.064 0.000 0.328 397 W C 1.794 178.407 176.519 0.156 0.000 1.272 397 W CA 2.184 59.578 57.345 0.082 0.000 1.262 397 W CB -0.013 29.465 29.460 0.029 0.000 1.151 397 W HN 0.577 nan 8.180 nan 0.000 0.473 398 K N -0.460 120.023 120.400 0.139 0.000 2.063 398 K HA -0.186 4.172 4.320 0.063 0.000 0.208 398 K C 2.003 178.573 176.600 -0.050 0.000 1.048 398 K CA 2.366 58.633 56.287 -0.033 0.000 0.928 398 K CB -0.474 32.064 32.500 0.063 0.000 0.713 398 K HN 0.017 nan 8.250 nan 0.000 0.442 399 T N 0.889 115.458 114.554 0.025 0.000 2.708 399 T HA -0.152 4.235 4.350 0.063 0.000 0.266 399 T C 1.372 176.072 174.700 0.001 0.000 1.037 399 T CA 1.395 63.503 62.100 0.014 0.000 1.146 399 T CB -0.420 68.471 68.868 0.039 0.000 0.865 399 T HN 0.334 nan 8.240 nan 0.000 0.435 400 F N 2.091 121.953 119.950 -0.147 0.000 2.091 400 F HA -0.130 4.434 4.527 0.062 0.000 0.299 400 F C 1.886 177.508 175.800 -0.297 0.000 1.103 400 F CA 1.292 59.167 58.000 -0.208 0.000 1.228 400 F CB -0.633 38.263 39.000 -0.174 0.000 0.984 400 F HN 0.063 nan 8.300 nan 0.000 0.477 401 L N 0.007 120.946 121.223 -0.473 0.000 2.046 401 L HA -0.210 4.168 4.340 0.063 0.000 0.208 401 L C 2.223 178.932 176.870 -0.268 0.000 1.077 401 L CA 1.878 56.383 54.840 -0.557 0.000 0.747 401 L CB -0.959 40.797 42.059 -0.505 0.000 0.896 401 L HN 0.215 nan 8.230 nan 0.000 0.432 402 D N -0.462 119.843 120.400 -0.158 0.000 2.117 402 D HA -0.175 4.503 4.640 0.063 0.000 0.197 402 D C 1.987 178.248 176.300 -0.065 0.000 0.987 402 D CA 1.594 55.563 54.000 -0.053 0.000 0.829 402 D CB 0.199 40.973 40.800 -0.043 0.000 0.961 402 D HN 0.102 nan 8.370 nan 0.000 0.460 403 T N -0.295 114.177 114.554 -0.136 0.000 2.720 403 T HA -0.139 4.248 4.350 0.063 0.000 0.268 403 T C 1.989 176.585 174.700 -0.174 0.000 1.037 403 T CA 1.215 63.244 62.100 -0.119 0.000 1.144 403 T CB -0.194 68.597 68.868 -0.128 0.000 0.864 403 T HN 0.185 nan 8.240 nan 0.000 0.444 404 R N -0.004 120.222 120.500 -0.457 0.000 2.075 404 R HA -0.035 4.343 4.340 0.063 0.000 0.232 404 R C 2.500 178.708 176.300 -0.152 0.000 1.126 404 R CA 1.114 56.862 56.100 -0.587 0.000 0.963 404 R CB -0.320 29.408 30.300 -0.953 0.000 0.858 404 R HN 0.506 nan 8.270 nan 0.000 0.435 405 H N 0.732 119.747 119.070 -0.091 0.000 2.389 405 H HA -0.072 4.521 4.556 0.062 0.000 0.299 405 H C 1.966 177.380 175.328 0.144 0.000 1.081 405 H CA 1.307 57.366 56.048 0.019 0.000 1.345 405 H CB 0.180 29.905 29.762 -0.061 0.000 1.393 405 H HN 0.365 nan 8.280 nan 0.000 0.520 406 Q N -0.410 119.494 119.800 0.173 0.000 2.224 406 Q HA -0.021 4.357 4.340 0.063 0.000 0.203 406 Q C 1.231 177.267 176.000 0.059 0.000 0.970 406 Q CA 0.788 56.657 55.803 0.109 0.000 0.865 406 Q CB 0.360 29.133 28.738 0.058 0.000 0.922 406 Q HN 0.639 nan 8.270 nan 0.000 0.445 407 G N 1.372 110.253 108.800 0.135 0.000 2.132 407 G HA2 -0.241 3.757 3.960 0.063 0.000 0.228 407 G HA3 -0.241 3.757 3.960 0.063 0.000 0.228 407 G C 0.300 175.211 174.900 0.017 0.000 1.000 407 G CA 0.462 45.509 45.100 -0.088 0.000 0.693 407 G HN 0.379 nan 8.290 nan 0.000 0.515 408 T N -0.896 113.764 114.554 0.177 0.000 3.540 408 T HA 0.633 5.021 4.350 0.063 0.000 0.269 408 T C -0.081 174.759 174.700 0.233 0.000 1.481 408 T CA 0.039 62.208 62.100 0.115 0.000 1.224 408 T CB -0.574 68.334 68.868 0.067 0.000 1.192 408 T HN 1.645 nan 8.240 nan 0.000 0.756 409 F N -1.640 118.271 119.950 -0.064 0.000 2.817 409 F HA 0.697 5.262 4.527 0.063 0.000 0.317 409 F C -0.982 174.765 175.800 -0.088 0.000 1.168 409 F CA -1.346 56.623 58.000 -0.052 0.000 0.911 409 F CB 0.600 39.561 39.000 -0.066 0.000 1.337 409 F HN -0.105 nan 8.300 nan 0.000 0.464 410 D N 0.517 120.853 120.400 -0.105 0.000 2.845 410 D HA 0.301 4.978 4.640 0.063 0.000 0.272 410 D C -0.366 175.559 176.300 -0.624 0.000 1.275 410 D CA 1.146 54.872 54.000 -0.455 0.000 1.029 410 D CB 0.612 41.366 40.800 -0.077 0.000 1.131 410 D HN 0.249 nan 8.370 nan 0.000 0.423 411 V N 0.514 120.366 119.914 -0.103 0.000 2.735 411 V HA 0.768 4.926 4.120 0.063 0.000 0.310 411 V C -0.686 175.634 176.094 0.377 0.000 1.061 411 V CA -0.875 61.474 62.300 0.082 0.000 0.913 411 V CB 1.797 33.658 31.823 0.064 0.000 1.005 411 V HN 0.320 nan 8.190 nan 0.000 0.428 412 A N 3.892 126.907 122.820 0.324 0.000 2.414 412 A HA 0.765 5.123 4.320 0.063 0.000 0.306 412 A C -0.328 177.352 177.584 0.161 0.000 1.054 412 A CA -0.781 51.352 52.037 0.160 0.000 0.724 412 A CB 1.615 20.406 19.000 -0.347 0.000 1.267 412 A HN 0.742 nan 8.150 nan 0.000 0.418 413 R N 1.171 121.808 120.500 0.229 0.000 2.623 413 R HA 0.457 4.835 4.340 0.063 0.000 0.271 413 R C -0.325 175.790 176.300 -0.309 0.000 1.043 413 R CA 1.113 57.141 56.100 -0.121 0.000 1.083 413 R CB 0.408 30.704 30.300 -0.006 0.000 0.974 413 R HN 1.255 nan 8.270 nan 0.000 0.436 414 A N 1.829 124.199 122.820 -0.750 0.000 2.609 414 A HA 0.709 5.066 4.320 0.063 0.000 0.291 414 A C -1.066 176.035 177.584 -0.805 0.000 1.096 414 A CA -0.138 51.434 52.037 -0.776 0.000 0.684 414 A CB 2.043 20.256 19.000 -1.310 0.000 1.282 414 A HN 0.802 nan 8.150 nan 0.000 0.412 415 G N -0.264 108.357 108.800 -0.298 0.000 2.728 415 G HA2 0.511 4.509 3.960 0.063 0.000 0.294 415 G HA3 0.511 4.509 3.960 0.063 0.000 0.294 415 G C -1.451 173.632 174.900 0.305 0.000 1.398 415 G CA -0.198 44.955 45.100 0.089 0.000 1.183 415 G HN 0.951 nan 8.290 nan 0.000 0.578 416 W N 2.792 124.219 121.300 0.211 0.000 2.632 416 W HA 0.583 5.283 4.660 0.067 0.000 0.328 416 W C -1.159 175.206 176.519 -0.257 0.000 1.044 416 W CA -0.792 56.514 57.345 -0.066 0.000 1.225 416 W CB 2.091 31.456 29.460 -0.159 0.000 1.396 416 W HN 0.546 nan 8.180 nan 0.000 0.499 417 c N 4.034 122.097 118.600 -0.895 0.000 2.417 417 c HA 0.655 5.262 4.570 0.063 0.000 0.324 417 c C 0.823 174.368 174.090 -0.908 0.000 1.240 417 c CA -0.544 55.357 56.329 -0.713 0.000 1.632 417 c CB 0.636 42.786 42.510 -0.600 0.000 2.241 417 c HN 0.705 nan 8.230 nan 0.000 0.499 418 A N 2.210 124.763 122.820 -0.445 0.000 2.520 418 A HA 0.171 4.528 4.320 0.063 0.000 0.235 418 A C 0.844 178.277 177.584 -0.251 0.000 1.065 418 A CA 0.458 52.313 52.037 -0.304 0.000 0.764 418 A CB 0.200 19.175 19.000 -0.042 0.000 1.002 418 A HN 0.934 nan 8.150 nan 0.000 0.502 419 D N -0.810 119.492 120.400 -0.163 0.000 2.338 419 D HA 0.157 4.834 4.640 0.063 0.000 0.208 419 D C -0.270 176.163 176.300 0.222 0.000 0.997 419 D CA 1.427 55.466 54.000 0.065 0.000 0.880 419 D CB 0.187 41.060 40.800 0.121 0.000 0.980 419 D HN 0.682 nan 8.370 nan 0.000 0.509 420 Y N -1.243 119.081 120.300 0.039 0.000 2.562 420 Y HA 0.500 5.085 4.550 0.060 0.000 0.345 420 Y C -0.640 175.247 175.900 -0.023 0.000 1.045 420 Y CA -1.618 56.487 58.100 0.008 0.000 1.028 420 Y CB 0.458 38.910 38.460 -0.013 0.000 1.297 420 Y HN -0.400 nan 8.280 nan 0.000 0.463 421 N N 2.998 121.731 118.700 0.056 0.000 2.663 421 N HA 0.214 4.991 4.740 0.063 0.000 0.250 421 N C -1.162 174.295 175.510 -0.087 0.000 1.129 421 N CA 0.390 53.415 53.050 -0.042 0.000 0.995 421 N CB -0.179 38.320 38.487 0.020 0.000 1.324 421 N HN 0.775 nan 8.380 nan 0.000 0.512 422 E N 2.813 122.865 120.200 -0.246 0.000 2.422 422 E HA 0.201 4.589 4.350 0.063 0.000 0.289 422 E C -2.422 173.901 176.600 -0.461 0.000 0.985 422 E CA -1.349 54.862 56.400 -0.316 0.000 0.812 422 E CB 1.701 31.199 29.700 -0.335 0.000 1.226 422 E HN 0.099 nan 8.360 nan 0.000 0.419 423 P HA -0.149 nan 4.420 nan 0.000 0.217 423 P C 1.199 178.138 177.300 -0.602 0.000 1.148 423 P CA 2.202 64.925 63.100 -0.628 0.000 0.828 423 P CB 0.139 31.284 31.700 -0.925 0.000 0.783 424 T N -4.571 109.593 114.554 -0.650 0.000 2.962 424 T HA -0.104 4.284 4.350 0.063 0.000 0.270 424 T C 1.989 176.480 174.700 -0.349 0.000 1.088 424 T CA 1.289 63.169 62.100 -0.367 0.000 1.127 424 T CB -1.189 67.622 68.868 -0.094 0.000 0.883 424 T HN -0.013 nan 8.240 nan 0.000 0.493 425 S N -0.077 115.256 115.700 -0.612 0.000 2.400 425 S HA -0.026 4.482 4.470 0.063 0.000 0.232 425 S C 1.349 175.814 174.600 -0.226 0.000 1.025 425 S CA 0.845 58.645 58.200 -0.666 0.000 0.993 425 S CB -0.577 61.965 63.200 -1.096 0.000 0.808 425 S HN 0.568 nan 8.310 nan 0.000 0.478 426 F N 0.919 120.671 119.950 -0.330 0.000 2.164 426 F HA 0.295 4.858 4.527 0.060 0.000 0.287 426 F C 1.993 177.634 175.800 -0.264 0.000 1.086 426 F CA 0.623 58.393 58.000 -0.384 0.000 1.249 426 F CB -0.539 38.103 39.000 -0.595 0.000 1.059 426 F HN 0.099 nan 8.300 nan 0.000 0.490 427 L N 0.111 121.339 121.223 0.009 0.000 2.127 427 L HA -0.259 4.118 4.340 0.063 0.000 0.211 427 L C 1.879 178.828 176.870 0.132 0.000 1.089 427 L CA 1.011 55.949 54.840 0.164 0.000 0.757 427 L CB -0.684 41.421 42.059 0.076 0.000 0.899 427 L HN 0.158 nan 8.230 nan 0.000 0.434 428 N N -0.565 118.048 118.700 -0.145 0.000 2.453 428 N HA -0.133 4.645 4.740 0.063 0.000 0.183 428 N C 1.867 177.255 175.510 -0.203 0.000 1.041 428 N CA 1.667 54.553 53.050 -0.274 0.000 0.900 428 N CB -0.361 37.561 38.487 -0.940 0.000 0.961 428 N HN 0.466 nan 8.380 nan 0.000 0.443 429 T N -2.518 111.885 114.554 -0.252 0.000 3.085 429 T HA 0.065 4.453 4.350 0.063 0.000 0.263 429 T C 1.398 175.981 174.700 -0.196 0.000 1.127 429 T CA 0.537 62.473 62.100 -0.272 0.000 1.103 429 T CB 0.029 68.480 68.868 -0.695 0.000 0.921 429 T HN -0.042 nan 8.240 nan 0.000 0.510 430 M N 0.699 120.237 119.600 -0.104 0.000 2.371 430 M HA 0.437 4.955 4.480 0.063 0.000 0.246 430 M C 0.289 176.603 176.300 0.024 0.000 1.103 430 M CA -0.225 54.964 55.300 -0.187 0.000 1.010 430 M CB -0.506 31.751 32.600 -0.571 0.000 1.457 430 M HN 0.290 nan 8.290 nan 0.000 0.486 431 L N 0.074 121.412 121.223 0.191 0.000 2.483 431 L HA 0.035 4.413 4.340 0.063 0.000 0.276 431 L C 1.768 178.700 176.870 0.103 0.000 1.213 431 L CA -0.269 54.716 54.840 0.242 0.000 0.843 431 L CB 0.422 42.614 42.059 0.221 0.000 1.107 431 L HN 0.173 nan 8.230 nan 0.000 0.487 432 S N 0.829 116.574 115.700 0.075 0.000 2.374 432 S HA -0.182 4.326 4.470 0.063 0.000 0.227 432 S C 1.124 175.732 174.600 0.014 0.000 1.037 432 S CA 1.815 60.018 58.200 0.005 0.000 1.024 432 S CB -0.245 62.953 63.200 -0.003 0.000 0.861 432 S HN 0.903 nan 8.310 nan 0.000 0.456 433 D N 0.529 120.953 120.400 0.041 0.000 2.342 433 D HA 0.136 4.814 4.640 0.063 0.000 0.221 433 D C 0.296 176.621 176.300 0.042 0.000 1.101 433 D CA -0.046 53.976 54.000 0.035 0.000 0.837 433 D CB -0.324 40.500 40.800 0.040 0.000 0.938 433 D HN 0.153 nan 8.370 nan 0.000 0.508 434 S N 0.433 116.167 115.700 0.057 0.000 2.533 434 S HA 0.108 4.616 4.470 0.063 0.000 0.282 434 S C 1.569 176.178 174.600 0.015 0.000 1.304 434 S CA 0.066 58.313 58.200 0.078 0.000 1.063 434 S CB 0.769 64.038 63.200 0.114 0.000 0.881 434 S HN 0.287 nan 8.310 nan 0.000 0.493 435 S N 3.997 119.695 115.700 -0.004 0.000 2.469 435 S HA -0.111 4.397 4.470 0.063 0.000 0.238 435 S C 0.917 175.513 174.600 -0.005 0.000 0.998 435 S CA 1.246 59.429 58.200 -0.029 0.000 0.957 435 S CB -0.645 62.512 63.200 -0.072 0.000 0.764 435 S HN 0.867 nan 8.310 nan 0.000 0.514 436 N N 1.621 120.298 118.700 -0.039 0.000 2.322 436 N HA 0.148 4.925 4.740 0.063 0.000 0.194 436 N C -0.067 175.307 175.510 -0.226 0.000 1.126 436 N CA -0.097 52.886 53.050 -0.113 0.000 0.845 436 N CB -0.018 38.324 38.487 -0.242 0.000 0.976 436 N HN 0.245 nan 8.380 nan 0.000 0.475 437 N N 1.275 119.859 118.700 -0.193 0.000 2.605 437 N HA 0.008 4.786 4.740 0.063 0.000 0.258 437 N C 0.480 175.707 175.510 -0.472 0.000 1.156 437 N CA 0.198 53.076 53.050 -0.286 0.000 1.008 437 N CB 0.399 38.769 38.487 -0.194 0.000 1.354 437 N HN 0.210 nan 8.380 nan 0.000 0.509 438 T N -0.935 113.329 114.554 -0.485 0.000 3.100 438 T HA 0.148 4.536 4.350 0.063 0.000 0.253 438 T C 1.565 176.114 174.700 -0.251 0.000 1.118 438 T CA 0.324 62.096 62.100 -0.545 0.000 1.058 438 T CB 0.217 68.753 68.868 -0.554 0.000 0.953 438 T HN 0.282 nan 8.240 nan 0.000 0.515 439 A N 1.084 123.778 122.820 -0.211 0.000 2.067 439 A HA 0.130 4.488 4.320 0.063 0.000 0.217 439 A C 0.861 178.476 177.584 0.051 0.000 1.156 439 A CA 0.685 52.700 52.037 -0.037 0.000 0.683 439 A CB -0.899 18.015 19.000 -0.143 0.000 0.808 439 A HN 0.720 nan 8.150 nan 0.000 0.455 440 H N -3.641 115.415 119.070 -0.023 0.000 2.770 440 H HA -0.226 4.368 4.556 0.063 0.000 0.309 440 H C -0.349 174.979 175.328 -0.001 0.000 1.206 440 H CA 0.968 57.002 56.048 -0.024 0.000 1.147 440 H CB -2.237 27.495 29.762 -0.050 0.000 1.422 440 H HN 0.682 nan 8.280 nan 0.000 0.420 441 Y N 1.316 121.551 120.300 -0.107 0.000 2.320 441 Y HA 0.454 5.042 4.550 0.063 0.000 0.334 441 Y C -0.256 175.574 175.900 -0.117 0.000 1.055 441 Y CA -0.840 57.178 58.100 -0.136 0.000 1.143 441 Y CB 0.896 39.211 38.460 -0.242 0.000 1.193 441 Y HN 0.100 nan 8.280 nan 0.000 0.477 442 K N 4.969 125.037 120.400 -0.553 0.000 2.690 442 K HA 0.288 4.646 4.320 0.063 0.000 0.243 442 K C -1.383 174.892 176.600 -0.542 0.000 0.982 442 K CA -0.515 55.519 56.287 -0.422 0.000 0.955 442 K CB 1.537 33.926 32.500 -0.184 0.000 1.185 442 K HN 0.545 nan 8.250 nan 0.000 0.467 443 S N 3.383 118.735 115.700 -0.580 0.000 2.707 443 S HA 0.370 4.878 4.470 0.063 0.000 0.312 443 S C -2.118 172.448 174.600 -0.057 0.000 1.116 443 S CA -1.809 56.191 58.200 -0.334 0.000 1.078 443 S CB 1.048 64.044 63.200 -0.340 0.000 0.997 443 S HN 0.211 nan 8.310 nan 0.000 0.477 444 P HA -0.042 nan 4.420 nan 0.000 0.216 444 P C 1.405 178.735 177.300 0.050 0.000 1.150 444 P CA 1.385 64.493 63.100 0.014 0.000 0.837 444 P CB 0.106 31.805 31.700 -0.001 0.000 0.786 445 A N -1.156 121.701 122.820 0.062 0.000 1.898 445 A HA -0.189 4.168 4.320 0.063 0.000 0.216 445 A C 2.130 179.786 177.584 0.121 0.000 1.181 445 A CA 1.321 53.406 52.037 0.080 0.000 0.620 445 A CB -1.810 17.241 19.000 0.084 0.000 0.819 445 A HN 0.164 nan 8.150 nan 0.000 0.442 446 F N 1.274 121.253 119.950 0.048 0.000 2.102 446 F HA -0.194 4.370 4.527 0.062 0.000 0.298 446 F C 1.806 177.651 175.800 0.074 0.000 1.105 446 F CA 2.117 60.174 58.000 0.095 0.000 1.239 446 F CB -0.169 38.945 39.000 0.190 0.000 0.991 446 F HN 0.230 nan 8.300 nan 0.000 0.474 447 D N 0.483 121.010 120.400 0.211 0.000 2.104 447 D HA -0.225 4.453 4.640 0.063 0.000 0.194 447 D C 2.112 178.413 176.300 0.001 0.000 0.994 447 D CA 1.562 55.629 54.000 0.111 0.000 0.830 447 D CB -0.433 40.438 40.800 0.118 0.000 0.959 447 D HN 0.191 nan 8.370 nan 0.000 0.452 448 K N 0.830 121.233 120.400 0.005 0.000 2.057 448 K HA -0.057 4.301 4.320 0.063 0.000 0.207 448 K C 2.152 178.724 176.600 -0.047 0.000 1.049 448 K CA 0.780 57.061 56.287 -0.009 0.000 0.931 448 K CB -0.564 31.938 32.500 0.003 0.000 0.714 448 K HN 0.123 nan 8.250 nan 0.000 0.440 449 L N 0.313 121.480 121.223 -0.093 0.000 2.042 449 L HA -0.192 4.186 4.340 0.063 0.000 0.210 449 L C 2.179 178.972 176.870 -0.128 0.000 1.076 449 L CA 0.842 55.609 54.840 -0.121 0.000 0.749 449 L CB -0.496 41.470 42.059 -0.156 0.000 0.893 449 L HN 0.181 nan 8.230 nan 0.000 0.432 450 I N 0.053 120.508 120.570 -0.192 0.000 2.315 450 I HA -0.197 4.011 4.170 0.063 0.000 0.248 450 I C 2.843 178.972 176.117 0.019 0.000 1.117 450 I CA 1.440 62.693 61.300 -0.079 0.000 1.404 450 I CB -1.664 36.259 38.000 -0.128 0.000 1.071 450 I HN 0.168 nan 8.210 nan 0.000 0.419 451 A N 0.812 123.639 122.820 0.013 0.000 1.908 451 A HA -0.231 4.127 4.320 0.063 0.000 0.218 451 A C 1.925 179.510 177.584 0.003 0.000 1.181 451 A CA 2.063 54.120 52.037 0.033 0.000 0.627 451 A CB -0.667 18.351 19.000 0.029 0.000 0.818 451 A HN 0.357 nan 8.150 nan 0.000 0.445 452 D N -0.501 119.890 120.400 -0.015 0.000 2.264 452 D HA -0.094 4.584 4.640 0.063 0.000 0.208 452 D C 2.213 178.490 176.300 -0.038 0.000 0.966 452 D CA 1.677 55.660 54.000 -0.029 0.000 0.864 452 D CB -0.553 40.224 40.800 -0.038 0.000 0.933 452 D HN 0.670 nan 8.370 nan 0.000 0.499 453 T N -1.467 113.070 114.554 -0.029 0.000 2.881 453 T HA -0.091 4.297 4.350 0.063 0.000 0.270 453 T C 1.814 176.514 174.700 0.000 0.000 1.068 453 T CA 0.661 62.735 62.100 -0.043 0.000 1.131 453 T CB -0.227 68.652 68.868 0.018 0.000 0.871 453 T HN 0.168 nan 8.240 nan 0.000 0.479 454 L N -0.651 120.572 121.223 0.000 0.000 2.667 454 L HA 0.379 4.757 4.340 0.063 0.000 0.232 454 L C 2.106 178.954 176.870 -0.036 0.000 1.138 454 L CA 0.098 54.924 54.840 -0.023 0.000 0.921 454 L CB 0.083 42.077 42.059 -0.109 0.000 1.180 454 L HN 0.173 nan 8.230 nan 0.000 0.487 455 K N -0.143 120.239 120.400 -0.030 0.000 2.361 455 K HA 0.086 4.444 4.320 0.063 0.000 0.194 455 K C 0.444 177.034 176.600 -0.015 0.000 1.032 455 K CA 0.074 56.347 56.287 -0.023 0.000 1.048 455 K CB 0.732 33.218 32.500 -0.023 0.000 0.842 455 K HN 0.153 nan 8.250 nan 0.000 0.526 456 V N -2.833 117.069 119.914 -0.019 0.000 2.966 456 V HA 0.709 4.867 4.120 0.063 0.000 0.317 456 V C -0.019 176.074 176.094 -0.002 0.000 1.070 456 V CA -0.882 61.408 62.300 -0.016 0.000 1.008 456 V CB 1.642 33.444 31.823 -0.035 0.000 1.070 456 V HN -0.079 nan 8.190 nan 0.000 0.457 457 A N 1.424 124.250 122.820 0.009 0.000 2.705 457 A HA 0.558 4.916 4.320 0.063 0.000 0.294 457 A C -0.151 177.447 177.584 0.023 0.000 1.039 457 A CA -0.015 52.038 52.037 0.027 0.000 1.005 457 A CB -0.676 18.355 19.000 0.051 0.000 1.192 457 A HN 0.941 nan 8.150 nan 0.000 0.513 458 D N -0.673 119.729 120.400 0.003 0.000 2.757 458 D HA 0.281 4.959 4.640 0.063 0.000 0.249 458 D C -0.257 176.032 176.300 -0.018 0.000 1.168 458 D CA -0.292 53.707 54.000 -0.001 0.000 0.870 458 D CB 1.543 42.338 40.800 -0.007 0.000 1.411 458 D HN -0.008 nan 8.370 nan 0.000 0.525 459 D N 1.673 122.073 120.400 -0.001 0.000 2.219 459 D HA -0.081 4.597 4.640 0.063 0.000 0.205 459 D C 1.412 177.693 176.300 -0.032 0.000 0.970 459 D CA 1.011 55.009 54.000 -0.004 0.000 0.851 459 D CB 0.386 41.206 40.800 0.033 0.000 0.943 459 D HN 0.442 nan 8.370 nan 0.000 0.488 460 T N 0.685 115.225 114.554 -0.023 0.000 2.777 460 T HA -0.123 4.265 4.350 0.063 0.000 0.266 460 T C 1.951 176.614 174.700 -0.061 0.000 1.040 460 T CA 0.978 63.060 62.100 -0.030 0.000 1.141 460 T CB -0.033 68.827 68.868 -0.013 0.000 0.868 460 T HN 0.244 nan 8.240 nan 0.000 0.444 461 Q N 0.326 120.085 119.800 -0.068 0.000 2.079 461 Q HA 0.000 4.378 4.340 0.063 0.000 0.200 461 Q C 2.538 178.434 176.000 -0.172 0.000 0.974 461 Q CA 0.950 56.698 55.803 -0.091 0.000 0.840 461 Q CB -0.121 28.576 28.738 -0.068 0.000 0.898 461 Q HN 0.353 nan 8.270 nan 0.000 0.430 462 R N 0.226 120.595 120.500 -0.217 0.000 2.073 462 R HA -0.118 4.259 4.340 0.063 0.000 0.234 462 R C 2.338 178.210 176.300 -0.714 0.000 1.134 462 R CA 1.593 57.415 56.100 -0.463 0.000 0.952 462 R CB -0.044 30.058 30.300 -0.330 0.000 0.850 462 R HN 0.087 nan 8.270 nan 0.000 0.433 463 S N 0.448 115.941 115.700 -0.346 0.000 2.382 463 S HA -0.123 4.384 4.470 0.063 0.000 0.228 463 S C 1.528 176.063 174.600 -0.109 0.000 1.027 463 S CA 1.244 59.353 58.200 -0.152 0.000 0.991 463 S CB -0.084 63.106 63.200 -0.018 0.000 0.823 463 S HN 0.423 nan 8.310 nan 0.000 0.469 464 E N 0.814 120.943 120.200 -0.119 0.000 2.072 464 E HA -0.079 4.309 4.350 0.063 0.000 0.191 464 E C 2.002 178.555 176.600 -0.077 0.000 0.985 464 E CA 0.833 57.191 56.400 -0.069 0.000 0.801 464 E CB -0.254 29.410 29.700 -0.059 0.000 0.750 464 E HN 0.429 nan 8.360 nan 0.000 0.452 465 L N 0.164 121.293 121.223 -0.157 0.000 2.093 465 L HA -0.181 4.197 4.340 0.063 0.000 0.208 465 L C 2.355 179.195 176.870 -0.049 0.000 1.085 465 L CA 0.843 55.603 54.840 -0.133 0.000 0.755 465 L CB -0.390 41.549 42.059 -0.200 0.000 0.904 465 L HN 0.141 nan 8.230 nan 0.000 0.435 466 Y N -0.024 120.246 120.300 -0.050 0.000 2.181 466 Y HA -0.199 4.389 4.550 0.063 0.000 0.288 466 Y C 2.656 178.539 175.900 -0.030 0.000 1.146 466 Y CA 0.576 58.643 58.100 -0.055 0.000 1.164 466 Y CB -1.289 37.134 38.460 -0.062 0.000 0.982 466 Y HN 0.120 nan 8.280 nan 0.000 0.515 467 A N 0.394 123.289 122.820 0.125 0.000 1.902 467 A HA -0.173 4.185 4.320 0.063 0.000 0.217 467 A C 2.275 179.904 177.584 0.076 0.000 1.181 467 A CA 1.664 53.750 52.037 0.082 0.000 0.623 467 A CB -0.385 18.644 19.000 0.048 0.000 0.818 467 A HN 0.186 nan 8.150 nan 0.000 0.443 468 K N 0.042 120.473 120.400 0.052 0.000 2.148 468 K HA 0.013 4.370 4.320 0.063 0.000 0.204 468 K C 2.177 178.824 176.600 0.078 0.000 1.050 468 K CA 1.273 57.591 56.287 0.051 0.000 0.942 468 K CB -0.878 31.634 32.500 0.021 0.000 0.724 468 K HN 0.462 nan 8.250 nan 0.000 0.446 469 A N 1.843 124.700 122.820 0.062 0.000 1.898 469 A HA -0.148 4.209 4.320 0.063 0.000 0.216 469 A C 2.074 179.826 177.584 0.279 0.000 1.181 469 A CA 1.251 53.328 52.037 0.068 0.000 0.620 469 A CB -0.201 18.702 19.000 -0.161 0.000 0.819 469 A HN 0.200 nan 8.150 nan 0.000 0.442 470 E N 0.003 120.325 120.200 0.203 0.000 2.077 470 E HA -0.209 4.179 4.350 0.063 0.000 0.193 470 E C 2.183 178.880 176.600 0.163 0.000 0.989 470 E CA 1.327 57.837 56.400 0.184 0.000 0.800 470 E CB -0.353 29.419 29.700 0.120 0.000 0.746 470 E HN 0.768 nan 8.360 nan 0.000 0.452 471 Q N 0.242 120.127 119.800 0.143 0.000 2.124 471 Q HA -0.217 4.161 4.340 0.063 0.000 0.202 471 Q C 2.206 178.294 176.000 0.147 0.000 0.977 471 Q CA 1.445 57.327 55.803 0.131 0.000 0.850 471 Q CB -0.091 28.707 28.738 0.101 0.000 0.901 471 Q HN 0.099 nan 8.270 nan 0.000 0.429 472 Q N 0.798 120.709 119.800 0.186 0.000 2.079 472 Q HA -0.162 4.216 4.340 0.063 0.000 0.200 472 Q C 1.828 177.950 176.000 0.205 0.000 0.974 472 Q CA 1.099 57.036 55.803 0.222 0.000 0.840 472 Q CB -0.302 28.623 28.738 0.311 0.000 0.898 472 Q HN 0.298 nan 8.270 nan 0.000 0.430 473 L N 0.737 122.066 121.223 0.177 0.000 2.012 473 L HA -0.174 4.204 4.340 0.063 0.000 0.210 473 L C 1.834 178.653 176.870 -0.085 0.000 1.073 473 L CA 2.490 57.261 54.840 -0.114 0.000 0.748 473 L CB -0.878 41.069 42.059 -0.186 0.000 0.891 473 L HN 0.397 nan 8.230 nan 0.000 0.431 474 D N -0.695 119.727 120.400 0.036 0.000 2.117 474 D HA -0.244 4.434 4.640 0.063 0.000 0.197 474 D C 2.186 178.528 176.300 0.069 0.000 0.987 474 D CA 1.666 55.717 54.000 0.086 0.000 0.829 474 D CB -0.060 40.867 40.800 0.212 0.000 0.961 474 D HN 0.526 nan 8.370 nan 0.000 0.460 475 K N -0.362 120.092 120.400 0.089 0.000 2.148 475 K HA -0.099 4.258 4.320 0.063 0.000 0.204 475 K C 0.955 177.586 176.600 0.051 0.000 1.050 475 K CA 1.411 57.745 56.287 0.079 0.000 0.942 475 K CB -0.013 32.544 32.500 0.095 0.000 0.724 475 K HN 0.015 nan 8.250 nan 0.000 0.446 476 D N 0.984 121.418 120.400 0.057 0.000 2.349 476 D HA 0.030 4.708 4.640 0.063 0.000 0.224 476 D C -0.335 175.959 176.300 -0.010 0.000 1.029 476 D CA 0.348 54.386 54.000 0.062 0.000 0.879 476 D CB 0.254 41.169 40.800 0.192 0.000 0.906 476 D HN 0.125 nan 8.370 nan 0.000 0.528 477 S N 0.059 115.721 115.700 -0.064 0.000 3.477 477 S HA -0.259 4.249 4.470 0.063 0.000 0.371 477 S C 1.457 175.975 174.600 -0.138 0.000 0.965 477 S CA 0.301 58.436 58.200 -0.107 0.000 1.239 477 S CB -1.182 61.954 63.200 -0.107 0.000 0.918 477 S HN 0.521 nan 8.310 nan 0.000 0.498 478 A N 0.344 123.005 122.820 -0.266 0.000 1.933 478 A HA 0.248 4.605 4.320 0.063 0.000 0.218 478 A C 0.984 178.409 177.584 -0.265 0.000 1.175 478 A CA 1.531 53.331 52.037 -0.395 0.000 0.628 478 A CB -0.406 18.002 19.000 -0.987 0.000 0.814 478 A HN 1.072 nan 8.150 nan 0.000 0.444 479 I N -5.759 114.671 120.570 -0.233 0.000 3.322 479 I HA 0.655 4.863 4.170 0.063 0.000 0.313 479 I C -0.996 175.134 176.117 0.021 0.000 1.129 479 I CA -1.279 59.971 61.300 -0.083 0.000 0.963 479 I CB 2.292 40.171 38.000 -0.201 0.000 1.273 479 I HN -0.257 nan 8.210 nan 0.000 0.473 480 V N 2.604 122.628 119.914 0.183 0.000 2.257 480 V HA 0.392 4.550 4.120 0.063 0.000 0.269 480 V C -2.355 173.902 176.094 0.272 0.000 1.040 480 V CA -1.543 60.902 62.300 0.242 0.000 0.813 480 V CB 0.430 32.499 31.823 0.409 0.000 1.065 480 V HN 0.595 nan 8.190 nan 0.000 0.457 481 P HA 0.120 nan 4.420 nan 0.000 0.264 481 P C 0.517 177.917 177.300 0.167 0.000 1.193 481 P CA 0.442 63.630 63.100 0.147 0.000 0.763 481 P CB 1.375 33.123 31.700 0.079 0.000 0.810 482 V N 2.799 122.764 119.914 0.086 0.000 2.870 482 V HA 0.191 4.348 4.120 0.063 0.000 0.232 482 V C -0.024 176.075 176.094 0.007 0.000 1.161 482 V CA 1.094 63.438 62.300 0.074 0.000 1.204 482 V CB -0.548 31.301 31.823 0.043 0.000 1.003 482 V HN 0.568 nan 8.190 nan 0.000 0.499 483 Y N -2.375 117.834 120.300 -0.150 0.000 2.609 483 Y HA 0.734 5.321 4.550 0.061 0.000 0.336 483 Y C -1.620 174.106 175.900 -0.290 0.000 1.129 483 Y CA -2.515 55.415 58.100 -0.283 0.000 1.040 483 Y CB 0.510 38.847 38.460 -0.204 0.000 1.310 483 Y HN 0.092 nan 8.280 nan 0.000 0.460 484 Y N 1.632 122.145 120.300 0.355 0.000 2.327 484 Y HA 0.410 4.998 4.550 0.063 0.000 0.336 484 Y C -0.375 175.839 175.900 0.523 0.000 1.035 484 Y CA -0.903 57.411 58.100 0.357 0.000 1.165 484 Y CB 0.169 38.824 38.460 0.325 0.000 1.181 484 Y HN 0.540 nan 8.280 nan 0.000 0.494 485 Y N 1.668 122.276 120.300 0.514 0.000 2.357 485 Y HA 0.359 4.947 4.550 0.063 0.000 0.340 485 Y C 0.555 176.688 175.900 0.389 0.000 1.260 485 Y CA -0.826 57.564 58.100 0.484 0.000 1.425 485 Y CB 0.427 39.119 38.460 0.387 0.000 1.326 485 Y HN 0.400 nan 8.280 nan 0.000 0.580 486 V N -0.239 119.956 119.914 0.469 0.000 2.881 486 V HA 0.507 4.665 4.120 0.063 0.000 0.316 486 V C -0.453 175.837 176.094 0.326 0.000 1.070 486 V CA -1.302 61.184 62.300 0.310 0.000 0.976 486 V CB 1.917 33.810 31.823 0.117 0.000 1.038 486 V HN 0.746 nan 8.190 nan 0.000 0.446 487 N N 2.445 121.204 118.700 0.099 0.000 2.602 487 N HA 0.527 5.304 4.740 0.063 0.000 0.238 487 N C -0.360 175.072 175.510 -0.130 0.000 1.084 487 N CA 0.156 53.060 53.050 -0.244 0.000 0.952 487 N CB 0.612 38.689 38.487 -0.684 0.000 1.244 487 N HN 1.172 nan 8.380 nan 0.000 0.512 488 A N 4.120 126.885 122.820 -0.091 0.000 2.271 488 A HA 0.769 5.127 4.320 0.063 0.000 0.317 488 A C -0.106 177.405 177.584 -0.121 0.000 1.245 488 A CA -0.688 51.304 52.037 -0.075 0.000 0.857 488 A CB 0.517 19.450 19.000 -0.112 0.000 1.175 488 A HN 0.821 nan 8.150 nan 0.000 0.512 489 R N 1.473 121.906 120.500 -0.111 0.000 2.752 489 R HA 0.769 5.147 4.340 0.063 0.000 0.271 489 R C -1.791 174.381 176.300 -0.214 0.000 1.026 489 R CA -0.968 55.020 56.100 -0.187 0.000 0.901 489 R CB 0.984 31.131 30.300 -0.255 0.000 1.243 489 R HN 0.399 nan 8.270 nan 0.000 0.463 490 L N 1.285 122.286 121.223 -0.371 0.000 2.309 490 L HA 0.694 5.071 4.340 0.063 0.000 0.282 490 L C -0.779 175.834 176.870 -0.429 0.000 1.036 490 L CA -1.331 53.184 54.840 -0.541 0.000 0.806 490 L CB 1.984 43.313 42.059 -1.217 0.000 1.220 490 L HN 0.337 nan 8.230 nan 0.000 0.429 491 V N 2.963 122.751 119.914 -0.209 0.000 2.525 491 V HA 0.332 4.489 4.120 0.063 0.000 0.299 491 V C 0.004 176.022 176.094 -0.126 0.000 1.034 491 V CA -1.124 61.093 62.300 -0.139 0.000 0.863 491 V CB 1.832 33.530 31.823 -0.208 0.000 0.999 491 V HN 0.601 nan 8.190 nan 0.000 0.423 492 K N 4.824 125.051 120.400 -0.288 0.000 2.380 492 K HA 0.168 4.526 4.320 0.063 0.000 0.267 492 K C -1.634 174.514 176.600 -0.754 0.000 0.990 492 K CA -1.513 54.278 56.287 -0.826 0.000 0.946 492 K CB 0.876 32.325 32.500 -1.751 0.000 0.937 492 K HN 0.289 nan 8.250 nan 0.000 0.491 493 P HA -0.121 nan 4.420 nan 0.000 0.219 493 P C 0.709 177.893 177.300 -0.192 0.000 1.146 493 P CA 1.205 64.116 63.100 -0.314 0.000 0.808 493 P CB -0.051 31.557 31.700 -0.154 0.000 0.779 494 W N -1.856 119.339 121.300 -0.175 0.000 3.256 494 W HA 0.286 4.984 4.660 0.063 0.000 0.269 494 W C -0.419 176.014 176.519 -0.143 0.000 1.310 494 W CA -0.163 57.083 57.345 -0.165 0.000 1.673 494 W CB -1.255 27.983 29.460 -0.369 0.000 1.115 494 W HN -0.389 nan 8.180 nan 0.000 0.686 495 V N 3.234 123.028 119.914 -0.200 0.000 2.372 495 V HA 0.558 4.715 4.120 0.063 0.000 0.261 495 V C 0.943 176.884 176.094 -0.255 0.000 1.055 495 V CA -0.214 61.977 62.300 -0.180 0.000 0.930 495 V CB -0.136 31.549 31.823 -0.230 0.000 1.031 495 V HN 0.206 nan 8.190 nan 0.000 0.479 496 G N 2.695 111.181 108.800 -0.524 0.000 2.437 496 G HA2 0.559 4.557 3.960 0.063 0.000 0.319 496 G HA3 0.559 4.557 3.960 0.063 0.000 0.319 496 G C 0.843 175.251 174.900 -0.820 0.000 1.158 496 G CA 0.110 44.680 45.100 -0.884 0.000 0.899 496 G HN 1.438 nan 8.290 nan 0.000 0.502 497 G N -1.299 107.291 108.800 -0.349 0.000 2.194 497 G HA2 -0.258 3.740 3.960 0.063 0.000 0.236 497 G HA3 -0.258 3.740 3.960 0.063 0.000 0.236 497 G C 0.163 175.098 174.900 0.060 0.000 0.987 497 G CA 0.644 45.731 45.100 -0.022 0.000 0.635 497 G HN 1.206 nan 8.290 nan 0.000 0.520 498 Y N 3.072 123.314 120.300 -0.097 0.000 2.594 498 Y HA 0.478 5.084 4.550 0.093 0.000 0.342 498 Y C 1.787 177.654 175.900 -0.054 0.000 1.010 498 Y CA 0.394 58.452 58.100 -0.071 0.000 1.270 498 Y CB 0.763 39.160 38.460 -0.104 0.000 1.125 498 Y HN 0.268 nan 8.280 nan 0.000 0.513 499 T N 0.550 114.886 114.554 -0.363 0.000 2.896 499 T HA 0.109 4.497 4.350 0.063 0.000 0.263 499 T C 1.718 176.143 174.700 -0.459 0.000 1.050 499 T CA 0.948 62.870 62.100 -0.297 0.000 1.140 499 T CB -0.542 68.231 68.868 -0.158 0.000 0.877 499 T HN 1.242 nan 8.240 nan 0.000 0.457 500 G N 1.196 109.530 108.800 -0.776 0.000 2.179 500 G HA2 -0.263 3.734 3.960 0.063 0.000 0.260 500 G HA3 -0.263 3.734 3.960 0.063 0.000 0.260 500 G C 0.995 175.718 174.900 -0.295 0.000 0.977 500 G CA 0.477 45.210 45.100 -0.612 0.000 0.641 500 G HN 0.482 nan 8.290 nan 0.000 0.533 501 K N 0.389 120.649 120.400 -0.233 0.000 2.296 501 K HA 0.016 4.374 4.320 0.063 0.000 0.200 501 K C 0.729 177.267 176.600 -0.104 0.000 1.048 501 K CA 0.590 56.798 56.287 -0.132 0.000 0.966 501 K CB -0.057 32.382 32.500 -0.102 0.000 0.754 501 K HN 0.498 nan 8.250 nan 0.000 0.466 502 D N 1.796 122.128 120.400 -0.114 0.000 2.325 502 D HA 0.026 4.704 4.640 0.063 0.000 0.251 502 D C -1.646 174.652 176.300 -0.004 0.000 1.196 502 D CA -2.112 51.854 54.000 -0.057 0.000 0.866 502 D CB 1.352 42.131 40.800 -0.034 0.000 1.101 502 D HN -0.048 nan 8.370 nan 0.000 0.476 503 P HA -0.036 nan 4.420 nan 0.000 0.237 503 P C 1.175 178.602 177.300 0.212 0.000 1.178 503 P CA 0.467 63.651 63.100 0.140 0.000 0.766 503 P CB 0.377 32.167 31.700 0.151 0.000 0.876 504 L N -0.953 120.353 121.223 0.138 0.000 2.567 504 L HA 0.132 4.510 4.340 0.063 0.000 0.225 504 L C 0.534 177.502 176.870 0.162 0.000 1.119 504 L CA 0.196 55.121 54.840 0.141 0.000 0.871 504 L CB -1.044 41.063 42.059 0.080 0.000 1.036 504 L HN -0.010 nan 8.230 nan 0.000 0.459 505 D N 1.404 121.862 120.400 0.098 0.000 2.689 505 D HA -0.207 4.471 4.640 0.063 0.000 0.237 505 D C -0.017 176.301 176.300 0.029 0.000 1.148 505 D CA 0.309 54.326 54.000 0.029 0.000 0.656 505 D CB -0.857 39.899 40.800 -0.073 0.000 1.050 505 D HN 0.137 nan 8.370 nan 0.000 0.426 506 N N 1.329 120.050 118.700 0.034 0.000 3.124 506 N HA 0.105 4.883 4.740 0.063 0.000 0.284 506 N C 0.035 175.512 175.510 -0.055 0.000 1.209 506 N CA -0.201 52.834 53.050 -0.026 0.000 1.149 506 N CB 0.131 38.653 38.487 0.058 0.000 1.434 506 N HN 0.327 nan 8.380 nan 0.000 0.529 507 I N 1.724 122.248 120.570 -0.077 0.000 2.519 507 I HA 0.127 4.334 4.170 0.063 0.000 0.287 507 I C 0.146 176.156 176.117 -0.179 0.000 1.047 507 I CA -0.461 60.844 61.300 0.010 0.000 1.381 507 I CB -0.123 37.914 38.000 0.062 0.000 1.417 507 I HN 0.186 nan 8.210 nan 0.000 0.540 508 Y N 3.849 124.196 120.300 0.078 0.000 2.328 508 Y HA 0.279 4.862 4.550 0.056 0.000 0.336 508 Y C 1.085 177.032 175.900 0.079 0.000 0.960 508 Y CA -0.624 57.521 58.100 0.074 0.000 1.134 508 Y CB 1.682 40.191 38.460 0.081 0.000 1.166 508 Y HN 0.256 nan 8.280 nan 0.000 0.464 509 V N 3.178 123.185 119.914 0.156 0.000 2.720 509 V HA -0.290 3.868 4.120 0.063 0.000 0.256 509 V C 2.092 178.331 176.094 0.241 0.000 1.082 509 V CA 2.137 64.486 62.300 0.082 0.000 1.101 509 V CB -0.508 31.198 31.823 -0.194 0.000 0.693 509 V HN 0.803 nan 8.190 nan 0.000 0.479 510 K N 0.276 120.899 120.400 0.372 0.000 2.360 510 K HA -0.164 4.193 4.320 0.063 0.000 0.201 510 K C 1.346 178.066 176.600 0.201 0.000 1.046 510 K CA 1.668 58.121 56.287 0.278 0.000 0.945 510 K CB -0.295 32.289 32.500 0.140 0.000 0.750 510 K HN 0.396 nan 8.250 nan 0.000 0.464 511 N N 0.623 119.450 118.700 0.213 0.000 2.353 511 N HA 0.137 4.914 4.740 0.063 0.000 0.185 511 N C 0.294 175.938 175.510 0.223 0.000 1.098 511 N CA 0.304 53.473 53.050 0.197 0.000 0.872 511 N CB 0.158 38.763 38.487 0.197 0.000 0.970 511 N HN 0.190 nan 8.380 nan 0.000 0.467 512 L N 0.181 121.516 121.223 0.188 0.000 2.416 512 L HA 0.440 4.818 4.340 0.063 0.000 0.263 512 L C -0.626 176.367 176.870 0.205 0.000 1.065 512 L CA -1.111 53.789 54.840 0.101 0.000 0.798 512 L CB 0.819 42.889 42.059 0.018 0.000 1.267 512 L HN 0.098 nan 8.230 nan 0.000 0.467 513 Y N -1.418 118.935 120.300 0.088 0.000 2.592 513 Y HA 0.584 5.160 4.550 0.043 0.000 0.334 513 Y C -1.299 174.667 175.900 0.111 0.000 1.136 513 Y CA -1.429 56.725 58.100 0.090 0.000 1.042 513 Y CB 0.823 39.331 38.460 0.080 0.000 1.325 513 Y HN 0.104 nan 8.280 nan 0.000 0.457 514 I N 4.178 124.910 120.570 0.270 0.000 2.312 514 I HA 0.356 4.563 4.170 0.063 0.000 0.290 514 I C -0.008 176.293 176.117 0.307 0.000 1.008 514 I CA -1.086 60.365 61.300 0.252 0.000 1.226 514 I CB 0.894 39.021 38.000 0.212 0.000 1.371 514 I HN 0.639 nan 8.210 nan 0.000 0.468 515 I N 4.972 125.743 120.570 0.335 0.000 2.474 515 I HA 0.107 4.314 4.170 0.063 0.000 0.287 515 I C 0.852 177.142 176.117 0.288 0.000 1.048 515 I CA -0.706 60.782 61.300 0.312 0.000 1.383 515 I CB 0.537 38.717 38.000 0.299 0.000 1.412 515 I HN 0.456 nan 8.210 nan 0.000 0.531 516 K N 6.369 126.872 120.400 0.171 0.000 2.491 516 K HA -0.030 4.328 4.320 0.063 0.000 0.279 516 K C -0.252 176.411 176.600 0.106 0.000 1.026 516 K CA 0.730 57.058 56.287 0.068 0.000 1.070 516 K CB 0.153 32.671 32.500 0.030 0.000 0.887 516 K HN 0.668 nan 8.250 nan 0.000 0.481 517 H N 0.000 119.000 119.070 -0.117 0.000 2.539 517 H HA 0.000 4.594 4.556 0.064 0.000 0.296 517 H CA 0.000 55.969 56.048 -0.132 0.000 1.023 517 H CB 0.000 29.664 29.762 -0.164 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496