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 1b6h_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 0.000 177.633 177.584 0.082 0.000 1.274 1 A CA 0.000 52.122 52.037 0.141 0.000 0.836 1 A CB 0.000 19.135 19.000 0.224 0.000 0.831 2 D N 2.011 122.468 120.400 0.095 0.000 2.477 2 D HA 0.393 5.074 4.640 0.069 0.000 0.239 2 D C -0.282 175.981 176.300 -0.061 0.000 1.102 2 D CA 0.023 54.038 54.000 0.025 0.000 0.901 2 D CB 1.521 42.353 40.800 0.054 0.000 1.026 2 D HN 0.277 nan 8.370 nan 0.000 0.515 3 V N 3.865 123.649 119.914 -0.217 0.000 2.446 3 V HA 0.120 4.281 4.120 0.069 0.000 0.276 3 V C -1.687 174.259 176.094 -0.246 0.000 1.030 3 V CA -1.185 60.819 62.300 -0.493 0.000 1.033 3 V CB 0.086 31.602 31.823 -0.511 0.000 0.993 3 V HN 0.289 nan 8.190 nan 0.000 0.477 4 P HA 0.148 nan 4.420 nan 0.000 0.265 4 P C 0.021 177.285 177.300 -0.059 0.000 1.187 4 P CA 0.053 63.119 63.100 -0.057 0.000 0.766 4 P CB 0.389 32.096 31.700 0.011 0.000 0.820 5 A N 2.718 125.520 122.820 -0.030 0.000 2.565 5 A HA 0.394 4.755 4.320 0.069 0.000 0.237 5 A C 1.625 179.201 177.584 -0.013 0.000 1.053 5 A CA 0.782 52.805 52.037 -0.023 0.000 0.755 5 A CB -1.113 17.881 19.000 -0.010 0.000 0.980 5 A HN 0.938 nan 8.150 nan 0.000 0.506 6 G N 0.829 109.622 108.800 -0.013 0.000 2.268 6 G HA2 -0.203 3.798 3.960 0.069 0.000 0.240 6 G HA3 -0.203 3.798 3.960 0.069 0.000 0.240 6 G C 0.375 175.279 174.900 0.007 0.000 1.010 6 G CA 0.127 45.228 45.100 0.001 0.000 0.618 6 G HN 1.473 nan 8.290 nan 0.000 0.516 7 V N 1.745 121.657 119.914 -0.003 0.000 2.637 7 V HA 0.348 4.510 4.120 0.069 0.000 0.296 7 V C 0.765 176.868 176.094 0.014 0.000 1.046 7 V CA 0.451 62.763 62.300 0.019 0.000 1.066 7 V CB 1.457 33.280 31.823 -0.001 0.000 0.968 7 V HN 0.481 nan 8.190 nan 0.000 0.483 8 Q N 4.197 124.025 119.800 0.046 0.000 2.303 8 Q HA 0.509 4.890 4.340 0.069 0.000 0.257 8 Q C -0.768 175.271 176.000 0.066 0.000 0.941 8 Q CA -0.232 55.594 55.803 0.039 0.000 0.931 8 Q CB 1.463 30.224 28.738 0.037 0.000 1.215 8 Q HN 0.599 nan 8.270 nan 0.000 0.437 9 L N 1.872 123.123 121.223 0.046 0.000 2.375 9 L HA 0.481 4.862 4.340 0.069 0.000 0.271 9 L C 0.394 177.298 176.870 0.057 0.000 1.107 9 L CA -0.706 54.180 54.840 0.077 0.000 0.806 9 L CB 0.891 42.983 42.059 0.054 0.000 1.146 9 L HN 0.647 nan 8.230 nan 0.000 0.447 10 A N 1.561 124.427 122.820 0.077 0.000 2.466 10 A HA 0.038 4.399 4.320 0.069 0.000 0.238 10 A C 0.714 178.297 177.584 -0.002 0.000 1.074 10 A CA -0.304 51.740 52.037 0.012 0.000 0.774 10 A CB 0.150 19.157 19.000 0.011 0.000 1.015 10 A HN 0.848 nan 8.150 nan 0.000 0.498 11 D N 0.128 120.505 120.400 -0.038 0.000 2.117 11 D HA -0.049 4.632 4.640 0.069 0.000 0.198 11 D C 0.608 176.898 176.300 -0.017 0.000 0.982 11 D CA 1.481 55.464 54.000 -0.029 0.000 0.828 11 D CB 0.064 40.837 40.800 -0.045 0.000 0.967 11 D HN 0.565 nan 8.370 nan 0.000 0.464 12 K N 1.438 121.820 120.400 -0.031 0.000 2.264 12 K HA 0.096 4.457 4.320 0.069 0.000 0.277 12 K C -0.427 176.180 176.600 0.012 0.000 1.067 12 K CA -0.271 56.005 56.287 -0.017 0.000 0.900 12 K CB 0.618 33.093 32.500 -0.041 0.000 1.124 12 K HN -0.218 nan 8.250 nan 0.000 0.469 13 Q N 3.319 123.139 119.800 0.034 0.000 2.771 13 Q HA 0.110 4.491 4.340 0.069 0.000 0.239 13 Q C -0.639 175.395 176.000 0.057 0.000 1.231 13 Q CA -0.125 55.716 55.803 0.064 0.000 1.056 13 Q CB 0.958 29.744 28.738 0.081 0.000 1.284 13 Q HN 0.730 nan 8.270 nan 0.000 0.558 14 T N -1.538 113.040 114.554 0.041 0.000 2.907 14 T HA 0.783 5.174 4.350 0.069 0.000 0.292 14 T C -0.667 174.040 174.700 0.011 0.000 1.043 14 T CA -0.889 61.221 62.100 0.017 0.000 1.003 14 T CB 1.925 70.794 68.868 0.002 0.000 1.084 14 T HN 0.234 nan 8.240 nan 0.000 0.483 15 L N 1.509 122.707 121.223 -0.042 0.000 2.434 15 L HA 0.818 5.199 4.340 0.069 0.000 0.260 15 L C -1.634 175.154 176.870 -0.137 0.000 0.983 15 L CA -0.715 54.082 54.840 -0.072 0.000 0.820 15 L CB 2.422 44.410 42.059 -0.120 0.000 1.361 15 L HN 0.719 nan 8.230 nan 0.000 0.410 16 V N 4.595 124.435 119.914 -0.123 0.000 2.483 16 V HA 0.623 4.784 4.120 0.069 0.000 0.297 16 V C -0.352 175.631 176.094 -0.185 0.000 1.027 16 V CA -0.571 61.638 62.300 -0.152 0.000 0.855 16 V CB 1.661 33.441 31.823 -0.072 0.000 0.995 16 V HN 0.705 nan 8.190 nan 0.000 0.424 17 R N 2.800 123.117 120.500 -0.306 0.000 2.562 17 R HA 0.470 4.851 4.340 0.069 0.000 0.298 17 R C -0.592 175.622 176.300 -0.142 0.000 0.961 17 R CA -0.852 55.085 56.100 -0.271 0.000 0.881 17 R CB 1.931 31.927 30.300 -0.506 0.000 1.159 17 R HN 0.689 nan 8.270 nan 0.000 0.450 18 N N 0.662 119.341 118.700 -0.036 0.000 2.524 18 N HA 0.039 4.821 4.740 0.069 0.000 0.283 18 N C -0.109 175.441 175.510 0.065 0.000 1.142 18 N CA -0.042 53.014 53.050 0.010 0.000 0.984 18 N CB 0.870 39.376 38.487 0.032 0.000 1.155 18 N HN 0.485 nan 8.380 nan 0.000 0.467 19 N N 0.907 119.583 118.700 -0.041 0.000 2.241 19 N HA 0.226 5.008 4.740 0.069 0.000 0.238 19 N C 0.651 175.722 175.510 -0.731 0.000 1.244 19 N CA 0.559 53.523 53.050 -0.143 0.000 0.880 19 N CB 0.198 38.685 38.487 -0.000 0.000 1.179 19 N HN 0.753 nan 8.380 nan 0.000 0.513 20 G N -0.082 108.216 108.800 -0.838 0.000 2.435 20 G HA2 -0.306 3.695 3.960 0.069 0.000 0.245 20 G HA3 -0.306 3.695 3.960 0.069 0.000 0.245 20 G C 0.101 174.645 174.900 -0.593 0.000 1.073 20 G CA 0.832 45.299 45.100 -1.055 0.000 0.638 20 G HN 1.131 nan 8.290 nan 0.000 0.521 21 S N -1.183 114.228 115.700 -0.483 0.000 2.615 21 S HA 0.553 5.064 4.470 0.069 0.000 0.268 21 S C -1.015 173.511 174.600 -0.124 0.000 1.146 21 S CA 0.173 58.214 58.200 -0.265 0.000 0.818 21 S CB 2.061 65.045 63.200 -0.359 0.000 1.111 21 S HN 1.136 nan 8.310 nan 0.000 0.465 22 E N 1.347 121.561 120.200 0.024 0.000 2.360 22 E HA 0.423 4.815 4.350 0.069 0.000 0.269 22 E C 0.314 177.014 176.600 0.167 0.000 1.022 22 E CA -0.509 55.955 56.400 0.106 0.000 0.887 22 E CB 0.822 30.608 29.700 0.145 0.000 0.990 22 E HN 0.951 nan 8.360 nan 0.000 0.426 23 V N 2.607 122.598 119.914 0.128 0.000 2.963 23 V HA 0.008 4.169 4.120 0.069 0.000 0.306 23 V C 1.141 177.362 176.094 0.212 0.000 1.077 23 V CA -0.041 62.336 62.300 0.128 0.000 1.124 23 V CB 0.969 32.754 31.823 -0.063 0.000 0.987 23 V HN 0.875 nan 8.190 nan 0.000 0.487 24 Q N 1.541 121.461 119.800 0.199 0.000 2.084 24 Q HA 0.032 4.413 4.340 0.069 0.000 0.202 24 Q C 1.089 177.175 176.000 0.143 0.000 0.978 24 Q CA 1.854 57.740 55.803 0.138 0.000 0.844 24 Q CB 0.130 28.915 28.738 0.078 0.000 0.898 24 Q HN 0.985 nan 8.270 nan 0.000 0.426 25 S N -2.590 113.171 115.700 0.101 0.000 2.615 25 S HA 0.301 4.813 4.470 0.069 0.000 0.268 25 S C -0.906 173.642 174.600 -0.087 0.000 1.146 25 S CA -0.781 57.475 58.200 0.094 0.000 0.818 25 S CB 0.276 63.509 63.200 0.054 0.000 1.111 25 S HN 0.177 nan 8.310 nan 0.000 0.465 26 L N 1.265 122.381 121.223 -0.178 0.000 2.693 26 L HA 0.381 4.762 4.340 0.069 0.000 0.235 26 L C 0.128 176.877 176.870 -0.201 0.000 1.127 26 L CA -0.051 54.631 54.840 -0.264 0.000 0.914 26 L CB 0.226 42.039 42.059 -0.411 0.000 1.193 26 L HN 0.570 nan 8.230 nan 0.000 0.502 27 D N 1.541 121.824 120.400 -0.195 0.000 2.325 27 D HA 0.115 4.796 4.640 0.069 0.000 0.251 27 D C -1.663 174.576 176.300 -0.102 0.000 1.196 27 D CA -1.976 51.961 54.000 -0.105 0.000 0.866 27 D CB 1.910 42.756 40.800 0.077 0.000 1.101 27 D HN -0.129 nan 8.370 nan 0.000 0.476 28 P HA -0.135 nan 4.420 nan 0.000 0.218 28 P C 0.390 177.636 177.300 -0.089 0.000 1.146 28 P CA 1.378 64.320 63.100 -0.262 0.000 0.813 28 P CB 0.040 31.474 31.700 -0.444 0.000 0.778 29 H N -1.804 117.259 119.070 -0.012 0.000 2.539 29 H HA 0.175 4.772 4.556 0.068 0.000 0.269 29 H C 1.005 176.352 175.328 0.033 0.000 0.980 29 H CA 0.018 56.070 56.048 0.007 0.000 1.152 29 H CB 0.324 30.092 29.762 0.011 0.000 1.407 29 H HN -0.032 nan 8.280 nan 0.000 0.564 30 K N 1.128 121.608 120.400 0.132 0.000 2.414 30 K HA 0.208 4.569 4.320 0.069 0.000 0.204 30 K C 0.119 176.760 176.600 0.068 0.000 1.026 30 K CA 0.042 56.383 56.287 0.090 0.000 1.108 30 K CB 0.782 33.331 32.500 0.081 0.000 0.855 30 K HN 0.392 nan 8.250 nan 0.000 0.517 31 I N -1.788 118.831 120.570 0.081 0.000 2.797 31 I HA 0.351 4.562 4.170 0.069 0.000 0.307 31 I C 0.513 176.748 176.117 0.196 0.000 1.033 31 I CA -0.637 60.713 61.300 0.083 0.000 1.071 31 I CB 1.927 39.934 38.000 0.012 0.000 1.255 31 I HN -0.011 nan 8.210 nan 0.000 0.445 32 E N 2.383 122.711 120.200 0.213 0.000 2.703 32 E HA 0.301 4.692 4.350 0.069 0.000 0.214 32 E C 0.175 176.956 176.600 0.302 0.000 0.944 32 E CA -0.366 56.276 56.400 0.402 0.000 1.299 32 E CB 0.799 30.690 29.700 0.318 0.000 1.189 32 E HN 0.847 nan 8.360 nan 0.000 0.597 33 G N 0.581 109.531 108.800 0.251 0.000 2.597 33 G HA2 0.397 4.398 3.960 0.069 0.000 0.317 33 G HA3 0.397 4.398 3.960 0.069 0.000 0.317 33 G C 0.798 175.802 174.900 0.173 0.000 1.230 33 G CA -0.451 44.862 45.100 0.354 0.000 0.996 33 G HN -0.048 nan 8.290 nan 0.000 0.490 34 V N 1.103 121.104 119.914 0.145 0.000 2.295 34 V HA -0.080 4.081 4.120 0.069 0.000 0.246 34 V C -0.177 175.918 176.094 0.003 0.000 1.049 34 V CA 2.131 64.452 62.300 0.035 0.000 1.024 34 V CB -0.873 30.985 31.823 0.058 0.000 0.648 34 V HN 0.524 nan 8.190 nan 0.000 0.447 35 P HA -0.107 nan 4.420 nan 0.000 0.217 35 P C 1.426 178.638 177.300 -0.147 0.000 1.150 35 P CA 1.197 64.200 63.100 -0.162 0.000 0.832 35 P CB 0.053 31.538 31.700 -0.358 0.000 0.787 36 E N -0.722 119.455 120.200 -0.039 0.000 2.072 36 E HA -0.090 4.302 4.350 0.069 0.000 0.191 36 E C 2.119 178.619 176.600 -0.167 0.000 0.985 36 E CA 1.366 57.715 56.400 -0.084 0.000 0.801 36 E CB -1.016 28.694 29.700 0.015 0.000 0.750 36 E HN 0.122 nan 8.360 nan 0.000 0.452 37 S N 0.830 116.440 115.700 -0.150 0.000 2.423 37 S HA -0.068 4.443 4.470 0.069 0.000 0.231 37 S C 1.534 175.993 174.600 -0.235 0.000 1.014 37 S CA 0.592 58.663 58.200 -0.216 0.000 0.965 37 S CB -0.223 62.838 63.200 -0.232 0.000 0.785 37 S HN 0.236 nan 8.310 nan 0.000 0.495 38 N N 1.483 120.048 118.700 -0.225 0.000 2.120 38 N HA -0.055 4.726 4.740 0.069 0.000 0.188 38 N C 1.681 176.926 175.510 -0.441 0.000 1.024 38 N CA 1.034 53.932 53.050 -0.255 0.000 0.852 38 N CB -0.562 37.824 38.487 -0.167 0.000 1.003 38 N HN 0.235 nan 8.380 nan 0.000 0.424 39 V N 0.066 119.624 119.914 -0.593 0.000 2.407 39 V HA -0.084 4.078 4.120 0.069 0.000 0.245 39 V C 2.424 178.308 176.094 -0.351 0.000 1.041 39 V CA 1.305 63.185 62.300 -0.700 0.000 1.040 39 V CB -0.657 30.736 31.823 -0.716 0.000 0.671 39 V HN 0.277 nan 8.190 nan 0.000 0.455 40 S N -0.199 115.359 115.700 -0.237 0.000 2.383 40 S HA -0.240 4.271 4.470 0.069 0.000 0.229 40 S C 2.181 176.754 174.600 -0.045 0.000 1.030 40 S CA 1.665 59.829 58.200 -0.060 0.000 1.002 40 S CB -0.270 62.882 63.200 -0.079 0.000 0.829 40 S HN 0.537 nan 8.310 nan 0.000 0.467 41 R N 0.427 120.837 120.500 -0.151 0.000 2.120 41 R HA -0.057 4.324 4.340 0.069 0.000 0.234 41 R C 1.545 177.837 176.300 -0.013 0.000 1.123 41 R CA 1.496 57.511 56.100 -0.142 0.000 0.975 41 R CB -0.316 29.678 30.300 -0.511 0.000 0.866 41 R HN 0.429 nan 8.270 nan 0.000 0.446 42 D N 0.156 120.525 120.400 -0.051 0.000 2.234 42 D HA -0.029 4.653 4.640 0.069 0.000 0.205 42 D C 1.816 178.114 176.300 -0.003 0.000 0.962 42 D CA 0.858 54.897 54.000 0.065 0.000 0.855 42 D CB 0.228 41.029 40.800 0.003 0.000 0.951 42 D HN 0.210 nan 8.370 nan 0.000 0.500 43 L N -1.372 119.765 121.223 -0.142 0.000 2.316 43 L HA 0.157 4.538 4.340 0.069 0.000 0.207 43 L C 0.120 176.641 176.870 -0.581 0.000 1.070 43 L CA 0.380 54.981 54.840 -0.399 0.000 0.820 43 L CB 0.205 41.888 42.059 -0.627 0.000 0.992 43 L HN -0.160 nan 8.230 nan 0.000 0.466 44 F N -0.034 119.937 119.950 0.034 0.000 2.493 44 F HA 0.387 4.954 4.527 0.068 0.000 0.329 44 F C 0.075 175.915 175.800 0.066 0.000 1.126 44 F CA -0.678 57.357 58.000 0.058 0.000 0.937 44 F CB 1.717 40.765 39.000 0.079 0.000 1.146 44 F HN -0.174 nan 8.300 nan 0.000 0.442 45 E N 2.092 122.426 120.200 0.224 0.000 2.176 45 E HA 0.610 5.001 4.350 0.069 0.000 0.267 45 E C -0.151 176.624 176.600 0.292 0.000 0.893 45 E CA -0.571 55.981 56.400 0.253 0.000 0.761 45 E CB 1.570 31.441 29.700 0.284 0.000 1.133 45 E HN 0.808 nan 8.360 nan 0.000 0.409 46 G N 2.906 111.895 108.800 0.316 0.000 2.543 46 G HA2 0.155 4.156 3.960 0.069 0.000 0.267 46 G HA3 0.155 4.156 3.960 0.069 0.000 0.267 46 G C 0.849 175.908 174.900 0.265 0.000 1.406 46 G CA -0.498 44.848 45.100 0.410 0.000 1.048 46 G HN 0.595 nan 8.290 nan 0.000 0.548 47 L N -1.295 119.942 121.223 0.023 0.000 2.017 47 L HA 0.049 4.431 4.340 0.069 0.000 0.208 47 L C 0.606 177.412 176.870 -0.107 0.000 1.073 47 L CA 0.786 55.454 54.840 -0.288 0.000 0.745 47 L CB -0.476 41.174 42.059 -0.682 0.000 0.894 47 L HN 0.112 nan 8.230 nan 0.000 0.432 48 L N -1.289 119.890 121.223 -0.073 0.000 2.301 48 L HA 0.561 4.942 4.340 0.069 0.000 0.264 48 L C -0.286 176.661 176.870 0.129 0.000 1.016 48 L CA -0.506 54.337 54.840 0.006 0.000 0.821 48 L CB 1.962 43.964 42.059 -0.094 0.000 1.346 48 L HN -0.035 nan 8.230 nan 0.000 0.429 49 I N -3.302 117.370 120.570 0.169 0.000 3.074 49 I HA 0.672 4.883 4.170 0.069 0.000 0.310 49 I C -0.637 175.589 176.117 0.183 0.000 1.153 49 I CA -0.715 60.689 61.300 0.174 0.000 0.993 49 I CB 2.276 40.252 38.000 -0.040 0.000 1.237 49 I HN 0.343 nan 8.210 nan 0.000 0.443 50 S N 1.998 117.857 115.700 0.264 0.000 2.562 50 S HA 0.245 4.756 4.470 0.069 0.000 0.275 50 S C -0.456 174.235 174.600 0.152 0.000 1.281 50 S CA -0.633 57.723 58.200 0.260 0.000 1.045 50 S CB 0.855 64.253 63.200 0.330 0.000 0.962 50 S HN 0.797 nan 8.310 nan 0.000 0.503 51 D N 0.776 121.274 120.400 0.165 0.000 2.398 51 D HA 0.024 4.705 4.640 0.069 0.000 0.264 51 D C 1.588 177.965 176.300 0.128 0.000 1.263 51 D CA -0.586 53.494 54.000 0.132 0.000 1.037 51 D CB -0.332 40.585 40.800 0.196 0.000 1.101 51 D HN 0.269 nan 8.370 nan 0.000 0.551 52 V N -3.111 116.873 119.914 0.116 0.000 3.078 52 V HA -0.057 4.104 4.120 0.069 0.000 0.265 52 V C 1.298 177.411 176.094 0.032 0.000 1.122 52 V CA 1.395 63.757 62.300 0.102 0.000 1.141 52 V CB -1.192 30.692 31.823 0.101 0.000 0.735 52 V HN 0.526 nan 8.190 nan 0.000 0.498 53 E N 0.413 120.599 120.200 -0.023 0.000 2.498 53 E HA 0.400 4.792 4.350 0.069 0.000 0.203 53 E C 1.594 178.032 176.600 -0.270 0.000 1.013 53 E CA 0.457 56.763 56.400 -0.156 0.000 0.927 53 E CB 0.809 30.406 29.700 -0.172 0.000 1.012 53 E HN 0.730 nan 8.360 nan 0.000 0.482 54 G N 1.649 110.371 108.800 -0.130 0.000 2.176 54 G HA2 -0.244 3.757 3.960 0.069 0.000 0.232 54 G HA3 -0.244 3.757 3.960 0.069 0.000 0.232 54 G C -0.114 174.775 174.900 -0.018 0.000 0.986 54 G CA -0.133 44.934 45.100 -0.055 0.000 0.643 54 G HN 0.422 nan 8.290 nan 0.000 0.522 55 H N 1.764 120.932 119.070 0.162 0.000 2.764 55 H HA 0.413 4.991 4.556 0.037 0.000 0.341 55 H C -2.175 173.290 175.328 0.228 0.000 1.072 55 H CA -1.268 54.896 56.048 0.192 0.000 1.444 55 H CB 0.726 30.597 29.762 0.181 0.000 1.458 55 H HN 0.128 nan 8.280 nan 0.000 0.572 56 P HA 0.020 nan 4.420 nan 0.000 0.264 56 P C -0.753 176.796 177.300 0.416 0.000 1.193 56 P CA 0.447 63.772 63.100 0.376 0.000 0.763 56 P CB 0.876 32.857 31.700 0.469 0.000 0.810 57 S N 3.649 119.569 115.700 0.367 0.000 2.625 57 S HA 0.555 5.066 4.470 0.069 0.000 0.271 57 S C -2.900 171.958 174.600 0.430 0.000 1.161 57 S CA -1.537 56.910 58.200 0.411 0.000 0.820 57 S CB 1.126 64.505 63.200 0.299 0.000 1.137 57 S HN 0.184 nan 8.310 nan 0.000 0.470 58 P HA 0.233 nan 4.420 nan 0.000 0.264 58 P C 0.059 177.563 177.300 0.340 0.000 1.193 58 P CA 0.359 63.745 63.100 0.476 0.000 0.763 58 P CB 0.287 32.188 31.700 0.335 0.000 0.810 59 G N 1.538 110.501 108.800 0.272 0.000 3.306 59 G HA2 0.126 4.128 3.960 0.069 0.000 0.202 59 G HA3 0.126 4.128 3.960 0.069 0.000 0.202 59 G C 1.025 176.039 174.900 0.191 0.000 1.673 59 G CA -0.269 45.011 45.100 0.300 0.000 0.776 59 G HN 0.258 nan 8.290 nan 0.000 0.740 60 V N 1.912 121.915 119.914 0.149 0.000 2.427 60 V HA 0.134 4.295 4.120 0.069 0.000 0.248 60 V C 1.916 177.970 176.094 -0.067 0.000 1.051 60 V CA 1.392 63.699 62.300 0.012 0.000 1.048 60 V CB -0.850 31.057 31.823 0.139 0.000 0.666 60 V HN 0.611 nan 8.190 nan 0.000 0.456 61 A N 0.990 123.817 122.820 0.012 0.000 2.404 61 A HA 0.233 4.594 4.320 0.069 0.000 0.273 61 A C 1.277 179.023 177.584 0.269 0.000 1.144 61 A CA -0.021 52.123 52.037 0.178 0.000 0.806 61 A CB 0.040 19.255 19.000 0.359 0.000 1.080 61 A HN 0.666 nan 8.150 nan 0.000 0.509 62 E N 2.702 122.992 120.200 0.151 0.000 2.318 62 E HA 0.042 4.434 4.350 0.069 0.000 0.193 62 E C 0.427 177.081 176.600 0.089 0.000 0.998 62 E CA 0.770 57.205 56.400 0.060 0.000 0.859 62 E CB -0.058 29.582 29.700 -0.099 0.000 0.812 62 E HN 0.702 nan 8.360 nan 0.000 0.492 63 K N -0.301 120.218 120.400 0.199 0.000 2.575 63 K HA 0.449 4.811 4.320 0.069 0.000 0.279 63 K C -2.029 174.770 176.600 0.332 0.000 0.969 63 K CA -1.045 55.221 56.287 -0.034 0.000 0.868 63 K CB 1.322 33.740 32.500 -0.137 0.000 1.457 63 K HN 0.149 nan 8.250 nan 0.000 0.426 64 W N 0.173 121.550 121.300 0.128 0.000 3.137 64 W HA 0.655 5.352 4.660 0.061 0.000 0.324 64 W C -1.555 174.925 176.519 -0.065 0.000 1.253 64 W CA -0.587 56.739 57.345 -0.030 0.000 1.183 64 W CB 1.038 30.386 29.460 -0.188 0.000 1.424 64 W HN 0.644 nan 8.180 nan 0.000 0.566 65 E N 1.160 121.383 120.200 0.037 0.000 2.410 65 E HA 0.525 4.916 4.350 0.069 0.000 0.269 65 E C -1.220 175.228 176.600 -0.253 0.000 0.937 65 E CA -1.169 55.177 56.400 -0.089 0.000 0.793 65 E CB 2.073 31.715 29.700 -0.096 0.000 1.314 65 E HN 0.523 nan 8.360 nan 0.000 0.447 66 N N -0.742 117.688 118.700 -0.448 0.000 2.284 66 N HA 0.377 5.158 4.740 0.069 0.000 0.289 66 N C -1.483 173.672 175.510 -0.591 0.000 1.179 66 N CA -1.057 51.494 53.050 -0.831 0.000 0.774 66 N CB 1.842 39.303 38.487 -1.709 0.000 1.548 66 N HN 0.222 nan 8.380 nan 0.000 0.473 67 K N 1.027 121.102 120.400 -0.541 0.000 2.367 67 K HA 0.184 4.545 4.320 0.069 0.000 0.263 67 K C -0.877 175.480 176.600 -0.404 0.000 1.000 67 K CA -0.339 55.714 56.287 -0.390 0.000 0.891 67 K CB 0.346 32.693 32.500 -0.255 0.000 1.117 67 K HN 0.737 nan 8.250 nan 0.000 0.443 68 D N 4.189 124.305 120.400 -0.473 0.000 2.882 68 D HA -0.237 4.444 4.640 0.069 0.000 0.229 68 D C -0.231 175.871 176.300 -0.331 0.000 1.167 68 D CA 1.454 55.193 54.000 -0.434 0.000 0.759 68 D CB -1.530 39.153 40.800 -0.195 0.000 1.088 68 D HN 0.845 nan 8.370 nan 0.000 0.425 69 F N -2.428 117.400 119.950 -0.204 0.000 3.006 69 F HA -0.343 4.224 4.527 0.068 0.000 0.289 69 F C 1.655 177.528 175.800 0.121 0.000 0.772 69 F CA 1.468 59.442 58.000 -0.044 0.000 1.162 69 F CB -1.627 37.477 39.000 0.174 0.000 1.382 69 F HN 0.170 nan 8.300 nan 0.000 0.406 70 K N -0.718 119.697 120.400 0.024 0.000 2.424 70 K HA 0.347 4.708 4.320 0.069 0.000 0.198 70 K C 0.149 176.774 176.600 0.042 0.000 1.190 70 K CA 0.547 56.883 56.287 0.083 0.000 0.935 70 K CB 1.243 33.751 32.500 0.014 0.000 1.087 70 K HN 0.022 nan 8.250 nan 0.000 0.524 71 V N 1.881 121.707 119.914 -0.146 0.000 2.350 71 V HA 0.265 4.426 4.120 0.069 0.000 0.285 71 V C -1.484 174.470 176.094 -0.234 0.000 1.014 71 V CA -0.727 61.513 62.300 -0.101 0.000 0.831 71 V CB 0.669 32.424 31.823 -0.113 0.000 1.000 71 V HN 0.166 nan 8.190 nan 0.000 0.433 72 W N 2.529 123.780 121.300 -0.081 0.000 2.429 72 W HA 0.636 5.336 4.660 0.067 0.000 0.314 72 W C 0.273 176.620 176.519 -0.287 0.000 1.062 72 W CA -0.421 56.849 57.345 -0.126 0.000 1.211 72 W CB 1.843 31.391 29.460 0.147 0.000 1.305 72 W HN 0.363 nan 8.180 nan 0.000 0.476 73 T N 4.424 118.798 114.554 -0.300 0.000 2.772 73 T HA 0.477 4.868 4.350 0.069 0.000 0.288 73 T C -1.048 173.316 174.700 -0.560 0.000 0.994 73 T CA -0.504 61.394 62.100 -0.336 0.000 0.951 73 T CB 0.214 68.930 68.868 -0.254 0.000 0.933 73 T HN -0.017 nan 8.240 nan 0.000 0.447 74 F N 2.877 122.773 119.950 -0.089 0.000 2.411 74 F HA 0.329 4.896 4.527 0.066 0.000 0.352 74 F C 0.976 176.664 175.800 -0.186 0.000 1.123 74 F CA -1.022 56.974 58.000 -0.007 0.000 1.044 74 F CB 1.028 40.070 39.000 0.070 0.000 1.135 74 F HN 0.495 nan 8.300 nan 0.000 0.461 75 H N 5.461 124.697 119.070 0.277 0.000 2.761 75 H HA 0.307 4.903 4.556 0.068 0.000 0.284 75 H C -0.195 175.213 175.328 0.135 0.000 1.105 75 H CA -0.344 55.799 56.048 0.159 0.000 1.352 75 H CB 0.753 30.561 29.762 0.078 0.000 1.423 75 H HN 0.457 nan 8.280 nan 0.000 0.464 76 L N 4.101 125.437 121.223 0.188 0.000 2.331 76 L HA 0.247 4.629 4.340 0.069 0.000 0.278 76 L C 1.205 178.085 176.870 0.017 0.000 1.106 76 L CA -0.690 54.209 54.840 0.099 0.000 0.824 76 L CB 0.668 42.800 42.059 0.122 0.000 1.142 76 L HN 0.489 nan 8.230 nan 0.000 0.443 77 R N 2.072 122.501 120.500 -0.118 0.000 2.585 77 R HA -0.005 4.376 4.340 0.069 0.000 0.275 77 R C 0.215 176.384 176.300 -0.219 0.000 1.018 77 R CA -0.137 55.824 56.100 -0.233 0.000 1.072 77 R CB 0.583 30.608 30.300 -0.459 0.000 0.953 77 R HN 0.666 nan 8.270 nan 0.000 0.419 78 E N 1.254 121.280 120.200 -0.290 0.000 2.268 78 E HA -0.163 4.228 4.350 0.069 0.000 0.195 78 E C 0.539 177.055 176.600 -0.139 0.000 0.995 78 E CA 1.185 57.362 56.400 -0.372 0.000 0.836 78 E CB 0.045 29.518 29.700 -0.379 0.000 0.763 78 E HN 0.747 nan 8.360 nan 0.000 0.491 79 N N 0.398 119.037 118.700 -0.100 0.000 2.251 79 N HA 0.070 4.851 4.740 0.069 0.000 0.217 79 N C -0.377 175.155 175.510 0.036 0.000 1.124 79 N CA -0.068 52.979 53.050 -0.006 0.000 0.843 79 N CB 0.272 38.767 38.487 0.013 0.000 1.024 79 N HN -0.102 nan 8.380 nan 0.000 0.501 80 A N 0.760 123.570 122.820 -0.016 0.000 2.454 80 A HA 0.415 4.776 4.320 0.069 0.000 0.260 80 A C 0.038 177.661 177.584 0.066 0.000 1.106 80 A CA -0.030 52.024 52.037 0.029 0.000 0.780 80 A CB 0.291 19.266 19.000 -0.043 0.000 1.044 80 A HN 0.353 nan 8.150 nan 0.000 0.498 81 K N 1.314 121.765 120.400 0.086 0.000 2.482 81 K HA 0.413 4.774 4.320 0.069 0.000 0.257 81 K C -1.274 175.350 176.600 0.039 0.000 0.969 81 K CA -0.512 55.829 56.287 0.090 0.000 0.842 81 K CB 1.632 34.221 32.500 0.149 0.000 1.359 81 K HN 0.767 nan 8.250 nan 0.000 0.441 82 W N 0.432 121.818 121.300 0.143 0.000 2.141 82 W HA 0.027 4.730 4.660 0.072 0.000 0.354 82 W C 1.693 178.274 176.519 0.104 0.000 1.297 82 W CA -0.062 57.358 57.345 0.125 0.000 1.380 82 W CB 0.602 30.125 29.460 0.106 0.000 1.168 82 W HN 0.719 nan 8.180 nan 0.000 0.639 83 S N -0.521 115.402 115.700 0.371 0.000 2.474 83 S HA -0.216 4.296 4.470 0.069 0.000 0.235 83 S C 0.941 175.649 174.600 0.180 0.000 0.997 83 S CA 1.336 59.663 58.200 0.212 0.000 0.949 83 S CB -0.491 62.805 63.200 0.159 0.000 0.766 83 S HN 0.610 nan 8.310 nan 0.000 0.517 84 D N 0.300 120.825 120.400 0.209 0.000 2.328 84 D HA 0.279 4.960 4.640 0.069 0.000 0.226 84 D C 1.389 177.776 176.300 0.146 0.000 1.066 84 D CA 0.494 54.581 54.000 0.145 0.000 0.861 84 D CB -0.583 40.285 40.800 0.113 0.000 0.912 84 D HN 0.514 nan 8.370 nan 0.000 0.521 85 G N 0.129 109.036 108.800 0.177 0.000 2.199 85 G HA2 -0.281 3.721 3.960 0.069 0.000 0.254 85 G HA3 -0.281 3.721 3.960 0.069 0.000 0.254 85 G C 0.535 175.543 174.900 0.180 0.000 0.982 85 G CA 0.499 45.692 45.100 0.156 0.000 0.632 85 G HN 0.810 nan 8.290 nan 0.000 0.529 86 T N -0.153 114.539 114.554 0.231 0.000 2.904 86 T HA 0.613 5.004 4.350 0.069 0.000 0.290 86 T C -2.358 172.548 174.700 0.344 0.000 1.018 86 T CA -1.452 60.794 62.100 0.244 0.000 1.075 86 T CB 2.186 71.169 68.868 0.191 0.000 0.986 86 T HN 0.076 nan 8.240 nan 0.000 0.523 87 P HA 0.253 nan 4.420 nan 0.000 0.271 87 P C -0.675 176.817 177.300 0.321 0.000 1.216 87 P CA -0.519 62.733 63.100 0.254 0.000 0.776 87 P CB 0.435 32.269 31.700 0.224 0.000 0.881 88 V N 3.317 123.316 119.914 0.141 0.000 2.461 88 V HA 0.374 4.535 4.120 0.069 0.000 0.275 88 V C 0.851 177.051 176.094 0.176 0.000 1.047 88 V CA 0.126 62.456 62.300 0.049 0.000 0.955 88 V CB 0.675 32.363 31.823 -0.225 0.000 0.988 88 V HN 0.727 nan 8.190 nan 0.000 0.471 89 T N 1.811 116.495 114.554 0.216 0.000 2.910 89 T HA 0.678 5.069 4.350 0.069 0.000 0.287 89 T C 1.094 175.871 174.700 0.128 0.000 1.050 89 T CA -0.056 62.123 62.100 0.132 0.000 1.011 89 T CB 1.986 70.936 68.868 0.136 0.000 1.195 89 T HN 0.600 nan 8.240 nan 0.000 0.540 90 A N -0.043 122.758 122.820 -0.032 0.000 2.019 90 A HA -0.080 4.281 4.320 0.069 0.000 0.219 90 A C 2.108 179.653 177.584 -0.066 0.000 1.164 90 A CA 1.295 53.303 52.037 -0.047 0.000 0.644 90 A CB -1.302 17.663 19.000 -0.059 0.000 0.805 90 A HN 0.949 nan 8.150 nan 0.000 0.449 91 H N 0.239 119.385 119.070 0.127 0.000 2.421 91 H HA -0.103 4.495 4.556 0.069 0.000 0.298 91 H C 1.319 176.716 175.328 0.115 0.000 1.087 91 H CA 1.466 57.585 56.048 0.118 0.000 1.330 91 H CB -0.256 29.550 29.762 0.075 0.000 1.388 91 H HN 0.485 nan 8.280 nan 0.000 0.526 92 D N 0.436 120.950 120.400 0.190 0.000 2.144 92 D HA -0.118 4.563 4.640 0.069 0.000 0.199 92 D C 2.040 178.311 176.300 -0.048 0.000 0.984 92 D CA 0.769 54.842 54.000 0.120 0.000 0.834 92 D CB -0.407 40.499 40.800 0.177 0.000 0.955 92 D HN 0.271 nan 8.370 nan 0.000 0.465 93 F N 0.694 120.505 119.950 -0.231 0.000 2.186 93 F HA -0.134 4.433 4.527 0.068 0.000 0.299 93 F C 2.525 178.068 175.800 -0.428 0.000 1.090 93 F CA 0.389 57.984 58.000 -0.675 0.000 1.307 93 F CB -0.507 37.405 39.000 -1.814 0.000 1.019 93 F HN -0.190 nan 8.300 nan 0.000 0.489 94 V N -0.551 119.411 119.914 0.080 0.000 2.255 94 V HA -0.351 3.810 4.120 0.069 0.000 0.247 94 V C 2.085 178.333 176.094 0.256 0.000 1.051 94 V CA 2.182 64.660 62.300 0.296 0.000 1.018 94 V CB -0.894 31.120 31.823 0.318 0.000 0.641 94 V HN 0.427 nan 8.190 nan 0.000 0.445 95 Y N 1.273 121.646 120.300 0.122 0.000 2.128 95 Y HA -0.258 4.333 4.550 0.068 0.000 0.284 95 Y C 2.723 178.705 175.900 0.137 0.000 1.154 95 Y CA 1.992 60.152 58.100 0.100 0.000 1.149 95 Y CB -0.469 38.019 38.460 0.046 0.000 0.976 95 Y HN 0.212 nan 8.280 nan 0.000 0.505 96 S N -0.328 115.444 115.700 0.120 0.000 2.356 96 S HA -0.210 4.301 4.470 0.069 0.000 0.223 96 S C 1.526 176.293 174.600 0.278 0.000 1.032 96 S CA 1.563 59.866 58.200 0.172 0.000 1.005 96 S CB -0.705 62.640 63.200 0.242 0.000 0.867 96 S HN 0.662 nan 8.310 nan 0.000 0.449 97 W N 2.162 123.495 121.300 0.054 0.000 2.402 97 W HA 0.044 4.744 4.660 0.066 0.000 0.286 97 W C 2.424 178.917 176.519 -0.044 0.000 1.221 97 W CA 0.007 57.388 57.345 0.060 0.000 1.257 97 W CB -1.104 28.496 29.460 0.234 0.000 1.120 97 W HN 0.427 nan 8.180 nan 0.000 0.551 98 Q N -0.194 119.699 119.800 0.155 0.000 2.119 98 Q HA -0.169 4.212 4.340 0.069 0.000 0.201 98 Q C 2.288 178.213 176.000 -0.124 0.000 0.972 98 Q CA 1.566 57.383 55.803 0.024 0.000 0.847 98 Q CB -0.397 28.355 28.738 0.023 0.000 0.903 98 Q HN 0.263 nan 8.270 nan 0.000 0.433 99 R N 0.593 120.924 120.500 -0.280 0.000 2.081 99 R HA -0.163 4.218 4.340 0.069 0.000 0.235 99 R C 2.184 178.236 176.300 -0.413 0.000 1.131 99 R CA 0.930 56.822 56.100 -0.345 0.000 0.960 99 R CB -0.221 29.822 30.300 -0.428 0.000 0.856 99 R HN 0.221 nan 8.270 nan 0.000 0.436 100 L N 0.691 121.529 121.223 -0.642 0.000 2.046 100 L HA -0.058 4.324 4.340 0.069 0.000 0.208 100 L C 2.199 178.912 176.870 -0.261 0.000 1.077 100 L CA 2.215 56.685 54.840 -0.617 0.000 0.747 100 L CB -0.643 41.090 42.059 -0.543 0.000 0.896 100 L HN 0.258 nan 8.230 nan 0.000 0.432 101 A N -1.367 121.359 122.820 -0.157 0.000 1.968 101 A HA -0.130 4.232 4.320 0.069 0.000 0.217 101 A C 1.025 178.566 177.584 -0.072 0.000 1.169 101 A CA 0.751 52.737 52.037 -0.085 0.000 0.638 101 A CB -0.784 18.201 19.000 -0.024 0.000 0.812 101 A HN 0.516 nan 8.150 nan 0.000 0.446 102 D N 0.005 120.355 120.400 -0.083 0.000 2.434 102 D HA 0.126 4.807 4.640 0.069 0.000 0.252 102 D C -1.528 174.742 176.300 -0.051 0.000 1.185 102 D CA -1.921 52.045 54.000 -0.057 0.000 0.886 102 D CB 1.057 41.819 40.800 -0.062 0.000 1.148 102 D HN 0.051 nan 8.370 nan 0.000 0.483 103 P HA -0.125 nan 4.420 nan 0.000 0.219 103 P C 0.801 178.089 177.300 -0.021 0.000 1.146 103 P CA 0.764 63.847 63.100 -0.027 0.000 0.808 103 P CB 0.278 31.968 31.700 -0.017 0.000 0.779 104 N N -0.981 117.710 118.700 -0.015 0.000 2.289 104 N HA -0.074 4.707 4.740 0.069 0.000 0.184 104 N C 1.452 176.961 175.510 -0.001 0.000 1.016 104 N CA 1.290 54.337 53.050 -0.005 0.000 0.872 104 N CB -1.016 37.472 38.487 0.002 0.000 0.973 104 N HN 0.196 nan 8.380 nan 0.000 0.433 105 T N 0.460 115.006 114.554 -0.013 0.000 3.023 105 T HA 0.134 4.525 4.350 0.069 0.000 0.266 105 T C 1.020 175.719 174.700 -0.000 0.000 1.093 105 T CA 0.763 62.864 62.100 0.002 0.000 1.129 105 T CB -0.204 68.647 68.868 -0.028 0.000 0.899 105 T HN 0.373 nan 8.240 nan 0.000 0.491 106 A N 1.776 124.583 122.820 -0.022 0.000 2.687 106 A HA -0.150 4.211 4.320 0.069 0.000 0.299 106 A C 0.922 178.478 177.584 -0.046 0.000 1.497 106 A CA 0.658 52.673 52.037 -0.037 0.000 0.751 106 A CB -2.228 16.752 19.000 -0.032 0.000 1.048 106 A HN 0.515 nan 8.150 nan 0.000 0.464 107 S N 0.287 115.965 115.700 -0.036 0.000 2.564 107 S HA 0.480 4.991 4.470 0.069 0.000 0.278 107 S C -0.130 174.442 174.600 -0.047 0.000 1.333 107 S CA -0.657 57.537 58.200 -0.010 0.000 1.048 107 S CB 0.668 63.872 63.200 0.007 0.000 0.900 107 S HN 0.435 nan 8.310 nan 0.000 0.505 108 P HA -0.037 nan 4.420 nan 0.000 0.226 108 P C 0.112 177.352 177.300 -0.099 0.000 1.153 108 P CA 1.090 64.112 63.100 -0.129 0.000 0.777 108 P CB -0.058 31.574 31.700 -0.114 0.000 0.794 109 Y N -0.696 119.600 120.300 -0.005 0.000 2.658 109 Y HA 0.423 5.015 4.550 0.070 0.000 0.276 109 Y C 2.263 178.111 175.900 -0.085 0.000 1.167 109 Y CA -0.218 57.873 58.100 -0.014 0.000 1.230 109 Y CB -0.300 38.159 38.460 -0.002 0.000 1.144 109 Y HN -0.065 nan 8.280 nan 0.000 0.529 110 A N -0.542 122.273 122.820 -0.008 0.000 1.917 110 A HA -0.219 4.143 4.320 0.069 0.000 0.219 110 A C 2.291 179.795 177.584 -0.133 0.000 1.182 110 A CA 2.308 54.301 52.037 -0.073 0.000 0.633 110 A CB -0.700 18.253 19.000 -0.078 0.000 0.819 110 A HN 0.348 nan 8.150 nan 0.000 0.448 111 S N -1.850 113.726 115.700 -0.206 0.000 2.547 111 S HA -0.080 4.431 4.470 0.069 0.000 0.235 111 S C 1.488 175.560 174.600 -0.881 0.000 0.980 111 S CA 0.710 58.657 58.200 -0.421 0.000 0.941 111 S CB -0.510 62.477 63.200 -0.355 0.000 0.763 111 S HN 0.626 nan 8.310 nan 0.000 0.532 112 Y N 2.214 122.091 120.300 -0.705 0.000 2.256 112 Y HA -0.072 4.518 4.550 0.067 0.000 0.288 112 Y C 1.678 177.328 175.900 -0.418 0.000 1.155 112 Y CA 1.005 58.749 58.100 -0.594 0.000 1.203 112 Y CB -0.319 38.044 38.460 -0.162 0.000 0.980 112 Y HN 0.231 nan 8.280 nan 0.000 0.530 113 L N -0.725 120.343 121.223 -0.258 0.000 2.291 113 L HA -0.189 4.193 4.340 0.069 0.000 0.214 113 L C 2.160 178.900 176.870 -0.218 0.000 1.120 113 L CA 0.950 55.666 54.840 -0.208 0.000 0.799 113 L CB -0.419 41.563 42.059 -0.127 0.000 0.925 113 L HN 0.255 nan 8.230 nan 0.000 0.446 114 Q N -1.033 118.595 119.800 -0.287 0.000 2.137 114 Q HA -0.147 4.234 4.340 0.069 0.000 0.198 114 Q C 2.081 177.845 176.000 -0.394 0.000 0.960 114 Q CA 1.147 56.786 55.803 -0.274 0.000 0.847 114 Q CB -0.071 28.573 28.738 -0.157 0.000 0.915 114 Q HN 0.420 nan 8.270 nan 0.000 0.448 115 Y N 0.037 120.141 120.300 -0.326 0.000 2.224 115 Y HA -0.076 4.515 4.550 0.068 0.000 0.289 115 Y C 2.374 178.083 175.900 -0.317 0.000 1.146 115 Y CA 1.150 59.076 58.100 -0.289 0.000 1.182 115 Y CB -1.015 37.336 38.460 -0.181 0.000 0.983 115 Y HN 0.140 nan 8.280 nan 0.000 0.524 116 G N -2.212 106.491 108.800 -0.161 0.000 3.042 116 G HA2 -0.047 3.954 3.960 0.069 0.000 0.212 116 G HA3 -0.047 3.954 3.960 0.069 0.000 0.212 116 G C -0.053 174.860 174.900 0.021 0.000 1.166 116 G CA 0.204 45.328 45.100 0.040 0.000 0.767 116 G HN 0.611 nan 8.290 nan 0.000 0.546 117 H N -1.054 118.013 119.070 -0.004 0.000 2.770 117 H HA -0.131 4.466 4.556 0.068 0.000 0.309 117 H C 0.027 175.325 175.328 -0.050 0.000 1.206 117 H CA 0.494 56.531 56.048 -0.018 0.000 1.147 117 H CB -1.881 27.870 29.762 -0.018 0.000 1.422 117 H HN 0.278 nan 8.280 nan 0.000 0.420 118 I N 0.753 121.329 120.570 0.011 0.000 2.648 118 I HA 0.136 4.347 4.170 0.069 0.000 0.284 118 I C 1.393 177.540 176.117 0.050 0.000 1.153 118 I CA 0.724 62.044 61.300 0.035 0.000 1.426 118 I CB 0.622 38.691 38.000 0.115 0.000 1.381 118 I HN 0.426 nan 8.210 nan 0.000 0.571 119 A N 5.593 128.440 122.820 0.046 0.000 2.531 119 A HA 0.122 4.483 4.320 0.069 0.000 0.236 119 A C 1.080 178.693 177.584 0.047 0.000 1.062 119 A CA 0.057 52.121 52.037 0.045 0.000 0.760 119 A CB -0.279 18.741 19.000 0.033 0.000 0.995 119 A HN 0.909 nan 8.150 nan 0.000 0.501 120 N N -0.525 118.200 118.700 0.042 0.000 2.863 120 N HA -0.222 4.559 4.740 0.069 0.000 0.245 120 N C 0.559 176.088 175.510 0.031 0.000 1.001 120 N CA 1.208 54.280 53.050 0.036 0.000 0.901 120 N CB -1.451 37.057 38.487 0.036 0.000 1.124 120 N HN 0.786 nan 8.380 nan 0.000 0.582 121 I N 1.606 122.193 120.570 0.029 0.000 2.226 121 I HA -0.173 4.038 4.170 0.069 0.000 0.245 121 I C 1.696 177.815 176.117 0.004 0.000 1.100 121 I CA 1.804 63.111 61.300 0.010 0.000 1.374 121 I CB -0.118 37.875 38.000 -0.012 0.000 1.057 121 I HN 0.044 nan 8.210 nan 0.000 0.413 122 D N 0.759 121.167 120.400 0.013 0.000 2.092 122 D HA -0.204 4.477 4.640 0.069 0.000 0.193 122 D C 1.853 178.161 176.300 0.012 0.000 0.994 122 D CA 1.661 55.670 54.000 0.014 0.000 0.828 122 D CB -0.491 40.327 40.800 0.030 0.000 0.963 122 D HN 0.371 nan 8.370 nan 0.000 0.450 123 D N -0.064 120.346 120.400 0.016 0.000 2.149 123 D HA -0.083 4.598 4.640 0.069 0.000 0.198 123 D C 2.240 178.546 176.300 0.010 0.000 0.990 123 D CA 0.371 54.379 54.000 0.014 0.000 0.839 123 D CB -0.212 40.598 40.800 0.017 0.000 0.948 123 D HN 0.281 nan 8.370 nan 0.000 0.460 124 I N 0.315 120.890 120.570 0.009 0.000 2.202 124 I HA -0.190 4.021 4.170 0.069 0.000 0.242 124 I C 2.324 178.438 176.117 -0.004 0.000 1.091 124 I CA 0.631 61.934 61.300 0.005 0.000 1.368 124 I CB -0.066 37.939 38.000 0.008 0.000 1.058 124 I HN -0.055 nan 8.210 nan 0.000 0.410 125 I N 0.866 121.430 120.570 -0.010 0.000 2.264 125 I HA -0.284 3.927 4.170 0.069 0.000 0.248 125 I C 2.473 178.585 176.117 -0.009 0.000 1.111 125 I CA 1.351 62.641 61.300 -0.017 0.000 1.382 125 I CB -0.376 37.610 38.000 -0.024 0.000 1.060 125 I HN 0.188 nan 8.210 nan 0.000 0.418 126 A N 0.211 123.030 122.820 -0.002 0.000 2.235 126 A HA 0.223 4.584 4.320 0.069 0.000 0.208 126 A C 1.890 179.476 177.584 0.002 0.000 1.172 126 A CA 0.839 52.877 52.037 0.002 0.000 0.786 126 A CB -0.738 18.265 19.000 0.006 0.000 0.804 126 A HN 0.599 nan 8.150 nan 0.000 0.479 127 G N -0.551 108.249 108.800 0.001 0.000 2.148 127 G HA2 -0.318 3.684 3.960 0.069 0.000 0.254 127 G HA3 -0.318 3.684 3.960 0.069 0.000 0.254 127 G C 0.893 175.797 174.900 0.006 0.000 0.981 127 G CA 0.884 45.986 45.100 0.003 0.000 0.670 127 G HN 0.570 nan 8.290 nan 0.000 0.528 128 K N -0.480 119.924 120.400 0.007 0.000 2.243 128 K HA 0.125 4.487 4.320 0.069 0.000 0.201 128 K C 1.065 177.671 176.600 0.011 0.000 1.051 128 K CA 0.824 57.117 56.287 0.009 0.000 0.970 128 K CB 0.187 32.693 32.500 0.010 0.000 0.755 128 K HN 0.361 nan 8.250 nan 0.000 0.465 129 K N 0.761 121.168 120.400 0.012 0.000 2.426 129 K HA 0.306 4.667 4.320 0.069 0.000 0.251 129 K C -2.781 173.828 176.600 0.015 0.000 0.941 129 K CA -2.313 53.983 56.287 0.015 0.000 0.808 129 K CB 2.061 34.572 32.500 0.019 0.000 1.265 129 K HN -0.194 nan 8.250 nan 0.000 0.432 130 P HA 0.011 nan 4.420 nan 0.000 0.272 130 P C -0.064 177.249 177.300 0.022 0.000 1.230 130 P CA -0.064 63.047 63.100 0.019 0.000 0.788 130 P CB 0.919 32.632 31.700 0.022 0.000 0.949 131 A N 2.190 125.021 122.820 0.019 0.000 2.019 131 A HA -0.142 4.219 4.320 0.069 0.000 0.219 131 A C 1.819 179.429 177.584 0.044 0.000 1.164 131 A CA 2.147 54.197 52.037 0.022 0.000 0.644 131 A CB -1.862 17.139 19.000 0.001 0.000 0.805 131 A HN 0.677 nan 8.150 nan 0.000 0.449 132 T N -2.652 111.931 114.554 0.047 0.000 3.098 132 T HA -0.048 4.343 4.350 0.069 0.000 0.266 132 T C 0.636 175.372 174.700 0.059 0.000 1.145 132 T CA 1.209 63.346 62.100 0.062 0.000 1.092 132 T CB -0.258 68.645 68.868 0.059 0.000 0.908 132 T HN 0.332 nan 8.240 nan 0.000 0.526 133 D N 0.490 120.920 120.400 0.049 0.000 2.340 133 D HA 0.229 4.910 4.640 0.069 0.000 0.220 133 D C 0.453 176.786 176.300 0.054 0.000 1.039 133 D CA -0.256 53.772 54.000 0.046 0.000 0.866 133 D CB -0.248 40.573 40.800 0.035 0.000 0.913 133 D HN 0.341 nan 8.370 nan 0.000 0.523 134 L N 0.810 122.075 121.223 0.071 0.000 2.514 134 L HA 0.231 4.613 4.340 0.069 0.000 0.280 134 L C 1.226 178.151 176.870 0.090 0.000 1.223 134 L CA 0.204 55.099 54.840 0.091 0.000 0.864 134 L CB 0.763 42.901 42.059 0.131 0.000 1.118 134 L HN 0.027 nan 8.230 nan 0.000 0.494 135 G N 5.473 114.323 108.800 0.083 0.000 3.090 135 G HA2 0.423 4.424 3.960 0.069 0.000 0.259 135 G HA3 0.423 4.424 3.960 0.069 0.000 0.259 135 G C -0.517 174.404 174.900 0.035 0.000 0.797 135 G CA 0.397 45.529 45.100 0.053 0.000 2.032 135 G HN 0.771 nan 8.290 nan 0.000 0.614 136 V N -1.740 118.192 119.914 0.029 0.000 2.841 136 V HA 0.963 5.124 4.120 0.069 0.000 0.310 136 V C -0.724 175.344 176.094 -0.044 0.000 1.090 136 V CA -1.452 60.793 62.300 -0.091 0.000 0.930 136 V CB 2.032 33.861 31.823 0.010 0.000 1.014 136 V HN 0.571 nan 8.190 nan 0.000 0.425 137 K N 2.733 123.044 120.400 -0.147 0.000 2.551 137 K HA 0.889 5.250 4.320 0.069 0.000 0.269 137 K C -1.013 175.597 176.600 0.016 0.000 0.949 137 K CA -0.461 55.825 56.287 -0.002 0.000 0.849 137 K CB 2.391 34.893 32.500 0.003 0.000 1.411 137 K HN 1.405 nan 8.250 nan 0.000 0.432 138 A N 3.280 126.157 122.820 0.095 0.000 2.269 138 A HA 0.378 4.739 4.320 0.069 0.000 0.302 138 A C 0.625 178.222 177.584 0.021 0.000 1.266 138 A CA -0.912 51.139 52.037 0.022 0.000 0.894 138 A CB -0.163 18.685 19.000 -0.254 0.000 1.147 138 A HN 0.790 nan 8.150 nan 0.000 0.537 139 L N 1.065 122.295 121.223 0.011 0.000 2.270 139 L HA 0.127 4.509 4.340 0.069 0.000 0.210 139 L C 0.436 177.332 176.870 0.044 0.000 1.104 139 L CA 0.833 55.690 54.840 0.028 0.000 0.804 139 L CB -0.400 41.670 42.059 0.018 0.000 0.937 139 L HN 0.935 nan 8.230 nan 0.000 0.450 140 D N -4.588 115.823 120.400 0.018 0.000 2.779 140 D HA 0.059 4.741 4.640 0.069 0.000 0.331 140 D C -0.053 176.193 176.300 -0.091 0.000 1.331 140 D CA -0.623 53.394 54.000 0.028 0.000 0.866 140 D CB 0.201 41.038 40.800 0.062 0.000 1.409 140 D HN -0.342 nan 8.370 nan 0.000 0.486 141 D N -1.447 118.889 120.400 -0.107 0.000 2.218 141 D HA -0.096 4.586 4.640 0.069 0.000 0.204 141 D C 0.541 176.567 176.300 -0.456 0.000 0.976 141 D CA 1.226 55.038 54.000 -0.312 0.000 0.853 141 D CB -0.049 40.513 40.800 -0.398 0.000 0.939 141 D HN 0.389 nan 8.370 nan 0.000 0.481 142 H N -1.189 117.906 119.070 0.042 0.000 2.581 142 H HA 0.291 4.888 4.556 0.069 0.000 0.275 142 H C -0.194 175.176 175.328 0.069 0.000 1.126 142 H CA 0.139 56.220 56.048 0.055 0.000 1.097 142 H CB 0.513 30.314 29.762 0.064 0.000 1.626 142 H HN -0.119 nan 8.280 nan 0.000 0.565 143 T N 1.167 115.786 114.554 0.108 0.000 2.965 143 T HA 0.229 4.620 4.350 0.069 0.000 0.306 143 T C -0.935 173.827 174.700 0.103 0.000 0.991 143 T CA -0.517 61.637 62.100 0.089 0.000 1.001 143 T CB 1.209 70.121 68.868 0.074 0.000 0.984 143 T HN 0.120 nan 8.240 nan 0.000 0.446 144 F N 2.807 122.723 119.950 -0.056 0.000 2.427 144 F HA 0.560 5.128 4.527 0.068 0.000 0.346 144 F C 0.191 176.022 175.800 0.052 0.000 1.120 144 F CA -0.645 57.318 58.000 -0.062 0.000 1.033 144 F CB 0.866 39.747 39.000 -0.197 0.000 1.126 144 F HN 0.468 nan 8.300 nan 0.000 0.462 145 E N 5.861 125.823 120.200 -0.396 0.000 2.176 145 E HA 0.500 4.891 4.350 0.069 0.000 0.267 145 E C -1.800 174.557 176.600 -0.405 0.000 0.893 145 E CA -0.746 55.489 56.400 -0.275 0.000 0.761 145 E CB 1.995 31.605 29.700 -0.150 0.000 1.133 145 E HN 0.506 nan 8.360 nan 0.000 0.409 146 V N 3.532 123.352 119.914 -0.156 0.000 2.495 146 V HA 0.376 4.537 4.120 0.069 0.000 0.298 146 V C -0.230 175.879 176.094 0.025 0.000 1.031 146 V CA -0.619 61.635 62.300 -0.076 0.000 0.871 146 V CB 1.968 33.908 31.823 0.195 0.000 0.988 146 V HN 0.717 nan 8.190 nan 0.000 0.432 147 T N 6.392 120.942 114.554 -0.006 0.000 2.786 147 T HA 0.629 5.020 4.350 0.069 0.000 0.283 147 T C -0.314 174.382 174.700 -0.007 0.000 0.992 147 T CA -0.282 61.819 62.100 0.002 0.000 0.954 147 T CB 0.744 69.608 68.868 -0.008 0.000 0.934 147 T HN 0.343 nan 8.240 nan 0.000 0.440 148 L N 2.024 123.239 121.223 -0.013 0.000 2.387 148 L HA 0.451 4.833 4.340 0.069 0.000 0.266 148 L C 1.636 178.515 176.870 0.015 0.000 1.059 148 L CA -0.811 54.014 54.840 -0.025 0.000 0.801 148 L CB 1.363 43.382 42.059 -0.067 0.000 1.223 148 L HN 0.724 nan 8.230 nan 0.000 0.456 149 S N -0.938 114.784 115.700 0.037 0.000 2.562 149 S HA 0.054 4.565 4.470 0.069 0.000 0.221 149 S C 0.209 174.811 174.600 0.004 0.000 0.975 149 S CA -0.132 58.086 58.200 0.030 0.000 0.918 149 S CB -0.275 62.958 63.200 0.055 0.000 0.772 149 S HN 0.780 nan 8.310 nan 0.000 0.531 150 E N -0.413 119.779 120.200 -0.013 0.000 2.423 150 E HA 0.462 4.853 4.350 0.069 0.000 0.280 150 E C -3.552 173.048 176.600 0.001 0.000 1.030 150 E CA -2.710 53.670 56.400 -0.034 0.000 0.812 150 E CB 0.386 30.020 29.700 -0.109 0.000 1.313 150 E HN -0.067 nan 8.360 nan 0.000 0.456 151 P HA 0.099 nan 4.420 nan 0.000 0.267 151 P C -0.711 176.629 177.300 0.067 0.000 1.209 151 P CA -0.235 62.958 63.100 0.154 0.000 0.763 151 P CB 0.611 32.444 31.700 0.222 0.000 0.816 152 V N 6.888 126.875 119.914 0.121 0.000 2.380 152 V HA 0.180 4.342 4.120 0.069 0.000 0.272 152 V C -1.681 174.381 176.094 -0.054 0.000 1.011 152 V CA -1.324 60.891 62.300 -0.141 0.000 0.826 152 V CB 1.646 33.343 31.823 -0.209 0.000 1.040 152 V HN 0.397 nan 8.190 nan 0.000 0.441 153 P HA -0.110 nan 4.420 nan 0.000 0.220 153 P C 1.023 178.390 177.300 0.110 0.000 1.148 153 P CA 1.169 64.047 63.100 -0.369 0.000 0.803 153 P CB -0.010 31.230 31.700 -0.766 0.000 0.782 154 Y N -4.366 115.967 120.300 0.055 0.000 2.461 154 Y HA 0.319 4.909 4.550 0.068 0.000 0.277 154 Y C 1.780 177.492 175.900 -0.314 0.000 1.182 154 Y CA -0.943 57.095 58.100 -0.102 0.000 1.276 154 Y CB -1.344 37.076 38.460 -0.067 0.000 1.087 154 Y HN -0.219 nan 8.280 nan 0.000 0.519 155 F N 2.548 122.170 119.950 -0.546 0.000 2.087 155 F HA -0.309 4.261 4.527 0.072 0.000 0.299 155 F C 2.382 177.781 175.800 -0.668 0.000 1.100 155 F CA 1.879 59.453 58.000 -0.710 0.000 1.226 155 F CB -0.895 37.511 39.000 -0.990 0.000 0.983 155 F HN 0.329 nan 8.300 nan 0.000 0.479 156 Y N -0.116 119.732 120.300 -0.754 0.000 2.333 156 Y HA -0.102 4.486 4.550 0.064 0.000 0.290 156 Y C 2.062 177.743 175.900 -0.365 0.000 1.144 156 Y CA 1.412 59.164 58.100 -0.580 0.000 1.228 156 Y CB -1.388 36.938 38.460 -0.223 0.000 0.985 156 Y HN 0.025 nan 8.280 nan 0.000 0.542 157 K N 0.242 120.032 120.400 -1.016 0.000 2.211 157 K HA -0.119 4.242 4.320 0.069 0.000 0.204 157 K C 1.640 178.061 176.600 -0.298 0.000 1.047 157 K CA 1.468 57.447 56.287 -0.513 0.000 0.935 157 K CB -0.261 32.018 32.500 -0.367 0.000 0.728 157 K HN 0.274 nan 8.250 nan 0.000 0.452 158 L N 0.660 121.556 121.223 -0.546 0.000 2.201 158 L HA -0.109 4.272 4.340 0.069 0.000 0.212 158 L C 1.707 178.515 176.870 -0.104 0.000 1.105 158 L CA 1.374 55.963 54.840 -0.419 0.000 0.775 158 L CB -0.369 41.215 42.059 -0.790 0.000 0.913 158 L HN 0.148 nan 8.230 nan 0.000 0.440 159 L N -1.376 119.699 121.223 -0.245 0.000 2.622 159 L HA -0.061 4.320 4.340 0.069 0.000 0.233 159 L C 1.695 178.582 176.870 0.028 0.000 1.156 159 L CA -0.045 54.719 54.840 -0.128 0.000 0.866 159 L CB -0.507 41.379 42.059 -0.288 0.000 0.980 159 L HN 0.087 nan 8.230 nan 0.000 0.448 160 V N -2.288 117.676 119.914 0.083 0.000 3.461 160 V HA -0.056 4.105 4.120 0.069 0.000 0.267 160 V C 1.248 177.416 176.094 0.123 0.000 1.186 160 V CA 0.237 62.623 62.300 0.143 0.000 1.154 160 V CB -1.076 30.856 31.823 0.183 0.000 0.802 160 V HN 0.401 nan 8.190 nan 0.000 0.474 161 H N 1.461 120.519 119.070 -0.020 0.000 2.652 161 H HA 0.136 4.732 4.556 0.067 0.000 0.349 161 H C -1.696 173.494 175.328 -0.229 0.000 1.099 161 H CA -1.602 54.327 56.048 -0.199 0.000 1.417 161 H CB 2.205 31.696 29.762 -0.453 0.000 1.457 161 H HN 0.004 nan 8.280 nan 0.000 0.568 162 P HA -0.188 nan 4.420 nan 0.000 0.218 162 P C 1.553 178.678 177.300 -0.292 0.000 1.148 162 P CA 1.980 64.817 63.100 -0.439 0.000 0.822 162 P CB 0.113 31.511 31.700 -0.504 0.000 0.784 163 S N -0.906 114.587 115.700 -0.344 0.000 2.442 163 S HA -0.102 4.409 4.470 0.069 0.000 0.236 163 S C 1.526 176.109 174.600 -0.028 0.000 1.007 163 S CA 1.412 59.543 58.200 -0.115 0.000 0.965 163 S CB -1.563 61.519 63.200 -0.197 0.000 0.773 163 S HN 0.153 nan 8.310 nan 0.000 0.504 164 V N -1.091 118.796 119.914 -0.045 0.000 3.342 164 V HA 0.426 4.587 4.120 0.069 0.000 0.322 164 V C 0.366 176.711 176.094 0.418 0.000 1.370 164 V CA -0.668 61.658 62.300 0.044 0.000 1.170 164 V CB -0.722 30.975 31.823 -0.211 0.000 1.101 164 V HN 0.263 nan 8.190 nan 0.000 0.442 165 S N 3.365 119.194 115.700 0.215 0.000 2.603 165 S HA 0.449 4.961 4.470 0.069 0.000 0.268 165 S C -2.220 172.424 174.600 0.073 0.000 1.317 165 S CA -0.503 57.815 58.200 0.196 0.000 1.012 165 S CB 1.026 64.304 63.200 0.129 0.000 0.926 165 S HN 0.494 nan 8.310 nan 0.000 0.539 166 P HA 0.289 nan 4.420 nan 0.000 0.278 166 P C -0.874 176.492 177.300 0.110 0.000 1.238 166 P CA -0.400 62.560 63.100 -0.233 0.000 0.794 166 P CB 0.708 32.016 31.700 -0.652 0.000 0.955 167 V N -1.115 118.845 119.914 0.077 0.000 2.864 167 V HA 0.672 4.834 4.120 0.069 0.000 0.314 167 V C -2.664 173.324 176.094 -0.177 0.000 1.073 167 V CA -3.083 59.163 62.300 -0.090 0.000 0.956 167 V CB 1.745 33.300 31.823 -0.447 0.000 1.023 167 V HN 0.349 nan 8.190 nan 0.000 0.435 168 P HA 0.277 nan 4.420 nan 0.000 0.284 168 P C 0.257 177.179 177.300 -0.629 0.000 1.343 168 P CA -0.287 62.310 63.100 -0.837 0.000 0.826 168 P CB 1.425 32.553 31.700 -0.955 0.000 0.956 169 K N 3.326 123.342 120.400 -0.639 0.000 2.044 169 K HA -0.198 4.163 4.320 0.069 0.000 0.210 169 K C 1.839 178.131 176.600 -0.513 0.000 1.049 169 K CA 2.423 58.205 56.287 -0.842 0.000 0.927 169 K CB -0.240 31.501 32.500 -1.264 0.000 0.713 169 K HN 0.431 nan 8.250 nan 0.000 0.443 170 S N 0.084 115.537 115.700 -0.411 0.000 2.382 170 S HA -0.110 4.401 4.470 0.069 0.000 0.228 170 S C 2.172 176.663 174.600 -0.182 0.000 1.027 170 S CA 0.963 59.003 58.200 -0.267 0.000 0.991 170 S CB -0.349 62.724 63.200 -0.212 0.000 0.823 170 S HN 0.424 nan 8.310 nan 0.000 0.469 171 A N 1.453 124.185 122.820 -0.147 0.000 1.897 171 A HA 0.164 4.525 4.320 0.069 0.000 0.215 171 A C 2.414 180.045 177.584 0.079 0.000 1.181 171 A CA 1.308 53.423 52.037 0.130 0.000 0.620 171 A CB -1.059 18.062 19.000 0.201 0.000 0.821 171 A HN 0.417 nan 8.150 nan 0.000 0.443 172 V N 0.228 119.960 119.914 -0.303 0.000 2.255 172 V HA -0.296 3.865 4.120 0.069 0.000 0.247 172 V C 2.463 178.505 176.094 -0.087 0.000 1.051 172 V CA 2.441 64.521 62.300 -0.367 0.000 1.018 172 V CB -0.799 30.727 31.823 -0.496 0.000 0.641 172 V HN 0.638 nan 8.190 nan 0.000 0.445 173 E N -0.399 119.723 120.200 -0.129 0.000 2.106 173 E HA -0.254 4.137 4.350 0.069 0.000 0.192 173 E C 2.280 178.806 176.600 -0.122 0.000 0.984 173 E CA 1.349 57.691 56.400 -0.096 0.000 0.806 173 E CB -0.089 29.533 29.700 -0.130 0.000 0.750 173 E HN 0.541 nan 8.360 nan 0.000 0.458 174 K N 0.095 120.369 120.400 -0.210 0.000 2.076 174 K HA -0.073 4.288 4.320 0.069 0.000 0.204 174 K C 1.223 177.539 176.600 -0.474 0.000 1.051 174 K CA 1.090 57.118 56.287 -0.431 0.000 0.949 174 K CB 0.086 32.163 32.500 -0.704 0.000 0.726 174 K HN 0.034 nan 8.250 nan 0.000 0.443 175 F N 0.285 120.275 119.950 0.068 0.000 2.678 175 F HA 0.304 4.872 4.527 0.069 0.000 0.305 175 F C 1.415 177.303 175.800 0.147 0.000 1.090 175 F CA 0.062 58.130 58.000 0.113 0.000 1.272 175 F CB 0.559 39.652 39.000 0.156 0.000 1.060 175 F HN 0.299 nan 8.300 nan 0.000 0.576 176 G N 1.751 110.712 108.800 0.267 0.000 2.622 176 G HA2 -0.382 3.619 3.960 0.069 0.000 0.307 176 G HA3 -0.382 3.619 3.960 0.069 0.000 0.307 176 G C 0.716 175.835 174.900 0.364 0.000 1.226 176 G CA 0.615 45.859 45.100 0.239 0.000 0.997 176 G HN 0.373 nan 8.290 nan 0.000 0.551 177 D N 1.149 121.700 120.400 0.253 0.000 2.363 177 D HA 0.035 4.716 4.640 0.069 0.000 0.226 177 D C 1.362 177.750 176.300 0.148 0.000 1.020 177 D CA 0.796 54.927 54.000 0.219 0.000 0.892 177 D CB 0.075 40.951 40.800 0.127 0.000 0.900 177 D HN 0.332 nan 8.370 nan 0.000 0.531 178 K N 0.879 121.394 120.400 0.191 0.000 2.372 178 K HA 0.036 4.397 4.320 0.069 0.000 0.200 178 K C 1.684 178.357 176.600 0.122 0.000 1.022 178 K CA -0.335 56.013 56.287 0.102 0.000 1.125 178 K CB -0.459 32.106 32.500 0.107 0.000 0.855 178 K HN 0.466 nan 8.250 nan 0.000 0.524 179 W N 2.009 123.387 121.300 0.130 0.000 2.364 179 W HA -0.173 4.527 4.660 0.067 0.000 0.281 179 W C 0.772 177.329 176.519 0.064 0.000 1.219 179 W CA 1.585 58.999 57.345 0.114 0.000 1.220 179 W CB -1.214 28.349 29.460 0.170 0.000 1.127 179 W HN 0.056 nan 8.180 nan 0.000 0.556 180 T N -0.785 113.457 114.554 -0.521 0.000 3.129 180 T HA 0.025 4.416 4.350 0.069 0.000 0.251 180 T C 0.840 175.503 174.700 -0.061 0.000 1.117 180 T CA 0.042 61.851 62.100 -0.485 0.000 1.034 180 T CB -0.160 68.334 68.868 -0.623 0.000 0.968 180 T HN -0.069 nan 8.240 nan 0.000 0.526 181 Q N 1.869 121.643 119.800 -0.043 0.000 2.392 181 Q HA 0.211 4.592 4.340 0.069 0.000 0.262 181 Q C -1.625 174.370 176.000 -0.008 0.000 1.003 181 Q CA -2.219 53.584 55.803 -0.001 0.000 0.888 181 Q CB 1.197 29.887 28.738 -0.080 0.000 1.260 181 Q HN 0.131 nan 8.270 nan 0.000 0.435 182 P HA -0.172 nan 4.420 nan 0.000 0.216 182 P C 0.595 177.881 177.300 -0.023 0.000 1.150 182 P CA 1.982 65.096 63.100 0.023 0.000 0.843 182 P CB 0.173 31.900 31.700 0.045 0.000 0.787 183 A N -1.083 121.699 122.820 -0.064 0.000 2.119 183 A HA -0.116 4.245 4.320 0.069 0.000 0.217 183 A C 1.856 179.331 177.584 -0.182 0.000 1.153 183 A CA 1.415 53.396 52.037 -0.094 0.000 0.692 183 A CB -0.744 18.200 19.000 -0.093 0.000 0.799 183 A HN 0.162 nan 8.150 nan 0.000 0.458 184 N N -1.245 117.293 118.700 -0.271 0.000 2.397 184 N HA 0.186 4.967 4.740 0.069 0.000 0.190 184 N C 0.473 175.929 175.510 -0.091 0.000 1.099 184 N CA -0.201 52.572 53.050 -0.461 0.000 0.876 184 N CB 0.211 38.128 38.487 -0.949 0.000 1.143 184 N HN 0.491 nan 8.380 nan 0.000 0.468 185 I N 1.876 122.456 120.570 0.016 0.000 2.836 185 I HA -0.004 4.208 4.170 0.069 0.000 0.285 185 I C -0.673 175.562 176.117 0.196 0.000 1.174 185 I CA 0.116 61.535 61.300 0.198 0.000 1.405 185 I CB 0.714 38.775 38.000 0.101 0.000 1.385 185 I HN -0.302 nan 8.210 nan 0.000 0.594 186 V N 5.782 125.879 119.914 0.305 0.000 2.577 186 V HA 0.414 4.575 4.120 0.069 0.000 0.303 186 V C -0.159 176.200 176.094 0.443 0.000 1.042 186 V CA -0.450 62.002 62.300 0.254 0.000 0.872 186 V CB 1.952 33.823 31.823 0.081 0.000 0.998 186 V HN 0.891 nan 8.190 nan 0.000 0.423 187 T N 0.247 115.021 114.554 0.368 0.000 2.916 187 T HA 0.478 4.869 4.350 0.069 0.000 0.292 187 T C 0.215 175.079 174.700 0.273 0.000 1.055 187 T CA -0.640 61.588 62.100 0.215 0.000 1.009 187 T CB 2.101 70.799 68.868 -0.283 0.000 1.118 187 T HN 0.628 nan 8.240 nan 0.000 0.497 188 N N -0.354 118.357 118.700 0.017 0.000 2.159 188 N HA 0.210 4.991 4.740 0.069 0.000 0.217 188 N C 0.638 176.120 175.510 -0.048 0.000 1.223 188 N CA -0.302 52.666 53.050 -0.137 0.000 0.896 188 N CB 0.367 38.446 38.487 -0.681 0.000 1.064 188 N HN 0.808 nan 8.380 nan 0.000 0.518 189 G N 0.084 108.784 108.800 -0.167 0.000 2.510 189 G HA2 0.507 4.508 3.960 0.069 0.000 0.280 189 G HA3 0.507 4.508 3.960 0.069 0.000 0.280 189 G C 0.853 175.332 174.900 -0.701 0.000 1.386 189 G CA 0.028 44.932 45.100 -0.328 0.000 1.047 189 G HN 0.212 nan 8.290 nan 0.000 0.527 190 A N -1.715 120.476 122.820 -1.048 0.000 2.067 190 A HA 0.248 4.609 4.320 0.069 0.000 0.219 190 A C 0.460 177.497 177.584 -0.912 0.000 1.158 190 A CA 0.905 52.234 52.037 -1.180 0.000 0.661 190 A CB -0.365 18.066 19.000 -0.949 0.000 0.801 190 A HN 0.462 nan 8.150 nan 0.000 0.452 191 Y N -1.208 118.940 120.300 -0.253 0.000 2.621 191 Y HA 0.585 5.173 4.550 0.064 0.000 0.334 191 Y C 0.263 176.078 175.900 -0.142 0.000 1.074 191 Y CA -0.911 57.102 58.100 -0.145 0.000 1.149 191 Y CB 1.495 39.890 38.460 -0.109 0.000 1.302 191 Y HN -0.087 nan 8.280 nan 0.000 0.501 192 K N 1.133 121.573 120.400 0.066 0.000 2.385 192 K HA 0.483 4.845 4.320 0.069 0.000 0.248 192 K C -1.749 174.862 176.600 0.018 0.000 0.955 192 K CA -1.194 55.100 56.287 0.011 0.000 0.816 192 K CB 2.573 35.090 32.500 0.028 0.000 1.250 192 K HN 0.401 nan 8.250 nan 0.000 0.434 193 L N 2.635 123.848 121.223 -0.017 0.000 2.319 193 L HA 0.167 4.548 4.340 0.069 0.000 0.280 193 L C 0.954 177.836 176.870 0.020 0.000 1.099 193 L CA 0.695 55.525 54.840 -0.017 0.000 0.828 193 L CB 0.687 42.722 42.059 -0.039 0.000 1.150 193 L HN 0.704 nan 8.230 nan 0.000 0.442 194 K N 3.356 123.775 120.400 0.031 0.000 2.190 194 K HA 0.228 4.590 4.320 0.069 0.000 0.202 194 K C -0.193 176.438 176.600 0.051 0.000 1.045 194 K CA 0.274 56.584 56.287 0.040 0.000 0.976 194 K CB 0.429 32.953 32.500 0.039 0.000 0.849 194 K HN 0.744 nan 8.250 nan 0.000 0.468 195 N N -0.630 118.110 118.700 0.067 0.000 2.277 195 N HA 0.109 4.891 4.740 0.069 0.000 0.286 195 N C -2.102 173.520 175.510 0.187 0.000 1.140 195 N CA -0.491 52.619 53.050 0.101 0.000 0.799 195 N CB 1.599 40.132 38.487 0.076 0.000 1.596 195 N HN 0.087 nan 8.380 nan 0.000 0.473 196 W N 2.751 124.034 121.300 -0.028 0.000 2.664 196 W HA 0.443 5.146 4.660 0.072 0.000 0.314 196 W C -1.958 174.545 176.519 -0.028 0.000 1.010 196 W CA -0.676 56.650 57.345 -0.032 0.000 1.306 196 W CB 0.387 29.818 29.460 -0.049 0.000 1.254 196 W HN 0.106 nan 8.180 nan 0.000 0.404 197 V N 6.928 127.004 119.914 0.271 0.000 2.313 197 V HA 0.224 4.385 4.120 0.069 0.000 0.278 197 V C 0.382 176.529 176.094 0.088 0.000 1.017 197 V CA -1.020 61.323 62.300 0.072 0.000 0.823 197 V CB 0.965 32.823 31.823 0.058 0.000 1.010 197 V HN 0.197 nan 8.190 nan 0.000 0.443 198 V N 5.571 125.430 119.914 -0.093 0.000 2.644 198 V HA 0.000 4.161 4.120 0.069 0.000 0.305 198 V C 1.274 177.389 176.094 0.035 0.000 1.053 198 V CA 0.917 63.200 62.300 -0.028 0.000 1.186 198 V CB -0.595 31.130 31.823 -0.164 0.000 0.895 198 V HN 1.152 nan 8.190 nan 0.000 0.490 199 N N 1.756 120.508 118.700 0.087 0.000 2.800 199 N HA -0.217 4.565 4.740 0.069 0.000 0.250 199 N C 1.041 176.581 175.510 0.050 0.000 1.078 199 N CA 1.110 54.196 53.050 0.060 0.000 0.804 199 N CB -0.421 38.085 38.487 0.032 0.000 1.135 199 N HN 0.927 nan 8.380 nan 0.000 0.565 200 E N 0.244 120.487 120.200 0.071 0.000 3.441 200 E HA 0.160 4.551 4.350 0.069 0.000 0.195 200 E C -0.052 176.587 176.600 0.065 0.000 1.172 200 E CA 0.095 56.528 56.400 0.054 0.000 1.457 200 E CB 0.848 30.575 29.700 0.045 0.000 1.388 200 E HN 0.360 nan 8.360 nan 0.000 0.551 201 R N -0.003 120.560 120.500 0.105 0.000 2.709 201 R HA 0.443 4.824 4.340 0.069 0.000 0.270 201 R C -1.730 174.651 176.300 0.136 0.000 1.038 201 R CA -0.692 55.465 56.100 0.094 0.000 0.872 201 R CB 0.511 30.846 30.300 0.057 0.000 1.259 201 R HN 0.004 nan 8.270 nan 0.000 0.473 202 I N 2.018 122.635 120.570 0.078 0.000 2.406 202 I HA 0.386 4.597 4.170 0.069 0.000 0.290 202 I C -0.778 175.363 176.117 0.039 0.000 0.999 202 I CA -1.198 60.113 61.300 0.017 0.000 1.124 202 I CB 2.311 40.213 38.000 -0.164 0.000 1.289 202 I HN 0.321 nan 8.210 nan 0.000 0.441 203 V N 7.398 127.331 119.914 0.032 0.000 2.409 203 V HA 0.470 4.631 4.120 0.069 0.000 0.291 203 V C -0.059 176.042 176.094 0.013 0.000 1.020 203 V CA -0.548 61.763 62.300 0.019 0.000 0.848 203 V CB 1.657 33.494 31.823 0.023 0.000 0.990 203 V HN 0.470 nan 8.190 nan 0.000 0.430 204 L N 5.067 126.290 121.223 -0.000 0.000 2.331 204 L HA 0.732 5.113 4.340 0.069 0.000 0.275 204 L C 0.066 176.986 176.870 0.083 0.000 1.022 204 L CA -0.524 54.328 54.840 0.019 0.000 0.812 204 L CB 1.882 43.921 42.059 -0.034 0.000 1.257 204 L HN 0.793 nan 8.230 nan 0.000 0.435 205 E N 2.119 122.416 120.200 0.163 0.000 2.312 205 E HA 0.411 4.802 4.350 0.069 0.000 0.267 205 E C -0.816 175.937 176.600 0.254 0.000 0.894 205 E CA -1.124 55.394 56.400 0.197 0.000 0.773 205 E CB 2.094 31.852 29.700 0.097 0.000 1.241 205 E HN 0.449 nan 8.360 nan 0.000 0.432 206 R N 1.626 122.233 120.500 0.178 0.000 2.566 206 R HA -0.093 4.288 4.340 0.069 0.000 0.273 206 R C -0.640 175.595 176.300 -0.108 0.000 0.981 206 R CA 0.178 56.209 56.100 -0.116 0.000 1.091 206 R CB 0.229 30.486 30.300 -0.072 0.000 0.924 206 R HN 0.599 nan 8.270 nan 0.000 0.411 207 N N 5.797 124.370 118.700 -0.211 0.000 2.485 207 N HA 0.196 4.977 4.740 0.069 0.000 0.243 207 N C -2.025 173.466 175.510 -0.032 0.000 0.987 207 N CA -2.399 50.601 53.050 -0.083 0.000 0.940 207 N CB 1.528 39.957 38.487 -0.097 0.000 1.122 207 N HN 0.369 nan 8.380 nan 0.000 0.509 208 P HA -0.092 nan 4.420 nan 0.000 0.226 208 P C 0.569 177.895 177.300 0.043 0.000 1.153 208 P CA 0.996 64.105 63.100 0.016 0.000 0.777 208 P CB 0.486 32.197 31.700 0.019 0.000 0.794 209 Q N -1.681 118.162 119.800 0.072 0.000 2.432 209 Q HA -0.031 4.350 4.340 0.069 0.000 0.205 209 Q C 0.557 176.635 176.000 0.129 0.000 0.945 209 Q CA -0.024 55.839 55.803 0.100 0.000 0.924 209 Q CB -0.794 28.020 28.738 0.126 0.000 1.016 209 Q HN 0.333 nan 8.270 nan 0.000 0.503 210 Y N 2.452 122.728 120.300 -0.040 0.000 2.811 210 Y HA -0.200 4.388 4.550 0.064 0.000 0.334 210 Y C 1.360 177.228 175.900 -0.053 0.000 1.247 210 Y CA -0.437 57.613 58.100 -0.083 0.000 1.526 210 Y CB 0.293 38.619 38.460 -0.223 0.000 1.284 210 Y HN 0.250 nan 8.280 nan 0.000 0.586 211 W N 4.062 125.057 121.300 -0.509 0.000 2.342 211 W HA -0.189 4.510 4.660 0.065 0.000 0.297 211 W C 0.249 176.457 176.519 -0.518 0.000 1.213 211 W CA 1.364 58.443 57.345 -0.443 0.000 1.251 211 W CB -0.357 28.890 29.460 -0.354 0.000 1.136 211 W HN 0.528 nan 8.180 nan 0.000 0.526 212 D N 0.705 120.007 120.400 -1.831 0.000 2.491 212 D HA -0.010 4.671 4.640 0.069 0.000 0.228 212 D C 1.424 177.391 176.300 -0.555 0.000 1.183 212 D CA 0.003 53.244 54.000 -1.265 0.000 0.827 212 D CB -0.650 39.028 40.800 -1.871 0.000 0.989 212 D HN 0.008 nan 8.370 nan 0.000 0.494 213 N N 0.411 118.916 118.700 -0.325 0.000 2.137 213 N HA -0.202 4.579 4.740 0.069 0.000 0.190 213 N C 1.683 177.148 175.510 -0.075 0.000 1.017 213 N CA 1.623 54.627 53.050 -0.077 0.000 0.859 213 N CB -0.003 38.463 38.487 -0.035 0.000 1.002 213 N HN 0.165 nan 8.380 nan 0.000 0.428 214 A N 0.241 123.009 122.820 -0.086 0.000 2.024 214 A HA -0.135 4.227 4.320 0.069 0.000 0.220 214 A C 1.877 179.433 177.584 -0.046 0.000 1.164 214 A CA 1.392 53.399 52.037 -0.051 0.000 0.643 214 A CB -0.312 18.665 19.000 -0.039 0.000 0.806 214 A HN 0.417 nan 8.150 nan 0.000 0.451 215 K N -0.356 120.003 120.400 -0.067 0.000 2.404 215 K HA 0.065 4.427 4.320 0.069 0.000 0.194 215 K C -0.210 176.385 176.600 -0.009 0.000 1.023 215 K CA 0.146 56.410 56.287 -0.039 0.000 1.094 215 K CB 0.109 32.579 32.500 -0.051 0.000 0.841 215 K HN 0.294 nan 8.250 nan 0.000 0.523 216 T N 0.957 115.501 114.554 -0.016 0.000 2.901 216 T HA 0.079 4.470 4.350 0.069 0.000 0.301 216 T C 1.272 175.996 174.700 0.040 0.000 1.012 216 T CA -0.214 61.890 62.100 0.007 0.000 1.135 216 T CB 1.790 70.611 68.868 -0.079 0.000 0.936 216 T HN -0.186 nan 8.240 nan 0.000 0.539 217 V N 2.822 122.795 119.914 0.098 0.000 2.911 217 V HA 0.172 4.333 4.120 0.069 0.000 0.237 217 V C 0.984 177.160 176.094 0.135 0.000 1.156 217 V CA 0.149 62.516 62.300 0.112 0.000 1.180 217 V CB 0.138 32.051 31.823 0.149 0.000 0.932 217 V HN 0.718 nan 8.190 nan 0.000 0.483 218 I N 2.741 123.424 120.570 0.188 0.000 2.598 218 I HA 0.056 4.267 4.170 0.069 0.000 0.284 218 I C 1.032 177.287 176.117 0.229 0.000 1.140 218 I CA 0.591 62.003 61.300 0.187 0.000 1.420 218 I CB 0.425 38.527 38.000 0.169 0.000 1.387 218 I HN 0.333 nan 8.210 nan 0.000 0.553 219 N N 4.400 123.192 118.700 0.154 0.000 2.395 219 N HA -0.025 4.757 4.740 0.069 0.000 0.175 219 N C 0.465 176.085 175.510 0.182 0.000 1.029 219 N CA 0.499 53.639 53.050 0.149 0.000 0.897 219 N CB 0.604 39.139 38.487 0.079 0.000 0.991 219 N HN 0.658 nan 8.380 nan 0.000 0.441 220 Q N 0.376 120.247 119.800 0.119 0.000 2.353 220 Q HA 0.443 4.824 4.340 0.069 0.000 0.275 220 Q C -2.110 173.850 176.000 -0.067 0.000 1.029 220 Q CA -0.490 55.342 55.803 0.049 0.000 0.848 220 Q CB 2.512 31.264 28.738 0.024 0.000 1.390 220 Q HN -0.111 nan 8.270 nan 0.000 0.401 221 V N 2.504 122.315 119.914 -0.173 0.000 2.709 221 V HA 0.714 4.875 4.120 0.069 0.000 0.308 221 V C -1.368 174.587 176.094 -0.231 0.000 1.062 221 V CA -0.060 62.073 62.300 -0.278 0.000 0.901 221 V CB 2.441 33.986 31.823 -0.463 0.000 1.003 221 V HN 0.902 nan 8.190 nan 0.000 0.425 222 T N 6.527 120.929 114.554 -0.254 0.000 2.797 222 T HA 0.596 4.988 4.350 0.069 0.000 0.279 222 T C -1.343 173.182 174.700 -0.292 0.000 0.991 222 T CA 0.059 62.061 62.100 -0.163 0.000 0.979 222 T CB 0.950 69.761 68.868 -0.096 0.000 0.943 222 T HN 0.565 nan 8.240 nan 0.000 0.444 223 Y N 2.540 122.773 120.300 -0.111 0.000 2.331 223 Y HA 0.542 5.131 4.550 0.066 0.000 0.338 223 Y C 0.149 175.996 175.900 -0.088 0.000 0.992 223 Y CA -0.908 57.123 58.100 -0.116 0.000 1.121 223 Y CB 0.933 39.300 38.460 -0.156 0.000 1.184 223 Y HN 0.401 nan 8.280 nan 0.000 0.469 224 L N 6.015 127.262 121.223 0.039 0.000 2.352 224 L HA 0.513 4.894 4.340 0.069 0.000 0.269 224 L C -1.978 174.884 176.870 -0.012 0.000 1.034 224 L CA -1.955 52.894 54.840 0.014 0.000 0.806 224 L CB 1.805 43.860 42.059 -0.007 0.000 1.244 224 L HN 0.428 nan 8.230 nan 0.000 0.447 225 P HA 0.267 nan 4.420 nan 0.000 0.253 225 P C -0.422 176.836 177.300 -0.071 0.000 1.863 225 P CA -0.068 62.998 63.100 -0.055 0.000 1.145 225 P CB -0.023 31.679 31.700 0.003 0.000 1.666 226 I N 1.073 121.597 120.570 -0.077 0.000 2.337 226 I HA 0.057 4.268 4.170 0.069 0.000 0.291 226 I C 1.645 177.708 176.117 -0.091 0.000 1.046 226 I CA 0.037 61.302 61.300 -0.057 0.000 1.324 226 I CB 0.958 38.942 38.000 -0.028 0.000 1.409 226 I HN 0.013 nan 8.210 nan 0.000 0.494 227 S N 2.283 117.941 115.700 -0.069 0.000 2.503 227 S HA -0.012 4.499 4.470 0.069 0.000 0.217 227 S C 1.000 175.581 174.600 -0.033 0.000 0.999 227 S CA -0.322 57.834 58.200 -0.073 0.000 0.914 227 S CB 0.117 63.290 63.200 -0.045 0.000 0.782 227 S HN 0.599 nan 8.310 nan 0.000 0.520 228 S N 1.302 116.992 115.700 -0.017 0.000 2.455 228 S HA 0.237 4.749 4.470 0.069 0.000 0.278 228 S C 0.673 175.268 174.600 -0.008 0.000 1.216 228 S CA -0.506 57.690 58.200 -0.007 0.000 1.055 228 S CB 0.735 63.937 63.200 0.002 0.000 0.939 228 S HN 0.364 nan 8.310 nan 0.000 0.494 229 E N 3.566 123.757 120.200 -0.015 0.000 2.150 229 E HA -0.068 4.323 4.350 0.069 0.000 0.193 229 E C 1.895 178.491 176.600 -0.007 0.000 0.985 229 E CA 0.954 57.347 56.400 -0.011 0.000 0.814 229 E CB -0.152 29.527 29.700 -0.034 0.000 0.752 229 E HN 0.570 nan 8.360 nan 0.000 0.466 230 V N 0.724 120.635 119.914 -0.005 0.000 2.295 230 V HA -0.280 3.881 4.120 0.069 0.000 0.246 230 V C 2.119 178.220 176.094 0.012 0.000 1.049 230 V CA 2.239 64.541 62.300 0.003 0.000 1.024 230 V CB -0.775 31.050 31.823 0.003 0.000 0.648 230 V HN 0.350 nan 8.190 nan 0.000 0.447 231 T N -0.567 113.994 114.554 0.011 0.000 2.746 231 T HA -0.221 4.170 4.350 0.069 0.000 0.267 231 T C 1.772 176.487 174.700 0.024 0.000 1.039 231 T CA 1.709 63.818 62.100 0.016 0.000 1.142 231 T CB -0.397 68.477 68.868 0.011 0.000 0.866 231 T HN 0.526 nan 8.240 nan 0.000 0.444 232 D N 1.032 121.443 120.400 0.020 0.000 2.092 232 D HA -0.099 4.582 4.640 0.069 0.000 0.193 232 D C 2.185 178.516 176.300 0.052 0.000 0.994 232 D CA 0.900 54.919 54.000 0.030 0.000 0.828 232 D CB -0.525 40.287 40.800 0.021 0.000 0.963 232 D HN 0.180 nan 8.370 nan 0.000 0.450 233 V N 1.199 121.128 119.914 0.024 0.000 2.332 233 V HA -0.264 3.897 4.120 0.069 0.000 0.248 233 V C 2.283 178.435 176.094 0.097 0.000 1.055 233 V CA 1.846 64.165 62.300 0.031 0.000 1.038 233 V CB -0.655 31.166 31.823 -0.003 0.000 0.651 233 V HN 0.247 nan 8.190 nan 0.000 0.450 234 N N 0.410 119.148 118.700 0.064 0.000 2.069 234 N HA -0.158 4.623 4.740 0.069 0.000 0.191 234 N C 1.944 177.498 175.510 0.073 0.000 1.031 234 N CA 1.494 54.581 53.050 0.061 0.000 0.852 234 N CB -0.368 38.141 38.487 0.037 0.000 1.018 234 N HN 0.497 nan 8.380 nan 0.000 0.423 235 R N -0.750 119.793 120.500 0.073 0.000 2.193 235 R HA -0.039 4.343 4.340 0.069 0.000 0.213 235 R C 1.836 178.186 176.300 0.084 0.000 1.055 235 R CA 0.326 56.463 56.100 0.062 0.000 0.995 235 R CB -0.232 30.094 30.300 0.044 0.000 0.893 235 R HN 0.352 nan 8.270 nan 0.000 0.459 236 Y N 1.688 121.979 120.300 -0.014 0.000 2.133 236 Y HA -0.154 4.436 4.550 0.066 0.000 0.287 236 Y C 2.090 177.983 175.900 -0.011 0.000 1.134 236 Y CA 1.461 59.545 58.100 -0.027 0.000 1.133 236 Y CB 0.088 38.517 38.460 -0.053 0.000 0.987 236 Y HN -0.192 nan 8.280 nan 0.000 0.502 237 R N -0.057 120.553 120.500 0.183 0.000 2.189 237 R HA -0.103 4.278 4.340 0.069 0.000 0.223 237 R C 2.434 178.742 176.300 0.013 0.000 1.092 237 R CA 1.214 57.363 56.100 0.081 0.000 0.989 237 R CB -0.488 29.888 30.300 0.126 0.000 0.876 237 R HN 0.488 nan 8.270 nan 0.000 0.457 238 S N -0.861 114.850 115.700 0.019 0.000 2.481 238 S HA 0.032 4.543 4.470 0.069 0.000 0.231 238 S C 1.519 176.120 174.600 0.002 0.000 0.996 238 S CA 0.893 59.100 58.200 0.012 0.000 0.942 238 S CB 0.439 63.649 63.200 0.017 0.000 0.768 238 S HN 0.503 nan 8.310 nan 0.000 0.520 239 G N 0.806 109.592 108.800 -0.023 0.000 2.253 239 G HA2 -0.257 3.744 3.960 0.069 0.000 0.209 239 G HA3 -0.257 3.744 3.960 0.069 0.000 0.209 239 G C 0.653 175.557 174.900 0.007 0.000 0.997 239 G CA 0.436 45.539 45.100 0.005 0.000 0.640 239 G HN 0.508 nan 8.290 nan 0.000 0.496 240 E N -0.023 120.176 120.200 -0.003 0.000 2.072 240 E HA 0.093 4.484 4.350 0.069 0.000 0.191 240 E C 0.845 177.445 176.600 0.001 0.000 0.985 240 E CA 0.535 56.937 56.400 0.004 0.000 0.801 240 E CB -0.037 29.668 29.700 0.007 0.000 0.750 240 E HN 0.593 nan 8.360 nan 0.000 0.452 241 I N 1.775 122.341 120.570 -0.006 0.000 2.336 241 I HA 0.053 4.265 4.170 0.069 0.000 0.292 241 I C 0.334 176.428 176.117 -0.038 0.000 0.991 241 I CA -0.539 60.768 61.300 0.012 0.000 1.227 241 I CB 1.531 39.583 38.000 0.087 0.000 1.366 241 I HN 0.007 nan 8.210 nan 0.000 0.466 242 D N 5.587 125.973 120.400 -0.023 0.000 2.240 242 D HA 0.125 4.806 4.640 0.069 0.000 0.206 242 D C 0.278 176.574 176.300 -0.006 0.000 0.963 242 D CA 1.376 55.331 54.000 -0.075 0.000 0.863 242 D CB 0.512 41.300 40.800 -0.020 0.000 0.973 242 D HN 0.421 nan 8.370 nan 0.000 0.501 243 M N 0.814 120.421 119.600 0.012 0.000 2.165 243 M HA 0.147 4.668 4.480 0.069 0.000 0.283 243 M C -0.236 176.039 176.300 -0.041 0.000 0.978 243 M CA -0.447 54.821 55.300 -0.053 0.000 0.948 243 M CB 2.640 35.114 32.600 -0.210 0.000 1.599 243 M HN -0.212 nan 8.290 nan 0.000 0.450 244 T N -0.460 114.039 114.554 -0.090 0.000 2.726 244 T HA 0.264 4.655 4.350 0.069 0.000 0.294 244 T C -0.177 174.494 174.700 -0.049 0.000 1.013 244 T CA -0.238 61.816 62.100 -0.076 0.000 0.996 244 T CB 0.922 69.680 68.868 -0.183 0.000 1.016 244 T HN 0.477 nan 8.240 nan 0.000 0.529 245 Y N 1.723 121.952 120.300 -0.119 0.000 2.281 245 Y HA 0.267 4.860 4.550 0.071 0.000 0.337 245 Y C 1.044 176.875 175.900 -0.114 0.000 1.304 245 Y CA -1.004 57.029 58.100 -0.112 0.000 1.465 245 Y CB 0.514 38.915 38.460 -0.098 0.000 1.350 245 Y HN 0.810 nan 8.280 nan 0.000 0.575 246 N N 2.299 120.473 118.700 -0.876 0.000 3.131 246 N HA 0.142 4.923 4.740 0.069 0.000 0.312 246 N C -1.765 173.510 175.510 -0.392 0.000 1.433 246 N CA -0.266 52.462 53.050 -0.537 0.000 1.141 246 N CB -0.672 37.532 38.487 -0.473 0.000 1.431 246 N HN 0.368 nan 8.380 nan 0.000 0.523 247 N N 0.846 119.418 118.700 -0.215 0.000 2.399 247 N HA 0.345 5.126 4.740 0.069 0.000 0.284 247 N C -0.825 174.638 175.510 -0.077 0.000 1.025 247 N CA -0.279 52.750 53.050 -0.034 0.000 0.885 247 N CB 1.461 40.008 38.487 0.099 0.000 1.339 247 N HN 0.199 nan 8.380 nan 0.000 0.487 248 M N 2.493 122.004 119.600 -0.148 0.000 2.404 248 M HA 0.468 4.989 4.480 0.069 0.000 0.338 248 M C -2.331 173.880 176.300 -0.148 0.000 1.150 248 M CA -2.202 53.001 55.300 -0.161 0.000 1.016 248 M CB 1.717 34.135 32.600 -0.303 0.000 1.672 248 M HN 0.172 nan 8.290 nan 0.000 0.448 249 P HA 0.222 nan 4.420 nan 0.000 0.276 249 P C 0.631 177.914 177.300 -0.028 0.000 1.235 249 P CA -0.047 63.025 63.100 -0.048 0.000 0.772 249 P CB 0.833 32.525 31.700 -0.013 0.000 0.871 250 I N 2.123 122.660 120.570 -0.055 0.000 2.286 250 I HA -0.278 3.933 4.170 0.069 0.000 0.248 250 I C 2.080 178.201 176.117 0.006 0.000 1.115 250 I CA 1.606 62.885 61.300 -0.036 0.000 1.392 250 I CB -0.381 37.581 38.000 -0.064 0.000 1.065 250 I HN 0.337 nan 8.210 nan 0.000 0.418 251 E N 0.638 120.837 120.200 -0.001 0.000 2.097 251 E HA -0.197 4.195 4.350 0.069 0.000 0.196 251 E C 1.958 178.570 176.600 0.020 0.000 1.000 251 E CA 1.396 57.799 56.400 0.005 0.000 0.804 251 E CB -0.084 29.616 29.700 0.000 0.000 0.740 251 E HN 0.473 nan 8.360 nan 0.000 0.454 252 L N -1.287 119.959 121.223 0.038 0.000 2.609 252 L HA 0.177 4.559 4.340 0.069 0.000 0.230 252 L C 1.657 178.564 176.870 0.063 0.000 1.087 252 L CA -0.302 54.561 54.840 0.037 0.000 0.874 252 L CB -0.017 42.059 42.059 0.028 0.000 1.114 252 L HN 0.068 nan 8.230 nan 0.000 0.488 253 F N 1.949 121.861 119.950 -0.064 0.000 2.065 253 F HA -0.272 4.295 4.527 0.066 0.000 0.298 253 F C 2.665 178.426 175.800 -0.064 0.000 1.112 253 F CA 1.791 59.747 58.000 -0.073 0.000 1.212 253 F CB -0.047 38.903 39.000 -0.082 0.000 0.975 253 F HN 0.065 nan 8.300 nan 0.000 0.476 254 Q N 0.651 120.431 119.800 -0.033 0.000 2.112 254 Q HA -0.252 4.129 4.340 0.069 0.000 0.206 254 Q C 2.328 178.218 176.000 -0.183 0.000 0.987 254 Q CA 1.745 57.462 55.803 -0.143 0.000 0.858 254 Q CB -0.868 27.847 28.738 -0.038 0.000 0.905 254 Q HN 0.444 nan 8.270 nan 0.000 0.420 255 K N 0.773 121.104 120.400 -0.115 0.000 2.057 255 K HA -0.095 4.266 4.320 0.069 0.000 0.207 255 K C 2.191 178.709 176.600 -0.138 0.000 1.049 255 K CA 0.769 56.997 56.287 -0.099 0.000 0.931 255 K CB -0.123 32.344 32.500 -0.054 0.000 0.714 255 K HN 0.200 nan 8.250 nan 0.000 0.440 256 L N 0.767 121.880 121.223 -0.183 0.000 2.083 256 L HA -0.183 4.199 4.340 0.069 0.000 0.209 256 L C 2.478 179.190 176.870 -0.263 0.000 1.083 256 L CA 1.330 56.050 54.840 -0.201 0.000 0.752 256 L CB -0.324 41.615 42.059 -0.200 0.000 0.899 256 L HN 0.128 nan 8.230 nan 0.000 0.433 257 K N -0.067 120.089 120.400 -0.407 0.000 2.097 257 K HA -0.147 4.214 4.320 0.069 0.000 0.206 257 K C 2.069 178.548 176.600 -0.202 0.000 1.049 257 K CA 1.014 57.089 56.287 -0.354 0.000 0.933 257 K CB 0.047 32.280 32.500 -0.444 0.000 0.717 257 K HN 0.213 nan 8.250 nan 0.000 0.442 258 K N 0.685 120.985 120.400 -0.168 0.000 2.186 258 K HA -0.040 4.321 4.320 0.069 0.000 0.202 258 K C 1.756 178.306 176.600 -0.084 0.000 1.052 258 K CA 1.010 57.232 56.287 -0.107 0.000 0.965 258 K CB 0.148 32.596 32.500 -0.087 0.000 0.746 258 K HN 0.292 nan 8.250 nan 0.000 0.457 259 E N 0.738 120.886 120.200 -0.087 0.000 2.140 259 E HA 0.040 4.431 4.350 0.069 0.000 0.191 259 E C 0.982 177.552 176.600 -0.050 0.000 0.973 259 E CA 0.658 57.024 56.400 -0.057 0.000 0.829 259 E CB 0.277 29.950 29.700 -0.045 0.000 0.781 259 E HN 0.305 nan 8.360 nan 0.000 0.466 260 I N -2.549 117.981 120.570 -0.067 0.000 2.933 260 I HA 0.264 4.475 4.170 0.069 0.000 0.306 260 I C -2.358 173.714 176.117 -0.075 0.000 1.516 260 I CA -1.713 59.557 61.300 -0.051 0.000 0.819 260 I CB 1.127 39.115 38.000 -0.020 0.000 2.085 260 I HN -0.231 nan 8.210 nan 0.000 0.621 261 P HA -0.194 nan 4.420 nan 0.000 0.216 261 P C 0.926 178.183 177.300 -0.071 0.000 1.154 261 P CA 1.651 64.697 63.100 -0.090 0.000 0.865 261 P CB 0.047 31.703 31.700 -0.074 0.000 0.789 262 N N -0.156 118.511 118.700 -0.055 0.000 2.364 262 N HA -0.117 4.664 4.740 0.069 0.000 0.183 262 N C 1.565 177.043 175.510 -0.054 0.000 1.022 262 N CA 0.946 53.968 53.050 -0.046 0.000 0.883 262 N CB -0.385 38.080 38.487 -0.037 0.000 0.965 262 N HN 0.440 nan 8.380 nan 0.000 0.438 263 E N -0.311 119.852 120.200 -0.061 0.000 2.415 263 E HA 0.099 4.490 4.350 0.069 0.000 0.197 263 E C -0.236 176.309 176.600 -0.092 0.000 1.007 263 E CA -0.035 56.326 56.400 -0.065 0.000 0.890 263 E CB 0.727 30.415 29.700 -0.020 0.000 0.891 263 E HN -0.034 nan 8.360 nan 0.000 0.496 264 V N 4.011 123.870 119.914 -0.092 0.000 2.352 264 V HA 0.090 4.251 4.120 0.069 0.000 0.253 264 V C 0.093 176.166 176.094 -0.035 0.000 1.083 264 V CA -0.135 62.115 62.300 -0.083 0.000 0.993 264 V CB -0.035 31.712 31.823 -0.126 0.000 1.111 264 V HN 0.118 nan 8.190 nan 0.000 0.490 265 R N 3.985 124.474 120.500 -0.018 0.000 2.254 265 R HA 0.568 4.949 4.340 0.069 0.000 0.318 265 R C -0.801 175.512 176.300 0.022 0.000 1.031 265 R CA -0.466 55.643 56.100 0.014 0.000 0.905 265 R CB 1.535 31.884 30.300 0.082 0.000 1.050 265 R HN 0.401 nan 8.270 nan 0.000 0.456 266 V N 4.185 124.108 119.914 0.016 0.000 2.447 266 V HA 0.334 4.495 4.120 0.069 0.000 0.292 266 V C -0.386 175.703 176.094 -0.008 0.000 1.021 266 V CA -0.658 61.655 62.300 0.022 0.000 0.850 266 V CB 1.891 33.752 31.823 0.063 0.000 1.005 266 V HN 0.686 nan 8.190 nan 0.000 0.426 267 D N 4.621 125.006 120.400 -0.024 0.000 2.552 267 D HA 0.479 5.160 4.640 0.069 0.000 0.239 267 D C -2.849 173.451 176.300 0.000 0.000 1.139 267 D CA -1.434 52.544 54.000 -0.037 0.000 0.914 267 D CB 2.961 43.712 40.800 -0.083 0.000 1.461 267 D HN 0.194 nan 8.370 nan 0.000 0.462 268 P HA 0.065 nan 4.420 nan 0.000 0.267 268 P C -0.974 176.458 177.300 0.221 0.000 1.200 268 P CA 0.232 63.364 63.100 0.054 0.000 0.772 268 P CB 0.281 31.978 31.700 -0.005 0.000 0.855 269 Y N 1.609 122.016 120.300 0.178 0.000 2.441 269 Y HA 0.322 4.915 4.550 0.071 0.000 0.334 269 Y C -0.883 175.179 175.900 0.271 0.000 1.061 269 Y CA -1.247 56.959 58.100 0.178 0.000 1.032 269 Y CB 1.272 39.816 38.460 0.140 0.000 1.266 269 Y HN 0.144 nan 8.280 nan 0.000 0.441 270 L N 6.038 127.375 121.223 0.190 0.000 2.480 270 L HA 0.320 4.701 4.340 0.069 0.000 0.243 270 L C -0.848 175.963 176.870 -0.098 0.000 1.315 270 L CA 0.214 55.043 54.840 -0.019 0.000 1.231 270 L CB -0.628 41.411 42.059 -0.032 0.000 1.444 270 L HN 0.536 nan 8.230 nan 0.000 0.409 271 c N -0.537 117.990 118.600 -0.122 0.000 2.898 271 c HA 0.679 5.290 4.570 0.069 0.000 0.304 271 c C 0.336 174.624 174.090 0.330 0.000 1.237 271 c CA -0.674 55.594 56.329 -0.101 0.000 1.529 271 c CB 2.189 44.154 42.510 -0.909 0.000 2.021 271 c HN 0.445 nan 8.230 nan 0.000 0.474 272 T N 1.206 116.047 114.554 0.478 0.000 2.824 272 T HA 0.397 4.789 4.350 0.069 0.000 0.282 272 T C -1.183 173.880 174.700 0.605 0.000 0.993 272 T CA -0.157 62.256 62.100 0.522 0.000 0.967 272 T CB 0.779 69.875 68.868 0.379 0.000 0.960 272 T HN 0.589 nan 8.240 nan 0.000 0.441 273 Y N 4.612 124.978 120.300 0.110 0.000 2.327 273 Y HA 0.553 5.143 4.550 0.067 0.000 0.336 273 Y C -0.583 175.226 175.900 -0.152 0.000 1.035 273 Y CA -0.463 57.479 58.100 -0.263 0.000 1.165 273 Y CB 0.465 38.083 38.460 -1.404 0.000 1.181 273 Y HN 0.763 nan 8.280 nan 0.000 0.494 274 Y N 2.276 122.426 120.300 -0.251 0.000 2.670 274 Y HA 0.532 5.122 4.550 0.068 0.000 0.334 274 Y C -2.315 173.341 175.900 -0.407 0.000 1.185 274 Y CA -2.050 55.948 58.100 -0.170 0.000 1.053 274 Y CB 0.868 39.317 38.460 -0.018 0.000 1.298 274 Y HN 0.416 nan 8.280 nan 0.000 0.459 275 Y N 1.377 121.792 120.300 0.191 0.000 2.353 275 Y HA 0.278 4.870 4.550 0.070 0.000 0.340 275 Y C 0.173 176.166 175.900 0.155 0.000 0.972 275 Y CA -0.634 57.535 58.100 0.115 0.000 1.157 275 Y CB 1.439 40.054 38.460 0.258 0.000 1.157 275 Y HN 0.635 nan 8.280 nan 0.000 0.495 276 E N 4.709 124.972 120.200 0.105 0.000 2.180 276 E HA 0.289 4.680 4.350 0.069 0.000 0.283 276 E C -0.946 175.775 176.600 0.202 0.000 1.061 276 E CA -0.271 56.229 56.400 0.165 0.000 0.861 276 E CB 0.493 30.204 29.700 0.018 0.000 1.056 276 E HN 0.612 nan 8.360 nan 0.000 0.407 277 I N 4.137 124.759 120.570 0.087 0.000 2.396 277 I HA 0.074 4.285 4.170 0.069 0.000 0.292 277 I C 0.448 176.481 176.117 -0.141 0.000 0.999 277 I CA -0.713 60.526 61.300 -0.103 0.000 1.310 277 I CB 1.037 38.956 38.000 -0.136 0.000 1.404 277 I HN 0.503 nan 8.210 nan 0.000 0.496 278 N N 5.625 124.048 118.700 -0.461 0.000 2.448 278 N HA 0.065 4.846 4.740 0.069 0.000 0.250 278 N C 0.455 175.833 175.510 -0.221 0.000 1.136 278 N CA 0.330 53.047 53.050 -0.556 0.000 0.953 278 N CB 0.077 37.830 38.487 -1.224 0.000 1.251 278 N HN 0.504 nan 8.380 nan 0.000 0.502 279 N N 1.880 120.546 118.700 -0.057 0.000 2.512 279 N HA -0.149 4.632 4.740 0.069 0.000 0.183 279 N C 0.693 176.204 175.510 0.002 0.000 1.073 279 N CA 0.562 53.622 53.050 0.016 0.000 0.911 279 N CB 0.307 38.849 38.487 0.092 0.000 0.964 279 N HN 0.754 nan 8.380 nan 0.000 0.447 280 Q N 0.646 120.421 119.800 -0.042 0.000 2.280 280 Q HA 0.140 4.521 4.340 0.069 0.000 0.201 280 Q C 0.151 176.105 176.000 -0.076 0.000 0.890 280 Q CA 0.110 55.879 55.803 -0.056 0.000 0.947 280 Q CB 0.254 28.953 28.738 -0.065 0.000 1.081 280 Q HN -0.021 nan 8.270 nan 0.000 0.502 281 K N 1.173 121.534 120.400 -0.064 0.000 2.358 281 K HA 0.571 4.932 4.320 0.069 0.000 0.260 281 K C -0.940 175.669 176.600 0.015 0.000 0.956 281 K CA -0.545 55.722 56.287 -0.033 0.000 0.834 281 K CB 1.505 33.973 32.500 -0.053 0.000 1.102 281 K HN 0.202 nan 8.250 nan 0.000 0.431 282 A N 4.813 127.604 122.820 -0.049 0.000 2.498 282 A HA 0.204 4.565 4.320 0.069 0.000 0.239 282 A C -1.701 175.752 177.584 -0.218 0.000 1.068 282 A CA -0.905 51.060 52.037 -0.119 0.000 0.766 282 A CB -0.085 18.864 19.000 -0.085 0.000 1.003 282 A HN 0.753 nan 8.150 nan 0.000 0.497 283 P HA 0.131 nan 4.420 nan 0.000 0.261 283 P C 0.227 177.212 177.300 -0.525 0.000 1.352 283 P CA 0.318 63.168 63.100 -0.417 0.000 0.891 283 P CB -0.059 31.453 31.700 -0.314 0.000 1.383 284 F N 1.613 121.474 119.950 -0.148 0.000 2.802 284 F HA -0.018 4.550 4.527 0.069 0.000 0.300 284 F C 1.861 177.585 175.800 -0.126 0.000 1.168 284 F CA 0.288 58.176 58.000 -0.187 0.000 1.433 284 F CB -0.802 38.045 39.000 -0.254 0.000 1.115 284 F HN 0.039 nan 8.300 nan 0.000 0.582 285 N N -0.749 117.946 118.700 -0.009 0.000 2.461 285 N HA -0.093 4.688 4.740 0.069 0.000 0.188 285 N C -0.249 175.248 175.510 -0.021 0.000 1.134 285 N CA 0.342 53.386 53.050 -0.010 0.000 0.878 285 N CB -0.399 38.073 38.487 -0.025 0.000 0.972 285 N HN 0.103 nan 8.380 nan 0.000 0.456 286 D N 0.625 121.001 120.400 -0.041 0.000 2.317 286 D HA 0.042 4.723 4.640 0.069 0.000 0.234 286 D C 0.933 177.222 176.300 -0.018 0.000 1.112 286 D CA -0.476 53.505 54.000 -0.032 0.000 0.840 286 D CB 2.012 42.789 40.800 -0.039 0.000 1.078 286 D HN -0.154 nan 8.370 nan 0.000 0.486 287 V N 5.854 125.767 119.914 -0.002 0.000 2.568 287 V HA -0.241 3.920 4.120 0.069 0.000 0.253 287 V C 2.089 178.177 176.094 -0.010 0.000 1.072 287 V CA 1.816 64.118 62.300 0.002 0.000 1.084 287 V CB -0.197 31.637 31.823 0.018 0.000 0.676 287 V HN 0.528 nan 8.190 nan 0.000 0.469 288 R N -0.715 119.781 120.500 -0.006 0.000 2.096 288 R HA -0.100 4.281 4.340 0.069 0.000 0.235 288 R C 2.151 178.432 176.300 -0.031 0.000 1.127 288 R CA 1.611 57.708 56.100 -0.005 0.000 0.968 288 R CB -0.587 29.721 30.300 0.014 0.000 0.861 288 R HN 0.504 nan 8.270 nan 0.000 0.440 289 V N 1.277 121.162 119.914 -0.049 0.000 2.307 289 V HA -0.223 3.939 4.120 0.069 0.000 0.245 289 V C 2.307 178.328 176.094 -0.121 0.000 1.045 289 V CA 1.717 63.946 62.300 -0.119 0.000 1.024 289 V CB -0.511 31.198 31.823 -0.189 0.000 0.651 289 V HN 0.302 nan 8.190 nan 0.000 0.449 290 R N 0.050 120.509 120.500 -0.068 0.000 2.081 290 R HA -0.141 4.240 4.340 0.069 0.000 0.235 290 R C 2.368 178.616 176.300 -0.085 0.000 1.131 290 R CA 1.932 57.994 56.100 -0.062 0.000 0.960 290 R CB -0.992 29.291 30.300 -0.029 0.000 0.856 290 R HN 0.487 nan 8.270 nan 0.000 0.436 291 T N 1.261 115.767 114.554 -0.080 0.000 2.746 291 T HA -0.149 4.242 4.350 0.069 0.000 0.267 291 T C 2.037 176.668 174.700 -0.114 0.000 1.039 291 T CA 1.444 63.479 62.100 -0.108 0.000 1.142 291 T CB -0.277 68.548 68.868 -0.070 0.000 0.866 291 T HN 0.408 nan 8.240 nan 0.000 0.444 292 A N 1.413 124.179 122.820 -0.090 0.000 1.865 292 A HA -0.041 4.320 4.320 0.069 0.000 0.217 292 A C 2.330 179.856 177.584 -0.097 0.000 1.191 292 A CA 1.354 53.342 52.037 -0.081 0.000 0.623 292 A CB -0.956 17.982 19.000 -0.102 0.000 0.826 292 A HN 0.474 nan 8.150 nan 0.000 0.444 293 L N -0.630 120.481 121.223 -0.187 0.000 2.042 293 L HA -0.228 4.154 4.340 0.069 0.000 0.210 293 L C 2.696 179.675 176.870 0.182 0.000 1.076 293 L CA 2.046 56.741 54.840 -0.242 0.000 0.749 293 L CB -0.453 41.334 42.059 -0.453 0.000 0.893 293 L HN 0.519 nan 8.230 nan 0.000 0.432 294 K N 0.681 121.106 120.400 0.042 0.000 2.026 294 K HA -0.177 4.184 4.320 0.069 0.000 0.208 294 K C 2.120 178.648 176.600 -0.119 0.000 1.048 294 K CA 1.350 57.630 56.287 -0.011 0.000 0.929 294 K CB -0.055 32.329 32.500 -0.193 0.000 0.713 294 K HN 0.249 nan 8.250 nan 0.000 0.439 295 L N 0.250 121.364 121.223 -0.181 0.000 2.109 295 L HA -0.050 4.331 4.340 0.069 0.000 0.207 295 L C 2.517 179.441 176.870 0.090 0.000 1.086 295 L CA 0.951 55.707 54.840 -0.140 0.000 0.760 295 L CB -0.366 41.644 42.059 -0.081 0.000 0.910 295 L HN 0.254 nan 8.230 nan 0.000 0.437 296 A N -0.205 122.724 122.820 0.183 0.000 2.119 296 A HA 0.004 4.365 4.320 0.069 0.000 0.216 296 A C 1.211 178.977 177.584 0.304 0.000 1.152 296 A CA 0.055 52.249 52.037 0.263 0.000 0.708 296 A CB -0.342 18.830 19.000 0.286 0.000 0.805 296 A HN 0.301 nan 8.150 nan 0.000 0.460 297 L N 0.809 122.231 121.223 0.331 0.000 2.410 297 L HA 0.136 4.517 4.340 0.069 0.000 0.273 297 L C -0.605 176.321 176.870 0.092 0.000 1.144 297 L CA -0.353 54.530 54.840 0.073 0.000 0.863 297 L CB 0.505 42.591 42.059 0.044 0.000 1.140 297 L HN 0.113 nan 8.230 nan 0.000 0.463 298 D N 4.783 125.204 120.400 0.035 0.000 2.456 298 D HA 0.139 4.820 4.640 0.069 0.000 0.219 298 D C 1.081 177.417 176.300 0.060 0.000 1.126 298 D CA -0.191 53.848 54.000 0.065 0.000 0.890 298 D CB 0.807 41.631 40.800 0.040 0.000 1.025 298 D HN 0.558 nan 8.370 nan 0.000 0.511 299 R N 2.170 122.742 120.500 0.120 0.000 2.120 299 R HA -0.139 4.243 4.340 0.069 0.000 0.234 299 R C 1.410 177.756 176.300 0.076 0.000 1.123 299 R CA 1.315 57.492 56.100 0.128 0.000 0.975 299 R CB 0.025 30.468 30.300 0.238 0.000 0.866 299 R HN 0.387 nan 8.270 nan 0.000 0.446 300 D N 0.681 121.114 120.400 0.056 0.000 2.117 300 D HA -0.130 4.552 4.640 0.069 0.000 0.197 300 D C 1.698 178.001 176.300 0.004 0.000 0.987 300 D CA 1.161 55.174 54.000 0.023 0.000 0.829 300 D CB 0.061 40.865 40.800 0.008 0.000 0.961 300 D HN 0.139 nan 8.370 nan 0.000 0.460 301 I N 0.103 120.674 120.570 0.002 0.000 2.179 301 I HA -0.227 3.984 4.170 0.069 0.000 0.242 301 I C 2.333 178.430 176.117 -0.034 0.000 1.088 301 I CA 0.755 62.045 61.300 -0.016 0.000 1.357 301 I CB -0.254 37.736 38.000 -0.018 0.000 1.051 301 I HN 0.143 nan 8.210 nan 0.000 0.409 302 I N 0.078 120.630 120.570 -0.031 0.000 2.142 302 I HA -0.261 3.950 4.170 0.069 0.000 0.240 302 I C 2.486 178.552 176.117 -0.085 0.000 1.078 302 I CA 1.384 62.654 61.300 -0.051 0.000 1.343 302 I CB -0.303 37.686 38.000 -0.018 0.000 1.046 302 I HN 0.010 nan 8.210 nan 0.000 0.405 303 V N 0.934 120.808 119.914 -0.067 0.000 2.379 303 V HA -0.187 3.974 4.120 0.069 0.000 0.245 303 V C 1.926 177.945 176.094 -0.125 0.000 1.044 303 V CA 1.768 63.984 62.300 -0.140 0.000 1.036 303 V CB -0.685 31.098 31.823 -0.067 0.000 0.664 303 V HN 0.436 nan 8.190 nan 0.000 0.453 304 N N -0.332 118.329 118.700 -0.066 0.000 2.387 304 N HA 0.005 4.786 4.740 0.069 0.000 0.176 304 N C 1.774 177.256 175.510 -0.047 0.000 1.022 304 N CA 0.678 53.698 53.050 -0.050 0.000 0.883 304 N CB 0.059 38.531 38.487 -0.025 0.000 1.019 304 N HN 0.344 nan 8.380 nan 0.000 0.435 305 K N 0.355 120.727 120.400 -0.046 0.000 2.108 305 K HA 0.190 4.551 4.320 0.069 0.000 0.204 305 K C 2.050 178.619 176.600 -0.051 0.000 1.036 305 K CA 0.383 56.646 56.287 -0.040 0.000 0.965 305 K CB -0.593 31.888 32.500 -0.031 0.000 0.804 305 K HN -0.152 nan 8.250 nan 0.000 0.454 306 V N 1.230 121.105 119.914 -0.066 0.000 2.283 306 V HA -0.158 4.003 4.120 0.069 0.000 0.243 306 V C 2.282 178.317 176.094 -0.099 0.000 1.039 306 V CA 1.745 63.999 62.300 -0.076 0.000 1.016 306 V CB -0.283 31.491 31.823 -0.082 0.000 0.650 306 V HN 0.250 nan 8.190 nan 0.000 0.449 307 K N -0.019 120.295 120.400 -0.144 0.000 2.063 307 K HA -0.009 4.352 4.320 0.069 0.000 0.204 307 K C 0.952 177.450 176.600 -0.171 0.000 1.039 307 K CA 0.909 57.075 56.287 -0.202 0.000 0.957 307 K CB 0.031 32.328 32.500 -0.339 0.000 0.764 307 K HN 0.414 nan 8.250 nan 0.000 0.447 308 N N 1.268 119.870 118.700 -0.162 0.000 2.688 308 N HA -0.183 4.598 4.740 0.069 0.000 0.258 308 N C -0.872 174.608 175.510 -0.050 0.000 1.016 308 N CA 0.809 53.804 53.050 -0.091 0.000 0.747 308 N CB -0.938 37.530 38.487 -0.031 0.000 0.895 308 N HN 0.473 nan 8.380 nan 0.000 0.543 309 Q N -0.734 118.961 119.800 -0.175 0.000 2.149 309 Q HA 0.339 4.720 4.340 0.069 0.000 0.221 309 Q C 1.300 177.245 176.000 -0.093 0.000 0.807 309 Q CA 0.250 55.937 55.803 -0.192 0.000 1.000 309 Q CB 0.665 28.973 28.738 -0.716 0.000 1.157 309 Q HN 0.551 nan 8.270 nan 0.000 0.487 310 G N 0.975 109.722 108.800 -0.088 0.000 2.168 310 G HA2 -0.161 3.840 3.960 0.069 0.000 0.197 310 G HA3 -0.161 3.840 3.960 0.069 0.000 0.197 310 G C -0.257 174.597 174.900 -0.077 0.000 0.997 310 G CA -0.361 44.710 45.100 -0.049 0.000 0.658 310 G HN 0.275 nan 8.290 nan 0.000 0.513 311 D N 0.340 120.625 120.400 -0.190 0.000 2.361 311 D HA 0.421 5.102 4.640 0.069 0.000 0.239 311 D C 0.408 176.687 176.300 -0.036 0.000 1.200 311 D CA 0.180 54.074 54.000 -0.178 0.000 0.915 311 D CB 1.184 41.581 40.800 -0.671 0.000 1.170 311 D HN 0.011 nan 8.370 nan 0.000 0.444 312 L N 1.957 123.255 121.223 0.126 0.000 2.329 312 L HA 0.316 4.697 4.340 0.069 0.000 0.279 312 L C -2.253 174.728 176.870 0.186 0.000 1.014 312 L CA -2.053 52.909 54.840 0.204 0.000 0.814 312 L CB 1.282 43.545 42.059 0.341 0.000 1.257 312 L HN 0.014 nan 8.230 nan 0.000 0.424 313 P HA 0.088 nan 4.420 nan 0.000 0.264 313 P C -0.793 176.554 177.300 0.078 0.000 1.183 313 P CA -0.092 63.150 63.100 0.237 0.000 0.763 313 P CB 0.641 32.585 31.700 0.406 0.000 0.807 314 A N 3.429 126.126 122.820 -0.206 0.000 2.324 314 A HA 0.572 4.933 4.320 0.069 0.000 0.330 314 A C -0.302 177.098 177.584 -0.306 0.000 1.165 314 A CA -0.470 51.133 52.037 -0.723 0.000 0.813 314 A CB 0.424 18.805 19.000 -1.032 0.000 1.197 314 A HN 0.671 nan 8.150 nan 0.000 0.484 315 Y N 0.202 120.284 120.300 -0.362 0.000 2.610 315 Y HA 0.476 5.067 4.550 0.069 0.000 0.254 315 Y C 0.277 176.126 175.900 -0.085 0.000 1.110 315 Y CA -0.161 57.717 58.100 -0.370 0.000 1.238 315 Y CB -0.428 37.325 38.460 -1.179 0.000 1.322 315 Y HN 0.662 nan 8.280 nan 0.000 0.547 316 S N -1.759 113.758 115.700 -0.304 0.000 2.685 316 S HA 0.356 4.868 4.470 0.069 0.000 0.282 316 S C -0.354 174.231 174.600 -0.025 0.000 1.159 316 S CA -0.511 57.620 58.200 -0.114 0.000 0.833 316 S CB 1.438 64.500 63.200 -0.229 0.000 1.151 316 S HN 0.118 nan 8.310 nan 0.000 0.485 317 Y N 1.855 122.042 120.300 -0.188 0.000 2.205 317 Y HA 0.308 4.901 4.550 0.071 0.000 0.292 317 Y C 1.122 176.812 175.900 -0.350 0.000 1.119 317 Y CA 1.110 59.076 58.100 -0.222 0.000 1.117 317 Y CB -0.825 37.498 38.460 -0.228 0.000 1.037 317 Y HN 0.716 nan 8.280 nan 0.000 0.510 318 T N 5.232 119.460 114.554 -0.543 0.000 2.888 318 T HA 0.144 4.536 4.350 0.069 0.000 0.301 318 T C -2.591 171.547 174.700 -0.937 0.000 1.001 318 T CA -0.867 60.582 62.100 -1.084 0.000 1.147 318 T CB 0.750 69.243 68.868 -0.626 0.000 0.931 318 T HN 0.082 nan 8.240 nan 0.000 0.541 319 P HA 0.123 nan 4.420 nan 0.000 0.268 319 P C -1.777 174.874 177.300 -1.082 0.000 1.204 319 P CA -1.416 60.935 63.100 -1.249 0.000 0.768 319 P CB 0.207 31.063 31.700 -1.406 0.000 0.842 320 P HA -0.131 nan 4.420 nan 0.000 0.225 320 P C 0.512 177.657 177.300 -0.258 0.000 1.148 320 P CA 1.495 64.327 63.100 -0.447 0.000 0.779 320 P CB -0.427 31.136 31.700 -0.230 0.000 0.780 321 Y N -2.912 117.206 120.300 -0.304 0.000 2.524 321 Y HA 0.411 5.000 4.550 0.066 0.000 0.266 321 Y C 0.414 176.217 175.900 -0.160 0.000 1.180 321 Y CA -0.860 57.131 58.100 -0.181 0.000 1.244 321 Y CB -1.415 36.959 38.460 -0.143 0.000 1.125 321 Y HN -0.335 nan 8.280 nan 0.000 0.524 322 T N 2.146 116.442 114.554 -0.430 0.000 2.930 322 T HA -0.088 4.304 4.350 0.069 0.000 0.306 322 T C -0.145 174.461 174.700 -0.155 0.000 1.045 322 T CA -0.182 61.729 62.100 -0.315 0.000 1.134 322 T CB 0.367 68.977 68.868 -0.430 0.000 0.961 322 T HN 0.289 nan 8.240 nan 0.000 0.545 323 D N 1.176 121.524 120.400 -0.087 0.000 2.412 323 D HA 0.216 4.897 4.640 0.069 0.000 0.257 323 D C 1.272 177.546 176.300 -0.043 0.000 1.217 323 D CA 1.338 55.320 54.000 -0.029 0.000 0.897 323 D CB -0.172 40.633 40.800 0.008 0.000 1.132 323 D HN 0.857 nan 8.370 nan 0.000 0.493 324 G N 2.525 111.321 108.800 -0.007 0.000 2.195 324 G HA2 -0.112 3.890 3.960 0.069 0.000 0.224 324 G HA3 -0.112 3.890 3.960 0.069 0.000 0.224 324 G C 0.315 175.242 174.900 0.045 0.000 0.990 324 G CA 0.148 45.271 45.100 0.039 0.000 0.639 324 G HN 0.901 nan 8.290 nan 0.000 0.514 325 A N 0.095 122.891 122.820 -0.040 0.000 2.320 325 A HA 0.778 5.139 4.320 0.069 0.000 0.287 325 A C 0.271 177.841 177.584 -0.023 0.000 1.181 325 A CA 0.559 52.559 52.037 -0.062 0.000 0.831 325 A CB 0.852 19.736 19.000 -0.192 0.000 1.102 325 A HN 0.769 nan 8.150 nan 0.000 0.513 326 K N 3.704 124.109 120.400 0.008 0.000 2.920 326 K HA 0.448 4.809 4.320 0.069 0.000 0.175 326 K C -1.247 175.363 176.600 0.016 0.000 1.099 326 K CA -0.030 56.264 56.287 0.011 0.000 0.939 326 K CB -0.189 32.321 32.500 0.016 0.000 1.148 326 K HN 0.662 nan 8.250 nan 0.000 0.613 327 L N 1.607 122.840 121.223 0.018 0.000 2.399 327 L HA 0.491 4.872 4.340 0.069 0.000 0.266 327 L C -0.066 176.824 176.870 0.034 0.000 1.114 327 L CA -1.445 53.423 54.840 0.045 0.000 0.804 327 L CB 1.504 43.612 42.059 0.081 0.000 1.146 327 L HN 0.006 nan 8.230 nan 0.000 0.451 328 V N 1.414 121.336 119.914 0.014 0.000 2.364 328 V HA 0.105 4.267 4.120 0.069 0.000 0.272 328 V C 0.330 176.322 176.094 -0.171 0.000 1.036 328 V CA -0.528 61.736 62.300 -0.060 0.000 0.880 328 V CB 1.195 32.995 31.823 -0.038 0.000 0.991 328 V HN 0.740 nan 8.190 nan 0.000 0.460 329 E N 8.263 128.241 120.200 -0.369 0.000 2.299 329 E HA 0.178 4.569 4.350 0.069 0.000 0.272 329 E C -2.137 174.153 176.600 -0.518 0.000 1.043 329 E CA -1.433 54.480 56.400 -0.813 0.000 0.895 329 E CB 0.937 30.150 29.700 -0.812 0.000 1.011 329 E HN 0.462 nan 8.360 nan 0.000 0.432 330 P HA -0.007 nan 4.420 nan 0.000 0.272 330 P C 0.165 177.160 177.300 -0.508 0.000 1.223 330 P CA -0.108 62.707 63.100 -0.475 0.000 0.784 330 P CB 0.873 32.230 31.700 -0.573 0.000 0.923 331 E N 1.408 121.413 120.200 -0.325 0.000 2.110 331 E HA -0.134 4.258 4.350 0.069 0.000 0.193 331 E C 1.885 178.109 176.600 -0.627 0.000 0.988 331 E CA 1.286 57.526 56.400 -0.266 0.000 0.804 331 E CB -0.520 29.171 29.700 -0.014 0.000 0.745 331 E HN 0.712 nan 8.360 nan 0.000 0.458 332 W N -0.134 120.617 121.300 -0.915 0.000 2.364 332 W HA -0.159 4.543 4.660 0.069 0.000 0.281 332 W C 1.610 177.810 176.519 -0.532 0.000 1.219 332 W CA 0.250 56.733 57.345 -1.436 0.000 1.220 332 W CB -1.079 27.741 29.460 -1.067 0.000 1.127 332 W HN -0.051 nan 8.180 nan 0.000 0.556 333 F N 2.778 122.201 119.950 -0.877 0.000 2.407 333 F HA 0.024 4.592 4.527 0.069 0.000 0.299 333 F C 2.142 177.807 175.800 -0.225 0.000 1.097 333 F CA 1.481 59.103 58.000 -0.630 0.000 1.422 333 F CB -0.177 38.253 39.000 -0.950 0.000 1.067 333 F HN -0.244 nan 8.300 nan 0.000 0.539 334 K N -0.963 119.321 120.400 -0.194 0.000 2.361 334 K HA -0.048 4.314 4.320 0.069 0.000 0.196 334 K C 0.323 176.989 176.600 0.111 0.000 1.039 334 K CA -0.079 56.159 56.287 -0.081 0.000 1.001 334 K CB -0.136 32.356 32.500 -0.013 0.000 0.795 334 K HN 0.045 nan 8.250 nan 0.000 0.495 335 W N 2.428 123.746 121.300 0.030 0.000 2.005 335 W HA -0.003 4.699 4.660 0.070 0.000 0.358 335 W C 1.252 177.789 176.519 0.029 0.000 1.343 335 W CA -1.063 56.317 57.345 0.059 0.000 1.355 335 W CB -0.507 29.028 29.460 0.126 0.000 1.263 335 W HN -0.047 nan 8.180 nan 0.000 0.643 336 S N -0.069 115.801 115.700 0.284 0.000 2.652 336 S HA 0.110 4.621 4.470 0.069 0.000 0.270 336 S C 0.732 175.446 174.600 0.190 0.000 1.243 336 S CA -0.420 57.873 58.200 0.156 0.000 0.999 336 S CB 1.498 64.751 63.200 0.087 0.000 0.973 336 S HN 0.392 nan 8.310 nan 0.000 0.544 337 Q N 0.762 120.641 119.800 0.132 0.000 2.167 337 Q HA -0.157 4.225 4.340 0.069 0.000 0.202 337 Q C 2.244 178.326 176.000 0.136 0.000 0.970 337 Q CA 2.236 58.126 55.803 0.145 0.000 0.855 337 Q CB -0.659 28.139 28.738 0.100 0.000 0.911 337 Q HN 0.961 nan 8.270 nan 0.000 0.438 338 Q N 0.179 120.037 119.800 0.096 0.000 2.084 338 Q HA -0.207 4.174 4.340 0.069 0.000 0.202 338 Q C 1.928 177.968 176.000 0.068 0.000 0.978 338 Q CA 2.190 58.035 55.803 0.069 0.000 0.844 338 Q CB -0.401 28.361 28.738 0.040 0.000 0.898 338 Q HN 0.357 nan 8.270 nan 0.000 0.426 339 K N 0.067 120.509 120.400 0.070 0.000 2.057 339 K HA -0.114 4.247 4.320 0.069 0.000 0.206 339 K C 2.297 178.978 176.600 0.136 0.000 1.050 339 K CA 1.116 57.404 56.287 0.002 0.000 0.935 339 K CB -0.029 32.404 32.500 -0.112 0.000 0.715 339 K HN 0.213 nan 8.250 nan 0.000 0.439 340 R N 0.359 121.070 120.500 0.352 0.000 2.081 340 R HA -0.087 4.294 4.340 0.069 0.000 0.235 340 R C 2.076 178.517 176.300 0.236 0.000 1.131 340 R CA 1.605 57.965 56.100 0.434 0.000 0.960 340 R CB -0.308 30.221 30.300 0.382 0.000 0.856 340 R HN 0.289 nan 8.270 nan 0.000 0.436 341 N N 0.590 119.389 118.700 0.164 0.000 2.084 341 N HA -0.158 4.623 4.740 0.069 0.000 0.190 341 N C 1.615 177.177 175.510 0.086 0.000 1.030 341 N CA 1.144 54.264 53.050 0.117 0.000 0.849 341 N CB -0.248 38.297 38.487 0.096 0.000 1.012 341 N HN 0.162 nan 8.380 nan 0.000 0.423 342 E N 0.910 121.148 120.200 0.063 0.000 2.058 342 E HA -0.195 4.196 4.350 0.069 0.000 0.194 342 E C 1.887 178.511 176.600 0.040 0.000 0.997 342 E CA 0.871 57.290 56.400 0.032 0.000 0.801 342 E CB -0.348 29.349 29.700 -0.006 0.000 0.746 342 E HN 0.416 nan 8.360 nan 0.000 0.450 343 E N 0.940 121.177 120.200 0.062 0.000 2.058 343 E HA -0.151 4.240 4.350 0.069 0.000 0.194 343 E C 1.885 178.541 176.600 0.093 0.000 0.997 343 E CA 1.575 58.033 56.400 0.097 0.000 0.801 343 E CB -0.340 29.494 29.700 0.223 0.000 0.746 343 E HN 0.190 nan 8.360 nan 0.000 0.450 344 A N 0.892 123.769 122.820 0.095 0.000 1.865 344 A HA -0.256 4.105 4.320 0.069 0.000 0.217 344 A C 2.127 179.732 177.584 0.035 0.000 1.191 344 A CA 2.110 54.180 52.037 0.054 0.000 0.623 344 A CB -0.571 18.466 19.000 0.062 0.000 0.826 344 A HN 0.250 nan 8.150 nan 0.000 0.444 345 K N -0.462 119.963 120.400 0.043 0.000 2.063 345 K HA -0.187 4.174 4.320 0.069 0.000 0.208 345 K C 2.240 178.863 176.600 0.038 0.000 1.048 345 K CA 1.644 57.953 56.287 0.036 0.000 0.928 345 K CB -0.183 32.340 32.500 0.038 0.000 0.713 345 K HN 0.538 nan 8.250 nan 0.000 0.442 346 K N 1.377 121.799 120.400 0.036 0.000 2.032 346 K HA -0.153 4.208 4.320 0.069 0.000 0.209 346 K C 2.084 178.707 176.600 0.038 0.000 1.048 346 K CA 1.213 57.520 56.287 0.033 0.000 0.927 346 K CB -0.080 32.438 32.500 0.029 0.000 0.712 346 K HN 0.046 nan 8.250 nan 0.000 0.441 347 L N 0.845 122.092 121.223 0.040 0.000 2.056 347 L HA -0.179 4.202 4.340 0.069 0.000 0.207 347 L C 2.481 179.382 176.870 0.051 0.000 1.078 347 L CA 0.894 55.757 54.840 0.038 0.000 0.749 347 L CB -0.316 41.760 42.059 0.029 0.000 0.901 347 L HN 0.266 nan 8.230 nan 0.000 0.433 348 L N -0.571 120.684 121.223 0.053 0.000 2.056 348 L HA -0.192 4.189 4.340 0.069 0.000 0.207 348 L C 2.854 179.827 176.870 0.171 0.000 1.078 348 L CA 1.239 56.145 54.840 0.111 0.000 0.749 348 L CB -0.640 41.440 42.059 0.035 0.000 0.901 348 L HN 0.276 nan 8.230 nan 0.000 0.433 349 A N -0.051 122.827 122.820 0.097 0.000 1.908 349 A HA -0.241 4.120 4.320 0.069 0.000 0.218 349 A C 2.058 179.666 177.584 0.040 0.000 1.181 349 A CA 1.707 53.786 52.037 0.069 0.000 0.627 349 A CB -0.440 18.585 19.000 0.043 0.000 0.818 349 A HN 0.468 nan 8.150 nan 0.000 0.445 350 E N -0.430 119.791 120.200 0.036 0.000 2.204 350 E HA -0.048 4.343 4.350 0.069 0.000 0.194 350 E C 1.954 178.556 176.600 0.004 0.000 0.989 350 E CA 0.761 57.170 56.400 0.015 0.000 0.824 350 E CB -0.216 29.495 29.700 0.019 0.000 0.756 350 E HN 0.623 nan 8.360 nan 0.000 0.477 351 A N 0.063 122.908 122.820 0.042 0.000 2.235 351 A HA 0.223 4.584 4.320 0.069 0.000 0.208 351 A C 1.682 179.173 177.584 -0.154 0.000 1.172 351 A CA 0.905 52.957 52.037 0.026 0.000 0.786 351 A CB -0.123 18.988 19.000 0.185 0.000 0.804 351 A HN 0.344 nan 8.150 nan 0.000 0.479 352 G N -2.347 106.339 108.800 -0.190 0.000 2.184 352 G HA2 -0.184 3.817 3.960 0.069 0.000 0.206 352 G HA3 -0.184 3.817 3.960 0.069 0.000 0.206 352 G C -0.070 174.525 174.900 -0.509 0.000 0.995 352 G CA -0.172 44.708 45.100 -0.368 0.000 0.651 352 G HN 0.298 nan 8.290 nan 0.000 0.511 353 F N 2.133 122.058 119.950 -0.042 0.000 2.394 353 F HA 0.642 5.210 4.527 0.069 0.000 0.340 353 F C 1.133 176.919 175.800 -0.023 0.000 1.105 353 F CA 0.545 58.524 58.000 -0.035 0.000 1.124 353 F CB 1.784 40.760 39.000 -0.040 0.000 1.145 353 F HN 0.226 nan 8.300 nan 0.000 0.505 354 T N -1.105 113.536 114.554 0.145 0.000 2.742 354 T HA 0.654 5.045 4.350 0.069 0.000 0.282 354 T C 0.737 175.486 174.700 0.082 0.000 1.025 354 T CA -0.334 61.815 62.100 0.080 0.000 1.020 354 T CB 1.353 70.238 68.868 0.028 0.000 1.317 354 T HN 0.515 nan 8.240 nan 0.000 0.538 355 A N -0.005 122.845 122.820 0.051 0.000 1.930 355 A HA -0.025 4.337 4.320 0.069 0.000 0.217 355 A C 1.973 179.580 177.584 0.039 0.000 1.175 355 A CA 1.779 53.841 52.037 0.042 0.000 0.627 355 A CB -1.068 17.949 19.000 0.028 0.000 0.815 355 A HN 0.932 nan 8.150 nan 0.000 0.443 356 D N -0.134 120.285 120.400 0.032 0.000 2.234 356 D HA -0.056 4.626 4.640 0.069 0.000 0.205 356 D C 0.044 176.365 176.300 0.034 0.000 0.962 356 D CA 0.881 54.896 54.000 0.025 0.000 0.855 356 D CB 0.098 40.905 40.800 0.012 0.000 0.951 356 D HN 0.499 nan 8.370 nan 0.000 0.500 357 K N 1.164 121.594 120.400 0.050 0.000 2.842 357 K HA 0.351 4.712 4.320 0.069 0.000 0.176 357 K C -2.817 173.891 176.600 0.181 0.000 1.080 357 K CA -1.618 54.712 56.287 0.073 0.000 0.954 357 K CB 1.901 34.410 32.500 0.015 0.000 1.203 357 K HN -0.034 nan 8.250 nan 0.000 0.611 358 P HA 0.126 nan 4.420 nan 0.000 0.275 358 P C -0.377 177.041 177.300 0.196 0.000 1.266 358 P CA -0.817 62.388 63.100 0.176 0.000 0.793 358 P CB 0.721 32.462 31.700 0.068 0.000 1.074 359 L N 0.421 121.604 121.223 -0.067 0.000 2.265 359 L HA 0.471 4.852 4.340 0.069 0.000 0.288 359 L C -0.605 176.230 176.870 -0.058 0.000 1.058 359 L CA 0.596 55.251 54.840 -0.308 0.000 0.809 359 L CB 0.310 41.845 42.059 -0.874 0.000 1.179 359 L HN 0.261 nan 8.230 nan 0.000 0.429 360 T N 6.561 121.144 114.554 0.049 0.000 2.848 360 T HA 0.761 5.152 4.350 0.069 0.000 0.285 360 T C -0.968 173.843 174.700 0.185 0.000 0.995 360 T CA -0.119 61.996 62.100 0.025 0.000 0.970 360 T CB 0.895 69.777 68.868 0.023 0.000 0.976 360 T HN 0.514 nan 8.240 nan 0.000 0.441 361 F N -0.373 119.617 119.950 0.067 0.000 2.779 361 F HA 0.679 5.247 4.527 0.068 0.000 0.316 361 F C -1.452 174.419 175.800 0.120 0.000 1.164 361 F CA -1.355 56.728 58.000 0.138 0.000 0.924 361 F CB 0.738 39.926 39.000 0.314 0.000 1.348 361 F HN 0.245 nan 8.300 nan 0.000 0.467 362 D N 1.408 122.039 120.400 0.385 0.000 2.253 362 D HA 0.472 5.153 4.640 0.069 0.000 0.249 362 D C -1.238 175.269 176.300 0.345 0.000 1.049 362 D CA -0.118 54.030 54.000 0.247 0.000 0.929 362 D CB 2.455 43.389 40.800 0.223 0.000 1.176 362 D HN 0.527 nan 8.370 nan 0.000 0.437 363 L N 2.432 123.811 121.223 0.258 0.000 2.388 363 L HA 0.290 4.671 4.340 0.069 0.000 0.267 363 L C -1.409 175.664 176.870 0.337 0.000 0.995 363 L CA -0.782 54.253 54.840 0.324 0.000 0.864 363 L CB 1.144 43.358 42.059 0.259 0.000 1.216 363 L HN 0.213 nan 8.230 nan 0.000 0.430 364 L N 6.324 127.747 121.223 0.333 0.000 2.326 364 L HA 0.627 5.008 4.340 0.069 0.000 0.278 364 L C -1.043 176.046 176.870 0.364 0.000 1.092 364 L CA 0.067 55.075 54.840 0.280 0.000 0.810 364 L CB 0.828 43.025 42.059 0.230 0.000 1.153 364 L HN 0.606 nan 8.230 nan 0.000 0.439 365 Y N 2.467 122.808 120.300 0.068 0.000 2.597 365 Y HA 0.554 5.145 4.550 0.068 0.000 0.340 365 Y C -0.862 174.703 175.900 -0.559 0.000 1.097 365 Y CA -1.527 56.452 58.100 -0.202 0.000 1.037 365 Y CB 0.780 39.218 38.460 -0.036 0.000 1.305 365 Y HN 0.717 nan 8.280 nan 0.000 0.463 366 N N 0.820 118.922 118.700 -0.996 0.000 2.488 366 N HA 0.097 4.878 4.740 0.069 0.000 0.274 366 N C -0.613 174.837 175.510 -0.100 0.000 1.111 366 N CA -0.278 52.353 53.050 -0.698 0.000 0.974 366 N CB 1.251 39.355 38.487 -0.638 0.000 1.089 366 N HN 0.806 nan 8.380 nan 0.000 0.465 367 T N 1.359 115.842 114.554 -0.117 0.000 2.718 367 T HA 0.050 4.441 4.350 0.069 0.000 0.265 367 T C 0.324 175.112 174.700 0.147 0.000 1.014 367 T CA 0.647 62.768 62.100 0.034 0.000 1.172 367 T CB -0.433 68.432 68.868 -0.006 0.000 1.007 367 T HN 0.750 nan 8.240 nan 0.000 0.500 368 S N 1.634 117.468 115.700 0.223 0.000 2.675 368 S HA 0.158 4.669 4.470 0.069 0.000 0.297 368 S C 0.249 174.883 174.600 0.056 0.000 1.035 368 S CA -0.780 57.480 58.200 0.100 0.000 0.852 368 S CB 1.474 64.719 63.200 0.075 0.000 1.051 368 S HN 0.616 nan 8.310 nan 0.000 0.451 369 D N 1.689 122.081 120.400 -0.014 0.000 2.149 369 D HA -0.063 4.618 4.640 0.069 0.000 0.201 369 D C 1.851 178.102 176.300 -0.080 0.000 0.972 369 D CA 1.402 55.387 54.000 -0.025 0.000 0.835 369 D CB 0.070 40.857 40.800 -0.023 0.000 0.966 369 D HN 0.475 nan 8.370 nan 0.000 0.476 370 L N 1.155 122.289 121.223 -0.149 0.000 1.989 370 L HA -0.181 4.200 4.340 0.069 0.000 0.211 370 L C 2.262 179.034 176.870 -0.164 0.000 1.071 370 L CA 1.894 56.616 54.840 -0.197 0.000 0.749 370 L CB -0.897 40.992 42.059 -0.284 0.000 0.890 370 L HN 0.115 nan 8.230 nan 0.000 0.431 371 H N -0.334 118.745 119.070 0.016 0.000 2.423 371 H HA -0.126 4.471 4.556 0.068 0.000 0.297 371 H C 2.170 177.270 175.328 -0.379 0.000 1.075 371 H CA 1.512 57.542 56.048 -0.030 0.000 1.342 371 H CB -0.204 29.610 29.762 0.087 0.000 1.395 371 H HN 0.457 nan 8.280 nan 0.000 0.530 372 K N 1.641 121.832 120.400 -0.348 0.000 2.026 372 K HA -0.120 4.241 4.320 0.069 0.000 0.208 372 K C 2.059 178.495 176.600 -0.273 0.000 1.048 372 K CA 1.247 57.200 56.287 -0.556 0.000 0.929 372 K CB 0.161 32.576 32.500 -0.142 0.000 0.713 372 K HN 0.075 nan 8.250 nan 0.000 0.439 373 K N 0.516 120.827 120.400 -0.148 0.000 2.063 373 K HA -0.136 4.226 4.320 0.069 0.000 0.208 373 K C 2.185 178.724 176.600 -0.101 0.000 1.048 373 K CA 1.668 57.893 56.287 -0.104 0.000 0.928 373 K CB -0.207 32.243 32.500 -0.083 0.000 0.713 373 K HN 0.194 nan 8.250 nan 0.000 0.442 374 L N 0.366 121.540 121.223 -0.083 0.000 2.046 374 L HA -0.174 4.208 4.340 0.069 0.000 0.208 374 L C 2.582 179.429 176.870 -0.039 0.000 1.077 374 L CA 1.140 55.954 54.840 -0.042 0.000 0.747 374 L CB -0.544 41.523 42.059 0.014 0.000 0.896 374 L HN 0.191 nan 8.230 nan 0.000 0.432 375 A N 0.094 122.866 122.820 -0.079 0.000 1.930 375 A HA -0.138 4.223 4.320 0.069 0.000 0.217 375 A C 2.225 179.728 177.584 -0.135 0.000 1.175 375 A CA 1.300 53.272 52.037 -0.108 0.000 0.627 375 A CB -0.590 18.286 19.000 -0.207 0.000 0.815 375 A HN 0.346 nan 8.150 nan 0.000 0.443 376 I N -0.305 120.188 120.570 -0.129 0.000 2.226 376 I HA -0.277 3.935 4.170 0.069 0.000 0.245 376 I C 2.976 179.036 176.117 -0.096 0.000 1.100 376 I CA 1.041 62.287 61.300 -0.090 0.000 1.374 376 I CB -0.308 37.650 38.000 -0.070 0.000 1.057 376 I HN 0.361 nan 8.210 nan 0.000 0.413 377 A N 0.352 123.108 122.820 -0.106 0.000 1.877 377 A HA -0.153 4.208 4.320 0.069 0.000 0.216 377 A C 2.428 179.910 177.584 -0.170 0.000 1.186 377 A CA 1.718 53.689 52.037 -0.111 0.000 0.620 377 A CB -0.983 17.957 19.000 -0.099 0.000 0.822 377 A HN 0.231 nan 8.150 nan 0.000 0.443 378 V N -0.083 119.681 119.914 -0.251 0.000 2.343 378 V HA -0.265 3.896 4.120 0.069 0.000 0.247 378 V C 3.064 178.901 176.094 -0.428 0.000 1.051 378 V CA 1.957 63.959 62.300 -0.496 0.000 1.036 378 V CB -1.238 30.141 31.823 -0.741 0.000 0.654 378 V HN 0.628 nan 8.190 nan 0.000 0.451 379 A N -0.684 122.003 122.820 -0.222 0.000 1.908 379 A HA -0.261 4.100 4.320 0.069 0.000 0.218 379 A C 2.574 180.147 177.584 -0.018 0.000 1.181 379 A CA 2.395 54.398 52.037 -0.058 0.000 0.627 379 A CB -0.826 18.147 19.000 -0.046 0.000 0.818 379 A HN 0.502 nan 8.150 nan 0.000 0.445 380 S N -0.514 115.155 115.700 -0.052 0.000 2.355 380 S HA -0.108 4.404 4.470 0.069 0.000 0.222 380 S C 1.926 176.521 174.600 -0.007 0.000 1.031 380 S CA 1.376 59.562 58.200 -0.024 0.000 0.993 380 S CB -0.523 62.656 63.200 -0.036 0.000 0.859 380 S HN 0.475 nan 8.310 nan 0.000 0.453 381 I N 0.018 120.555 120.570 -0.055 0.000 2.179 381 I HA -0.171 4.040 4.170 0.069 0.000 0.242 381 I C 2.220 178.384 176.117 0.080 0.000 1.088 381 I CA 1.134 62.412 61.300 -0.037 0.000 1.357 381 I CB -0.378 37.541 38.000 -0.135 0.000 1.051 381 I HN 0.423 nan 8.210 nan 0.000 0.409 382 W N 1.457 122.742 121.300 -0.025 0.000 2.388 382 W HA -0.162 4.539 4.660 0.069 0.000 0.294 382 W C 2.670 179.175 176.519 -0.024 0.000 1.212 382 W CA 1.024 58.358 57.345 -0.018 0.000 1.271 382 W CB -0.742 28.705 29.460 -0.022 0.000 1.126 382 W HN 0.099 nan 8.180 nan 0.000 0.535 383 K N 1.154 121.666 120.400 0.186 0.000 2.026 383 K HA -0.184 4.177 4.320 0.069 0.000 0.208 383 K C 2.033 178.677 176.600 0.074 0.000 1.048 383 K CA 1.850 58.190 56.287 0.089 0.000 0.929 383 K CB -0.606 31.922 32.500 0.046 0.000 0.713 383 K HN -0.109 nan 8.250 nan 0.000 0.439 384 K N -0.187 120.255 120.400 0.070 0.000 2.025 384 K HA -0.096 4.265 4.320 0.069 0.000 0.207 384 K C 1.517 178.158 176.600 0.068 0.000 1.049 384 K CA 1.638 57.958 56.287 0.055 0.000 0.933 384 K CB -0.119 32.405 32.500 0.041 0.000 0.714 384 K HN 0.145 nan 8.250 nan 0.000 0.438 385 N N 0.440 119.199 118.700 0.098 0.000 2.300 385 N HA -0.094 4.687 4.740 0.069 0.000 0.179 385 N C 1.234 176.806 175.510 0.103 0.000 1.016 385 N CA 0.731 53.846 53.050 0.107 0.000 0.876 385 N CB 0.161 38.735 38.487 0.144 0.000 0.979 385 N HN 0.160 nan 8.380 nan 0.000 0.432 386 L N -1.448 119.841 121.223 0.110 0.000 3.086 386 L HA 0.428 4.809 4.340 0.069 0.000 0.274 386 L C 0.683 177.571 176.870 0.029 0.000 1.184 386 L CA 0.407 55.283 54.840 0.061 0.000 1.002 386 L CB 0.047 42.132 42.059 0.043 0.000 1.383 386 L HN 0.187 nan 8.230 nan 0.000 0.582 387 G N 0.788 109.612 108.800 0.041 0.000 2.198 387 G HA2 -0.215 3.786 3.960 0.069 0.000 0.260 387 G HA3 -0.215 3.786 3.960 0.069 0.000 0.260 387 G C 0.175 175.074 174.900 -0.001 0.000 1.025 387 G CA 0.518 45.632 45.100 0.024 0.000 0.769 387 G HN 0.864 nan 8.290 nan 0.000 0.507 388 V N -2.814 117.095 119.914 -0.009 0.000 2.612 388 V HA 0.798 4.960 4.120 0.069 0.000 0.301 388 V C -0.022 176.028 176.094 -0.073 0.000 1.046 388 V CA -1.745 60.517 62.300 -0.063 0.000 0.946 388 V CB 1.916 33.679 31.823 -0.101 0.000 1.003 388 V HN 0.189 nan 8.190 nan 0.000 0.459 389 N N 2.464 121.084 118.700 -0.133 0.000 2.400 389 N HA 0.654 5.435 4.740 0.069 0.000 0.288 389 N C -0.605 174.710 175.510 -0.325 0.000 1.024 389 N CA -0.262 52.700 53.050 -0.147 0.000 0.894 389 N CB 2.138 40.575 38.487 -0.083 0.000 1.173 389 N HN 0.983 nan 8.380 nan 0.000 0.487 390 V N -0.093 119.653 119.914 -0.280 0.000 2.823 390 V HA 0.602 4.764 4.120 0.069 0.000 0.312 390 V C -0.482 175.523 176.094 -0.148 0.000 1.072 390 V CA -1.030 61.034 62.300 -0.393 0.000 0.937 390 V CB 1.863 33.426 31.823 -0.433 0.000 1.013 390 V HN 0.504 nan 8.190 nan 0.000 0.430 391 N N 3.378 122.021 118.700 -0.094 0.000 2.444 391 N HA 0.625 5.406 4.740 0.069 0.000 0.262 391 N C -1.054 174.494 175.510 0.064 0.000 0.974 391 N CA -0.543 52.509 53.050 0.002 0.000 0.933 391 N CB 1.569 40.070 38.487 0.023 0.000 1.137 391 N HN 0.629 nan 8.380 nan 0.000 0.498 392 L N 2.192 123.471 121.223 0.094 0.000 2.397 392 L HA 0.249 4.630 4.340 0.069 0.000 0.271 392 L C 0.161 177.138 176.870 0.178 0.000 1.148 392 L CA 0.525 55.480 54.840 0.192 0.000 0.825 392 L CB 0.426 42.626 42.059 0.235 0.000 1.117 392 L HN 0.529 nan 8.230 nan 0.000 0.456 393 E N 2.673 122.977 120.200 0.173 0.000 2.278 393 E HA 0.301 4.693 4.350 0.069 0.000 0.272 393 E C -1.183 175.247 176.600 -0.285 0.000 0.890 393 E CA -0.797 55.609 56.400 0.010 0.000 0.770 393 E CB 1.631 31.358 29.700 0.045 0.000 1.212 393 E HN 0.577 nan 8.360 nan 0.000 0.415 394 N N 2.762 121.200 118.700 -0.437 0.000 2.456 394 N HA 0.283 5.064 4.740 0.069 0.000 0.296 394 N C -0.697 174.608 175.510 -0.342 0.000 1.102 394 N CA -0.578 51.992 53.050 -0.799 0.000 0.924 394 N CB 2.020 40.064 38.487 -0.739 0.000 1.186 394 N HN 0.432 nan 8.380 nan 0.000 0.492 395 Q N 0.210 119.838 119.800 -0.287 0.000 2.359 395 Q HA 0.241 4.623 4.340 0.069 0.000 0.274 395 Q C -0.948 175.020 176.000 -0.054 0.000 1.074 395 Q CA -0.845 54.902 55.803 -0.093 0.000 0.810 395 Q CB 2.314 31.066 28.738 0.023 0.000 1.342 395 Q HN 0.537 nan 8.270 nan 0.000 0.427 396 E N 1.096 121.305 120.200 0.015 0.000 2.422 396 E HA -0.129 4.262 4.350 0.069 0.000 0.260 396 E C 0.508 177.217 176.600 0.181 0.000 1.108 396 E CA 0.148 56.595 56.400 0.079 0.000 0.943 396 E CB 0.460 30.207 29.700 0.078 0.000 0.961 396 E HN 0.733 nan 8.360 nan 0.000 0.443 397 W N 3.068 124.376 121.300 0.013 0.000 2.290 397 W HA -0.366 4.336 4.660 0.070 0.000 0.328 397 W C 1.898 178.508 176.519 0.151 0.000 1.272 397 W CA 2.199 59.598 57.345 0.091 0.000 1.262 397 W CB -0.062 29.422 29.460 0.040 0.000 1.151 397 W HN 0.581 nan 8.180 nan 0.000 0.473 398 K N -0.430 120.032 120.400 0.103 0.000 2.097 398 K HA -0.178 4.183 4.320 0.069 0.000 0.206 398 K C 1.963 178.528 176.600 -0.058 0.000 1.049 398 K CA 2.318 58.572 56.287 -0.056 0.000 0.933 398 K CB -0.416 32.119 32.500 0.058 0.000 0.717 398 K HN 0.020 nan 8.250 nan 0.000 0.442 399 T N 0.757 115.322 114.554 0.019 0.000 2.777 399 T HA -0.136 4.255 4.350 0.069 0.000 0.266 399 T C 1.351 176.056 174.700 0.008 0.000 1.040 399 T CA 1.255 63.364 62.100 0.015 0.000 1.141 399 T CB -0.410 68.482 68.868 0.038 0.000 0.868 399 T HN 0.295 nan 8.240 nan 0.000 0.444 400 F N 2.192 122.055 119.950 -0.145 0.000 2.091 400 F HA -0.099 4.468 4.527 0.068 0.000 0.299 400 F C 1.857 177.481 175.800 -0.293 0.000 1.103 400 F CA 1.176 59.054 58.000 -0.202 0.000 1.228 400 F CB -0.634 38.264 39.000 -0.171 0.000 0.984 400 F HN 0.067 nan 8.300 nan 0.000 0.477 401 L N -0.366 120.581 121.223 -0.460 0.000 2.093 401 L HA -0.183 4.198 4.340 0.069 0.000 0.208 401 L C 2.164 178.882 176.870 -0.253 0.000 1.085 401 L CA 1.349 55.860 54.840 -0.548 0.000 0.755 401 L CB -0.937 40.811 42.059 -0.518 0.000 0.904 401 L HN 0.057 nan 8.230 nan 0.000 0.435 402 D N -0.302 120.011 120.400 -0.145 0.000 2.117 402 D HA -0.139 4.542 4.640 0.069 0.000 0.197 402 D C 2.204 178.474 176.300 -0.050 0.000 0.987 402 D CA 1.520 55.495 54.000 -0.041 0.000 0.829 402 D CB -0.194 40.585 40.800 -0.035 0.000 0.961 402 D HN 0.205 nan 8.370 nan 0.000 0.460 403 T N 0.821 115.305 114.554 -0.118 0.000 2.684 403 T HA -0.143 4.248 4.350 0.069 0.000 0.267 403 T C 2.013 176.623 174.700 -0.150 0.000 1.036 403 T CA 1.097 63.138 62.100 -0.098 0.000 1.148 403 T CB -0.046 68.757 68.868 -0.108 0.000 0.863 403 T HN 0.155 nan 8.240 nan 0.000 0.436 404 R N -0.029 120.202 120.500 -0.447 0.000 2.075 404 R HA -0.044 4.337 4.340 0.069 0.000 0.232 404 R C 2.506 178.753 176.300 -0.089 0.000 1.126 404 R CA 1.130 56.879 56.100 -0.584 0.000 0.963 404 R CB -0.324 29.409 30.300 -0.945 0.000 0.858 404 R HN 0.508 nan 8.270 nan 0.000 0.435 405 H N 0.699 119.729 119.070 -0.066 0.000 2.387 405 H HA -0.085 4.511 4.556 0.068 0.000 0.299 405 H C 1.957 177.380 175.328 0.158 0.000 1.090 405 H CA 1.371 57.444 56.048 0.041 0.000 1.332 405 H CB 0.155 29.891 29.762 -0.043 0.000 1.386 405 H HN 0.356 nan 8.280 nan 0.000 0.516 406 Q N -0.392 119.523 119.800 0.192 0.000 2.224 406 Q HA -0.017 4.364 4.340 0.069 0.000 0.203 406 Q C 1.162 177.199 176.000 0.060 0.000 0.970 406 Q CA 0.728 56.602 55.803 0.118 0.000 0.865 406 Q CB 0.334 29.115 28.738 0.071 0.000 0.922 406 Q HN 0.633 nan 8.270 nan 0.000 0.445 407 G N 1.357 110.237 108.800 0.134 0.000 2.160 407 G HA2 -0.253 3.748 3.960 0.069 0.000 0.244 407 G HA3 -0.253 3.748 3.960 0.069 0.000 0.244 407 G C 0.290 175.212 174.900 0.037 0.000 1.022 407 G CA 0.470 45.524 45.100 -0.078 0.000 0.741 407 G HN 0.392 nan 8.290 nan 0.000 0.508 408 T N -1.167 113.506 114.554 0.199 0.000 3.419 408 T HA 0.605 4.996 4.350 0.069 0.000 0.228 408 T C 0.095 174.937 174.700 0.237 0.000 0.939 408 T CA 0.103 62.281 62.100 0.130 0.000 0.992 408 T CB -0.739 68.179 68.868 0.082 0.000 1.186 408 T HN 1.552 nan 8.240 nan 0.000 0.612 409 F N -1.867 118.057 119.950 -0.044 0.000 2.779 409 F HA 0.716 5.284 4.527 0.069 0.000 0.316 409 F C -0.877 174.890 175.800 -0.054 0.000 1.164 409 F CA -1.248 56.735 58.000 -0.028 0.000 0.924 409 F CB 0.778 39.752 39.000 -0.043 0.000 1.348 409 F HN -0.162 nan 8.300 nan 0.000 0.467 410 D N 0.439 120.821 120.400 -0.029 0.000 3.032 410 D HA 0.284 4.965 4.640 0.069 0.000 0.280 410 D C -0.454 175.490 176.300 -0.593 0.000 1.381 410 D CA 1.030 54.800 54.000 -0.384 0.000 1.068 410 D CB 0.812 41.587 40.800 -0.042 0.000 1.148 410 D HN 0.231 nan 8.370 nan 0.000 0.401 411 V N 0.583 120.463 119.914 -0.057 0.000 2.709 411 V HA 0.745 4.906 4.120 0.069 0.000 0.308 411 V C -0.793 175.535 176.094 0.391 0.000 1.062 411 V CA -0.897 61.469 62.300 0.111 0.000 0.901 411 V CB 1.841 33.710 31.823 0.076 0.000 1.003 411 V HN 0.312 nan 8.190 nan 0.000 0.425 412 A N 4.101 127.130 122.820 0.347 0.000 2.386 412 A HA 0.895 5.256 4.320 0.069 0.000 0.311 412 A C -0.295 177.414 177.584 0.207 0.000 1.068 412 A CA -0.938 51.221 52.037 0.203 0.000 0.743 412 A CB 1.408 20.248 19.000 -0.265 0.000 1.258 412 A HN 1.062 nan 8.150 nan 0.000 0.429 413 R N 0.808 121.461 120.500 0.254 0.000 2.694 413 R HA 0.658 5.039 4.340 0.069 0.000 0.268 413 R C -0.113 175.982 176.300 -0.342 0.000 1.061 413 R CA 0.744 56.757 56.100 -0.146 0.000 1.133 413 R CB 0.404 30.611 30.300 -0.154 0.000 1.020 413 R HN 1.453 nan 8.270 nan 0.000 0.475 414 A N 0.721 123.042 122.820 -0.832 0.000 2.612 414 A HA 0.773 5.135 4.320 0.069 0.000 0.293 414 A C -0.991 176.053 177.584 -0.900 0.000 1.075 414 A CA -0.486 51.047 52.037 -0.841 0.000 0.680 414 A CB 1.901 20.158 19.000 -1.238 0.000 1.279 414 A HN 1.041 nan 8.150 nan 0.000 0.411 415 G N -0.010 108.588 108.800 -0.336 0.000 2.741 415 G HA2 0.531 4.532 3.960 0.069 0.000 0.293 415 G HA3 0.531 4.532 3.960 0.069 0.000 0.293 415 G C -1.333 173.728 174.900 0.268 0.000 1.457 415 G CA -0.190 44.940 45.100 0.049 0.000 1.098 415 G HN 0.895 nan 8.290 nan 0.000 0.536 416 W N 3.168 124.602 121.300 0.223 0.000 2.587 416 W HA 0.557 5.260 4.660 0.072 0.000 0.324 416 W C -1.168 175.192 176.519 -0.266 0.000 1.040 416 W CA -0.841 56.469 57.345 -0.058 0.000 1.222 416 W CB 1.944 31.317 29.460 -0.145 0.000 1.381 416 W HN 0.490 nan 8.180 nan 0.000 0.483 417 c N 4.430 122.487 118.600 -0.905 0.000 2.382 417 c HA 0.655 5.267 4.570 0.069 0.000 0.327 417 c C 0.889 174.447 174.090 -0.887 0.000 1.250 417 c CA -0.528 55.357 56.329 -0.740 0.000 1.707 417 c CB 0.537 42.670 42.510 -0.629 0.000 2.272 417 c HN 0.700 nan 8.230 nan 0.000 0.506 418 A N 2.276 124.842 122.820 -0.424 0.000 2.520 418 A HA 0.189 4.550 4.320 0.069 0.000 0.235 418 A C 0.834 178.276 177.584 -0.236 0.000 1.065 418 A CA 0.385 52.249 52.037 -0.288 0.000 0.764 418 A CB 0.207 19.183 19.000 -0.040 0.000 1.002 418 A HN 0.930 nan 8.150 nan 0.000 0.502 419 D N -0.880 119.433 120.400 -0.145 0.000 2.380 419 D HA 0.161 4.842 4.640 0.069 0.000 0.212 419 D C -0.267 176.179 176.300 0.245 0.000 1.021 419 D CA 1.382 55.437 54.000 0.093 0.000 0.884 419 D CB 0.193 41.104 40.800 0.185 0.000 1.001 419 D HN 0.691 nan 8.370 nan 0.000 0.506 420 Y N -1.466 118.874 120.300 0.067 0.000 2.534 420 Y HA 0.473 5.063 4.550 0.066 0.000 0.345 420 Y C -0.525 175.370 175.900 -0.008 0.000 1.031 420 Y CA -1.501 56.616 58.100 0.029 0.000 1.022 420 Y CB 0.572 39.038 38.460 0.010 0.000 1.292 420 Y HN -0.404 nan 8.280 nan 0.000 0.459 421 N N 3.184 121.925 118.700 0.069 0.000 2.739 421 N HA 0.143 4.925 4.740 0.069 0.000 0.266 421 N C -1.090 174.376 175.510 -0.073 0.000 1.168 421 N CA 0.500 53.535 53.050 -0.025 0.000 1.055 421 N CB -0.271 38.237 38.487 0.034 0.000 1.393 421 N HN 0.778 nan 8.380 nan 0.000 0.514 422 E N 2.213 122.278 120.200 -0.224 0.000 2.378 422 E HA 0.231 4.622 4.350 0.069 0.000 0.283 422 E C -2.377 173.959 176.600 -0.440 0.000 0.979 422 E CA -1.488 54.735 56.400 -0.294 0.000 0.795 422 E CB 1.773 31.295 29.700 -0.297 0.000 1.221 422 E HN 0.053 nan 8.360 nan 0.000 0.428 423 P HA -0.159 nan 4.420 nan 0.000 0.216 423 P C 1.188 178.119 177.300 -0.614 0.000 1.150 423 P CA 2.371 65.081 63.100 -0.651 0.000 0.843 423 P CB 0.085 31.186 31.700 -0.998 0.000 0.787 424 T N -4.552 109.613 114.554 -0.649 0.000 3.007 424 T HA -0.095 4.296 4.350 0.069 0.000 0.270 424 T C 1.971 176.465 174.700 -0.344 0.000 1.107 424 T CA 1.266 63.149 62.100 -0.362 0.000 1.118 424 T CB -1.162 67.658 68.868 -0.080 0.000 0.889 424 T HN -0.015 nan 8.240 nan 0.000 0.506 425 S N -0.179 115.165 115.700 -0.593 0.000 2.419 425 S HA 0.006 4.517 4.470 0.069 0.000 0.233 425 S C 1.275 175.722 174.600 -0.255 0.000 1.016 425 S CA 0.748 58.544 58.200 -0.673 0.000 0.974 425 S CB -0.536 62.073 63.200 -0.985 0.000 0.786 425 S HN 0.573 nan 8.310 nan 0.000 0.492 426 F N 0.910 120.642 119.950 -0.363 0.000 2.222 426 F HA 0.316 4.883 4.527 0.066 0.000 0.285 426 F C 1.974 177.582 175.800 -0.320 0.000 1.068 426 F CA 0.527 58.255 58.000 -0.454 0.000 1.265 426 F CB -0.604 38.004 39.000 -0.654 0.000 1.087 426 F HN 0.082 nan 8.300 nan 0.000 0.511 427 L N 0.175 121.386 121.223 -0.020 0.000 2.079 427 L HA -0.270 4.112 4.340 0.069 0.000 0.210 427 L C 1.900 178.828 176.870 0.097 0.000 1.081 427 L CA 1.071 55.991 54.840 0.133 0.000 0.752 427 L CB -0.707 41.369 42.059 0.028 0.000 0.896 427 L HN 0.173 nan 8.230 nan 0.000 0.433 428 N N -0.515 118.072 118.700 -0.188 0.000 2.364 428 N HA -0.136 4.645 4.740 0.069 0.000 0.183 428 N C 1.884 177.240 175.510 -0.256 0.000 1.022 428 N CA 1.701 54.559 53.050 -0.321 0.000 0.883 428 N CB -0.375 37.488 38.487 -1.041 0.000 0.965 428 N HN 0.471 nan 8.380 nan 0.000 0.438 429 T N -2.447 111.920 114.554 -0.311 0.000 3.072 429 T HA 0.052 4.444 4.350 0.069 0.000 0.266 429 T C 1.393 175.968 174.700 -0.208 0.000 1.127 429 T CA 0.559 62.466 62.100 -0.320 0.000 1.107 429 T CB 0.013 68.424 68.868 -0.762 0.000 0.910 429 T HN -0.037 nan 8.240 nan 0.000 0.513 430 M N 0.510 120.050 119.600 -0.099 0.000 2.383 430 M HA 0.382 4.903 4.480 0.069 0.000 0.247 430 M C -0.224 176.098 176.300 0.036 0.000 1.117 430 M CA -0.375 54.819 55.300 -0.177 0.000 0.995 430 M CB -0.567 31.685 32.600 -0.580 0.000 1.480 430 M HN 0.226 nan 8.290 nan 0.000 0.485 431 L N 1.353 122.695 121.223 0.199 0.000 2.485 431 L HA 0.011 4.393 4.340 0.069 0.000 0.275 431 L C 1.820 178.749 176.870 0.098 0.000 1.207 431 L CA 0.586 55.570 54.840 0.240 0.000 0.855 431 L CB 0.646 42.833 42.059 0.213 0.000 1.114 431 L HN 0.401 nan 8.230 nan 0.000 0.485 432 S N 1.571 117.309 115.700 0.064 0.000 2.380 432 S HA -0.207 4.304 4.470 0.069 0.000 0.229 432 S C 0.976 175.579 174.600 0.005 0.000 1.043 432 S CA 1.306 59.500 58.200 -0.011 0.000 1.038 432 S CB -0.414 62.767 63.200 -0.032 0.000 0.872 432 S HN 0.768 nan 8.310 nan 0.000 0.456 433 D N 1.132 121.552 120.400 0.033 0.000 2.325 433 D HA 0.203 4.884 4.640 0.069 0.000 0.225 433 D C 0.430 176.749 176.300 0.032 0.000 1.096 433 D CA 0.013 54.030 54.000 0.028 0.000 0.844 433 D CB -0.360 40.459 40.800 0.032 0.000 0.925 433 D HN 0.370 nan 8.370 nan 0.000 0.513 434 S N 0.304 116.032 115.700 0.047 0.000 2.549 434 S HA 0.117 4.628 4.470 0.069 0.000 0.283 434 S C 1.559 176.159 174.600 -0.000 0.000 1.320 434 S CA 0.070 58.309 58.200 0.064 0.000 1.058 434 S CB 0.841 64.103 63.200 0.103 0.000 0.882 434 S HN 0.288 nan 8.310 nan 0.000 0.498 435 S N 3.863 119.551 115.700 -0.019 0.000 2.474 435 S HA -0.091 4.420 4.470 0.069 0.000 0.235 435 S C 0.954 175.547 174.600 -0.013 0.000 0.997 435 S CA 1.163 59.343 58.200 -0.033 0.000 0.949 435 S CB -0.646 62.509 63.200 -0.075 0.000 0.766 435 S HN 0.858 nan 8.310 nan 0.000 0.517 436 N N 1.718 120.376 118.700 -0.069 0.000 2.336 436 N HA 0.142 4.923 4.740 0.069 0.000 0.189 436 N C 0.008 175.369 175.510 -0.248 0.000 1.113 436 N CA -0.053 52.905 53.050 -0.153 0.000 0.858 436 N CB -0.054 38.261 38.487 -0.287 0.000 0.970 436 N HN 0.250 nan 8.380 nan 0.000 0.471 437 N N 1.150 119.726 118.700 -0.206 0.000 2.739 437 N HA 0.011 4.792 4.740 0.069 0.000 0.266 437 N C 0.437 175.664 175.510 -0.471 0.000 1.168 437 N CA 0.127 53.004 53.050 -0.287 0.000 1.055 437 N CB 0.240 38.612 38.487 -0.192 0.000 1.393 437 N HN 0.190 nan 8.380 nan 0.000 0.514 438 T N -1.355 112.914 114.554 -0.475 0.000 3.100 438 T HA 0.127 4.518 4.350 0.069 0.000 0.253 438 T C 1.540 176.083 174.700 -0.261 0.000 1.118 438 T CA 0.363 62.141 62.100 -0.536 0.000 1.058 438 T CB 0.179 68.726 68.868 -0.535 0.000 0.953 438 T HN 0.278 nan 8.240 nan 0.000 0.515 439 A N 1.178 123.870 122.820 -0.212 0.000 2.119 439 A HA 0.050 4.412 4.320 0.069 0.000 0.216 439 A C 0.937 178.548 177.584 0.045 0.000 1.152 439 A CA 0.301 52.319 52.037 -0.031 0.000 0.708 439 A CB -0.812 18.105 19.000 -0.138 0.000 0.805 439 A HN 0.724 nan 8.150 nan 0.000 0.460 440 H N -3.019 116.043 119.070 -0.014 0.000 2.741 440 H HA -0.235 4.363 4.556 0.069 0.000 0.305 440 H C -0.474 174.853 175.328 -0.002 0.000 1.169 440 H CA 1.150 57.186 56.048 -0.020 0.000 1.144 440 H CB -2.029 27.706 29.762 -0.045 0.000 1.397 440 H HN 0.710 nan 8.280 nan 0.000 0.409 441 Y N 1.610 121.845 120.300 -0.107 0.000 2.336 441 Y HA 0.373 4.965 4.550 0.069 0.000 0.335 441 Y C -0.088 175.738 175.900 -0.123 0.000 1.046 441 Y CA -0.369 57.647 58.100 -0.140 0.000 1.198 441 Y CB 0.826 39.138 38.460 -0.247 0.000 1.182 441 Y HN 0.036 nan 8.280 nan 0.000 0.502 442 K N 5.237 125.284 120.400 -0.589 0.000 2.656 442 K HA 0.301 4.662 4.320 0.069 0.000 0.241 442 K C -1.311 174.949 176.600 -0.565 0.000 0.967 442 K CA -0.563 55.452 56.287 -0.453 0.000 0.946 442 K CB 1.573 33.956 32.500 -0.196 0.000 1.164 442 K HN 0.538 nan 8.250 nan 0.000 0.459 443 S N 3.368 118.710 115.700 -0.596 0.000 2.707 443 S HA 0.371 4.882 4.470 0.069 0.000 0.312 443 S C -2.142 172.426 174.600 -0.054 0.000 1.116 443 S CA -1.799 56.203 58.200 -0.329 0.000 1.078 443 S CB 1.083 64.072 63.200 -0.351 0.000 0.997 443 S HN 0.210 nan 8.310 nan 0.000 0.477 444 P HA -0.022 nan 4.420 nan 0.000 0.216 444 P C 1.374 178.704 177.300 0.050 0.000 1.150 444 P CA 1.322 64.430 63.100 0.014 0.000 0.837 444 P CB 0.115 31.815 31.700 -0.000 0.000 0.786 445 A N -1.155 121.704 122.820 0.065 0.000 1.898 445 A HA -0.178 4.183 4.320 0.069 0.000 0.216 445 A C 2.130 179.790 177.584 0.128 0.000 1.181 445 A CA 1.285 53.372 52.037 0.084 0.000 0.620 445 A CB -1.803 17.250 19.000 0.089 0.000 0.819 445 A HN 0.168 nan 8.150 nan 0.000 0.442 446 F N 1.207 121.186 119.950 0.047 0.000 2.146 446 F HA -0.171 4.397 4.527 0.068 0.000 0.298 446 F C 1.761 177.604 175.800 0.071 0.000 1.096 446 F CA 2.027 60.082 58.000 0.093 0.000 1.275 446 F CB -0.139 38.973 39.000 0.187 0.000 1.008 446 F HN 0.222 nan 8.300 nan 0.000 0.480 447 D N 0.522 121.051 120.400 0.214 0.000 2.104 447 D HA -0.236 4.446 4.640 0.069 0.000 0.194 447 D C 2.123 178.426 176.300 0.005 0.000 0.994 447 D CA 1.616 55.682 54.000 0.110 0.000 0.830 447 D CB -0.433 40.436 40.800 0.115 0.000 0.959 447 D HN 0.300 nan 8.370 nan 0.000 0.452 448 K N 0.430 120.835 120.400 0.009 0.000 2.057 448 K HA -0.076 4.285 4.320 0.069 0.000 0.207 448 K C 2.215 178.789 176.600 -0.044 0.000 1.049 448 K CA 0.713 56.996 56.287 -0.007 0.000 0.931 448 K CB -0.212 32.291 32.500 0.006 0.000 0.714 448 K HN 0.072 nan 8.250 nan 0.000 0.440 449 L N 0.677 121.847 121.223 -0.087 0.000 2.042 449 L HA -0.213 4.168 4.340 0.069 0.000 0.210 449 L C 2.272 179.066 176.870 -0.127 0.000 1.076 449 L CA 0.814 55.584 54.840 -0.117 0.000 0.749 449 L CB -0.451 41.517 42.059 -0.151 0.000 0.893 449 L HN 0.258 nan 8.230 nan 0.000 0.432 450 I N -0.003 120.455 120.570 -0.186 0.000 2.353 450 I HA -0.184 4.027 4.170 0.069 0.000 0.248 450 I C 2.828 178.955 176.117 0.017 0.000 1.119 450 I CA 1.412 62.664 61.300 -0.079 0.000 1.417 450 I CB -1.575 36.345 38.000 -0.132 0.000 1.078 450 I HN 0.162 nan 8.210 nan 0.000 0.421 451 A N 0.757 123.584 122.820 0.012 0.000 1.933 451 A HA -0.215 4.146 4.320 0.069 0.000 0.218 451 A C 1.915 179.499 177.584 0.001 0.000 1.175 451 A CA 1.886 53.944 52.037 0.035 0.000 0.628 451 A CB -0.594 18.427 19.000 0.035 0.000 0.814 451 A HN 0.339 nan 8.150 nan 0.000 0.444 452 D N -0.398 119.991 120.400 -0.018 0.000 2.264 452 D HA -0.104 4.577 4.640 0.069 0.000 0.208 452 D C 2.236 178.509 176.300 -0.045 0.000 0.966 452 D CA 1.754 55.734 54.000 -0.033 0.000 0.864 452 D CB -0.570 40.205 40.800 -0.043 0.000 0.933 452 D HN 0.655 nan 8.370 nan 0.000 0.499 453 T N -1.440 113.090 114.554 -0.041 0.000 2.881 453 T HA -0.097 4.294 4.350 0.069 0.000 0.270 453 T C 1.789 176.484 174.700 -0.009 0.000 1.068 453 T CA 0.693 62.755 62.100 -0.062 0.000 1.131 453 T CB -0.254 68.590 68.868 -0.040 0.000 0.871 453 T HN 0.161 nan 8.240 nan 0.000 0.479 454 L N -0.678 120.543 121.223 -0.004 0.000 2.728 454 L HA 0.398 4.779 4.340 0.069 0.000 0.238 454 L C 2.133 178.979 176.870 -0.041 0.000 1.143 454 L CA 0.015 54.839 54.840 -0.026 0.000 0.937 454 L CB 0.117 42.115 42.059 -0.103 0.000 1.225 454 L HN 0.136 nan 8.230 nan 0.000 0.507 455 K N -0.042 120.338 120.400 -0.035 0.000 2.361 455 K HA 0.107 4.468 4.320 0.069 0.000 0.194 455 K C 0.394 176.983 176.600 -0.018 0.000 1.032 455 K CA 0.107 56.378 56.287 -0.027 0.000 1.048 455 K CB 0.752 33.237 32.500 -0.026 0.000 0.842 455 K HN 0.163 nan 8.250 nan 0.000 0.526 456 V N -2.442 117.459 119.914 -0.022 0.000 2.732 456 V HA 0.683 4.844 4.120 0.069 0.000 0.310 456 V C -0.048 176.045 176.094 -0.002 0.000 1.053 456 V CA -0.963 61.326 62.300 -0.018 0.000 0.957 456 V CB 1.600 33.401 31.823 -0.037 0.000 1.018 456 V HN -0.060 nan 8.190 nan 0.000 0.452 457 A N 2.842 125.668 122.820 0.011 0.000 3.041 457 A HA 0.600 4.961 4.320 0.069 0.000 0.307 457 A C -0.010 177.591 177.584 0.029 0.000 1.116 457 A CA -0.034 52.022 52.037 0.032 0.000 1.001 457 A CB -0.875 18.160 19.000 0.058 0.000 1.112 457 A HN 1.119 nan 8.150 nan 0.000 0.556 458 D N -1.626 118.779 120.400 0.008 0.000 2.717 458 D HA 0.081 4.762 4.640 0.069 0.000 0.223 458 D C -1.086 175.207 176.300 -0.012 0.000 1.240 458 D CA -0.409 53.596 54.000 0.009 0.000 0.801 458 D CB 0.472 41.278 40.800 0.011 0.000 1.556 458 D HN -0.122 nan 8.370 nan 0.000 0.462 459 D N 0.864 121.266 120.400 0.004 0.000 2.144 459 D HA -0.101 4.580 4.640 0.069 0.000 0.199 459 D C 1.717 177.997 176.300 -0.033 0.000 0.984 459 D CA 1.673 55.672 54.000 -0.003 0.000 0.834 459 D CB -0.033 40.786 40.800 0.031 0.000 0.955 459 D HN 0.509 nan 8.370 nan 0.000 0.465 460 T N 0.884 115.424 114.554 -0.024 0.000 2.777 460 T HA -0.126 4.265 4.350 0.069 0.000 0.266 460 T C 1.995 176.656 174.700 -0.064 0.000 1.040 460 T CA 0.946 63.027 62.100 -0.032 0.000 1.141 460 T CB -0.138 68.721 68.868 -0.015 0.000 0.868 460 T HN 0.241 nan 8.240 nan 0.000 0.444 461 Q N 0.469 120.227 119.800 -0.069 0.000 2.079 461 Q HA 0.003 4.384 4.340 0.069 0.000 0.200 461 Q C 2.561 178.458 176.000 -0.173 0.000 0.974 461 Q CA 0.971 56.719 55.803 -0.092 0.000 0.840 461 Q CB -0.130 28.567 28.738 -0.069 0.000 0.898 461 Q HN 0.374 nan 8.270 nan 0.000 0.430 462 R N 0.156 120.527 120.500 -0.215 0.000 2.083 462 R HA -0.139 4.242 4.340 0.069 0.000 0.237 462 R C 2.391 178.288 176.300 -0.671 0.000 1.137 462 R CA 1.726 57.555 56.100 -0.452 0.000 0.951 462 R CB -0.108 29.992 30.300 -0.334 0.000 0.851 462 R HN 0.101 nan 8.270 nan 0.000 0.434 463 S N 0.403 115.911 115.700 -0.321 0.000 2.382 463 S HA -0.144 4.368 4.470 0.069 0.000 0.228 463 S C 1.567 176.107 174.600 -0.101 0.000 1.027 463 S CA 1.386 59.506 58.200 -0.134 0.000 0.991 463 S CB -0.118 63.075 63.200 -0.011 0.000 0.823 463 S HN 0.423 nan 8.310 nan 0.000 0.469 464 E N 0.798 120.930 120.200 -0.112 0.000 2.110 464 E HA -0.078 4.313 4.350 0.069 0.000 0.193 464 E C 1.984 178.537 176.600 -0.078 0.000 0.988 464 E CA 0.809 57.168 56.400 -0.068 0.000 0.804 464 E CB -0.243 29.421 29.700 -0.059 0.000 0.745 464 E HN 0.416 nan 8.360 nan 0.000 0.458 465 L N -0.048 121.078 121.223 -0.162 0.000 2.093 465 L HA -0.179 4.202 4.340 0.069 0.000 0.208 465 L C 2.210 179.041 176.870 -0.065 0.000 1.085 465 L CA 1.194 55.944 54.840 -0.149 0.000 0.755 465 L CB -0.387 41.538 42.059 -0.224 0.000 0.904 465 L HN 0.232 nan 8.230 nan 0.000 0.435 466 Y N -0.670 119.596 120.300 -0.057 0.000 2.200 466 Y HA -0.244 4.347 4.550 0.069 0.000 0.290 466 Y C 2.699 178.575 175.900 -0.040 0.000 1.137 466 Y CA 0.282 58.342 58.100 -0.066 0.000 1.163 466 Y CB -0.333 38.084 38.460 -0.072 0.000 0.988 466 Y HN 0.186 nan 8.280 nan 0.000 0.518 467 A N 0.810 123.702 122.820 0.119 0.000 1.883 467 A HA -0.240 4.121 4.320 0.069 0.000 0.217 467 A C 2.086 179.710 177.584 0.066 0.000 1.186 467 A CA 1.965 54.045 52.037 0.072 0.000 0.624 467 A CB -0.536 18.487 19.000 0.039 0.000 0.822 467 A HN 0.389 nan 8.150 nan 0.000 0.444 468 K N -0.445 119.982 120.400 0.045 0.000 2.097 468 K HA -0.029 4.332 4.320 0.069 0.000 0.206 468 K C 2.285 178.929 176.600 0.073 0.000 1.049 468 K CA 1.012 57.327 56.287 0.046 0.000 0.933 468 K CB -0.306 32.204 32.500 0.017 0.000 0.717 468 K HN 0.454 nan 8.250 nan 0.000 0.442 469 A N 1.728 124.581 122.820 0.054 0.000 1.902 469 A HA -0.176 4.185 4.320 0.069 0.000 0.217 469 A C 1.957 179.694 177.584 0.255 0.000 1.181 469 A CA 1.333 53.400 52.037 0.050 0.000 0.623 469 A CB -0.216 18.675 19.000 -0.182 0.000 0.818 469 A HN 0.167 nan 8.150 nan 0.000 0.443 470 E N 0.024 120.336 120.200 0.186 0.000 2.072 470 E HA -0.207 4.184 4.350 0.069 0.000 0.191 470 E C 2.206 178.899 176.600 0.154 0.000 0.985 470 E CA 1.365 57.870 56.400 0.175 0.000 0.801 470 E CB -0.381 29.383 29.700 0.107 0.000 0.750 470 E HN 0.780 nan 8.360 nan 0.000 0.452 471 Q N 0.359 120.237 119.800 0.130 0.000 2.124 471 Q HA -0.230 4.152 4.340 0.069 0.000 0.202 471 Q C 2.218 178.304 176.000 0.142 0.000 0.977 471 Q CA 1.531 57.406 55.803 0.119 0.000 0.850 471 Q CB -0.149 28.642 28.738 0.088 0.000 0.901 471 Q HN 0.103 nan 8.270 nan 0.000 0.429 472 Q N 0.960 120.868 119.800 0.181 0.000 2.084 472 Q HA -0.175 4.206 4.340 0.069 0.000 0.202 472 Q C 1.835 177.956 176.000 0.202 0.000 0.978 472 Q CA 1.210 57.144 55.803 0.219 0.000 0.844 472 Q CB -0.318 28.603 28.738 0.305 0.000 0.898 472 Q HN 0.331 nan 8.270 nan 0.000 0.426 473 L N 0.557 121.885 121.223 0.175 0.000 2.046 473 L HA -0.150 4.231 4.340 0.069 0.000 0.208 473 L C 1.820 178.648 176.870 -0.071 0.000 1.077 473 L CA 2.428 57.208 54.840 -0.099 0.000 0.747 473 L CB -0.762 41.193 42.059 -0.173 0.000 0.896 473 L HN 0.394 nan 8.230 nan 0.000 0.432 474 D N -0.763 119.667 120.400 0.050 0.000 2.117 474 D HA -0.261 4.420 4.640 0.069 0.000 0.198 474 D C 2.258 178.624 176.300 0.110 0.000 0.982 474 D CA 1.428 55.499 54.000 0.118 0.000 0.828 474 D CB -0.079 40.852 40.800 0.219 0.000 0.967 474 D HN 0.279 nan 8.370 nan 0.000 0.464 475 K N -0.164 120.304 120.400 0.113 0.000 2.103 475 K HA -0.149 4.212 4.320 0.069 0.000 0.207 475 K C 0.824 177.469 176.600 0.076 0.000 1.048 475 K CA 1.612 57.961 56.287 0.103 0.000 0.930 475 K CB 0.043 32.609 32.500 0.110 0.000 0.716 475 K HN 0.115 nan 8.250 nan 0.000 0.444 476 D N 0.242 120.685 120.400 0.073 0.000 2.349 476 D HA 0.019 4.700 4.640 0.069 0.000 0.215 476 D C -0.243 176.061 176.300 0.007 0.000 1.016 476 D CA 0.360 54.404 54.000 0.075 0.000 0.870 476 D CB 0.358 41.273 40.800 0.193 0.000 0.917 476 D HN 0.040 nan 8.370 nan 0.000 0.524 477 S N 0.150 115.828 115.700 -0.036 0.000 3.550 477 S HA -0.251 4.260 4.470 0.069 0.000 0.372 477 S C 1.429 175.961 174.600 -0.113 0.000 0.966 477 S CA 0.298 58.454 58.200 -0.072 0.000 1.229 477 S CB -1.185 61.974 63.200 -0.068 0.000 0.917 477 S HN 0.517 nan 8.310 nan 0.000 0.496 478 A N 0.461 123.131 122.820 -0.251 0.000 1.902 478 A HA 0.239 4.600 4.320 0.069 0.000 0.217 478 A C 1.016 178.449 177.584 -0.253 0.000 1.181 478 A CA 1.500 53.309 52.037 -0.381 0.000 0.623 478 A CB -0.395 17.997 19.000 -1.014 0.000 0.818 478 A HN 1.065 nan 8.150 nan 0.000 0.443 479 I N -5.369 115.065 120.570 -0.225 0.000 3.294 479 I HA 0.674 4.885 4.170 0.069 0.000 0.311 479 I C -1.059 175.080 176.117 0.037 0.000 1.111 479 I CA -1.274 59.980 61.300 -0.076 0.000 0.976 479 I CB 2.284 40.171 38.000 -0.187 0.000 1.260 479 I HN -0.236 nan 8.210 nan 0.000 0.474 480 V N 2.499 122.526 119.914 0.189 0.000 2.284 480 V HA 0.393 4.554 4.120 0.069 0.000 0.274 480 V C -2.393 173.870 176.094 0.281 0.000 1.023 480 V CA -1.555 60.895 62.300 0.250 0.000 0.808 480 V CB 0.522 32.591 31.823 0.410 0.000 1.035 480 V HN 0.597 nan 8.190 nan 0.000 0.445 481 P HA 0.147 nan 4.420 nan 0.000 0.267 481 P C 0.453 177.855 177.300 0.170 0.000 1.205 481 P CA 0.441 63.638 63.100 0.161 0.000 0.765 481 P CB 1.455 33.213 31.700 0.096 0.000 0.828 482 V N 2.802 122.768 119.914 0.085 0.000 3.001 482 V HA 0.206 4.368 4.120 0.069 0.000 0.228 482 V C -0.063 176.031 176.094 -0.001 0.000 1.204 482 V CA 1.039 63.380 62.300 0.068 0.000 1.247 482 V CB -0.508 31.336 31.823 0.035 0.000 1.093 482 V HN 0.558 nan 8.190 nan 0.000 0.504 483 Y N -2.278 117.941 120.300 -0.136 0.000 2.638 483 Y HA 0.721 5.311 4.550 0.067 0.000 0.335 483 Y C -1.441 174.292 175.900 -0.278 0.000 1.155 483 Y CA -2.490 55.444 58.100 -0.276 0.000 1.046 483 Y CB 0.588 38.931 38.460 -0.194 0.000 1.303 483 Y HN 0.120 nan 8.280 nan 0.000 0.460 484 Y N 1.398 121.924 120.300 0.376 0.000 2.327 484 Y HA 0.417 5.008 4.550 0.069 0.000 0.336 484 Y C -0.446 175.777 175.900 0.538 0.000 1.035 484 Y CA -0.803 57.524 58.100 0.378 0.000 1.165 484 Y CB 0.575 39.243 38.460 0.346 0.000 1.181 484 Y HN 0.528 nan 8.280 nan 0.000 0.494 485 Y N 1.877 122.500 120.300 0.538 0.000 2.357 485 Y HA 0.292 4.883 4.550 0.069 0.000 0.340 485 Y C 0.497 176.624 175.900 0.379 0.000 1.260 485 Y CA -0.880 57.512 58.100 0.487 0.000 1.425 485 Y CB 0.460 39.162 38.460 0.403 0.000 1.326 485 Y HN 0.370 nan 8.280 nan 0.000 0.580 486 V N -0.031 120.145 119.914 0.436 0.000 2.732 486 V HA 0.477 4.638 4.120 0.069 0.000 0.310 486 V C -0.333 175.954 176.094 0.321 0.000 1.053 486 V CA -1.308 61.166 62.300 0.291 0.000 0.957 486 V CB 1.839 33.723 31.823 0.103 0.000 1.018 486 V HN 0.741 nan 8.190 nan 0.000 0.452 487 N N 2.676 121.451 118.700 0.126 0.000 2.555 487 N HA 0.501 5.282 4.740 0.069 0.000 0.244 487 N C -0.290 175.155 175.510 -0.109 0.000 1.114 487 N CA 0.194 53.128 53.050 -0.192 0.000 0.963 487 N CB 0.507 38.643 38.487 -0.585 0.000 1.276 487 N HN 1.153 nan 8.380 nan 0.000 0.510 488 A N 4.022 126.797 122.820 -0.074 0.000 2.271 488 A HA 0.794 5.156 4.320 0.069 0.000 0.317 488 A C -0.122 177.400 177.584 -0.103 0.000 1.245 488 A CA -0.651 51.350 52.037 -0.060 0.000 0.857 488 A CB 0.572 19.506 19.000 -0.110 0.000 1.175 488 A HN 0.806 nan 8.150 nan 0.000 0.512 489 R N 1.423 121.870 120.500 -0.088 0.000 2.733 489 R HA 0.740 5.121 4.340 0.069 0.000 0.272 489 R C -1.787 174.397 176.300 -0.193 0.000 1.029 489 R CA -0.976 55.026 56.100 -0.164 0.000 0.888 489 R CB 0.943 31.106 30.300 -0.227 0.000 1.251 489 R HN 0.408 nan 8.270 nan 0.000 0.464 490 L N 1.175 122.189 121.223 -0.349 0.000 2.317 490 L HA 0.737 5.118 4.340 0.069 0.000 0.281 490 L C -0.737 175.895 176.870 -0.396 0.000 1.024 490 L CA -1.352 53.176 54.840 -0.520 0.000 0.810 490 L CB 1.960 43.292 42.059 -1.212 0.000 1.240 490 L HN 0.328 nan 8.230 nan 0.000 0.427 491 V N 2.725 122.533 119.914 -0.177 0.000 2.577 491 V HA 0.336 4.497 4.120 0.069 0.000 0.303 491 V C -0.038 175.993 176.094 -0.103 0.000 1.042 491 V CA -1.100 61.139 62.300 -0.101 0.000 0.872 491 V CB 1.951 33.677 31.823 -0.162 0.000 0.998 491 V HN 0.607 nan 8.190 nan 0.000 0.423 492 K N 4.783 125.006 120.400 -0.295 0.000 2.380 492 K HA 0.201 4.562 4.320 0.069 0.000 0.267 492 K C -1.639 174.518 176.600 -0.737 0.000 0.990 492 K CA -1.564 54.219 56.287 -0.840 0.000 0.946 492 K CB 0.885 32.261 32.500 -1.875 0.000 0.937 492 K HN 0.288 nan 8.250 nan 0.000 0.491 493 P HA -0.113 nan 4.420 nan 0.000 0.220 493 P C 0.712 177.895 177.300 -0.195 0.000 1.148 493 P CA 1.186 64.106 63.100 -0.300 0.000 0.803 493 P CB -0.069 31.548 31.700 -0.138 0.000 0.782 494 W N -1.635 119.546 121.300 -0.199 0.000 3.256 494 W HA 0.299 5.000 4.660 0.069 0.000 0.269 494 W C -0.444 175.982 176.519 -0.154 0.000 1.310 494 W CA -0.214 57.015 57.345 -0.192 0.000 1.673 494 W CB -1.287 27.896 29.460 -0.461 0.000 1.115 494 W HN -0.386 nan 8.180 nan 0.000 0.686 495 V N 3.129 122.919 119.914 -0.206 0.000 2.389 495 V HA 0.587 4.748 4.120 0.069 0.000 0.264 495 V C 0.931 176.867 176.094 -0.263 0.000 1.049 495 V CA -0.267 61.924 62.300 -0.182 0.000 0.932 495 V CB -0.025 31.664 31.823 -0.225 0.000 1.011 495 V HN 0.205 nan 8.190 nan 0.000 0.475 496 G N 2.660 111.127 108.800 -0.555 0.000 2.437 496 G HA2 0.561 4.562 3.960 0.069 0.000 0.319 496 G HA3 0.561 4.562 3.960 0.069 0.000 0.319 496 G C 0.836 175.247 174.900 -0.816 0.000 1.158 496 G CA 0.096 44.645 45.100 -0.919 0.000 0.899 496 G HN 1.458 nan 8.290 nan 0.000 0.502 497 G N -1.308 107.296 108.800 -0.326 0.000 2.194 497 G HA2 -0.260 3.741 3.960 0.069 0.000 0.236 497 G HA3 -0.260 3.741 3.960 0.069 0.000 0.236 497 G C 0.175 175.115 174.900 0.067 0.000 0.987 497 G CA 0.645 45.737 45.100 -0.013 0.000 0.635 497 G HN 1.163 nan 8.290 nan 0.000 0.520 498 Y N 2.693 122.934 120.300 -0.098 0.000 2.504 498 Y HA 0.451 5.059 4.550 0.096 0.000 0.339 498 Y C 1.819 177.687 175.900 -0.054 0.000 0.974 498 Y CA 0.489 58.548 58.100 -0.069 0.000 1.232 498 Y CB 1.002 39.401 38.460 -0.102 0.000 1.108 498 Y HN 0.255 nan 8.280 nan 0.000 0.509 499 T N 0.711 115.037 114.554 -0.380 0.000 2.896 499 T HA 0.083 4.474 4.350 0.069 0.000 0.263 499 T C 1.666 176.078 174.700 -0.479 0.000 1.050 499 T CA 1.033 62.942 62.100 -0.318 0.000 1.140 499 T CB -0.459 68.306 68.868 -0.171 0.000 0.877 499 T HN 1.241 nan 8.240 nan 0.000 0.457 500 G N 1.151 109.474 108.800 -0.794 0.000 2.179 500 G HA2 -0.274 3.728 3.960 0.069 0.000 0.260 500 G HA3 -0.274 3.728 3.960 0.069 0.000 0.260 500 G C 0.820 175.547 174.900 -0.288 0.000 0.977 500 G CA 0.539 45.280 45.100 -0.598 0.000 0.641 500 G HN 0.574 nan 8.290 nan 0.000 0.533 501 K N -0.086 120.176 120.400 -0.230 0.000 2.365 501 K HA 0.026 4.388 4.320 0.069 0.000 0.197 501 K C 0.506 177.048 176.600 -0.098 0.000 1.042 501 K CA 0.381 56.592 56.287 -0.127 0.000 0.987 501 K CB 0.114 32.558 32.500 -0.094 0.000 0.779 501 K HN 0.351 nan 8.250 nan 0.000 0.484 502 D N 1.387 121.723 120.400 -0.107 0.000 2.336 502 D HA 0.028 4.709 4.640 0.069 0.000 0.249 502 D C -1.672 174.631 176.300 0.005 0.000 1.213 502 D CA -2.320 51.651 54.000 -0.048 0.000 0.870 502 D CB 1.445 42.231 40.800 -0.023 0.000 1.076 502 D HN -0.046 nan 8.370 nan 0.000 0.483 503 P HA -0.052 nan 4.420 nan 0.000 0.230 503 P C 1.205 178.639 177.300 0.224 0.000 1.158 503 P CA 0.555 63.744 63.100 0.148 0.000 0.769 503 P CB 0.391 32.181 31.700 0.151 0.000 0.807 504 L N -1.156 120.156 121.223 0.148 0.000 2.529 504 L HA 0.146 4.527 4.340 0.069 0.000 0.223 504 L C 0.537 177.508 176.870 0.169 0.000 1.113 504 L CA 0.193 55.123 54.840 0.150 0.000 0.861 504 L CB -1.019 41.092 42.059 0.086 0.000 1.012 504 L HN -0.015 nan 8.230 nan 0.000 0.461 505 D N 1.496 121.957 120.400 0.102 0.000 2.689 505 D HA -0.200 4.481 4.640 0.069 0.000 0.237 505 D C 0.032 176.351 176.300 0.031 0.000 1.148 505 D CA 0.327 54.348 54.000 0.035 0.000 0.656 505 D CB -0.900 39.852 40.800 -0.080 0.000 1.050 505 D HN 0.143 nan 8.370 nan 0.000 0.426 506 N N 1.011 119.732 118.700 0.035 0.000 3.124 506 N HA 0.179 4.960 4.740 0.069 0.000 0.284 506 N C 0.282 175.748 175.510 -0.073 0.000 1.209 506 N CA -0.051 52.976 53.050 -0.037 0.000 1.149 506 N CB -0.024 38.494 38.487 0.053 0.000 1.434 506 N HN 0.492 nan 8.380 nan 0.000 0.529 507 I N 1.372 121.892 120.570 -0.083 0.000 2.634 507 I HA 0.036 4.248 4.170 0.069 0.000 0.284 507 I C -0.249 175.750 176.117 -0.195 0.000 1.124 507 I CA -0.043 61.256 61.300 -0.003 0.000 1.417 507 I CB 0.316 38.336 38.000 0.033 0.000 1.396 507 I HN 0.172 nan 8.210 nan 0.000 0.571 508 Y N 4.049 124.399 120.300 0.082 0.000 2.331 508 Y HA 0.238 4.825 4.550 0.061 0.000 0.334 508 Y C 0.751 176.704 175.900 0.088 0.000 0.960 508 Y CA -0.714 57.434 58.100 0.081 0.000 1.130 508 Y CB 1.599 40.112 38.460 0.088 0.000 1.164 508 Y HN 0.250 nan 8.280 nan 0.000 0.458 509 V N 3.136 123.157 119.914 0.179 0.000 2.759 509 V HA -0.269 3.893 4.120 0.069 0.000 0.256 509 V C 2.044 178.300 176.094 0.270 0.000 1.080 509 V CA 2.030 64.392 62.300 0.103 0.000 1.101 509 V CB -0.522 31.201 31.823 -0.168 0.000 0.698 509 V HN 0.796 nan 8.190 nan 0.000 0.477 510 K N 0.294 120.931 120.400 0.395 0.000 2.360 510 K HA -0.151 4.211 4.320 0.069 0.000 0.201 510 K C 1.292 178.009 176.600 0.196 0.000 1.046 510 K CA 1.607 58.057 56.287 0.272 0.000 0.945 510 K CB -0.282 32.287 32.500 0.114 0.000 0.750 510 K HN 0.400 nan 8.250 nan 0.000 0.464 511 N N 0.639 119.465 118.700 0.210 0.000 2.353 511 N HA 0.140 4.921 4.740 0.069 0.000 0.185 511 N C 0.320 175.957 175.510 0.212 0.000 1.098 511 N CA 0.275 53.441 53.050 0.195 0.000 0.872 511 N CB 0.194 38.799 38.487 0.197 0.000 0.970 511 N HN 0.187 nan 8.380 nan 0.000 0.467 512 L N 0.235 121.565 121.223 0.177 0.000 2.416 512 L HA 0.437 4.818 4.340 0.069 0.000 0.263 512 L C -0.642 176.341 176.870 0.189 0.000 1.065 512 L CA -1.093 53.798 54.840 0.086 0.000 0.798 512 L CB 0.745 42.811 42.059 0.012 0.000 1.267 512 L HN 0.102 nan 8.230 nan 0.000 0.467 513 Y N -1.481 118.872 120.300 0.089 0.000 2.565 513 Y HA 0.555 5.135 4.550 0.050 0.000 0.330 513 Y C -1.272 174.694 175.900 0.111 0.000 1.150 513 Y CA -1.411 56.743 58.100 0.090 0.000 1.055 513 Y CB 0.732 39.240 38.460 0.080 0.000 1.337 513 Y HN 0.100 nan 8.280 nan 0.000 0.457 514 I N 4.387 125.120 120.570 0.272 0.000 2.312 514 I HA 0.338 4.549 4.170 0.069 0.000 0.290 514 I C 0.113 176.418 176.117 0.312 0.000 1.008 514 I CA -1.110 60.344 61.300 0.255 0.000 1.226 514 I CB 0.856 38.984 38.000 0.214 0.000 1.371 514 I HN 0.650 nan 8.210 nan 0.000 0.468 515 I N 5.432 126.207 120.570 0.341 0.000 2.529 515 I HA 0.091 4.302 4.170 0.069 0.000 0.284 515 I C 1.034 177.332 176.117 0.302 0.000 1.082 515 I CA -0.467 61.027 61.300 0.322 0.000 1.406 515 I CB 0.490 38.673 38.000 0.306 0.000 1.405 515 I HN 0.525 nan 8.210 nan 0.000 0.548 516 K N 7.017 127.527 120.400 0.183 0.000 2.484 516 K HA 0.017 4.378 4.320 0.069 0.000 0.280 516 K C -0.437 176.244 176.600 0.135 0.000 1.013 516 K CA 0.301 56.640 56.287 0.086 0.000 1.029 516 K CB 0.330 32.847 32.500 0.029 0.000 0.902 516 K HN 0.738 nan 8.250 nan 0.000 0.481 517 H N 0.000 119.006 119.070 -0.106 0.000 2.539 517 H HA 0.000 4.598 4.556 0.070 0.000 0.296 517 H CA 0.000 55.981 56.048 -0.112 0.000 1.023 517 H CB 0.000 29.698 29.762 -0.108 0.000 1.292 517 H HN 0.000 nan 8.280 nan 0.000 0.496