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 1e7f_1_A DATA FIRST_RESID 3 DATA SEQUENCE HKSEVAHRFK DLGEENFKAL VLIAFAQYLQ QCPFEDHVKL VNEVTEFAKT DATA SEQUENCE cVADESAENc DKSLHTLFGD KLcTVATLRE TYGEMADccA KQEPERNEcF DATA SEQUENCE LQHKDDNPNL PRLVRPEVDV McTAFHDNEE TFLKKYLYEI ARRHPYFYAP DATA SEQUENCE ELLFFAKRYK AAFTEccQAA DKAAcLLPKL DELRDEGKAS SAKQRLKcAS DATA SEQUENCE LQKFGERAFK AWAVARLSQR FPKAEFAEVS KLVTDLTKVH TEccHGDLLE DATA SEQUENCE cADDRADLAK YIcENQDSIS SKLKEccEKP LLEKSHcIAE VENDEMPADL DATA SEQUENCE PSLAADFVES KDVcKNYAEA KDVFLGMFLY EYARRHPDYS VVLLLRLAKT DATA SEQUENCE YETTLEKccA AADPHEcYAK VFDEFKPLVE EPQNLIKQNc ELFEQLGEYK DATA SEQUENCE FQNALLVRYT KKVPQVSTPT LVEVSRNLGK VGSKccKHPE AKRMPcAEDY DATA SEQUENCE LSVVLNQLcV LHEKTPVSDR VTKccTESLV NRRPcFSALE VDETYVPKEF DATA SEQUENCE NAETFTFHAD IcTLSEKERQ IKKQTALVEL VKHKPKATKE QLKAVMDDFA DATA SEQUENCE AFVEKccKAD DKETcFAEEG KKLVAASQAA LG 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.307 175.328 -0.035 0.000 0.993 3 H CA 0.000 56.027 56.048 -0.035 0.000 1.023 3 H CB 0.000 29.758 29.762 -0.006 0.000 1.292 4 K N 1.164 121.536 120.400 -0.046 0.000 2.412 4 K HA 0.265 4.594 4.320 0.015 0.000 0.201 4 K C 0.160 176.757 176.600 -0.005 0.000 1.275 4 K CA 0.502 56.771 56.287 -0.031 0.000 0.910 4 K CB 0.885 33.354 32.500 -0.051 0.000 1.346 4 K HN 0.444 nan 8.250 nan 0.000 0.490 5 S N 0.312 116.019 115.700 0.010 0.000 2.428 5 S HA 0.347 4.826 4.470 0.015 0.000 0.269 5 S C 0.488 175.139 174.600 0.084 0.000 1.026 5 S CA 0.725 58.948 58.200 0.038 0.000 1.019 5 S CB 0.917 64.121 63.200 0.008 0.000 1.191 5 S HN 0.289 nan 8.310 nan 0.000 0.429 6 E N 3.881 124.146 120.200 0.108 0.000 2.059 6 E HA -0.249 4.110 4.350 0.015 0.000 0.237 6 E C 2.014 178.716 176.600 0.171 0.000 1.023 6 E CA 3.140 59.630 56.400 0.150 0.000 0.918 6 E CB -1.990 nan 29.700 nan 0.000 0.824 6 E HN 1.620 nan 8.360 nan 0.000 0.534 7 V N -0.195 119.822 119.914 0.173 0.000 2.218 7 V HA -0.200 3.929 4.120 0.015 0.000 0.251 7 V C 2.835 178.973 176.094 0.073 0.000 1.057 7 V CA 3.825 66.232 62.300 0.178 0.000 1.022 7 V CB -1.817 30.094 31.823 0.148 0.000 0.645 7 V HN 1.044 nan 8.190 nan 0.000 0.451 8 A N 0.010 122.814 122.820 -0.026 0.000 1.909 8 A HA -0.421 3.908 4.320 0.015 0.000 0.221 8 A C 2.341 179.971 177.584 0.078 0.000 1.223 8 A CA 2.914 54.922 52.037 -0.048 0.000 0.658 8 A CB -1.435 17.529 19.000 -0.059 0.000 0.831 8 A HN 0.901 nan 8.150 nan 0.000 0.462 9 H N -1.001 118.081 119.070 0.020 0.000 2.321 9 H HA -0.119 4.446 4.556 0.015 0.000 0.300 9 H C 2.335 177.701 175.328 0.063 0.000 1.087 9 H CA 1.521 57.592 56.048 0.039 0.000 1.319 9 H CB 0.021 29.806 29.762 0.038 0.000 1.379 9 H HN 0.318 nan 8.280 nan 0.000 0.501 10 R N 0.219 120.700 120.500 -0.033 0.000 2.073 10 R HA -0.145 4.204 4.340 0.015 0.000 0.234 10 R C 2.356 178.651 176.300 -0.009 0.000 1.134 10 R CA 0.931 57.006 56.100 -0.042 0.000 0.952 10 R CB -1.512 28.885 30.300 0.162 0.000 0.850 10 R HN 0.340 nan 8.270 nan 0.000 0.433 11 F N 2.292 122.107 119.950 -0.224 0.000 2.046 11 F HA -0.248 4.288 4.527 0.015 0.000 0.297 11 F C 2.264 177.927 175.800 -0.228 0.000 1.123 11 F CA 1.771 59.499 58.000 -0.453 0.000 1.199 11 F CB -0.123 38.490 39.000 -0.646 0.000 0.972 11 F HN -0.075 nan 8.300 nan 0.000 0.474 12 K N -0.305 120.140 120.400 0.074 0.000 2.015 12 K HA -0.239 4.090 4.320 0.015 0.000 0.216 12 K C 1.176 177.739 176.600 -0.062 0.000 1.052 12 K CA 1.975 58.280 56.287 0.031 0.000 0.937 12 K CB -0.694 31.845 32.500 0.066 0.000 0.719 12 K HN 0.509 nan 8.250 nan 0.000 0.446 13 D N -0.124 120.203 120.400 -0.122 0.000 2.460 13 D HA 0.002 4.651 4.640 0.015 0.000 0.229 13 D C 1.075 177.312 176.300 -0.104 0.000 1.170 13 D CA 0.131 54.065 54.000 -0.109 0.000 0.827 13 D CB 0.495 41.225 40.800 -0.115 0.000 0.973 13 D HN 0.043 nan 8.370 nan 0.000 0.496 14 L N 0.441 121.589 121.223 -0.125 0.000 2.638 14 L HA 0.386 4.735 4.340 0.015 0.000 0.195 14 L C 0.784 177.569 176.870 -0.141 0.000 1.065 14 L CA 1.453 56.237 54.840 -0.093 0.000 0.859 14 L CB 0.175 42.219 42.059 -0.024 0.000 1.269 14 L HN 0.339 nan 8.230 nan 0.000 0.484 15 G N 0.032 108.653 108.800 -0.298 0.000 2.674 15 G HA2 -0.158 3.811 3.960 0.015 0.000 0.686 15 G HA3 -0.158 3.811 3.960 0.015 0.000 0.686 15 G C 0.292 174.879 174.900 -0.521 0.000 1.195 15 G CA 0.103 44.993 45.100 -0.349 0.000 0.776 15 G HN 0.292 nan 8.290 nan 0.000 0.654 16 E N 0.140 119.980 120.200 -0.600 0.000 2.097 16 E HA -0.199 4.161 4.350 0.015 0.000 0.196 16 E C 2.058 178.615 176.600 -0.071 0.000 1.000 16 E CA 2.062 58.205 56.400 -0.429 0.000 0.804 16 E CB 0.002 29.663 29.700 -0.065 0.000 0.740 16 E HN 0.510 nan 8.360 nan 0.000 0.454 17 E N 0.661 120.831 120.200 -0.050 0.000 2.031 17 E HA -0.160 4.199 4.350 0.015 0.000 0.193 17 E C 1.927 178.541 176.600 0.023 0.000 0.994 17 E CA 1.054 57.460 56.400 0.011 0.000 0.800 17 E CB -0.470 29.233 29.700 0.005 0.000 0.752 17 E HN 0.397 nan 8.360 nan 0.000 0.447 18 N N 0.147 118.846 118.700 -0.001 0.000 2.188 18 N HA -0.120 4.629 4.740 0.015 0.000 0.184 18 N C 1.862 177.392 175.510 0.033 0.000 1.018 18 N CA 0.514 53.570 53.050 0.011 0.000 0.858 18 N CB -0.354 38.131 38.487 -0.004 0.000 0.989 18 N HN 0.093 nan 8.380 nan 0.000 0.426 19 F N 2.742 122.606 119.950 -0.144 0.000 2.051 19 F HA -0.139 4.397 4.527 0.015 0.000 0.296 19 F C 2.252 178.048 175.800 -0.007 0.000 1.122 19 F CA 1.532 59.467 58.000 -0.109 0.000 1.201 19 F CB -0.167 38.688 39.000 -0.241 0.000 0.978 19 F HN -0.166 nan 8.300 nan 0.000 0.472 20 K N 0.124 120.629 120.400 0.176 0.000 2.113 20 K HA -0.214 4.115 4.320 0.015 0.000 0.208 20 K C 2.210 178.816 176.600 0.010 0.000 1.047 20 K CA 1.348 57.694 56.287 0.099 0.000 0.928 20 K CB -0.590 32.008 32.500 0.164 0.000 0.716 20 K HN 0.419 nan 8.250 nan 0.000 0.446 21 A N 1.040 123.870 122.820 0.016 0.000 1.929 21 A HA -0.061 4.268 4.320 0.015 0.000 0.216 21 A C 2.080 179.655 177.584 -0.014 0.000 1.176 21 A CA 0.949 53.000 52.037 0.024 0.000 0.628 21 A CB -0.361 18.663 19.000 0.040 0.000 0.816 21 A HN 0.137 nan 8.150 nan 0.000 0.444 22 L N -0.733 120.441 121.223 -0.082 0.000 2.072 22 L HA -0.109 4.240 4.340 0.015 0.000 0.205 22 L C 2.490 179.260 176.870 -0.167 0.000 1.079 22 L CA 0.726 55.489 54.840 -0.129 0.000 0.752 22 L CB -0.403 41.554 42.059 -0.171 0.000 0.906 22 L HN 0.223 nan 8.230 nan 0.000 0.436 23 V N 0.158 119.930 119.914 -0.236 0.000 2.332 23 V HA -0.309 3.821 4.120 0.015 0.000 0.248 23 V C 2.383 178.521 176.094 0.075 0.000 1.055 23 V CA 1.860 64.064 62.300 -0.160 0.000 1.038 23 V CB -0.312 31.395 31.823 -0.193 0.000 0.651 23 V HN 0.349 nan 8.190 nan 0.000 0.450 24 L N -0.157 121.102 121.223 0.060 0.000 1.994 24 L HA -0.154 4.195 4.340 0.015 0.000 0.208 24 L C 2.238 179.178 176.870 0.117 0.000 1.071 24 L CA 1.979 56.886 54.840 0.111 0.000 0.745 24 L CB -0.398 41.724 42.059 0.105 0.000 0.892 24 L HN 0.205 nan 8.230 nan 0.000 0.431 25 I N -0.081 120.533 120.570 0.073 0.000 2.151 25 I HA -0.357 3.822 4.170 0.015 0.000 0.243 25 I C 2.668 178.808 176.117 0.039 0.000 1.080 25 I CA 1.339 62.676 61.300 0.063 0.000 1.339 25 I CB -0.825 37.194 38.000 0.032 0.000 1.039 25 I HN 0.441 nan 8.210 nan 0.000 0.409 26 A N 0.708 123.513 122.820 -0.025 0.000 1.877 26 A HA -0.211 4.118 4.320 0.015 0.000 0.216 26 A C 2.080 179.736 177.584 0.121 0.000 1.186 26 A CA 1.543 53.541 52.037 -0.064 0.000 0.620 26 A CB -0.989 17.802 19.000 -0.349 0.000 0.822 26 A HN 0.330 nan 8.150 nan 0.000 0.443 27 F N 0.005 120.004 119.950 0.082 0.000 2.365 27 F HA 0.006 4.542 4.527 0.015 0.000 0.300 27 F C 2.569 178.263 175.800 -0.176 0.000 1.090 27 F CA 0.637 58.630 58.000 -0.011 0.000 1.408 27 F CB -0.215 38.646 39.000 -0.231 0.000 1.060 27 F HN 0.268 nan 8.300 nan 0.000 0.534 28 A N -1.003 121.863 122.820 0.076 0.000 2.030 28 A HA -0.077 4.252 4.320 0.015 0.000 0.215 28 A C 1.991 179.638 177.584 0.104 0.000 1.164 28 A CA 0.560 52.671 52.037 0.123 0.000 0.697 28 A CB -0.415 18.693 19.000 0.180 0.000 0.827 28 A HN 0.383 nan 8.150 nan 0.000 0.457 29 Q N -1.952 117.886 119.800 0.063 0.000 2.435 29 Q HA -0.037 4.312 4.340 0.015 0.000 0.207 29 Q C 0.906 176.796 176.000 -0.184 0.000 0.956 29 Q CA 0.896 56.659 55.803 -0.067 0.000 0.917 29 Q CB -0.029 28.623 28.738 -0.143 0.000 0.997 29 Q HN 0.853 nan 8.270 nan 0.000 0.497 30 Y N -0.206 120.099 120.300 0.008 0.000 2.488 30 Y HA 0.120 4.679 4.550 0.015 0.000 0.262 30 Y C 0.832 176.703 175.900 -0.049 0.000 1.108 30 Y CA -0.079 58.000 58.100 -0.035 0.000 1.299 30 Y CB 0.337 38.742 38.460 -0.092 0.000 1.231 30 Y HN -0.123 nan 8.280 nan 0.000 0.507 31 L N 3.010 124.318 121.223 0.142 0.000 2.416 31 L HA 0.062 4.411 4.340 0.015 0.000 0.243 31 L C 0.290 177.405 176.870 0.408 0.000 1.373 31 L CA 0.174 55.067 54.840 0.088 0.000 1.227 31 L CB -0.527 41.623 42.059 0.151 0.000 1.428 31 L HN 0.404 nan 8.230 nan 0.000 0.425 32 Q N -0.377 119.622 119.800 0.331 0.000 2.466 32 Q HA -0.056 4.293 4.340 0.015 0.000 0.210 32 Q C 0.987 177.127 176.000 0.233 0.000 0.961 32 Q CA 0.385 56.331 55.803 0.238 0.000 0.953 32 Q CB 0.134 28.942 28.738 0.116 0.000 1.011 32 Q HN 0.565 nan 8.270 nan 0.000 0.516 33 Q N -0.649 119.369 119.800 0.364 0.000 2.217 33 Q HA 0.153 4.502 4.340 0.015 0.000 0.217 33 Q C -0.122 175.945 176.000 0.112 0.000 0.844 33 Q CA 0.031 55.914 55.803 0.135 0.000 0.957 33 Q CB 0.805 29.467 28.738 -0.127 0.000 1.127 33 Q HN 0.264 nan 8.270 nan 0.000 0.503 34 C N 2.618 122.057 119.300 0.231 0.000 2.466 34 C HA 0.460 4.929 4.460 0.015 0.000 0.379 34 C C -1.921 173.027 174.990 -0.071 0.000 1.251 34 C CA -1.135 57.915 59.018 0.054 0.000 2.263 34 C CB 0.863 28.643 27.740 0.067 0.000 2.511 34 C HN 0.232 nan 8.230 nan 0.000 0.573 35 P HA 0.087 nan 4.420 nan 0.000 0.271 35 P C 0.490 177.580 177.300 -0.351 0.000 1.233 35 P CA -0.169 62.856 63.100 -0.124 0.000 0.789 35 P CB 0.307 31.951 31.700 -0.093 0.000 0.951 36 F N 1.914 121.502 119.950 -0.603 0.000 2.051 36 F HA -0.214 4.322 4.527 0.015 0.000 0.296 36 F C 1.790 177.351 175.800 -0.400 0.000 1.122 36 F CA 1.883 59.402 58.000 -0.803 0.000 1.201 36 F CB -0.797 37.762 39.000 -0.735 0.000 0.978 36 F HN 0.308 nan 8.300 nan 0.000 0.472 37 E N 0.071 120.153 120.200 -0.196 0.000 2.339 37 E HA -0.229 4.130 4.350 0.015 0.000 0.201 37 E C 1.546 178.004 176.600 -0.236 0.000 1.015 37 E CA 1.568 57.851 56.400 -0.195 0.000 0.841 37 E CB -0.500 29.157 29.700 -0.072 0.000 0.754 37 E HN 0.481 nan 8.360 nan 0.000 0.508 38 D N -0.990 119.252 120.400 -0.263 0.000 2.162 38 D HA -0.047 4.602 4.640 0.015 0.000 0.205 38 D C 1.521 177.716 176.300 -0.175 0.000 0.964 38 D CA 0.802 54.678 54.000 -0.207 0.000 0.847 38 D CB 0.003 40.686 40.800 -0.194 0.000 0.988 38 D HN 0.208 nan 8.370 nan 0.000 0.480 39 H N -0.275 118.616 119.070 -0.297 0.000 2.395 39 H HA 0.064 4.630 4.556 0.015 0.000 0.299 39 H C 2.121 177.228 175.328 -0.368 0.000 1.070 39 H CA 0.340 56.203 56.048 -0.309 0.000 1.356 39 H CB -0.441 29.203 29.762 -0.198 0.000 1.401 39 H HN -0.008 nan 8.280 nan 0.000 0.524 40 V N 1.110 120.800 119.914 -0.373 0.000 2.594 40 V HA -0.242 3.887 4.120 0.015 0.000 0.253 40 V C 2.629 178.604 176.094 -0.198 0.000 1.069 40 V CA 2.284 64.372 62.300 -0.353 0.000 1.082 40 V CB -0.804 30.733 31.823 -0.477 0.000 0.680 40 V HN 0.618 nan 8.190 nan 0.000 0.469 41 K N -0.207 120.083 120.400 -0.183 0.000 2.116 41 K HA 0.056 4.385 4.320 0.015 0.000 0.203 41 K C 1.962 178.479 176.600 -0.139 0.000 1.052 41 K CA 1.201 57.410 56.287 -0.131 0.000 0.952 41 K CB -0.596 31.832 32.500 -0.120 0.000 0.729 41 K HN 0.456 nan 8.250 nan 0.000 0.446 42 L N 0.490 121.583 121.223 -0.218 0.000 1.976 42 L HA -0.185 4.164 4.340 0.015 0.000 0.209 42 L C 2.570 179.330 176.870 -0.183 0.000 1.071 42 L CA 1.281 55.926 54.840 -0.325 0.000 0.746 42 L CB -0.715 40.901 42.059 -0.737 0.000 0.890 42 L HN 0.189 nan 8.230 nan 0.000 0.432 43 V N 0.409 120.237 119.914 -0.143 0.000 2.370 43 V HA -0.327 3.802 4.120 0.015 0.000 0.252 43 V C 2.229 178.363 176.094 0.067 0.000 1.068 43 V CA 1.997 64.301 62.300 0.007 0.000 1.061 43 V CB -0.739 31.081 31.823 -0.005 0.000 0.656 43 V HN 0.500 nan 8.190 nan 0.000 0.455 44 N N -0.354 118.356 118.700 0.018 0.000 2.216 44 N HA -0.112 4.638 4.740 0.015 0.000 0.183 44 N C 1.885 177.437 175.510 0.070 0.000 1.017 44 N CA 1.129 54.210 53.050 0.051 0.000 0.861 44 N CB -0.148 38.345 38.487 0.009 0.000 0.986 44 N HN 0.597 nan 8.380 nan 0.000 0.428 45 E N 0.104 120.324 120.200 0.034 0.000 2.072 45 E HA -0.054 4.305 4.350 0.015 0.000 0.191 45 E C 1.875 178.554 176.600 0.131 0.000 0.985 45 E CA 0.639 57.067 56.400 0.046 0.000 0.801 45 E CB 0.177 29.864 29.700 -0.021 0.000 0.750 45 E HN 0.018 nan 8.360 nan 0.000 0.452 46 V N 0.706 120.721 119.914 0.168 0.000 2.307 46 V HA -0.227 3.902 4.120 0.015 0.000 0.245 46 V C 2.234 178.597 176.094 0.449 0.000 1.045 46 V CA 2.049 64.539 62.300 0.316 0.000 1.024 46 V CB -0.515 31.514 31.823 0.343 0.000 0.651 46 V HN 0.330 nan 8.190 nan 0.000 0.449 47 T N -0.942 113.863 114.554 0.417 0.000 2.821 47 T HA -0.185 4.174 4.350 0.015 0.000 0.267 47 T C 1.968 176.772 174.700 0.175 0.000 1.046 47 T CA 1.572 63.948 62.100 0.460 0.000 1.139 47 T CB -0.174 68.963 68.868 0.448 0.000 0.871 47 T HN 0.496 nan 8.240 nan 0.000 0.454 48 E N 0.255 120.547 120.200 0.153 0.000 2.268 48 E HA -0.048 4.311 4.350 0.015 0.000 0.195 48 E C 1.621 178.263 176.600 0.071 0.000 0.995 48 E CA 0.399 56.843 56.400 0.072 0.000 0.836 48 E CB -0.416 29.331 29.700 0.080 0.000 0.763 48 E HN 0.675 nan 8.360 nan 0.000 0.491 49 F N 0.780 120.728 119.950 -0.003 0.000 2.094 49 F HA 0.222 4.758 4.527 0.015 0.000 0.291 49 F C 2.408 178.154 175.800 -0.090 0.000 1.109 49 F CA 1.438 59.430 58.000 -0.014 0.000 1.221 49 F CB -1.014 38.017 39.000 0.052 0.000 1.014 49 F HN 0.213 nan 8.300 nan 0.000 0.473 50 A N 0.011 122.714 122.820 -0.195 0.000 1.986 50 A HA -0.273 4.056 4.320 0.015 0.000 0.220 50 A C 2.170 179.264 177.584 -0.817 0.000 1.171 50 A CA 2.145 53.879 52.037 -0.505 0.000 0.640 50 A CB -0.811 17.908 19.000 -0.468 0.000 0.811 50 A HN 0.467 nan 8.150 nan 0.000 0.451 51 K N -1.541 118.416 120.400 -0.738 0.000 2.228 51 K HA 0.006 4.336 4.320 0.015 0.000 0.202 51 K C 2.022 178.378 176.600 -0.407 0.000 1.051 51 K CA 1.282 57.169 56.287 -0.667 0.000 0.960 51 K CB -0.125 32.102 32.500 -0.455 0.000 0.743 51 K HN 0.427 nan 8.250 nan 0.000 0.458 52 T N -0.154 114.187 114.554 -0.355 0.000 2.777 52 T HA -0.138 4.221 4.350 0.015 0.000 0.266 52 T C 1.822 176.337 174.700 -0.308 0.000 1.040 52 T CA 1.212 63.154 62.100 -0.263 0.000 1.141 52 T CB -0.265 68.484 68.868 -0.200 0.000 0.868 52 T HN 0.312 nan 8.240 nan 0.000 0.444 53 c N 0.893 119.215 118.600 -0.463 0.000 2.440 53 c HA 0.020 4.599 4.570 0.015 0.000 0.278 53 c C 2.794 176.725 174.090 -0.266 0.000 1.295 53 c CA 0.064 56.159 56.329 -0.389 0.000 1.738 53 c CB -1.119 41.086 42.510 -0.508 0.000 1.987 53 c HN 0.342 nan 8.230 nan 0.000 0.492 54 V N 1.325 121.054 119.914 -0.309 0.000 2.490 54 V HA -0.217 3.912 4.120 0.015 0.000 0.250 54 V C 2.627 178.631 176.094 -0.150 0.000 1.061 54 V CA 2.137 64.306 62.300 -0.219 0.000 1.064 54 V CB -1.103 30.548 31.823 -0.287 0.000 0.670 54 V HN 0.618 nan 8.190 nan 0.000 0.461 55 A N -0.486 122.237 122.820 -0.161 0.000 1.855 55 A HA -0.121 4.208 4.320 0.015 0.000 0.215 55 A C 1.339 178.872 177.584 -0.086 0.000 1.191 55 A CA 1.716 53.688 52.037 -0.109 0.000 0.613 55 A CB -0.137 18.799 19.000 -0.107 0.000 0.829 55 A HN 0.531 nan 8.150 nan 0.000 0.442 56 D N -1.232 119.109 120.400 -0.098 0.000 2.421 56 D HA 0.329 4.978 4.640 0.015 0.000 0.254 56 D C 0.268 176.519 176.300 -0.082 0.000 1.238 56 D CA -0.361 53.595 54.000 -0.072 0.000 0.919 56 D CB 0.842 41.608 40.800 -0.056 0.000 1.152 56 D HN 0.385 nan 8.370 nan 0.000 0.552 57 E N 0.834 120.994 120.200 -0.066 0.000 2.396 57 E HA -0.093 4.266 4.350 0.015 0.000 0.200 57 E C 0.889 177.464 176.600 -0.041 0.000 1.023 57 E CA 0.681 57.046 56.400 -0.059 0.000 0.857 57 E CB 0.130 29.808 29.700 -0.037 0.000 0.775 57 E HN 0.170 nan 8.360 nan 0.000 0.525 58 S N 0.202 115.883 115.700 -0.033 0.000 2.540 58 S HA 0.281 4.760 4.470 0.015 0.000 0.218 58 S C 0.574 175.168 174.600 -0.009 0.000 0.977 58 S CA -0.160 58.032 58.200 -0.014 0.000 0.918 58 S CB 0.495 63.689 63.200 -0.009 0.000 0.806 58 S HN 0.359 nan 8.310 nan 0.000 0.496 59 A N 2.003 124.806 122.820 -0.029 0.000 2.483 59 A HA 0.198 4.527 4.320 0.015 0.000 0.238 59 A C 0.561 178.163 177.584 0.029 0.000 1.070 59 A CA -0.117 51.910 52.037 -0.017 0.000 0.770 59 A CB 0.115 19.079 19.000 -0.061 0.000 1.008 59 A HN 0.205 nan 8.150 nan 0.000 0.497 60 E N 1.628 121.864 120.200 0.061 0.000 2.608 60 E HA -0.111 4.248 4.350 0.015 0.000 0.259 60 E C 0.546 177.262 176.600 0.193 0.000 0.951 60 E CA 0.874 57.335 56.400 0.101 0.000 0.945 60 E CB -0.112 29.641 29.700 0.088 0.000 0.916 60 E HN 0.743 nan 8.360 nan 0.000 0.477 61 N N 1.181 119.985 118.700 0.173 0.000 2.936 61 N HA -0.248 4.501 4.740 0.015 0.000 0.236 61 N C 0.713 176.441 175.510 0.363 0.000 0.930 61 N CA 1.039 54.233 53.050 0.240 0.000 0.966 61 N CB -1.623 36.996 38.487 0.221 0.000 1.090 61 N HN 0.455 nan 8.380 nan 0.000 0.592 62 c N 1.540 120.278 118.600 0.230 0.000 2.472 62 c HA -0.044 4.535 4.570 0.015 0.000 0.278 62 c C 2.159 176.311 174.090 0.103 0.000 1.447 62 c CA 0.750 57.141 56.329 0.103 0.000 1.773 62 c CB -0.899 41.570 42.510 -0.069 0.000 1.793 62 c HN 0.530 nan 8.230 nan 0.000 0.544 63 D N 0.937 121.402 120.400 0.108 0.000 2.183 63 D HA -0.060 4.589 4.640 0.015 0.000 0.205 63 D C 0.511 176.872 176.300 0.101 0.000 0.962 63 D CA 0.448 54.497 54.000 0.083 0.000 0.849 63 D CB -0.327 40.510 40.800 0.062 0.000 0.978 63 D HN 0.409 nan 8.370 nan 0.000 0.488 64 K N 1.718 122.194 120.400 0.126 0.000 2.508 64 K HA 0.025 4.354 4.320 0.015 0.000 0.273 64 K C 0.798 177.478 176.600 0.134 0.000 0.964 64 K CA 0.177 56.537 56.287 0.123 0.000 0.948 64 K CB 0.288 32.863 32.500 0.126 0.000 0.917 64 K HN 0.216 nan 8.250 nan 0.000 0.512 65 S N 1.336 117.111 115.700 0.125 0.000 2.584 65 S HA 0.131 4.611 4.470 0.015 0.000 0.273 65 S C 1.498 176.186 174.600 0.146 0.000 1.311 65 S CA -0.800 57.482 58.200 0.137 0.000 1.034 65 S CB 0.695 63.985 63.200 0.149 0.000 0.939 65 S HN 0.562 nan 8.310 nan 0.000 0.513 66 L N 1.241 122.533 121.223 0.115 0.000 2.081 66 L HA -0.185 4.164 4.340 0.015 0.000 0.212 66 L C 2.481 179.381 176.870 0.051 0.000 1.080 66 L CA 1.803 56.681 54.840 0.063 0.000 0.754 66 L CB -0.741 41.299 42.059 -0.033 0.000 0.893 66 L HN 0.860 nan 8.230 nan 0.000 0.433 67 H N -1.284 117.831 119.070 0.075 0.000 2.353 67 H HA -0.142 4.423 4.556 0.015 0.000 0.300 67 H C 2.307 177.709 175.328 0.124 0.000 1.090 67 H CA 1.975 58.079 56.048 0.093 0.000 1.327 67 H CB 0.077 29.883 29.762 0.074 0.000 1.383 67 H HN 0.235 nan 8.280 nan 0.000 0.508 68 T N 0.400 115.091 114.554 0.229 0.000 2.770 68 T HA -0.090 4.269 4.350 0.015 0.000 0.263 68 T C 2.157 176.926 174.700 0.115 0.000 1.039 68 T CA 0.890 63.079 62.100 0.150 0.000 1.142 68 T CB -0.279 68.656 68.868 0.112 0.000 0.868 68 T HN 0.182 nan 8.240 nan 0.000 0.435 69 L N -0.132 121.161 121.223 0.116 0.000 2.083 69 L HA -0.058 4.291 4.340 0.015 0.000 0.209 69 L C 2.278 179.196 176.870 0.080 0.000 1.083 69 L CA 1.212 56.095 54.840 0.070 0.000 0.752 69 L CB -0.460 41.662 42.059 0.105 0.000 0.899 69 L HN 0.188 nan 8.230 nan 0.000 0.433 70 F N 0.843 120.755 119.950 -0.064 0.000 2.051 70 F HA -0.130 4.406 4.527 0.015 0.000 0.296 70 F C 2.322 178.035 175.800 -0.145 0.000 1.122 70 F CA 1.651 59.548 58.000 -0.172 0.000 1.201 70 F CB -0.954 37.867 39.000 -0.299 0.000 0.978 70 F HN -0.011 nan 8.300 nan 0.000 0.472 71 G N -0.589 108.165 108.800 -0.076 0.000 2.462 71 G HA2 -0.279 3.690 3.960 0.015 0.000 0.220 71 G HA3 -0.279 3.690 3.960 0.015 0.000 0.220 71 G C 1.326 176.190 174.900 -0.060 0.000 1.121 71 G CA 1.149 46.209 45.100 -0.066 0.000 0.758 71 G HN 0.344 nan 8.290 nan 0.000 0.559 72 D N 0.120 120.492 120.400 -0.048 0.000 2.117 72 D HA -0.019 4.630 4.640 0.015 0.000 0.198 72 D C 2.467 178.714 176.300 -0.089 0.000 0.982 72 D CA 0.624 54.597 54.000 -0.044 0.000 0.828 72 D CB -0.028 40.748 40.800 -0.040 0.000 0.967 72 D HN 0.054 nan 8.370 nan 0.000 0.464 73 K N 0.311 120.638 120.400 -0.121 0.000 2.057 73 K HA -0.053 4.276 4.320 0.015 0.000 0.206 73 K C 2.165 178.670 176.600 -0.158 0.000 1.050 73 K CA 0.267 56.493 56.287 -0.101 0.000 0.935 73 K CB -0.584 31.951 32.500 0.058 0.000 0.715 73 K HN 0.117 nan 8.250 nan 0.000 0.439 74 L N 0.730 121.767 121.223 -0.310 0.000 2.079 74 L HA -0.233 4.116 4.340 0.015 0.000 0.210 74 L C 2.235 178.984 176.870 -0.203 0.000 1.081 74 L CA 1.458 56.061 54.840 -0.395 0.000 0.752 74 L CB -0.521 41.008 42.059 -0.883 0.000 0.896 74 L HN 0.147 nan 8.230 nan 0.000 0.433 75 c N -1.256 117.287 118.600 -0.096 0.000 2.576 75 c HA 0.012 4.591 4.570 0.015 0.000 0.267 75 c C 2.389 176.470 174.090 -0.015 0.000 1.364 75 c CA 0.853 57.186 56.329 0.006 0.000 1.723 75 c CB -1.702 40.842 42.510 0.057 0.000 1.778 75 c HN 0.683 nan 8.230 nan 0.000 0.572 76 T N -2.856 111.667 114.554 -0.052 0.000 3.107 76 T HA 0.103 4.462 4.350 0.015 0.000 0.249 76 T C 0.439 175.114 174.700 -0.041 0.000 1.096 76 T CA 0.215 62.287 62.100 -0.047 0.000 1.012 76 T CB -0.298 68.530 68.868 -0.068 0.000 0.977 76 T HN 0.147 nan 8.240 nan 0.000 0.527 77 V N 2.847 122.738 119.914 -0.039 0.000 2.359 77 V HA 0.364 4.493 4.120 0.015 0.000 0.248 77 V C 1.945 178.053 176.094 0.022 0.000 1.091 77 V CA 0.019 62.313 62.300 -0.010 0.000 1.103 77 V CB -1.068 30.761 31.823 0.009 0.000 1.176 77 V HN 0.622 nan 8.190 nan 0.000 0.488 78 A N 4.360 127.186 122.820 0.009 0.000 2.084 78 A HA -0.185 4.144 4.320 0.015 0.000 0.221 78 A C 2.180 179.783 177.584 0.031 0.000 1.161 78 A CA 2.271 54.317 52.037 0.015 0.000 0.653 78 A CB -0.366 18.634 19.000 0.001 0.000 0.802 78 A HN 0.877 nan 8.150 nan 0.000 0.457 79 T N -3.344 111.238 114.554 0.047 0.000 3.145 79 T HA 0.244 4.603 4.350 0.015 0.000 0.255 79 T C 1.345 176.112 174.700 0.112 0.000 1.039 79 T CA 0.471 62.603 62.100 0.053 0.000 0.928 79 T CB -0.260 68.626 68.868 0.029 0.000 1.029 79 T HN 0.125 nan 8.240 nan 0.000 0.554 80 L N 1.634 122.952 121.223 0.160 0.000 2.079 80 L HA 0.060 4.409 4.340 0.015 0.000 0.210 80 L C 2.704 179.723 176.870 0.248 0.000 1.081 80 L CA 1.966 56.976 54.840 0.283 0.000 0.752 80 L CB -0.460 41.698 42.059 0.165 0.000 0.896 80 L HN 0.359 nan 8.230 nan 0.000 0.433 81 R N -1.118 119.459 120.500 0.129 0.000 2.062 81 R HA -0.140 4.209 4.340 0.015 0.000 0.229 81 R C 2.330 178.661 176.300 0.052 0.000 1.128 81 R CA 1.512 57.664 56.100 0.086 0.000 0.960 81 R CB -0.476 29.856 30.300 0.052 0.000 0.855 81 R HN 0.282 nan 8.270 nan 0.000 0.432 82 E N -0.601 119.617 120.200 0.029 0.000 2.106 82 E HA -0.093 4.266 4.350 0.015 0.000 0.192 82 E C 1.725 178.292 176.600 -0.054 0.000 0.984 82 E CA 1.793 58.188 56.400 -0.009 0.000 0.806 82 E CB -0.273 29.419 29.700 -0.014 0.000 0.750 82 E HN 0.702 nan 8.360 nan 0.000 0.458 83 T N -0.810 113.689 114.554 -0.092 0.000 2.814 83 T HA 0.002 4.361 4.350 0.015 0.000 0.254 83 T C 1.545 176.013 174.700 -0.388 0.000 1.037 83 T CA 1.320 63.237 62.100 -0.306 0.000 1.143 83 T CB -0.334 68.207 68.868 -0.545 0.000 0.866 83 T HN 0.463 nan 8.240 nan 0.000 0.431 84 Y N 0.989 121.304 120.300 0.024 0.000 2.497 84 Y HA 0.387 4.946 4.550 0.015 0.000 0.265 84 Y C 2.163 178.061 175.900 -0.004 0.000 1.111 84 Y CA -0.236 57.879 58.100 0.025 0.000 1.288 84 Y CB -0.565 37.931 38.460 0.061 0.000 1.082 84 Y HN 0.385 nan 8.280 nan 0.000 0.536 85 G N 1.082 109.952 108.800 0.117 0.000 2.698 85 G HA2 -0.526 3.443 3.960 0.015 0.000 0.337 85 G HA3 -0.526 3.443 3.960 0.015 0.000 0.337 85 G C 1.277 176.191 174.900 0.024 0.000 1.196 85 G CA 1.082 46.212 45.100 0.051 0.000 0.965 85 G HN 0.372 nan 8.290 nan 0.000 0.550 86 E N -0.128 120.046 120.200 -0.044 0.000 2.197 86 E HA -0.314 4.045 4.350 0.015 0.000 0.205 86 E C 2.538 179.011 176.600 -0.211 0.000 1.029 86 E CA 2.084 58.398 56.400 -0.144 0.000 0.828 86 E CB -0.199 29.355 29.700 -0.243 0.000 0.737 86 E HN 0.578 nan 8.360 nan 0.000 0.464 87 M N -0.201 119.302 119.600 -0.162 0.000 2.175 87 M HA -0.118 4.371 4.480 0.015 0.000 0.264 87 M C 2.072 178.463 176.300 0.151 0.000 1.063 87 M CA 1.669 56.988 55.300 0.033 0.000 1.119 87 M CB 0.011 32.735 32.600 0.207 0.000 1.377 87 M HN 0.103 nan 8.290 nan 0.000 0.415 88 A N 0.137 123.033 122.820 0.127 0.000 2.178 88 A HA -0.167 4.163 4.320 0.015 0.000 0.218 88 A C 1.445 179.066 177.584 0.062 0.000 1.157 88 A CA 1.785 53.896 52.037 0.122 0.000 0.689 88 A CB -0.766 18.296 19.000 0.105 0.000 0.787 88 A HN 0.585 nan 8.150 nan 0.000 0.465 89 D N -0.857 119.560 120.400 0.028 0.000 2.234 89 D HA -0.055 4.594 4.640 0.015 0.000 0.205 89 D C 1.812 178.092 176.300 -0.034 0.000 0.962 89 D CA 0.780 54.782 54.000 0.004 0.000 0.855 89 D CB -0.385 40.419 40.800 0.007 0.000 0.951 89 D HN 0.465 nan 8.370 nan 0.000 0.500 90 c N 0.287 118.833 118.600 -0.090 0.000 2.413 90 c HA -0.151 4.428 4.570 0.015 0.000 0.277 90 c C 2.833 176.769 174.090 -0.257 0.000 1.265 90 c CA 0.174 56.319 56.329 -0.306 0.000 1.752 90 c CB -0.998 40.997 42.510 -0.857 0.000 1.998 90 c HN 0.428 nan 8.230 nan 0.000 0.489 91 c N 1.172 119.711 118.600 -0.103 0.000 2.413 91 c HA -0.020 4.559 4.570 0.015 0.000 0.292 91 c C 2.750 176.830 174.090 -0.017 0.000 1.435 91 c CA 1.073 57.400 56.329 -0.003 0.000 1.791 91 c CB -1.846 40.710 42.510 0.077 0.000 1.784 91 c HN 0.726 nan 8.230 nan 0.000 0.548 92 A N -0.014 122.785 122.820 -0.034 0.000 2.178 92 A HA 0.071 4.400 4.320 0.015 0.000 0.211 92 A C 1.019 178.584 177.584 -0.031 0.000 1.157 92 A CA 0.388 52.411 52.037 -0.022 0.000 0.780 92 A CB -0.045 18.946 19.000 -0.016 0.000 0.828 92 A HN 0.684 nan 8.150 nan 0.000 0.476 93 K N -0.765 119.601 120.400 -0.056 0.000 2.127 93 K HA 0.573 4.902 4.320 0.015 0.000 0.240 93 K C 0.508 177.085 176.600 -0.039 0.000 1.024 93 K CA 0.025 56.280 56.287 -0.053 0.000 0.918 93 K CB 0.135 32.587 32.500 -0.081 0.000 1.108 93 K HN 0.264 nan 8.250 nan 0.000 0.485 94 Q N 1.018 120.800 119.800 -0.030 0.000 2.247 94 Q HA 0.038 4.387 4.340 0.015 0.000 0.184 94 Q C 1.047 177.038 176.000 -0.015 0.000 1.067 94 Q CA 0.109 55.903 55.803 -0.016 0.000 1.115 94 Q CB 0.012 28.743 28.738 -0.012 0.000 1.147 94 Q HN 0.705 nan 8.270 nan 0.000 0.599 95 E N 0.013 120.212 120.200 -0.001 0.000 1.987 95 E HA -0.068 4.292 4.350 0.015 0.000 0.200 95 E C -0.525 176.065 176.600 -0.016 0.000 0.990 95 E CA 1.522 57.926 56.400 0.006 0.000 0.859 95 E CB -1.393 28.319 29.700 0.019 0.000 0.805 95 E HN 0.553 nan 8.360 nan 0.000 0.499 96 P HA -0.233 nan 4.420 nan 0.000 0.225 96 P C 0.793 178.069 177.300 -0.040 0.000 1.154 96 P CA 2.879 65.949 63.100 -0.051 0.000 0.933 96 P CB -0.250 31.423 31.700 -0.044 0.000 0.790 97 E N -1.482 118.695 120.200 -0.038 0.000 2.481 97 E HA -0.058 4.301 4.350 0.015 0.000 0.195 97 E C 2.087 178.637 176.600 -0.084 0.000 1.047 97 E CA 0.064 56.435 56.400 -0.048 0.000 0.867 97 E CB -0.354 29.319 29.700 -0.045 0.000 0.858 97 E HN 0.240 nan 8.360 nan 0.000 0.513 98 R N 1.431 121.881 120.500 -0.084 0.000 2.055 98 R HA -0.108 4.241 4.340 0.015 0.000 0.226 98 R C 2.134 178.332 176.300 -0.170 0.000 1.135 98 R CA 1.552 57.547 56.100 -0.175 0.000 0.959 98 R CB -0.138 30.109 30.300 -0.089 0.000 0.854 98 R HN 0.086 nan 8.270 nan 0.000 0.431 99 N N 0.640 119.362 118.700 0.037 0.000 2.018 99 N HA -0.221 4.528 4.740 0.015 0.000 0.196 99 N C 1.595 177.201 175.510 0.161 0.000 1.043 99 N CA 1.907 55.075 53.050 0.196 0.000 0.856 99 N CB -0.101 38.468 38.487 0.136 0.000 1.042 99 N HN 0.192 nan 8.380 nan 0.000 0.423 100 E N 0.055 120.297 120.200 0.070 0.000 2.097 100 E HA -0.225 4.134 4.350 0.015 0.000 0.196 100 E C 2.187 178.785 176.600 -0.004 0.000 1.000 100 E CA 0.962 57.405 56.400 0.071 0.000 0.804 100 E CB -0.937 28.788 29.700 0.042 0.000 0.740 100 E HN 0.514 nan 8.360 nan 0.000 0.454 101 c N 0.153 118.691 118.600 -0.103 0.000 2.413 101 c HA -0.168 4.411 4.570 0.015 0.000 0.277 101 c C 2.563 176.554 174.090 -0.165 0.000 1.265 101 c CA 0.459 56.659 56.329 -0.215 0.000 1.752 101 c CB -1.344 40.987 42.510 -0.298 0.000 1.998 101 c HN 0.266 nan 8.230 nan 0.000 0.489 102 F N 1.959 121.953 119.950 0.074 0.000 2.084 102 F HA 0.049 4.585 4.527 0.015 0.000 0.296 102 F C 2.117 178.048 175.800 0.218 0.000 1.111 102 F CA 1.740 59.847 58.000 0.179 0.000 1.224 102 F CB -1.060 38.045 39.000 0.176 0.000 0.991 102 F HN 0.239 nan 8.300 nan 0.000 0.471 103 L N -1.752 119.695 121.223 0.372 0.000 2.622 103 L HA 0.031 4.380 4.340 0.015 0.000 0.233 103 L C 1.849 178.732 176.870 0.021 0.000 1.156 103 L CA 0.771 55.702 54.840 0.151 0.000 0.866 103 L CB -1.049 41.042 42.059 0.053 0.000 0.980 103 L HN 0.156 nan 8.230 nan 0.000 0.448 104 Q N -0.296 119.483 119.800 -0.035 0.000 2.137 104 Q HA -0.062 4.287 4.340 0.015 0.000 0.198 104 Q C 1.224 177.145 176.000 -0.132 0.000 0.960 104 Q CA 0.858 56.563 55.803 -0.164 0.000 0.847 104 Q CB 0.206 28.732 28.738 -0.353 0.000 0.915 104 Q HN 0.635 nan 8.270 nan 0.000 0.448 105 H N -0.057 119.096 119.070 0.138 0.000 2.567 105 H HA 0.210 4.775 4.556 0.015 0.000 0.294 105 H C -0.345 175.066 175.328 0.138 0.000 1.050 105 H CA 0.176 56.310 56.048 0.144 0.000 1.168 105 H CB -0.025 29.845 29.762 0.179 0.000 1.422 105 H HN 0.010 nan 8.280 nan 0.000 0.562 106 K N 1.712 122.213 120.400 0.168 0.000 2.297 106 K HA 0.036 4.365 4.320 0.015 0.000 0.286 106 K C -0.223 176.470 176.600 0.155 0.000 1.053 106 K CA -0.337 55.994 56.287 0.073 0.000 0.940 106 K CB 0.919 33.343 32.500 -0.127 0.000 1.019 106 K HN 0.141 nan 8.250 nan 0.000 0.475 107 D N 2.144 122.624 120.400 0.133 0.000 2.264 107 D HA 0.048 4.697 4.640 0.015 0.000 0.250 107 D C 0.627 177.014 176.300 0.145 0.000 1.113 107 D CA 0.226 54.305 54.000 0.131 0.000 0.871 107 D CB 1.536 42.397 40.800 0.102 0.000 1.167 107 D HN 0.789 nan 8.370 nan 0.000 0.447 108 D N 1.805 122.273 120.400 0.114 0.000 2.289 108 D HA -0.050 4.599 4.640 0.015 0.000 0.207 108 D C 0.947 177.260 176.300 0.023 0.000 0.966 108 D CA 0.725 54.763 54.000 0.065 0.000 0.868 108 D CB -0.435 40.332 40.800 -0.055 0.000 0.943 108 D HN 0.542 nan 8.370 nan 0.000 0.514 109 N N 0.998 119.705 118.700 0.013 0.000 2.723 109 N HA 0.516 5.265 4.740 0.015 0.000 0.290 109 N C -2.731 172.770 175.510 -0.015 0.000 1.882 109 N CA -0.835 52.207 53.050 -0.013 0.000 0.851 109 N CB 0.391 38.870 38.487 -0.013 0.000 1.234 109 N HN 0.102 nan 8.380 nan 0.000 0.491 110 P HA 0.108 nan 4.420 nan 0.000 0.263 110 P C 0.616 177.896 177.300 -0.034 0.000 1.168 110 P CA 0.442 63.530 63.100 -0.020 0.000 0.759 110 P CB 0.325 32.002 31.700 -0.040 0.000 0.782 111 N N 3.546 122.234 118.700 -0.020 0.000 3.303 111 N HA 0.265 5.014 4.740 0.015 0.000 0.304 111 N C -0.103 175.390 175.510 -0.029 0.000 1.302 111 N CA -0.285 52.751 53.050 -0.023 0.000 1.213 111 N CB -0.633 nan 38.487 nan 0.000 1.481 111 N HN 0.268 nan 8.380 nan 0.000 0.546 112 L N -0.004 121.194 121.223 -0.042 0.000 2.334 112 L HA 0.602 4.951 4.340 0.015 0.000 0.272 112 L C -1.825 175.018 176.870 -0.044 0.000 1.020 112 L CA -1.981 52.831 54.840 -0.046 0.000 0.812 112 L CB 1.813 43.833 42.059 -0.065 0.000 1.264 112 L HN 0.279 nan 8.230 nan 0.000 0.439 113 P HA 0.095 nan 4.420 nan 0.000 0.268 113 P C -0.862 176.418 177.300 -0.035 0.000 1.205 113 P CA -0.493 62.589 63.100 -0.030 0.000 0.771 113 P CB 0.366 32.051 31.700 -0.025 0.000 0.858 114 R N 2.581 123.066 120.500 -0.024 0.000 2.638 114 R HA 0.062 4.411 4.340 0.015 0.000 0.268 114 R C -0.688 175.604 176.300 -0.013 0.000 1.006 114 R CA -0.312 55.777 56.100 -0.019 0.000 1.088 114 R CB -0.062 30.235 30.300 -0.005 0.000 0.950 114 R HN 0.327 nan 8.270 nan 0.000 0.419 115 L N 5.560 126.778 121.223 -0.009 0.000 2.278 115 L HA 0.172 4.521 4.340 0.015 0.000 0.287 115 L C -0.461 176.435 176.870 0.042 0.000 1.072 115 L CA -0.285 54.558 54.840 0.004 0.000 0.819 115 L CB 1.373 43.433 42.059 0.002 0.000 1.176 115 L HN 0.572 nan 8.230 nan 0.000 0.435 116 V N 2.978 122.923 119.914 0.052 0.000 2.567 116 V HA 0.511 4.640 4.120 0.015 0.000 0.289 116 V C 0.328 176.490 176.094 0.113 0.000 1.049 116 V CA -0.932 61.410 62.300 0.069 0.000 0.969 116 V CB 1.179 33.035 31.823 0.054 0.000 0.995 116 V HN 0.809 nan 8.190 nan 0.000 0.471 117 R N 5.075 125.638 120.500 0.105 0.000 2.242 117 R HA 0.391 4.740 4.340 0.015 0.000 0.334 117 R C -1.915 174.455 176.300 0.116 0.000 1.071 117 R CA -1.345 54.828 56.100 0.122 0.000 0.922 117 R CB 0.638 30.996 30.300 0.097 0.000 1.023 117 R HN 0.812 nan 8.270 nan 0.000 0.458 118 P HA 0.020 nan 4.420 nan 0.000 0.285 118 P C -0.784 176.576 177.300 0.101 0.000 1.282 118 P CA -0.152 63.027 63.100 0.133 0.000 0.778 118 P CB 0.470 32.280 31.700 0.183 0.000 1.222 119 E N -0.486 119.766 120.200 0.086 0.000 2.283 119 E HA 0.081 4.440 4.350 0.015 0.000 0.278 119 E C 1.507 178.140 176.600 0.055 0.000 1.027 119 E CA -0.456 55.978 56.400 0.057 0.000 0.843 119 E CB 1.087 30.813 29.700 0.043 0.000 1.062 119 E HN 0.048 nan 8.360 nan 0.000 0.401 120 V N 3.323 123.251 119.914 0.024 0.000 2.311 120 V HA -0.346 3.783 4.120 0.015 0.000 0.256 120 V C 1.374 177.472 176.094 0.006 0.000 1.077 120 V CA 2.397 64.694 62.300 -0.005 0.000 1.067 120 V CB -0.434 31.362 31.823 -0.046 0.000 0.659 120 V HN 0.635 nan 8.190 nan 0.000 0.451 121 D N -0.526 119.879 120.400 0.010 0.000 2.178 121 D HA -0.103 4.546 4.640 0.015 0.000 0.202 121 D C 1.976 178.293 176.300 0.028 0.000 0.974 121 D CA 1.267 55.272 54.000 0.009 0.000 0.841 121 D CB -0.073 40.730 40.800 0.004 0.000 0.953 121 D HN 0.428 nan 8.370 nan 0.000 0.478 122 V N -0.382 119.562 119.914 0.050 0.000 2.379 122 V HA -0.194 3.935 4.120 0.015 0.000 0.245 122 V C 2.296 178.441 176.094 0.085 0.000 1.044 122 V CA 1.090 63.432 62.300 0.071 0.000 1.036 122 V CB -0.597 31.281 31.823 0.093 0.000 0.664 122 V HN 0.164 nan 8.190 nan 0.000 0.453 123 M N -0.022 119.647 119.600 0.115 0.000 2.084 123 M HA -0.222 4.267 4.480 0.015 0.000 0.259 123 M C 2.436 178.697 176.300 -0.065 0.000 1.072 123 M CA 2.508 57.884 55.300 0.127 0.000 1.107 123 M CB -0.582 32.203 32.600 0.310 0.000 1.299 123 M HN 0.441 nan 8.290 nan 0.000 0.413 124 c N 0.004 118.622 118.600 0.030 0.000 2.398 124 c HA -0.178 4.401 4.570 0.015 0.000 0.279 124 c C 2.697 176.839 174.090 0.088 0.000 1.250 124 c CA 1.592 57.953 56.329 0.053 0.000 1.786 124 c CB -1.275 41.248 42.510 0.022 0.000 2.018 124 c HN 0.618 nan 8.230 nan 0.000 0.494 125 T N 0.286 114.861 114.554 0.035 0.000 2.942 125 T HA 0.032 4.391 4.350 0.015 0.000 0.265 125 T C 2.054 176.777 174.700 0.038 0.000 1.062 125 T CA 1.209 63.336 62.100 0.045 0.000 1.139 125 T CB -0.208 68.673 68.868 0.022 0.000 0.883 125 T HN 0.637 nan 8.240 nan 0.000 0.468 126 A N 0.986 123.782 122.820 -0.041 0.000 1.897 126 A HA 0.081 4.410 4.320 0.015 0.000 0.215 126 A C 1.942 179.396 177.584 -0.217 0.000 1.181 126 A CA 0.887 52.890 52.037 -0.056 0.000 0.620 126 A CB -0.862 18.173 19.000 0.059 0.000 0.821 126 A HN 0.457 nan 8.150 nan 0.000 0.443 127 F N 0.229 119.760 119.950 -0.698 0.000 2.102 127 F HA -0.219 4.317 4.527 0.015 0.000 0.298 127 F C 2.390 178.075 175.800 -0.191 0.000 1.105 127 F CA 2.309 59.934 58.000 -0.625 0.000 1.239 127 F CB -0.409 38.251 39.000 -0.566 0.000 0.991 127 F HN 0.496 nan 8.300 nan 0.000 0.474 128 H N 0.145 119.174 119.070 -0.068 0.000 2.353 128 H HA -0.129 4.436 4.556 0.015 0.000 0.300 128 H C 1.510 176.760 175.328 -0.130 0.000 1.090 128 H CA 2.017 58.006 56.048 -0.097 0.000 1.327 128 H CB -0.297 29.475 29.762 0.017 0.000 1.383 128 H HN 0.313 nan 8.280 nan 0.000 0.508 129 D N 0.034 120.459 120.400 0.041 0.000 2.137 129 D HA -0.079 4.570 4.640 0.015 0.000 0.202 129 D C 0.913 177.175 176.300 -0.064 0.000 0.970 129 D CA 1.284 55.295 54.000 0.018 0.000 0.837 129 D CB -0.290 40.554 40.800 0.074 0.000 0.981 129 D HN 0.556 nan 8.370 nan 0.000 0.475 130 N N 0.840 119.502 118.700 -0.064 0.000 2.722 130 N HA 0.116 4.865 4.740 0.015 0.000 0.242 130 N C 0.555 176.042 175.510 -0.039 0.000 1.398 130 N CA -0.201 52.824 53.050 -0.041 0.000 0.755 130 N CB 0.040 38.544 38.487 0.029 0.000 1.268 130 N HN 0.067 nan 8.380 nan 0.000 0.522 131 E N -0.218 119.866 120.200 -0.193 0.000 2.160 131 E HA -0.245 4.114 4.350 0.015 0.000 0.195 131 E C 1.315 177.905 176.600 -0.017 0.000 0.991 131 E CA 1.497 57.736 56.400 -0.268 0.000 0.810 131 E CB 0.221 29.573 29.700 -0.581 0.000 0.742 131 E HN 0.754 nan 8.360 nan 0.000 0.466 132 E N -0.465 119.737 120.200 0.003 0.000 2.028 132 E HA -0.130 4.229 4.350 0.015 0.000 0.190 132 E C 2.240 178.914 176.600 0.124 0.000 0.984 132 E CA 1.694 58.133 56.400 0.065 0.000 0.800 132 E CB -0.062 29.668 29.700 0.050 0.000 0.758 132 E HN 0.414 nan 8.360 nan 0.000 0.448 133 T N -0.935 113.697 114.554 0.129 0.000 2.929 133 T HA -0.151 4.208 4.350 0.015 0.000 0.271 133 T C 1.747 176.492 174.700 0.076 0.000 1.085 133 T CA 0.786 62.978 62.100 0.153 0.000 1.125 133 T CB -0.430 68.523 68.868 0.142 0.000 0.874 133 T HN 0.132 nan 8.240 nan 0.000 0.494 134 F N 1.544 121.496 119.950 0.004 0.000 2.163 134 F HA 0.261 4.797 4.527 0.015 0.000 0.297 134 F C 1.844 177.688 175.800 0.075 0.000 1.094 134 F CA 0.824 58.844 58.000 0.033 0.000 1.290 134 F CB -0.236 38.776 39.000 0.019 0.000 1.017 134 F HN 0.094 nan 8.300 nan 0.000 0.483 135 L N -0.105 121.140 121.223 0.037 0.000 2.131 135 L HA -0.118 4.231 4.340 0.015 0.000 0.206 135 L C 2.451 179.330 176.870 0.015 0.000 1.087 135 L CA 0.654 55.473 54.840 -0.035 0.000 0.767 135 L CB -0.651 41.468 42.059 0.101 0.000 0.917 135 L HN -0.081 nan 8.230 nan 0.000 0.441 136 K N 0.568 121.031 120.400 0.104 0.000 2.026 136 K HA -0.163 4.166 4.320 0.015 0.000 0.208 136 K C 2.033 178.773 176.600 0.232 0.000 1.048 136 K CA 1.273 57.713 56.287 0.254 0.000 0.929 136 K CB -0.328 32.438 32.500 0.445 0.000 0.713 136 K HN 0.181 nan 8.250 nan 0.000 0.439 137 K N -0.371 119.866 120.400 -0.272 0.000 2.063 137 K HA -0.152 4.177 4.320 0.015 0.000 0.208 137 K C 2.259 178.659 176.600 -0.333 0.000 1.048 137 K CA 1.497 57.286 56.287 -0.830 0.000 0.928 137 K CB -0.164 31.728 32.500 -1.014 0.000 0.713 137 K HN 0.129 nan 8.250 nan 0.000 0.442 138 Y N 0.242 120.347 120.300 -0.327 0.000 2.373 138 Y HA -0.165 4.394 4.550 0.015 0.000 0.293 138 Y C 1.983 177.794 175.900 -0.149 0.000 1.129 138 Y CA 0.486 58.415 58.100 -0.285 0.000 1.226 138 Y CB -0.037 38.128 38.460 -0.491 0.000 1.000 138 Y HN 0.039 nan 8.280 nan 0.000 0.549 139 L N -0.689 120.575 121.223 0.068 0.000 2.027 139 L HA -0.227 4.122 4.340 0.015 0.000 0.206 139 L C 2.335 179.286 176.870 0.135 0.000 1.074 139 L CA 1.798 56.690 54.840 0.086 0.000 0.745 139 L CB -1.261 40.876 42.059 0.128 0.000 0.898 139 L HN 0.384 nan 8.230 nan 0.000 0.433 140 Y N 0.268 120.631 120.300 0.106 0.000 2.165 140 Y HA -0.246 4.314 4.550 0.015 0.000 0.286 140 Y C 2.284 178.228 175.900 0.074 0.000 1.155 140 Y CA 2.101 60.305 58.100 0.174 0.000 1.164 140 Y CB -0.228 38.473 38.460 0.402 0.000 0.978 140 Y HN 0.292 nan 8.280 nan 0.000 0.513 141 E N 0.513 120.641 120.200 -0.119 0.000 2.110 141 E HA -0.202 4.158 4.350 0.015 0.000 0.193 141 E C 2.239 178.719 176.600 -0.200 0.000 0.988 141 E CA 1.647 57.880 56.400 -0.279 0.000 0.804 141 E CB -0.487 29.061 29.700 -0.253 0.000 0.745 141 E HN 0.752 nan 8.360 nan 0.000 0.458 142 I N -0.246 120.263 120.570 -0.101 0.000 2.716 142 I HA 0.004 4.183 4.170 0.015 0.000 0.259 142 I C 2.093 178.218 176.117 0.013 0.000 1.172 142 I CA 0.953 62.237 61.300 -0.027 0.000 1.478 142 I CB 0.074 38.040 38.000 -0.057 0.000 1.104 142 I HN -0.069 nan 8.210 nan 0.000 0.439 143 A N 2.488 125.291 122.820 -0.028 0.000 1.858 143 A HA -0.230 4.099 4.320 0.015 0.000 0.216 143 A C 2.338 179.910 177.584 -0.020 0.000 1.190 143 A CA 2.102 54.146 52.037 0.011 0.000 0.617 143 A CB -0.770 18.251 19.000 0.035 0.000 0.827 143 A HN 0.627 nan 8.150 nan 0.000 0.443 144 R N -0.617 119.807 120.500 -0.127 0.000 2.189 144 R HA 0.023 4.372 4.340 0.015 0.000 0.223 144 R C 1.934 178.164 176.300 -0.118 0.000 1.092 144 R CA 1.452 57.478 56.100 -0.124 0.000 0.989 144 R CB -0.339 29.822 30.300 -0.233 0.000 0.876 144 R HN 0.425 nan 8.270 nan 0.000 0.457 145 R N -0.245 120.159 120.500 -0.161 0.000 2.200 145 R HA 0.072 4.421 4.340 0.015 0.000 0.208 145 R C -0.112 175.918 176.300 -0.450 0.000 1.033 145 R CA 0.748 56.672 56.100 -0.293 0.000 1.000 145 R CB 0.217 30.308 30.300 -0.349 0.000 0.906 145 R HN 0.402 nan 8.270 nan 0.000 0.462 146 H N -0.716 118.345 119.070 -0.015 0.000 2.569 146 H HA 0.152 4.717 4.556 0.015 0.000 0.247 146 H C -1.990 173.401 175.328 0.104 0.000 1.346 146 H CA -1.752 54.333 56.048 0.062 0.000 1.502 146 H CB 1.414 31.189 29.762 0.021 0.000 1.512 146 H HN -0.028 nan 8.280 nan 0.000 0.502 147 P HA -0.110 nan 4.420 nan 0.000 0.241 147 P C 0.297 177.578 177.300 -0.031 0.000 1.191 147 P CA 0.903 64.017 63.100 0.024 0.000 0.771 147 P CB 0.344 32.004 31.700 -0.068 0.000 0.929 148 Y N -1.869 118.494 120.300 0.105 0.000 2.458 148 Y HA 0.269 4.828 4.550 0.016 0.000 0.256 148 Y C 0.859 176.859 175.900 0.166 0.000 1.159 148 Y CA -0.619 57.538 58.100 0.095 0.000 1.261 148 Y CB -0.253 38.249 38.460 0.070 0.000 1.119 148 Y HN -0.201 nan 8.280 nan 0.000 0.524 149 F N 0.588 120.652 119.950 0.190 0.000 2.467 149 F HA 0.100 4.636 4.527 0.015 0.000 0.362 149 F C 0.144 176.050 175.800 0.176 0.000 1.090 149 F CA -1.163 56.938 58.000 0.169 0.000 1.202 149 F CB 0.132 39.197 39.000 0.108 0.000 1.113 149 F HN -0.019 nan 8.300 nan 0.000 0.541 150 Y N 6.982 127.109 120.300 -0.288 0.000 2.802 150 Y HA 0.154 4.713 4.550 0.015 0.000 0.351 150 Y C 1.060 176.966 175.900 0.011 0.000 1.237 150 Y CA -0.290 57.725 58.100 -0.141 0.000 1.599 150 Y CB -0.019 38.321 38.460 -0.200 0.000 1.214 150 Y HN 0.804 nan 8.280 nan 0.000 0.520 151 A N 7.940 130.626 122.820 -0.224 0.000 1.870 151 A HA -0.275 4.055 4.320 0.015 0.000 0.219 151 A C -0.143 177.287 177.584 -0.258 0.000 1.286 151 A CA 2.263 54.188 52.037 -0.188 0.000 0.682 151 A CB -2.016 16.857 19.000 -0.212 0.000 0.844 151 A HN 0.690 nan 8.150 nan 0.000 0.460 152 P HA -0.232 nan 4.420 nan 0.000 0.219 152 P C 1.447 178.674 177.300 -0.123 0.000 1.153 152 P CA 1.958 64.852 63.100 -0.343 0.000 0.865 152 P CB -0.097 31.304 31.700 -0.498 0.000 0.788 153 E N -1.172 118.968 120.200 -0.101 0.000 2.107 153 E HA -0.163 4.196 4.350 0.015 0.000 0.191 153 E C 1.830 178.750 176.600 0.534 0.000 0.982 153 E CA 0.562 57.048 56.400 0.143 0.000 0.809 153 E CB -0.458 29.325 29.700 0.138 0.000 0.756 153 E HN 0.047 nan 8.360 nan 0.000 0.459 154 L N 1.025 122.603 121.223 0.590 0.000 2.083 154 L HA -0.141 4.208 4.340 0.015 0.000 0.209 154 L C 2.204 179.295 176.870 0.370 0.000 1.083 154 L CA 1.193 56.378 54.840 0.575 0.000 0.752 154 L CB -0.513 41.785 42.059 0.399 0.000 0.899 154 L HN 0.224 nan 8.230 nan 0.000 0.433 155 L N -1.361 119.999 121.223 0.228 0.000 2.141 155 L HA -0.167 4.182 4.340 0.015 0.000 0.209 155 L C 2.231 179.200 176.870 0.165 0.000 1.094 155 L CA 1.598 56.530 54.840 0.153 0.000 0.763 155 L CB -0.970 41.133 42.059 0.074 0.000 0.908 155 L HN 0.370 nan 8.230 nan 0.000 0.437 156 F N -0.879 119.080 119.950 0.015 0.000 2.186 156 F HA -0.213 4.323 4.527 0.015 0.000 0.299 156 F C 1.917 177.662 175.800 -0.091 0.000 1.090 156 F CA 1.469 59.398 58.000 -0.119 0.000 1.307 156 F CB -0.330 38.447 39.000 -0.372 0.000 1.019 156 F HN 0.083 nan 8.300 nan 0.000 0.489 157 F N 0.442 120.523 119.950 0.220 0.000 2.146 157 F HA -0.051 4.485 4.527 0.015 0.000 0.298 157 F C 2.604 178.541 175.800 0.229 0.000 1.096 157 F CA 1.208 59.328 58.000 0.199 0.000 1.275 157 F CB -1.356 37.830 39.000 0.309 0.000 1.008 157 F HN 0.053 nan 8.300 nan 0.000 0.480 158 A N 0.309 123.351 122.820 0.369 0.000 1.892 158 A HA -0.273 4.056 4.320 0.015 0.000 0.218 158 A C 2.250 179.958 177.584 0.207 0.000 1.188 158 A CA 2.032 54.236 52.037 0.278 0.000 0.631 158 A CB -0.762 18.333 19.000 0.157 0.000 0.822 158 A HN 0.333 nan 8.150 nan 0.000 0.447 159 K N -0.877 119.554 120.400 0.053 0.000 2.211 159 K HA -0.140 4.189 4.320 0.015 0.000 0.204 159 K C 2.171 178.742 176.600 -0.049 0.000 1.047 159 K CA 1.472 57.744 56.287 -0.024 0.000 0.935 159 K CB -0.169 32.246 32.500 -0.142 0.000 0.728 159 K HN 0.449 nan 8.250 nan 0.000 0.452 160 R N -0.827 119.609 120.500 -0.107 0.000 2.153 160 R HA -0.050 4.299 4.340 0.015 0.000 0.218 160 R C 1.822 178.101 176.300 -0.035 0.000 1.072 160 R CA 0.852 56.872 56.100 -0.134 0.000 0.990 160 R CB -0.062 30.107 30.300 -0.219 0.000 0.889 160 R HN 0.212 nan 8.270 nan 0.000 0.452 161 Y N 0.967 121.333 120.300 0.110 0.000 2.176 161 Y HA -0.141 4.418 4.550 0.015 0.000 0.291 161 Y C 2.416 178.495 175.900 0.297 0.000 1.122 161 Y CA 1.402 59.641 58.100 0.232 0.000 1.128 161 Y CB -0.061 38.520 38.460 0.202 0.000 1.005 161 Y HN -0.124 nan 8.280 nan 0.000 0.509 162 K N 0.370 120.975 120.400 0.342 0.000 2.211 162 K HA -0.196 4.133 4.320 0.015 0.000 0.204 162 K C 2.006 178.749 176.600 0.238 0.000 1.047 162 K CA 1.132 57.603 56.287 0.307 0.000 0.935 162 K CB -0.214 32.441 32.500 0.258 0.000 0.728 162 K HN 0.285 nan 8.250 nan 0.000 0.452 163 A N 0.993 123.900 122.820 0.146 0.000 1.840 163 A HA 0.014 4.343 4.320 0.015 0.000 0.214 163 A C 2.397 180.004 177.584 0.039 0.000 1.198 163 A CA 1.473 53.553 52.037 0.072 0.000 0.608 163 A CB -1.042 17.962 19.000 0.007 0.000 0.839 163 A HN 0.433 nan 8.150 nan 0.000 0.443 164 A N -1.117 121.710 122.820 0.010 0.000 1.948 164 A HA -0.070 4.259 4.320 0.015 0.000 0.220 164 A C 1.976 179.449 177.584 -0.185 0.000 1.177 164 A CA 1.741 53.720 52.037 -0.098 0.000 0.636 164 A CB -0.769 18.131 19.000 -0.166 0.000 0.815 164 A HN 0.461 nan 8.150 nan 0.000 0.449 165 F N -0.219 119.581 119.950 -0.250 0.000 2.060 165 F HA -0.101 4.435 4.527 0.015 0.000 0.295 165 F C 2.847 178.312 175.800 -0.559 0.000 1.120 165 F CA 1.910 59.575 58.000 -0.558 0.000 1.205 165 F CB -1.125 37.256 39.000 -1.032 0.000 0.986 165 F HN 0.110 nan 8.300 nan 0.000 0.470 166 T N -0.469 113.987 114.554 -0.163 0.000 2.649 166 T HA -0.324 4.035 4.350 0.015 0.000 0.268 166 T C 1.931 176.670 174.700 0.065 0.000 1.036 166 T CA 2.055 64.238 62.100 0.138 0.000 1.157 166 T CB -0.368 68.652 68.868 0.253 0.000 0.861 166 T HN 0.423 nan 8.240 nan 0.000 0.445 167 E N -0.758 119.442 120.200 0.000 0.000 2.051 167 E HA -0.100 4.259 4.350 0.015 0.000 0.189 167 E C 2.393 178.964 176.600 -0.047 0.000 0.979 167 E CA 1.237 57.629 56.400 -0.013 0.000 0.803 167 E CB -0.208 29.477 29.700 -0.025 0.000 0.761 167 E HN 0.517 nan 8.360 nan 0.000 0.451 168 c N 0.493 119.027 118.600 -0.110 0.000 2.457 168 c HA -0.015 4.564 4.570 0.015 0.000 0.278 168 c C 2.771 176.796 174.090 -0.109 0.000 1.309 168 c CA 0.174 56.424 56.329 -0.131 0.000 1.735 168 c CB -0.889 41.494 42.510 -0.213 0.000 1.992 168 c HN 0.633 nan 8.230 nan 0.000 0.493 169 c N 0.511 119.040 118.600 -0.119 0.000 2.413 169 c HA -0.028 4.551 4.570 0.015 0.000 0.292 169 c C 2.502 176.603 174.090 0.019 0.000 1.435 169 c CA 1.739 58.039 56.329 -0.047 0.000 1.791 169 c CB -2.070 40.438 42.510 -0.004 0.000 1.784 169 c HN 0.815 nan 8.230 nan 0.000 0.548 170 Q N -1.030 118.782 119.800 0.019 0.000 2.165 170 Q HA 0.725 5.074 4.340 0.015 0.000 0.245 170 Q C 0.246 176.249 176.000 0.006 0.000 0.841 170 Q CA 0.643 56.467 55.803 0.034 0.000 1.078 170 Q CB 0.026 28.802 28.738 0.063 0.000 1.169 170 Q HN 0.688 nan 8.270 nan 0.000 0.475 171 A N -0.534 122.277 122.820 -0.015 0.000 2.624 171 A HA 0.983 5.312 4.320 0.015 0.000 0.267 171 A C 1.348 178.918 177.584 -0.023 0.000 1.282 171 A CA 0.265 52.288 52.037 -0.022 0.000 0.934 171 A CB 0.318 19.295 19.000 -0.038 0.000 1.510 171 A HN 0.922 nan 8.150 nan 0.000 0.477 172 A N -0.853 121.953 122.820 -0.024 0.000 1.908 172 A HA 0.198 4.527 4.320 0.015 0.000 0.217 172 A C 0.908 178.475 177.584 -0.028 0.000 1.378 172 A CA 1.382 53.405 52.037 -0.022 0.000 0.613 172 A CB -0.624 18.364 19.000 -0.019 0.000 1.053 172 A HN 0.638 nan 8.150 nan 0.000 0.484 173 D N 0.105 120.486 120.400 -0.031 0.000 2.845 173 D HA 0.177 4.826 4.640 0.015 0.000 0.235 173 D C 0.966 177.238 176.300 -0.046 0.000 1.158 173 D CA 0.007 53.987 54.000 -0.034 0.000 0.990 173 D CB -0.333 40.449 40.800 -0.031 0.000 1.094 173 D HN 0.320 nan 8.370 nan 0.000 0.486 174 K N 0.423 120.793 120.400 -0.050 0.000 2.159 174 K HA -0.340 3.989 4.320 0.015 0.000 0.217 174 K C 1.745 178.292 176.600 -0.089 0.000 1.048 174 K CA 2.016 58.261 56.287 -0.071 0.000 0.941 174 K CB -0.103 32.358 32.500 -0.065 0.000 0.738 174 K HN 0.361 nan 8.250 nan 0.000 0.469 175 A N 0.829 123.607 122.820 -0.070 0.000 1.873 175 A HA -0.078 4.251 4.320 0.015 0.000 0.215 175 A C 2.350 179.893 177.584 -0.068 0.000 1.186 175 A CA 1.831 53.826 52.037 -0.070 0.000 0.616 175 A CB -0.713 18.259 19.000 -0.047 0.000 0.823 175 A HN 0.410 nan 8.150 nan 0.000 0.442 176 A N -1.206 121.582 122.820 -0.054 0.000 1.986 176 A HA -0.223 4.106 4.320 0.015 0.000 0.220 176 A C 2.363 179.911 177.584 -0.059 0.000 1.171 176 A CA 1.866 53.874 52.037 -0.048 0.000 0.640 176 A CB -1.269 17.709 19.000 -0.038 0.000 0.811 176 A HN 0.726 nan 8.150 nan 0.000 0.451 177 c N -1.645 116.910 118.600 -0.075 0.000 2.961 177 c HA 0.118 4.697 4.570 0.015 0.000 0.287 177 c C 2.345 176.360 174.090 -0.126 0.000 1.310 177 c CA 1.007 57.282 56.329 -0.090 0.000 1.709 177 c CB -1.181 41.273 42.510 -0.093 0.000 2.163 177 c HN 0.543 nan 8.230 nan 0.000 0.517 178 L N 1.072 122.192 121.223 -0.171 0.000 1.997 178 L HA -0.117 4.232 4.340 0.015 0.000 0.216 178 L C 2.339 179.094 176.870 -0.193 0.000 1.074 178 L CA 1.933 56.622 54.840 -0.252 0.000 0.763 178 L CB -1.456 40.410 42.059 -0.323 0.000 0.890 178 L HN 0.360 nan 8.230 nan 0.000 0.434 179 L N -0.246 120.900 121.223 -0.129 0.000 1.997 179 L HA -0.214 4.135 4.340 0.015 0.000 0.216 179 L C -0.383 176.448 176.870 -0.064 0.000 1.074 179 L CA 2.562 57.352 54.840 -0.082 0.000 0.763 179 L CB -1.959 40.068 42.059 -0.053 0.000 0.890 179 L HN 0.253 nan 8.230 nan 0.000 0.434 180 P HA -0.135 nan 4.420 nan 0.000 0.221 180 P C 1.271 178.538 177.300 -0.054 0.000 1.150 180 P CA 1.265 64.339 63.100 -0.044 0.000 0.800 180 P CB -0.032 31.645 31.700 -0.037 0.000 0.787 181 K N -0.092 120.254 120.400 -0.089 0.000 1.984 181 K HA -0.029 4.300 4.320 0.015 0.000 0.209 181 K C 2.149 178.679 176.600 -0.117 0.000 1.046 181 K CA 1.132 57.352 56.287 -0.112 0.000 0.934 181 K CB -1.058 31.345 32.500 -0.162 0.000 0.717 181 K HN 0.196 nan 8.250 nan 0.000 0.438 182 L N 1.549 122.706 121.223 -0.111 0.000 2.081 182 L HA -0.233 4.116 4.340 0.015 0.000 0.212 182 L C 1.982 178.860 176.870 0.014 0.000 1.080 182 L CA 1.219 56.042 54.840 -0.028 0.000 0.754 182 L CB -0.612 41.460 42.059 0.022 0.000 0.893 182 L HN 0.212 nan 8.230 nan 0.000 0.433 183 D N 0.075 120.474 120.400 -0.002 0.000 2.144 183 D HA -0.141 4.508 4.640 0.015 0.000 0.200 183 D C 2.369 178.677 176.300 0.015 0.000 0.978 183 D CA 1.518 55.527 54.000 0.015 0.000 0.833 183 D CB 0.081 40.886 40.800 0.007 0.000 0.961 183 D HN 0.463 nan 8.370 nan 0.000 0.470 184 E N 0.872 121.072 120.200 -0.001 0.000 2.047 184 E HA -0.114 4.245 4.350 0.015 0.000 0.191 184 E C 2.098 178.720 176.600 0.036 0.000 0.987 184 E CA 0.586 56.996 56.400 0.016 0.000 0.799 184 E CB -0.835 28.869 29.700 0.007 0.000 0.752 184 E HN 0.043 nan 8.360 nan 0.000 0.449 185 L N 0.584 121.802 121.223 -0.008 0.000 1.989 185 L HA -0.117 4.232 4.340 0.015 0.000 0.211 185 L C 3.160 180.070 176.870 0.067 0.000 1.071 185 L CA 2.839 57.681 54.840 0.003 0.000 0.749 185 L CB -1.277 40.590 42.059 -0.319 0.000 0.890 185 L HN 0.558 nan 8.230 nan 0.000 0.431 186 R N -0.148 120.399 120.500 0.079 0.000 2.122 186 R HA -0.230 4.119 4.340 0.015 0.000 0.236 186 R C 2.005 178.315 176.300 0.017 0.000 1.129 186 R CA 2.241 58.380 56.100 0.065 0.000 0.925 186 R CB -1.926 28.416 30.300 0.071 0.000 0.850 186 R HN 0.545 nan 8.270 nan 0.000 0.431 187 D N -0.166 120.253 120.400 0.031 0.000 2.144 187 D HA -0.132 4.517 4.640 0.015 0.000 0.199 187 D C 1.915 178.248 176.300 0.056 0.000 0.984 187 D CA 1.436 55.453 54.000 0.029 0.000 0.834 187 D CB -0.182 40.630 40.800 0.019 0.000 0.955 187 D HN 0.706 nan 8.370 nan 0.000 0.465 188 E N 0.313 120.572 120.200 0.099 0.000 2.028 188 E HA -0.107 4.252 4.350 0.015 0.000 0.191 188 E C 2.227 178.908 176.600 0.135 0.000 0.988 188 E CA 0.883 57.403 56.400 0.199 0.000 0.799 188 E CB -0.200 29.700 29.700 0.334 0.000 0.755 188 E HN 0.227 nan 8.360 nan 0.000 0.447 189 G N 1.496 110.219 108.800 -0.128 0.000 2.450 189 G HA2 -0.261 3.708 3.960 0.015 0.000 0.220 189 G HA3 -0.261 3.708 3.960 0.015 0.000 0.220 189 G C 1.494 176.247 174.900 -0.246 0.000 1.130 189 G CA 0.551 45.308 45.100 -0.572 0.000 0.760 189 G HN 0.090 nan 8.290 nan 0.000 0.557 190 K N 0.500 120.831 120.400 -0.114 0.000 2.155 190 K HA 0.125 4.454 4.320 0.015 0.000 0.203 190 K C 2.892 179.522 176.600 0.049 0.000 1.052 190 K CA 0.868 57.130 56.287 -0.041 0.000 0.948 190 K CB -0.130 32.363 32.500 -0.012 0.000 0.728 190 K HN 0.281 nan 8.250 nan 0.000 0.448 191 A N 1.402 124.275 122.820 0.088 0.000 1.897 191 A HA -0.146 4.184 4.320 0.015 0.000 0.215 191 A C 2.307 179.997 177.584 0.176 0.000 1.181 191 A CA 1.933 54.053 52.037 0.139 0.000 0.620 191 A CB -0.540 18.569 19.000 0.182 0.000 0.821 191 A HN 0.332 nan 8.150 nan 0.000 0.443 192 S N -0.394 115.442 115.700 0.228 0.000 2.353 192 S HA -0.180 4.299 4.470 0.015 0.000 0.222 192 S C 2.284 177.054 174.600 0.283 0.000 1.035 192 S CA 2.210 60.591 58.200 0.302 0.000 1.025 192 S CB -0.667 62.832 63.200 0.497 0.000 0.902 192 S HN 0.544 nan 8.310 nan 0.000 0.440 193 S N 0.637 116.554 115.700 0.363 0.000 2.419 193 S HA 0.083 4.562 4.470 0.015 0.000 0.233 193 S C 2.001 176.715 174.600 0.191 0.000 1.016 193 S CA 1.241 59.661 58.200 0.367 0.000 0.974 193 S CB -0.801 62.568 63.200 0.281 0.000 0.786 193 S HN 0.771 nan 8.310 nan 0.000 0.492 194 A N 0.872 123.775 122.820 0.139 0.000 1.968 194 A HA 0.035 4.364 4.320 0.015 0.000 0.217 194 A C 2.089 179.716 177.584 0.072 0.000 1.169 194 A CA 1.221 53.314 52.037 0.094 0.000 0.638 194 A CB -0.322 18.725 19.000 0.079 0.000 0.812 194 A HN 0.590 nan 8.150 nan 0.000 0.446 195 K N -0.757 119.692 120.400 0.082 0.000 2.116 195 K HA -0.073 4.256 4.320 0.015 0.000 0.203 195 K C 2.281 178.900 176.600 0.031 0.000 1.052 195 K CA 1.213 57.528 56.287 0.047 0.000 0.952 195 K CB -0.129 32.412 32.500 0.068 0.000 0.729 195 K HN 0.548 nan 8.250 nan 0.000 0.446 196 Q N 0.895 120.729 119.800 0.058 0.000 2.061 196 Q HA -0.151 4.198 4.340 0.015 0.000 0.204 196 Q C 2.035 178.056 176.000 0.035 0.000 0.984 196 Q CA 1.666 57.495 55.803 0.042 0.000 0.846 196 Q CB 0.135 28.885 28.738 0.021 0.000 0.902 196 Q HN 0.216 nan 8.270 nan 0.000 0.421 197 R N -0.362 120.164 120.500 0.043 0.000 2.092 197 R HA -0.122 4.227 4.340 0.015 0.000 0.231 197 R C 2.251 178.545 176.300 -0.011 0.000 1.119 197 R CA 0.886 56.993 56.100 0.011 0.000 0.970 197 R CB -0.349 29.965 30.300 0.023 0.000 0.864 197 R HN 0.218 nan 8.270 nan 0.000 0.440 198 L N 1.701 122.920 121.223 -0.007 0.000 2.056 198 L HA -0.113 4.236 4.340 0.015 0.000 0.207 198 L C 1.946 178.780 176.870 -0.060 0.000 1.078 198 L CA 1.829 56.653 54.840 -0.027 0.000 0.749 198 L CB -0.439 41.603 42.059 -0.029 0.000 0.901 198 L HN -0.055 nan 8.230 nan 0.000 0.433 199 K N -1.575 118.775 120.400 -0.082 0.000 2.097 199 K HA -0.173 4.156 4.320 0.015 0.000 0.206 199 K C 2.149 178.699 176.600 -0.082 0.000 1.049 199 K CA 1.696 57.908 56.287 -0.124 0.000 0.933 199 K CB -0.251 32.159 32.500 -0.150 0.000 0.717 199 K HN 0.454 nan 8.250 nan 0.000 0.442 200 c N -0.194 118.372 118.600 -0.056 0.000 2.457 200 c HA 0.004 4.583 4.570 0.015 0.000 0.278 200 c C 2.727 176.782 174.090 -0.059 0.000 1.309 200 c CA 0.695 56.987 56.329 -0.060 0.000 1.735 200 c CB -0.685 41.806 42.510 -0.032 0.000 1.992 200 c HN 0.559 nan 8.230 nan 0.000 0.493 201 A N 0.277 123.072 122.820 -0.041 0.000 1.930 201 A HA -0.115 4.215 4.320 0.015 0.000 0.217 201 A C 2.259 179.849 177.584 0.010 0.000 1.175 201 A CA 2.069 54.088 52.037 -0.030 0.000 0.627 201 A CB -0.695 18.294 19.000 -0.019 0.000 0.815 201 A HN 0.527 nan 8.150 nan 0.000 0.443 202 S N -0.414 115.323 115.700 0.061 0.000 2.382 202 S HA -0.121 4.359 4.470 0.015 0.000 0.228 202 S C 1.815 176.531 174.600 0.194 0.000 1.027 202 S CA 1.340 59.674 58.200 0.223 0.000 0.991 202 S CB -0.363 62.896 63.200 0.099 0.000 0.823 202 S HN 0.418 nan 8.310 nan 0.000 0.469 203 L N 2.159 123.400 121.223 0.031 0.000 1.994 203 L HA -0.134 4.215 4.340 0.015 0.000 0.208 203 L C 2.918 179.764 176.870 -0.039 0.000 1.071 203 L CA 2.482 57.280 54.840 -0.069 0.000 0.745 203 L CB -1.567 40.327 42.059 -0.276 0.000 0.892 203 L HN 0.422 nan 8.230 nan 0.000 0.431 204 Q N 0.207 119.972 119.800 -0.058 0.000 1.956 204 Q HA -0.301 4.048 4.340 0.015 0.000 0.208 204 Q C 2.115 178.051 176.000 -0.108 0.000 0.998 204 Q CA 2.750 58.509 55.803 -0.073 0.000 0.855 204 Q CB -1.077 27.616 28.738 -0.076 0.000 0.928 204 Q HN 0.713 nan 8.270 nan 0.000 0.418 205 K N -0.447 119.839 120.400 -0.191 0.000 1.964 205 K HA 0.001 4.330 4.320 0.015 0.000 0.218 205 K C 1.933 178.318 176.600 -0.358 0.000 1.043 205 K CA 1.426 57.478 56.287 -0.393 0.000 0.966 205 K CB -0.618 31.407 32.500 -0.792 0.000 0.739 205 K HN 0.393 nan 8.250 nan 0.000 0.443 206 F N 1.757 121.708 119.950 0.002 0.000 2.373 206 F HA -0.023 4.513 4.527 0.015 0.000 0.300 206 F C 1.450 177.273 175.800 0.038 0.000 1.080 206 F CA 1.111 59.124 58.000 0.021 0.000 1.417 206 F CB -1.175 37.841 39.000 0.027 0.000 1.070 206 F HN 0.459 nan 8.300 nan 0.000 0.546 207 G N 0.203 109.091 108.800 0.146 0.000 2.757 207 G HA2 -0.308 3.661 3.960 0.015 0.000 0.686 207 G HA3 -0.308 3.661 3.960 0.015 0.000 0.686 207 G C 0.497 175.493 174.900 0.161 0.000 1.452 207 G CA 0.046 45.211 45.100 0.108 0.000 0.922 207 G HN 0.335 nan 8.290 nan 0.000 0.588 208 E N -0.020 120.250 120.200 0.116 0.000 2.217 208 E HA -0.348 4.011 4.350 0.015 0.000 0.219 208 E C 2.482 179.227 176.600 0.242 0.000 1.070 208 E CA 2.163 58.664 56.400 0.169 0.000 0.889 208 E CB -0.080 29.685 29.700 0.108 0.000 0.768 208 E HN 0.569 nan 8.360 nan 0.000 0.465 209 R N -0.418 120.192 120.500 0.184 0.000 2.080 209 R HA -0.193 4.156 4.340 0.015 0.000 0.236 209 R C 2.292 178.705 176.300 0.189 0.000 1.137 209 R CA 1.566 57.770 56.100 0.174 0.000 0.943 209 R CB -0.398 29.987 30.300 0.141 0.000 0.846 209 R HN 0.266 nan 8.270 nan 0.000 0.431 210 A N 0.042 122.980 122.820 0.196 0.000 1.969 210 A HA -0.175 4.155 4.320 0.015 0.000 0.218 210 A C 1.948 179.653 177.584 0.200 0.000 1.169 210 A CA 1.092 53.229 52.037 0.167 0.000 0.635 210 A CB -0.660 18.426 19.000 0.144 0.000 0.810 210 A HN 0.522 nan 8.150 nan 0.000 0.445 211 F N 0.486 120.503 119.950 0.111 0.000 2.146 211 F HA -0.094 4.442 4.527 0.015 0.000 0.298 211 F C 2.081 177.991 175.800 0.184 0.000 1.096 211 F CA 2.070 60.137 58.000 0.112 0.000 1.275 211 F CB -0.148 38.893 39.000 0.068 0.000 1.008 211 F HN 0.107 nan 8.300 nan 0.000 0.480 212 K N 0.026 120.563 120.400 0.228 0.000 2.057 212 K HA -0.089 4.240 4.320 0.015 0.000 0.207 212 K C 2.238 178.877 176.600 0.065 0.000 1.049 212 K CA 1.174 57.541 56.287 0.134 0.000 0.931 212 K CB -0.460 32.149 32.500 0.180 0.000 0.714 212 K HN 0.329 nan 8.250 nan 0.000 0.440 213 A N -0.265 122.615 122.820 0.100 0.000 2.015 213 A HA -0.171 4.158 4.320 0.015 0.000 0.219 213 A C 1.850 179.453 177.584 0.031 0.000 1.163 213 A CA 1.058 53.144 52.037 0.082 0.000 0.646 213 A CB -0.691 18.369 19.000 0.101 0.000 0.806 213 A HN 0.601 nan 8.150 nan 0.000 0.448 214 W N 0.437 121.642 121.300 -0.159 0.000 2.407 214 W HA 0.024 4.692 4.660 0.013 0.000 0.305 214 W C 2.401 178.771 176.519 -0.248 0.000 1.196 214 W CA 1.788 59.003 57.345 -0.217 0.000 1.311 214 W CB -0.116 29.173 29.460 -0.286 0.000 1.135 214 W HN 0.299 nan 8.180 nan 0.000 0.514 215 A N -0.420 122.290 122.820 -0.182 0.000 1.969 215 A HA -0.109 4.220 4.320 0.015 0.000 0.218 215 A C 1.955 179.396 177.584 -0.239 0.000 1.169 215 A CA 1.839 53.712 52.037 -0.273 0.000 0.635 215 A CB -1.041 17.847 19.000 -0.186 0.000 0.810 215 A HN 0.170 nan 8.150 nan 0.000 0.445 216 V N -0.295 119.533 119.914 -0.143 0.000 2.307 216 V HA -0.219 3.910 4.120 0.015 0.000 0.245 216 V C 3.048 179.079 176.094 -0.106 0.000 1.045 216 V CA 1.902 64.164 62.300 -0.063 0.000 1.024 216 V CB -0.994 30.854 31.823 0.042 0.000 0.651 216 V HN 0.600 nan 8.190 nan 0.000 0.449 217 A N 0.293 122.995 122.820 -0.196 0.000 1.930 217 A HA -0.244 4.085 4.320 0.015 0.000 0.217 217 A C 2.341 179.708 177.584 -0.361 0.000 1.175 217 A CA 2.106 53.995 52.037 -0.248 0.000 0.627 217 A CB -0.483 18.346 19.000 -0.285 0.000 0.815 217 A HN 0.563 nan 8.150 nan 0.000 0.443 218 R N -0.471 119.698 120.500 -0.553 0.000 2.075 218 R HA 0.114 4.463 4.340 0.015 0.000 0.226 218 R C 1.907 177.935 176.300 -0.452 0.000 1.114 218 R CA 1.185 56.919 56.100 -0.609 0.000 0.972 218 R CB -0.441 29.257 30.300 -1.004 0.000 0.869 218 R HN 0.427 nan 8.270 nan 0.000 0.437 219 L N 0.940 121.941 121.223 -0.371 0.000 2.093 219 L HA -0.092 4.258 4.340 0.015 0.000 0.208 219 L C 2.348 179.043 176.870 -0.291 0.000 1.085 219 L CA 1.630 56.259 54.840 -0.352 0.000 0.755 219 L CB -0.340 41.638 42.059 -0.135 0.000 0.904 219 L HN 0.439 nan 8.230 nan 0.000 0.435 220 S N -1.754 113.866 115.700 -0.133 0.000 2.607 220 S HA -0.126 4.353 4.470 0.015 0.000 0.224 220 S C 1.652 176.153 174.600 -0.165 0.000 0.969 220 S CA 0.407 58.587 58.200 -0.034 0.000 0.927 220 S CB 0.126 63.396 63.200 0.118 0.000 0.772 220 S HN 0.449 nan 8.310 nan 0.000 0.533 221 Q N 0.186 119.842 119.800 -0.239 0.000 2.297 221 Q HA 0.238 4.587 4.340 0.015 0.000 0.203 221 Q C 2.267 178.126 176.000 -0.235 0.000 0.931 221 Q CA 0.295 55.958 55.803 -0.234 0.000 0.885 221 Q CB 0.110 28.698 28.738 -0.249 0.000 0.991 221 Q HN 0.606 nan 8.270 nan 0.000 0.498 222 R N -0.732 119.559 120.500 -0.349 0.000 2.100 222 R HA 0.003 4.352 4.340 0.015 0.000 0.220 222 R C -0.191 175.991 176.300 -0.195 0.000 1.091 222 R CA 0.780 56.633 56.100 -0.411 0.000 0.986 222 R CB 0.415 30.241 30.300 -0.789 0.000 0.888 222 R HN -0.004 nan 8.270 nan 0.000 0.444 223 F N 0.930 120.849 119.950 -0.051 0.000 2.434 223 F HA 0.412 4.949 4.527 0.016 0.000 0.316 223 F C -1.957 173.831 175.800 -0.021 0.000 1.222 223 F CA -3.409 54.577 58.000 -0.024 0.000 1.207 223 F CB 1.289 40.292 39.000 0.005 0.000 1.466 223 F HN -0.036 nan 8.300 nan 0.000 0.545 224 P HA -0.116 nan 4.420 nan 0.000 0.222 224 P C 1.248 178.560 177.300 0.021 0.000 1.147 224 P CA 1.311 64.395 63.100 -0.027 0.000 0.790 224 P CB 0.338 31.985 31.700 -0.088 0.000 0.780 225 K N -0.674 119.768 120.400 0.071 0.000 2.305 225 K HA 0.193 4.522 4.320 0.015 0.000 0.199 225 K C 1.123 177.792 176.600 0.114 0.000 1.047 225 K CA 0.048 56.375 56.287 0.067 0.000 0.976 225 K CB -0.267 32.253 32.500 0.033 0.000 0.765 225 K HN 0.057 nan 8.250 nan 0.000 0.474 226 A N 1.685 124.602 122.820 0.161 0.000 2.448 226 A HA 0.022 4.351 4.320 0.015 0.000 0.239 226 A C -0.322 177.416 177.584 0.257 0.000 1.080 226 A CA 0.063 52.198 52.037 0.163 0.000 0.779 226 A CB 0.157 19.268 19.000 0.184 0.000 1.026 226 A HN 0.200 nan 8.150 nan 0.000 0.499 227 E N -0.183 120.104 120.200 0.144 0.000 2.266 227 E HA 0.260 4.619 4.350 0.015 0.000 0.277 227 E C 0.139 176.673 176.600 -0.110 0.000 1.018 227 E CA -0.429 56.030 56.400 0.099 0.000 0.840 227 E CB 0.850 30.589 29.700 0.066 0.000 1.082 227 E HN 0.610 nan 8.360 nan 0.000 0.395 228 F N 2.869 122.444 119.950 -0.625 0.000 2.225 228 F HA -0.290 4.246 4.527 0.015 0.000 0.302 228 F C 1.770 177.388 175.800 -0.304 0.000 1.068 228 F CA 1.944 59.435 58.000 -0.848 0.000 1.327 228 F CB 0.085 38.590 39.000 -0.825 0.000 1.043 228 F HN 0.556 nan 8.300 nan 0.000 0.506 229 A N -0.759 121.975 122.820 -0.144 0.000 2.016 229 A HA -0.097 4.232 4.320 0.015 0.000 0.217 229 A C 2.009 179.509 177.584 -0.140 0.000 1.162 229 A CA 1.434 53.398 52.037 -0.121 0.000 0.662 229 A CB -0.584 18.425 19.000 0.015 0.000 0.812 229 A HN 0.429 nan 8.150 nan 0.000 0.450 230 E N -0.302 119.842 120.200 -0.094 0.000 2.112 230 E HA -0.041 4.318 4.350 0.015 0.000 0.190 230 E C 1.845 178.424 176.600 -0.035 0.000 0.979 230 E CA 1.087 57.477 56.400 -0.017 0.000 0.814 230 E CB -0.198 29.517 29.700 0.024 0.000 0.762 230 E HN 0.233 nan 8.360 nan 0.000 0.460 231 V N 0.240 120.085 119.914 -0.116 0.000 2.261 231 V HA -0.267 3.862 4.120 0.015 0.000 0.246 231 V C 2.245 178.229 176.094 -0.184 0.000 1.047 231 V CA 2.019 64.266 62.300 -0.088 0.000 1.015 231 V CB -0.716 31.038 31.823 -0.115 0.000 0.642 231 V HN 0.240 nan 8.190 nan 0.000 0.446 232 S N -0.630 114.825 115.700 -0.407 0.000 2.370 232 S HA -0.240 4.239 4.470 0.015 0.000 0.226 232 S C 2.064 176.574 174.600 -0.150 0.000 1.033 232 S CA 1.494 59.491 58.200 -0.338 0.000 1.011 232 S CB -0.347 62.571 63.200 -0.470 0.000 0.852 232 S HN 0.455 nan 8.310 nan 0.000 0.457 233 K N 1.316 121.644 120.400 -0.121 0.000 2.009 233 K HA -0.085 4.244 4.320 0.015 0.000 0.210 233 K C 2.043 178.607 176.600 -0.061 0.000 1.049 233 K CA 1.332 57.569 56.287 -0.085 0.000 0.929 233 K CB -0.601 31.863 32.500 -0.061 0.000 0.714 233 K HN 0.354 nan 8.250 nan 0.000 0.440 234 L N 0.413 121.636 121.223 0.001 0.000 1.994 234 L HA -0.175 4.174 4.340 0.015 0.000 0.208 234 L C 2.545 179.448 176.870 0.056 0.000 1.071 234 L CA 0.845 55.722 54.840 0.062 0.000 0.745 234 L CB -0.600 41.551 42.059 0.153 0.000 0.892 234 L HN -0.073 nan 8.230 nan 0.000 0.431 235 V N -0.450 119.482 119.914 0.029 0.000 2.568 235 V HA -0.304 3.825 4.120 0.015 0.000 0.253 235 V C 2.545 178.689 176.094 0.082 0.000 1.072 235 V CA 2.259 64.586 62.300 0.046 0.000 1.084 235 V CB -0.670 31.151 31.823 -0.004 0.000 0.676 235 V HN 0.497 nan 8.190 nan 0.000 0.469 236 T N -0.633 113.943 114.554 0.037 0.000 2.770 236 T HA -0.136 4.223 4.350 0.015 0.000 0.263 236 T C 1.601 176.331 174.700 0.050 0.000 1.039 236 T CA 1.581 63.707 62.100 0.044 0.000 1.142 236 T CB -0.270 68.597 68.868 -0.002 0.000 0.868 236 T HN 0.481 nan 8.240 nan 0.000 0.435 237 D N 0.941 121.351 120.400 0.017 0.000 2.178 237 D HA 0.037 4.686 4.640 0.015 0.000 0.202 237 D C 2.024 178.356 176.300 0.054 0.000 0.974 237 D CA 0.333 54.336 54.000 0.005 0.000 0.841 237 D CB -0.326 40.446 40.800 -0.047 0.000 0.953 237 D HN 0.224 nan 8.370 nan 0.000 0.478 238 L N 0.565 121.854 121.223 0.110 0.000 1.994 238 L HA -0.186 4.163 4.340 0.015 0.000 0.208 238 L C 2.048 179.101 176.870 0.305 0.000 1.071 238 L CA 1.402 56.351 54.840 0.182 0.000 0.745 238 L CB -0.501 41.700 42.059 0.236 0.000 0.892 238 L HN 0.083 nan 8.230 nan 0.000 0.431 239 T N -0.919 113.872 114.554 0.395 0.000 2.759 239 T HA -0.245 4.114 4.350 0.015 0.000 0.269 239 T C 1.987 176.778 174.700 0.152 0.000 1.042 239 T CA 1.745 64.122 62.100 0.462 0.000 1.140 239 T CB -0.249 68.873 68.868 0.424 0.000 0.864 239 T HN 0.211 nan 8.240 nan 0.000 0.455 240 K N 0.838 121.293 120.400 0.092 0.000 2.148 240 K HA -0.005 4.324 4.320 0.015 0.000 0.204 240 K C 2.293 178.886 176.600 -0.011 0.000 1.050 240 K CA 0.859 57.158 56.287 0.021 0.000 0.942 240 K CB -0.959 31.546 32.500 0.008 0.000 0.724 240 K HN 0.366 nan 8.250 nan 0.000 0.446 241 V N 0.871 120.770 119.914 -0.024 0.000 2.307 241 V HA -0.160 3.969 4.120 0.015 0.000 0.245 241 V C 2.602 178.594 176.094 -0.169 0.000 1.045 241 V CA 2.050 64.279 62.300 -0.118 0.000 1.024 241 V CB -0.684 31.026 31.823 -0.188 0.000 0.651 241 V HN 0.630 nan 8.190 nan 0.000 0.449 242 H N -0.149 118.913 119.070 -0.014 0.000 2.353 242 H HA -0.116 4.450 4.556 0.016 0.000 0.300 242 H C 2.506 177.760 175.328 -0.124 0.000 1.090 242 H CA 1.998 58.004 56.048 -0.071 0.000 1.327 242 H CB -0.458 29.250 29.762 -0.090 0.000 1.383 242 H HN 0.376 nan 8.280 nan 0.000 0.508 243 T N 0.250 114.781 114.554 -0.039 0.000 2.652 243 T HA -0.185 4.174 4.350 0.015 0.000 0.267 243 T C 2.168 176.867 174.700 -0.001 0.000 1.039 243 T CA 1.727 63.794 62.100 -0.056 0.000 1.153 243 T CB -0.176 68.651 68.868 -0.068 0.000 0.863 243 T HN 0.327 nan 8.240 nan 0.000 0.428 244 E N -0.121 120.071 120.200 -0.014 0.000 2.038 244 E HA -0.173 4.186 4.350 0.015 0.000 0.195 244 E C 2.570 179.200 176.600 0.050 0.000 1.000 244 E CA 1.393 57.796 56.400 0.006 0.000 0.803 244 E CB -0.886 28.803 29.700 -0.019 0.000 0.750 244 E HN 0.735 nan 8.360 nan 0.000 0.448 245 c N -0.126 118.469 118.600 -0.009 0.000 2.425 245 c HA -0.128 4.451 4.570 0.015 0.000 0.277 245 c C 2.928 177.061 174.090 0.072 0.000 1.280 245 c CA 0.758 57.077 56.329 -0.016 0.000 1.744 245 c CB -1.384 41.037 42.510 -0.148 0.000 1.989 245 c HN 0.695 nan 8.230 nan 0.000 0.491 246 c N -0.827 117.825 118.600 0.086 0.000 2.413 246 c HA -0.163 4.416 4.570 0.015 0.000 0.277 246 c C 2.687 176.889 174.090 0.188 0.000 1.265 246 c CA 1.053 57.453 56.329 0.118 0.000 1.752 246 c CB -1.851 40.692 42.510 0.056 0.000 1.998 246 c HN 0.685 nan 8.230 nan 0.000 0.489 247 H N 0.103 119.221 119.070 0.080 0.000 2.457 247 H HA -0.064 4.501 4.556 0.015 0.000 0.297 247 H C 1.978 177.393 175.328 0.145 0.000 1.092 247 H CA 1.685 57.792 56.048 0.098 0.000 1.309 247 H CB -0.124 29.670 29.762 0.053 0.000 1.382 247 H HN 0.589 nan 8.280 nan 0.000 0.535 248 G N 0.657 109.537 108.800 0.133 0.000 2.213 248 G HA2 -0.239 3.730 3.960 0.015 0.000 0.226 248 G HA3 -0.239 3.730 3.960 0.015 0.000 0.226 248 G C -0.000 174.893 174.900 -0.012 0.000 0.992 248 G CA 0.264 45.339 45.100 -0.042 0.000 0.632 248 G HN 0.516 nan 8.290 nan 0.000 0.511 249 D N 1.165 121.646 120.400 0.135 0.000 2.344 249 D HA 0.354 5.003 4.640 0.015 0.000 0.253 249 D C 1.649 178.017 176.300 0.113 0.000 1.255 249 D CA -0.350 53.752 54.000 0.171 0.000 0.894 249 D CB 0.850 41.812 40.800 0.269 0.000 1.067 249 D HN 0.139 nan 8.370 nan 0.000 0.492 250 L N 5.468 126.728 121.223 0.060 0.000 1.989 250 L HA -0.153 4.196 4.340 0.015 0.000 0.211 250 L C 1.967 178.862 176.870 0.041 0.000 1.071 250 L CA 1.679 56.555 54.840 0.059 0.000 0.749 250 L CB -0.591 41.445 42.059 -0.038 0.000 0.890 250 L HN 0.567 nan 8.230 nan 0.000 0.431 251 L N -0.647 120.535 121.223 -0.069 0.000 1.990 251 L HA -0.226 4.123 4.340 0.015 0.000 0.213 251 L C 2.763 179.648 176.870 0.025 0.000 1.072 251 L CA 1.556 56.336 54.840 -0.100 0.000 0.755 251 L CB -0.748 41.097 42.059 -0.358 0.000 0.889 251 L HN 0.349 nan 8.230 nan 0.000 0.432 252 E N -0.514 119.748 120.200 0.104 0.000 2.058 252 E HA -0.282 4.077 4.350 0.015 0.000 0.194 252 E C 2.271 178.910 176.600 0.065 0.000 0.997 252 E CA 1.667 58.138 56.400 0.118 0.000 0.801 252 E CB -0.564 29.221 29.700 0.141 0.000 0.746 252 E HN 0.579 nan 8.360 nan 0.000 0.450 253 c N 0.535 119.172 118.600 0.061 0.000 2.440 253 c HA 0.022 4.601 4.570 0.015 0.000 0.278 253 c C 2.786 176.887 174.090 0.018 0.000 1.295 253 c CA 1.270 57.602 56.329 0.005 0.000 1.738 253 c CB -1.020 41.482 42.510 -0.013 0.000 1.987 253 c HN 0.440 nan 8.230 nan 0.000 0.492 254 A N 0.778 123.672 122.820 0.124 0.000 1.845 254 A HA -0.160 4.169 4.320 0.015 0.000 0.215 254 A C 1.923 179.563 177.584 0.094 0.000 1.195 254 A CA 2.273 54.417 52.037 0.179 0.000 0.616 254 A CB -0.990 18.095 19.000 0.142 0.000 0.832 254 A HN 0.608 nan 8.150 nan 0.000 0.443 255 D N 0.206 120.647 120.400 0.068 0.000 2.133 255 D HA -0.149 4.500 4.640 0.015 0.000 0.195 255 D C 1.441 177.768 176.300 0.044 0.000 0.997 255 D CA 1.604 55.640 54.000 0.060 0.000 0.840 255 D CB -0.506 40.331 40.800 0.061 0.000 0.947 255 D HN 0.392 nan 8.370 nan 0.000 0.452 256 D N 0.004 120.418 120.400 0.024 0.000 2.123 256 D HA -0.096 4.553 4.640 0.015 0.000 0.196 256 D C 2.185 178.480 176.300 -0.008 0.000 0.992 256 D CA 0.733 54.732 54.000 -0.001 0.000 0.833 256 D CB -0.091 40.694 40.800 -0.026 0.000 0.954 256 D HN 0.188 nan 8.370 nan 0.000 0.455 257 R N 0.250 120.741 120.500 -0.015 0.000 2.090 257 R HA 0.097 4.446 4.340 0.015 0.000 0.228 257 R C 2.262 178.586 176.300 0.039 0.000 1.110 257 R CA 0.958 57.050 56.100 -0.013 0.000 0.973 257 R CB -0.163 30.115 30.300 -0.036 0.000 0.869 257 R HN 0.081 nan 8.270 nan 0.000 0.440 258 A N 1.620 124.475 122.820 0.059 0.000 1.883 258 A HA -0.225 4.104 4.320 0.015 0.000 0.217 258 A C 1.529 179.153 177.584 0.066 0.000 1.186 258 A CA 1.916 53.994 52.037 0.068 0.000 0.624 258 A CB -0.463 18.580 19.000 0.072 0.000 0.822 258 A HN 0.170 nan 8.150 nan 0.000 0.444 259 D N -0.404 120.031 120.400 0.060 0.000 2.078 259 D HA -0.146 4.503 4.640 0.015 0.000 0.193 259 D C 1.872 178.224 176.300 0.086 0.000 0.990 259 D CA 1.535 55.574 54.000 0.065 0.000 0.827 259 D CB -0.662 40.164 40.800 0.044 0.000 0.975 259 D HN 0.315 nan 8.370 nan 0.000 0.451 260 L N 0.837 122.101 121.223 0.068 0.000 2.189 260 L HA -0.135 4.214 4.340 0.015 0.000 0.214 260 L C 1.953 178.903 176.870 0.133 0.000 1.097 260 L CA 1.718 56.618 54.840 0.099 0.000 0.764 260 L CB -0.742 41.353 42.059 0.060 0.000 0.900 260 L HN -0.015 nan 8.230 nan 0.000 0.436 261 A N -0.562 122.314 122.820 0.092 0.000 1.929 261 A HA -0.045 4.284 4.320 0.015 0.000 0.216 261 A C 2.561 180.183 177.584 0.064 0.000 1.176 261 A CA 1.936 54.018 52.037 0.075 0.000 0.628 261 A CB -0.779 18.259 19.000 0.063 0.000 0.816 261 A HN 0.443 nan 8.150 nan 0.000 0.444 262 K N -0.985 119.462 120.400 0.078 0.000 2.026 262 K HA -0.173 4.156 4.320 0.015 0.000 0.208 262 K C 2.021 178.658 176.600 0.061 0.000 1.048 262 K CA 1.703 58.028 56.287 0.063 0.000 0.929 262 K CB -1.337 31.209 32.500 0.076 0.000 0.713 262 K HN 0.663 nan 8.250 nan 0.000 0.439 263 Y N 1.023 121.321 120.300 -0.004 0.000 2.097 263 Y HA -0.123 4.436 4.550 0.015 0.000 0.282 263 Y C 2.106 177.986 175.900 -0.033 0.000 1.152 263 Y CA 1.866 59.958 58.100 -0.014 0.000 1.136 263 Y CB -0.135 38.319 38.460 -0.009 0.000 0.975 263 Y HN 0.189 nan 8.280 nan 0.000 0.498 264 I N -1.136 119.389 120.570 -0.075 0.000 2.361 264 I HA -0.362 3.817 4.170 0.015 0.000 0.251 264 I C 2.340 178.323 176.117 -0.223 0.000 1.133 264 I CA 1.171 62.356 61.300 -0.192 0.000 1.413 264 I CB -0.660 37.312 38.000 -0.047 0.000 1.073 264 I HN 0.358 nan 8.210 nan 0.000 0.424 265 c N 0.339 118.857 118.600 -0.137 0.000 2.467 265 c HA -0.072 4.507 4.570 0.015 0.000 0.279 265 c C 2.676 176.684 174.090 -0.136 0.000 1.347 265 c CA 0.477 56.738 56.329 -0.112 0.000 1.748 265 c CB -0.721 41.758 42.510 -0.052 0.000 1.977 265 c HN 0.469 nan 8.230 nan 0.000 0.501 266 E N 0.980 121.082 120.200 -0.163 0.000 2.072 266 E HA -0.077 4.282 4.350 0.015 0.000 0.191 266 E C 0.988 177.464 176.600 -0.208 0.000 0.985 266 E CA 0.820 57.128 56.400 -0.154 0.000 0.801 266 E CB -0.057 29.565 29.700 -0.131 0.000 0.750 266 E HN 0.698 nan 8.360 nan 0.000 0.452 267 N N 1.218 119.710 118.700 -0.346 0.000 2.455 267 N HA -0.030 4.719 4.740 0.015 0.000 0.258 267 N C 1.061 176.402 175.510 -0.282 0.000 1.158 267 N CA -0.155 52.694 53.050 -0.334 0.000 0.893 267 N CB 0.398 38.579 38.487 -0.511 0.000 1.173 267 N HN 0.269 nan 8.380 nan 0.000 0.503 268 Q N 0.644 120.309 119.800 -0.225 0.000 2.170 268 Q HA -0.176 4.173 4.340 0.015 0.000 0.203 268 Q C 0.559 176.455 176.000 -0.173 0.000 0.976 268 Q CA 1.399 57.078 55.803 -0.206 0.000 0.858 268 Q CB 0.055 28.701 28.738 -0.152 0.000 0.907 268 Q HN 0.141 nan 8.270 nan 0.000 0.433 269 D N 0.407 120.729 120.400 -0.131 0.000 2.183 269 D HA -0.075 4.574 4.640 0.015 0.000 0.203 269 D C 1.769 178.011 176.300 -0.097 0.000 0.969 269 D CA 1.152 55.094 54.000 -0.096 0.000 0.842 269 D CB -0.013 40.745 40.800 -0.071 0.000 0.957 269 D HN 0.268 nan 8.370 nan 0.000 0.484 270 S N -0.671 114.959 115.700 -0.117 0.000 2.522 270 S HA 0.040 4.519 4.470 0.015 0.000 0.227 270 S C 1.774 176.303 174.600 -0.117 0.000 0.986 270 S CA 0.299 58.441 58.200 -0.097 0.000 0.929 270 S CB 0.143 63.283 63.200 -0.100 0.000 0.769 270 S HN 0.151 nan 8.310 nan 0.000 0.529 271 I N -0.861 119.589 120.570 -0.200 0.000 3.132 271 I HA 0.280 4.459 4.170 0.015 0.000 0.255 271 I C 0.717 176.653 176.117 -0.301 0.000 1.118 271 I CA 0.092 61.199 61.300 -0.323 0.000 1.463 271 I CB 0.516 38.172 38.000 -0.573 0.000 1.356 271 I HN 0.236 nan 8.210 nan 0.000 0.463 272 S N -0.928 114.615 115.700 -0.261 0.000 2.595 272 S HA 0.214 4.693 4.470 0.015 0.000 0.270 272 S C 0.271 174.820 174.600 -0.084 0.000 1.145 272 S CA 0.003 58.131 58.200 -0.120 0.000 0.825 272 S CB 1.059 64.231 63.200 -0.046 0.000 1.107 272 S HN 0.213 nan 8.310 nan 0.000 0.461 273 S N 1.414 117.095 115.700 -0.032 0.000 2.483 273 S HA 0.214 4.693 4.470 0.015 0.000 0.221 273 S C 0.884 175.476 174.600 -0.014 0.000 1.030 273 S CA -0.163 58.020 58.200 -0.028 0.000 0.925 273 S CB -0.360 62.829 63.200 -0.019 0.000 0.795 273 S HN 0.668 nan 8.310 nan 0.000 0.511 274 K N 2.052 122.456 120.400 0.008 0.000 2.632 274 K HA 0.159 4.488 4.320 0.015 0.000 0.196 274 K C 0.672 177.284 176.600 0.020 0.000 1.023 274 K CA 0.302 56.600 56.287 0.018 0.000 1.098 274 K CB -0.568 31.953 32.500 0.034 0.000 0.862 274 K HN 0.671 nan 8.250 nan 0.000 0.504 275 L N -4.782 116.440 121.223 -0.001 0.000 3.289 275 L HA 0.354 4.703 4.340 0.015 0.000 0.291 275 L C 1.516 178.374 176.870 -0.020 0.000 1.279 275 L CA -0.443 54.394 54.840 -0.005 0.000 1.025 275 L CB 0.004 42.055 42.059 -0.013 0.000 1.413 275 L HN -0.242 nan 8.230 nan 0.000 0.593 276 K N 0.979 121.368 120.400 -0.017 0.000 1.985 276 K HA -0.050 4.279 4.320 0.015 0.000 0.210 276 K C 2.157 178.751 176.600 -0.009 0.000 1.047 276 K CA 2.228 58.504 56.287 -0.018 0.000 0.932 276 K CB -1.402 31.090 32.500 -0.015 0.000 0.716 276 K HN 0.574 nan 8.250 nan 0.000 0.439 277 E N 0.338 120.537 120.200 -0.002 0.000 2.065 277 E HA -0.240 4.119 4.350 0.015 0.000 0.201 277 E C 2.349 178.954 176.600 0.009 0.000 1.016 277 E CA 1.821 58.224 56.400 0.006 0.000 0.818 277 E CB -1.648 28.058 29.700 0.010 0.000 0.749 277 E HN 0.696 nan 8.360 nan 0.000 0.453 278 c N -0.423 118.181 118.600 0.006 0.000 2.403 278 c HA -0.131 4.448 4.570 0.015 0.000 0.277 278 c C 2.829 176.925 174.090 0.009 0.000 1.248 278 c CA 0.937 57.271 56.329 0.008 0.000 1.762 278 c CB -1.145 41.367 42.510 0.004 0.000 2.014 278 c HN 0.815 nan 8.230 nan 0.000 0.486 279 c N 0.164 118.763 118.600 -0.001 0.000 2.562 279 c HA 0.130 4.710 4.570 0.015 0.000 0.266 279 c C 2.623 176.713 174.090 0.001 0.000 1.382 279 c CA 1.199 57.525 56.329 -0.006 0.000 1.742 279 c CB -1.643 40.852 42.510 -0.025 0.000 1.812 279 c HN 0.804 nan 8.230 nan 0.000 0.559 280 E N 0.496 120.699 120.200 0.006 0.000 2.472 280 E HA 0.079 4.438 4.350 0.015 0.000 0.196 280 E C 0.770 177.381 176.600 0.018 0.000 1.033 280 E CA 0.134 56.539 56.400 0.009 0.000 0.886 280 E CB -0.032 29.673 29.700 0.007 0.000 0.944 280 E HN 0.601 nan 8.360 nan 0.000 0.492 281 K N 1.114 121.529 120.400 0.025 0.000 2.180 281 K HA 0.300 4.630 4.320 0.015 0.000 0.251 281 K C -2.331 174.291 176.600 0.037 0.000 1.014 281 K CA -1.674 54.635 56.287 0.037 0.000 0.913 281 K CB 0.657 33.187 32.500 0.050 0.000 1.008 281 K HN 0.110 nan 8.250 nan 0.000 0.490 282 P HA -0.018 nan 4.420 nan 0.000 0.272 282 P C 0.817 178.141 177.300 0.040 0.000 1.230 282 P CA -0.358 62.763 63.100 0.035 0.000 0.788 282 P CB 0.420 32.139 31.700 0.033 0.000 0.949 283 L N 2.666 123.907 121.223 0.030 0.000 2.030 283 L HA -0.252 4.097 4.340 0.015 0.000 0.222 283 L C 1.957 178.855 176.870 0.047 0.000 1.082 283 L CA 2.097 56.957 54.840 0.034 0.000 0.785 283 L CB -1.428 40.641 42.059 0.016 0.000 0.895 283 L HN 0.267 nan 8.230 nan 0.000 0.439 284 L N -0.192 121.056 121.223 0.042 0.000 2.127 284 L HA -0.210 4.139 4.340 0.015 0.000 0.211 284 L C 2.236 179.156 176.870 0.083 0.000 1.089 284 L CA 2.162 57.033 54.840 0.051 0.000 0.757 284 L CB -0.642 41.441 42.059 0.040 0.000 0.899 284 L HN 0.608 nan 8.230 nan 0.000 0.434 285 E N -2.423 117.836 120.200 0.098 0.000 2.526 285 E HA -0.006 4.353 4.350 0.015 0.000 0.208 285 E C 1.614 178.281 176.600 0.112 0.000 0.997 285 E CA -0.220 56.261 56.400 0.136 0.000 0.961 285 E CB 0.202 30.005 29.700 0.172 0.000 1.030 285 E HN 0.357 nan 8.360 nan 0.000 0.483 286 K N 1.538 121.989 120.400 0.084 0.000 1.991 286 K HA -0.160 4.169 4.320 0.015 0.000 0.212 286 K C 2.329 178.966 176.600 0.061 0.000 1.049 286 K CA 2.179 58.503 56.287 0.062 0.000 0.932 286 K CB -0.019 32.513 32.500 0.053 0.000 0.717 286 K HN 0.080 nan 8.250 nan 0.000 0.441 287 S N 0.128 115.877 115.700 0.082 0.000 2.356 287 S HA -0.227 4.252 4.470 0.015 0.000 0.223 287 S C 1.942 176.585 174.600 0.073 0.000 1.032 287 S CA 1.624 59.871 58.200 0.078 0.000 1.005 287 S CB -0.806 62.447 63.200 0.088 0.000 0.867 287 S HN 0.432 nan 8.310 nan 0.000 0.449 288 H N 1.270 120.337 119.070 -0.006 0.000 2.319 288 H HA -0.122 4.444 4.556 0.015 0.000 0.297 288 H C 2.438 177.714 175.328 -0.087 0.000 1.097 288 H CA 1.638 57.637 56.048 -0.081 0.000 1.285 288 H CB -1.130 28.520 29.762 -0.186 0.000 1.368 288 H HN 0.483 nan 8.280 nan 0.000 0.495 289 c N 0.141 118.638 118.600 -0.172 0.000 2.386 289 c HA -0.179 4.400 4.570 0.015 0.000 0.279 289 c C 2.936 176.946 174.090 -0.134 0.000 1.208 289 c CA 1.469 57.687 56.329 -0.185 0.000 1.747 289 c CB -1.432 41.055 42.510 -0.039 0.000 2.046 289 c HN 0.707 nan 8.230 nan 0.000 0.453 290 I N 1.500 122.045 120.570 -0.041 0.000 2.194 290 I HA -0.257 3.922 4.170 0.015 0.000 0.246 290 I C 2.838 178.965 176.117 0.016 0.000 1.093 290 I CA 1.926 63.238 61.300 0.021 0.000 1.355 290 I CB -0.832 37.206 38.000 0.064 0.000 1.046 290 I HN 0.477 nan 8.210 nan 0.000 0.413 291 A N 0.080 122.886 122.820 -0.022 0.000 1.940 291 A HA -0.245 4.084 4.320 0.015 0.000 0.219 291 A C 2.186 179.729 177.584 -0.069 0.000 1.176 291 A CA 1.853 53.877 52.037 -0.021 0.000 0.631 291 A CB -0.535 18.462 19.000 -0.004 0.000 0.814 291 A HN 0.489 nan 8.150 nan 0.000 0.446 292 E N -0.813 119.298 120.200 -0.148 0.000 2.479 292 E HA 0.202 4.561 4.350 0.015 0.000 0.193 292 E C 0.019 176.566 176.600 -0.090 0.000 1.049 292 E CA -0.441 55.872 56.400 -0.144 0.000 0.870 292 E CB 0.144 29.689 29.700 -0.259 0.000 0.944 292 E HN 0.312 nan 8.360 nan 0.000 0.492 293 V N 1.227 121.108 119.914 -0.055 0.000 3.061 293 V HA -0.116 4.013 4.120 0.015 0.000 0.306 293 V C 0.329 176.411 176.094 -0.020 0.000 1.118 293 V CA 0.534 62.827 62.300 -0.011 0.000 1.231 293 V CB 1.440 33.300 31.823 0.062 0.000 0.956 293 V HN 0.109 nan 8.190 nan 0.000 0.499 294 E N 4.119 124.316 120.200 -0.005 0.000 2.283 294 E HA 0.233 4.592 4.350 0.015 0.000 0.267 294 E C 0.001 176.593 176.600 -0.013 0.000 1.045 294 E CA -0.812 55.578 56.400 -0.017 0.000 0.884 294 E CB 1.312 31.008 29.700 -0.008 0.000 1.106 294 E HN 0.842 nan 8.360 nan 0.000 0.408 295 N N 2.469 121.144 118.700 -0.042 0.000 2.395 295 N HA 0.044 4.794 4.740 0.015 0.000 0.246 295 N C -0.354 175.152 175.510 -0.006 0.000 1.246 295 N CA 0.242 53.263 53.050 -0.048 0.000 0.879 295 N CB 0.352 38.793 38.487 -0.077 0.000 1.098 295 N HN 0.547 nan 8.380 nan 0.000 0.444 296 D N 0.250 120.664 120.400 0.023 0.000 2.388 296 D HA 0.296 4.945 4.640 0.015 0.000 0.254 296 D C -0.428 175.867 176.300 -0.009 0.000 1.111 296 D CA -0.248 53.770 54.000 0.031 0.000 0.993 296 D CB 0.598 41.444 40.800 0.077 0.000 1.118 296 D HN 0.510 nan 8.370 nan 0.000 0.502 297 E N 1.586 121.777 120.200 -0.016 0.000 2.289 297 E HA 0.363 4.722 4.350 0.015 0.000 0.278 297 E C 0.487 177.061 176.600 -0.044 0.000 1.032 297 E CA -0.606 55.772 56.400 -0.037 0.000 0.854 297 E CB 0.119 29.799 29.700 -0.033 0.000 1.046 297 E HN 0.524 nan 8.360 nan 0.000 0.409 298 M N 1.789 121.346 119.600 -0.071 0.000 2.219 298 M HA 0.446 4.935 4.480 0.015 0.000 0.353 298 M C -2.182 174.074 176.300 -0.073 0.000 1.304 298 M CA -1.302 53.947 55.300 -0.085 0.000 1.115 298 M CB 0.242 32.761 32.600 -0.136 0.000 1.664 298 M HN 0.127 nan 8.290 nan 0.000 0.459 299 P HA -0.073 nan 4.420 nan 0.000 0.271 299 P C -0.044 177.222 177.300 -0.057 0.000 1.197 299 P CA 0.466 63.539 63.100 -0.044 0.000 0.777 299 P CB 0.457 32.139 31.700 -0.030 0.000 0.827 300 A N 1.129 123.923 122.820 -0.045 0.000 2.308 300 A HA 0.042 4.371 4.320 0.015 0.000 0.217 300 A C 0.861 178.419 177.584 -0.044 0.000 1.216 300 A CA 0.533 52.541 52.037 -0.048 0.000 0.864 300 A CB -0.269 18.707 19.000 -0.039 0.000 0.902 300 A HN 0.397 nan 8.150 nan 0.000 0.499 301 D N 0.461 120.839 120.400 -0.037 0.000 2.755 301 D HA 0.192 4.841 4.640 0.015 0.000 0.257 301 D C -0.362 175.918 176.300 -0.033 0.000 1.291 301 D CA -0.015 53.968 54.000 -0.029 0.000 0.836 301 D CB 0.190 40.980 40.800 -0.016 0.000 1.059 301 D HN 0.176 nan 8.370 nan 0.000 0.486 302 L N 2.258 123.447 121.223 -0.055 0.000 2.433 302 L HA 0.206 4.555 4.340 0.015 0.000 0.284 302 L C -1.437 175.397 176.870 -0.061 0.000 1.120 302 L CA -0.843 53.956 54.840 -0.068 0.000 0.879 302 L CB -0.183 41.806 42.059 -0.118 0.000 1.232 302 L HN -0.185 nan 8.230 nan 0.000 0.454 303 P HA -0.100 nan 4.420 nan 0.000 0.274 303 P C -0.163 177.127 177.300 -0.015 0.000 1.248 303 P CA 0.105 63.200 63.100 -0.009 0.000 0.827 303 P CB 0.498 32.208 31.700 0.018 0.000 0.972 304 S N -0.369 115.341 115.700 0.018 0.000 2.420 304 S HA 0.220 4.699 4.470 0.015 0.000 0.313 304 S C 1.349 176.018 174.600 0.114 0.000 1.079 304 S CA -0.665 57.559 58.200 0.040 0.000 1.104 304 S CB -0.535 62.697 63.200 0.053 0.000 0.969 304 S HN 0.336 nan 8.310 nan 0.000 0.471 305 L N 4.715 126.018 121.223 0.132 0.000 2.030 305 L HA -0.272 4.077 4.340 0.015 0.000 0.222 305 L C 2.907 180.009 176.870 0.387 0.000 1.082 305 L CA 2.013 57.035 54.840 0.304 0.000 0.785 305 L CB -1.079 41.107 42.059 0.212 0.000 0.895 305 L HN 0.798 nan 8.230 nan 0.000 0.439 306 A N -0.295 122.728 122.820 0.338 0.000 2.159 306 A HA -0.253 4.076 4.320 0.015 0.000 0.222 306 A C 2.456 180.053 177.584 0.021 0.000 1.163 306 A CA 2.079 54.097 52.037 -0.031 0.000 0.664 306 A CB -0.700 18.292 19.000 -0.012 0.000 0.803 306 A HN 0.529 nan 8.150 nan 0.000 0.470 307 A N -0.092 122.779 122.820 0.085 0.000 1.840 307 A HA -0.083 4.246 4.320 0.015 0.000 0.214 307 A C 1.741 179.339 177.584 0.023 0.000 1.198 307 A CA 1.741 53.807 52.037 0.049 0.000 0.608 307 A CB -0.530 18.499 19.000 0.048 0.000 0.839 307 A HN 0.486 nan 8.150 nan 0.000 0.443 308 D N -1.734 118.671 120.400 0.007 0.000 2.249 308 D HA 0.072 4.721 4.640 0.015 0.000 0.205 308 D C 0.869 176.939 176.300 -0.383 0.000 0.962 308 D CA 0.825 54.696 54.000 -0.215 0.000 0.860 308 D CB -0.023 40.546 40.800 -0.385 0.000 0.955 308 D HN 0.483 nan 8.370 nan 0.000 0.505 309 F N -0.815 119.200 119.950 0.109 0.000 2.682 309 F HA 0.231 4.767 4.527 0.015 0.000 0.308 309 F C 1.336 177.163 175.800 0.046 0.000 1.093 309 F CA -0.042 58.045 58.000 0.145 0.000 1.244 309 F CB 0.862 39.950 39.000 0.148 0.000 1.052 309 F HN -0.159 nan 8.300 nan 0.000 0.573 310 V N -1.900 118.057 119.914 0.071 0.000 3.294 310 V HA 0.191 4.320 4.120 0.015 0.000 0.255 310 V C 1.416 177.623 176.094 0.188 0.000 1.528 310 V CA 0.976 63.302 62.300 0.043 0.000 1.086 310 V CB -0.050 31.549 31.823 -0.373 0.000 0.906 310 V HN 0.146 nan 8.190 nan 0.000 0.433 311 E N 0.465 120.720 120.200 0.091 0.000 2.275 311 E HA 0.132 4.491 4.350 0.015 0.000 0.239 311 E C 1.255 177.921 176.600 0.110 0.000 0.897 311 E CA 0.792 57.242 56.400 0.083 0.000 1.044 311 E CB -1.002 28.716 29.700 0.030 0.000 1.416 311 E HN 0.582 nan 8.360 nan 0.000 0.513 312 S N 1.027 116.763 115.700 0.060 0.000 3.566 312 S HA 0.251 4.730 4.470 0.015 0.000 0.426 312 S C 0.640 175.287 174.600 0.078 0.000 1.154 312 S CA 0.939 59.166 58.200 0.045 0.000 0.946 312 S CB -1.255 61.952 63.200 0.011 0.000 0.666 312 S HN 1.021 nan 8.310 nan 0.000 0.494 313 K N 3.297 123.738 120.400 0.067 0.000 2.202 313 K HA 0.260 4.589 4.320 0.015 0.000 0.238 313 K C 0.955 177.578 176.600 0.039 0.000 1.070 313 K CA 0.417 56.755 56.287 0.083 0.000 0.859 313 K CB -0.570 31.959 32.500 0.049 0.000 1.140 313 K HN 1.010 nan 8.250 nan 0.000 0.515 314 D N -3.004 117.409 120.400 0.022 0.000 2.946 314 D HA -0.204 4.445 4.640 0.015 0.000 0.202 314 D C 0.987 177.225 176.300 -0.104 0.000 1.068 314 D CA 1.271 55.250 54.000 -0.035 0.000 1.011 314 D CB -2.215 38.562 40.800 -0.039 0.000 1.105 314 D HN 0.692 nan 8.370 nan 0.000 0.425 315 V N 0.246 120.113 119.914 -0.077 0.000 2.392 315 V HA -0.291 3.838 4.120 0.015 0.000 0.249 315 V C 2.280 178.186 176.094 -0.314 0.000 1.059 315 V CA 2.476 64.671 62.300 -0.175 0.000 1.051 315 V CB -0.319 31.436 31.823 -0.113 0.000 0.658 315 V HN 0.601 nan 8.190 nan 0.000 0.455 316 c N 0.186 118.702 118.600 -0.141 0.000 2.464 316 c HA 0.102 4.681 4.570 0.015 0.000 0.278 316 c C 3.077 177.117 174.090 -0.084 0.000 1.375 316 c CA 1.157 57.456 56.329 -0.050 0.000 1.761 316 c CB -1.098 41.434 42.510 0.037 0.000 1.944 316 c HN 0.752 nan 8.230 nan 0.000 0.509 317 K N 0.818 121.147 120.400 -0.117 0.000 2.116 317 K HA -0.054 4.275 4.320 0.015 0.000 0.203 317 K C 1.439 177.931 176.600 -0.180 0.000 1.052 317 K CA 1.741 57.958 56.287 -0.116 0.000 0.952 317 K CB -0.961 31.491 32.500 -0.080 0.000 0.729 317 K HN 0.696 nan 8.250 nan 0.000 0.446 318 N N -1.046 117.476 118.700 -0.296 0.000 2.354 318 N HA 0.009 4.758 4.740 0.015 0.000 0.179 318 N C 1.676 176.875 175.510 -0.518 0.000 1.021 318 N CA 0.817 53.637 53.050 -0.383 0.000 0.887 318 N CB -0.105 38.102 38.487 -0.465 0.000 0.974 318 N HN 0.514 nan 8.380 nan 0.000 0.437 319 Y N 1.784 121.589 120.300 -0.825 0.000 2.092 319 Y HA 0.012 4.572 4.550 0.016 0.000 0.282 319 Y C 2.243 178.008 175.900 -0.226 0.000 1.126 319 Y CA 1.373 59.117 58.100 -0.593 0.000 1.111 319 Y CB -0.918 37.273 38.460 -0.449 0.000 0.987 319 Y HN 0.021 nan 8.280 nan 0.000 0.489 320 A N 0.336 122.927 122.820 -0.380 0.000 2.024 320 A HA -0.257 4.072 4.320 0.015 0.000 0.220 320 A C 2.208 179.647 177.584 -0.241 0.000 1.164 320 A CA 1.923 53.722 52.037 -0.395 0.000 0.643 320 A CB -1.028 17.831 19.000 -0.235 0.000 0.806 320 A HN 0.721 nan 8.150 nan 0.000 0.451 321 E N -0.307 119.790 120.200 -0.172 0.000 2.110 321 E HA 0.046 4.405 4.350 0.015 0.000 0.193 321 E C 0.536 177.095 176.600 -0.068 0.000 0.988 321 E CA 1.316 57.655 56.400 -0.102 0.000 0.804 321 E CB -0.142 29.509 29.700 -0.082 0.000 0.745 321 E HN 0.547 nan 8.360 nan 0.000 0.458 322 A N 0.068 122.855 122.820 -0.055 0.000 3.044 322 A HA 0.229 4.558 4.320 0.015 0.000 0.289 322 A C 0.192 177.829 177.584 0.088 0.000 1.236 322 A CA -0.581 51.467 52.037 0.020 0.000 0.871 322 A CB 0.453 19.497 19.000 0.072 0.000 1.424 322 A HN 0.113 nan 8.150 nan 0.000 0.564 323 K N 0.262 120.656 120.400 -0.010 0.000 2.052 323 K HA -0.234 4.096 4.320 0.015 0.000 0.215 323 K C 0.762 177.572 176.600 0.350 0.000 1.053 323 K CA 2.209 58.558 56.287 0.103 0.000 0.934 323 K CB 0.005 32.429 32.500 -0.128 0.000 0.717 323 K HN 0.594 nan 8.250 nan 0.000 0.450 324 D N 0.271 120.813 120.400 0.237 0.000 2.144 324 D HA -0.089 4.560 4.640 0.015 0.000 0.200 324 D C 1.967 178.449 176.300 0.303 0.000 0.978 324 D CA 0.744 54.898 54.000 0.257 0.000 0.833 324 D CB -0.123 40.792 40.800 0.191 0.000 0.961 324 D HN -0.046 nan 8.370 nan 0.000 0.470 325 V N 0.689 120.778 119.914 0.293 0.000 2.407 325 V HA -0.209 3.920 4.120 0.015 0.000 0.248 325 V C 2.088 178.349 176.094 0.278 0.000 1.055 325 V CA 1.117 63.610 62.300 0.322 0.000 1.049 325 V CB -0.551 31.434 31.823 0.271 0.000 0.662 325 V HN 0.095 nan 8.190 nan 0.000 0.455 326 F N 0.410 120.471 119.950 0.185 0.000 2.128 326 F HA -0.069 4.466 4.527 0.014 0.000 0.295 326 F C 2.044 178.049 175.800 0.342 0.000 1.100 326 F CA 1.461 59.601 58.000 0.234 0.000 1.260 326 F CB -0.301 38.877 39.000 0.298 0.000 1.009 326 F HN -0.006 nan 8.300 nan 0.000 0.476 327 L N -0.206 121.250 121.223 0.388 0.000 2.017 327 L HA -0.155 4.194 4.340 0.015 0.000 0.208 327 L C 2.790 179.820 176.870 0.268 0.000 1.073 327 L CA 1.488 56.502 54.840 0.290 0.000 0.745 327 L CB -1.570 40.663 42.059 0.291 0.000 0.894 327 L HN 0.318 nan 8.230 nan 0.000 0.432 328 G N -0.714 108.260 108.800 0.291 0.000 2.475 328 G HA2 -0.322 3.647 3.960 0.015 0.000 0.220 328 G HA3 -0.322 3.647 3.960 0.015 0.000 0.220 328 G C 1.628 176.740 174.900 0.353 0.000 1.125 328 G CA 0.886 46.211 45.100 0.375 0.000 0.755 328 G HN 0.228 nan 8.290 nan 0.000 0.565 329 M N -1.018 118.562 119.600 -0.034 0.000 2.156 329 M HA 0.154 4.643 4.480 0.015 0.000 0.264 329 M C 2.161 178.446 176.300 -0.026 0.000 1.067 329 M CA 0.910 56.035 55.300 -0.292 0.000 1.131 329 M CB -0.123 32.283 32.600 -0.324 0.000 1.368 329 M HN 0.281 nan 8.290 nan 0.000 0.416 330 F N 0.545 120.320 119.950 -0.291 0.000 2.134 330 F HA -0.234 4.302 4.527 0.015 0.000 0.299 330 F C 1.771 177.386 175.800 -0.309 0.000 1.097 330 F CA 1.546 59.115 58.000 -0.719 0.000 1.264 330 F CB -0.183 38.483 39.000 -0.556 0.000 1.001 330 F HN 0.001 nan 8.300 nan 0.000 0.479 331 L N -0.653 120.586 121.223 0.027 0.000 1.961 331 L HA -0.277 4.072 4.340 0.015 0.000 0.210 331 L C 2.544 179.401 176.870 -0.021 0.000 1.072 331 L CA 2.282 57.121 54.840 -0.002 0.000 0.749 331 L CB -1.250 40.880 42.059 0.118 0.000 0.889 331 L HN 0.329 nan 8.230 nan 0.000 0.432 332 Y N 1.118 121.431 120.300 0.023 0.000 2.096 332 Y HA -0.379 4.180 4.550 0.015 0.000 0.278 332 Y C 2.475 178.345 175.900 -0.050 0.000 1.192 332 Y CA 2.321 60.460 58.100 0.065 0.000 1.143 332 Y CB -0.251 38.420 38.460 0.352 0.000 0.963 332 Y HN 0.203 nan 8.280 nan 0.000 0.505 333 E N -0.576 119.514 120.200 -0.184 0.000 2.031 333 E HA -0.218 4.141 4.350 0.015 0.000 0.193 333 E C 2.045 178.378 176.600 -0.445 0.000 0.994 333 E CA 1.747 57.916 56.400 -0.385 0.000 0.800 333 E CB -0.844 28.667 29.700 -0.314 0.000 0.752 333 E HN 0.643 nan 8.360 nan 0.000 0.447 334 Y N 0.212 120.140 120.300 -0.620 0.000 2.293 334 Y HA -0.088 4.472 4.550 0.016 0.000 0.291 334 Y C 1.979 177.680 175.900 -0.333 0.000 1.137 334 Y CA 1.164 58.943 58.100 -0.535 0.000 1.202 334 Y CB -0.611 37.377 38.460 -0.787 0.000 0.990 334 Y HN 0.121 nan 8.280 nan 0.000 0.537 335 A N 1.030 123.775 122.820 -0.126 0.000 1.845 335 A HA -0.219 4.110 4.320 0.015 0.000 0.215 335 A C 2.311 179.773 177.584 -0.204 0.000 1.195 335 A CA 2.016 53.967 52.037 -0.144 0.000 0.616 335 A CB -0.786 18.113 19.000 -0.167 0.000 0.832 335 A HN 0.546 nan 8.150 nan 0.000 0.443 336 R N -0.728 119.592 120.500 -0.300 0.000 2.249 336 R HA -0.052 4.298 4.340 0.015 0.000 0.230 336 R C 1.803 177.919 176.300 -0.307 0.000 1.121 336 R CA 1.616 57.531 56.100 -0.307 0.000 0.997 336 R CB -0.335 29.725 30.300 -0.401 0.000 0.867 336 R HN 0.415 nan 8.270 nan 0.000 0.465 337 R N -0.167 120.122 120.500 -0.352 0.000 2.297 337 R HA 0.111 4.460 4.340 0.015 0.000 0.197 337 R C -0.088 175.782 176.300 -0.717 0.000 0.943 337 R CA 0.328 56.138 56.100 -0.483 0.000 1.038 337 R CB 0.396 30.377 30.300 -0.532 0.000 0.957 337 R HN 0.315 nan 8.270 nan 0.000 0.484 338 H N -0.711 118.151 119.070 -0.346 0.000 2.488 338 H HA 0.176 4.743 4.556 0.018 0.000 0.237 338 H C -2.195 172.925 175.328 -0.348 0.000 1.395 338 H CA -1.830 53.936 56.048 -0.471 0.000 1.491 338 H CB 1.736 31.014 29.762 -0.807 0.000 1.567 338 H HN 0.006 nan 8.280 nan 0.000 0.508 339 P HA -0.046 nan 4.420 nan 0.000 0.241 339 P C 0.971 178.216 177.300 -0.093 0.000 1.191 339 P CA 0.618 63.634 63.100 -0.140 0.000 0.771 339 P CB 0.331 31.946 31.700 -0.141 0.000 0.929 340 D N -2.378 117.973 120.400 -0.082 0.000 2.319 340 D HA -0.054 4.595 4.640 0.015 0.000 0.230 340 D C -0.023 176.393 176.300 0.193 0.000 1.094 340 D CA -0.012 53.993 54.000 0.008 0.000 0.856 340 D CB -0.375 40.432 40.800 0.010 0.000 0.915 340 D HN 0.091 nan 8.370 nan 0.000 0.517 341 Y N 1.349 121.606 120.300 -0.071 0.000 2.528 341 Y HA 0.358 4.920 4.550 0.019 0.000 0.335 341 Y C 0.819 176.635 175.900 -0.140 0.000 1.093 341 Y CA -2.544 55.484 58.100 -0.121 0.000 1.134 341 Y CB 1.696 40.057 38.460 -0.165 0.000 1.253 341 Y HN -0.151 nan 8.280 nan 0.000 0.478 342 S N -0.197 115.494 115.700 -0.015 0.000 2.584 342 S HA 0.284 4.763 4.470 0.015 0.000 0.273 342 S C 0.994 175.538 174.600 -0.093 0.000 1.311 342 S CA -0.755 57.405 58.200 -0.066 0.000 1.034 342 S CB 1.329 64.482 63.200 -0.078 0.000 0.939 342 S HN 0.411 nan 8.310 nan 0.000 0.513 343 V N 2.294 122.135 119.914 -0.121 0.000 2.324 343 V HA -0.227 3.902 4.120 0.015 0.000 0.250 343 V C 2.596 178.618 176.094 -0.121 0.000 1.060 343 V CA 2.190 64.360 62.300 -0.217 0.000 1.042 343 V CB -1.306 30.247 31.823 -0.450 0.000 0.650 343 V HN 0.910 nan 8.190 nan 0.000 0.450 344 V N -1.124 118.777 119.914 -0.021 0.000 2.332 344 V HA -0.248 3.881 4.120 0.015 0.000 0.248 344 V C 2.383 178.404 176.094 -0.121 0.000 1.055 344 V CA 2.192 64.475 62.300 -0.029 0.000 1.038 344 V CB -1.073 30.740 31.823 -0.017 0.000 0.651 344 V HN 0.474 nan 8.190 nan 0.000 0.450 345 L N -0.116 121.002 121.223 -0.175 0.000 2.083 345 L HA -0.064 4.285 4.340 0.015 0.000 0.209 345 L C 2.292 178.962 176.870 -0.333 0.000 1.083 345 L CA 1.807 56.474 54.840 -0.287 0.000 0.752 345 L CB -0.639 41.169 42.059 -0.418 0.000 0.899 345 L HN 0.289 nan 8.230 nan 0.000 0.433 346 L N -1.344 119.720 121.223 -0.265 0.000 2.027 346 L HA -0.222 4.127 4.340 0.015 0.000 0.206 346 L C 2.514 179.236 176.870 -0.247 0.000 1.074 346 L CA 1.340 56.004 54.840 -0.292 0.000 0.745 346 L CB -0.536 41.398 42.059 -0.208 0.000 0.898 346 L HN 0.288 nan 8.230 nan 0.000 0.433 347 L N -0.716 120.410 121.223 -0.161 0.000 2.079 347 L HA -0.233 4.116 4.340 0.015 0.000 0.210 347 L C 2.727 179.527 176.870 -0.115 0.000 1.081 347 L CA 1.170 55.953 54.840 -0.094 0.000 0.752 347 L CB -0.541 41.493 42.059 -0.041 0.000 0.896 347 L HN 0.221 nan 8.230 nan 0.000 0.433 348 R N 0.017 120.419 120.500 -0.163 0.000 2.152 348 R HA -0.099 4.250 4.340 0.015 0.000 0.232 348 R C 2.204 178.371 176.300 -0.221 0.000 1.117 348 R CA 1.047 57.047 56.100 -0.167 0.000 0.981 348 R CB -0.040 30.149 30.300 -0.185 0.000 0.870 348 R HN 0.366 nan 8.270 nan 0.000 0.451 349 L N -1.095 119.915 121.223 -0.355 0.000 2.202 349 L HA 0.052 4.402 4.340 0.015 0.000 0.205 349 L C 2.496 179.179 176.870 -0.312 0.000 1.083 349 L CA 0.708 55.196 54.840 -0.586 0.000 0.790 349 L CB -0.364 41.050 42.059 -1.075 0.000 0.942 349 L HN 0.188 nan 8.230 nan 0.000 0.452 350 A N 0.097 122.853 122.820 -0.107 0.000 1.902 350 A HA -0.215 4.115 4.320 0.015 0.000 0.217 350 A C 2.506 180.102 177.584 0.019 0.000 1.181 350 A CA 1.944 54.015 52.037 0.056 0.000 0.623 350 A CB -0.476 18.605 19.000 0.135 0.000 0.818 350 A HN 0.169 nan 8.150 nan 0.000 0.443 351 K N -0.819 119.576 120.400 -0.008 0.000 2.057 351 K HA -0.115 4.215 4.320 0.015 0.000 0.207 351 K C 2.316 178.927 176.600 0.018 0.000 1.049 351 K CA 2.163 58.454 56.287 0.006 0.000 0.931 351 K CB -1.187 31.308 32.500 -0.008 0.000 0.714 351 K HN 0.749 nan 8.250 nan 0.000 0.440 352 T N -0.208 114.361 114.554 0.025 0.000 2.746 352 T HA -0.115 4.244 4.350 0.015 0.000 0.267 352 T C 1.489 176.297 174.700 0.179 0.000 1.039 352 T CA 1.678 63.841 62.100 0.104 0.000 1.142 352 T CB -0.499 68.460 68.868 0.152 0.000 0.866 352 T HN 0.481 nan 8.240 nan 0.000 0.444 353 Y N 2.245 122.553 120.300 0.013 0.000 2.114 353 Y HA -0.149 4.408 4.550 0.011 0.000 0.284 353 Y C 2.558 178.356 175.900 -0.169 0.000 1.143 353 Y CA 1.716 59.758 58.100 -0.097 0.000 1.135 353 Y CB -0.692 37.444 38.460 -0.540 0.000 0.980 353 Y HN 0.367 nan 8.280 nan 0.000 0.499 354 E N -0.894 119.182 120.200 -0.207 0.000 2.065 354 E HA -0.270 4.089 4.350 0.015 0.000 0.201 354 E C 2.061 178.575 176.600 -0.144 0.000 1.016 354 E CA 2.426 58.687 56.400 -0.231 0.000 0.818 354 E CB -0.588 29.093 29.700 -0.032 0.000 0.749 354 E HN 0.442 nan 8.360 nan 0.000 0.453 355 T N 0.029 114.555 114.554 -0.046 0.000 2.699 355 T HA -0.182 4.177 4.350 0.015 0.000 0.268 355 T C 1.836 176.522 174.700 -0.022 0.000 1.036 355 T CA 2.034 64.130 62.100 -0.006 0.000 1.147 355 T CB -0.517 68.364 68.868 0.023 0.000 0.862 355 T HN 0.339 nan 8.240 nan 0.000 0.446 356 T N 2.080 116.605 114.554 -0.048 0.000 2.701 356 T HA 0.087 4.446 4.350 0.015 0.000 0.263 356 T C 1.989 176.633 174.700 -0.095 0.000 1.040 356 T CA 0.736 62.816 62.100 -0.033 0.000 1.147 356 T CB -0.460 68.417 68.868 0.016 0.000 0.865 356 T HN 0.232 nan 8.240 nan 0.000 0.426 357 L N 0.998 122.035 121.223 -0.310 0.000 2.089 357 L HA -0.175 4.175 4.340 0.015 0.000 0.213 357 L C 2.883 179.721 176.870 -0.054 0.000 1.079 357 L CA 1.418 56.032 54.840 -0.377 0.000 0.758 357 L CB -0.515 40.957 42.059 -0.977 0.000 0.891 357 L HN 0.321 nan 8.230 nan 0.000 0.433 358 E N 0.252 120.462 120.200 0.017 0.000 2.072 358 E HA -0.175 4.184 4.350 0.015 0.000 0.191 358 E C 2.029 178.670 176.600 0.068 0.000 0.985 358 E CA 1.570 58.038 56.400 0.112 0.000 0.801 358 E CB -0.082 29.679 29.700 0.101 0.000 0.750 358 E HN 0.449 nan 8.360 nan 0.000 0.452 359 K N 0.249 120.675 120.400 0.043 0.000 2.627 359 K HA 0.176 4.505 4.320 0.015 0.000 0.212 359 K C 1.358 177.989 176.600 0.052 0.000 1.041 359 K CA 0.301 56.613 56.287 0.042 0.000 1.205 359 K CB -0.970 31.551 32.500 0.035 0.000 0.936 359 K HN 0.120 nan 8.250 nan 0.000 0.489 360 c N -2.937 115.706 118.600 0.071 0.000 3.558 360 c HA 0.074 4.654 4.570 0.015 0.000 0.564 360 c C 2.363 176.526 174.090 0.121 0.000 1.255 360 c CA 0.210 56.602 56.329 0.105 0.000 2.589 360 c CB -0.024 42.597 42.510 0.186 0.000 3.649 360 c HN 0.743 nan 8.230 nan 0.000 0.478 361 c N 2.055 120.729 118.600 0.123 0.000 2.430 361 c HA 0.147 4.726 4.570 0.015 0.000 0.288 361 c C 1.930 176.063 174.090 0.071 0.000 1.448 361 c CA 1.245 57.643 56.329 0.114 0.000 1.784 361 c CB -1.685 40.898 42.510 0.123 0.000 1.776 361 c HN 0.681 nan 8.230 nan 0.000 0.547 362 A N -0.038 122.817 122.820 0.059 0.000 3.181 362 A HA 0.713 5.042 4.320 0.015 0.000 0.293 362 A C 0.296 177.898 177.584 0.030 0.000 1.346 362 A CA 0.436 52.495 52.037 0.036 0.000 1.018 362 A CB -0.416 18.603 19.000 0.031 0.000 1.093 362 A HN 0.510 nan 8.150 nan 0.000 0.629 363 A N -0.903 121.935 122.820 0.030 0.000 2.549 363 A HA 0.724 5.053 4.320 0.015 0.000 0.297 363 A C 0.979 178.570 177.584 0.011 0.000 1.061 363 A CA 0.035 52.083 52.037 0.018 0.000 0.690 363 A CB 0.360 19.370 19.000 0.017 0.000 1.287 363 A HN 1.363 nan 8.150 nan 0.000 0.402 364 A N 0.885 123.707 122.820 0.002 0.000 1.873 364 A HA -0.133 4.196 4.320 0.015 0.000 0.219 364 A C 0.831 178.410 177.584 -0.008 0.000 1.269 364 A CA 2.448 54.483 52.037 -0.003 0.000 0.671 364 A CB -0.522 18.473 19.000 -0.007 0.000 0.842 364 A HN 0.768 nan 8.150 nan 0.000 0.460 365 D N -1.275 119.113 120.400 -0.020 0.000 2.443 365 D HA 0.431 5.080 4.640 0.015 0.000 0.221 365 D C -1.824 174.440 176.300 -0.060 0.000 1.097 365 D CA -1.992 51.984 54.000 -0.041 0.000 0.865 365 D CB 1.302 42.071 40.800 -0.052 0.000 1.034 365 D HN 0.092 nan 8.370 nan 0.000 0.511 366 P HA -0.011 nan 4.420 nan 0.000 0.216 366 P C 1.492 178.561 177.300 -0.386 0.000 1.154 366 P CA 1.159 64.237 63.100 -0.037 0.000 0.857 366 P CB -0.019 31.765 31.700 0.140 0.000 0.787 367 H N -0.520 118.316 119.070 -0.390 0.000 2.492 367 H HA -0.038 4.527 4.556 0.015 0.000 0.296 367 H C 1.799 176.723 175.328 -0.672 0.000 1.095 367 H CA 2.176 57.796 56.048 -0.713 0.000 1.281 367 H CB -1.435 28.192 29.762 -0.226 0.000 1.374 367 H HN 0.390 nan 8.280 nan 0.000 0.545 368 E N -1.116 118.842 120.200 -0.403 0.000 2.460 368 E HA 0.195 4.554 4.350 0.015 0.000 0.200 368 E C 2.210 178.670 176.600 -0.234 0.000 1.011 368 E CA 0.642 56.884 56.400 -0.264 0.000 0.912 368 E CB -1.019 28.591 29.700 -0.149 0.000 0.953 368 E HN 0.846 nan 8.360 nan 0.000 0.494 369 c N 0.250 118.688 118.600 -0.270 0.000 2.631 369 c HA 0.054 4.633 4.570 0.015 0.000 0.283 369 c C 2.349 176.388 174.090 -0.086 0.000 1.295 369 c CA 1.339 57.592 56.329 -0.127 0.000 1.697 369 c CB -1.028 41.455 42.510 -0.045 0.000 2.128 369 c HN 0.826 nan 8.230 nan 0.000 0.503 370 Y N 1.637 121.925 120.300 -0.019 0.000 2.488 370 Y HA 0.513 5.070 4.550 0.012 0.000 0.319 370 Y C 1.717 177.599 175.900 -0.031 0.000 1.212 370 Y CA 0.098 58.186 58.100 -0.021 0.000 1.273 370 Y CB -1.513 36.932 38.460 -0.025 0.000 1.074 370 Y HN 0.302 nan 8.280 nan 0.000 0.503 371 A N 1.805 124.512 122.820 -0.188 0.000 1.842 371 A HA -0.191 4.138 4.320 0.015 0.000 0.217 371 A C 2.138 179.693 177.584 -0.048 0.000 1.206 371 A CA 2.535 54.479 52.037 -0.155 0.000 0.630 371 A CB -1.253 17.651 19.000 -0.160 0.000 0.839 371 A HN 0.526 nan 8.150 nan 0.000 0.447 372 K N -0.050 120.334 120.400 -0.026 0.000 2.745 372 K HA 0.561 4.890 4.320 0.015 0.000 0.223 372 K C 1.224 177.827 176.600 0.005 0.000 1.057 372 K CA 0.584 56.867 56.287 -0.006 0.000 1.217 372 K CB -1.085 31.417 32.500 0.003 0.000 0.993 372 K HN 0.287 nan 8.250 nan 0.000 0.478 373 V N 0.088 120.004 119.914 0.003 0.000 2.287 373 V HA -0.180 3.949 4.120 0.015 0.000 0.248 373 V C 1.925 177.922 176.094 -0.161 0.000 1.053 373 V CA 1.726 64.015 62.300 -0.020 0.000 1.027 373 V CB -0.667 31.192 31.823 0.061 0.000 0.646 373 V HN 0.738 nan 8.190 nan 0.000 0.447 374 F N 0.521 120.222 119.950 -0.415 0.000 2.373 374 F HA -0.141 4.393 4.527 0.011 0.000 0.300 374 F C 2.191 177.829 175.800 -0.271 0.000 1.080 374 F CA 1.061 58.699 58.000 -0.603 0.000 1.417 374 F CB -1.037 37.825 39.000 -0.231 0.000 1.070 374 F HN 0.327 nan 8.300 nan 0.000 0.546 375 D N 0.218 120.649 120.400 0.051 0.000 2.178 375 D HA -0.115 4.534 4.640 0.015 0.000 0.202 375 D C 2.394 178.750 176.300 0.094 0.000 0.974 375 D CA 1.526 55.571 54.000 0.075 0.000 0.841 375 D CB -0.276 40.558 40.800 0.057 0.000 0.953 375 D HN 0.455 nan 8.370 nan 0.000 0.478 376 E N 0.162 120.419 120.200 0.096 0.000 2.358 376 E HA -0.088 4.271 4.350 0.015 0.000 0.195 376 E C 1.721 178.510 176.600 0.315 0.000 1.010 376 E CA 0.272 56.774 56.400 0.171 0.000 0.856 376 E CB -0.821 28.985 29.700 0.176 0.000 0.795 376 E HN 0.144 nan 8.360 nan 0.000 0.504 377 F N 1.192 121.194 119.950 0.087 0.000 2.113 377 F HA 0.036 4.567 4.527 0.006 0.000 0.297 377 F C 2.276 178.062 175.800 -0.023 0.000 1.103 377 F CA 1.075 59.084 58.000 0.015 0.000 1.248 377 F CB -0.760 38.248 39.000 0.013 0.000 0.999 377 F HN 0.207 nan 8.300 nan 0.000 0.475 378 K N 0.471 121.002 120.400 0.219 0.000 2.044 378 K HA -0.256 4.073 4.320 0.015 0.000 0.224 378 K C -0.560 176.071 176.600 0.051 0.000 1.056 378 K CA 2.686 59.039 56.287 0.110 0.000 0.962 378 K CB -1.469 31.089 32.500 0.097 0.000 0.730 378 K HN 0.097 nan 8.250 nan 0.000 0.453 379 P HA -0.163 nan 4.420 nan 0.000 0.216 379 P C 1.287 178.577 177.300 -0.017 0.000 1.153 379 P CA 1.120 64.232 63.100 0.020 0.000 0.858 379 P CB -0.002 31.717 31.700 0.032 0.000 0.789 380 L N -1.378 119.829 121.223 -0.027 0.000 2.187 380 L HA -0.130 4.219 4.340 0.015 0.000 0.213 380 L C 2.279 179.043 176.870 -0.177 0.000 1.100 380 L CA 1.646 56.427 54.840 -0.098 0.000 0.765 380 L CB -1.327 40.657 42.059 -0.125 0.000 0.904 380 L HN -0.112 nan 8.230 nan 0.000 0.437 381 V N -1.570 118.237 119.914 -0.179 0.000 2.599 381 V HA -0.104 4.026 4.120 0.015 0.000 0.245 381 V C 2.241 178.236 176.094 -0.165 0.000 1.046 381 V CA 0.861 62.997 62.300 -0.273 0.000 1.065 381 V CB -0.473 31.205 31.823 -0.241 0.000 0.703 381 V HN 0.410 nan 8.190 nan 0.000 0.464 382 E N 1.076 121.228 120.200 -0.080 0.000 2.051 382 E HA -0.303 4.057 4.350 0.015 0.000 0.192 382 E C 2.144 178.718 176.600 -0.043 0.000 0.991 382 E CA 1.699 58.074 56.400 -0.041 0.000 0.799 382 E CB -0.167 29.526 29.700 -0.011 0.000 0.748 382 E HN 0.825 nan 8.360 nan 0.000 0.449 383 E N 1.748 121.919 120.200 -0.049 0.000 2.049 383 E HA -0.184 4.175 4.350 0.015 0.000 0.198 383 E C -0.785 175.790 176.600 -0.041 0.000 1.007 383 E CA 1.937 58.315 56.400 -0.037 0.000 0.809 383 E CB -1.278 28.399 29.700 -0.037 0.000 0.749 383 E HN 0.177 nan 8.360 nan 0.000 0.450 384 P HA -0.076 nan 4.420 nan 0.000 0.222 384 P C 1.107 178.379 177.300 -0.048 0.000 1.153 384 P CA 1.336 64.396 63.100 -0.067 0.000 0.798 384 P CB 0.010 31.640 31.700 -0.117 0.000 0.796 385 Q N -0.450 119.318 119.800 -0.053 0.000 2.046 385 Q HA -0.125 4.224 4.340 0.015 0.000 0.200 385 Q C 1.915 177.913 176.000 -0.003 0.000 0.975 385 Q CA 1.252 57.040 55.803 -0.024 0.000 0.836 385 Q CB -0.553 28.174 28.738 -0.017 0.000 0.896 385 Q HN 0.241 nan 8.270 nan 0.000 0.428 386 N N 0.812 119.511 118.700 -0.001 0.000 2.104 386 N HA -0.130 4.619 4.740 0.015 0.000 0.190 386 N C 1.783 177.306 175.510 0.022 0.000 1.024 386 N CA 0.980 54.037 53.050 0.012 0.000 0.853 386 N CB -0.346 38.148 38.487 0.012 0.000 1.008 386 N HN 0.167 nan 8.380 nan 0.000 0.424 387 L N 0.414 121.649 121.223 0.021 0.000 2.042 387 L HA -0.149 4.200 4.340 0.015 0.000 0.210 387 L C 1.975 178.873 176.870 0.046 0.000 1.076 387 L CA 0.975 55.839 54.840 0.039 0.000 0.749 387 L CB -0.428 41.653 42.059 0.036 0.000 0.893 387 L HN 0.194 nan 8.230 nan 0.000 0.432 388 I N 0.426 121.011 120.570 0.026 0.000 2.252 388 I HA -0.259 3.920 4.170 0.015 0.000 0.245 388 I C 3.042 179.174 176.117 0.025 0.000 1.102 388 I CA 1.629 62.942 61.300 0.022 0.000 1.385 388 I CB -1.198 36.803 38.000 0.003 0.000 1.064 388 I HN 0.219 nan 8.210 nan 0.000 0.414 389 K N 1.287 121.702 120.400 0.025 0.000 1.963 389 K HA -0.220 4.110 4.320 0.015 0.000 0.216 389 K C 1.950 178.572 176.600 0.037 0.000 1.045 389 K CA 1.914 58.217 56.287 0.027 0.000 0.954 389 K CB -1.557 30.958 32.500 0.024 0.000 0.732 389 K HN 0.539 nan 8.250 nan 0.000 0.442 390 Q N 0.581 120.407 119.800 0.044 0.000 2.268 390 Q HA -0.143 4.207 4.340 0.015 0.000 0.210 390 Q C 2.024 178.074 176.000 0.084 0.000 0.988 390 Q CA 1.513 57.350 55.803 0.056 0.000 0.883 390 Q CB -0.149 28.622 28.738 0.056 0.000 0.911 390 Q HN 0.533 nan 8.270 nan 0.000 0.430 391 N N -0.335 118.424 118.700 0.098 0.000 2.376 391 N HA -0.018 4.731 4.740 0.015 0.000 0.177 391 N C 1.148 176.684 175.510 0.042 0.000 1.024 391 N CA 0.720 53.865 53.050 0.159 0.000 0.893 391 N CB 0.111 38.717 38.487 0.197 0.000 0.980 391 N HN 0.293 nan 8.380 nan 0.000 0.439 392 c N 0.319 118.926 118.600 0.012 0.000 2.512 392 c HA 0.146 4.725 4.570 0.015 0.000 0.276 392 c C 2.499 176.613 174.090 0.040 0.000 1.368 392 c CA -0.155 56.167 56.329 -0.013 0.000 1.755 392 c CB -0.327 42.175 42.510 -0.013 0.000 2.008 392 c HN 0.459 nan 8.230 nan 0.000 0.511 393 E N 0.523 120.743 120.200 0.033 0.000 2.072 393 E HA -0.194 4.165 4.350 0.015 0.000 0.191 393 E C 1.970 178.581 176.600 0.019 0.000 0.985 393 E CA 0.924 57.343 56.400 0.031 0.000 0.801 393 E CB -0.092 29.628 29.700 0.033 0.000 0.750 393 E HN 0.468 nan 8.360 nan 0.000 0.452 394 L N 0.162 121.405 121.223 0.034 0.000 2.109 394 L HA -0.099 4.250 4.340 0.015 0.000 0.207 394 L C 2.023 178.851 176.870 -0.070 0.000 1.086 394 L CA 1.278 56.151 54.840 0.054 0.000 0.760 394 L CB -0.354 41.825 42.059 0.199 0.000 0.910 394 L HN 0.148 nan 8.230 nan 0.000 0.437 395 F N 0.515 120.164 119.950 -0.502 0.000 2.494 395 F HA -0.065 4.471 4.527 0.015 0.000 0.298 395 F C 2.035 177.644 175.800 -0.319 0.000 1.106 395 F CA 1.491 59.001 58.000 -0.817 0.000 1.452 395 F CB -0.370 37.983 39.000 -1.078 0.000 1.085 395 F HN 0.224 nan 8.300 nan 0.000 0.569 396 E N 0.734 120.806 120.200 -0.214 0.000 2.057 396 E HA -0.131 4.228 4.350 0.015 0.000 0.190 396 E C 1.826 178.318 176.600 -0.180 0.000 0.969 396 E CA 0.905 57.189 56.400 -0.194 0.000 0.812 396 E CB -0.979 28.701 29.700 -0.033 0.000 0.777 396 E HN 0.736 nan 8.360 nan 0.000 0.455 397 Q N -0.046 119.694 119.800 -0.100 0.000 2.500 397 Q HA 0.205 4.554 4.340 0.015 0.000 0.213 397 Q C 1.977 177.938 176.000 -0.064 0.000 0.974 397 Q CA 1.031 56.797 55.803 -0.061 0.000 0.918 397 Q CB 0.002 28.728 28.738 -0.020 0.000 0.980 397 Q HN 0.484 nan 8.270 nan 0.000 0.505 398 L N -1.162 119.996 121.223 -0.108 0.000 2.519 398 L HA 0.403 4.752 4.340 0.015 0.000 0.194 398 L C 0.866 177.665 176.870 -0.119 0.000 1.072 398 L CA 0.338 55.145 54.840 -0.055 0.000 0.845 398 L CB 0.264 42.362 42.059 0.065 0.000 1.138 398 L HN 0.325 nan 8.230 nan 0.000 0.487 399 G N 0.353 108.950 108.800 -0.339 0.000 2.570 399 G HA2 -0.180 3.789 3.960 0.015 0.000 0.686 399 G HA3 -0.180 3.789 3.960 0.015 0.000 0.686 399 G C 0.039 174.816 174.900 -0.204 0.000 1.257 399 G CA 0.024 44.893 45.100 -0.386 0.000 0.846 399 G HN 0.200 nan 8.290 nan 0.000 0.627 400 E N -0.534 119.625 120.200 -0.068 0.000 2.026 400 E HA -0.264 4.095 4.350 0.015 0.000 0.206 400 E C 2.016 178.800 176.600 0.308 0.000 1.028 400 E CA 2.258 58.831 56.400 0.288 0.000 0.845 400 E CB -0.211 29.671 29.700 0.303 0.000 0.772 400 E HN 0.709 nan 8.360 nan 0.000 0.462 401 Y N 1.189 121.560 120.300 0.117 0.000 2.053 401 Y HA -0.284 4.276 4.550 0.016 0.000 0.277 401 Y C 2.372 178.323 175.900 0.086 0.000 1.159 401 Y CA 2.445 60.598 58.100 0.090 0.000 1.125 401 Y CB -0.205 38.287 38.460 0.054 0.000 0.969 401 Y HN -0.046 nan 8.280 nan 0.000 0.492 402 K N -0.826 119.687 120.400 0.189 0.000 2.280 402 K HA -0.191 4.138 4.320 0.015 0.000 0.202 402 K C 1.967 178.589 176.600 0.036 0.000 1.047 402 K CA 1.213 57.532 56.287 0.053 0.000 0.942 402 K CB -0.431 32.157 32.500 0.146 0.000 0.739 402 K HN 0.409 nan 8.250 nan 0.000 0.457 403 F N 1.821 121.741 119.950 -0.049 0.000 2.128 403 F HA -0.118 4.417 4.527 0.014 0.000 0.295 403 F C 1.981 177.761 175.800 -0.034 0.000 1.100 403 F CA 1.382 59.377 58.000 -0.009 0.000 1.260 403 F CB -0.319 38.736 39.000 0.093 0.000 1.009 403 F HN 0.003 nan 8.300 nan 0.000 0.476 404 Q N 0.137 119.849 119.800 -0.147 0.000 2.197 404 Q HA -0.238 4.111 4.340 0.015 0.000 0.207 404 Q C 1.786 177.601 176.000 -0.308 0.000 0.984 404 Q CA 1.695 57.339 55.803 -0.265 0.000 0.869 404 Q CB -0.328 28.328 28.738 -0.137 0.000 0.906 404 Q HN 0.425 nan 8.270 nan 0.000 0.426 405 N N 0.284 118.792 118.700 -0.319 0.000 2.171 405 N HA -0.090 4.659 4.740 0.015 0.000 0.184 405 N C 1.556 176.929 175.510 -0.228 0.000 1.021 405 N CA 1.274 54.157 53.050 -0.277 0.000 0.854 405 N CB -0.415 37.901 38.487 -0.285 0.000 0.994 405 N HN 0.242 nan 8.380 nan 0.000 0.426 406 A N 1.198 123.881 122.820 -0.229 0.000 1.940 406 A HA -0.077 4.253 4.320 0.015 0.000 0.219 406 A C 2.300 179.686 177.584 -0.329 0.000 1.176 406 A CA 0.976 52.885 52.037 -0.214 0.000 0.631 406 A CB -0.698 18.218 19.000 -0.140 0.000 0.814 406 A HN 0.205 nan 8.150 nan 0.000 0.446 407 L N -1.432 119.518 121.223 -0.455 0.000 1.988 407 L HA -0.154 4.195 4.340 0.015 0.000 0.207 407 L C 2.490 179.113 176.870 -0.412 0.000 1.071 407 L CA 0.882 55.389 54.840 -0.554 0.000 0.744 407 L CB -0.704 41.093 42.059 -0.437 0.000 0.893 407 L HN 0.323 nan 8.230 nan 0.000 0.433 408 L N -0.112 120.972 121.223 -0.232 0.000 2.010 408 L HA -0.267 4.082 4.340 0.015 0.000 0.219 408 L C 2.483 179.275 176.870 -0.130 0.000 1.077 408 L CA 1.793 56.557 54.840 -0.126 0.000 0.773 408 L CB -0.728 41.257 42.059 -0.123 0.000 0.892 408 L HN -0.020 nan 8.230 nan 0.000 0.436 409 V N -0.700 119.119 119.914 -0.159 0.000 2.343 409 V HA -0.298 3.831 4.120 0.015 0.000 0.247 409 V C 2.710 178.712 176.094 -0.154 0.000 1.051 409 V CA 1.974 64.200 62.300 -0.125 0.000 1.036 409 V CB -0.630 31.128 31.823 -0.108 0.000 0.654 409 V HN 0.519 nan 8.190 nan 0.000 0.451 410 R N -0.852 119.486 120.500 -0.269 0.000 2.073 410 R HA -0.192 4.157 4.340 0.015 0.000 0.234 410 R C 2.265 178.402 176.300 -0.272 0.000 1.134 410 R CA 2.084 57.980 56.100 -0.340 0.000 0.952 410 R CB -0.337 29.622 30.300 -0.568 0.000 0.850 410 R HN 0.516 nan 8.270 nan 0.000 0.433 411 Y N -0.092 120.162 120.300 -0.077 0.000 2.420 411 Y HA 0.083 4.641 4.550 0.013 0.000 0.292 411 Y C 2.391 178.245 175.900 -0.077 0.000 1.119 411 Y CA 1.013 59.071 58.100 -0.070 0.000 1.229 411 Y CB -0.586 37.823 38.460 -0.085 0.000 1.026 411 Y HN 0.053 nan 8.280 nan 0.000 0.554 412 T N 0.235 114.811 114.554 0.037 0.000 2.833 412 T HA -0.160 4.199 4.350 0.015 0.000 0.269 412 T C 1.729 176.380 174.700 -0.082 0.000 1.054 412 T CA 1.475 63.556 62.100 -0.031 0.000 1.135 412 T CB -0.127 68.712 68.868 -0.048 0.000 0.869 412 T HN 0.347 nan 8.240 nan 0.000 0.466 413 K N 0.655 121.019 120.400 -0.060 0.000 2.228 413 K HA 0.049 4.378 4.320 0.015 0.000 0.202 413 K C 2.331 178.900 176.600 -0.052 0.000 1.051 413 K CA 0.612 56.856 56.287 -0.070 0.000 0.960 413 K CB 0.088 32.562 32.500 -0.043 0.000 0.743 413 K HN 0.232 nan 8.250 nan 0.000 0.458 414 K N 0.815 121.217 120.400 0.003 0.000 2.007 414 K HA -0.037 4.292 4.320 0.015 0.000 0.206 414 K C 1.321 177.920 176.600 -0.002 0.000 1.047 414 K CA 1.231 57.538 56.287 0.033 0.000 0.937 414 K CB 0.004 32.575 32.500 0.119 0.000 0.718 414 K HN 0.084 nan 8.250 nan 0.000 0.438 415 V N -0.453 119.453 119.914 -0.013 0.000 2.320 415 V HA 0.226 4.355 4.120 0.015 0.000 0.257 415 V C -2.481 173.547 176.094 -0.111 0.000 0.996 415 V CA -1.616 60.661 62.300 -0.038 0.000 0.928 415 V CB 1.073 32.900 31.823 0.007 0.000 1.169 415 V HN -0.107 nan 8.190 nan 0.000 0.475 416 P HA -0.106 nan 4.420 nan 0.000 0.221 416 P C 1.391 178.523 177.300 -0.281 0.000 1.145 416 P CA 1.251 64.056 63.100 -0.492 0.000 0.795 416 P CB 0.247 31.133 31.700 -1.357 0.000 0.775 417 Q N -0.906 118.827 119.800 -0.111 0.000 2.224 417 Q HA -0.021 4.328 4.340 0.015 0.000 0.203 417 Q C 0.594 176.620 176.000 0.042 0.000 0.970 417 Q CA 0.501 56.334 55.803 0.050 0.000 0.865 417 Q CB -0.956 27.843 28.738 0.102 0.000 0.922 417 Q HN 0.107 nan 8.270 nan 0.000 0.445 418 V N 1.852 121.779 119.914 0.021 0.000 2.599 418 V HA -0.032 4.097 4.120 0.015 0.000 0.300 418 V C 0.626 176.729 176.094 0.016 0.000 1.034 418 V CA -0.205 62.118 62.300 0.039 0.000 1.115 418 V CB 0.857 32.696 31.823 0.027 0.000 0.934 418 V HN 0.304 nan 8.190 nan 0.000 0.485 419 S N 3.907 119.621 115.700 0.024 0.000 2.558 419 S HA -0.033 4.446 4.470 0.015 0.000 0.287 419 S C 1.365 175.962 174.600 -0.004 0.000 1.321 419 S CA 0.488 58.693 58.200 0.008 0.000 1.048 419 S CB 0.827 64.032 63.200 0.008 0.000 0.844 419 S HN 0.857 nan 8.310 nan 0.000 0.512 420 T N 4.915 119.461 114.554 -0.013 0.000 2.777 420 T HA 0.028 4.387 4.350 0.015 0.000 0.266 420 T C -0.889 173.803 174.700 -0.013 0.000 1.040 420 T CA 1.413 63.502 62.100 -0.019 0.000 1.141 420 T CB -1.051 67.799 68.868 -0.030 0.000 0.868 420 T HN 0.714 nan 8.240 nan 0.000 0.444 421 P HA -0.018 nan 4.420 nan 0.000 0.220 421 P C 1.298 178.596 177.300 -0.004 0.000 1.148 421 P CA 1.136 64.233 63.100 -0.005 0.000 0.803 421 P CB -0.209 31.489 31.700 -0.004 0.000 0.782 422 T N 0.130 114.681 114.554 -0.005 0.000 2.809 422 T HA 0.012 4.371 4.350 0.015 0.000 0.260 422 T C 1.942 176.633 174.700 -0.016 0.000 1.039 422 T CA 0.688 62.784 62.100 -0.006 0.000 1.141 422 T CB -0.780 68.091 68.868 0.004 0.000 0.869 422 T HN 0.001 nan 8.240 nan 0.000 0.437 423 L N 0.856 122.071 121.223 -0.014 0.000 2.042 423 L HA -0.129 4.220 4.340 0.015 0.000 0.210 423 L C 2.571 179.433 176.870 -0.013 0.000 1.076 423 L CA 1.070 55.901 54.840 -0.015 0.000 0.749 423 L CB -0.486 41.568 42.059 -0.009 0.000 0.893 423 L HN 0.130 nan 8.230 nan 0.000 0.432 424 V N -0.736 119.170 119.914 -0.012 0.000 2.233 424 V HA -0.355 3.774 4.120 0.015 0.000 0.247 424 V C 2.616 178.704 176.094 -0.010 0.000 1.050 424 V CA 2.121 64.414 62.300 -0.011 0.000 1.010 424 V CB -0.569 31.253 31.823 -0.002 0.000 0.637 424 V HN 0.473 nan 8.190 nan 0.000 0.444 425 E N -0.595 119.600 120.200 -0.009 0.000 2.049 425 E HA -0.248 4.111 4.350 0.015 0.000 0.198 425 E C 2.193 178.779 176.600 -0.024 0.000 1.007 425 E CA 1.756 58.150 56.400 -0.010 0.000 0.809 425 E CB -0.626 29.068 29.700 -0.009 0.000 0.749 425 E HN 0.452 nan 8.360 nan 0.000 0.450 426 V N 0.731 120.620 119.914 -0.041 0.000 2.295 426 V HA -0.218 3.911 4.120 0.015 0.000 0.246 426 V C 2.462 178.522 176.094 -0.056 0.000 1.049 426 V CA 2.335 64.591 62.300 -0.074 0.000 1.024 426 V CB -0.565 31.182 31.823 -0.127 0.000 0.648 426 V HN 0.481 nan 8.190 nan 0.000 0.447 427 S N -0.851 114.837 115.700 -0.020 0.000 2.515 427 S HA -0.043 4.436 4.470 0.015 0.000 0.231 427 S C 1.907 176.494 174.600 -0.022 0.000 0.987 427 S CA 0.666 58.872 58.200 0.009 0.000 0.936 427 S CB -0.183 63.030 63.200 0.023 0.000 0.766 427 S HN 0.524 nan 8.310 nan 0.000 0.528 428 R N 1.618 122.110 120.500 -0.014 0.000 2.066 428 R HA 0.135 4.484 4.340 0.015 0.000 0.224 428 R C 1.558 177.866 176.300 0.013 0.000 1.122 428 R CA 0.931 57.034 56.100 0.004 0.000 0.974 428 R CB -0.302 30.006 30.300 0.013 0.000 0.871 428 R HN 0.321 nan 8.270 nan 0.000 0.435 429 N N 0.987 119.683 118.700 -0.006 0.000 2.309 429 N HA -0.120 4.629 4.740 0.015 0.000 0.182 429 N C 1.686 177.188 175.510 -0.013 0.000 1.018 429 N CA 0.812 53.850 53.050 -0.019 0.000 0.876 429 N CB -0.122 38.345 38.487 -0.033 0.000 0.972 429 N HN 0.046 nan 8.380 nan 0.000 0.434 430 L N 0.795 122.016 121.223 -0.004 0.000 2.056 430 L HA 0.028 4.377 4.340 0.015 0.000 0.207 430 L C 2.269 179.196 176.870 0.096 0.000 1.078 430 L CA 1.390 56.246 54.840 0.026 0.000 0.749 430 L CB -1.117 40.958 42.059 0.026 0.000 0.901 430 L HN 0.167 nan 8.230 nan 0.000 0.433 431 G N -1.195 107.663 108.800 0.096 0.000 2.432 431 G HA2 -0.239 3.730 3.960 0.015 0.000 0.219 431 G HA3 -0.239 3.730 3.960 0.015 0.000 0.219 431 G C 1.706 176.767 174.900 0.267 0.000 1.135 431 G CA 0.558 45.822 45.100 0.272 0.000 0.767 431 G HN 0.325 nan 8.290 nan 0.000 0.550 432 K N 0.064 120.531 120.400 0.113 0.000 2.057 432 K HA -0.017 4.312 4.320 0.015 0.000 0.207 432 K C 2.559 179.124 176.600 -0.059 0.000 1.049 432 K CA 1.012 57.316 56.287 0.028 0.000 0.931 432 K CB -0.331 32.147 32.500 -0.037 0.000 0.714 432 K HN 0.232 nan 8.250 nan 0.000 0.440 433 V N 1.097 120.980 119.914 -0.051 0.000 2.392 433 V HA -0.212 3.917 4.120 0.015 0.000 0.249 433 V C 2.424 178.500 176.094 -0.030 0.000 1.059 433 V CA 2.199 64.479 62.300 -0.034 0.000 1.051 433 V CB -1.048 30.819 31.823 0.074 0.000 0.658 433 V HN 0.492 nan 8.190 nan 0.000 0.455 434 G N 0.055 108.832 108.800 -0.039 0.000 2.418 434 G HA2 -0.286 3.683 3.960 0.015 0.000 0.217 434 G HA3 -0.286 3.683 3.960 0.015 0.000 0.217 434 G C 1.880 176.232 174.900 -0.912 0.000 1.158 434 G CA 1.400 46.306 45.100 -0.323 0.000 0.771 434 G HN 0.655 nan 8.290 nan 0.000 0.545 435 S N -0.066 115.182 115.700 -0.754 0.000 2.414 435 S HA 0.061 4.540 4.470 0.015 0.000 0.227 435 S C 2.088 176.552 174.600 -0.225 0.000 1.022 435 S CA 1.509 59.314 58.200 -0.660 0.000 0.958 435 S CB -0.109 63.111 63.200 0.035 0.000 0.797 435 S HN 0.336 nan 8.310 nan 0.000 0.493 436 K N -0.190 120.147 120.400 -0.106 0.000 2.296 436 K HA 0.190 4.519 4.320 0.015 0.000 0.200 436 K C 1.470 178.201 176.600 0.220 0.000 1.048 436 K CA 1.155 57.485 56.287 0.071 0.000 0.966 436 K CB -0.136 32.389 32.500 0.040 0.000 0.754 436 K HN 0.534 nan 8.250 nan 0.000 0.466 437 c N -1.425 117.231 118.600 0.093 0.000 2.563 437 c HA 0.147 4.726 4.570 0.015 0.000 0.346 437 c C 2.158 176.281 174.090 0.054 0.000 1.334 437 c CA -0.511 55.862 56.329 0.074 0.000 1.938 437 c CB -0.342 42.167 42.510 -0.001 0.000 2.445 437 c HN 0.535 nan 8.230 nan 0.000 0.541 438 c N 1.898 120.432 118.600 -0.110 0.000 2.443 438 c HA -0.010 4.569 4.570 0.015 0.000 0.290 438 c C 2.892 176.997 174.090 0.024 0.000 1.476 438 c CA 1.642 57.909 56.329 -0.103 0.000 1.772 438 c CB -1.847 40.481 42.510 -0.304 0.000 1.714 438 c HN 0.770 nan 8.230 nan 0.000 0.562 439 K N 0.746 121.204 120.400 0.097 0.000 1.984 439 K HA -0.087 4.243 4.320 0.015 0.000 0.209 439 K C 0.774 177.436 176.600 0.102 0.000 1.046 439 K CA 0.908 57.242 56.287 0.077 0.000 0.934 439 K CB -1.066 31.424 32.500 -0.016 0.000 0.717 439 K HN 0.832 nan 8.250 nan 0.000 0.438 440 H N 1.021 120.089 119.070 -0.005 0.000 2.790 440 H HA 0.172 4.738 4.556 0.016 0.000 0.358 440 H C -2.107 173.218 175.328 -0.005 0.000 1.103 440 H CA -2.363 53.683 56.048 -0.003 0.000 1.426 440 H CB 0.164 29.922 29.762 -0.007 0.000 1.424 440 H HN 0.161 nan 8.280 nan 0.000 0.599 441 P HA -0.163 nan 4.420 nan 0.000 0.272 441 P C 1.113 178.443 177.300 0.050 0.000 1.225 441 P CA 0.324 63.463 63.100 0.065 0.000 0.800 441 P CB 0.512 32.240 31.700 0.047 0.000 0.894 442 E N 0.444 120.663 120.200 0.031 0.000 2.409 442 E HA -0.154 4.205 4.350 0.015 0.000 0.198 442 E C 1.430 178.038 176.600 0.013 0.000 1.024 442 E CA 1.099 57.511 56.400 0.020 0.000 0.861 442 E CB -0.529 29.186 29.700 0.024 0.000 0.788 442 E HN 0.371 nan 8.360 nan 0.000 0.521 443 A N 1.507 124.334 122.820 0.011 0.000 1.969 443 A HA -0.071 4.258 4.320 0.015 0.000 0.218 443 A C 2.284 179.854 177.584 -0.022 0.000 1.169 443 A CA 2.089 54.124 52.037 -0.003 0.000 0.635 443 A CB -0.531 18.464 19.000 -0.009 0.000 0.810 443 A HN 0.359 nan 8.150 nan 0.000 0.445 444 K N -0.310 120.070 120.400 -0.033 0.000 2.455 444 K HA 0.402 4.731 4.320 0.015 0.000 0.206 444 K C 1.558 178.028 176.600 -0.217 0.000 1.027 444 K CA 0.269 56.495 56.287 -0.102 0.000 1.113 444 K CB -0.319 32.145 32.500 -0.059 0.000 0.850 444 K HN 0.560 nan 8.250 nan 0.000 0.503 445 R N -0.404 120.012 120.500 -0.139 0.000 2.051 445 R HA 0.201 4.550 4.340 0.015 0.000 0.225 445 R C 2.332 178.556 176.300 -0.127 0.000 1.155 445 R CA 1.453 57.463 56.100 -0.150 0.000 0.945 445 R CB -0.220 30.041 30.300 -0.064 0.000 0.840 445 R HN 0.379 nan 8.270 nan 0.000 0.432 446 M N 0.353 119.910 119.600 -0.072 0.000 2.088 446 M HA -0.170 4.319 4.480 0.015 0.000 0.256 446 M C -0.878 175.369 176.300 -0.088 0.000 1.071 446 M CA 2.242 57.505 55.300 -0.061 0.000 1.097 446 M CB -1.042 31.541 32.600 -0.029 0.000 1.315 446 M HN 0.014 nan 8.290 nan 0.000 0.406 447 P HA -0.163 nan 4.420 nan 0.000 0.215 447 P C 1.661 178.850 177.300 -0.184 0.000 1.157 447 P CA 1.306 64.330 63.100 -0.125 0.000 0.868 447 P CB -0.348 31.274 31.700 -0.129 0.000 0.788 448 c N -0.113 118.340 118.600 -0.245 0.000 2.388 448 c HA -0.167 4.412 4.570 0.015 0.000 0.277 448 c C 2.861 176.772 174.090 -0.298 0.000 1.210 448 c CA 1.940 58.059 56.329 -0.350 0.000 1.743 448 c CB -1.674 40.601 42.510 -0.392 0.000 2.047 448 c HN 0.240 nan 8.230 nan 0.000 0.458 449 A N -0.049 122.690 122.820 -0.134 0.000 1.892 449 A HA -0.271 4.059 4.320 0.015 0.000 0.218 449 A C 2.207 179.773 177.584 -0.030 0.000 1.188 449 A CA 2.181 54.202 52.037 -0.026 0.000 0.631 449 A CB -1.116 17.877 19.000 -0.011 0.000 0.822 449 A HN 0.846 nan 8.150 nan 0.000 0.447 450 E N -0.570 119.592 120.200 -0.062 0.000 2.070 450 E HA -0.293 4.066 4.350 0.015 0.000 0.197 450 E C 1.510 178.091 176.600 -0.033 0.000 1.004 450 E CA 1.576 57.955 56.400 -0.035 0.000 0.805 450 E CB -0.234 29.446 29.700 -0.033 0.000 0.744 450 E HN 0.517 nan 8.360 nan 0.000 0.451 451 D N -0.954 119.380 120.400 -0.110 0.000 2.144 451 D HA -0.143 4.507 4.640 0.015 0.000 0.199 451 D C 1.665 177.938 176.300 -0.045 0.000 0.984 451 D CA 0.911 54.836 54.000 -0.124 0.000 0.834 451 D CB -0.080 40.558 40.800 -0.270 0.000 0.955 451 D HN 0.301 nan 8.370 nan 0.000 0.465 452 Y N -0.015 120.288 120.300 0.006 0.000 2.206 452 Y HA -0.006 4.553 4.550 0.015 0.000 0.292 452 Y C 2.136 178.030 175.900 -0.010 0.000 1.123 452 Y CA 0.031 58.134 58.100 0.005 0.000 1.142 452 Y CB -0.877 37.584 38.460 0.002 0.000 1.006 452 Y HN -0.063 nan 8.280 nan 0.000 0.518 453 L N 0.227 121.538 121.223 0.147 0.000 2.043 453 L HA -0.253 4.096 4.340 0.015 0.000 0.212 453 L C 2.715 179.597 176.870 0.019 0.000 1.075 453 L CA 2.145 57.015 54.840 0.050 0.000 0.752 453 L CB -1.442 40.631 42.059 0.024 0.000 0.891 453 L HN 0.371 nan 8.230 nan 0.000 0.432 454 S N -0.866 114.851 115.700 0.028 0.000 2.368 454 S HA -0.219 4.260 4.470 0.015 0.000 0.226 454 S C 1.987 176.594 174.600 0.012 0.000 1.044 454 S CA 2.314 60.520 58.200 0.010 0.000 1.062 454 S CB -1.210 61.992 63.200 0.003 0.000 0.931 454 S HN 0.299 nan 8.310 nan 0.000 0.440 455 V N 0.734 120.672 119.914 0.040 0.000 2.358 455 V HA -0.027 4.102 4.120 0.015 0.000 0.246 455 V C 2.599 178.701 176.094 0.013 0.000 1.047 455 V CA 1.430 63.754 62.300 0.039 0.000 1.035 455 V CB -1.439 30.430 31.823 0.077 0.000 0.658 455 V HN 0.435 nan 8.190 nan 0.000 0.452 456 V N -0.044 119.874 119.914 0.006 0.000 2.332 456 V HA -0.217 3.912 4.120 0.015 0.000 0.248 456 V C 2.566 178.602 176.094 -0.097 0.000 1.055 456 V CA 2.011 64.286 62.300 -0.042 0.000 1.038 456 V CB -0.678 31.115 31.823 -0.050 0.000 0.651 456 V HN 0.414 nan 8.190 nan 0.000 0.450 457 L N 0.212 121.368 121.223 -0.111 0.000 2.141 457 L HA -0.091 4.259 4.340 0.015 0.000 0.209 457 L C 2.135 178.962 176.870 -0.073 0.000 1.094 457 L CA 1.811 56.548 54.840 -0.172 0.000 0.763 457 L CB -1.301 40.682 42.059 -0.127 0.000 0.908 457 L HN 0.401 nan 8.230 nan 0.000 0.437 458 N N -1.021 117.666 118.700 -0.022 0.000 2.216 458 N HA -0.197 4.552 4.740 0.015 0.000 0.183 458 N C 1.863 177.376 175.510 0.005 0.000 1.017 458 N CA 0.905 53.962 53.050 0.010 0.000 0.861 458 N CB -0.037 38.459 38.487 0.015 0.000 0.986 458 N HN 0.366 nan 8.380 nan 0.000 0.428 459 Q N -0.109 119.686 119.800 -0.009 0.000 2.135 459 Q HA -0.168 4.181 4.340 0.015 0.000 0.204 459 Q C 1.945 177.938 176.000 -0.013 0.000 0.981 459 Q CA 1.253 57.053 55.803 -0.006 0.000 0.856 459 Q CB -0.131 28.601 28.738 -0.010 0.000 0.902 459 Q HN 0.466 nan 8.270 nan 0.000 0.425 460 L N -0.051 121.145 121.223 -0.046 0.000 2.072 460 L HA -0.092 4.257 4.340 0.015 0.000 0.205 460 L C 2.215 179.097 176.870 0.020 0.000 1.079 460 L CA 1.711 56.519 54.840 -0.054 0.000 0.752 460 L CB -0.951 41.003 42.059 -0.175 0.000 0.906 460 L HN 0.237 nan 8.230 nan 0.000 0.436 461 c N -1.091 117.534 118.600 0.041 0.000 2.435 461 c HA -0.068 4.511 4.570 0.015 0.000 0.279 461 c C 2.759 176.912 174.090 0.104 0.000 1.321 461 c CA 0.796 57.190 56.329 0.108 0.000 1.752 461 c CB -0.854 41.725 42.510 0.116 0.000 1.959 461 c HN 0.525 nan 8.230 nan 0.000 0.500 462 V N 1.115 121.066 119.914 0.062 0.000 2.332 462 V HA -0.235 3.894 4.120 0.015 0.000 0.248 462 V C 2.339 178.461 176.094 0.047 0.000 1.055 462 V CA 1.861 64.188 62.300 0.045 0.000 1.038 462 V CB -0.600 31.239 31.823 0.026 0.000 0.651 462 V HN 0.552 nan 8.190 nan 0.000 0.450 463 L N -0.826 120.429 121.223 0.053 0.000 1.976 463 L HA -0.214 4.135 4.340 0.015 0.000 0.209 463 L C 2.615 179.522 176.870 0.062 0.000 1.071 463 L CA 2.087 56.954 54.840 0.046 0.000 0.746 463 L CB -1.058 41.028 42.059 0.044 0.000 0.890 463 L HN 0.401 nan 8.230 nan 0.000 0.432 464 H N 0.308 119.385 119.070 0.012 0.000 2.518 464 H HA -0.193 4.373 4.556 0.017 0.000 0.294 464 H C 2.027 177.365 175.328 0.017 0.000 1.083 464 H CA 1.621 57.681 56.048 0.020 0.000 1.264 464 H CB 0.404 30.190 29.762 0.041 0.000 1.370 464 H HN 0.526 nan 8.280 nan 0.000 0.560 465 E N 1.490 121.725 120.200 0.059 0.000 2.005 465 E HA -0.125 4.234 4.350 0.015 0.000 0.191 465 E C 2.131 178.708 176.600 -0.038 0.000 0.987 465 E CA 1.170 57.580 56.400 0.016 0.000 0.814 465 E CB -0.434 29.284 29.700 0.029 0.000 0.772 465 E HN 0.428 nan 8.360 nan 0.000 0.453 466 K N 0.197 120.581 120.400 -0.027 0.000 2.520 466 K HA -0.026 4.303 4.320 0.015 0.000 0.197 466 K C -0.023 176.542 176.600 -0.059 0.000 1.043 466 K CA 1.401 57.667 56.287 -0.035 0.000 0.944 466 K CB 0.118 32.606 32.500 -0.021 0.000 0.770 466 K HN 0.482 nan 8.250 nan 0.000 0.480 467 T N -1.223 113.269 114.554 -0.104 0.000 3.824 467 T HA 0.179 4.538 4.350 0.015 0.000 0.232 467 T C -2.913 171.614 174.700 -0.289 0.000 0.927 467 T CA -1.659 60.359 62.100 -0.137 0.000 1.620 467 T CB 0.893 69.710 68.868 -0.086 0.000 0.762 467 T HN -0.246 nan 8.240 nan 0.000 0.619 468 P HA 0.197 nan 4.420 nan 0.000 0.263 468 P C 0.404 177.474 177.300 -0.383 0.000 1.175 468 P CA -0.018 62.721 63.100 -0.603 0.000 0.761 468 P CB 1.002 32.556 31.700 -0.244 0.000 0.794 469 V N 0.884 120.593 119.914 -0.342 0.000 3.245 469 V HA 0.116 4.245 4.120 0.015 0.000 0.246 469 V C 0.567 176.779 176.094 0.196 0.000 1.487 469 V CA 0.646 62.963 62.300 0.028 0.000 1.154 469 V CB 0.896 32.767 31.823 0.080 0.000 0.971 469 V HN 0.523 nan 8.190 nan 0.000 0.443 470 S N 0.589 116.568 115.700 0.465 0.000 2.538 470 S HA 0.309 4.788 4.470 0.015 0.000 0.288 470 S C 0.516 175.239 174.600 0.205 0.000 1.108 470 S CA -0.201 58.147 58.200 0.247 0.000 0.971 470 S CB 1.677 64.958 63.200 0.135 0.000 1.041 470 S HN 0.552 nan 8.310 nan 0.000 0.483 471 D N 4.376 124.838 120.400 0.104 0.000 2.183 471 D HA -0.107 4.542 4.640 0.015 0.000 0.203 471 D C 1.493 177.797 176.300 0.006 0.000 0.969 471 D CA 0.761 54.800 54.000 0.065 0.000 0.842 471 D CB -0.044 40.779 40.800 0.039 0.000 0.957 471 D HN 0.443 nan 8.370 nan 0.000 0.484 472 R N 0.597 121.084 120.500 -0.022 0.000 2.062 472 R HA -0.011 4.338 4.340 0.015 0.000 0.231 472 R C 2.678 178.868 176.300 -0.183 0.000 1.136 472 R CA 0.979 57.027 56.100 -0.087 0.000 0.948 472 R CB -0.607 29.656 30.300 -0.063 0.000 0.845 472 R HN 0.027 nan 8.270 nan 0.000 0.430 473 V N 0.403 120.196 119.914 -0.201 0.000 2.392 473 V HA -0.286 3.843 4.120 0.015 0.000 0.249 473 V C 2.025 177.934 176.094 -0.309 0.000 1.059 473 V CA 2.241 64.362 62.300 -0.299 0.000 1.051 473 V CB -0.512 31.008 31.823 -0.504 0.000 0.658 473 V HN 0.458 nan 8.190 nan 0.000 0.455 474 T N -0.761 113.673 114.554 -0.199 0.000 2.867 474 T HA -0.181 4.178 4.350 0.015 0.000 0.268 474 T C 1.945 176.609 174.700 -0.060 0.000 1.057 474 T CA 1.653 63.744 62.100 -0.014 0.000 1.136 474 T CB -0.139 68.812 68.868 0.139 0.000 0.874 474 T HN 0.422 nan 8.240 nan 0.000 0.466 475 K N 1.123 121.457 120.400 -0.110 0.000 2.002 475 K HA -0.050 4.279 4.320 0.015 0.000 0.209 475 K C 2.253 178.751 176.600 -0.171 0.000 1.048 475 K CA 1.700 57.917 56.287 -0.116 0.000 0.930 475 K CB -1.000 31.429 32.500 -0.119 0.000 0.714 475 K HN 0.366 nan 8.250 nan 0.000 0.438 476 c N -0.051 118.346 118.600 -0.339 0.000 2.440 476 c HA -0.037 4.543 4.570 0.015 0.000 0.278 476 c C 2.818 176.762 174.090 -0.242 0.000 1.295 476 c CA 0.530 56.586 56.329 -0.456 0.000 1.738 476 c CB -1.195 40.612 42.510 -1.173 0.000 1.987 476 c HN 0.634 nan 8.230 nan 0.000 0.492 477 c N 1.530 120.038 118.600 -0.155 0.000 2.432 477 c HA -0.072 4.507 4.570 0.015 0.000 0.280 477 c C 2.807 176.926 174.090 0.049 0.000 1.353 477 c CA 1.947 58.298 56.329 0.036 0.000 1.766 477 c CB -1.608 40.949 42.510 0.078 0.000 1.924 477 c HN 0.831 nan 8.230 nan 0.000 0.509 478 T N -2.294 112.269 114.554 0.014 0.000 3.044 478 T HA 0.066 4.425 4.350 0.015 0.000 0.250 478 T C 0.396 175.135 174.700 0.065 0.000 1.081 478 T CA 0.161 62.281 62.100 0.034 0.000 1.040 478 T CB 0.132 69.006 68.868 0.010 0.000 0.962 478 T HN 0.558 nan 8.240 nan 0.000 0.506 479 E N 2.367 122.593 120.200 0.043 0.000 2.397 479 E HA 0.326 4.685 4.350 0.015 0.000 0.254 479 E C -0.143 176.548 176.600 0.153 0.000 1.231 479 E CA -0.288 56.149 56.400 0.060 0.000 0.954 479 E CB 0.606 30.297 29.700 -0.016 0.000 1.024 479 E HN 0.465 nan 8.360 nan 0.000 0.481 480 S N 0.256 116.027 115.700 0.119 0.000 2.552 480 S HA 0.008 4.487 4.470 0.015 0.000 0.289 480 S C 1.389 175.885 174.600 -0.175 0.000 1.304 480 S CA 0.088 58.297 58.200 0.015 0.000 1.063 480 S CB 0.639 63.806 63.200 -0.054 0.000 0.848 480 S HN 0.680 nan 8.310 nan 0.000 0.499 481 L N 2.261 123.168 121.223 -0.527 0.000 2.757 481 L HA 0.084 4.433 4.340 0.015 0.000 0.243 481 L C 1.707 178.439 176.870 -0.231 0.000 1.182 481 L CA 1.206 55.837 54.840 -0.348 0.000 0.851 481 L CB -1.762 nan 42.059 nan 0.000 0.989 481 L HN 0.834 nan 8.230 nan 0.000 0.457 482 V N -1.682 118.110 119.914 -0.204 0.000 3.307 482 V HA 0.028 4.157 4.120 0.015 0.000 0.244 482 V C 1.849 177.896 176.094 -0.078 0.000 1.196 482 V CA 0.915 63.142 62.300 -0.123 0.000 1.132 482 V CB 0.131 31.881 31.823 -0.121 0.000 0.875 482 V HN 0.754 nan 8.190 nan 0.000 0.468 483 N N 0.027 118.686 118.700 -0.068 0.000 2.299 483 N HA 0.091 4.840 4.740 0.015 0.000 0.187 483 N C 1.646 177.132 175.510 -0.038 0.000 1.099 483 N CA 0.116 53.137 53.050 -0.048 0.000 0.867 483 N CB 0.013 38.474 38.487 -0.043 0.000 0.974 483 N HN 0.345 nan 8.380 nan 0.000 0.477 484 R N 1.138 121.627 120.500 -0.020 0.000 2.154 484 R HA -0.114 4.235 4.340 0.015 0.000 0.236 484 R C 2.138 178.506 176.300 0.114 0.000 1.121 484 R CA 1.597 57.718 56.100 0.033 0.000 0.915 484 R CB 0.009 30.356 30.300 0.079 0.000 0.856 484 R HN 0.029 nan 8.270 nan 0.000 0.431 485 R N -0.164 120.406 120.500 0.117 0.000 2.070 485 R HA -0.072 4.277 4.340 0.015 0.000 0.233 485 R C -0.814 175.547 176.300 0.102 0.000 1.137 485 R CA 1.751 57.938 56.100 0.144 0.000 0.945 485 R CB -1.405 28.932 30.300 0.061 0.000 0.845 485 R HN 0.276 nan 8.270 nan 0.000 0.430 486 P HA -0.130 nan 4.420 nan 0.000 0.218 486 P C 1.662 178.963 177.300 0.001 0.000 1.148 486 P CA 0.927 64.033 63.100 0.010 0.000 0.822 486 P CB -0.300 31.388 31.700 -0.019 0.000 0.784 487 c N -1.716 116.860 118.600 -0.040 0.000 2.436 487 c HA -0.153 4.426 4.570 0.015 0.000 0.277 487 c C 2.422 176.434 174.090 -0.130 0.000 1.241 487 c CA 0.715 56.966 56.329 -0.131 0.000 1.721 487 c CB -2.060 40.296 42.510 -0.257 0.000 2.043 487 c HN 0.062 nan 8.230 nan 0.000 0.472 488 F N 1.671 121.592 119.950 -0.049 0.000 2.126 488 F HA -0.111 4.426 4.527 0.017 0.000 0.299 488 F C 2.802 178.585 175.800 -0.029 0.000 1.096 488 F CA 2.058 60.018 58.000 -0.066 0.000 1.255 488 F CB -0.880 38.055 39.000 -0.108 0.000 0.997 488 F HN 0.174 nan 8.300 nan 0.000 0.479 489 S N -0.355 115.450 115.700 0.176 0.000 2.400 489 S HA -0.179 4.300 4.470 0.015 0.000 0.232 489 S C 2.249 176.902 174.600 0.088 0.000 1.025 489 S CA 1.011 59.286 58.200 0.125 0.000 0.993 489 S CB -0.588 62.662 63.200 0.084 0.000 0.808 489 S HN 0.377 nan 8.310 nan 0.000 0.478 490 A N 0.840 123.689 122.820 0.049 0.000 2.067 490 A HA 0.265 4.595 4.320 0.015 0.000 0.217 490 A C 0.834 178.432 177.584 0.024 0.000 1.156 490 A CA 0.117 52.168 52.037 0.023 0.000 0.683 490 A CB -0.427 18.568 19.000 -0.008 0.000 0.808 490 A HN 0.413 nan 8.150 nan 0.000 0.455 491 L N 1.339 122.582 121.223 0.033 0.000 2.593 491 L HA -0.063 4.286 4.340 0.015 0.000 0.287 491 L C 0.313 177.212 176.870 0.050 0.000 1.243 491 L CA 0.509 55.370 54.840 0.035 0.000 0.890 491 L CB 0.115 42.218 42.059 0.073 0.000 1.134 491 L HN 0.459 nan 8.230 nan 0.000 0.502 492 E N 1.825 122.044 120.200 0.033 0.000 2.249 492 E HA 0.341 4.700 4.350 0.015 0.000 0.263 492 E C -0.838 175.780 176.600 0.031 0.000 0.950 492 E CA -1.099 55.320 56.400 0.032 0.000 0.827 492 E CB 2.112 31.825 29.700 0.022 0.000 1.220 492 E HN 0.223 nan 8.360 nan 0.000 0.411 493 V N 2.135 122.064 119.914 0.026 0.000 2.584 493 V HA -0.114 4.015 4.120 0.015 0.000 0.303 493 V C 0.483 176.592 176.094 0.025 0.000 1.035 493 V CA 0.507 62.819 62.300 0.019 0.000 1.172 493 V CB -0.023 31.809 31.823 0.015 0.000 0.896 493 V HN 0.594 nan 8.190 nan 0.000 0.486 494 D N 5.019 125.431 120.400 0.020 0.000 2.398 494 D HA 0.188 4.837 4.640 0.015 0.000 0.250 494 D C 1.154 177.506 176.300 0.086 0.000 1.287 494 D CA 0.809 54.837 54.000 0.046 0.000 0.992 494 D CB 1.199 42.015 40.800 0.027 0.000 1.071 494 D HN 0.831 nan 8.370 nan 0.000 0.514 495 E N 1.938 122.182 120.200 0.074 0.000 2.158 495 E HA -0.122 4.237 4.350 0.015 0.000 0.191 495 E C 1.862 178.517 176.600 0.092 0.000 0.982 495 E CA 0.999 57.444 56.400 0.076 0.000 0.823 495 E CB -0.645 29.085 29.700 0.050 0.000 0.766 495 E HN 0.451 nan 8.360 nan 0.000 0.468 496 T N -0.342 114.267 114.554 0.092 0.000 2.788 496 T HA -0.046 4.313 4.350 0.015 0.000 0.268 496 T C 0.685 175.452 174.700 0.112 0.000 1.044 496 T CA 0.803 62.953 62.100 0.084 0.000 1.139 496 T CB -0.565 68.348 68.868 0.074 0.000 0.867 496 T HN 0.557 nan 8.240 nan 0.000 0.454 497 Y N 3.005 123.316 120.300 0.018 0.000 2.987 497 Y HA 0.104 4.663 4.550 0.015 0.000 0.339 497 Y C 0.001 175.913 175.900 0.020 0.000 1.272 497 Y CA -0.820 57.291 58.100 0.019 0.000 1.562 497 Y CB 0.346 38.818 38.460 0.019 0.000 1.253 497 Y HN -0.024 nan 8.280 nan 0.000 0.604 498 V N 6.548 126.047 119.914 -0.691 0.000 2.293 498 V HA 0.431 4.560 4.120 0.015 0.000 0.275 498 V C -2.370 173.255 176.094 -0.781 0.000 1.021 498 V CA -2.451 59.539 62.300 -0.517 0.000 0.815 498 V CB 0.321 31.976 31.823 -0.281 0.000 1.025 498 V HN 0.698 nan 8.190 nan 0.000 0.448 499 P HA 0.177 nan 4.420 nan 0.000 0.264 499 P C 0.395 177.655 177.300 -0.067 0.000 1.173 499 P CA 0.861 63.880 63.100 -0.135 0.000 0.761 499 P CB 0.222 31.972 31.700 0.084 0.000 0.794 500 K N 1.232 121.652 120.400 0.032 0.000 2.120 500 K HA 0.540 4.869 4.320 0.015 0.000 0.245 500 K C 0.648 177.418 176.600 0.284 0.000 1.024 500 K CA 0.119 56.458 56.287 0.088 0.000 0.906 500 K CB -0.546 31.974 32.500 0.033 0.000 1.051 500 K HN 0.695 nan 8.250 nan 0.000 0.491 501 E N 0.827 121.179 120.200 0.253 0.000 2.316 501 E HA 0.486 4.845 4.350 0.015 0.000 0.275 501 E C -0.254 176.517 176.600 0.284 0.000 1.029 501 E CA -0.698 55.852 56.400 0.249 0.000 0.871 501 E CB 0.124 29.906 29.700 0.138 0.000 1.022 501 E HN 0.639 nan 8.360 nan 0.000 0.418 502 F N 2.640 122.570 119.950 -0.033 0.000 2.650 502 F HA 0.100 4.635 4.527 0.015 0.000 0.355 502 F C 0.902 176.599 175.800 -0.171 0.000 1.163 502 F CA 1.054 58.839 58.000 -0.359 0.000 1.374 502 F CB 0.464 39.328 39.000 -0.228 0.000 1.065 502 F HN 0.681 nan 8.300 nan 0.000 0.616 503 N N 1.241 119.272 118.700 -1.115 0.000 3.201 503 N HA 0.731 5.480 4.740 0.015 0.000 0.344 503 N C -0.578 174.536 175.510 -0.659 0.000 1.465 503 N CA -0.302 52.401 53.050 -0.578 0.000 0.731 503 N CB 1.908 40.218 38.487 -0.297 0.000 1.677 503 N HN 0.574 nan 8.380 nan 0.000 0.631 504 A N -0.855 121.813 122.820 -0.253 0.000 1.998 504 A HA 0.218 4.547 4.320 0.015 0.000 0.180 504 A C 1.288 178.806 177.584 -0.111 0.000 1.858 504 A CA 0.807 52.780 52.037 -0.106 0.000 1.403 504 A CB -0.718 18.261 19.000 -0.034 0.000 1.550 504 A HN 0.625 nan 8.150 nan 0.000 0.385 505 E N 0.059 120.173 120.200 -0.144 0.000 2.072 505 E HA -0.129 4.230 4.350 0.015 0.000 0.191 505 E C 1.842 178.280 176.600 -0.270 0.000 0.985 505 E CA 2.113 58.418 56.400 -0.159 0.000 0.801 505 E CB -1.518 28.114 29.700 -0.112 0.000 0.750 505 E HN 0.472 nan 8.360 nan 0.000 0.452 506 T N -0.290 114.054 114.554 -0.350 0.000 2.962 506 T HA 0.044 4.403 4.350 0.015 0.000 0.270 506 T C 0.385 174.574 174.700 -0.852 0.000 1.088 506 T CA 0.910 62.663 62.100 -0.579 0.000 1.127 506 T CB -0.278 68.173 68.868 -0.696 0.000 0.883 506 T HN 0.411 nan 8.240 nan 0.000 0.493 507 F N 1.429 121.162 119.950 -0.361 0.000 2.923 507 F HA 0.350 4.886 4.527 0.015 0.000 0.314 507 F C 0.605 176.034 175.800 -0.618 0.000 1.196 507 F CA -0.547 57.217 58.000 -0.393 0.000 1.320 507 F CB 0.104 39.025 39.000 -0.132 0.000 0.953 507 F HN -0.177 nan 8.300 nan 0.000 0.505 508 T N 0.812 114.913 114.554 -0.756 0.000 2.823 508 T HA 0.582 4.941 4.350 0.015 0.000 0.279 508 T C -0.890 173.222 174.700 -0.981 0.000 0.998 508 T CA -0.223 61.508 62.100 -0.615 0.000 0.994 508 T CB 0.943 69.588 68.868 -0.371 0.000 0.960 508 T HN -0.102 nan 8.240 nan 0.000 0.448 509 F N 2.726 122.659 119.950 -0.028 0.000 2.539 509 F HA 0.375 4.911 4.527 0.015 0.000 0.328 509 F C 0.537 176.273 175.800 -0.107 0.000 1.148 509 F CA -1.155 56.849 58.000 0.006 0.000 0.940 509 F CB 1.136 40.296 39.000 0.267 0.000 1.194 509 F HN 0.477 nan 8.300 nan 0.000 0.438 510 H N 1.530 120.733 119.070 0.222 0.000 2.511 510 H HA 0.338 4.903 4.556 0.015 0.000 0.346 510 H C 0.823 176.218 175.328 0.112 0.000 1.128 510 H CA -0.091 56.040 56.048 0.138 0.000 1.342 510 H CB 1.816 31.627 29.762 0.082 0.000 1.470 510 H HN 0.820 nan 8.280 nan 0.000 0.546 511 A N 2.466 125.400 122.820 0.189 0.000 2.298 511 A HA -0.176 4.153 4.320 0.015 0.000 0.215 511 A C 1.309 178.933 177.584 0.066 0.000 1.193 511 A CA 1.261 53.349 52.037 0.083 0.000 0.697 511 A CB -0.513 18.521 19.000 0.056 0.000 0.774 511 A HN 0.671 nan 8.150 nan 0.000 0.492 512 D N 0.521 120.983 120.400 0.103 0.000 2.224 512 D HA -0.153 4.497 4.640 0.015 0.000 0.205 512 D C 1.724 178.060 176.300 0.060 0.000 0.965 512 D CA 1.361 55.405 54.000 0.074 0.000 0.852 512 D CB -0.580 40.274 40.800 0.090 0.000 0.947 512 D HN 0.784 nan 8.370 nan 0.000 0.494 513 I N -0.407 120.207 120.570 0.073 0.000 2.454 513 I HA -0.204 3.975 4.170 0.015 0.000 0.254 513 I C 2.080 178.196 176.117 -0.000 0.000 1.156 513 I CA 0.921 62.252 61.300 0.053 0.000 1.433 513 I CB -0.816 37.227 38.000 0.070 0.000 1.082 513 I HN -0.109 nan 8.210 nan 0.000 0.432 514 c N 0.026 118.612 118.600 -0.022 0.000 2.432 514 c HA -0.072 4.507 4.570 0.015 0.000 0.280 514 c C 2.529 176.602 174.090 -0.027 0.000 1.353 514 c CA 1.251 57.552 56.329 -0.047 0.000 1.766 514 c CB -1.694 40.782 42.510 -0.057 0.000 1.924 514 c HN 0.707 nan 8.230 nan 0.000 0.509 515 T N -0.338 114.211 114.554 -0.008 0.000 3.134 515 T HA 0.363 4.722 4.350 0.015 0.000 0.260 515 T C 0.183 174.886 174.700 0.004 0.000 1.027 515 T CA -0.030 62.068 62.100 -0.003 0.000 0.913 515 T CB -0.292 68.578 68.868 0.002 0.000 1.046 515 T HN 0.317 nan 8.240 nan 0.000 0.553 516 L N 2.280 123.508 121.223 0.009 0.000 2.375 516 L HA 0.517 4.866 4.340 0.015 0.000 0.268 516 L C 0.610 177.485 176.870 0.007 0.000 1.058 516 L CA -0.932 53.918 54.840 0.017 0.000 0.803 516 L CB 1.514 43.594 42.059 0.034 0.000 1.212 516 L HN 0.255 nan 8.230 nan 0.000 0.451 517 S N 0.488 116.195 115.700 0.012 0.000 2.533 517 S HA 0.126 4.605 4.470 0.015 0.000 0.282 517 S C 1.180 175.783 174.600 0.005 0.000 1.304 517 S CA 0.057 58.260 58.200 0.006 0.000 1.063 517 S CB 1.392 64.599 63.200 0.012 0.000 0.881 517 S HN 0.770 nan 8.310 nan 0.000 0.493 518 E N 3.457 123.651 120.200 -0.011 0.000 2.200 518 E HA -0.289 4.070 4.350 0.015 0.000 0.211 518 E C 2.220 178.822 176.600 0.003 0.000 1.048 518 E CA 2.946 59.330 56.400 -0.026 0.000 0.851 518 E CB -2.012 27.661 29.700 -0.044 0.000 0.747 518 E HN 1.094 nan 8.360 nan 0.000 0.462 519 K N -0.327 120.086 120.400 0.022 0.000 2.032 519 K HA -0.006 4.324 4.320 0.015 0.000 0.209 519 K C 2.525 179.161 176.600 0.059 0.000 1.048 519 K CA 2.695 59.010 56.287 0.047 0.000 0.927 519 K CB -1.486 31.038 32.500 0.040 0.000 0.712 519 K HN 0.915 nan 8.250 nan 0.000 0.441 520 E N 0.388 120.617 120.200 0.048 0.000 2.152 520 E HA -0.103 4.256 4.350 0.015 0.000 0.192 520 E C 2.178 178.822 176.600 0.074 0.000 0.983 520 E CA 1.351 57.786 56.400 0.058 0.000 0.818 520 E CB -0.658 29.071 29.700 0.048 0.000 0.758 520 E HN 0.490 nan 8.360 nan 0.000 0.467 521 R N -0.305 120.231 120.500 0.061 0.000 2.092 521 R HA -0.107 4.242 4.340 0.015 0.000 0.231 521 R C 2.667 179.035 176.300 0.112 0.000 1.119 521 R CA 1.941 58.083 56.100 0.069 0.000 0.970 521 R CB -0.686 29.625 30.300 0.017 0.000 0.864 521 R HN 0.816 nan 8.270 nan 0.000 0.440 522 Q N -0.397 119.477 119.800 0.122 0.000 2.016 522 Q HA -0.060 4.289 4.340 0.015 0.000 0.200 522 Q C 2.228 178.364 176.000 0.226 0.000 0.978 522 Q CA 1.734 57.696 55.803 0.266 0.000 0.833 522 Q CB -0.255 28.683 28.738 0.333 0.000 0.895 522 Q HN 0.315 nan 8.270 nan 0.000 0.427 523 I N 1.527 122.187 120.570 0.150 0.000 2.151 523 I HA -0.298 3.881 4.170 0.015 0.000 0.243 523 I C 2.059 178.240 176.117 0.107 0.000 1.080 523 I CA 1.601 62.965 61.300 0.106 0.000 1.339 523 I CB -1.028 37.020 38.000 0.079 0.000 1.039 523 I HN 0.160 nan 8.210 nan 0.000 0.409 524 K N 0.777 121.254 120.400 0.129 0.000 1.991 524 K HA -0.206 4.123 4.320 0.015 0.000 0.212 524 K C 2.096 178.802 176.600 0.178 0.000 1.049 524 K CA 1.762 58.144 56.287 0.158 0.000 0.932 524 K CB -0.164 32.454 32.500 0.197 0.000 0.717 524 K HN 0.287 nan 8.250 nan 0.000 0.441 525 K N 0.657 121.169 120.400 0.186 0.000 2.057 525 K HA -0.193 4.136 4.320 0.015 0.000 0.207 525 K C 2.284 178.925 176.600 0.068 0.000 1.049 525 K CA 1.484 57.852 56.287 0.135 0.000 0.931 525 K CB -0.066 32.583 32.500 0.247 0.000 0.714 525 K HN 0.182 nan 8.250 nan 0.000 0.440 526 Q N 0.043 119.896 119.800 0.089 0.000 2.079 526 Q HA -0.105 4.244 4.340 0.015 0.000 0.200 526 Q C 2.022 178.029 176.000 0.011 0.000 0.974 526 Q CA 1.736 57.551 55.803 0.020 0.000 0.840 526 Q CB 0.016 28.759 28.738 0.009 0.000 0.898 526 Q HN 0.326 nan 8.270 nan 0.000 0.430 527 T N 0.653 115.224 114.554 0.028 0.000 2.708 527 T HA -0.184 4.175 4.350 0.015 0.000 0.266 527 T C 1.862 176.555 174.700 -0.011 0.000 1.037 527 T CA 1.267 63.370 62.100 0.005 0.000 1.146 527 T CB -0.344 68.529 68.868 0.007 0.000 0.865 527 T HN 0.393 nan 8.240 nan 0.000 0.435 528 A N 1.329 124.158 122.820 0.015 0.000 1.933 528 A HA -0.022 4.307 4.320 0.015 0.000 0.218 528 A C 2.234 179.881 177.584 0.104 0.000 1.175 528 A CA 1.206 53.253 52.037 0.017 0.000 0.628 528 A CB -0.773 18.322 19.000 0.160 0.000 0.814 528 A HN 0.387 nan 8.150 nan 0.000 0.444 529 L N -0.005 121.246 121.223 0.048 0.000 2.017 529 L HA -0.105 4.244 4.340 0.015 0.000 0.208 529 L C 2.412 179.317 176.870 0.059 0.000 1.073 529 L CA 1.904 56.772 54.840 0.047 0.000 0.745 529 L CB -0.805 41.245 42.059 -0.015 0.000 0.894 529 L HN 0.164 nan 8.230 nan 0.000 0.432 530 V N -0.006 119.921 119.914 0.022 0.000 2.233 530 V HA -0.277 3.852 4.120 0.015 0.000 0.247 530 V C 2.683 178.795 176.094 0.031 0.000 1.050 530 V CA 1.964 64.267 62.300 0.005 0.000 1.010 530 V CB -0.710 31.103 31.823 -0.017 0.000 0.637 530 V HN 0.452 nan 8.190 nan 0.000 0.444 531 E N -0.177 120.041 120.200 0.031 0.000 2.097 531 E HA -0.257 4.102 4.350 0.015 0.000 0.196 531 E C 2.103 178.887 176.600 0.307 0.000 1.000 531 E CA 1.446 57.875 56.400 0.048 0.000 0.804 531 E CB -0.573 29.061 29.700 -0.109 0.000 0.740 531 E HN 0.474 nan 8.360 nan 0.000 0.454 532 L N 0.785 122.278 121.223 0.450 0.000 2.012 532 L HA -0.158 4.192 4.340 0.015 0.000 0.210 532 L C 2.296 179.330 176.870 0.274 0.000 1.073 532 L CA 1.498 56.638 54.840 0.499 0.000 0.748 532 L CB -0.685 41.570 42.059 0.327 0.000 0.891 532 L HN -0.078 nan 8.230 nan 0.000 0.431 533 V N -0.337 119.666 119.914 0.148 0.000 2.594 533 V HA -0.253 3.876 4.120 0.015 0.000 0.253 533 V C 2.503 178.640 176.094 0.072 0.000 1.069 533 V CA 1.839 64.187 62.300 0.081 0.000 1.082 533 V CB -0.984 30.851 31.823 0.020 0.000 0.680 533 V HN 0.463 nan 8.190 nan 0.000 0.469 534 K N -0.981 119.444 120.400 0.043 0.000 2.288 534 K HA -0.064 4.265 4.320 0.015 0.000 0.201 534 K C 1.935 178.572 176.600 0.063 0.000 1.048 534 K CA 0.769 57.060 56.287 0.007 0.000 0.956 534 K CB -0.134 32.315 32.500 -0.085 0.000 0.746 534 K HN 0.561 nan 8.250 nan 0.000 0.461 535 H N -0.727 118.485 119.070 0.237 0.000 2.544 535 H HA 0.067 4.632 4.556 0.016 0.000 0.269 535 H C 0.159 175.592 175.328 0.174 0.000 0.970 535 H CA 0.593 56.787 56.048 0.244 0.000 1.219 535 H CB 0.832 30.802 29.762 0.346 0.000 1.421 535 H HN -0.188 nan 8.280 nan 0.000 0.555 536 K N 0.449 120.990 120.400 0.234 0.000 3.218 536 K HA 0.204 4.533 4.320 0.015 0.000 0.187 536 K C -2.660 174.002 176.600 0.104 0.000 1.186 536 K CA -0.894 55.479 56.287 0.144 0.000 0.827 536 K CB 0.999 33.558 32.500 0.098 0.000 1.083 536 K HN 0.053 nan 8.250 nan 0.000 0.583 537 P HA 0.079 nan 4.420 nan 0.000 0.242 537 P C 0.777 178.109 177.300 0.053 0.000 1.197 537 P CA 0.722 63.863 63.100 0.068 0.000 0.765 537 P CB 0.193 31.938 31.700 0.076 0.000 0.936 538 K N -0.779 119.656 120.400 0.058 0.000 2.397 538 K HA 0.581 4.910 4.320 0.015 0.000 0.202 538 K C 0.911 177.527 176.600 0.026 0.000 1.022 538 K CA 0.273 56.584 56.287 0.040 0.000 1.141 538 K CB -0.610 31.915 32.500 0.042 0.000 0.857 538 K HN 0.254 nan 8.250 nan 0.000 0.514 539 A N 1.330 124.165 122.820 0.026 0.000 2.388 539 A HA 0.533 4.862 4.320 0.015 0.000 0.257 539 A C 0.631 178.219 177.584 0.007 0.000 1.095 539 A CA -0.084 51.962 52.037 0.015 0.000 0.791 539 A CB -0.007 19.004 19.000 0.018 0.000 1.029 539 A HN 0.383 nan 8.150 nan 0.000 0.489 540 T N 1.528 116.084 114.554 0.003 0.000 2.766 540 T HA 0.454 4.813 4.350 0.015 0.000 0.295 540 T C 1.829 176.528 174.700 -0.002 0.000 1.024 540 T CA 0.141 62.240 62.100 -0.000 0.000 1.018 540 T CB 0.708 69.576 68.868 -0.000 0.000 1.002 540 T HN 0.866 nan 8.240 nan 0.000 0.532 541 K N 0.235 120.632 120.400 -0.005 0.000 2.288 541 K HA 0.132 4.461 4.320 0.015 0.000 0.201 541 K C 2.287 178.887 176.600 -0.001 0.000 1.048 541 K CA 1.570 57.853 56.287 -0.007 0.000 0.956 541 K CB -1.501 30.994 32.500 -0.009 0.000 0.746 541 K HN 0.811 nan 8.250 nan 0.000 0.461 542 E N 1.208 121.409 120.200 0.001 0.000 2.011 542 E HA -0.187 4.172 4.350 0.015 0.000 0.191 542 E C 2.193 178.795 176.600 0.003 0.000 0.980 542 E CA 1.195 57.597 56.400 0.003 0.000 0.814 542 E CB -0.828 28.873 29.700 0.002 0.000 0.775 542 E HN 0.777 nan 8.360 nan 0.000 0.454 543 Q N -0.575 119.225 119.800 -0.000 0.000 2.118 543 Q HA -0.193 4.156 4.340 0.015 0.000 0.211 543 Q C 2.325 178.326 176.000 0.001 0.000 0.998 543 Q CA 1.687 57.489 55.803 -0.003 0.000 0.872 543 Q CB -0.282 28.453 28.738 -0.006 0.000 0.925 543 Q HN 0.373 nan 8.270 nan 0.000 0.414 544 L N 0.552 121.777 121.223 0.004 0.000 2.056 544 L HA -0.162 4.187 4.340 0.015 0.000 0.207 544 L C 2.431 179.310 176.870 0.016 0.000 1.078 544 L CA 1.644 56.488 54.840 0.008 0.000 0.749 544 L CB -0.962 41.099 42.059 0.003 0.000 0.901 544 L HN -0.011 nan 8.230 nan 0.000 0.433 545 K N -0.621 119.789 120.400 0.015 0.000 2.009 545 K HA -0.175 4.154 4.320 0.015 0.000 0.210 545 K C 2.224 178.845 176.600 0.035 0.000 1.049 545 K CA 1.202 57.504 56.287 0.025 0.000 0.929 545 K CB -0.828 31.684 32.500 0.020 0.000 0.714 545 K HN 0.513 nan 8.250 nan 0.000 0.440 546 A N 0.356 123.192 122.820 0.027 0.000 1.852 546 A HA -0.185 4.144 4.320 0.015 0.000 0.217 546 A C 2.395 180.006 177.584 0.044 0.000 1.215 546 A CA 2.599 54.653 52.037 0.029 0.000 0.641 546 A CB -1.262 17.747 19.000 0.015 0.000 0.838 546 A HN 0.353 nan 8.150 nan 0.000 0.450 547 V N -0.336 119.598 119.914 0.035 0.000 2.370 547 V HA -0.383 3.746 4.120 0.015 0.000 0.252 547 V C 2.632 178.784 176.094 0.096 0.000 1.068 547 V CA 2.509 64.838 62.300 0.047 0.000 1.061 547 V CB -0.741 31.093 31.823 0.017 0.000 0.656 547 V HN 0.583 nan 8.190 nan 0.000 0.455 548 M N -0.282 119.369 119.600 0.085 0.000 2.254 548 M HA -0.120 4.369 4.480 0.015 0.000 0.265 548 M C 2.121 178.525 176.300 0.172 0.000 1.066 548 M CA 2.027 57.400 55.300 0.122 0.000 1.123 548 M CB -0.713 31.936 32.600 0.081 0.000 1.388 548 M HN 0.665 nan 8.290 nan 0.000 0.425 549 D N 0.101 120.574 120.400 0.121 0.000 2.091 549 D HA -0.177 4.472 4.640 0.015 0.000 0.199 549 D C 1.513 177.886 176.300 0.122 0.000 0.980 549 D CA 1.510 55.574 54.000 0.107 0.000 0.831 549 D CB -0.708 40.133 40.800 0.068 0.000 0.987 549 D HN 0.312 nan 8.370 nan 0.000 0.460 550 D N -0.756 119.714 120.400 0.116 0.000 2.149 550 D HA -0.117 4.532 4.640 0.015 0.000 0.194 550 D C 1.619 178.028 176.300 0.183 0.000 1.001 550 D CA 0.965 55.033 54.000 0.113 0.000 0.849 550 D CB -0.631 40.216 40.800 0.078 0.000 0.939 550 D HN 0.550 nan 8.370 nan 0.000 0.449 551 F N 0.836 120.841 119.950 0.091 0.000 2.325 551 F HA 0.004 4.541 4.527 0.016 0.000 0.299 551 F C 2.051 177.949 175.800 0.163 0.000 1.090 551 F CA 1.090 59.194 58.000 0.174 0.000 1.392 551 F CB 0.026 39.075 39.000 0.081 0.000 1.053 551 F HN -0.069 nan 8.300 nan 0.000 0.521 552 A N 0.732 123.634 122.820 0.137 0.000 1.840 552 A HA 0.009 4.338 4.320 0.015 0.000 0.214 552 A C 2.468 179.990 177.584 -0.103 0.000 1.198 552 A CA 1.583 53.618 52.037 -0.003 0.000 0.608 552 A CB -1.603 17.451 19.000 0.089 0.000 0.839 552 A HN 0.462 nan 8.150 nan 0.000 0.443 553 A N -0.505 122.306 122.820 -0.015 0.000 1.873 553 A HA -0.151 4.178 4.320 0.015 0.000 0.218 553 A C 2.077 179.629 177.584 -0.053 0.000 1.193 553 A CA 2.011 54.035 52.037 -0.022 0.000 0.629 553 A CB -1.030 17.985 19.000 0.025 0.000 0.826 553 A HN 1.003 nan 8.150 nan 0.000 0.447 554 F N 0.954 120.800 119.950 -0.174 0.000 2.087 554 F HA -0.226 4.310 4.527 0.015 0.000 0.299 554 F C 2.105 177.738 175.800 -0.279 0.000 1.100 554 F CA 2.152 60.030 58.000 -0.203 0.000 1.226 554 F CB -0.864 38.010 39.000 -0.211 0.000 0.983 554 F HN 0.032 nan 8.300 nan 0.000 0.479 555 V N 0.872 120.236 119.914 -0.918 0.000 2.233 555 V HA -0.304 3.825 4.120 0.015 0.000 0.247 555 V C 2.910 178.694 176.094 -0.518 0.000 1.050 555 V CA 2.883 64.614 62.300 -0.950 0.000 1.010 555 V CB -1.634 29.719 31.823 -0.784 0.000 0.637 555 V HN 0.591 nan 8.190 nan 0.000 0.444 556 E N -0.501 119.500 120.200 -0.330 0.000 2.085 556 E HA -0.292 4.067 4.350 0.015 0.000 0.194 556 E C 2.282 178.776 176.600 -0.177 0.000 0.994 556 E CA 1.705 57.981 56.400 -0.205 0.000 0.801 556 E CB -0.679 28.939 29.700 -0.138 0.000 0.743 556 E HN 0.435 nan 8.360 nan 0.000 0.453 557 K N -1.078 119.219 120.400 -0.172 0.000 2.616 557 K HA 0.074 4.403 4.320 0.015 0.000 0.192 557 K C 1.229 177.759 176.600 -0.116 0.000 1.031 557 K CA 0.814 57.038 56.287 -0.105 0.000 1.004 557 K CB -1.511 30.965 32.500 -0.040 0.000 0.810 557 K HN 0.722 nan 8.250 nan 0.000 0.497 558 c N -2.620 115.858 118.600 -0.203 0.000 3.919 558 c HA 0.320 4.899 4.570 0.015 0.000 0.422 558 c C 1.702 175.703 174.090 -0.148 0.000 1.533 558 c CA -0.420 55.806 56.329 -0.171 0.000 2.014 558 c CB -0.253 42.095 42.510 -0.270 0.000 2.967 558 c HN 0.668 nan 8.230 nan 0.000 0.692 559 c N 1.112 119.607 118.600 -0.175 0.000 2.559 559 c HA 0.146 4.725 4.570 0.015 0.000 0.300 559 c C 1.812 175.848 174.090 -0.090 0.000 1.288 559 c CA 0.619 56.871 56.329 -0.128 0.000 1.699 559 c CB -1.684 40.736 42.510 -0.150 0.000 1.819 559 c HN 0.529 nan 8.230 nan 0.000 0.600 560 K N -0.703 119.648 120.400 -0.080 0.000 2.586 560 K HA 0.554 4.883 4.320 0.015 0.000 0.198 560 K C 0.494 177.070 176.600 -0.041 0.000 1.170 560 K CA 0.600 56.854 56.287 -0.056 0.000 1.069 560 K CB 0.330 32.795 32.500 -0.058 0.000 0.944 560 K HN 0.525 nan 8.250 nan 0.000 0.572 561 A N 0.250 123.046 122.820 -0.040 0.000 3.538 561 A HA 0.829 5.158 4.320 0.015 0.000 0.174 561 A C 0.122 177.697 177.584 -0.014 0.000 1.733 561 A CA 0.563 52.586 52.037 -0.023 0.000 0.888 561 A CB 0.380 19.369 19.000 -0.018 0.000 1.804 561 A HN 0.602 nan 8.150 nan 0.000 0.626 562 D N -4.109 116.289 120.400 -0.004 0.000 2.706 562 D HA 0.542 5.191 4.640 0.015 0.000 0.227 562 D C -0.188 176.118 176.300 0.009 0.000 1.233 562 D CA 0.763 54.764 54.000 0.001 0.000 0.768 562 D CB 0.078 40.877 40.800 -0.000 0.000 1.490 562 D HN 2.178 nan 8.370 nan 0.000 0.458 563 D N -1.949 118.458 120.400 0.013 0.000 2.870 563 D HA 0.110 4.759 4.640 0.015 0.000 0.228 563 D C 1.336 177.652 176.300 0.027 0.000 1.147 563 D CA 2.522 56.534 54.000 0.020 0.000 0.757 563 D CB -2.503 38.308 40.800 0.019 0.000 1.091 563 D HN 1.625 nan 8.370 nan 0.000 0.429 564 K N -1.441 118.972 120.400 0.023 0.000 2.365 564 K HA 0.443 4.772 4.320 0.015 0.000 0.199 564 K C 2.495 179.123 176.600 0.047 0.000 1.045 564 K CA 2.206 58.507 56.287 0.024 0.000 0.962 564 K CB -0.967 31.535 32.500 0.002 0.000 0.759 564 K HN 1.618 nan 8.250 nan 0.000 0.469 565 E N 0.599 120.832 120.200 0.056 0.000 2.204 565 E HA -0.105 4.254 4.350 0.015 0.000 0.194 565 E C 2.231 178.893 176.600 0.103 0.000 0.989 565 E CA 1.645 58.098 56.400 0.088 0.000 0.824 565 E CB -1.124 28.619 29.700 0.073 0.000 0.756 565 E HN 0.647 nan 8.360 nan 0.000 0.477 566 T N -0.501 114.100 114.554 0.078 0.000 2.857 566 T HA -0.111 4.248 4.350 0.015 0.000 0.266 566 T C 2.099 176.857 174.700 0.097 0.000 1.048 566 T CA 0.890 63.037 62.100 0.079 0.000 1.139 566 T CB -0.684 68.218 68.868 0.056 0.000 0.874 566 T HN 0.649 nan 8.240 nan 0.000 0.455 567 c N 1.069 119.724 118.600 0.092 0.000 2.413 567 c HA -0.082 4.497 4.570 0.015 0.000 0.278 567 c C 2.895 177.112 174.090 0.212 0.000 1.224 567 c CA 1.306 57.706 56.329 0.118 0.000 1.732 567 c CB -1.626 40.922 42.510 0.065 0.000 2.050 567 c HN 0.608 nan 8.230 nan 0.000 0.463 568 F N 0.539 120.610 119.950 0.202 0.000 2.091 568 F HA 0.051 4.587 4.527 0.015 0.000 0.299 568 F C 2.501 178.476 175.800 0.291 0.000 1.103 568 F CA 2.514 60.704 58.000 0.318 0.000 1.228 568 F CB -1.654 37.477 39.000 0.219 0.000 0.984 568 F HN 0.568 nan 8.300 nan 0.000 0.477 569 A N -0.233 122.700 122.820 0.190 0.000 1.840 569 A HA 0.145 4.474 4.320 0.015 0.000 0.214 569 A C 2.138 179.788 177.584 0.110 0.000 1.198 569 A CA 2.665 54.785 52.037 0.138 0.000 0.608 569 A CB -1.599 17.475 19.000 0.124 0.000 0.839 569 A HN 0.986 nan 8.150 nan 0.000 0.443 570 E N -0.242 120.021 120.200 0.105 0.000 2.028 570 E HA -0.196 4.163 4.350 0.015 0.000 0.191 570 E C 1.890 178.533 176.600 0.071 0.000 0.988 570 E CA 1.528 57.974 56.400 0.077 0.000 0.799 570 E CB -0.623 29.119 29.700 0.069 0.000 0.755 570 E HN 0.577 nan 8.360 nan 0.000 0.447 571 E N 0.042 120.310 120.200 0.115 0.000 2.107 571 E HA -0.031 4.329 4.350 0.015 0.000 0.191 571 E C 2.445 179.001 176.600 -0.073 0.000 0.982 571 E CA 0.970 57.423 56.400 0.088 0.000 0.809 571 E CB -0.609 29.241 29.700 0.250 0.000 0.756 571 E HN 0.525 nan 8.360 nan 0.000 0.459 572 G N 1.238 110.025 108.800 -0.020 0.000 2.422 572 G HA2 -0.289 3.681 3.960 0.015 0.000 0.218 572 G HA3 -0.289 3.681 3.960 0.015 0.000 0.218 572 G C 1.907 176.760 174.900 -0.079 0.000 1.146 572 G CA 0.943 45.944 45.100 -0.165 0.000 0.769 572 G HN 0.182 nan 8.290 nan 0.000 0.547 573 K N 0.133 120.528 120.400 -0.008 0.000 2.097 573 K HA 0.027 4.356 4.320 0.015 0.000 0.206 573 K C 2.487 179.077 176.600 -0.018 0.000 1.049 573 K CA 1.427 57.718 56.287 0.006 0.000 0.933 573 K CB -0.316 32.198 32.500 0.022 0.000 0.717 573 K HN 0.466 nan 8.250 nan 0.000 0.442 574 K N -0.233 120.143 120.400 -0.041 0.000 2.103 574 K HA 0.014 4.343 4.320 0.015 0.000 0.204 574 K C 2.132 178.688 176.600 -0.073 0.000 1.052 574 K CA 1.045 57.304 56.287 -0.046 0.000 0.945 574 K CB -0.191 32.286 32.500 -0.039 0.000 0.722 574 K HN 0.059 nan 8.250 nan 0.000 0.443 575 L N 0.600 121.740 121.223 -0.138 0.000 1.961 575 L HA -0.161 4.188 4.340 0.015 0.000 0.209 575 L C 2.013 178.845 176.870 -0.063 0.000 1.075 575 L CA 1.438 56.190 54.840 -0.148 0.000 0.749 575 L CB -0.637 41.222 42.059 -0.333 0.000 0.890 575 L HN -0.121 nan 8.230 nan 0.000 0.433 576 V N 0.299 120.201 119.914 -0.019 0.000 2.428 576 V HA -0.388 3.741 4.120 0.015 0.000 0.255 576 V C 2.641 178.750 176.094 0.024 0.000 1.080 576 V CA 1.833 64.165 62.300 0.054 0.000 1.083 576 V CB -1.295 30.599 31.823 0.117 0.000 0.665 576 V HN 0.656 nan 8.190 nan 0.000 0.461 577 A N -0.558 122.257 122.820 -0.008 0.000 1.855 577 A HA 0.073 4.402 4.320 0.015 0.000 0.213 577 A C 2.411 179.956 177.584 -0.064 0.000 1.195 577 A CA 1.577 53.594 52.037 -0.032 0.000 0.610 577 A CB -0.766 18.222 19.000 -0.020 0.000 0.837 577 A HN 0.555 nan 8.150 nan 0.000 0.444 578 A N -0.541 122.246 122.820 -0.056 0.000 1.933 578 A HA -0.049 4.280 4.320 0.015 0.000 0.218 578 A C 2.432 179.973 177.584 -0.071 0.000 1.175 578 A CA 2.066 54.069 52.037 -0.057 0.000 0.628 578 A CB -0.809 18.165 19.000 -0.044 0.000 0.814 578 A HN 0.427 nan 8.150 nan 0.000 0.444 579 S N -0.742 114.913 115.700 -0.075 0.000 2.348 579 S HA -0.174 4.305 4.470 0.015 0.000 0.221 579 S C 2.207 176.713 174.600 -0.157 0.000 1.033 579 S CA 1.417 59.562 58.200 -0.091 0.000 1.010 579 S CB -0.414 62.740 63.200 -0.076 0.000 0.891 579 S HN 0.663 nan 8.310 nan 0.000 0.442 580 Q N 0.424 120.085 119.800 -0.232 0.000 2.197 580 Q HA -0.198 4.151 4.340 0.015 0.000 0.211 580 Q C 2.509 178.348 176.000 -0.267 0.000 0.993 580 Q CA 1.396 56.956 55.803 -0.405 0.000 0.883 580 Q CB -1.017 27.433 28.738 -0.479 0.000 0.916 580 Q HN 0.747 nan 8.270 nan 0.000 0.418 581 A N -0.042 122.674 122.820 -0.173 0.000 1.897 581 A HA 0.149 4.478 4.320 0.015 0.000 0.215 581 A C 2.400 179.925 177.584 -0.097 0.000 1.181 581 A CA 1.603 53.567 52.037 -0.122 0.000 0.620 581 A CB -0.920 18.027 19.000 -0.088 0.000 0.821 581 A HN 0.586 nan 8.150 nan 0.000 0.443 582 A N 0.076 122.843 122.820 -0.088 0.000 1.877 582 A HA -0.044 4.285 4.320 0.015 0.000 0.216 582 A C 1.919 179.464 177.584 -0.065 0.000 1.186 582 A CA 1.510 53.509 52.037 -0.063 0.000 0.620 582 A CB -0.636 18.334 19.000 -0.050 0.000 0.822 582 A HN 0.478 nan 8.150 nan 0.000 0.443 583 L N -0.367 120.804 121.223 -0.087 0.000 2.599 583 L HA 0.223 4.572 4.340 0.015 0.000 0.230 583 L C 1.430 178.250 176.870 -0.083 0.000 1.141 583 L CA 0.008 54.803 54.840 -0.075 0.000 0.877 583 L CB -1.540 40.471 42.059 -0.081 0.000 1.009 583 L HN 0.600 nan 8.230 nan 0.000 0.447 584 G N 0.000 108.741 108.800 -0.098 0.000 5.446 584 G HA2 0.000 3.969 3.960 0.015 0.000 0.244 584 G HA3 0.000 3.969 3.960 0.015 0.000 0.244 584 G CA 0.000 45.045 45.100 -0.092 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925