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 1h9z_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 LGL 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 0.000 175.342 175.328 0.023 0.000 0.993 3 H CA 0.000 56.061 56.048 0.022 0.000 1.023 3 H CB 0.000 29.821 29.762 0.098 0.000 1.292 4 K N 0.073 120.494 120.400 0.035 0.000 2.361 4 K HA 0.210 4.534 4.320 0.008 0.000 0.196 4 K C 0.289 176.912 176.600 0.038 0.000 1.039 4 K CA 1.368 57.674 56.287 0.031 0.000 1.001 4 K CB 0.112 32.627 32.500 0.026 0.000 0.795 4 K HN 0.490 nan 8.250 nan 0.000 0.495 5 S N 0.349 116.077 115.700 0.046 0.000 2.733 5 S HA 0.190 4.664 4.470 0.008 0.000 0.294 5 S C 0.082 174.731 174.600 0.082 0.000 1.149 5 S CA -0.730 57.500 58.200 0.051 0.000 1.034 5 S CB 1.518 64.724 63.200 0.011 0.000 1.015 5 S HN 0.218 nan 8.310 nan 0.000 0.486 6 E N 2.278 122.532 120.200 0.091 0.000 2.031 6 E HA -0.138 4.216 4.350 0.008 0.000 0.193 6 E C 2.069 178.768 176.600 0.165 0.000 0.994 6 E CA 1.808 58.275 56.400 0.111 0.000 0.800 6 E CB -0.185 29.574 29.700 0.098 0.000 0.752 6 E HN 0.730 nan 8.360 nan 0.000 0.447 7 V N 0.482 120.494 119.914 0.163 0.000 2.282 7 V HA -0.287 3.837 4.120 0.008 0.000 0.249 7 V C 2.425 178.589 176.094 0.117 0.000 1.057 7 V CA 1.890 64.310 62.300 0.199 0.000 1.032 7 V CB -1.420 30.504 31.823 0.168 0.000 0.645 7 V HN 0.243 nan 8.190 nan 0.000 0.447 8 A N 0.084 122.914 122.820 0.017 0.000 1.873 8 A HA -0.344 3.981 4.320 0.008 0.000 0.218 8 A C 2.374 180.008 177.584 0.083 0.000 1.193 8 A CA 2.377 54.400 52.037 -0.024 0.000 0.629 8 A CB -1.230 17.741 19.000 -0.049 0.000 0.826 8 A HN 0.788 nan 8.150 nan 0.000 0.447 9 H N -0.138 118.958 119.070 0.044 0.000 2.319 9 H HA -0.102 4.458 4.556 0.007 0.000 0.299 9 H C 2.237 177.617 175.328 0.087 0.000 1.092 9 H CA 1.932 58.015 56.048 0.058 0.000 1.302 9 H CB -0.050 29.743 29.762 0.051 0.000 1.373 9 H HN 0.316 nan 8.280 nan 0.000 0.497 10 R N -0.244 120.432 120.500 0.293 0.000 2.096 10 R HA -0.136 4.208 4.340 0.008 0.000 0.235 10 R C 2.446 178.867 176.300 0.201 0.000 1.127 10 R CA 0.857 57.120 56.100 0.271 0.000 0.968 10 R CB -1.324 29.173 30.300 0.327 0.000 0.861 10 R HN 0.333 nan 8.270 nan 0.000 0.440 11 F N 2.212 122.138 119.950 -0.040 0.000 2.102 11 F HA -0.181 4.351 4.527 0.008 0.000 0.298 11 F C 2.204 177.904 175.800 -0.167 0.000 1.105 11 F CA 1.609 59.428 58.000 -0.303 0.000 1.239 11 F CB 0.036 38.692 39.000 -0.574 0.000 0.991 11 F HN -0.110 nan 8.300 nan 0.000 0.474 12 K N -0.063 120.386 120.400 0.081 0.000 1.973 12 K HA -0.208 4.116 4.320 0.008 0.000 0.212 12 K C 1.067 177.609 176.600 -0.097 0.000 1.047 12 K CA 1.864 58.145 56.287 -0.010 0.000 0.937 12 K CB -0.684 31.779 32.500 -0.060 0.000 0.721 12 K HN 0.398 nan 8.250 nan 0.000 0.440 13 D N 0.002 120.322 120.400 -0.134 0.000 2.504 13 D HA -0.004 4.640 4.640 0.008 0.000 0.243 13 D C 0.838 177.113 176.300 -0.043 0.000 1.203 13 D CA 0.189 54.132 54.000 -0.095 0.000 0.847 13 D CB 0.358 41.090 40.800 -0.114 0.000 0.973 13 D HN 0.000 nan 8.370 nan 0.000 0.490 14 L N -0.361 120.822 121.223 -0.066 0.000 2.746 14 L HA 0.473 4.817 4.340 0.008 0.000 0.230 14 L C 0.754 177.562 176.870 -0.103 0.000 1.034 14 L CA 1.307 56.123 54.840 -0.041 0.000 0.922 14 L CB 0.488 42.565 42.059 0.030 0.000 1.496 14 L HN 0.363 nan 8.230 nan 0.000 0.498 15 G N 0.309 108.962 108.800 -0.245 0.000 2.784 15 G HA2 -0.169 3.796 3.960 0.008 0.000 0.686 15 G HA3 -0.169 3.796 3.960 0.008 0.000 0.686 15 G C 0.269 174.904 174.900 -0.441 0.000 1.156 15 G CA 0.092 45.019 45.100 -0.288 0.000 0.757 15 G HN 0.234 nan 8.290 nan 0.000 0.642 16 E N 0.093 119.998 120.200 -0.492 0.000 2.058 16 E HA -0.185 4.170 4.350 0.008 0.000 0.194 16 E C 2.124 178.686 176.600 -0.063 0.000 0.997 16 E CA 1.743 57.914 56.400 -0.382 0.000 0.801 16 E CB 0.002 29.674 29.700 -0.048 0.000 0.746 16 E HN 0.560 nan 8.360 nan 0.000 0.450 17 E N 0.629 120.812 120.200 -0.028 0.000 2.051 17 E HA -0.174 4.180 4.350 0.008 0.000 0.192 17 E C 1.893 178.517 176.600 0.039 0.000 0.991 17 E CA 0.849 57.267 56.400 0.030 0.000 0.799 17 E CB -0.428 29.289 29.700 0.028 0.000 0.748 17 E HN 0.325 nan 8.360 nan 0.000 0.449 18 N N 0.483 119.191 118.700 0.013 0.000 2.142 18 N HA -0.129 4.616 4.740 0.008 0.000 0.186 18 N C 1.777 177.309 175.510 0.036 0.000 1.023 18 N CA 0.571 53.633 53.050 0.020 0.000 0.852 18 N CB -0.589 37.901 38.487 0.006 0.000 0.998 18 N HN 0.110 nan 8.380 nan 0.000 0.424 19 F N 2.366 122.237 119.950 -0.131 0.000 2.091 19 F HA -0.189 4.342 4.527 0.008 0.000 0.299 19 F C 2.087 177.886 175.800 -0.001 0.000 1.103 19 F CA 1.623 59.562 58.000 -0.101 0.000 1.228 19 F CB 0.004 38.858 39.000 -0.243 0.000 0.984 19 F HN -0.057 nan 8.300 nan 0.000 0.477 20 K N -0.128 120.387 120.400 0.191 0.000 2.148 20 K HA -0.071 4.253 4.320 0.008 0.000 0.204 20 K C 2.250 178.877 176.600 0.045 0.000 1.050 20 K CA 0.993 57.364 56.287 0.139 0.000 0.942 20 K CB -0.434 32.180 32.500 0.189 0.000 0.724 20 K HN 0.359 nan 8.250 nan 0.000 0.446 21 A N 1.448 124.288 122.820 0.033 0.000 1.872 21 A HA -0.071 4.253 4.320 0.008 0.000 0.214 21 A C 2.121 179.693 177.584 -0.020 0.000 1.187 21 A CA 0.993 53.047 52.037 0.029 0.000 0.614 21 A CB -0.534 18.490 19.000 0.040 0.000 0.826 21 A HN 0.113 nan 8.150 nan 0.000 0.442 22 L N -0.478 120.695 121.223 -0.084 0.000 2.017 22 L HA -0.159 4.185 4.340 0.008 0.000 0.208 22 L C 2.528 179.289 176.870 -0.182 0.000 1.073 22 L CA 1.076 55.830 54.840 -0.142 0.000 0.745 22 L CB -0.614 41.330 42.059 -0.192 0.000 0.894 22 L HN 0.231 nan 8.230 nan 0.000 0.432 23 V N 0.043 119.812 119.914 -0.242 0.000 2.332 23 V HA -0.305 3.819 4.120 0.008 0.000 0.248 23 V C 2.409 178.523 176.094 0.032 0.000 1.055 23 V CA 1.808 63.993 62.300 -0.192 0.000 1.038 23 V CB -0.429 31.284 31.823 -0.183 0.000 0.651 23 V HN 0.336 nan 8.190 nan 0.000 0.450 24 L N 0.094 121.356 121.223 0.065 0.000 1.989 24 L HA -0.160 4.184 4.340 0.008 0.000 0.211 24 L C 2.203 179.114 176.870 0.069 0.000 1.071 24 L CA 1.989 56.901 54.840 0.121 0.000 0.749 24 L CB -0.557 41.566 42.059 0.107 0.000 0.890 24 L HN 0.227 nan 8.230 nan 0.000 0.431 25 I N -0.135 120.445 120.570 0.017 0.000 2.151 25 I HA -0.365 3.809 4.170 0.008 0.000 0.243 25 I C 2.634 178.737 176.117 -0.023 0.000 1.080 25 I CA 1.437 62.733 61.300 -0.008 0.000 1.339 25 I CB -0.760 37.224 38.000 -0.027 0.000 1.039 25 I HN 0.428 nan 8.210 nan 0.000 0.409 26 A N 0.559 123.333 122.820 -0.077 0.000 1.883 26 A HA -0.214 4.111 4.320 0.008 0.000 0.217 26 A C 2.101 179.749 177.584 0.107 0.000 1.186 26 A CA 1.691 53.668 52.037 -0.101 0.000 0.624 26 A CB -0.941 17.819 19.000 -0.401 0.000 0.822 26 A HN 0.331 nan 8.150 nan 0.000 0.444 27 F N -0.008 120.049 119.950 0.178 0.000 2.163 27 F HA 0.016 4.547 4.527 0.008 0.000 0.297 27 F C 2.786 178.600 175.800 0.023 0.000 1.094 27 F CA 0.638 58.755 58.000 0.195 0.000 1.290 27 F CB -0.703 38.399 39.000 0.170 0.000 1.017 27 F HN 0.249 nan 8.300 nan 0.000 0.483 28 A N -0.544 122.246 122.820 -0.050 0.000 1.972 28 A HA -0.212 4.112 4.320 0.008 0.000 0.219 28 A C 2.078 179.662 177.584 0.001 0.000 1.169 28 A CA 1.478 53.417 52.037 -0.163 0.000 0.635 28 A CB -0.702 18.236 19.000 -0.104 0.000 0.810 28 A HN 0.480 nan 8.150 nan 0.000 0.446 29 Q N -2.262 117.544 119.800 0.010 0.000 2.311 29 Q HA -0.093 4.252 4.340 0.008 0.000 0.203 29 Q C 1.393 177.290 176.000 -0.172 0.000 0.954 29 Q CA 1.246 56.980 55.803 -0.116 0.000 0.885 29 Q CB -0.104 28.511 28.738 -0.205 0.000 0.963 29 Q HN 0.886 nan 8.270 nan 0.000 0.471 30 Y N -0.716 119.596 120.300 0.021 0.000 2.314 30 Y HA 0.026 4.581 4.550 0.008 0.000 0.294 30 Y C 0.687 176.560 175.900 -0.046 0.000 1.139 30 Y CA 0.024 58.127 58.100 0.006 0.000 1.162 30 Y CB 0.594 39.074 38.460 0.034 0.000 1.121 30 Y HN -0.023 nan 8.280 nan 0.000 0.529 31 L N 2.020 123.376 121.223 0.221 0.000 2.536 31 L HA 0.162 4.507 4.340 0.008 0.000 0.242 31 L C 0.839 177.932 176.870 0.372 0.000 1.280 31 L CA 0.261 55.190 54.840 0.148 0.000 1.221 31 L CB -0.316 41.911 42.059 0.280 0.000 1.449 31 L HN 0.314 nan 8.230 nan 0.000 0.405 32 Q N -0.635 119.323 119.800 0.262 0.000 2.439 32 Q HA -0.135 4.210 4.340 0.008 0.000 0.211 32 Q C 1.140 177.309 176.000 0.282 0.000 0.978 32 Q CA 0.870 56.806 55.803 0.222 0.000 0.897 32 Q CB 0.232 29.034 28.738 0.107 0.000 0.956 32 Q HN 0.552 nan 8.270 nan 0.000 0.483 33 Q N -0.753 119.304 119.800 0.429 0.000 2.378 33 Q HA 0.069 4.413 4.340 0.008 0.000 0.216 33 Q C 0.474 176.611 176.000 0.229 0.000 0.892 33 Q CA 0.162 56.122 55.803 0.261 0.000 0.931 33 Q CB 0.526 29.302 28.738 0.064 0.000 1.086 33 Q HN 0.311 nan 8.270 nan 0.000 0.528 34 C N 3.885 123.376 119.300 0.319 0.000 2.652 34 C HA 0.246 4.711 4.460 0.008 0.000 0.412 34 C C -1.649 173.433 174.990 0.154 0.000 1.294 34 C CA -0.973 58.115 59.018 0.116 0.000 2.127 34 C CB 0.383 28.061 27.740 -0.104 0.000 2.691 34 C HN 0.276 nan 8.230 nan 0.000 0.615 35 P HA 0.058 nan 4.420 nan 0.000 0.274 35 P C 0.578 177.819 177.300 -0.099 0.000 1.237 35 P CA -0.112 63.027 63.100 0.065 0.000 0.793 35 P CB 0.453 32.158 31.700 0.007 0.000 0.977 36 F N 2.392 122.093 119.950 -0.414 0.000 2.063 36 F HA -0.271 4.261 4.527 0.008 0.000 0.298 36 F C 1.855 177.450 175.800 -0.341 0.000 1.109 36 F CA 2.198 59.768 58.000 -0.717 0.000 1.212 36 F CB -0.908 37.695 39.000 -0.662 0.000 0.973 36 F HN 0.279 nan 8.300 nan 0.000 0.480 37 E N 0.275 120.286 120.200 -0.314 0.000 2.130 37 E HA -0.232 4.122 4.350 0.008 0.000 0.196 37 E C 1.771 178.172 176.600 -0.331 0.000 0.998 37 E CA 1.735 57.938 56.400 -0.327 0.000 0.806 37 E CB -0.677 28.939 29.700 -0.141 0.000 0.738 37 E HN 0.475 nan 8.360 nan 0.000 0.459 38 D N -0.616 119.599 120.400 -0.308 0.000 2.117 38 D HA -0.105 4.540 4.640 0.008 0.000 0.198 38 D C 1.746 177.829 176.300 -0.361 0.000 0.982 38 D CA 0.967 54.778 54.000 -0.316 0.000 0.828 38 D CB -0.147 40.457 40.800 -0.328 0.000 0.967 38 D HN 0.286 nan 8.370 nan 0.000 0.464 39 H N -0.137 118.755 119.070 -0.297 0.000 2.389 39 H HA 0.003 4.563 4.556 0.008 0.000 0.299 39 H C 2.259 177.407 175.328 -0.300 0.000 1.081 39 H CA 0.607 56.496 56.048 -0.264 0.000 1.345 39 H CB -0.339 29.327 29.762 -0.161 0.000 1.393 39 H HN 0.031 nan 8.280 nan 0.000 0.520 40 V N 1.215 120.926 119.914 -0.338 0.000 2.392 40 V HA -0.232 3.892 4.120 0.008 0.000 0.249 40 V C 2.580 178.564 176.094 -0.182 0.000 1.059 40 V CA 1.651 63.761 62.300 -0.316 0.000 1.051 40 V CB -0.363 31.164 31.823 -0.494 0.000 0.658 40 V HN 0.309 nan 8.190 nan 0.000 0.455 41 K N -0.208 120.074 120.400 -0.198 0.000 2.025 41 K HA -0.114 4.210 4.320 0.008 0.000 0.207 41 K C 2.171 178.695 176.600 -0.127 0.000 1.049 41 K CA 1.388 57.587 56.287 -0.145 0.000 0.933 41 K CB -0.212 32.195 32.500 -0.156 0.000 0.714 41 K HN 0.367 nan 8.250 nan 0.000 0.438 42 L N 0.545 121.652 121.223 -0.192 0.000 2.042 42 L HA -0.232 4.113 4.340 0.008 0.000 0.210 42 L C 2.374 179.200 176.870 -0.074 0.000 1.076 42 L CA 0.997 55.688 54.840 -0.247 0.000 0.749 42 L CB -0.492 41.212 42.059 -0.592 0.000 0.893 42 L HN 0.032 nan 8.230 nan 0.000 0.432 43 V N 0.172 120.084 119.914 -0.004 0.000 2.233 43 V HA -0.321 3.804 4.120 0.008 0.000 0.247 43 V C 2.291 178.466 176.094 0.136 0.000 1.050 43 V CA 2.113 64.486 62.300 0.122 0.000 1.010 43 V CB -0.738 31.142 31.823 0.095 0.000 0.637 43 V HN 0.506 nan 8.190 nan 0.000 0.444 44 N N 0.178 118.920 118.700 0.069 0.000 2.061 44 N HA -0.219 4.525 4.740 0.008 0.000 0.193 44 N C 1.830 177.400 175.510 0.101 0.000 1.030 44 N CA 1.840 54.937 53.050 0.079 0.000 0.856 44 N CB -0.407 38.095 38.487 0.025 0.000 1.023 44 N HN 0.621 nan 8.380 nan 0.000 0.424 45 E N 0.187 120.426 120.200 0.066 0.000 2.110 45 E HA -0.095 4.259 4.350 0.008 0.000 0.193 45 E C 1.951 178.653 176.600 0.171 0.000 0.988 45 E CA 0.844 57.290 56.400 0.077 0.000 0.804 45 E CB 0.072 29.776 29.700 0.007 0.000 0.745 45 E HN 0.103 nan 8.360 nan 0.000 0.458 46 V N 0.837 120.888 119.914 0.229 0.000 2.453 46 V HA -0.188 3.937 4.120 0.008 0.000 0.247 46 V C 2.219 178.597 176.094 0.474 0.000 1.048 46 V CA 1.865 64.394 62.300 0.381 0.000 1.049 46 V CB -0.478 31.598 31.823 0.422 0.000 0.672 46 V HN 0.310 nan 8.190 nan 0.000 0.457 47 T N -0.555 114.253 114.554 0.424 0.000 2.708 47 T HA -0.157 4.197 4.350 0.008 0.000 0.266 47 T C 1.923 176.711 174.700 0.147 0.000 1.037 47 T CA 1.312 63.656 62.100 0.407 0.000 1.146 47 T CB -0.209 68.885 68.868 0.376 0.000 0.865 47 T HN 0.388 nan 8.240 nan 0.000 0.435 48 E N 0.861 121.143 120.200 0.137 0.000 2.038 48 E HA -0.099 4.256 4.350 0.008 0.000 0.195 48 E C 1.874 178.497 176.600 0.038 0.000 1.000 48 E CA 0.954 57.388 56.400 0.057 0.000 0.803 48 E CB -0.648 29.098 29.700 0.076 0.000 0.750 48 E HN 0.520 nan 8.360 nan 0.000 0.448 49 F N 1.555 121.504 119.950 -0.002 0.000 2.120 49 F HA -0.228 4.303 4.527 0.007 0.000 0.300 49 F C 2.190 177.947 175.800 -0.071 0.000 1.095 49 F CA 1.691 59.684 58.000 -0.011 0.000 1.249 49 F CB -0.553 38.473 39.000 0.044 0.000 0.995 49 F HN -0.006 nan 8.300 nan 0.000 0.480 50 A N -0.043 122.614 122.820 -0.272 0.000 1.933 50 A HA -0.227 4.098 4.320 0.008 0.000 0.218 50 A C 2.182 179.301 177.584 -0.774 0.000 1.175 50 A CA 1.948 53.654 52.037 -0.551 0.000 0.628 50 A CB -0.738 17.982 19.000 -0.466 0.000 0.814 50 A HN 0.412 nan 8.150 nan 0.000 0.444 51 K N -0.724 119.264 120.400 -0.686 0.000 2.147 51 K HA -0.055 4.270 4.320 0.008 0.000 0.205 51 K C 2.041 178.394 176.600 -0.412 0.000 1.049 51 K CA 1.680 57.594 56.287 -0.621 0.000 0.936 51 K CB -0.396 31.871 32.500 -0.389 0.000 0.722 51 K HN 0.501 nan 8.250 nan 0.000 0.446 52 T N -0.178 114.162 114.554 -0.356 0.000 2.708 52 T HA -0.166 4.188 4.350 0.008 0.000 0.266 52 T C 1.924 176.442 174.700 -0.302 0.000 1.037 52 T CA 1.469 63.408 62.100 -0.267 0.000 1.146 52 T CB -0.421 68.324 68.868 -0.205 0.000 0.865 52 T HN 0.310 nan 8.240 nan 0.000 0.435 53 c N 0.995 119.330 118.600 -0.443 0.000 2.450 53 c HA 0.073 4.647 4.570 0.008 0.000 0.279 53 c C 2.828 176.762 174.090 -0.261 0.000 1.335 53 c CA -0.173 55.944 56.329 -0.353 0.000 1.749 53 c CB -1.159 41.083 42.510 -0.447 0.000 1.963 53 c HN 0.344 nan 8.230 nan 0.000 0.501 54 V N 1.521 121.239 119.914 -0.327 0.000 2.407 54 V HA -0.193 3.931 4.120 0.008 0.000 0.248 54 V C 2.711 178.703 176.094 -0.169 0.000 1.055 54 V CA 2.236 64.388 62.300 -0.248 0.000 1.049 54 V CB -1.108 30.505 31.823 -0.349 0.000 0.662 54 V HN 0.595 nan 8.190 nan 0.000 0.455 55 A N -0.728 121.984 122.820 -0.179 0.000 1.929 55 A HA -0.099 4.226 4.320 0.008 0.000 0.216 55 A C 1.215 178.744 177.584 -0.091 0.000 1.176 55 A CA 1.643 53.607 52.037 -0.121 0.000 0.628 55 A CB -0.093 18.837 19.000 -0.118 0.000 0.816 55 A HN 0.540 nan 8.150 nan 0.000 0.444 56 D N -1.467 118.872 120.400 -0.101 0.000 2.375 56 D HA 0.310 4.955 4.640 0.008 0.000 0.241 56 D C 0.381 176.638 176.300 -0.072 0.000 1.361 56 D CA -0.247 53.711 54.000 -0.070 0.000 0.995 56 D CB 0.811 41.578 40.800 -0.055 0.000 1.312 56 D HN 0.340 nan 8.370 nan 0.000 0.576 57 E N 0.479 120.647 120.200 -0.054 0.000 2.401 57 E HA -0.078 4.277 4.350 0.008 0.000 0.199 57 E C 0.983 177.571 176.600 -0.021 0.000 1.023 57 E CA 0.813 57.189 56.400 -0.041 0.000 0.859 57 E CB 0.044 29.734 29.700 -0.017 0.000 0.780 57 E HN 0.125 nan 8.360 nan 0.000 0.523 58 S N 0.061 115.752 115.700 -0.016 0.000 2.535 58 S HA 0.325 4.799 4.470 0.008 0.000 0.214 58 S C 0.834 175.437 174.600 0.004 0.000 0.980 58 S CA -0.024 58.175 58.200 -0.001 0.000 0.907 58 S CB 0.209 63.409 63.200 0.001 0.000 0.790 58 S HN 0.497 nan 8.310 nan 0.000 0.510 59 A N 1.956 124.770 122.820 -0.010 0.000 2.475 59 A HA 0.161 4.486 4.320 0.008 0.000 0.239 59 A C 0.407 178.018 177.584 0.044 0.000 1.087 59 A CA -0.196 51.843 52.037 0.003 0.000 0.779 59 A CB -0.034 18.949 19.000 -0.029 0.000 1.036 59 A HN 0.457 nan 8.150 nan 0.000 0.506 60 E N 0.619 120.862 120.200 0.071 0.000 2.481 60 E HA -0.065 4.289 4.350 0.008 0.000 0.263 60 E C 0.404 177.122 176.600 0.196 0.000 0.992 60 E CA 0.782 57.246 56.400 0.106 0.000 0.938 60 E CB 0.025 29.780 29.700 0.092 0.000 0.933 60 E HN 0.676 nan 8.360 nan 0.000 0.453 61 N N 1.669 120.468 118.700 0.165 0.000 2.922 61 N HA -0.297 4.448 4.740 0.008 0.000 0.231 61 N C 0.847 176.549 175.510 0.320 0.000 0.889 61 N CA 1.385 54.563 53.050 0.213 0.000 1.027 61 N CB -1.864 36.731 38.487 0.179 0.000 1.059 61 N HN 0.510 nan 8.380 nan 0.000 0.613 62 c N 1.163 119.916 118.600 0.254 0.000 2.430 62 c HA -0.127 4.448 4.570 0.008 0.000 0.288 62 c C 2.108 176.269 174.090 0.120 0.000 1.448 62 c CA 1.173 57.587 56.329 0.142 0.000 1.784 62 c CB -1.353 41.145 42.510 -0.020 0.000 1.776 62 c HN 0.635 nan 8.230 nan 0.000 0.547 63 D N -0.145 120.325 120.400 0.116 0.000 2.305 63 D HA -0.033 4.611 4.640 0.008 0.000 0.206 63 D C 0.806 177.167 176.300 0.102 0.000 0.974 63 D CA 0.434 54.487 54.000 0.088 0.000 0.871 63 D CB -0.195 40.646 40.800 0.067 0.000 0.947 63 D HN 0.140 nan 8.370 nan 0.000 0.516 64 K N 1.324 121.801 120.400 0.128 0.000 2.440 64 K HA 0.098 4.422 4.320 0.008 0.000 0.270 64 K C 0.688 177.367 176.600 0.131 0.000 0.980 64 K CA 0.059 56.419 56.287 0.121 0.000 0.953 64 K CB 0.631 33.203 32.500 0.120 0.000 0.925 64 K HN 0.363 nan 8.250 nan 0.000 0.497 65 S N 1.204 116.976 115.700 0.120 0.000 2.614 65 S HA 0.181 4.655 4.470 0.008 0.000 0.265 65 S C 1.669 176.346 174.600 0.129 0.000 1.303 65 S CA -0.730 57.545 58.200 0.124 0.000 1.000 65 S CB 0.538 63.822 63.200 0.139 0.000 0.935 65 S HN 0.500 nan 8.310 nan 0.000 0.551 66 L N 0.444 121.719 121.223 0.087 0.000 2.012 66 L HA -0.143 4.202 4.340 0.008 0.000 0.210 66 L C 2.635 179.513 176.870 0.012 0.000 1.073 66 L CA 1.873 56.729 54.840 0.027 0.000 0.748 66 L CB -0.959 41.046 42.059 -0.089 0.000 0.891 66 L HN 0.814 nan 8.230 nan 0.000 0.431 67 H N -0.880 118.244 119.070 0.090 0.000 2.290 67 H HA -0.167 4.394 4.556 0.007 0.000 0.298 67 H C 2.361 177.769 175.328 0.133 0.000 1.087 67 H CA 2.083 58.200 56.048 0.115 0.000 1.291 67 H CB -0.369 29.452 29.762 0.098 0.000 1.369 67 H HN 0.245 nan 8.280 nan 0.000 0.492 68 T N 0.909 115.599 114.554 0.227 0.000 2.652 68 T HA -0.176 4.178 4.350 0.008 0.000 0.267 68 T C 2.200 176.962 174.700 0.104 0.000 1.039 68 T CA 1.405 63.593 62.100 0.147 0.000 1.153 68 T CB -0.445 68.494 68.868 0.117 0.000 0.863 68 T HN 0.176 nan 8.240 nan 0.000 0.428 69 L N -0.296 120.993 121.223 0.110 0.000 2.012 69 L HA -0.074 4.270 4.340 0.008 0.000 0.210 69 L C 2.349 179.268 176.870 0.082 0.000 1.073 69 L CA 1.439 56.324 54.840 0.075 0.000 0.748 69 L CB -0.566 41.575 42.059 0.137 0.000 0.891 69 L HN 0.191 nan 8.230 nan 0.000 0.431 70 F N 0.919 120.837 119.950 -0.053 0.000 2.102 70 F HA -0.139 4.392 4.527 0.008 0.000 0.298 70 F C 2.220 177.929 175.800 -0.151 0.000 1.105 70 F CA 1.574 59.490 58.000 -0.140 0.000 1.239 70 F CB -0.739 38.094 39.000 -0.279 0.000 0.991 70 F HN -0.024 nan 8.300 nan 0.000 0.474 71 G N -0.425 108.285 108.800 -0.150 0.000 2.408 71 G HA2 -0.233 3.731 3.960 0.008 0.000 0.217 71 G HA3 -0.233 3.731 3.960 0.008 0.000 0.217 71 G C 1.379 176.186 174.900 -0.154 0.000 1.150 71 G CA 0.958 45.924 45.100 -0.224 0.000 0.776 71 G HN 0.339 nan 8.290 nan 0.000 0.542 72 D N 0.333 120.684 120.400 -0.081 0.000 2.144 72 D HA -0.038 4.606 4.640 0.008 0.000 0.200 72 D C 2.357 178.590 176.300 -0.112 0.000 0.978 72 D CA 0.631 54.591 54.000 -0.067 0.000 0.833 72 D CB 0.003 40.769 40.800 -0.055 0.000 0.961 72 D HN 0.094 nan 8.370 nan 0.000 0.470 73 K N 0.503 120.817 120.400 -0.142 0.000 2.155 73 K HA -0.033 4.291 4.320 0.008 0.000 0.203 73 K C 2.038 178.515 176.600 -0.205 0.000 1.052 73 K CA 0.056 56.257 56.287 -0.143 0.000 0.948 73 K CB -0.361 32.112 32.500 -0.044 0.000 0.728 73 K HN 0.113 nan 8.250 nan 0.000 0.448 74 L N 0.780 121.820 121.223 -0.305 0.000 2.046 74 L HA -0.170 4.175 4.340 0.008 0.000 0.208 74 L C 2.038 178.798 176.870 -0.183 0.000 1.077 74 L CA 1.520 56.138 54.840 -0.370 0.000 0.747 74 L CB -0.634 40.923 42.059 -0.836 0.000 0.896 74 L HN 0.100 nan 8.230 nan 0.000 0.432 75 c N -1.562 116.980 118.600 -0.095 0.000 2.491 75 c HA -0.023 4.552 4.570 0.008 0.000 0.277 75 c C 2.558 176.633 174.090 -0.026 0.000 1.455 75 c CA 0.813 57.149 56.329 0.012 0.000 1.758 75 c CB -1.442 41.103 42.510 0.059 0.000 1.745 75 c HN 0.526 nan 8.230 nan 0.000 0.558 76 T N 0.690 115.200 114.554 -0.074 0.000 2.896 76 T HA -0.027 4.328 4.350 0.008 0.000 0.263 76 T C 0.889 175.546 174.700 -0.071 0.000 1.050 76 T CA 0.706 62.759 62.100 -0.079 0.000 1.140 76 T CB -0.030 68.770 68.868 -0.113 0.000 0.877 76 T HN 0.244 nan 8.240 nan 0.000 0.457 77 V N 2.519 122.385 119.914 -0.080 0.000 2.539 77 V HA 0.044 4.168 4.120 0.008 0.000 0.300 77 V C 1.550 177.634 176.094 -0.016 0.000 1.019 77 V CA 0.211 62.477 62.300 -0.056 0.000 1.160 77 V CB 0.221 32.024 31.823 -0.034 0.000 0.901 77 V HN 0.463 nan 8.190 nan 0.000 0.481 78 A N 4.689 127.493 122.820 -0.026 0.000 1.929 78 A HA -0.083 4.242 4.320 0.008 0.000 0.216 78 A C 2.031 179.614 177.584 -0.002 0.000 1.176 78 A CA 1.653 53.680 52.037 -0.016 0.000 0.628 78 A CB -0.445 18.538 19.000 -0.029 0.000 0.816 78 A HN 0.924 nan 8.150 nan 0.000 0.444 79 T N -2.052 112.504 114.554 0.002 0.000 3.219 79 T HA 0.180 4.534 4.350 0.008 0.000 0.249 79 T C 1.382 176.110 174.700 0.045 0.000 1.099 79 T CA 0.511 62.611 62.100 -0.000 0.000 0.988 79 T CB -0.195 68.654 68.868 -0.030 0.000 0.999 79 T HN 0.111 nan 8.240 nan 0.000 0.550 80 L N 2.315 123.602 121.223 0.108 0.000 1.978 80 L HA -0.122 4.222 4.340 0.008 0.000 0.218 80 L C 2.775 179.761 176.870 0.193 0.000 1.075 80 L CA 2.153 57.132 54.840 0.232 0.000 0.767 80 L CB -0.572 41.581 42.059 0.155 0.000 0.890 80 L HN 0.343 nan 8.230 nan 0.000 0.434 81 R N -0.907 119.646 120.500 0.088 0.000 2.092 81 R HA -0.171 4.173 4.340 0.008 0.000 0.231 81 R C 2.257 178.566 176.300 0.015 0.000 1.119 81 R CA 1.575 57.703 56.100 0.048 0.000 0.970 81 R CB -0.526 29.786 30.300 0.020 0.000 0.864 81 R HN 0.513 nan 8.270 nan 0.000 0.440 82 E N -0.311 119.884 120.200 -0.007 0.000 2.208 82 E HA -0.092 4.262 4.350 0.008 0.000 0.193 82 E C 0.672 177.218 176.600 -0.089 0.000 0.988 82 E CA 1.498 57.874 56.400 -0.039 0.000 0.828 82 E CB 0.270 29.946 29.700 -0.039 0.000 0.763 82 E HN 0.427 nan 8.360 nan 0.000 0.478 83 T N -0.967 113.495 114.554 -0.153 0.000 3.023 83 T HA 0.058 4.412 4.350 0.008 0.000 0.249 83 T C 0.626 175.014 174.700 -0.520 0.000 1.050 83 T CA 0.218 62.095 62.100 -0.372 0.000 1.088 83 T CB 0.020 68.545 68.868 -0.572 0.000 0.946 83 T HN 0.152 nan 8.240 nan 0.000 0.480 84 Y N 0.701 121.012 120.300 0.017 0.000 2.453 84 Y HA 0.441 4.995 4.550 0.007 0.000 0.247 84 Y C 1.915 177.811 175.900 -0.008 0.000 1.124 84 Y CA -0.436 57.679 58.100 0.023 0.000 1.243 84 Y CB -0.078 38.413 38.460 0.050 0.000 1.213 84 Y HN 0.286 nan 8.280 nan 0.000 0.523 85 G N 1.107 109.953 108.800 0.076 0.000 2.646 85 G HA2 -0.475 3.489 3.960 0.008 0.000 0.324 85 G HA3 -0.475 3.489 3.960 0.008 0.000 0.324 85 G C 1.313 176.205 174.900 -0.013 0.000 1.195 85 G CA 1.027 46.143 45.100 0.026 0.000 0.976 85 G HN 0.352 nan 8.290 nan 0.000 0.546 86 E N -0.313 119.857 120.200 -0.050 0.000 2.136 86 E HA -0.263 4.091 4.350 0.008 0.000 0.202 86 E C 2.572 178.965 176.600 -0.344 0.000 1.019 86 E CA 1.718 58.024 56.400 -0.158 0.000 0.819 86 E CB -0.199 29.423 29.700 -0.130 0.000 0.739 86 E HN 0.515 nan 8.360 nan 0.000 0.458 87 M N 0.257 119.620 119.600 -0.395 0.000 2.143 87 M HA -0.257 4.228 4.480 0.008 0.000 0.258 87 M C 2.205 178.380 176.300 -0.208 0.000 1.071 87 M CA 1.865 56.934 55.300 -0.384 0.000 1.088 87 M CB -0.104 32.462 32.600 -0.056 0.000 1.360 87 M HN 0.152 nan 8.290 nan 0.000 0.404 88 A N -0.182 122.600 122.820 -0.064 0.000 2.019 88 A HA -0.186 4.138 4.320 0.008 0.000 0.219 88 A C 1.537 179.072 177.584 -0.082 0.000 1.164 88 A CA 1.886 53.913 52.037 -0.017 0.000 0.644 88 A CB -0.741 18.276 19.000 0.028 0.000 0.805 88 A HN 0.579 nan 8.150 nan 0.000 0.449 89 D N -0.885 119.438 120.400 -0.128 0.000 2.348 89 D HA -0.044 4.600 4.640 0.008 0.000 0.216 89 D C 1.637 177.839 176.300 -0.164 0.000 0.970 89 D CA 0.560 54.492 54.000 -0.114 0.000 0.889 89 D CB -0.299 40.447 40.800 -0.091 0.000 0.912 89 D HN 0.461 nan 8.370 nan 0.000 0.524 90 c N 0.071 118.494 118.600 -0.295 0.000 2.435 90 c HA -0.107 4.467 4.570 0.008 0.000 0.279 90 c C 2.804 176.697 174.090 -0.329 0.000 1.321 90 c CA 0.038 56.095 56.329 -0.452 0.000 1.752 90 c CB -0.843 41.024 42.510 -1.071 0.000 1.959 90 c HN 0.448 nan 8.230 nan 0.000 0.500 91 c N 1.013 119.497 118.600 -0.194 0.000 2.430 91 c HA 0.005 4.580 4.570 0.008 0.000 0.288 91 c C 2.750 176.827 174.090 -0.022 0.000 1.448 91 c CA 1.032 57.347 56.329 -0.023 0.000 1.784 91 c CB -1.734 40.803 42.510 0.045 0.000 1.776 91 c HN 0.717 nan 8.230 nan 0.000 0.547 92 A N -0.171 122.620 122.820 -0.050 0.000 2.178 92 A HA 0.072 4.396 4.320 0.008 0.000 0.211 92 A C 0.997 178.567 177.584 -0.024 0.000 1.157 92 A CA 0.561 52.581 52.037 -0.030 0.000 0.780 92 A CB -0.044 18.936 19.000 -0.033 0.000 0.828 92 A HN 0.653 nan 8.150 nan 0.000 0.476 93 K N -0.623 119.757 120.400 -0.034 0.000 2.109 93 K HA 0.548 4.872 4.320 0.008 0.000 0.243 93 K C 0.306 176.909 176.600 0.005 0.000 1.006 93 K CA -0.028 56.248 56.287 -0.018 0.000 0.917 93 K CB 0.340 32.822 32.500 -0.031 0.000 1.081 93 K HN 0.263 nan 8.250 nan 0.000 0.468 94 Q N 1.312 121.119 119.800 0.011 0.000 2.314 94 Q HA -0.000 4.344 4.340 0.008 0.000 0.258 94 Q C 0.933 176.955 176.000 0.036 0.000 0.954 94 Q CA 0.023 55.840 55.803 0.023 0.000 0.890 94 Q CB 0.706 29.455 28.738 0.019 0.000 1.210 94 Q HN 0.743 nan 8.270 nan 0.000 0.410 95 E N 2.476 122.707 120.200 0.052 0.000 2.119 95 E HA -0.230 4.125 4.350 0.008 0.000 0.221 95 E C -0.597 176.041 176.600 0.064 0.000 1.062 95 E CA 3.071 59.516 56.400 0.075 0.000 0.894 95 E CB -1.000 28.749 29.700 0.082 0.000 0.785 95 E HN 0.707 nan 8.360 nan 0.000 0.472 96 P HA -0.191 nan 4.420 nan 0.000 0.217 96 P C 0.871 178.189 177.300 0.030 0.000 1.162 96 P CA 2.219 65.330 63.100 0.018 0.000 0.901 96 P CB -0.136 31.570 31.700 0.011 0.000 0.793 97 E N -0.899 119.320 120.200 0.031 0.000 2.216 97 E HA -0.058 4.297 4.350 0.008 0.000 0.192 97 E C 2.320 178.940 176.600 0.033 0.000 0.988 97 E CA 0.363 56.782 56.400 0.031 0.000 0.834 97 E CB -0.594 29.115 29.700 0.016 0.000 0.772 97 E HN 0.190 nan 8.360 nan 0.000 0.479 98 R N 1.000 121.525 120.500 0.042 0.000 2.083 98 R HA -0.220 4.125 4.340 0.008 0.000 0.237 98 R C 2.031 178.428 176.300 0.162 0.000 1.137 98 R CA 1.962 58.084 56.100 0.038 0.000 0.951 98 R CB -0.218 30.150 30.300 0.113 0.000 0.851 98 R HN 0.140 nan 8.270 nan 0.000 0.434 99 N N 0.103 118.954 118.700 0.253 0.000 2.188 99 N HA -0.200 4.545 4.740 0.008 0.000 0.184 99 N C 1.646 177.321 175.510 0.275 0.000 1.018 99 N CA 1.539 54.800 53.050 0.352 0.000 0.858 99 N CB -0.059 38.566 38.487 0.231 0.000 0.989 99 N HN 0.222 nan 8.380 nan 0.000 0.426 100 E N -0.029 120.266 120.200 0.158 0.000 2.110 100 E HA -0.126 4.229 4.350 0.008 0.000 0.193 100 E C 2.032 178.704 176.600 0.121 0.000 0.988 100 E CA 0.857 57.336 56.400 0.132 0.000 0.804 100 E CB -0.919 28.842 29.700 0.103 0.000 0.745 100 E HN 0.476 nan 8.360 nan 0.000 0.458 101 c N -0.486 118.160 118.600 0.077 0.000 2.429 101 c HA -0.099 4.475 4.570 0.008 0.000 0.277 101 c C 2.399 176.571 174.090 0.136 0.000 1.262 101 c CA 0.736 57.088 56.329 0.039 0.000 1.733 101 c CB -1.517 40.925 42.510 -0.113 0.000 2.010 101 c HN 0.475 nan 8.230 nan 0.000 0.483 102 F N 0.438 120.515 119.950 0.212 0.000 2.171 102 F HA -0.039 4.492 4.527 0.007 0.000 0.300 102 F C 2.111 178.096 175.800 0.308 0.000 1.090 102 F CA 1.134 59.294 58.000 0.268 0.000 1.293 102 F CB -0.877 38.252 39.000 0.216 0.000 1.013 102 F HN 0.124 nan 8.300 nan 0.000 0.486 103 L N 0.138 121.606 121.223 0.409 0.000 2.017 103 L HA -0.227 4.118 4.340 0.008 0.000 0.208 103 L C 2.306 179.244 176.870 0.113 0.000 1.073 103 L CA 1.774 56.748 54.840 0.224 0.000 0.745 103 L CB -1.421 40.670 42.059 0.054 0.000 0.894 103 L HN 0.241 nan 8.230 nan 0.000 0.432 104 Q N -1.460 118.365 119.800 0.041 0.000 2.297 104 Q HA -0.183 4.161 4.340 0.008 0.000 0.208 104 Q C 1.156 176.995 176.000 -0.269 0.000 0.981 104 Q CA 1.122 56.847 55.803 -0.130 0.000 0.876 104 Q CB -0.131 28.467 28.738 -0.234 0.000 0.921 104 Q HN 0.636 nan 8.270 nan 0.000 0.446 105 H N -0.324 118.814 119.070 0.113 0.000 2.549 105 H HA 0.179 4.740 4.556 0.008 0.000 0.279 105 H C -0.002 175.387 175.328 0.101 0.000 1.018 105 H CA -0.020 56.094 56.048 0.110 0.000 1.175 105 H CB 0.383 30.215 29.762 0.117 0.000 1.485 105 H HN 0.031 nan 8.280 nan 0.000 0.543 106 K N 2.810 123.286 120.400 0.127 0.000 2.166 106 K HA -0.044 4.280 4.320 0.008 0.000 0.273 106 K C -0.324 176.281 176.600 0.008 0.000 1.095 106 K CA -0.274 56.001 56.287 -0.020 0.000 0.985 106 K CB -0.050 32.320 32.500 -0.216 0.000 1.172 106 K HN 0.047 nan 8.250 nan 0.000 0.401 107 D N 3.239 123.665 120.400 0.044 0.000 2.426 107 D HA -0.133 4.511 4.640 0.008 0.000 0.261 107 D C 0.856 177.170 176.300 0.024 0.000 1.245 107 D CA 0.418 54.454 54.000 0.060 0.000 0.917 107 D CB 0.600 41.446 40.800 0.076 0.000 1.123 107 D HN 0.582 nan 8.370 nan 0.000 0.508 108 D N 3.392 123.863 120.400 0.118 0.000 2.218 108 D HA -0.200 4.444 4.640 0.008 0.000 0.204 108 D C -0.198 176.139 176.300 0.061 0.000 0.976 108 D CA 0.681 54.797 54.000 0.194 0.000 0.853 108 D CB 0.255 41.260 40.800 0.342 0.000 0.939 108 D HN 0.378 nan 8.370 nan 0.000 0.481 109 N N 0.167 118.885 118.700 0.029 0.000 2.653 109 N HA 0.228 4.973 4.740 0.008 0.000 0.261 109 N C -2.898 172.607 175.510 -0.009 0.000 1.216 109 N CA -1.115 51.927 53.050 -0.013 0.000 0.784 109 N CB 1.825 40.308 38.487 -0.007 0.000 1.327 109 N HN -0.128 nan 8.380 nan 0.000 0.539 110 P HA 0.322 nan 4.420 nan 0.000 0.279 110 P C -0.813 176.479 177.300 -0.012 0.000 1.282 110 P CA -0.320 62.780 63.100 -0.001 0.000 0.788 110 P CB 0.916 32.618 31.700 0.004 0.000 1.139 111 N N -0.393 118.306 118.700 -0.003 0.000 2.955 111 N HA 0.319 5.064 4.740 0.008 0.000 0.242 111 N C -0.899 174.605 175.510 -0.010 0.000 1.123 111 N CA -0.263 52.782 53.050 -0.008 0.000 0.949 111 N CB -0.181 38.305 38.487 -0.002 0.000 1.214 111 N HN 0.182 nan 8.380 nan 0.000 0.504 112 L N 1.397 122.608 121.223 -0.021 0.000 2.334 112 L HA 0.637 4.981 4.340 0.008 0.000 0.272 112 L C -1.870 174.988 176.870 -0.021 0.000 1.020 112 L CA -2.034 52.792 54.840 -0.023 0.000 0.812 112 L CB 0.914 42.949 42.059 -0.041 0.000 1.264 112 L HN 0.166 nan 8.230 nan 0.000 0.439 113 P HA 0.135 nan 4.420 nan 0.000 0.269 113 P C -1.058 176.235 177.300 -0.011 0.000 1.209 113 P CA -0.565 62.529 63.100 -0.010 0.000 0.776 113 P CB 0.360 32.056 31.700 -0.006 0.000 0.876 114 R N 1.503 122.000 120.500 -0.004 0.000 2.623 114 R HA 0.213 4.558 4.340 0.008 0.000 0.271 114 R C -0.520 175.785 176.300 0.008 0.000 1.043 114 R CA -0.576 55.525 56.100 0.001 0.000 1.083 114 R CB -0.220 30.083 30.300 0.005 0.000 0.974 114 R HN 0.198 nan 8.270 nan 0.000 0.436 115 L N 4.249 125.480 121.223 0.015 0.000 2.369 115 L HA 0.118 4.463 4.340 0.008 0.000 0.279 115 L C -0.249 176.648 176.870 0.045 0.000 1.108 115 L CA -0.082 54.779 54.840 0.034 0.000 0.852 115 L CB 1.335 43.422 42.059 0.046 0.000 1.169 115 L HN 0.638 nan 8.230 nan 0.000 0.452 116 V N 3.201 123.147 119.914 0.053 0.000 2.481 116 V HA 0.531 4.656 4.120 0.008 0.000 0.286 116 V C 0.322 176.461 176.094 0.076 0.000 1.042 116 V CA -0.990 61.341 62.300 0.053 0.000 0.928 116 V CB 1.211 33.060 31.823 0.044 0.000 0.986 116 V HN 0.796 nan 8.190 nan 0.000 0.462 117 R N 5.991 126.528 120.500 0.061 0.000 2.242 117 R HA 0.407 4.751 4.340 0.008 0.000 0.334 117 R C -1.940 174.410 176.300 0.085 0.000 1.071 117 R CA -1.238 54.904 56.100 0.070 0.000 0.922 117 R CB 0.630 30.959 30.300 0.049 0.000 1.023 117 R HN 0.848 nan 8.270 nan 0.000 0.458 118 P HA 0.136 nan 4.420 nan 0.000 0.275 118 P C -0.628 176.737 177.300 0.108 0.000 1.266 118 P CA -0.238 62.932 63.100 0.116 0.000 0.793 118 P CB 0.363 32.155 31.700 0.153 0.000 1.074 119 E N -0.021 120.235 120.200 0.094 0.000 2.392 119 E HA 0.125 4.479 4.350 0.008 0.000 0.264 119 E C 1.395 178.057 176.600 0.102 0.000 1.024 119 E CA -0.246 56.203 56.400 0.081 0.000 0.903 119 E CB -0.361 29.378 29.700 0.065 0.000 0.963 119 E HN 0.265 nan 8.360 nan 0.000 0.432 120 V N 2.050 122.017 119.914 0.087 0.000 2.317 120 V HA -0.303 3.821 4.120 0.008 0.000 0.251 120 V C 1.795 177.953 176.094 0.107 0.000 1.065 120 V CA 2.455 64.814 62.300 0.098 0.000 1.049 120 V CB -0.465 31.391 31.823 0.056 0.000 0.651 120 V HN 0.874 nan 8.190 nan 0.000 0.450 121 D N -0.199 120.252 120.400 0.085 0.000 2.117 121 D HA -0.122 4.522 4.640 0.008 0.000 0.198 121 D C 2.189 178.542 176.300 0.089 0.000 0.982 121 D CA 1.687 55.737 54.000 0.082 0.000 0.828 121 D CB -0.436 40.402 40.800 0.063 0.000 0.967 121 D HN 0.505 nan 8.370 nan 0.000 0.464 122 V N -0.950 119.020 119.914 0.094 0.000 2.427 122 V HA -0.195 3.929 4.120 0.008 0.000 0.248 122 V C 2.147 178.311 176.094 0.117 0.000 1.051 122 V CA 1.191 63.550 62.300 0.100 0.000 1.048 122 V CB -0.553 31.332 31.823 0.103 0.000 0.666 122 V HN 0.056 nan 8.190 nan 0.000 0.456 123 M N -0.286 119.405 119.600 0.153 0.000 2.067 123 M HA -0.160 4.325 4.480 0.008 0.000 0.260 123 M C 2.482 178.736 176.300 -0.076 0.000 1.069 123 M CA 2.527 57.925 55.300 0.163 0.000 1.117 123 M CB -0.749 32.048 32.600 0.328 0.000 1.334 123 M HN 0.523 nan 8.290 nan 0.000 0.407 124 c N 0.096 118.731 118.600 0.058 0.000 2.413 124 c HA -0.141 4.434 4.570 0.008 0.000 0.276 124 c C 2.897 177.011 174.090 0.040 0.000 1.248 124 c CA 1.470 57.832 56.329 0.055 0.000 1.742 124 c CB -1.042 41.557 42.510 0.149 0.000 2.017 124 c HN 0.584 nan 8.230 nan 0.000 0.481 125 T N 0.836 115.431 114.554 0.069 0.000 2.777 125 T HA -0.094 4.261 4.350 0.008 0.000 0.266 125 T C 2.102 176.805 174.700 0.004 0.000 1.040 125 T CA 1.541 63.692 62.100 0.085 0.000 1.141 125 T CB -0.398 68.514 68.868 0.073 0.000 0.868 125 T HN 0.633 nan 8.240 nan 0.000 0.444 126 A N 1.134 123.923 122.820 -0.052 0.000 1.933 126 A HA -0.056 4.268 4.320 0.008 0.000 0.218 126 A C 1.998 179.418 177.584 -0.273 0.000 1.175 126 A CA 1.380 53.380 52.037 -0.061 0.000 0.628 126 A CB -0.950 18.116 19.000 0.110 0.000 0.814 126 A HN 0.487 nan 8.150 nan 0.000 0.444 127 F N 0.269 119.712 119.950 -0.845 0.000 2.134 127 F HA -0.183 4.349 4.527 0.008 0.000 0.299 127 F C 2.386 177.921 175.800 -0.442 0.000 1.097 127 F CA 2.065 59.475 58.000 -0.984 0.000 1.264 127 F CB -0.390 37.890 39.000 -1.200 0.000 1.001 127 F HN 0.367 nan 8.300 nan 0.000 0.479 128 H N -0.242 118.614 119.070 -0.357 0.000 2.395 128 H HA -0.090 4.471 4.556 0.008 0.000 0.299 128 H C 1.927 177.112 175.328 -0.238 0.000 1.070 128 H CA 1.528 57.379 56.048 -0.329 0.000 1.356 128 H CB -0.469 29.212 29.762 -0.135 0.000 1.401 128 H HN 0.296 nan 8.280 nan 0.000 0.524 129 D N 0.474 120.851 120.400 -0.038 0.000 2.117 129 D HA -0.113 4.531 4.640 0.008 0.000 0.197 129 D C 0.619 176.892 176.300 -0.045 0.000 0.987 129 D CA 1.160 55.144 54.000 -0.026 0.000 0.829 129 D CB 0.109 40.909 40.800 0.000 0.000 0.961 129 D HN 0.174 nan 8.370 nan 0.000 0.460 130 N N 0.074 118.735 118.700 -0.066 0.000 2.839 130 N HA -0.037 4.708 4.740 0.008 0.000 0.230 130 N C 0.302 175.795 175.510 -0.028 0.000 1.388 130 N CA -0.070 52.963 53.050 -0.028 0.000 0.747 130 N CB 0.914 39.422 38.487 0.036 0.000 1.411 130 N HN -0.071 nan 8.380 nan 0.000 0.556 131 E N 1.140 121.244 120.200 -0.160 0.000 2.070 131 E HA -0.218 4.136 4.350 0.008 0.000 0.197 131 E C 0.915 177.579 176.600 0.106 0.000 1.004 131 E CA 1.324 57.621 56.400 -0.170 0.000 0.805 131 E CB 0.320 29.823 29.700 -0.329 0.000 0.744 131 E HN 0.550 nan 8.360 nan 0.000 0.451 132 E N -0.612 119.636 120.200 0.080 0.000 2.031 132 E HA -0.177 4.178 4.350 0.008 0.000 0.193 132 E C 2.233 178.933 176.600 0.168 0.000 0.994 132 E CA 1.903 58.378 56.400 0.125 0.000 0.800 132 E CB -0.130 29.625 29.700 0.092 0.000 0.752 132 E HN 0.428 nan 8.360 nan 0.000 0.447 133 T N -1.374 113.281 114.554 0.167 0.000 2.995 133 T HA -0.111 4.244 4.350 0.008 0.000 0.269 133 T C 1.741 176.506 174.700 0.108 0.000 1.091 133 T CA 0.527 62.743 62.100 0.193 0.000 1.128 133 T CB -0.391 68.594 68.868 0.195 0.000 0.891 133 T HN 0.122 nan 8.240 nan 0.000 0.492 134 F N 1.681 121.644 119.950 0.022 0.000 2.146 134 F HA 0.214 4.746 4.527 0.008 0.000 0.298 134 F C 1.891 177.737 175.800 0.077 0.000 1.096 134 F CA 1.018 59.032 58.000 0.024 0.000 1.275 134 F CB -0.245 38.789 39.000 0.058 0.000 1.008 134 F HN 0.095 nan 8.300 nan 0.000 0.480 135 L N -0.139 121.202 121.223 0.197 0.000 2.072 135 L HA -0.158 4.186 4.340 0.008 0.000 0.205 135 L C 2.429 179.332 176.870 0.055 0.000 1.079 135 L CA 0.852 55.765 54.840 0.121 0.000 0.752 135 L CB -0.656 41.532 42.059 0.214 0.000 0.906 135 L HN -0.023 nan 8.230 nan 0.000 0.436 136 K N 0.443 120.904 120.400 0.101 0.000 2.097 136 K HA -0.098 4.226 4.320 0.008 0.000 0.205 136 K C 1.981 178.625 176.600 0.073 0.000 1.050 136 K CA 1.034 57.427 56.287 0.176 0.000 0.938 136 K CB -0.276 32.422 32.500 0.329 0.000 0.718 136 K HN 0.222 nan 8.250 nan 0.000 0.442 137 K N -0.191 120.007 120.400 -0.338 0.000 2.103 137 K HA -0.140 4.184 4.320 0.008 0.000 0.207 137 K C 2.059 178.362 176.600 -0.494 0.000 1.048 137 K CA 1.351 57.087 56.287 -0.919 0.000 0.930 137 K CB -0.127 31.722 32.500 -1.085 0.000 0.716 137 K HN 0.150 nan 8.250 nan 0.000 0.444 138 Y N -0.028 120.068 120.300 -0.340 0.000 2.490 138 Y HA -0.062 4.492 4.550 0.008 0.000 0.285 138 Y C 1.847 177.618 175.900 -0.216 0.000 1.117 138 Y CA 0.129 58.039 58.100 -0.317 0.000 1.262 138 Y CB 0.012 38.191 38.460 -0.468 0.000 1.043 138 Y HN -0.041 nan 8.280 nan 0.000 0.553 139 L N -0.800 120.433 121.223 0.018 0.000 2.093 139 L HA -0.215 4.129 4.340 0.008 0.000 0.208 139 L C 2.246 179.141 176.870 0.041 0.000 1.085 139 L CA 1.765 56.615 54.840 0.017 0.000 0.755 139 L CB -1.061 41.039 42.059 0.069 0.000 0.904 139 L HN 0.358 nan 8.230 nan 0.000 0.435 140 Y N 0.122 120.408 120.300 -0.024 0.000 2.163 140 Y HA -0.177 4.378 4.550 0.008 0.000 0.288 140 Y C 2.326 178.205 175.900 -0.035 0.000 1.136 140 Y CA 1.863 59.968 58.100 0.008 0.000 1.147 140 Y CB -0.157 38.400 38.460 0.162 0.000 0.987 140 Y HN 0.227 nan 8.280 nan 0.000 0.509 141 E N 0.330 120.354 120.200 -0.294 0.000 2.110 141 E HA -0.153 4.202 4.350 0.008 0.000 0.193 141 E C 2.222 178.686 176.600 -0.225 0.000 0.988 141 E CA 1.158 57.338 56.400 -0.366 0.000 0.804 141 E CB -0.132 29.441 29.700 -0.212 0.000 0.745 141 E HN 0.512 nan 8.360 nan 0.000 0.458 142 I N 0.898 121.376 120.570 -0.153 0.000 2.233 142 I HA -0.129 4.046 4.170 0.008 0.000 0.243 142 I C 2.455 178.517 176.117 -0.090 0.000 1.093 142 I CA 0.910 62.131 61.300 -0.132 0.000 1.380 142 I CB -1.610 36.246 38.000 -0.241 0.000 1.067 142 I HN -0.074 nan 8.210 nan 0.000 0.413 143 A N 2.143 124.890 122.820 -0.122 0.000 1.908 143 A HA -0.228 4.097 4.320 0.008 0.000 0.218 143 A C 2.429 179.955 177.584 -0.096 0.000 1.181 143 A CA 1.975 53.962 52.037 -0.083 0.000 0.627 143 A CB -0.723 18.240 19.000 -0.062 0.000 0.818 143 A HN 0.543 nan 8.150 nan 0.000 0.445 144 R N -0.619 119.771 120.500 -0.183 0.000 2.120 144 R HA -0.075 4.269 4.340 0.008 0.000 0.234 144 R C 1.869 178.087 176.300 -0.137 0.000 1.123 144 R CA 1.536 57.530 56.100 -0.176 0.000 0.975 144 R CB -0.391 29.732 30.300 -0.294 0.000 0.866 144 R HN 0.459 nan 8.270 nan 0.000 0.446 145 R N -0.215 120.210 120.500 -0.125 0.000 2.246 145 R HA 0.058 4.402 4.340 0.008 0.000 0.199 145 R C -0.056 176.034 176.300 -0.350 0.000 0.984 145 R CA 0.589 56.583 56.100 -0.177 0.000 1.015 145 R CB 0.196 30.421 30.300 -0.125 0.000 0.930 145 R HN 0.379 nan 8.270 nan 0.000 0.475 146 H N -0.838 118.177 119.070 -0.091 0.000 2.348 146 H HA 0.205 4.766 4.556 0.007 0.000 0.232 146 H C -2.093 173.213 175.328 -0.036 0.000 1.419 146 H CA -1.880 54.154 56.048 -0.022 0.000 1.416 146 H CB 1.287 31.033 29.762 -0.026 0.000 1.510 146 H HN -0.069 nan 8.280 nan 0.000 0.507 147 P HA -0.169 nan 4.420 nan 0.000 0.221 147 P C 0.294 177.318 177.300 -0.460 0.000 1.145 147 P CA 1.424 64.309 63.100 -0.357 0.000 0.795 147 P CB 0.117 31.483 31.700 -0.557 0.000 0.775 148 Y N -3.961 116.388 120.300 0.082 0.000 2.467 148 Y HA 0.245 4.800 4.550 0.008 0.000 0.250 148 Y C 0.852 176.858 175.900 0.178 0.000 1.155 148 Y CA -0.841 57.313 58.100 0.091 0.000 1.249 148 Y CB -0.227 38.269 38.460 0.060 0.000 1.146 148 Y HN -0.188 nan 8.280 nan 0.000 0.524 149 F N 1.497 121.562 119.950 0.192 0.000 2.571 149 F HA -0.029 4.502 4.527 0.008 0.000 0.384 149 F C 0.414 176.330 175.800 0.193 0.000 1.058 149 F CA -0.992 57.122 58.000 0.190 0.000 1.200 149 F CB -0.021 39.055 39.000 0.127 0.000 1.077 149 F HN 0.048 nan 8.300 nan 0.000 0.558 150 Y N 6.895 127.162 120.300 -0.055 0.000 2.804 150 Y HA 0.093 4.648 4.550 0.008 0.000 0.338 150 Y C 1.126 177.114 175.900 0.147 0.000 1.252 150 Y CA -0.121 57.988 58.100 0.016 0.000 1.576 150 Y CB 0.241 38.666 38.460 -0.059 0.000 1.223 150 Y HN 0.789 nan 8.280 nan 0.000 0.536 151 A N 7.560 130.233 122.820 -0.245 0.000 1.896 151 A HA -0.236 4.089 4.320 0.008 0.000 0.220 151 A C -0.274 177.192 177.584 -0.196 0.000 1.206 151 A CA 2.171 54.095 52.037 -0.188 0.000 0.647 151 A CB -1.890 16.967 19.000 -0.238 0.000 0.828 151 A HN 0.726 nan 8.150 nan 0.000 0.455 152 P HA -0.152 nan 4.420 nan 0.000 0.218 152 P C 1.428 178.746 177.300 0.030 0.000 1.148 152 P CA 1.478 64.452 63.100 -0.209 0.000 0.822 152 P CB -0.028 31.512 31.700 -0.268 0.000 0.784 153 E N -0.881 119.408 120.200 0.149 0.000 2.106 153 E HA -0.154 4.200 4.350 0.008 0.000 0.192 153 E C 1.781 178.763 176.600 0.637 0.000 0.984 153 E CA 0.631 57.236 56.400 0.343 0.000 0.806 153 E CB -0.441 29.491 29.700 0.386 0.000 0.750 153 E HN 0.053 nan 8.360 nan 0.000 0.458 154 L N 0.996 122.614 121.223 0.659 0.000 2.083 154 L HA -0.160 4.185 4.340 0.008 0.000 0.209 154 L C 2.193 179.244 176.870 0.301 0.000 1.083 154 L CA 1.165 56.293 54.840 0.480 0.000 0.752 154 L CB -0.542 41.661 42.059 0.241 0.000 0.899 154 L HN 0.179 nan 8.230 nan 0.000 0.433 155 L N -1.431 119.916 121.223 0.205 0.000 2.056 155 L HA -0.195 4.149 4.340 0.008 0.000 0.207 155 L C 2.315 179.268 176.870 0.140 0.000 1.078 155 L CA 1.692 56.610 54.840 0.130 0.000 0.749 155 L CB -0.972 41.130 42.059 0.071 0.000 0.901 155 L HN 0.350 nan 8.230 nan 0.000 0.433 156 F N -0.981 118.964 119.950 -0.009 0.000 2.202 156 F HA -0.265 4.266 4.527 0.008 0.000 0.301 156 F C 1.910 177.638 175.800 -0.120 0.000 1.082 156 F CA 1.484 59.397 58.000 -0.145 0.000 1.313 156 F CB -0.325 38.435 39.000 -0.400 0.000 1.024 156 F HN 0.090 nan 8.300 nan 0.000 0.495 157 F N 0.047 120.058 119.950 0.102 0.000 2.293 157 F HA 0.050 4.582 4.527 0.007 0.000 0.297 157 F C 2.506 178.384 175.800 0.129 0.000 1.089 157 F CA 0.969 59.026 58.000 0.096 0.000 1.377 157 F CB -1.205 37.905 39.000 0.184 0.000 1.051 157 F HN 0.036 nan 8.300 nan 0.000 0.511 158 A N 0.267 123.228 122.820 0.234 0.000 1.902 158 A HA -0.218 4.106 4.320 0.008 0.000 0.217 158 A C 2.199 179.870 177.584 0.145 0.000 1.181 158 A CA 1.716 53.852 52.037 0.166 0.000 0.623 158 A CB -0.593 18.468 19.000 0.102 0.000 0.818 158 A HN 0.330 nan 8.150 nan 0.000 0.443 159 K N -0.665 119.749 120.400 0.023 0.000 2.211 159 K HA -0.074 4.250 4.320 0.008 0.000 0.203 159 K C 2.132 178.690 176.600 -0.071 0.000 1.050 159 K CA 1.196 57.466 56.287 -0.028 0.000 0.945 159 K CB -0.125 32.315 32.500 -0.100 0.000 0.732 159 K HN 0.413 nan 8.250 nan 0.000 0.451 160 R N -0.548 119.863 120.500 -0.149 0.000 2.153 160 R HA -0.053 4.292 4.340 0.008 0.000 0.218 160 R C 1.770 178.012 176.300 -0.096 0.000 1.072 160 R CA 1.016 57.003 56.100 -0.188 0.000 0.990 160 R CB -0.132 29.989 30.300 -0.299 0.000 0.889 160 R HN 0.219 nan 8.270 nan 0.000 0.452 161 Y N 1.026 121.322 120.300 -0.006 0.000 2.263 161 Y HA -0.134 4.420 4.550 0.007 0.000 0.292 161 Y C 2.469 178.466 175.900 0.162 0.000 1.130 161 Y CA 1.326 59.469 58.100 0.072 0.000 1.179 161 Y CB 0.048 38.585 38.460 0.128 0.000 0.998 161 Y HN -0.085 nan 8.280 nan 0.000 0.532 162 K N 0.206 120.773 120.400 0.279 0.000 2.097 162 K HA -0.184 4.140 4.320 0.008 0.000 0.206 162 K C 2.218 178.887 176.600 0.114 0.000 1.049 162 K CA 1.155 57.576 56.287 0.224 0.000 0.933 162 K CB -0.255 32.374 32.500 0.215 0.000 0.717 162 K HN 0.260 nan 8.250 nan 0.000 0.442 163 A N 0.866 123.713 122.820 0.045 0.000 1.933 163 A HA -0.070 4.255 4.320 0.008 0.000 0.218 163 A C 2.268 179.805 177.584 -0.080 0.000 1.175 163 A CA 1.731 53.761 52.037 -0.012 0.000 0.628 163 A CB -0.672 18.297 19.000 -0.050 0.000 0.814 163 A HN 0.466 nan 8.150 nan 0.000 0.444 164 A N -1.552 121.170 122.820 -0.164 0.000 2.015 164 A HA 0.117 4.441 4.320 0.008 0.000 0.219 164 A C 1.868 179.205 177.584 -0.412 0.000 1.163 164 A CA 1.235 53.086 52.037 -0.310 0.000 0.646 164 A CB -0.587 18.137 19.000 -0.459 0.000 0.806 164 A HN 0.446 nan 8.150 nan 0.000 0.448 165 F N 0.011 119.764 119.950 -0.328 0.000 2.187 165 F HA -0.046 4.485 4.527 0.008 0.000 0.295 165 F C 2.726 178.292 175.800 -0.390 0.000 1.091 165 F CA 1.671 59.330 58.000 -0.569 0.000 1.308 165 F CB -0.920 37.307 39.000 -1.288 0.000 1.030 165 F HN 0.094 nan 8.300 nan 0.000 0.487 166 T N -0.355 114.175 114.554 -0.040 0.000 2.607 166 T HA -0.299 4.055 4.350 0.008 0.000 0.267 166 T C 1.938 176.692 174.700 0.090 0.000 1.049 166 T CA 1.984 64.178 62.100 0.157 0.000 1.162 166 T CB -0.389 68.572 68.868 0.156 0.000 0.863 166 T HN 0.330 nan 8.240 nan 0.000 0.424 167 E N -0.484 119.723 120.200 0.013 0.000 2.051 167 E HA -0.142 4.213 4.350 0.008 0.000 0.192 167 E C 2.327 178.918 176.600 -0.015 0.000 0.991 167 E CA 1.352 57.750 56.400 -0.004 0.000 0.799 167 E CB -0.134 29.542 29.700 -0.040 0.000 0.748 167 E HN 0.491 nan 8.360 nan 0.000 0.449 168 c N -0.025 118.535 118.600 -0.067 0.000 2.485 168 c HA 0.016 4.590 4.570 0.008 0.000 0.278 168 c C 2.705 176.791 174.090 -0.006 0.000 1.356 168 c CA -0.055 56.233 56.329 -0.069 0.000 1.747 168 c CB -0.714 41.697 42.510 -0.164 0.000 2.001 168 c HN 0.625 nan 8.230 nan 0.000 0.501 169 c N 0.699 119.323 118.600 0.040 0.000 2.449 169 c HA -0.078 4.496 4.570 0.008 0.000 0.283 169 c C 2.486 176.690 174.090 0.189 0.000 1.453 169 c CA 0.948 57.359 56.329 0.136 0.000 1.779 169 c CB -1.696 40.923 42.510 0.182 0.000 1.779 169 c HN 0.661 nan 8.230 nan 0.000 0.546 170 Q N 0.357 120.243 119.800 0.142 0.000 2.396 170 Q HA 0.245 4.589 4.340 0.008 0.000 0.209 170 Q C 1.122 177.161 176.000 0.065 0.000 0.906 170 Q CA 0.063 55.937 55.803 0.118 0.000 0.927 170 Q CB 0.064 28.868 28.738 0.110 0.000 1.069 170 Q HN 0.622 nan 8.270 nan 0.000 0.523 171 A N 0.893 123.739 122.820 0.045 0.000 2.507 171 A HA 0.302 4.627 4.320 0.008 0.000 0.235 171 A C 1.253 178.850 177.584 0.023 0.000 1.070 171 A CA 0.625 52.675 52.037 0.022 0.000 0.768 171 A CB 0.215 19.216 19.000 0.002 0.000 1.011 171 A HN 0.348 nan 8.150 nan 0.000 0.502 172 A N 0.823 123.651 122.820 0.014 0.000 1.851 172 A HA -0.064 4.260 4.320 0.008 0.000 0.216 172 A C 1.117 178.709 177.584 0.012 0.000 1.195 172 A CA 2.032 54.077 52.037 0.013 0.000 0.622 172 A CB -0.455 18.550 19.000 0.008 0.000 0.831 172 A HN 0.813 nan 8.150 nan 0.000 0.444 173 D N -0.523 119.880 120.400 0.005 0.000 2.499 173 D HA 0.253 4.898 4.640 0.008 0.000 0.225 173 D C 1.005 177.303 176.300 -0.003 0.000 1.124 173 D CA -0.341 53.660 54.000 0.002 0.000 0.938 173 D CB 0.378 41.176 40.800 -0.003 0.000 1.014 173 D HN 0.109 nan 8.370 nan 0.000 0.517 174 K N 2.042 122.445 120.400 0.005 0.000 2.015 174 K HA -0.240 4.084 4.320 0.008 0.000 0.220 174 K C 1.819 178.405 176.600 -0.024 0.000 1.055 174 K CA 1.588 57.874 56.287 -0.001 0.000 0.951 174 K CB -1.008 31.505 32.500 0.022 0.000 0.725 174 K HN 0.422 nan 8.250 nan 0.000 0.449 175 A N 1.587 124.399 122.820 -0.014 0.000 1.948 175 A HA -0.120 4.204 4.320 0.008 0.000 0.220 175 A C 2.459 180.022 177.584 -0.034 0.000 1.177 175 A CA 2.418 54.441 52.037 -0.022 0.000 0.636 175 A CB -0.700 18.296 19.000 -0.006 0.000 0.815 175 A HN 0.423 nan 8.150 nan 0.000 0.449 176 A N -1.764 121.039 122.820 -0.027 0.000 2.067 176 A HA -0.058 4.266 4.320 0.008 0.000 0.219 176 A C 2.236 179.794 177.584 -0.044 0.000 1.158 176 A CA 1.516 53.535 52.037 -0.030 0.000 0.661 176 A CB -0.988 18.000 19.000 -0.020 0.000 0.801 176 A HN 0.731 nan 8.150 nan 0.000 0.452 177 c N -1.673 116.894 118.600 -0.055 0.000 2.823 177 c HA 0.219 4.793 4.570 0.008 0.000 0.284 177 c C 2.339 176.357 174.090 -0.120 0.000 1.358 177 c CA 0.880 57.163 56.329 -0.076 0.000 1.697 177 c CB -1.090 41.380 42.510 -0.068 0.000 2.137 177 c HN 0.548 nan 8.230 nan 0.000 0.564 178 L N 1.065 122.197 121.223 -0.151 0.000 1.989 178 L HA -0.037 4.308 4.340 0.008 0.000 0.211 178 L C 2.275 179.021 176.870 -0.207 0.000 1.071 178 L CA 1.938 56.632 54.840 -0.243 0.000 0.749 178 L CB -1.000 40.889 42.059 -0.284 0.000 0.890 178 L HN 0.303 nan 8.230 nan 0.000 0.431 179 L N 0.422 121.568 121.223 -0.129 0.000 1.978 179 L HA -0.200 4.144 4.340 0.008 0.000 0.218 179 L C -0.357 176.459 176.870 -0.090 0.000 1.075 179 L CA 2.778 57.564 54.840 -0.090 0.000 0.767 179 L CB -2.326 39.703 42.059 -0.051 0.000 0.890 179 L HN 0.295 nan 8.230 nan 0.000 0.434 180 P HA -0.189 nan 4.420 nan 0.000 0.220 180 P C 1.378 178.622 177.300 -0.094 0.000 1.148 180 P CA 1.537 64.596 63.100 -0.069 0.000 0.803 180 P CB 0.014 31.682 31.700 -0.053 0.000 0.782 181 K N -0.371 119.944 120.400 -0.141 0.000 2.103 181 K HA 0.012 4.336 4.320 0.008 0.000 0.204 181 K C 2.367 178.828 176.600 -0.231 0.000 1.052 181 K CA 0.877 57.053 56.287 -0.186 0.000 0.945 181 K CB -0.462 31.893 32.500 -0.242 0.000 0.722 181 K HN 0.158 nan 8.250 nan 0.000 0.443 182 L N 1.075 122.160 121.223 -0.230 0.000 2.056 182 L HA -0.192 4.152 4.340 0.008 0.000 0.207 182 L C 1.828 178.641 176.870 -0.094 0.000 1.078 182 L CA 1.055 55.779 54.840 -0.194 0.000 0.749 182 L CB -0.361 41.631 42.059 -0.112 0.000 0.901 182 L HN 0.195 nan 8.230 nan 0.000 0.433 183 D N -0.259 120.099 120.400 -0.070 0.000 2.178 183 D HA -0.206 4.439 4.640 0.008 0.000 0.202 183 D C 1.999 178.281 176.300 -0.029 0.000 0.974 183 D CA 1.055 55.035 54.000 -0.033 0.000 0.841 183 D CB 0.200 40.984 40.800 -0.026 0.000 0.953 183 D HN 0.352 nan 8.370 nan 0.000 0.478 184 E N 0.124 120.293 120.200 -0.052 0.000 2.047 184 E HA -0.122 4.232 4.350 0.008 0.000 0.191 184 E C 2.050 178.648 176.600 -0.004 0.000 0.987 184 E CA 0.507 56.891 56.400 -0.027 0.000 0.799 184 E CB -0.008 29.666 29.700 -0.044 0.000 0.752 184 E HN 0.000 nan 8.360 nan 0.000 0.449 185 L N 1.136 122.314 121.223 -0.075 0.000 2.017 185 L HA -0.143 4.202 4.340 0.008 0.000 0.208 185 L C 2.571 179.479 176.870 0.063 0.000 1.073 185 L CA 1.836 56.652 54.840 -0.040 0.000 0.745 185 L CB -1.370 40.416 42.059 -0.457 0.000 0.894 185 L HN 0.272 nan 8.230 nan 0.000 0.432 186 R N 0.011 120.539 120.500 0.047 0.000 2.097 186 R HA -0.205 4.139 4.340 0.008 0.000 0.236 186 R C 1.950 178.255 176.300 0.008 0.000 1.135 186 R CA 2.100 58.218 56.100 0.029 0.000 0.934 186 R CB -0.152 30.163 30.300 0.025 0.000 0.846 186 R HN 0.338 nan 8.270 nan 0.000 0.431 187 D N 0.356 120.772 120.400 0.027 0.000 2.106 187 D HA -0.186 4.458 4.640 0.008 0.000 0.191 187 D C 1.868 178.221 176.300 0.088 0.000 0.997 187 D CA 1.582 55.606 54.000 0.039 0.000 0.834 187 D CB -0.327 40.486 40.800 0.022 0.000 0.956 187 D HN 0.455 nan 8.370 nan 0.000 0.448 188 E N 0.153 120.439 120.200 0.144 0.000 2.118 188 E HA -0.115 4.239 4.350 0.008 0.000 0.195 188 E C 2.176 178.920 176.600 0.241 0.000 0.992 188 E CA 0.972 57.531 56.400 0.265 0.000 0.804 188 E CB -0.222 29.710 29.700 0.386 0.000 0.741 188 E HN 0.299 nan 8.360 nan 0.000 0.458 189 G N 1.842 110.638 108.800 -0.007 0.000 2.404 189 G HA2 -0.261 3.704 3.960 0.008 0.000 0.215 189 G HA3 -0.261 3.704 3.960 0.008 0.000 0.215 189 G C 1.454 176.281 174.900 -0.122 0.000 1.174 189 G CA 0.535 45.392 45.100 -0.405 0.000 0.780 189 G HN 0.118 nan 8.290 nan 0.000 0.537 190 K N 0.701 121.073 120.400 -0.047 0.000 2.148 190 K HA 0.082 4.406 4.320 0.008 0.000 0.204 190 K C 2.840 179.504 176.600 0.107 0.000 1.050 190 K CA 0.877 57.182 56.287 0.031 0.000 0.942 190 K CB -0.128 32.392 32.500 0.033 0.000 0.724 190 K HN 0.285 nan 8.250 nan 0.000 0.446 191 A N 1.040 123.940 122.820 0.133 0.000 1.897 191 A HA -0.130 4.194 4.320 0.008 0.000 0.215 191 A C 2.264 179.960 177.584 0.186 0.000 1.181 191 A CA 1.722 53.861 52.037 0.169 0.000 0.620 191 A CB -0.544 18.590 19.000 0.223 0.000 0.821 191 A HN 0.246 nan 8.150 nan 0.000 0.443 192 S N -0.605 115.242 115.700 0.246 0.000 2.368 192 S HA -0.152 4.323 4.470 0.008 0.000 0.225 192 S C 2.341 177.064 174.600 0.206 0.000 1.030 192 S CA 1.974 60.333 58.200 0.265 0.000 0.999 192 S CB -0.442 63.043 63.200 0.475 0.000 0.844 192 S HN 0.595 nan 8.310 nan 0.000 0.459 193 S N 0.557 116.448 115.700 0.317 0.000 2.368 193 S HA -0.010 4.465 4.470 0.008 0.000 0.225 193 S C 2.070 176.786 174.600 0.193 0.000 1.030 193 S CA 1.416 59.815 58.200 0.333 0.000 0.999 193 S CB -0.743 62.690 63.200 0.389 0.000 0.844 193 S HN 0.688 nan 8.310 nan 0.000 0.459 194 A N 1.418 124.329 122.820 0.153 0.000 1.902 194 A HA -0.075 4.250 4.320 0.008 0.000 0.217 194 A C 2.108 179.729 177.584 0.061 0.000 1.181 194 A CA 1.570 53.668 52.037 0.102 0.000 0.623 194 A CB -0.547 18.507 19.000 0.089 0.000 0.818 194 A HN 0.626 nan 8.150 nan 0.000 0.443 195 K N -0.410 120.023 120.400 0.055 0.000 2.097 195 K HA -0.182 4.143 4.320 0.008 0.000 0.206 195 K C 2.305 178.893 176.600 -0.020 0.000 1.049 195 K CA 1.580 57.869 56.287 0.003 0.000 0.933 195 K CB -0.224 32.280 32.500 0.006 0.000 0.717 195 K HN 0.614 nan 8.250 nan 0.000 0.442 196 Q N 0.457 120.260 119.800 0.005 0.000 2.050 196 Q HA -0.122 4.223 4.340 0.008 0.000 0.202 196 Q C 2.205 178.206 176.000 0.002 0.000 0.980 196 Q CA 1.311 57.111 55.803 -0.006 0.000 0.840 196 Q CB -0.074 28.651 28.738 -0.022 0.000 0.898 196 Q HN 0.278 nan 8.270 nan 0.000 0.424 197 R N 0.179 120.696 120.500 0.028 0.000 2.092 197 R HA -0.125 4.219 4.340 0.008 0.000 0.231 197 R C 2.310 178.603 176.300 -0.011 0.000 1.119 197 R CA 0.804 56.912 56.100 0.013 0.000 0.970 197 R CB -0.323 30.005 30.300 0.047 0.000 0.864 197 R HN 0.166 nan 8.270 nan 0.000 0.440 198 L N 1.725 122.940 121.223 -0.012 0.000 2.027 198 L HA -0.172 4.173 4.340 0.008 0.000 0.206 198 L C 2.598 179.433 176.870 -0.057 0.000 1.074 198 L CA 2.523 57.346 54.840 -0.028 0.000 0.745 198 L CB -0.741 41.294 42.059 -0.041 0.000 0.898 198 L HN 0.044 nan 8.230 nan 0.000 0.433 199 K N -1.263 119.080 120.400 -0.094 0.000 2.103 199 K HA -0.185 4.140 4.320 0.008 0.000 0.207 199 K C 2.041 178.614 176.600 -0.045 0.000 1.048 199 K CA 1.962 58.183 56.287 -0.110 0.000 0.930 199 K CB -2.038 30.373 32.500 -0.148 0.000 0.716 199 K HN 0.674 nan 8.250 nan 0.000 0.444 200 c N -0.350 118.221 118.600 -0.048 0.000 2.486 200 c HA 0.294 4.869 4.570 0.008 0.000 0.279 200 c C 3.249 177.310 174.090 -0.049 0.000 1.302 200 c CA 0.406 56.697 56.329 -0.063 0.000 1.720 200 c CB -0.486 41.977 42.510 -0.079 0.000 2.030 200 c HN 0.750 nan 8.230 nan 0.000 0.490 201 A N 0.889 123.692 122.820 -0.028 0.000 1.883 201 A HA -0.174 4.150 4.320 0.008 0.000 0.217 201 A C 2.262 179.874 177.584 0.047 0.000 1.186 201 A CA 2.449 54.482 52.037 -0.006 0.000 0.624 201 A CB -0.884 18.122 19.000 0.011 0.000 0.822 201 A HN 0.550 nan 8.150 nan 0.000 0.444 202 S N -0.536 115.227 115.700 0.105 0.000 2.368 202 S HA -0.137 4.337 4.470 0.008 0.000 0.225 202 S C 1.777 176.527 174.600 0.250 0.000 1.030 202 S CA 1.394 59.760 58.200 0.276 0.000 0.999 202 S CB -0.426 62.858 63.200 0.139 0.000 0.844 202 S HN 0.469 nan 8.310 nan 0.000 0.459 203 L N 1.756 123.038 121.223 0.097 0.000 2.353 203 L HA -0.066 4.278 4.340 0.008 0.000 0.220 203 L C 2.501 179.359 176.870 -0.021 0.000 1.133 203 L CA 1.989 56.827 54.840 -0.003 0.000 0.798 203 L CB -0.986 40.931 42.059 -0.237 0.000 0.922 203 L HN 0.416 nan 8.230 nan 0.000 0.445 204 Q N -0.629 119.157 119.800 -0.023 0.000 2.226 204 Q HA -0.061 4.284 4.340 0.008 0.000 0.199 204 Q C 2.234 178.180 176.000 -0.091 0.000 0.945 204 Q CA 1.279 57.047 55.803 -0.058 0.000 0.861 204 Q CB -0.513 28.184 28.738 -0.068 0.000 0.953 204 Q HN 0.613 nan 8.270 nan 0.000 0.490 205 K N -0.407 119.905 120.400 -0.146 0.000 1.991 205 K HA 0.081 4.406 4.320 0.008 0.000 0.207 205 K C 1.695 178.027 176.600 -0.447 0.000 1.045 205 K CA 1.498 57.550 56.287 -0.392 0.000 0.937 205 K CB -0.068 31.993 32.500 -0.732 0.000 0.720 205 K HN 0.462 nan 8.250 nan 0.000 0.438 206 F N 0.707 120.662 119.950 0.009 0.000 2.789 206 F HA 0.217 4.748 4.527 0.007 0.000 0.300 206 F C 1.248 177.069 175.800 0.035 0.000 1.132 206 F CA 0.241 58.256 58.000 0.026 0.000 1.404 206 F CB 0.001 39.023 39.000 0.037 0.000 1.114 206 F HN 0.188 nan 8.300 nan 0.000 0.584 207 G N 0.760 109.650 108.800 0.150 0.000 2.796 207 G HA2 -0.294 3.671 3.960 0.008 0.000 0.571 207 G HA3 -0.294 3.671 3.960 0.008 0.000 0.571 207 G C 0.488 175.469 174.900 0.136 0.000 1.370 207 G CA 0.040 45.200 45.100 0.101 0.000 0.856 207 G HN 0.287 nan 8.290 nan 0.000 0.538 208 E N -0.434 119.820 120.200 0.090 0.000 2.051 208 E HA -0.163 4.191 4.350 0.008 0.000 0.192 208 E C 2.567 179.279 176.600 0.187 0.000 0.991 208 E CA 1.368 57.835 56.400 0.113 0.000 0.799 208 E CB -0.092 29.643 29.700 0.059 0.000 0.748 208 E HN 0.507 nan 8.360 nan 0.000 0.449 209 R N -0.013 120.577 120.500 0.151 0.000 2.080 209 R HA -0.198 4.147 4.340 0.008 0.000 0.236 209 R C 2.278 178.682 176.300 0.174 0.000 1.137 209 R CA 1.496 57.687 56.100 0.152 0.000 0.943 209 R CB -0.406 29.968 30.300 0.123 0.000 0.846 209 R HN 0.226 nan 8.270 nan 0.000 0.431 210 A N 0.331 123.260 122.820 0.182 0.000 1.908 210 A HA -0.223 4.102 4.320 0.008 0.000 0.218 210 A C 2.020 179.716 177.584 0.186 0.000 1.181 210 A CA 1.492 53.626 52.037 0.161 0.000 0.627 210 A CB -0.809 18.286 19.000 0.159 0.000 0.818 210 A HN 0.534 nan 8.150 nan 0.000 0.445 211 F N 0.670 120.671 119.950 0.085 0.000 2.102 211 F HA -0.145 4.386 4.527 0.008 0.000 0.298 211 F C 2.200 178.080 175.800 0.134 0.000 1.105 211 F CA 2.178 60.223 58.000 0.074 0.000 1.239 211 F CB -0.140 38.877 39.000 0.028 0.000 0.991 211 F HN 0.114 nan 8.300 nan 0.000 0.474 212 K N 0.054 120.628 120.400 0.291 0.000 2.147 212 K HA -0.144 4.181 4.320 0.008 0.000 0.205 212 K C 2.228 178.885 176.600 0.095 0.000 1.049 212 K CA 1.080 57.480 56.287 0.189 0.000 0.936 212 K CB -0.469 32.150 32.500 0.199 0.000 0.722 212 K HN 0.373 nan 8.250 nan 0.000 0.446 213 A N 0.563 123.445 122.820 0.104 0.000 1.897 213 A HA -0.169 4.155 4.320 0.008 0.000 0.215 213 A C 1.896 179.488 177.584 0.012 0.000 1.181 213 A CA 0.947 53.027 52.037 0.072 0.000 0.620 213 A CB -0.797 18.251 19.000 0.081 0.000 0.821 213 A HN 0.556 nan 8.150 nan 0.000 0.443 214 W N 0.679 121.872 121.300 -0.178 0.000 2.358 214 W HA -0.153 4.511 4.660 0.006 0.000 0.303 214 W C 2.446 178.802 176.519 -0.272 0.000 1.208 214 W CA 2.358 59.555 57.345 -0.248 0.000 1.274 214 W CB -0.048 29.200 29.460 -0.353 0.000 1.138 214 W HN 0.355 nan 8.180 nan 0.000 0.515 215 A N -0.591 122.215 122.820 -0.024 0.000 1.898 215 A HA -0.148 4.176 4.320 0.008 0.000 0.216 215 A C 1.985 179.502 177.584 -0.112 0.000 1.181 215 A CA 2.011 54.005 52.037 -0.071 0.000 0.620 215 A CB -1.205 17.754 19.000 -0.068 0.000 0.819 215 A HN 0.147 nan 8.150 nan 0.000 0.442 216 V N -0.016 119.866 119.914 -0.052 0.000 2.287 216 V HA -0.286 3.838 4.120 0.008 0.000 0.248 216 V C 3.074 179.125 176.094 -0.071 0.000 1.053 216 V CA 2.078 64.378 62.300 -0.000 0.000 1.027 216 V CB -1.238 30.642 31.823 0.095 0.000 0.646 216 V HN 0.625 nan 8.190 nan 0.000 0.447 217 A N 0.121 122.835 122.820 -0.176 0.000 1.858 217 A HA -0.275 4.050 4.320 0.008 0.000 0.216 217 A C 2.298 179.667 177.584 -0.357 0.000 1.190 217 A CA 2.279 54.159 52.037 -0.262 0.000 0.617 217 A CB -0.593 18.200 19.000 -0.346 0.000 0.827 217 A HN 0.452 nan 8.150 nan 0.000 0.443 218 R N 0.032 120.209 120.500 -0.539 0.000 2.083 218 R HA -0.033 4.312 4.340 0.008 0.000 0.237 218 R C 1.914 177.980 176.300 -0.391 0.000 1.137 218 R CA 1.769 57.527 56.100 -0.570 0.000 0.951 218 R CB -0.827 28.995 30.300 -0.796 0.000 0.851 218 R HN 0.522 nan 8.270 nan 0.000 0.434 219 L N -0.173 120.873 121.223 -0.295 0.000 2.201 219 L HA -0.069 4.276 4.340 0.008 0.000 0.212 219 L C 2.026 178.759 176.870 -0.229 0.000 1.105 219 L CA 1.195 55.857 54.840 -0.296 0.000 0.775 219 L CB -0.248 41.755 42.059 -0.093 0.000 0.913 219 L HN 0.222 nan 8.230 nan 0.000 0.440 220 S N -0.707 114.918 115.700 -0.125 0.000 2.436 220 S HA -0.129 4.345 4.470 0.008 0.000 0.228 220 S C 1.872 176.367 174.600 -0.174 0.000 1.014 220 S CA 0.830 58.990 58.200 -0.066 0.000 0.950 220 S CB 0.033 63.207 63.200 -0.043 0.000 0.784 220 S HN 0.477 nan 8.310 nan 0.000 0.504 221 Q N 0.560 120.221 119.800 -0.232 0.000 2.137 221 Q HA 0.065 4.410 4.340 0.008 0.000 0.198 221 Q C 2.384 178.247 176.000 -0.229 0.000 0.960 221 Q CA 0.694 56.360 55.803 -0.228 0.000 0.847 221 Q CB -0.077 28.520 28.738 -0.235 0.000 0.915 221 Q HN 0.350 nan 8.270 nan 0.000 0.448 222 R N 0.074 120.368 120.500 -0.343 0.000 2.062 222 R HA -0.055 4.290 4.340 0.008 0.000 0.231 222 R C 0.032 176.171 176.300 -0.268 0.000 1.136 222 R CA 0.952 56.777 56.100 -0.458 0.000 0.948 222 R CB 0.252 30.017 30.300 -0.891 0.000 0.845 222 R HN 0.111 nan 8.270 nan 0.000 0.430 223 F N 1.256 121.185 119.950 -0.036 0.000 2.434 223 F HA 0.337 4.869 4.527 0.009 0.000 0.316 223 F C -1.663 174.134 175.800 -0.005 0.000 1.222 223 F CA -3.223 54.770 58.000 -0.012 0.000 1.207 223 F CB 1.144 40.153 39.000 0.016 0.000 1.466 223 F HN 0.035 nan 8.300 nan 0.000 0.545 224 P HA -0.158 nan 4.420 nan 0.000 0.225 224 P C 0.828 178.146 177.300 0.030 0.000 1.148 224 P CA 1.282 64.370 63.100 -0.019 0.000 0.779 224 P CB 0.347 31.991 31.700 -0.095 0.000 0.780 225 K N -0.623 119.828 120.400 0.085 0.000 2.379 225 K HA 0.236 4.561 4.320 0.008 0.000 0.194 225 K C 1.160 177.835 176.600 0.126 0.000 1.031 225 K CA -0.149 56.186 56.287 0.079 0.000 1.037 225 K CB 0.159 32.685 32.500 0.044 0.000 0.824 225 K HN 0.056 nan 8.250 nan 0.000 0.516 226 A N 1.897 124.822 122.820 0.176 0.000 2.445 226 A HA 0.059 4.384 4.320 0.008 0.000 0.242 226 A C -0.211 177.514 177.584 0.235 0.000 1.075 226 A CA -0.175 51.962 52.037 0.167 0.000 0.777 226 A CB 0.211 19.314 19.000 0.173 0.000 1.013 226 A HN 0.190 nan 8.150 nan 0.000 0.493 227 E N -0.023 120.252 120.200 0.125 0.000 2.390 227 E HA 0.225 4.579 4.350 0.008 0.000 0.261 227 E C 0.459 177.013 176.600 -0.077 0.000 1.076 227 E CA -0.060 56.389 56.400 0.081 0.000 0.905 227 E CB 0.323 30.051 29.700 0.047 0.000 0.984 227 E HN 0.568 nan 8.360 nan 0.000 0.427 228 F N 3.099 122.760 119.950 -0.482 0.000 2.202 228 F HA -0.172 4.360 4.527 0.008 0.000 0.301 228 F C 1.742 177.381 175.800 -0.269 0.000 1.082 228 F CA 1.811 59.371 58.000 -0.733 0.000 1.313 228 F CB -0.182 38.336 39.000 -0.804 0.000 1.024 228 F HN 0.533 nan 8.300 nan 0.000 0.495 229 A N -0.544 122.131 122.820 -0.242 0.000 2.015 229 A HA -0.148 4.177 4.320 0.008 0.000 0.219 229 A C 2.030 179.495 177.584 -0.199 0.000 1.163 229 A CA 1.604 53.507 52.037 -0.223 0.000 0.646 229 A CB -0.695 18.283 19.000 -0.037 0.000 0.806 229 A HN 0.451 nan 8.150 nan 0.000 0.448 230 E N -0.246 119.875 120.200 -0.132 0.000 2.112 230 E HA -0.056 4.299 4.350 0.008 0.000 0.190 230 E C 1.800 178.370 176.600 -0.051 0.000 0.979 230 E CA 1.264 57.641 56.400 -0.039 0.000 0.814 230 E CB -0.256 29.451 29.700 0.012 0.000 0.762 230 E HN 0.225 nan 8.360 nan 0.000 0.460 231 V N 0.275 120.117 119.914 -0.120 0.000 2.427 231 V HA -0.209 3.916 4.120 0.008 0.000 0.248 231 V C 2.227 178.211 176.094 -0.183 0.000 1.051 231 V CA 1.845 64.101 62.300 -0.073 0.000 1.048 231 V CB -0.520 31.289 31.823 -0.023 0.000 0.666 231 V HN 0.233 nan 8.190 nan 0.000 0.456 232 S N -0.378 115.065 115.700 -0.429 0.000 2.368 232 S HA -0.216 4.258 4.470 0.008 0.000 0.225 232 S C 2.076 176.577 174.600 -0.165 0.000 1.030 232 S CA 1.382 59.361 58.200 -0.367 0.000 0.999 232 S CB -0.320 62.559 63.200 -0.535 0.000 0.844 232 S HN 0.458 nan 8.310 nan 0.000 0.459 233 K N 1.663 121.976 120.400 -0.145 0.000 2.009 233 K HA -0.045 4.280 4.320 0.008 0.000 0.210 233 K C 1.970 178.528 176.600 -0.070 0.000 1.049 233 K CA 1.335 57.562 56.287 -0.100 0.000 0.929 233 K CB -0.633 31.817 32.500 -0.083 0.000 0.714 233 K HN 0.374 nan 8.250 nan 0.000 0.440 234 L N 0.634 121.852 121.223 -0.009 0.000 2.141 234 L HA -0.135 4.209 4.340 0.008 0.000 0.209 234 L C 2.493 179.406 176.870 0.070 0.000 1.094 234 L CA 0.558 55.432 54.840 0.056 0.000 0.763 234 L CB -0.361 41.789 42.059 0.151 0.000 0.908 234 L HN -0.077 nan 8.230 nan 0.000 0.437 235 V N -0.536 119.407 119.914 0.049 0.000 2.515 235 V HA -0.230 3.895 4.120 0.008 0.000 0.250 235 V C 2.527 178.684 176.094 0.105 0.000 1.058 235 V CA 2.098 64.448 62.300 0.083 0.000 1.064 235 V CB -0.524 31.328 31.823 0.047 0.000 0.675 235 V HN 0.466 nan 8.190 nan 0.000 0.461 236 T N -0.172 114.409 114.554 0.046 0.000 2.701 236 T HA -0.169 4.185 4.350 0.008 0.000 0.263 236 T C 1.649 176.372 174.700 0.038 0.000 1.040 236 T CA 1.725 63.847 62.100 0.037 0.000 1.147 236 T CB -0.347 68.515 68.868 -0.011 0.000 0.865 236 T HN 0.466 nan 8.240 nan 0.000 0.426 237 D N 1.111 121.517 120.400 0.009 0.000 2.144 237 D HA 0.010 4.655 4.640 0.008 0.000 0.199 237 D C 2.099 178.433 176.300 0.057 0.000 0.984 237 D CA 0.581 54.581 54.000 -0.000 0.000 0.834 237 D CB -0.451 40.320 40.800 -0.049 0.000 0.955 237 D HN 0.269 nan 8.370 nan 0.000 0.465 238 L N 0.593 121.892 121.223 0.126 0.000 2.191 238 L HA -0.142 4.203 4.340 0.008 0.000 0.212 238 L C 2.258 179.331 176.870 0.339 0.000 1.103 238 L CA 1.022 56.006 54.840 0.241 0.000 0.769 238 L CB -0.312 41.926 42.059 0.298 0.000 0.908 238 L HN 0.065 nan 8.230 nan 0.000 0.438 239 T N -1.456 113.257 114.554 0.264 0.000 2.812 239 T HA -0.200 4.155 4.350 0.008 0.000 0.264 239 T C 2.083 176.790 174.700 0.012 0.000 1.042 239 T CA 1.459 63.661 62.100 0.170 0.000 1.140 239 T CB -0.014 68.949 68.868 0.159 0.000 0.870 239 T HN 0.144 nan 8.240 nan 0.000 0.445 240 K N 1.051 121.461 120.400 0.017 0.000 2.002 240 K HA -0.079 4.246 4.320 0.008 0.000 0.209 240 K C 2.419 178.993 176.600 -0.044 0.000 1.048 240 K CA 1.316 57.588 56.287 -0.025 0.000 0.930 240 K CB -1.157 31.330 32.500 -0.022 0.000 0.714 240 K HN 0.305 nan 8.250 nan 0.000 0.438 241 V N 1.297 121.184 119.914 -0.046 0.000 2.250 241 V HA -0.311 3.813 4.120 0.008 0.000 0.250 241 V C 2.662 178.625 176.094 -0.218 0.000 1.060 241 V CA 2.478 64.695 62.300 -0.138 0.000 1.030 241 V CB -0.836 30.872 31.823 -0.191 0.000 0.643 241 V HN 0.636 nan 8.190 nan 0.000 0.445 242 H N -0.522 118.504 119.070 -0.073 0.000 2.462 242 H HA -0.068 4.493 4.556 0.008 0.000 0.292 242 H C 2.447 177.670 175.328 -0.175 0.000 1.049 242 H CA 1.705 57.678 56.048 -0.126 0.000 1.334 242 H CB -0.233 29.451 29.762 -0.130 0.000 1.404 242 H HN 0.445 nan 8.280 nan 0.000 0.544 243 T N 1.319 115.815 114.554 -0.097 0.000 2.674 243 T HA -0.121 4.234 4.350 0.008 0.000 0.265 243 T C 1.881 176.553 174.700 -0.048 0.000 1.039 243 T CA 1.285 63.316 62.100 -0.113 0.000 1.150 243 T CB 0.057 68.853 68.868 -0.120 0.000 0.864 243 T HN 0.516 nan 8.240 nan 0.000 0.427 244 E N 0.794 120.974 120.200 -0.032 0.000 2.051 244 E HA -0.108 4.247 4.350 0.008 0.000 0.192 244 E C 2.593 179.232 176.600 0.065 0.000 0.991 244 E CA 1.118 57.537 56.400 0.030 0.000 0.799 244 E CB -0.779 28.930 29.700 0.015 0.000 0.748 244 E HN 0.494 nan 8.360 nan 0.000 0.449 245 c N 0.988 119.582 118.600 -0.010 0.000 2.419 245 c HA -0.093 4.482 4.570 0.008 0.000 0.281 245 c C 2.970 177.087 174.090 0.044 0.000 1.336 245 c CA 0.150 56.476 56.329 -0.004 0.000 1.770 245 c CB -1.122 41.302 42.510 -0.143 0.000 1.929 245 c HN 0.533 nan 8.230 nan 0.000 0.509 246 c N -1.194 117.422 118.600 0.028 0.000 2.464 246 c HA -0.084 4.490 4.570 0.008 0.000 0.278 246 c C 2.603 176.709 174.090 0.027 0.000 1.375 246 c CA 0.643 56.972 56.329 0.000 0.000 1.761 246 c CB -1.741 40.746 42.510 -0.039 0.000 1.944 246 c HN 0.698 nan 8.230 nan 0.000 0.509 247 H N 0.209 119.263 119.070 -0.027 0.000 2.489 247 H HA -0.013 4.547 4.556 0.007 0.000 0.293 247 H C 1.942 177.317 175.328 0.079 0.000 1.066 247 H CA 1.219 57.268 56.048 0.002 0.000 1.305 247 H CB -0.026 29.744 29.762 0.014 0.000 1.386 247 H HN 0.559 nan 8.280 nan 0.000 0.551 248 G N 0.798 109.662 108.800 0.108 0.000 2.195 248 G HA2 -0.237 3.727 3.960 0.008 0.000 0.224 248 G HA3 -0.237 3.727 3.960 0.008 0.000 0.224 248 G C 0.027 175.004 174.900 0.129 0.000 0.990 248 G CA 0.235 45.444 45.100 0.181 0.000 0.639 248 G HN 0.516 nan 8.290 nan 0.000 0.514 249 D N 1.330 121.802 120.400 0.120 0.000 2.383 249 D HA 0.296 4.941 4.640 0.008 0.000 0.245 249 D C 1.776 178.174 176.300 0.164 0.000 1.263 249 D CA -0.251 53.852 54.000 0.172 0.000 0.936 249 D CB 0.758 41.688 40.800 0.216 0.000 1.053 249 D HN 0.176 nan 8.370 nan 0.000 0.507 250 L N 5.588 126.887 121.223 0.126 0.000 1.990 250 L HA -0.217 4.128 4.340 0.008 0.000 0.213 250 L C 1.950 178.861 176.870 0.069 0.000 1.072 250 L CA 1.789 56.684 54.840 0.092 0.000 0.755 250 L CB -0.640 41.405 42.059 -0.023 0.000 0.889 250 L HN 0.516 nan 8.230 nan 0.000 0.432 251 L N -0.710 120.504 121.223 -0.014 0.000 1.989 251 L HA -0.204 4.141 4.340 0.008 0.000 0.211 251 L C 2.769 179.684 176.870 0.074 0.000 1.071 251 L CA 1.542 56.355 54.840 -0.046 0.000 0.749 251 L CB -0.836 41.063 42.059 -0.268 0.000 0.890 251 L HN 0.377 nan 8.230 nan 0.000 0.431 252 E N -0.328 119.969 120.200 0.161 0.000 2.038 252 E HA -0.296 4.059 4.350 0.008 0.000 0.195 252 E C 2.291 178.950 176.600 0.097 0.000 1.000 252 E CA 1.762 58.251 56.400 0.149 0.000 0.803 252 E CB -0.515 29.286 29.700 0.169 0.000 0.750 252 E HN 0.563 nan 8.360 nan 0.000 0.448 253 c N 0.780 119.443 118.600 0.105 0.000 2.398 253 c HA -0.163 4.412 4.570 0.008 0.000 0.276 253 c C 2.891 177.029 174.090 0.080 0.000 1.222 253 c CA 1.731 58.099 56.329 0.065 0.000 1.746 253 c CB -1.143 41.428 42.510 0.101 0.000 2.039 253 c HN 0.493 nan 8.230 nan 0.000 0.470 254 A N 0.139 123.066 122.820 0.180 0.000 1.908 254 A HA -0.187 4.137 4.320 0.008 0.000 0.218 254 A C 1.936 179.588 177.584 0.113 0.000 1.181 254 A CA 2.302 54.463 52.037 0.206 0.000 0.627 254 A CB -0.744 18.350 19.000 0.157 0.000 0.818 254 A HN 0.707 nan 8.150 nan 0.000 0.445 255 D N -0.055 120.392 120.400 0.078 0.000 2.149 255 D HA -0.098 4.546 4.640 0.008 0.000 0.201 255 D C 1.309 177.634 176.300 0.042 0.000 0.972 255 D CA 1.186 55.221 54.000 0.059 0.000 0.835 255 D CB -0.381 40.450 40.800 0.051 0.000 0.966 255 D HN 0.362 nan 8.370 nan 0.000 0.476 256 D N 0.720 121.136 120.400 0.026 0.000 2.117 256 D HA -0.095 4.549 4.640 0.008 0.000 0.197 256 D C 2.169 178.466 176.300 -0.006 0.000 0.987 256 D CA 0.671 54.672 54.000 0.001 0.000 0.829 256 D CB -0.083 40.704 40.800 -0.022 0.000 0.961 256 D HN 0.209 nan 8.370 nan 0.000 0.460 257 R N 0.643 121.132 120.500 -0.019 0.000 2.096 257 R HA -0.023 4.321 4.340 0.008 0.000 0.235 257 R C 2.288 178.608 176.300 0.034 0.000 1.127 257 R CA 1.119 57.205 56.100 -0.023 0.000 0.968 257 R CB -0.230 30.033 30.300 -0.062 0.000 0.861 257 R HN 0.091 nan 8.270 nan 0.000 0.440 258 A N 1.656 124.510 122.820 0.057 0.000 1.858 258 A HA -0.190 4.134 4.320 0.008 0.000 0.216 258 A C 1.634 179.258 177.584 0.068 0.000 1.190 258 A CA 1.699 53.779 52.037 0.071 0.000 0.617 258 A CB -0.410 18.637 19.000 0.079 0.000 0.827 258 A HN 0.153 nan 8.150 nan 0.000 0.443 259 D N -0.399 120.036 120.400 0.059 0.000 2.123 259 D HA -0.148 4.497 4.640 0.008 0.000 0.196 259 D C 1.843 178.200 176.300 0.094 0.000 0.992 259 D CA 1.385 55.425 54.000 0.067 0.000 0.833 259 D CB -0.399 40.428 40.800 0.044 0.000 0.954 259 D HN 0.326 nan 8.370 nan 0.000 0.455 260 L N 1.057 122.326 121.223 0.077 0.000 2.017 260 L HA -0.072 4.272 4.340 0.008 0.000 0.208 260 L C 2.174 179.127 176.870 0.139 0.000 1.073 260 L CA 1.782 56.688 54.840 0.109 0.000 0.745 260 L CB -0.849 41.249 42.059 0.066 0.000 0.894 260 L HN -0.034 nan 8.230 nan 0.000 0.432 261 A N -0.623 122.253 122.820 0.093 0.000 1.972 261 A HA -0.262 4.063 4.320 0.008 0.000 0.219 261 A C 2.442 180.064 177.584 0.063 0.000 1.169 261 A CA 1.938 54.020 52.037 0.075 0.000 0.635 261 A CB -0.612 18.428 19.000 0.065 0.000 0.810 261 A HN 0.549 nan 8.150 nan 0.000 0.446 262 K N -1.690 118.756 120.400 0.078 0.000 2.025 262 K HA -0.205 4.119 4.320 0.008 0.000 0.207 262 K C 1.980 178.613 176.600 0.054 0.000 1.049 262 K CA 1.682 58.007 56.287 0.062 0.000 0.933 262 K CB -0.462 32.084 32.500 0.076 0.000 0.714 262 K HN 0.447 nan 8.250 nan 0.000 0.438 263 Y N 1.653 121.952 120.300 -0.002 0.000 2.128 263 Y HA -0.213 4.342 4.550 0.007 0.000 0.284 263 Y C 1.835 177.717 175.900 -0.030 0.000 1.154 263 Y CA 1.803 59.896 58.100 -0.012 0.000 1.149 263 Y CB -0.201 38.254 38.460 -0.008 0.000 0.976 263 Y HN 0.052 nan 8.280 nan 0.000 0.505 264 I N -1.102 119.417 120.570 -0.085 0.000 2.226 264 I HA -0.386 3.788 4.170 0.008 0.000 0.245 264 I C 2.457 178.439 176.117 -0.225 0.000 1.100 264 I CA 1.360 62.549 61.300 -0.185 0.000 1.374 264 I CB -0.601 37.374 38.000 -0.042 0.000 1.057 264 I HN 0.342 nan 8.210 nan 0.000 0.413 265 c N 0.489 119.008 118.600 -0.135 0.000 2.440 265 c HA -0.120 4.454 4.570 0.008 0.000 0.278 265 c C 2.587 176.595 174.090 -0.138 0.000 1.295 265 c CA 0.681 56.943 56.329 -0.112 0.000 1.738 265 c CB -1.030 41.447 42.510 -0.054 0.000 1.987 265 c HN 0.480 nan 8.230 nan 0.000 0.492 266 E N 0.467 120.567 120.200 -0.165 0.000 2.204 266 E HA -0.101 4.254 4.350 0.008 0.000 0.194 266 E C 1.019 177.492 176.600 -0.213 0.000 0.989 266 E CA 0.785 57.089 56.400 -0.160 0.000 0.824 266 E CB -0.199 29.418 29.700 -0.138 0.000 0.756 266 E HN 0.740 nan 8.360 nan 0.000 0.477 267 N N 0.497 119.001 118.700 -0.327 0.000 2.238 267 N HA 0.010 4.754 4.740 0.008 0.000 0.222 267 N C 1.155 176.514 175.510 -0.251 0.000 1.133 267 N CA -0.210 52.649 53.050 -0.319 0.000 0.854 267 N CB 0.397 38.581 38.487 -0.506 0.000 1.041 267 N HN 0.099 nan 8.380 nan 0.000 0.510 268 Q N 1.521 121.194 119.800 -0.211 0.000 2.182 268 Q HA -0.260 4.085 4.340 0.008 0.000 0.213 268 Q C 0.443 176.352 176.000 -0.152 0.000 1.000 268 Q CA 2.351 58.047 55.803 -0.179 0.000 0.889 268 Q CB 0.057 28.719 28.738 -0.126 0.000 0.932 268 Q HN 0.459 nan 8.270 nan 0.000 0.415 269 D N -0.773 119.556 120.400 -0.117 0.000 2.224 269 D HA -0.098 4.547 4.640 0.008 0.000 0.205 269 D C 1.518 177.767 176.300 -0.085 0.000 0.965 269 D CA 1.116 55.064 54.000 -0.086 0.000 0.852 269 D CB -0.177 40.584 40.800 -0.064 0.000 0.947 269 D HN 0.095 nan 8.370 nan 0.000 0.494 270 S N -1.050 114.587 115.700 -0.105 0.000 2.634 270 S HA 0.205 4.679 4.470 0.008 0.000 0.221 270 S C 1.041 175.577 174.600 -0.107 0.000 0.952 270 S CA -0.182 57.967 58.200 -0.085 0.000 0.930 270 S CB -0.224 62.927 63.200 -0.081 0.000 0.780 270 S HN 0.246 nan 8.310 nan 0.000 0.498 271 I N -0.940 119.527 120.570 -0.172 0.000 3.669 271 I HA 0.332 4.507 4.170 0.008 0.000 0.255 271 I C 0.432 176.390 176.117 -0.264 0.000 1.144 271 I CA -0.194 60.937 61.300 -0.281 0.000 1.447 271 I CB 0.603 38.297 38.000 -0.509 0.000 1.622 271 I HN 0.244 nan 8.210 nan 0.000 0.435 272 S N -0.342 115.200 115.700 -0.263 0.000 2.537 272 S HA 0.307 4.781 4.470 0.008 0.000 0.270 272 S C 0.411 174.969 174.600 -0.071 0.000 1.142 272 S CA -0.073 58.066 58.200 -0.101 0.000 0.870 272 S CB 1.619 64.804 63.200 -0.025 0.000 1.112 272 S HN 0.278 nan 8.310 nan 0.000 0.466 273 S N 2.709 118.397 115.700 -0.021 0.000 2.501 273 S HA 0.155 4.629 4.470 0.008 0.000 0.220 273 S C 0.844 175.437 174.600 -0.012 0.000 0.997 273 S CA 0.033 58.219 58.200 -0.023 0.000 0.919 273 S CB -0.315 62.877 63.200 -0.014 0.000 0.778 273 S HN 0.703 nan 8.310 nan 0.000 0.523 274 K N 1.163 121.569 120.400 0.009 0.000 2.551 274 K HA 0.308 4.633 4.320 0.008 0.000 0.204 274 K C 0.408 177.019 176.600 0.019 0.000 1.033 274 K CA 0.026 56.324 56.287 0.018 0.000 1.187 274 K CB -0.235 32.286 32.500 0.034 0.000 0.900 274 K HN 0.424 nan 8.250 nan 0.000 0.499 275 L N -0.067 121.153 121.223 -0.005 0.000 2.607 275 L HA 0.092 4.437 4.340 0.008 0.000 0.228 275 L C 2.029 178.889 176.870 -0.016 0.000 1.123 275 L CA 0.021 54.853 54.840 -0.012 0.000 0.890 275 L CB -0.092 41.931 42.059 -0.060 0.000 1.103 275 L HN 0.093 nan 8.230 nan 0.000 0.468 276 K N 1.158 121.549 120.400 -0.015 0.000 1.987 276 K HA -0.284 4.040 4.320 0.008 0.000 0.216 276 K C 1.974 178.573 176.600 -0.003 0.000 1.051 276 K CA 2.184 58.463 56.287 -0.013 0.000 0.942 276 K CB -0.014 32.480 32.500 -0.010 0.000 0.722 276 K HN 0.277 nan 8.250 nan 0.000 0.444 277 E N 0.118 120.321 120.200 0.005 0.000 2.035 277 E HA -0.280 4.075 4.350 0.008 0.000 0.204 277 E C 2.064 178.674 176.600 0.017 0.000 1.025 277 E CA 2.117 58.525 56.400 0.013 0.000 0.835 277 E CB -0.232 29.478 29.700 0.017 0.000 0.764 277 E HN 0.464 nan 8.360 nan 0.000 0.457 278 c N 0.437 119.048 118.600 0.018 0.000 2.396 278 c HA -0.210 4.365 4.570 0.008 0.000 0.277 278 c C 2.853 176.955 174.090 0.020 0.000 1.231 278 c CA 0.845 57.187 56.329 0.023 0.000 1.775 278 c CB -1.113 41.410 42.510 0.022 0.000 2.036 278 c HN 0.647 nan 8.230 nan 0.000 0.484 279 c N 0.043 118.647 118.600 0.007 0.000 2.500 279 c HA 0.112 4.687 4.570 0.008 0.000 0.273 279 c C 2.777 176.871 174.090 0.006 0.000 1.428 279 c CA 1.175 57.505 56.329 0.001 0.000 1.766 279 c CB -1.683 40.816 42.510 -0.018 0.000 1.817 279 c HN 0.815 nan 8.230 nan 0.000 0.543 280 E N 1.144 121.351 120.200 0.011 0.000 2.140 280 E HA -0.009 4.345 4.350 0.008 0.000 0.191 280 E C 0.971 177.584 176.600 0.021 0.000 0.973 280 E CA 0.360 56.767 56.400 0.013 0.000 0.829 280 E CB -0.231 29.477 29.700 0.012 0.000 0.781 280 E HN 0.695 nan 8.360 nan 0.000 0.466 281 K N 1.345 121.763 120.400 0.029 0.000 2.455 281 K HA 0.114 4.439 4.320 0.008 0.000 0.269 281 K C -2.184 174.439 176.600 0.038 0.000 0.972 281 K CA -0.905 55.405 56.287 0.039 0.000 0.938 281 K CB 0.313 32.844 32.500 0.052 0.000 0.931 281 K HN 0.278 nan 8.250 nan 0.000 0.507 282 P HA -0.051 nan 4.420 nan 0.000 0.274 282 P C 0.750 178.078 177.300 0.047 0.000 1.231 282 P CA -0.325 62.797 63.100 0.037 0.000 0.790 282 P CB 0.713 32.433 31.700 0.032 0.000 0.951 283 L N 3.713 124.963 121.223 0.045 0.000 2.056 283 L HA -0.297 4.048 4.340 0.008 0.000 0.237 283 L C 2.352 179.262 176.870 0.067 0.000 1.106 283 L CA 2.260 57.134 54.840 0.057 0.000 0.829 283 L CB -1.789 40.303 42.059 0.056 0.000 0.924 283 L HN 0.358 nan 8.230 nan 0.000 0.447 284 L N -0.540 120.718 121.223 0.060 0.000 2.103 284 L HA -0.293 4.052 4.340 0.008 0.000 0.215 284 L C 2.307 179.225 176.870 0.080 0.000 1.080 284 L CA 2.447 57.325 54.840 0.063 0.000 0.764 284 L CB -0.640 41.447 42.059 0.047 0.000 0.890 284 L HN 0.581 nan 8.230 nan 0.000 0.435 285 E N -2.012 118.236 120.200 0.080 0.000 2.460 285 E HA -0.044 4.311 4.350 0.008 0.000 0.200 285 E C 1.852 178.512 176.600 0.102 0.000 1.011 285 E CA -0.109 56.348 56.400 0.094 0.000 0.912 285 E CB 0.198 29.955 29.700 0.095 0.000 0.953 285 E HN 0.439 nan 8.360 nan 0.000 0.494 286 K N 1.036 121.487 120.400 0.084 0.000 1.977 286 K HA -0.204 4.121 4.320 0.008 0.000 0.218 286 K C 2.466 179.109 176.600 0.071 0.000 1.051 286 K CA 2.084 58.413 56.287 0.069 0.000 0.953 286 K CB -0.294 32.242 32.500 0.059 0.000 0.727 286 K HN 0.088 nan 8.250 nan 0.000 0.445 287 S N 0.297 116.048 115.700 0.084 0.000 2.383 287 S HA -0.261 4.214 4.470 0.008 0.000 0.229 287 S C 2.026 176.661 174.600 0.058 0.000 1.030 287 S CA 1.796 60.039 58.200 0.071 0.000 1.002 287 S CB -0.616 62.625 63.200 0.068 0.000 0.829 287 S HN 0.440 nan 8.310 nan 0.000 0.467 288 H N 0.544 119.609 119.070 -0.007 0.000 2.319 288 H HA -0.078 4.483 4.556 0.008 0.000 0.299 288 H C 2.520 177.788 175.328 -0.101 0.000 1.092 288 H CA 1.938 57.940 56.048 -0.077 0.000 1.302 288 H CB -1.051 28.616 29.762 -0.158 0.000 1.373 288 H HN 0.548 nan 8.280 nan 0.000 0.497 289 c N -0.022 118.547 118.600 -0.052 0.000 2.436 289 c HA -0.114 4.460 4.570 0.008 0.000 0.277 289 c C 2.841 176.888 174.090 -0.072 0.000 1.241 289 c CA 1.209 57.494 56.329 -0.073 0.000 1.721 289 c CB -1.366 41.157 42.510 0.021 0.000 2.043 289 c HN 0.699 nan 8.230 nan 0.000 0.472 290 I N 1.504 122.066 120.570 -0.013 0.000 2.208 290 I HA -0.187 3.988 4.170 0.008 0.000 0.245 290 I C 2.735 178.866 176.117 0.023 0.000 1.097 290 I CA 1.712 63.034 61.300 0.038 0.000 1.363 290 I CB -0.624 37.420 38.000 0.074 0.000 1.051 290 I HN 0.412 nan 8.210 nan 0.000 0.413 291 A N -0.417 122.380 122.820 -0.039 0.000 2.172 291 A HA -0.189 4.136 4.320 0.008 0.000 0.216 291 A C 2.176 179.695 177.584 -0.108 0.000 1.154 291 A CA 1.478 53.483 52.037 -0.053 0.000 0.701 291 A CB -0.426 18.532 19.000 -0.069 0.000 0.789 291 A HN 0.535 nan 8.150 nan 0.000 0.465 292 E N -1.017 119.091 120.200 -0.152 0.000 2.562 292 E HA 0.187 4.542 4.350 0.008 0.000 0.214 292 E C 0.012 176.560 176.600 -0.087 0.000 0.979 292 E CA -0.212 56.097 56.400 -0.152 0.000 1.002 292 E CB 0.500 30.046 29.700 -0.256 0.000 1.048 292 E HN 0.232 nan 8.360 nan 0.000 0.488 293 V N 1.967 121.854 119.914 -0.045 0.000 2.928 293 V HA -0.085 4.039 4.120 0.008 0.000 0.307 293 V C 0.254 176.337 176.094 -0.019 0.000 1.105 293 V CA 0.638 62.935 62.300 -0.005 0.000 1.223 293 V CB 0.982 32.844 31.823 0.064 0.000 0.930 293 V HN 0.208 nan 8.190 nan 0.000 0.499 294 E N 3.952 124.147 120.200 -0.010 0.000 2.404 294 E HA 0.098 4.452 4.350 0.008 0.000 0.261 294 E C -0.118 176.469 176.600 -0.022 0.000 1.074 294 E CA -0.422 55.964 56.400 -0.023 0.000 0.917 294 E CB 0.359 30.049 29.700 -0.016 0.000 0.965 294 E HN 0.739 nan 8.360 nan 0.000 0.433 295 N N 2.515 121.184 118.700 -0.052 0.000 2.458 295 N HA -0.055 4.689 4.740 0.008 0.000 0.258 295 N C -0.326 175.173 175.510 -0.018 0.000 1.219 295 N CA 0.273 53.285 53.050 -0.063 0.000 0.902 295 N CB 0.432 38.864 38.487 -0.092 0.000 1.076 295 N HN 0.446 nan 8.380 nan 0.000 0.455 296 D N 0.608 121.020 120.400 0.019 0.000 2.398 296 D HA 0.094 4.739 4.640 0.008 0.000 0.247 296 D C -0.472 175.822 176.300 -0.011 0.000 1.227 296 D CA -0.113 53.905 54.000 0.031 0.000 0.980 296 D CB 0.718 41.569 40.800 0.085 0.000 1.106 296 D HN 0.307 nan 8.370 nan 0.000 0.493 297 E N 0.050 120.241 120.200 -0.015 0.000 2.283 297 E HA 0.220 4.575 4.350 0.008 0.000 0.278 297 E C -0.253 176.319 176.600 -0.046 0.000 1.027 297 E CA -0.340 56.037 56.400 -0.038 0.000 0.843 297 E CB 0.950 30.630 29.700 -0.034 0.000 1.062 297 E HN 0.362 nan 8.360 nan 0.000 0.401 298 M N 1.825 121.379 119.600 -0.076 0.000 2.233 298 M HA 0.411 4.895 4.480 0.008 0.000 0.350 298 M C -2.192 174.061 176.300 -0.078 0.000 1.176 298 M CA -1.860 53.383 55.300 -0.094 0.000 1.150 298 M CB 0.007 32.518 32.600 -0.149 0.000 1.530 298 M HN 0.077 nan 8.290 nan 0.000 0.459 299 P HA 0.039 nan 4.420 nan 0.000 0.262 299 P C 0.072 177.334 177.300 -0.063 0.000 1.182 299 P CA 0.211 63.281 63.100 -0.050 0.000 0.761 299 P CB 0.693 32.371 31.700 -0.037 0.000 0.795 300 A N 3.207 125.997 122.820 -0.051 0.000 2.067 300 A HA -0.107 4.218 4.320 0.008 0.000 0.219 300 A C 0.632 178.187 177.584 -0.049 0.000 1.158 300 A CA 1.244 53.250 52.037 -0.053 0.000 0.661 300 A CB -0.918 18.057 19.000 -0.041 0.000 0.801 300 A HN 0.670 nan 8.150 nan 0.000 0.452 301 D N -0.185 120.192 120.400 -0.039 0.000 2.639 301 D HA 0.459 5.104 4.640 0.008 0.000 0.233 301 D C -0.618 175.662 176.300 -0.034 0.000 1.161 301 D CA 0.017 53.999 54.000 -0.031 0.000 1.003 301 D CB -0.024 40.765 40.800 -0.018 0.000 1.034 301 D HN 0.225 nan 8.370 nan 0.000 0.514 302 L N 1.533 122.725 121.223 -0.051 0.000 2.356 302 L HA 0.498 4.843 4.340 0.008 0.000 0.277 302 L C -1.796 175.045 176.870 -0.049 0.000 0.996 302 L CA -2.002 52.804 54.840 -0.057 0.000 0.822 302 L CB 1.506 43.506 42.059 -0.099 0.000 1.256 302 L HN 0.094 nan 8.230 nan 0.000 0.413 303 P HA 0.031 nan 4.420 nan 0.000 0.272 303 P C -0.459 176.837 177.300 -0.006 0.000 1.248 303 P CA -0.293 62.804 63.100 -0.006 0.000 0.799 303 P CB 0.507 32.216 31.700 0.014 0.000 0.997 304 S N -0.339 115.371 115.700 0.018 0.000 2.537 304 S HA 0.166 4.641 4.470 0.008 0.000 0.275 304 S C 1.266 175.926 174.600 0.101 0.000 1.272 304 S CA -0.621 57.604 58.200 0.042 0.000 1.050 304 S CB -0.158 63.070 63.200 0.047 0.000 0.961 304 S HN 0.352 nan 8.310 nan 0.000 0.496 305 L N 4.247 125.563 121.223 0.154 0.000 2.131 305 L HA -0.055 4.290 4.340 0.008 0.000 0.210 305 L C 2.782 179.895 176.870 0.406 0.000 1.092 305 L CA 1.353 56.387 54.840 0.323 0.000 0.759 305 L CB -0.735 41.477 42.059 0.254 0.000 0.903 305 L HN 0.855 nan 8.230 nan 0.000 0.435 306 A N 0.143 123.068 122.820 0.175 0.000 2.070 306 A HA -0.140 4.185 4.320 0.008 0.000 0.220 306 A C 2.544 180.119 177.584 -0.015 0.000 1.159 306 A CA 1.547 53.503 52.037 -0.134 0.000 0.656 306 A CB -0.494 18.352 19.000 -0.256 0.000 0.800 306 A HN 0.406 nan 8.150 nan 0.000 0.453 307 A N 0.189 123.033 122.820 0.040 0.000 1.845 307 A HA -0.195 4.130 4.320 0.008 0.000 0.215 307 A C 1.794 179.372 177.584 -0.010 0.000 1.195 307 A CA 1.772 53.822 52.037 0.020 0.000 0.616 307 A CB -0.519 18.494 19.000 0.022 0.000 0.832 307 A HN 0.473 nan 8.150 nan 0.000 0.443 308 D N -1.816 118.536 120.400 -0.080 0.000 2.289 308 D HA 0.062 4.706 4.640 0.008 0.000 0.207 308 D C 0.968 176.975 176.300 -0.487 0.000 0.966 308 D CA 0.805 54.611 54.000 -0.324 0.000 0.868 308 D CB -0.011 40.455 40.800 -0.556 0.000 0.943 308 D HN 0.525 nan 8.370 nan 0.000 0.514 309 F N -0.471 119.577 119.950 0.163 0.000 2.724 309 F HA 0.096 4.628 4.527 0.008 0.000 0.306 309 F C 1.843 177.737 175.800 0.157 0.000 1.100 309 F CA -0.077 58.063 58.000 0.233 0.000 1.255 309 F CB 0.626 39.784 39.000 0.263 0.000 1.072 309 F HN -0.215 nan 8.300 nan 0.000 0.589 310 V N -1.413 118.582 119.914 0.135 0.000 3.161 310 V HA 0.053 4.178 4.120 0.008 0.000 0.221 310 V C 1.677 177.819 176.094 0.080 0.000 1.296 310 V CA 0.362 62.698 62.300 0.060 0.000 1.306 310 V CB -0.138 31.530 31.823 -0.257 0.000 1.171 310 V HN -0.044 nan 8.190 nan 0.000 0.513 311 E N 1.028 121.242 120.200 0.023 0.000 1.999 311 E HA -0.101 4.254 4.350 0.008 0.000 0.194 311 E C 1.190 177.924 176.600 0.222 0.000 0.995 311 E CA 1.204 57.666 56.400 0.103 0.000 0.825 311 E CB -0.261 29.486 29.700 0.078 0.000 0.777 311 E HN 0.355 nan 8.360 nan 0.000 0.459 312 S N 1.066 116.850 115.700 0.140 0.000 3.631 312 S HA -0.046 4.428 4.470 0.008 0.000 0.431 312 S C -0.022 174.695 174.600 0.196 0.000 1.132 312 S CA 0.360 58.636 58.200 0.127 0.000 1.188 312 S CB -0.605 62.629 63.200 0.056 0.000 0.805 312 S HN 0.287 nan 8.310 nan 0.000 0.526 313 K N 3.770 124.292 120.400 0.204 0.000 2.336 313 K HA 0.228 4.553 4.320 0.008 0.000 0.262 313 K C 0.923 177.606 176.600 0.138 0.000 0.992 313 K CA 0.224 56.644 56.287 0.221 0.000 0.927 313 K CB -0.101 32.464 32.500 0.109 0.000 0.956 313 K HN 1.215 nan 8.250 nan 0.000 0.495 314 D N -0.809 119.671 120.400 0.134 0.000 3.103 314 D HA -0.148 4.497 4.640 0.008 0.000 0.211 314 D C 0.503 176.814 176.300 0.018 0.000 1.100 314 D CA 1.188 55.226 54.000 0.063 0.000 0.961 314 D CB -1.778 39.041 40.800 0.031 0.000 1.093 314 D HN 0.308 nan 8.370 nan 0.000 0.427 315 V N 0.436 120.385 119.914 0.057 0.000 2.343 315 V HA -0.251 3.873 4.120 0.008 0.000 0.247 315 V C 2.948 178.923 176.094 -0.198 0.000 1.051 315 V CA 2.123 64.399 62.300 -0.040 0.000 1.036 315 V CB -0.425 31.395 31.823 -0.004 0.000 0.654 315 V HN 0.683 nan 8.190 nan 0.000 0.451 316 c N -0.430 118.129 118.600 -0.069 0.000 2.419 316 c HA -0.135 4.440 4.570 0.008 0.000 0.281 316 c C 2.680 176.738 174.090 -0.054 0.000 1.336 316 c CA 1.330 57.643 56.329 -0.026 0.000 1.770 316 c CB -1.046 41.505 42.510 0.070 0.000 1.929 316 c HN 0.611 nan 8.230 nan 0.000 0.509 317 K N 1.202 121.557 120.400 -0.075 0.000 2.057 317 K HA -0.110 4.214 4.320 0.008 0.000 0.206 317 K C 1.635 178.141 176.600 -0.156 0.000 1.050 317 K CA 1.518 57.756 56.287 -0.082 0.000 0.935 317 K CB -0.312 32.159 32.500 -0.048 0.000 0.715 317 K HN 0.593 nan 8.250 nan 0.000 0.439 318 N N -0.782 117.757 118.700 -0.269 0.000 2.270 318 N HA -0.161 4.583 4.740 0.008 0.000 0.181 318 N C 1.645 176.822 175.510 -0.554 0.000 1.016 318 N CA 0.730 53.553 53.050 -0.378 0.000 0.870 318 N CB -0.076 38.151 38.487 -0.434 0.000 0.979 318 N HN 0.208 nan 8.380 nan 0.000 0.431 319 Y N 1.491 121.259 120.300 -0.886 0.000 2.263 319 Y HA 0.059 4.614 4.550 0.010 0.000 0.292 319 Y C 2.174 177.942 175.900 -0.220 0.000 1.130 319 Y CA 1.005 58.735 58.100 -0.618 0.000 1.179 319 Y CB -0.317 37.847 38.460 -0.494 0.000 0.998 319 Y HN -0.020 nan 8.280 nan 0.000 0.532 320 A N -0.143 122.502 122.820 -0.290 0.000 2.014 320 A HA -0.093 4.231 4.320 0.008 0.000 0.218 320 A C 2.052 179.513 177.584 -0.204 0.000 1.163 320 A CA 1.345 53.211 52.037 -0.285 0.000 0.652 320 A CB -0.704 18.215 19.000 -0.136 0.000 0.808 320 A HN 0.544 nan 8.150 nan 0.000 0.449 321 E N 0.236 120.340 120.200 -0.160 0.000 2.058 321 E HA -0.010 4.344 4.350 0.008 0.000 0.194 321 E C 0.498 177.054 176.600 -0.075 0.000 0.997 321 E CA 1.586 57.930 56.400 -0.094 0.000 0.801 321 E CB -0.150 29.507 29.700 -0.072 0.000 0.746 321 E HN 0.570 nan 8.360 nan 0.000 0.450 322 A N -0.513 122.258 122.820 -0.082 0.000 2.686 322 A HA 0.246 4.571 4.320 0.008 0.000 0.299 322 A C 0.225 177.801 177.584 -0.014 0.000 1.151 322 A CA -0.489 51.531 52.037 -0.028 0.000 0.851 322 A CB 0.542 19.571 19.000 0.049 0.000 1.448 322 A HN 0.088 nan 8.150 nan 0.000 0.404 323 K N 0.550 120.851 120.400 -0.165 0.000 2.000 323 K HA -0.215 4.110 4.320 0.008 0.000 0.218 323 K C 0.787 177.485 176.600 0.164 0.000 1.053 323 K CA 2.218 58.385 56.287 -0.201 0.000 0.946 323 K CB -0.021 32.251 32.500 -0.380 0.000 0.723 323 K HN 0.676 nan 8.250 nan 0.000 0.446 324 D N 0.424 120.904 120.400 0.134 0.000 2.144 324 D HA -0.111 4.533 4.640 0.008 0.000 0.199 324 D C 2.023 178.471 176.300 0.247 0.000 0.984 324 D CA 0.827 54.943 54.000 0.193 0.000 0.834 324 D CB -0.294 40.595 40.800 0.147 0.000 0.955 324 D HN -0.021 nan 8.370 nan 0.000 0.465 325 V N 0.833 120.892 119.914 0.242 0.000 2.295 325 V HA -0.240 3.884 4.120 0.008 0.000 0.246 325 V C 2.173 178.433 176.094 0.277 0.000 1.049 325 V CA 1.293 63.766 62.300 0.288 0.000 1.024 325 V CB -0.620 31.355 31.823 0.253 0.000 0.648 325 V HN 0.057 nan 8.190 nan 0.000 0.447 326 F N 0.455 120.509 119.950 0.174 0.000 2.069 326 F HA -0.169 4.361 4.527 0.006 0.000 0.298 326 F C 2.136 178.125 175.800 0.313 0.000 1.113 326 F CA 1.620 59.766 58.000 0.243 0.000 1.214 326 F CB -0.456 38.747 39.000 0.338 0.000 0.978 326 F HN -0.011 nan 8.300 nan 0.000 0.474 327 L N -0.350 121.116 121.223 0.405 0.000 2.127 327 L HA -0.205 4.139 4.340 0.008 0.000 0.211 327 L C 2.712 179.714 176.870 0.219 0.000 1.089 327 L CA 1.343 56.356 54.840 0.288 0.000 0.757 327 L CB -1.476 40.763 42.059 0.300 0.000 0.899 327 L HN 0.355 nan 8.230 nan 0.000 0.434 328 G N -0.613 108.318 108.800 0.218 0.000 2.404 328 G HA2 -0.254 3.711 3.960 0.008 0.000 0.215 328 G HA3 -0.254 3.711 3.960 0.008 0.000 0.215 328 G C 1.630 176.598 174.900 0.114 0.000 1.174 328 G CA 0.547 45.806 45.100 0.264 0.000 0.780 328 G HN 0.189 nan 8.290 nan 0.000 0.537 329 M N -0.573 118.862 119.600 -0.275 0.000 2.159 329 M HA 0.028 4.513 4.480 0.008 0.000 0.263 329 M C 2.279 178.502 176.300 -0.129 0.000 1.063 329 M CA 1.073 56.084 55.300 -0.482 0.000 1.110 329 M CB -0.326 31.993 32.600 -0.468 0.000 1.374 329 M HN 0.284 nan 8.290 nan 0.000 0.411 330 F N 1.227 120.951 119.950 -0.377 0.000 2.069 330 F HA -0.239 4.292 4.527 0.006 0.000 0.298 330 F C 1.973 177.543 175.800 -0.382 0.000 1.113 330 F CA 1.668 59.220 58.000 -0.747 0.000 1.214 330 F CB -0.438 38.200 39.000 -0.604 0.000 0.978 330 F HN -0.046 nan 8.300 nan 0.000 0.474 331 L N -0.842 120.334 121.223 -0.079 0.000 1.990 331 L HA -0.299 4.045 4.340 0.008 0.000 0.213 331 L C 2.525 179.340 176.870 -0.091 0.000 1.072 331 L CA 2.079 56.857 54.840 -0.103 0.000 0.755 331 L CB -0.963 41.121 42.059 0.042 0.000 0.889 331 L HN 0.371 nan 8.230 nan 0.000 0.432 332 Y N 0.917 121.178 120.300 -0.065 0.000 2.081 332 Y HA -0.319 4.235 4.550 0.007 0.000 0.280 332 Y C 2.598 178.437 175.900 -0.102 0.000 1.163 332 Y CA 1.945 60.051 58.100 0.010 0.000 1.135 332 Y CB -0.218 38.388 38.460 0.245 0.000 0.970 332 Y HN 0.159 nan 8.280 nan 0.000 0.498 333 E N -0.633 119.415 120.200 -0.254 0.000 2.051 333 E HA -0.248 4.107 4.350 0.008 0.000 0.192 333 E C 2.123 178.437 176.600 -0.477 0.000 0.991 333 E CA 1.637 57.797 56.400 -0.401 0.000 0.799 333 E CB -0.932 28.638 29.700 -0.216 0.000 0.748 333 E HN 0.627 nan 8.360 nan 0.000 0.449 334 Y N 1.026 120.936 120.300 -0.651 0.000 2.163 334 Y HA -0.108 4.448 4.550 0.010 0.000 0.288 334 Y C 2.350 177.998 175.900 -0.420 0.000 1.136 334 Y CA 1.232 58.966 58.100 -0.610 0.000 1.147 334 Y CB -0.482 37.426 38.460 -0.919 0.000 0.987 334 Y HN 0.019 nan 8.280 nan 0.000 0.509 335 A N 0.867 123.581 122.820 -0.177 0.000 1.933 335 A HA -0.221 4.104 4.320 0.008 0.000 0.218 335 A C 2.195 179.629 177.584 -0.250 0.000 1.175 335 A CA 1.913 53.839 52.037 -0.185 0.000 0.628 335 A CB -0.724 18.159 19.000 -0.196 0.000 0.814 335 A HN 0.611 nan 8.150 nan 0.000 0.444 336 R N -0.760 119.536 120.500 -0.340 0.000 2.280 336 R HA 0.061 4.405 4.340 0.008 0.000 0.207 336 R C 1.495 177.583 176.300 -0.353 0.000 1.043 336 R CA 1.051 56.944 56.100 -0.345 0.000 1.006 336 R CB -0.220 29.818 30.300 -0.436 0.000 0.885 336 R HN 0.433 nan 8.270 nan 0.000 0.467 337 R N -0.184 120.060 120.500 -0.426 0.000 2.312 337 R HA 0.147 4.492 4.340 0.008 0.000 0.205 337 R C -0.046 175.752 176.300 -0.837 0.000 0.904 337 R CA 0.159 55.916 56.100 -0.572 0.000 1.052 337 R CB 0.427 30.339 30.300 -0.646 0.000 1.014 337 R HN 0.329 nan 8.270 nan 0.000 0.503 338 H N 0.012 118.821 119.070 -0.435 0.000 2.380 338 H HA 0.199 4.761 4.556 0.011 0.000 0.231 338 H C -2.162 172.956 175.328 -0.349 0.000 1.415 338 H CA -1.865 53.862 56.048 -0.534 0.000 1.433 338 H CB 1.622 30.759 29.762 -1.042 0.000 1.544 338 H HN -0.062 nan 8.280 nan 0.000 0.503 339 P HA -0.095 nan 4.420 nan 0.000 0.229 339 P C 1.258 178.523 177.300 -0.057 0.000 1.160 339 P CA 0.812 63.834 63.100 -0.130 0.000 0.777 339 P CB 0.360 31.981 31.700 -0.131 0.000 0.814 340 D N -2.583 117.809 120.400 -0.013 0.000 2.349 340 D HA -0.106 4.539 4.640 0.008 0.000 0.224 340 D C 0.168 176.621 176.300 0.254 0.000 1.029 340 D CA 0.364 54.420 54.000 0.093 0.000 0.879 340 D CB -0.518 40.350 40.800 0.114 0.000 0.906 340 D HN 0.114 nan 8.370 nan 0.000 0.528 341 Y N 1.806 122.078 120.300 -0.046 0.000 2.335 341 Y HA 0.315 4.871 4.550 0.011 0.000 0.323 341 Y C 1.223 177.040 175.900 -0.138 0.000 1.224 341 Y CA -2.349 55.689 58.100 -0.103 0.000 1.241 341 Y CB 1.323 39.698 38.460 -0.141 0.000 1.235 341 Y HN -0.125 nan 8.280 nan 0.000 0.492 342 S N -0.030 115.659 115.700 -0.019 0.000 2.603 342 S HA 0.258 4.733 4.470 0.008 0.000 0.268 342 S C 0.958 175.474 174.600 -0.140 0.000 1.317 342 S CA -0.721 57.426 58.200 -0.088 0.000 1.012 342 S CB 1.044 64.188 63.200 -0.094 0.000 0.926 342 S HN 0.395 nan 8.310 nan 0.000 0.539 343 V N 1.660 121.443 119.914 -0.219 0.000 2.295 343 V HA -0.181 3.944 4.120 0.008 0.000 0.246 343 V C 2.606 178.547 176.094 -0.255 0.000 1.049 343 V CA 1.992 64.071 62.300 -0.368 0.000 1.024 343 V CB -1.264 30.101 31.823 -0.763 0.000 0.648 343 V HN 0.890 nan 8.190 nan 0.000 0.447 344 V N -1.115 118.718 119.914 -0.134 0.000 2.490 344 V HA -0.216 3.908 4.120 0.008 0.000 0.250 344 V C 2.367 178.373 176.094 -0.147 0.000 1.061 344 V CA 1.951 64.195 62.300 -0.094 0.000 1.064 344 V CB -1.021 30.778 31.823 -0.039 0.000 0.670 344 V HN 0.469 nan 8.190 nan 0.000 0.461 345 L N 0.124 121.238 121.223 -0.181 0.000 2.017 345 L HA -0.039 4.306 4.340 0.008 0.000 0.208 345 L C 2.327 179.025 176.870 -0.286 0.000 1.073 345 L CA 1.835 56.525 54.840 -0.251 0.000 0.745 345 L CB -0.661 41.193 42.059 -0.341 0.000 0.894 345 L HN 0.249 nan 8.230 nan 0.000 0.432 346 L N -1.121 119.954 121.223 -0.246 0.000 2.079 346 L HA -0.255 4.089 4.340 0.008 0.000 0.210 346 L C 2.508 179.211 176.870 -0.279 0.000 1.081 346 L CA 1.288 55.951 54.840 -0.295 0.000 0.752 346 L CB -0.532 41.385 42.059 -0.237 0.000 0.896 346 L HN 0.337 nan 8.230 nan 0.000 0.433 347 L N -1.000 120.100 121.223 -0.206 0.000 2.109 347 L HA -0.161 4.184 4.340 0.008 0.000 0.207 347 L C 2.758 179.547 176.870 -0.135 0.000 1.086 347 L CA 1.008 55.765 54.840 -0.138 0.000 0.760 347 L CB -0.449 41.554 42.059 -0.094 0.000 0.910 347 L HN 0.203 nan 8.230 nan 0.000 0.437 348 R N 0.077 120.476 120.500 -0.168 0.000 2.081 348 R HA -0.118 4.227 4.340 0.008 0.000 0.235 348 R C 2.300 178.483 176.300 -0.196 0.000 1.131 348 R CA 1.167 57.177 56.100 -0.151 0.000 0.960 348 R CB -0.299 29.906 30.300 -0.157 0.000 0.856 348 R HN 0.307 nan 8.270 nan 0.000 0.436 349 L N -0.122 120.882 121.223 -0.364 0.000 2.027 349 L HA -0.135 4.209 4.340 0.008 0.000 0.206 349 L C 2.705 179.386 176.870 -0.315 0.000 1.074 349 L CA 1.284 55.746 54.840 -0.630 0.000 0.745 349 L CB -0.666 40.696 42.059 -1.162 0.000 0.898 349 L HN 0.231 nan 8.230 nan 0.000 0.433 350 A N 0.322 123.052 122.820 -0.150 0.000 1.908 350 A HA -0.276 4.048 4.320 0.008 0.000 0.218 350 A C 2.318 179.913 177.584 0.018 0.000 1.181 350 A CA 2.187 54.254 52.037 0.050 0.000 0.627 350 A CB -0.454 18.594 19.000 0.081 0.000 0.818 350 A HN 0.259 nan 8.150 nan 0.000 0.445 351 K N -0.493 119.900 120.400 -0.011 0.000 2.097 351 K HA -0.080 4.244 4.320 0.008 0.000 0.206 351 K C 1.942 178.559 176.600 0.028 0.000 1.049 351 K CA 2.159 58.451 56.287 0.009 0.000 0.933 351 K CB -0.735 31.762 32.500 -0.005 0.000 0.717 351 K HN 0.417 nan 8.250 nan 0.000 0.442 352 T N -0.125 114.463 114.554 0.056 0.000 2.777 352 T HA -0.146 4.209 4.350 0.008 0.000 0.266 352 T C 1.320 176.123 174.700 0.171 0.000 1.040 352 T CA 1.413 63.594 62.100 0.135 0.000 1.141 352 T CB -0.541 68.479 68.868 0.254 0.000 0.868 352 T HN 0.264 nan 8.240 nan 0.000 0.444 353 Y N 1.964 122.272 120.300 0.014 0.000 2.165 353 Y HA -0.129 4.423 4.550 0.004 0.000 0.286 353 Y C 2.489 178.260 175.900 -0.214 0.000 1.155 353 Y CA 1.496 59.507 58.100 -0.150 0.000 1.164 353 Y CB -0.353 37.754 38.460 -0.587 0.000 0.978 353 Y HN 0.302 nan 8.280 nan 0.000 0.513 354 E N -1.179 118.920 120.200 -0.168 0.000 2.077 354 E HA -0.192 4.163 4.350 0.008 0.000 0.193 354 E C 1.924 178.439 176.600 -0.142 0.000 0.989 354 E CA 1.831 58.115 56.400 -0.192 0.000 0.800 354 E CB -0.139 29.551 29.700 -0.016 0.000 0.746 354 E HN 0.440 nan 8.360 nan 0.000 0.452 355 T N 0.117 114.634 114.554 -0.062 0.000 2.788 355 T HA -0.117 4.238 4.350 0.008 0.000 0.268 355 T C 1.797 176.464 174.700 -0.055 0.000 1.044 355 T CA 1.668 63.751 62.100 -0.029 0.000 1.139 355 T CB -0.339 68.533 68.868 0.006 0.000 0.867 355 T HN 0.242 nan 8.240 nan 0.000 0.454 356 T N 2.422 116.925 114.554 -0.086 0.000 2.668 356 T HA 0.080 4.435 4.350 0.008 0.000 0.262 356 T C 1.991 176.593 174.700 -0.162 0.000 1.045 356 T CA 0.795 62.846 62.100 -0.082 0.000 1.152 356 T CB -0.503 68.340 68.868 -0.041 0.000 0.864 356 T HN 0.217 nan 8.240 nan 0.000 0.419 357 L N 1.012 121.991 121.223 -0.407 0.000 2.129 357 L HA -0.132 4.212 4.340 0.008 0.000 0.212 357 L C 2.863 179.600 176.870 -0.221 0.000 1.087 357 L CA 1.219 55.753 54.840 -0.509 0.000 0.757 357 L CB -0.552 40.834 42.059 -1.122 0.000 0.896 357 L HN 0.267 nan 8.230 nan 0.000 0.434 358 E N 0.621 120.748 120.200 -0.123 0.000 2.072 358 E HA -0.216 4.139 4.350 0.008 0.000 0.191 358 E C 2.095 178.710 176.600 0.025 0.000 0.985 358 E CA 1.439 57.855 56.400 0.026 0.000 0.801 358 E CB 0.010 29.736 29.700 0.042 0.000 0.750 358 E HN 0.598 nan 8.360 nan 0.000 0.452 359 K N -0.509 119.894 120.400 0.005 0.000 2.314 359 K HA 0.079 4.403 4.320 0.008 0.000 0.198 359 K C 2.082 178.701 176.600 0.032 0.000 1.045 359 K CA 0.812 57.110 56.287 0.020 0.000 0.988 359 K CB -0.122 32.387 32.500 0.015 0.000 0.783 359 K HN -0.050 nan 8.250 nan 0.000 0.484 360 c N 0.560 119.186 118.600 0.043 0.000 2.512 360 c HA 0.133 4.708 4.570 0.008 0.000 0.276 360 c C 2.160 176.320 174.090 0.118 0.000 1.368 360 c CA -0.136 56.251 56.329 0.096 0.000 1.755 360 c CB -0.607 42.027 42.510 0.206 0.000 2.008 360 c HN 0.663 nan 8.230 nan 0.000 0.511 361 c N 1.085 119.743 118.600 0.097 0.000 2.539 361 c HA 0.285 4.860 4.570 0.008 0.000 0.271 361 c C 1.849 175.983 174.090 0.073 0.000 1.412 361 c CA 0.577 56.968 56.329 0.104 0.000 1.729 361 c CB -2.027 40.547 42.510 0.105 0.000 1.739 361 c HN 0.662 nan 8.230 nan 0.000 0.570 362 A N -0.175 122.679 122.820 0.057 0.000 2.855 362 A HA 0.768 5.093 4.320 0.008 0.000 0.301 362 A C 0.229 177.830 177.584 0.029 0.000 1.076 362 A CA 0.381 52.442 52.037 0.039 0.000 1.004 362 A CB -0.168 18.853 19.000 0.034 0.000 1.152 362 A HN 0.479 nan 8.150 nan 0.000 0.531 363 A N -1.310 121.528 122.820 0.030 0.000 2.609 363 A HA 0.806 5.130 4.320 0.008 0.000 0.291 363 A C 0.947 178.538 177.584 0.011 0.000 1.096 363 A CA 0.059 52.106 52.037 0.017 0.000 0.684 363 A CB -0.065 18.943 19.000 0.014 0.000 1.282 363 A HN 1.671 nan 8.150 nan 0.000 0.412 364 A N 0.590 123.411 122.820 0.003 0.000 2.766 364 A HA -0.218 4.107 4.320 0.008 0.000 0.234 364 A C 0.856 178.436 177.584 -0.006 0.000 1.284 364 A CA 2.627 54.662 52.037 -0.003 0.000 1.067 364 A CB -1.149 17.846 19.000 -0.009 0.000 0.598 364 A HN 1.216 nan 8.150 nan 0.000 0.486 365 D N -0.508 119.880 120.400 -0.019 0.000 2.499 365 D HA 0.472 5.117 4.640 0.008 0.000 0.225 365 D C -1.671 174.595 176.300 -0.057 0.000 1.124 365 D CA -1.852 52.132 54.000 -0.028 0.000 0.938 365 D CB 0.793 41.573 40.800 -0.033 0.000 1.014 365 D HN 0.031 nan 8.370 nan 0.000 0.517 366 P HA -0.251 nan 4.420 nan 0.000 0.214 366 P C 1.035 178.033 177.300 -0.502 0.000 1.172 366 P CA 1.380 64.431 63.100 -0.083 0.000 0.925 366 P CB -0.003 31.761 31.700 0.107 0.000 0.793 367 H N -0.733 118.007 119.070 -0.550 0.000 2.478 367 H HA -0.213 4.349 4.556 0.009 0.000 0.294 367 H C 1.867 176.803 175.328 -0.653 0.000 1.125 367 H CA 2.123 57.727 56.048 -0.740 0.000 1.225 367 H CB -0.107 29.501 29.762 -0.255 0.000 1.360 367 H HN 0.228 nan 8.280 nan 0.000 0.519 368 E N -1.367 118.668 120.200 -0.275 0.000 2.415 368 E HA -0.039 4.315 4.350 0.008 0.000 0.197 368 E C 2.038 178.515 176.600 -0.204 0.000 1.007 368 E CA 0.460 56.757 56.400 -0.172 0.000 0.890 368 E CB -0.146 29.523 29.700 -0.052 0.000 0.891 368 E HN 0.537 nan 8.360 nan 0.000 0.496 369 c N 0.575 119.025 118.600 -0.250 0.000 2.486 369 c HA -0.034 4.540 4.570 0.008 0.000 0.279 369 c C 2.151 176.199 174.090 -0.070 0.000 1.302 369 c CA 0.742 56.997 56.329 -0.123 0.000 1.720 369 c CB -0.841 41.631 42.510 -0.063 0.000 2.030 369 c HN 0.690 nan 8.230 nan 0.000 0.490 370 Y N 0.248 120.513 120.300 -0.057 0.000 2.485 370 Y HA 0.640 5.193 4.550 0.004 0.000 0.260 370 Y C 1.774 177.619 175.900 -0.092 0.000 1.173 370 Y CA -0.038 58.024 58.100 -0.063 0.000 1.252 370 Y CB -1.429 36.994 38.460 -0.062 0.000 1.123 370 Y HN 0.147 nan 8.280 nan 0.000 0.524 371 A N 1.412 124.139 122.820 -0.155 0.000 2.024 371 A HA -0.129 4.195 4.320 0.008 0.000 0.220 371 A C 2.109 179.654 177.584 -0.065 0.000 1.164 371 A CA 1.485 53.423 52.037 -0.164 0.000 0.643 371 A CB -0.265 18.601 19.000 -0.224 0.000 0.806 371 A HN 0.301 nan 8.150 nan 0.000 0.451 372 K N -0.972 119.412 120.400 -0.026 0.000 2.044 372 K HA 0.043 4.368 4.320 0.008 0.000 0.204 372 K C 1.797 178.392 176.600 -0.008 0.000 1.045 372 K CA 0.894 57.172 56.287 -0.016 0.000 0.951 372 K CB -1.361 31.133 32.500 -0.011 0.000 0.738 372 K HN 0.210 nan 8.250 nan 0.000 0.443 373 V N 1.494 121.410 119.914 0.003 0.000 2.467 373 V HA -0.361 3.764 4.120 0.008 0.000 0.228 373 V C 2.012 177.895 176.094 -0.351 0.000 1.095 373 V CA 2.442 64.699 62.300 -0.072 0.000 1.074 373 V CB -0.559 31.322 31.823 0.097 0.000 1.007 373 V HN 0.175 nan 8.190 nan 0.000 0.471 374 F N 0.284 119.929 119.950 -0.508 0.000 2.408 374 F HA -0.081 4.449 4.527 0.005 0.000 0.300 374 F C 2.160 177.780 175.800 -0.301 0.000 1.090 374 F CA 1.593 59.258 58.000 -0.559 0.000 1.427 374 F CB -0.609 38.318 39.000 -0.122 0.000 1.070 374 F HN 0.389 nan 8.300 nan 0.000 0.549 375 D N -0.436 119.948 120.400 -0.026 0.000 2.347 375 D HA -0.063 4.582 4.640 0.008 0.000 0.213 375 D C 1.922 178.217 176.300 -0.009 0.000 0.985 375 D CA 0.401 54.409 54.000 0.013 0.000 0.879 375 D CB 0.055 40.868 40.800 0.021 0.000 0.919 375 D HN 0.326 nan 8.370 nan 0.000 0.526 376 E N 0.192 120.336 120.200 -0.092 0.000 2.158 376 E HA -0.067 4.287 4.350 0.008 0.000 0.191 376 E C 1.813 178.504 176.600 0.153 0.000 0.982 376 E CA 0.382 56.780 56.400 -0.004 0.000 0.823 376 E CB -0.134 29.547 29.700 -0.033 0.000 0.766 376 E HN 0.294 nan 8.360 nan 0.000 0.468 377 F N 1.812 121.767 119.950 0.007 0.000 2.186 377 F HA -0.042 4.485 4.527 0.000 0.000 0.299 377 F C 2.340 178.103 175.800 -0.062 0.000 1.090 377 F CA 0.410 58.371 58.000 -0.065 0.000 1.307 377 F CB -0.947 37.979 39.000 -0.124 0.000 1.019 377 F HN -0.018 nan 8.300 nan 0.000 0.489 378 K N 0.932 121.430 120.400 0.164 0.000 2.032 378 K HA -0.210 4.114 4.320 0.008 0.000 0.218 378 K C -0.526 176.095 176.600 0.036 0.000 1.054 378 K CA 2.295 58.633 56.287 0.085 0.000 0.941 378 K CB -1.395 31.148 32.500 0.071 0.000 0.720 378 K HN 0.134 nan 8.250 nan 0.000 0.449 379 P HA -0.164 nan 4.420 nan 0.000 0.218 379 P C 1.442 178.731 177.300 -0.019 0.000 1.148 379 P CA 1.066 64.171 63.100 0.009 0.000 0.822 379 P CB 0.036 31.746 31.700 0.017 0.000 0.784 380 L N -0.456 120.756 121.223 -0.017 0.000 2.056 380 L HA -0.099 4.245 4.340 0.008 0.000 0.207 380 L C 2.799 179.576 176.870 -0.155 0.000 1.078 380 L CA 1.501 56.297 54.840 -0.074 0.000 0.749 380 L CB -1.480 40.535 42.059 -0.072 0.000 0.901 380 L HN -0.177 nan 8.230 nan 0.000 0.433 381 V N -0.899 118.909 119.914 -0.177 0.000 2.379 381 V HA -0.222 3.903 4.120 0.008 0.000 0.245 381 V C 2.330 178.299 176.094 -0.208 0.000 1.044 381 V CA 1.413 63.534 62.300 -0.298 0.000 1.036 381 V CB -0.448 31.214 31.823 -0.268 0.000 0.664 381 V HN 0.469 nan 8.190 nan 0.000 0.453 382 E N -0.381 119.755 120.200 -0.107 0.000 2.152 382 E HA -0.198 4.156 4.350 0.008 0.000 0.192 382 E C 2.272 178.835 176.600 -0.062 0.000 0.983 382 E CA 0.752 57.112 56.400 -0.067 0.000 0.818 382 E CB -0.097 29.586 29.700 -0.028 0.000 0.758 382 E HN 0.527 nan 8.360 nan 0.000 0.467 383 E N 1.199 121.360 120.200 -0.066 0.000 2.033 383 E HA -0.169 4.185 4.350 0.008 0.000 0.199 383 E C -0.614 175.953 176.600 -0.054 0.000 1.011 383 E CA 1.630 58.000 56.400 -0.049 0.000 0.815 383 E CB -0.896 28.776 29.700 -0.047 0.000 0.755 383 E HN 0.198 nan 8.360 nan 0.000 0.451 384 P HA -0.116 nan 4.420 nan 0.000 0.219 384 P C 1.380 178.638 177.300 -0.070 0.000 1.150 384 P CA 1.311 64.362 63.100 -0.082 0.000 0.814 384 P CB -0.147 31.477 31.700 -0.127 0.000 0.787 385 Q N -0.306 119.444 119.800 -0.083 0.000 2.046 385 Q HA -0.121 4.224 4.340 0.008 0.000 0.200 385 Q C 2.163 178.147 176.000 -0.027 0.000 0.975 385 Q CA 1.256 57.026 55.803 -0.055 0.000 0.836 385 Q CB -0.458 28.247 28.738 -0.056 0.000 0.896 385 Q HN 0.277 nan 8.270 nan 0.000 0.428 386 N N 0.734 119.421 118.700 -0.022 0.000 2.166 386 N HA -0.125 4.620 4.740 0.008 0.000 0.186 386 N C 1.810 177.322 175.510 0.003 0.000 1.019 386 N CA 0.944 53.991 53.050 -0.006 0.000 0.856 386 N CB -0.256 38.229 38.487 -0.003 0.000 0.993 386 N HN 0.205 nan 8.380 nan 0.000 0.426 387 L N 0.714 121.938 121.223 0.002 0.000 2.083 387 L HA -0.116 4.229 4.340 0.008 0.000 0.209 387 L C 2.066 178.948 176.870 0.020 0.000 1.083 387 L CA 0.732 55.584 54.840 0.019 0.000 0.752 387 L CB -0.269 41.801 42.059 0.020 0.000 0.899 387 L HN 0.134 nan 8.230 nan 0.000 0.433 388 I N -0.030 120.540 120.570 -0.000 0.000 2.179 388 I HA -0.304 3.870 4.170 0.008 0.000 0.242 388 I C 2.569 178.682 176.117 -0.006 0.000 1.088 388 I CA 1.541 62.836 61.300 -0.009 0.000 1.357 388 I CB -0.898 37.088 38.000 -0.023 0.000 1.051 388 I HN 0.362 nan 8.210 nan 0.000 0.409 389 K N 0.932 121.331 120.400 -0.001 0.000 2.062 389 K HA -0.207 4.117 4.320 0.008 0.000 0.205 389 K C 2.156 178.763 176.600 0.012 0.000 1.051 389 K CA 1.151 57.440 56.287 0.004 0.000 0.941 389 K CB -0.064 32.440 32.500 0.006 0.000 0.719 389 K HN 0.318 nan 8.250 nan 0.000 0.440 390 Q N 0.629 120.442 119.800 0.020 0.000 2.030 390 Q HA -0.193 4.151 4.340 0.008 0.000 0.204 390 Q C 1.609 177.639 176.000 0.050 0.000 0.986 390 Q CA 1.640 57.463 55.803 0.034 0.000 0.843 390 Q CB -0.125 28.636 28.738 0.038 0.000 0.904 390 Q HN 0.350 nan 8.270 nan 0.000 0.420 391 N N -0.138 118.598 118.700 0.061 0.000 2.244 391 N HA -0.097 4.647 4.740 0.008 0.000 0.183 391 N C 1.824 177.313 175.510 -0.034 0.000 1.016 391 N CA 1.170 54.277 53.050 0.095 0.000 0.866 391 N CB -0.207 38.373 38.487 0.154 0.000 0.980 391 N HN 0.335 nan 8.380 nan 0.000 0.430 392 c N 1.084 119.657 118.600 -0.046 0.000 2.467 392 c HA 0.045 4.620 4.570 0.008 0.000 0.279 392 c C 2.487 176.576 174.090 -0.002 0.000 1.347 392 c CA 0.053 56.341 56.329 -0.069 0.000 1.748 392 c CB -0.593 41.886 42.510 -0.053 0.000 1.977 392 c HN 0.479 nan 8.230 nan 0.000 0.501 393 E N 0.692 120.894 120.200 0.004 0.000 2.023 393 E HA -0.254 4.101 4.350 0.008 0.000 0.196 393 E C 2.019 178.619 176.600 0.001 0.000 1.003 393 E CA 1.219 57.625 56.400 0.011 0.000 0.809 393 E CB -0.430 29.279 29.700 0.015 0.000 0.755 393 E HN 0.414 nan 8.360 nan 0.000 0.449 394 L N 1.053 122.285 121.223 0.015 0.000 2.021 394 L HA -0.234 4.110 4.340 0.008 0.000 0.215 394 L C 2.169 179.018 176.870 -0.035 0.000 1.074 394 L CA 1.789 56.654 54.840 0.042 0.000 0.760 394 L CB -0.784 41.366 42.059 0.153 0.000 0.889 394 L HN 0.166 nan 8.230 nan 0.000 0.433 395 F N -0.163 119.531 119.950 -0.427 0.000 2.269 395 F HA -0.142 4.389 4.527 0.007 0.000 0.301 395 F C 2.317 177.964 175.800 -0.256 0.000 1.082 395 F CA 1.542 59.153 58.000 -0.648 0.000 1.360 395 F CB -0.184 38.139 39.000 -1.127 0.000 1.041 395 F HN 0.194 nan 8.300 nan 0.000 0.512 396 E N 0.369 120.471 120.200 -0.164 0.000 2.107 396 E HA -0.164 4.190 4.350 0.008 0.000 0.191 396 E C 2.056 178.548 176.600 -0.180 0.000 0.982 396 E CA 1.050 57.350 56.400 -0.165 0.000 0.809 396 E CB -0.112 29.579 29.700 -0.015 0.000 0.756 396 E HN 0.637 nan 8.360 nan 0.000 0.459 397 Q N 0.151 119.880 119.800 -0.119 0.000 1.916 397 Q HA -0.033 4.312 4.340 0.008 0.000 0.203 397 Q C 1.200 177.140 176.000 -0.099 0.000 0.983 397 Q CA 0.843 56.600 55.803 -0.076 0.000 0.846 397 Q CB -0.179 28.542 28.738 -0.029 0.000 0.909 397 Q HN 0.144 nan 8.270 nan 0.000 0.427 398 L N -0.019 121.153 121.223 -0.085 0.000 2.475 398 L HA 0.274 4.619 4.340 0.008 0.000 0.250 398 L C 0.841 177.594 176.870 -0.194 0.000 1.224 398 L CA -0.469 54.334 54.840 -0.061 0.000 0.821 398 L CB -0.041 42.044 42.059 0.043 0.000 1.141 398 L HN 0.190 nan 8.230 nan 0.000 0.494 399 G N -1.033 107.691 108.800 -0.127 0.000 2.568 399 G HA2 0.186 4.151 3.960 0.008 0.000 0.293 399 G HA3 0.186 4.151 3.960 0.008 0.000 0.293 399 G C 0.481 175.299 174.900 -0.138 0.000 1.347 399 G CA -0.260 44.702 45.100 -0.229 0.000 1.039 399 G HN 0.808 nan 8.290 nan 0.000 0.523 400 E N -1.421 118.762 120.200 -0.028 0.000 2.070 400 E HA -0.275 4.080 4.350 0.008 0.000 0.197 400 E C 1.845 178.652 176.600 0.346 0.000 1.004 400 E CA 1.534 58.148 56.400 0.358 0.000 0.805 400 E CB -0.282 29.648 29.700 0.384 0.000 0.744 400 E HN 0.514 nan 8.360 nan 0.000 0.451 401 Y N 1.232 121.613 120.300 0.134 0.000 2.133 401 Y HA -0.132 4.423 4.550 0.009 0.000 0.287 401 Y C 2.209 178.163 175.900 0.091 0.000 1.134 401 Y CA 2.073 60.233 58.100 0.101 0.000 1.133 401 Y CB -0.206 38.294 38.460 0.067 0.000 0.987 401 Y HN -0.110 nan 8.280 nan 0.000 0.502 402 K N -0.901 119.450 120.400 -0.082 0.000 2.283 402 K HA -0.155 4.170 4.320 0.008 0.000 0.202 402 K C 1.966 178.531 176.600 -0.059 0.000 1.048 402 K CA 1.027 57.214 56.287 -0.168 0.000 0.948 402 K CB -0.442 32.051 32.500 -0.012 0.000 0.742 402 K HN 0.373 nan 8.250 nan 0.000 0.458 403 F N 1.803 121.710 119.950 -0.071 0.000 2.259 403 F HA -0.079 4.451 4.527 0.006 0.000 0.298 403 F C 1.833 177.638 175.800 0.008 0.000 1.088 403 F CA 1.303 59.309 58.000 0.011 0.000 1.358 403 F CB -0.007 39.084 39.000 0.152 0.000 1.040 403 F HN 0.035 nan 8.300 nan 0.000 0.505 404 Q N -0.061 119.623 119.800 -0.194 0.000 2.167 404 Q HA -0.166 4.178 4.340 0.008 0.000 0.202 404 Q C 1.721 177.555 176.000 -0.277 0.000 0.970 404 Q CA 1.349 56.997 55.803 -0.258 0.000 0.855 404 Q CB -0.273 28.419 28.738 -0.078 0.000 0.911 404 Q HN 0.382 nan 8.270 nan 0.000 0.438 405 N N 0.753 119.271 118.700 -0.304 0.000 2.244 405 N HA -0.104 4.641 4.740 0.008 0.000 0.183 405 N C 1.523 176.908 175.510 -0.208 0.000 1.016 405 N CA 1.262 54.157 53.050 -0.259 0.000 0.866 405 N CB -0.290 38.014 38.487 -0.306 0.000 0.980 405 N HN 0.233 nan 8.380 nan 0.000 0.430 406 A N 0.969 123.652 122.820 -0.229 0.000 1.898 406 A HA -0.008 4.316 4.320 0.008 0.000 0.216 406 A C 2.259 179.674 177.584 -0.281 0.000 1.181 406 A CA 0.831 52.745 52.037 -0.204 0.000 0.620 406 A CB -0.700 18.215 19.000 -0.141 0.000 0.819 406 A HN 0.205 nan 8.150 nan 0.000 0.442 407 L N -1.035 119.960 121.223 -0.379 0.000 2.131 407 L HA -0.156 4.189 4.340 0.008 0.000 0.210 407 L C 2.493 179.219 176.870 -0.240 0.000 1.092 407 L CA 0.562 55.176 54.840 -0.376 0.000 0.759 407 L CB -0.531 41.382 42.059 -0.243 0.000 0.903 407 L HN 0.322 nan 8.230 nan 0.000 0.435 408 L N -0.419 120.714 121.223 -0.149 0.000 2.017 408 L HA -0.176 4.169 4.340 0.008 0.000 0.208 408 L C 2.432 179.249 176.870 -0.088 0.000 1.073 408 L CA 1.652 56.452 54.840 -0.066 0.000 0.745 408 L CB -0.543 41.470 42.059 -0.077 0.000 0.894 408 L HN -0.050 nan 8.230 nan 0.000 0.432 409 V N -0.684 119.151 119.914 -0.130 0.000 2.427 409 V HA -0.263 3.862 4.120 0.008 0.000 0.248 409 V C 2.708 178.708 176.094 -0.155 0.000 1.051 409 V CA 1.808 64.041 62.300 -0.113 0.000 1.048 409 V CB -0.647 31.115 31.823 -0.102 0.000 0.666 409 V HN 0.451 nan 8.190 nan 0.000 0.456 410 R N -0.986 119.349 120.500 -0.276 0.000 2.081 410 R HA -0.177 4.168 4.340 0.008 0.000 0.235 410 R C 2.270 178.346 176.300 -0.373 0.000 1.131 410 R CA 1.934 57.800 56.100 -0.390 0.000 0.960 410 R CB -0.219 29.702 30.300 -0.631 0.000 0.856 410 R HN 0.545 nan 8.270 nan 0.000 0.436 411 Y N -0.615 119.649 120.300 -0.060 0.000 2.420 411 Y HA 0.062 4.615 4.550 0.005 0.000 0.292 411 Y C 2.352 178.216 175.900 -0.060 0.000 1.119 411 Y CA 0.930 58.999 58.100 -0.052 0.000 1.229 411 Y CB -0.361 38.062 38.460 -0.061 0.000 1.026 411 Y HN 0.028 nan 8.280 nan 0.000 0.554 412 T N -0.110 114.469 114.554 0.041 0.000 2.821 412 T HA -0.131 4.224 4.350 0.008 0.000 0.267 412 T C 1.825 176.480 174.700 -0.076 0.000 1.046 412 T CA 1.230 63.317 62.100 -0.021 0.000 1.139 412 T CB -0.086 68.764 68.868 -0.031 0.000 0.871 412 T HN 0.262 nan 8.240 nan 0.000 0.454 413 K N 0.840 121.203 120.400 -0.062 0.000 2.211 413 K HA -0.002 4.323 4.320 0.008 0.000 0.203 413 K C 2.270 178.842 176.600 -0.047 0.000 1.050 413 K CA 0.912 57.159 56.287 -0.066 0.000 0.945 413 K CB 0.015 32.483 32.500 -0.054 0.000 0.732 413 K HN 0.283 nan 8.250 nan 0.000 0.451 414 K N 0.420 120.817 120.400 -0.005 0.000 2.186 414 K HA -0.015 4.310 4.320 0.008 0.000 0.202 414 K C 0.719 177.330 176.600 0.018 0.000 1.052 414 K CA 0.856 57.162 56.287 0.032 0.000 0.965 414 K CB 0.615 33.180 32.500 0.110 0.000 0.746 414 K HN 0.016 nan 8.250 nan 0.000 0.457 415 V N -1.768 118.145 119.914 -0.002 0.000 2.554 415 V HA 0.245 4.370 4.120 0.008 0.000 0.258 415 V C -2.766 173.268 176.094 -0.101 0.000 0.919 415 V CA -1.538 60.749 62.300 -0.021 0.000 0.910 415 V CB 1.195 33.038 31.823 0.033 0.000 1.100 415 V HN -0.124 nan 8.190 nan 0.000 0.491 416 P HA -0.063 nan 4.420 nan 0.000 0.225 416 P C 1.364 178.477 177.300 -0.312 0.000 1.148 416 P CA 1.207 63.981 63.100 -0.544 0.000 0.779 416 P CB 0.277 31.053 31.700 -1.539 0.000 0.780 417 Q N -0.910 118.826 119.800 -0.106 0.000 2.230 417 Q HA -0.017 4.327 4.340 0.008 0.000 0.202 417 Q C 0.758 176.789 176.000 0.052 0.000 0.963 417 Q CA 0.522 56.357 55.803 0.053 0.000 0.866 417 Q CB -0.992 27.805 28.738 0.098 0.000 0.931 417 Q HN 0.114 nan 8.270 nan 0.000 0.452 418 V N 0.908 120.842 119.914 0.034 0.000 2.999 418 V HA -0.033 4.092 4.120 0.008 0.000 0.307 418 V C 0.582 176.695 176.094 0.031 0.000 1.084 418 V CA -0.206 62.126 62.300 0.053 0.000 1.155 418 V CB 1.255 33.107 31.823 0.048 0.000 0.975 418 V HN 0.175 nan 8.190 nan 0.000 0.490 419 S N 2.239 117.959 115.700 0.033 0.000 2.549 419 S HA 0.050 4.524 4.470 0.008 0.000 0.279 419 S C 1.402 176.007 174.600 0.008 0.000 1.321 419 S CA 0.075 58.286 58.200 0.018 0.000 1.054 419 S CB 0.892 64.100 63.200 0.014 0.000 0.899 419 S HN 0.887 nan 8.310 nan 0.000 0.497 420 T N 6.504 121.059 114.554 0.001 0.000 2.635 420 T HA -0.070 4.285 4.350 0.008 0.000 0.267 420 T C -0.918 173.780 174.700 -0.003 0.000 1.040 420 T CA 1.717 63.815 62.100 -0.004 0.000 1.156 420 T CB -1.079 67.779 68.868 -0.017 0.000 0.863 420 T HN 0.689 nan 8.240 nan 0.000 0.430 421 P HA -0.037 nan 4.420 nan 0.000 0.220 421 P C 1.287 178.588 177.300 0.000 0.000 1.148 421 P CA 1.174 64.273 63.100 -0.002 0.000 0.803 421 P CB -0.297 31.400 31.700 -0.005 0.000 0.782 422 T N 0.570 115.125 114.554 0.001 0.000 2.812 422 T HA -0.017 4.337 4.350 0.008 0.000 0.264 422 T C 2.025 176.719 174.700 -0.009 0.000 1.042 422 T CA 0.845 62.945 62.100 -0.000 0.000 1.140 422 T CB -0.781 68.094 68.868 0.012 0.000 0.870 422 T HN 0.046 nan 8.240 nan 0.000 0.445 423 L N 0.858 122.079 121.223 -0.003 0.000 2.017 423 L HA -0.107 4.238 4.340 0.008 0.000 0.208 423 L C 2.687 179.556 176.870 -0.002 0.000 1.073 423 L CA 0.989 55.827 54.840 -0.003 0.000 0.745 423 L CB -0.675 41.390 42.059 0.009 0.000 0.894 423 L HN 0.139 nan 8.230 nan 0.000 0.432 424 V N -0.153 119.763 119.914 0.004 0.000 2.343 424 V HA -0.324 3.800 4.120 0.008 0.000 0.247 424 V C 2.445 178.542 176.094 0.006 0.000 1.051 424 V CA 2.164 64.470 62.300 0.010 0.000 1.036 424 V CB -0.493 31.342 31.823 0.019 0.000 0.654 424 V HN 0.523 nan 8.190 nan 0.000 0.451 425 E N 0.063 120.263 120.200 -0.001 0.000 2.028 425 E HA -0.176 4.178 4.350 0.008 0.000 0.191 425 E C 2.218 178.803 176.600 -0.025 0.000 0.988 425 E CA 1.577 57.973 56.400 -0.006 0.000 0.799 425 E CB -0.062 29.635 29.700 -0.006 0.000 0.755 425 E HN 0.359 nan 8.360 nan 0.000 0.447 426 V N 0.824 120.711 119.914 -0.046 0.000 2.332 426 V HA -0.272 3.853 4.120 0.008 0.000 0.248 426 V C 2.387 178.428 176.094 -0.087 0.000 1.055 426 V CA 2.042 64.288 62.300 -0.089 0.000 1.038 426 V CB -0.466 31.274 31.823 -0.138 0.000 0.651 426 V HN 0.276 nan 8.190 nan 0.000 0.450 427 S N -0.634 115.037 115.700 -0.048 0.000 2.383 427 S HA -0.131 4.344 4.470 0.008 0.000 0.227 427 S C 2.053 176.639 174.600 -0.023 0.000 1.026 427 S CA 1.156 59.343 58.200 -0.021 0.000 0.981 427 S CB -0.270 62.937 63.200 0.011 0.000 0.818 427 S HN 0.553 nan 8.310 nan 0.000 0.472 428 R N 1.600 122.097 120.500 -0.005 0.000 2.081 428 R HA 0.024 4.368 4.340 0.008 0.000 0.235 428 R C 1.776 178.084 176.300 0.013 0.000 1.131 428 R CA 1.259 57.372 56.100 0.021 0.000 0.960 428 R CB -0.424 29.898 30.300 0.037 0.000 0.856 428 R HN 0.365 nan 8.270 nan 0.000 0.436 429 N N 0.640 119.331 118.700 -0.015 0.000 2.270 429 N HA -0.099 4.645 4.740 0.008 0.000 0.181 429 N C 1.675 177.163 175.510 -0.036 0.000 1.016 429 N CA 0.797 53.827 53.050 -0.033 0.000 0.870 429 N CB -0.103 38.356 38.487 -0.047 0.000 0.979 429 N HN 0.060 nan 8.380 nan 0.000 0.431 430 L N 1.033 122.235 121.223 -0.035 0.000 2.083 430 L HA -0.024 4.320 4.340 0.008 0.000 0.209 430 L C 2.356 179.267 176.870 0.068 0.000 1.083 430 L CA 1.295 56.128 54.840 -0.011 0.000 0.752 430 L CB -1.633 40.411 42.059 -0.025 0.000 0.899 430 L HN 0.143 nan 8.230 nan 0.000 0.433 431 G N -0.821 108.025 108.800 0.076 0.000 2.421 431 G HA2 -0.258 3.706 3.960 0.008 0.000 0.216 431 G HA3 -0.258 3.706 3.960 0.008 0.000 0.216 431 G C 1.782 176.780 174.900 0.164 0.000 1.171 431 G CA 0.561 45.795 45.100 0.224 0.000 0.775 431 G HN 0.328 nan 8.290 nan 0.000 0.543 432 K N 0.023 120.452 120.400 0.049 0.000 2.032 432 K HA -0.077 4.248 4.320 0.008 0.000 0.209 432 K C 2.547 179.062 176.600 -0.142 0.000 1.048 432 K CA 1.357 57.619 56.287 -0.041 0.000 0.927 432 K CB -0.485 31.960 32.500 -0.092 0.000 0.712 432 K HN 0.206 nan 8.250 nan 0.000 0.441 433 V N 0.978 120.804 119.914 -0.147 0.000 2.453 433 V HA -0.241 3.884 4.120 0.008 0.000 0.252 433 V C 2.326 178.326 176.094 -0.157 0.000 1.068 433 V CA 2.150 64.358 62.300 -0.154 0.000 1.070 433 V CB -1.135 30.665 31.823 -0.039 0.000 0.664 433 V HN 0.530 nan 8.190 nan 0.000 0.461 434 G N 0.314 109.017 108.800 -0.162 0.000 2.404 434 G HA2 -0.228 3.737 3.960 0.008 0.000 0.215 434 G HA3 -0.228 3.737 3.960 0.008 0.000 0.215 434 G C 1.819 176.153 174.900 -0.943 0.000 1.174 434 G CA 1.165 45.986 45.100 -0.465 0.000 0.780 434 G HN 0.667 nan 8.290 nan 0.000 0.537 435 S N -0.043 115.242 115.700 -0.693 0.000 2.461 435 S HA 0.109 4.583 4.470 0.008 0.000 0.228 435 S C 2.030 176.516 174.600 -0.191 0.000 1.005 435 S CA 1.382 59.304 58.200 -0.464 0.000 0.942 435 S CB 0.077 63.329 63.200 0.088 0.000 0.776 435 S HN 0.239 nan 8.310 nan 0.000 0.514 436 K N 1.025 121.320 120.400 -0.175 0.000 2.005 436 K HA 0.215 4.540 4.320 0.008 0.000 0.206 436 K C 2.150 178.711 176.600 -0.065 0.000 1.044 436 K CA 1.546 57.798 56.287 -0.059 0.000 0.942 436 K CB -0.891 31.539 32.500 -0.116 0.000 0.727 436 K HN 0.466 nan 8.250 nan 0.000 0.439 437 c N -0.339 118.156 118.600 -0.174 0.000 2.467 437 c HA 0.013 4.587 4.570 0.008 0.000 0.279 437 c C 2.489 176.431 174.090 -0.246 0.000 1.347 437 c CA 0.144 56.285 56.329 -0.315 0.000 1.748 437 c CB -0.753 41.637 42.510 -0.200 0.000 1.977 437 c HN 0.565 nan 8.230 nan 0.000 0.501 438 c N 0.654 119.113 118.600 -0.235 0.000 2.466 438 c HA -0.052 4.522 4.570 0.008 0.000 0.283 438 c C 2.511 176.594 174.090 -0.012 0.000 1.472 438 c CA 0.837 57.072 56.329 -0.157 0.000 1.765 438 c CB -1.554 40.787 42.510 -0.282 0.000 1.724 438 c HN 0.630 nan 8.230 nan 0.000 0.560 439 K N -0.085 120.348 120.400 0.055 0.000 2.296 439 K HA 0.001 4.326 4.320 0.008 0.000 0.200 439 K C 0.679 177.424 176.600 0.241 0.000 1.048 439 K CA 0.587 56.975 56.287 0.168 0.000 0.966 439 K CB -0.023 32.600 32.500 0.205 0.000 0.754 439 K HN 0.697 nan 8.250 nan 0.000 0.466 440 H N 0.312 119.381 119.070 -0.002 0.000 2.508 440 H HA 0.167 4.728 4.556 0.008 0.000 0.358 440 H C -2.236 173.091 175.328 -0.002 0.000 1.212 440 H CA -2.602 53.446 56.048 0.001 0.000 1.356 440 H CB 0.796 30.557 29.762 -0.001 0.000 1.525 440 H HN -0.040 nan 8.280 nan 0.000 0.578 441 P HA -0.040 nan 4.420 nan 0.000 0.271 441 P C 0.720 178.059 177.300 0.066 0.000 1.218 441 P CA 0.003 63.141 63.100 0.064 0.000 0.780 441 P CB 0.727 32.446 31.700 0.033 0.000 0.901 442 E N 2.233 122.459 120.200 0.043 0.000 2.253 442 E HA -0.324 4.031 4.350 0.008 0.000 0.202 442 E C 1.525 178.149 176.600 0.039 0.000 1.014 442 E CA 1.541 57.961 56.400 0.034 0.000 0.823 442 E CB -0.234 29.483 29.700 0.027 0.000 0.736 442 E HN 0.510 nan 8.360 nan 0.000 0.478 443 A N 0.544 123.388 122.820 0.039 0.000 1.969 443 A HA -0.116 4.209 4.320 0.008 0.000 0.218 443 A C 1.782 179.390 177.584 0.040 0.000 1.169 443 A CA 1.196 53.254 52.037 0.035 0.000 0.635 443 A CB 0.028 19.038 19.000 0.016 0.000 0.810 443 A HN 0.087 nan 8.150 nan 0.000 0.445 444 K N -1.102 119.335 120.400 0.061 0.000 2.455 444 K HA 0.217 4.541 4.320 0.008 0.000 0.206 444 K C 1.468 178.098 176.600 0.048 0.000 1.027 444 K CA -0.263 56.070 56.287 0.077 0.000 1.113 444 K CB 0.417 33.007 32.500 0.151 0.000 0.850 444 K HN 0.336 nan 8.250 nan 0.000 0.503 445 R N 0.631 121.140 120.500 0.016 0.000 2.055 445 R HA 0.059 4.404 4.340 0.008 0.000 0.228 445 R C 2.236 178.499 176.300 -0.061 0.000 1.143 445 R CA 1.172 57.244 56.100 -0.047 0.000 0.945 445 R CB -0.110 30.172 30.300 -0.030 0.000 0.841 445 R HN 0.143 nan 8.270 nan 0.000 0.429 446 M N 0.816 120.395 119.600 -0.035 0.000 2.106 446 M HA -0.119 4.365 4.480 0.008 0.000 0.259 446 M C -0.941 175.325 176.300 -0.056 0.000 1.068 446 M CA 1.977 57.249 55.300 -0.046 0.000 1.100 446 M CB -0.669 31.905 32.600 -0.043 0.000 1.351 446 M HN -0.045 nan 8.290 nan 0.000 0.404 447 P HA -0.111 nan 4.420 nan 0.000 0.218 447 P C 1.629 178.867 177.300 -0.104 0.000 1.149 447 P CA 1.064 64.121 63.100 -0.072 0.000 0.817 447 P CB -0.261 31.401 31.700 -0.063 0.000 0.785 448 c N -0.201 118.327 118.600 -0.120 0.000 2.436 448 c HA -0.053 4.521 4.570 0.008 0.000 0.277 448 c C 2.825 176.836 174.090 -0.132 0.000 1.241 448 c CA 1.614 57.830 56.329 -0.188 0.000 1.721 448 c CB -1.605 40.730 42.510 -0.291 0.000 2.043 448 c HN 0.210 nan 8.230 nan 0.000 0.472 449 A N -0.038 122.741 122.820 -0.069 0.000 1.877 449 A HA -0.236 4.089 4.320 0.008 0.000 0.216 449 A C 2.189 179.770 177.584 -0.005 0.000 1.186 449 A CA 2.042 54.076 52.037 -0.005 0.000 0.620 449 A CB -1.031 17.956 19.000 -0.021 0.000 0.822 449 A HN 0.825 nan 8.150 nan 0.000 0.443 450 E N -0.221 119.957 120.200 -0.036 0.000 2.070 450 E HA -0.315 4.039 4.350 0.008 0.000 0.197 450 E C 1.732 178.320 176.600 -0.020 0.000 1.004 450 E CA 1.736 58.122 56.400 -0.022 0.000 0.805 450 E CB -0.272 29.412 29.700 -0.028 0.000 0.744 450 E HN 0.577 nan 8.360 nan 0.000 0.451 451 D N -0.949 119.401 120.400 -0.083 0.000 2.087 451 D HA -0.206 4.438 4.640 0.008 0.000 0.192 451 D C 1.784 178.030 176.300 -0.091 0.000 0.993 451 D CA 1.564 55.481 54.000 -0.137 0.000 0.828 451 D CB -0.225 40.383 40.800 -0.319 0.000 0.968 451 D HN 0.272 nan 8.370 nan 0.000 0.448 452 Y N -0.396 119.898 120.300 -0.011 0.000 2.220 452 Y HA 0.034 4.588 4.550 0.007 0.000 0.291 452 Y C 2.079 177.962 175.900 -0.028 0.000 1.129 452 Y CA 0.293 58.383 58.100 -0.015 0.000 1.161 452 Y CB -0.710 37.733 38.460 -0.028 0.000 0.997 452 Y HN 0.054 nan 8.280 nan 0.000 0.522 453 L N 0.021 121.318 121.223 0.123 0.000 2.131 453 L HA -0.197 4.147 4.340 0.008 0.000 0.210 453 L C 2.571 179.445 176.870 0.007 0.000 1.092 453 L CA 1.995 56.855 54.840 0.035 0.000 0.759 453 L CB -1.171 40.895 42.059 0.010 0.000 0.903 453 L HN 0.330 nan 8.230 nan 0.000 0.435 454 S N -1.393 114.321 115.700 0.022 0.000 2.382 454 S HA -0.156 4.318 4.470 0.008 0.000 0.228 454 S C 1.971 176.576 174.600 0.008 0.000 1.027 454 S CA 1.408 59.613 58.200 0.009 0.000 0.991 454 S CB -1.241 61.964 63.200 0.008 0.000 0.823 454 S HN 0.351 nan 8.310 nan 0.000 0.469 455 V N -0.156 119.778 119.914 0.033 0.000 2.407 455 V HA 0.055 4.179 4.120 0.008 0.000 0.245 455 V C 2.332 178.433 176.094 0.012 0.000 1.041 455 V CA 1.161 63.483 62.300 0.037 0.000 1.040 455 V CB -1.227 30.643 31.823 0.078 0.000 0.671 455 V HN 0.375 nan 8.190 nan 0.000 0.455 456 V N 0.140 120.053 119.914 -0.001 0.000 2.407 456 V HA -0.175 3.950 4.120 0.008 0.000 0.248 456 V C 2.626 178.654 176.094 -0.109 0.000 1.055 456 V CA 2.040 64.310 62.300 -0.051 0.000 1.049 456 V CB -0.704 31.079 31.823 -0.066 0.000 0.662 456 V HN 0.451 nan 8.190 nan 0.000 0.455 457 L N 0.179 121.328 121.223 -0.124 0.000 2.156 457 L HA -0.039 4.305 4.340 0.008 0.000 0.208 457 L C 2.108 178.926 176.870 -0.088 0.000 1.095 457 L CA 1.628 56.352 54.840 -0.194 0.000 0.770 457 L CB -1.195 40.760 42.059 -0.174 0.000 0.914 457 L HN 0.371 nan 8.230 nan 0.000 0.439 458 N N -0.929 117.754 118.700 -0.029 0.000 2.171 458 N HA -0.194 4.550 4.740 0.008 0.000 0.184 458 N C 1.848 177.364 175.510 0.010 0.000 1.021 458 N CA 1.055 54.112 53.050 0.011 0.000 0.854 458 N CB -0.016 38.482 38.487 0.019 0.000 0.994 458 N HN 0.422 nan 8.380 nan 0.000 0.426 459 Q N 0.268 120.065 119.800 -0.004 0.000 2.002 459 Q HA -0.210 4.134 4.340 0.008 0.000 0.204 459 Q C 2.072 178.068 176.000 -0.006 0.000 0.988 459 Q CA 1.799 57.602 55.803 0.001 0.000 0.843 459 Q CB -0.482 28.252 28.738 -0.007 0.000 0.908 459 Q HN 0.419 nan 8.270 nan 0.000 0.420 460 L N 1.122 122.316 121.223 -0.049 0.000 2.021 460 L HA -0.236 4.108 4.340 0.008 0.000 0.215 460 L C 2.386 179.268 176.870 0.020 0.000 1.074 460 L CA 2.278 57.082 54.840 -0.060 0.000 0.760 460 L CB -1.168 40.774 42.059 -0.195 0.000 0.889 460 L HN 0.469 nan 8.230 nan 0.000 0.433 461 c N -1.591 117.031 118.600 0.037 0.000 2.436 461 c HA -0.131 4.444 4.570 0.008 0.000 0.277 461 c C 2.730 176.895 174.090 0.124 0.000 1.241 461 c CA 0.871 57.269 56.329 0.114 0.000 1.721 461 c CB -0.930 41.653 42.510 0.121 0.000 2.043 461 c HN 0.551 nan 8.230 nan 0.000 0.472 462 V N 1.170 121.130 119.914 0.078 0.000 2.231 462 V HA -0.290 3.835 4.120 0.008 0.000 0.248 462 V C 2.389 178.521 176.094 0.062 0.000 1.054 462 V CA 2.248 64.585 62.300 0.062 0.000 1.015 462 V CB -0.784 31.063 31.823 0.041 0.000 0.638 462 V HN 0.540 nan 8.190 nan 0.000 0.444 463 L N -0.592 120.666 121.223 0.058 0.000 1.978 463 L HA -0.309 4.036 4.340 0.008 0.000 0.218 463 L C 2.640 179.548 176.870 0.063 0.000 1.075 463 L CA 2.503 57.372 54.840 0.049 0.000 0.767 463 L CB -1.198 40.889 42.059 0.045 0.000 0.890 463 L HN 0.512 nan 8.230 nan 0.000 0.434 464 H N 0.341 119.422 119.070 0.019 0.000 2.422 464 H HA -0.197 4.365 4.556 0.009 0.000 0.298 464 H C 2.120 177.465 175.328 0.027 0.000 1.098 464 H CA 2.011 58.077 56.048 0.029 0.000 1.315 464 H CB 0.343 30.135 29.762 0.050 0.000 1.382 464 H HN 0.503 nan 8.280 nan 0.000 0.523 465 E N 0.966 121.217 120.200 0.085 0.000 2.077 465 E HA -0.179 4.175 4.350 0.008 0.000 0.193 465 E C 2.447 179.027 176.600 -0.035 0.000 0.989 465 E CA 2.054 58.477 56.400 0.038 0.000 0.800 465 E CB -0.921 28.814 29.700 0.059 0.000 0.746 465 E HN 0.770 nan 8.360 nan 0.000 0.452 466 K N 0.730 121.113 120.400 -0.029 0.000 1.969 466 K HA -0.053 4.272 4.320 0.008 0.000 0.216 466 K C 2.057 178.613 176.600 -0.073 0.000 1.048 466 K CA 1.931 58.196 56.287 -0.037 0.000 0.948 466 K CB -1.384 31.103 32.500 -0.022 0.000 0.726 466 K HN 0.862 nan 8.250 nan 0.000 0.442 467 T N 0.013 114.503 114.554 -0.105 0.000 3.254 467 T HA 0.519 4.873 4.350 0.008 0.000 0.385 467 T C -2.919 171.617 174.700 -0.274 0.000 1.528 467 T CA -2.100 59.921 62.100 -0.132 0.000 1.212 467 T CB 0.903 69.723 68.868 -0.079 0.000 1.145 467 T HN 0.107 nan 8.240 nan 0.000 0.631 468 P HA 0.183 nan 4.420 nan 0.000 0.266 468 P C 0.336 177.448 177.300 -0.314 0.000 1.193 468 P CA -0.245 62.501 63.100 -0.589 0.000 0.770 468 P CB 1.012 32.569 31.700 -0.238 0.000 0.836 469 V N 0.007 119.815 119.914 -0.176 0.000 3.221 469 V HA 0.120 4.244 4.120 0.008 0.000 0.254 469 V C 0.355 176.563 176.094 0.190 0.000 1.586 469 V CA 0.435 62.777 62.300 0.070 0.000 1.074 469 V CB 0.883 32.758 31.823 0.088 0.000 0.912 469 V HN 0.534 nan 8.190 nan 0.000 0.426 470 S N 0.885 116.814 115.700 0.382 0.000 2.557 470 S HA 0.298 4.772 4.470 0.008 0.000 0.291 470 S C 0.612 175.301 174.600 0.150 0.000 1.116 470 S CA -0.163 58.157 58.200 0.199 0.000 0.992 470 S CB 1.584 64.858 63.200 0.124 0.000 1.028 470 S HN 0.544 nan 8.310 nan 0.000 0.484 471 D N 5.132 125.583 120.400 0.084 0.000 2.117 471 D HA -0.203 4.442 4.640 0.008 0.000 0.197 471 D C 1.490 177.787 176.300 -0.005 0.000 0.987 471 D CA 1.069 55.099 54.000 0.049 0.000 0.829 471 D CB -0.187 40.631 40.800 0.031 0.000 0.961 471 D HN 0.542 nan 8.370 nan 0.000 0.460 472 R N 0.566 121.051 120.500 -0.025 0.000 2.096 472 R HA -0.090 4.255 4.340 0.008 0.000 0.240 472 R C 2.717 178.912 176.300 -0.175 0.000 1.139 472 R CA 1.375 57.424 56.100 -0.084 0.000 0.952 472 R CB -0.599 29.666 30.300 -0.058 0.000 0.854 472 R HN 0.122 nan 8.270 nan 0.000 0.436 473 V N 0.394 120.201 119.914 -0.179 0.000 2.295 473 V HA -0.250 3.874 4.120 0.008 0.000 0.246 473 V C 2.079 178.002 176.094 -0.286 0.000 1.049 473 V CA 2.306 64.428 62.300 -0.297 0.000 1.024 473 V CB -0.649 30.859 31.823 -0.524 0.000 0.648 473 V HN 0.440 nan 8.190 nan 0.000 0.447 474 T N -0.245 114.216 114.554 -0.155 0.000 2.788 474 T HA -0.237 4.117 4.350 0.008 0.000 0.268 474 T C 1.953 176.624 174.700 -0.048 0.000 1.044 474 T CA 1.812 63.912 62.100 0.000 0.000 1.139 474 T CB -0.232 68.707 68.868 0.118 0.000 0.867 474 T HN 0.347 nan 8.240 nan 0.000 0.454 475 K N 1.309 121.654 120.400 -0.092 0.000 1.991 475 K HA -0.064 4.261 4.320 0.008 0.000 0.212 475 K C 2.344 178.853 176.600 -0.152 0.000 1.049 475 K CA 1.658 57.885 56.287 -0.100 0.000 0.932 475 K CB -1.187 31.248 32.500 -0.108 0.000 0.717 475 K HN 0.374 nan 8.250 nan 0.000 0.441 476 c N 0.071 118.484 118.600 -0.312 0.000 2.413 476 c HA -0.142 4.432 4.570 0.008 0.000 0.276 476 c C 2.896 176.861 174.090 -0.208 0.000 1.248 476 c CA 0.956 57.015 56.329 -0.450 0.000 1.742 476 c CB -1.194 40.576 42.510 -1.233 0.000 2.017 476 c HN 0.641 nan 8.230 nan 0.000 0.481 477 c N 0.941 119.478 118.600 -0.105 0.000 2.432 477 c HA -0.058 4.516 4.570 0.008 0.000 0.282 477 c C 2.662 176.799 174.090 0.078 0.000 1.388 477 c CA 1.842 58.218 56.329 0.078 0.000 1.777 477 c CB -1.628 40.950 42.510 0.113 0.000 1.882 477 c HN 0.840 nan 8.230 nan 0.000 0.520 478 T N -2.431 112.145 114.554 0.037 0.000 3.069 478 T HA 0.098 4.452 4.350 0.008 0.000 0.252 478 T C 0.295 175.041 174.700 0.078 0.000 1.053 478 T CA 0.128 62.260 62.100 0.053 0.000 0.964 478 T CB 0.151 69.033 68.868 0.023 0.000 1.005 478 T HN 0.440 nan 8.240 nan 0.000 0.532 479 E N 2.950 123.184 120.200 0.058 0.000 2.416 479 E HA 0.322 4.676 4.350 0.008 0.000 0.254 479 E C 0.233 176.928 176.600 0.158 0.000 1.241 479 E CA -0.099 56.341 56.400 0.066 0.000 0.969 479 E CB 0.609 30.307 29.700 -0.004 0.000 0.999 479 E HN 0.444 nan 8.360 nan 0.000 0.481 480 S N 1.685 117.465 115.700 0.132 0.000 2.549 480 S HA -0.026 4.449 4.470 0.008 0.000 0.283 480 S C 1.087 175.646 174.600 -0.068 0.000 1.320 480 S CA -0.551 57.712 58.200 0.105 0.000 1.058 480 S CB 0.652 63.875 63.200 0.037 0.000 0.882 480 S HN 0.593 nan 8.310 nan 0.000 0.498 481 L N 3.892 124.908 121.223 -0.346 0.000 2.450 481 L HA -0.042 4.302 4.340 0.008 0.000 0.225 481 L C 1.974 178.752 176.870 -0.152 0.000 1.145 481 L CA 1.317 55.992 54.840 -0.275 0.000 0.801 481 L CB -0.568 41.182 42.059 -0.514 0.000 0.924 481 L HN 0.772 nan 8.230 nan 0.000 0.447 482 V N -0.826 119.002 119.914 -0.144 0.000 2.878 482 V HA -0.039 4.085 4.120 0.008 0.000 0.250 482 V C 1.509 177.573 176.094 -0.050 0.000 1.075 482 V CA 1.121 63.372 62.300 -0.083 0.000 1.096 482 V CB -0.468 31.305 31.823 -0.082 0.000 0.724 482 V HN 0.515 nan 8.190 nan 0.000 0.467 483 N N -0.143 118.535 118.700 -0.037 0.000 2.236 483 N HA 0.078 4.823 4.740 0.008 0.000 0.196 483 N C 1.617 177.123 175.510 -0.006 0.000 1.114 483 N CA -0.012 53.025 53.050 -0.022 0.000 0.859 483 N CB 0.132 38.606 38.487 -0.022 0.000 0.982 483 N HN 0.435 nan 8.380 nan 0.000 0.493 484 R N 1.498 122.008 120.500 0.016 0.000 2.088 484 R HA -0.045 4.300 4.340 0.008 0.000 0.232 484 R C 2.154 178.556 176.300 0.170 0.000 1.136 484 R CA 1.312 57.461 56.100 0.081 0.000 0.926 484 R CB 0.015 30.381 30.300 0.108 0.000 0.837 484 R HN -0.055 nan 8.270 nan 0.000 0.429 485 R N 0.238 120.821 120.500 0.138 0.000 2.081 485 R HA -0.055 4.289 4.340 0.008 0.000 0.235 485 R C -0.875 175.499 176.300 0.123 0.000 1.131 485 R CA 1.624 57.815 56.100 0.152 0.000 0.960 485 R CB -1.384 28.953 30.300 0.061 0.000 0.856 485 R HN 0.305 nan 8.270 nan 0.000 0.436 486 P HA -0.084 nan 4.420 nan 0.000 0.218 486 P C 1.613 178.922 177.300 0.016 0.000 1.149 486 P CA 0.851 63.965 63.100 0.025 0.000 0.817 486 P CB -0.264 31.432 31.700 -0.006 0.000 0.785 487 c N -1.994 116.595 118.600 -0.018 0.000 2.440 487 c HA -0.070 4.504 4.570 0.008 0.000 0.278 487 c C 2.324 176.329 174.090 -0.143 0.000 1.295 487 c CA 0.549 56.808 56.329 -0.116 0.000 1.738 487 c CB -2.117 40.263 42.510 -0.217 0.000 1.987 487 c HN 0.059 nan 8.230 nan 0.000 0.492 488 F N 0.985 120.920 119.950 -0.025 0.000 2.325 488 F HA 0.007 4.539 4.527 0.010 0.000 0.299 488 F C 2.754 178.559 175.800 0.008 0.000 1.090 488 F CA 1.569 59.552 58.000 -0.030 0.000 1.392 488 F CB -0.523 38.437 39.000 -0.067 0.000 1.053 488 F HN 0.108 nan 8.300 nan 0.000 0.521 489 S N -0.420 115.389 115.700 0.183 0.000 2.406 489 S HA -0.059 4.416 4.470 0.008 0.000 0.228 489 S C 2.172 176.827 174.600 0.092 0.000 1.020 489 S CA 0.891 59.171 58.200 0.134 0.000 0.965 489 S CB -0.370 62.883 63.200 0.089 0.000 0.798 489 S HN 0.315 nan 8.310 nan 0.000 0.488 490 A N 0.614 123.466 122.820 0.053 0.000 2.208 490 A HA 0.312 4.636 4.320 0.008 0.000 0.209 490 A C 0.687 178.285 177.584 0.024 0.000 1.161 490 A CA 0.021 52.073 52.037 0.025 0.000 0.782 490 A CB -0.306 18.692 19.000 -0.003 0.000 0.816 490 A HN 0.398 nan 8.150 nan 0.000 0.477 491 L N 0.952 122.201 121.223 0.043 0.000 2.485 491 L HA 0.113 4.458 4.340 0.008 0.000 0.275 491 L C 0.341 177.241 176.870 0.051 0.000 1.207 491 L CA 0.255 55.121 54.840 0.043 0.000 0.855 491 L CB 0.421 42.530 42.059 0.084 0.000 1.114 491 L HN 0.401 nan 8.230 nan 0.000 0.485 492 E N 1.176 121.395 120.200 0.032 0.000 2.299 492 E HA 0.388 4.743 4.350 0.008 0.000 0.260 492 E C -0.948 175.667 176.600 0.024 0.000 0.944 492 E CA -1.097 55.318 56.400 0.026 0.000 0.815 492 E CB 2.104 31.814 29.700 0.017 0.000 1.252 492 E HN 0.195 nan 8.360 nan 0.000 0.418 493 V N 1.891 121.814 119.914 0.015 0.000 2.814 493 V HA -0.117 4.007 4.120 0.008 0.000 0.307 493 V C 0.237 176.345 176.094 0.024 0.000 1.089 493 V CA 0.677 62.985 62.300 0.012 0.000 1.212 493 V CB 0.229 32.056 31.823 0.007 0.000 0.912 493 V HN 0.637 nan 8.190 nan 0.000 0.497 494 D N 3.973 124.389 120.400 0.027 0.000 2.336 494 D HA 0.082 4.726 4.640 0.008 0.000 0.249 494 D C 0.952 177.300 176.300 0.080 0.000 1.213 494 D CA -0.202 53.830 54.000 0.053 0.000 0.870 494 D CB 1.169 42.003 40.800 0.057 0.000 1.076 494 D HN 0.545 nan 8.370 nan 0.000 0.483 495 E N 1.987 122.226 120.200 0.065 0.000 2.230 495 E HA -0.056 4.298 4.350 0.008 0.000 0.192 495 E C 1.506 178.151 176.600 0.075 0.000 0.987 495 E CA 0.590 57.027 56.400 0.061 0.000 0.841 495 E CB 0.163 29.886 29.700 0.039 0.000 0.783 495 E HN 0.496 nan 8.360 nan 0.000 0.481 496 T N 0.746 115.352 114.554 0.086 0.000 2.612 496 T HA -0.175 4.179 4.350 0.008 0.000 0.259 496 T C 0.612 175.378 174.700 0.109 0.000 1.065 496 T CA 0.462 62.612 62.100 0.083 0.000 1.167 496 T CB -0.648 68.269 68.868 0.081 0.000 0.863 496 T HN 0.165 nan 8.240 nan 0.000 0.407 497 Y N 2.645 122.959 120.300 0.023 0.000 3.084 497 Y HA -0.103 4.451 4.550 0.007 0.000 0.375 497 Y C -0.485 175.431 175.900 0.028 0.000 1.192 497 Y CA -0.453 57.664 58.100 0.028 0.000 1.588 497 Y CB -0.064 38.415 38.460 0.032 0.000 1.065 497 Y HN -0.036 nan 8.280 nan 0.000 0.585 498 V N 9.747 129.270 119.914 -0.652 0.000 2.333 498 V HA 0.249 4.373 4.120 0.008 0.000 0.274 498 V C -1.806 173.789 176.094 -0.832 0.000 1.028 498 V CA -1.874 60.122 62.300 -0.506 0.000 0.851 498 V CB 0.887 32.545 31.823 -0.275 0.000 1.000 498 V HN 0.742 nan 8.190 nan 0.000 0.456 499 P HA -0.028 nan 4.420 nan 0.000 0.263 499 P C -0.209 177.069 177.300 -0.037 0.000 1.168 499 P CA 0.148 63.158 63.100 -0.149 0.000 0.759 499 P CB 0.753 32.460 31.700 0.012 0.000 0.782 500 K N 2.260 122.748 120.400 0.147 0.000 2.401 500 K HA 0.049 4.373 4.320 0.008 0.000 0.278 500 K C 0.696 177.449 176.600 0.254 0.000 1.018 500 K CA 0.033 56.418 56.287 0.162 0.000 0.981 500 K CB 0.387 33.002 32.500 0.190 0.000 0.933 500 K HN 0.470 nan 8.250 nan 0.000 0.477 501 E N 1.994 122.283 120.200 0.148 0.000 2.383 501 E HA -0.005 4.349 4.350 0.008 0.000 0.264 501 E C -0.602 176.031 176.600 0.054 0.000 1.050 501 E CA -0.403 56.102 56.400 0.176 0.000 0.896 501 E CB 0.488 30.257 29.700 0.115 0.000 0.982 501 E HN 0.291 nan 8.360 nan 0.000 0.424 502 F N 3.828 123.685 119.950 -0.156 0.000 2.623 502 F HA -0.080 4.451 4.527 0.007 0.000 0.386 502 F C 0.322 176.055 175.800 -0.111 0.000 1.068 502 F CA 0.738 58.549 58.000 -0.316 0.000 1.265 502 F CB 0.324 39.230 39.000 -0.157 0.000 1.026 502 F HN 0.300 nan 8.300 nan 0.000 0.568 503 N N 5.053 123.315 118.700 -0.729 0.000 2.531 503 N HA 0.301 5.046 4.740 0.008 0.000 0.268 503 N C 0.366 175.486 175.510 -0.650 0.000 1.023 503 N CA 0.263 53.037 53.050 -0.461 0.000 0.896 503 N CB 1.636 39.901 38.487 -0.369 0.000 1.233 503 N HN 0.784 nan 8.380 nan 0.000 0.512 504 A N 3.202 125.873 122.820 -0.248 0.000 1.903 504 A HA -0.250 4.074 4.320 0.008 0.000 0.219 504 A C 1.854 179.374 177.584 -0.106 0.000 1.191 504 A CA 2.062 54.103 52.037 0.007 0.000 0.638 504 A CB -0.525 18.600 19.000 0.209 0.000 0.823 504 A HN 0.761 nan 8.150 nan 0.000 0.451 505 E N -0.420 119.693 120.200 -0.145 0.000 2.038 505 E HA -0.152 4.203 4.350 0.008 0.000 0.195 505 E C 2.000 178.411 176.600 -0.315 0.000 1.000 505 E CA 2.117 58.419 56.400 -0.165 0.000 0.803 505 E CB -0.848 28.772 29.700 -0.133 0.000 0.750 505 E HN 0.509 nan 8.360 nan 0.000 0.448 506 T N -0.278 113.988 114.554 -0.481 0.000 2.802 506 T HA -0.189 4.166 4.350 0.008 0.000 0.269 506 T C 0.423 174.554 174.700 -0.948 0.000 1.062 506 T CA 1.415 63.064 62.100 -0.753 0.000 1.133 506 T CB -0.342 67.906 68.868 -1.033 0.000 0.852 506 T HN 0.140 nan 8.240 nan 0.000 0.485 507 F N 0.787 120.531 119.950 -0.343 0.000 2.772 507 F HA 0.319 4.850 4.527 0.007 0.000 0.302 507 F C 0.647 176.295 175.800 -0.253 0.000 1.136 507 F CA -0.684 57.163 58.000 -0.256 0.000 1.322 507 F CB -0.000 38.975 39.000 -0.042 0.000 0.967 507 F HN -0.188 nan 8.300 nan 0.000 0.513 508 T N 1.586 115.941 114.554 -0.332 0.000 2.767 508 T HA 0.528 4.882 4.350 0.008 0.000 0.284 508 T C -0.706 173.707 174.700 -0.479 0.000 0.973 508 T CA -0.067 61.918 62.100 -0.192 0.000 0.996 508 T CB 0.653 69.461 68.868 -0.100 0.000 0.927 508 T HN -0.164 nan 8.240 nan 0.000 0.456 509 F N 1.737 121.682 119.950 -0.009 0.000 2.532 509 F HA 0.592 5.123 4.527 0.007 0.000 0.321 509 F C 0.552 176.055 175.800 -0.496 0.000 1.089 509 F CA -1.029 56.923 58.000 -0.080 0.000 0.926 509 F CB 1.523 40.655 39.000 0.220 0.000 1.168 509 F HN 0.582 nan 8.300 nan 0.000 0.459 510 H N -0.210 118.755 119.070 -0.175 0.000 3.117 510 H HA 0.670 5.230 4.556 0.007 0.000 0.288 510 H C 0.601 175.346 175.328 -0.970 0.000 1.604 510 H CA -0.374 55.429 56.048 -0.408 0.000 1.488 510 H CB 0.807 30.480 29.762 -0.147 0.000 1.813 510 H HN 0.583 nan 8.280 nan 0.000 0.817 511 A N -0.000 122.599 122.820 -0.367 0.000 2.119 511 A HA -0.114 4.211 4.320 0.008 0.000 0.216 511 A C 1.221 178.732 177.584 -0.120 0.000 1.152 511 A CA 1.181 53.082 52.037 -0.226 0.000 0.708 511 A CB -0.561 18.504 19.000 0.109 0.000 0.805 511 A HN 0.745 nan 8.150 nan 0.000 0.460 512 D N 1.386 121.736 120.400 -0.083 0.000 2.149 512 D HA -0.266 4.378 4.640 0.008 0.000 0.194 512 D C 1.732 178.011 176.300 -0.034 0.000 1.001 512 D CA 1.896 55.873 54.000 -0.038 0.000 0.849 512 D CB -0.838 39.946 40.800 -0.027 0.000 0.939 512 D HN 0.709 nan 8.370 nan 0.000 0.449 513 I N -0.412 120.121 120.570 -0.062 0.000 2.530 513 I HA -0.210 3.964 4.170 0.008 0.000 0.257 513 I C 2.181 178.296 176.117 -0.004 0.000 1.179 513 I CA 0.773 62.065 61.300 -0.013 0.000 1.440 513 I CB -0.898 37.108 38.000 0.009 0.000 1.087 513 I HN -0.046 nan 8.210 nan 0.000 0.440 514 c N -0.194 118.403 118.600 -0.006 0.000 2.475 514 c HA -0.016 4.559 4.570 0.008 0.000 0.279 514 c C 2.363 176.466 174.090 0.021 0.000 1.322 514 c CA 1.101 57.453 56.329 0.038 0.000 1.734 514 c CB -1.305 41.263 42.510 0.097 0.000 2.005 514 c HN 0.660 nan 8.230 nan 0.000 0.495 515 T N 0.986 115.549 114.554 0.014 0.000 3.330 515 T HA 0.406 4.761 4.350 0.008 0.000 0.249 515 T C -0.055 174.649 174.700 0.006 0.000 0.980 515 T CA 0.191 62.297 62.100 0.011 0.000 0.920 515 T CB -0.725 68.150 68.868 0.011 0.000 1.065 515 T HN 0.288 nan 8.240 nan 0.000 0.588 516 L N 0.962 122.189 121.223 0.006 0.000 2.279 516 L HA 0.614 4.959 4.340 0.008 0.000 0.262 516 L C 0.634 177.505 176.870 0.002 0.000 1.019 516 L CA -1.193 53.651 54.840 0.006 0.000 0.823 516 L CB 2.136 44.203 42.059 0.013 0.000 1.358 516 L HN 0.226 nan 8.230 nan 0.000 0.432 517 S N -1.024 114.677 115.700 0.001 0.000 2.645 517 S HA 0.174 4.648 4.470 0.008 0.000 0.266 517 S C 0.749 175.341 174.600 -0.014 0.000 1.258 517 S CA -0.617 57.579 58.200 -0.006 0.000 0.990 517 S CB 1.347 64.545 63.200 -0.003 0.000 0.967 517 S HN 0.582 nan 8.310 nan 0.000 0.556 518 E N 1.273 121.457 120.200 -0.028 0.000 2.021 518 E HA -0.222 4.133 4.350 0.008 0.000 0.200 518 E C 1.907 178.478 176.600 -0.048 0.000 1.015 518 E CA 1.704 58.071 56.400 -0.056 0.000 0.824 518 E CB -0.559 29.103 29.700 -0.063 0.000 0.762 518 E HN 0.827 nan 8.360 nan 0.000 0.454 519 K N 0.791 121.178 120.400 -0.023 0.000 2.059 519 K HA -0.219 4.105 4.320 0.008 0.000 0.212 519 K C 1.978 178.588 176.600 0.017 0.000 1.050 519 K CA 1.981 58.268 56.287 0.001 0.000 0.927 519 K CB -0.029 32.477 32.500 0.010 0.000 0.714 519 K HN 0.108 nan 8.250 nan 0.000 0.447 520 E N -0.299 119.910 120.200 0.015 0.000 2.204 520 E HA -0.149 4.205 4.350 0.008 0.000 0.194 520 E C 2.193 178.820 176.600 0.045 0.000 0.989 520 E CA 0.718 57.135 56.400 0.029 0.000 0.824 520 E CB 0.072 29.785 29.700 0.022 0.000 0.756 520 E HN 0.326 nan 8.360 nan 0.000 0.477 521 R N 0.919 121.437 120.500 0.031 0.000 2.061 521 R HA -0.133 4.212 4.340 0.008 0.000 0.230 521 R C 2.482 178.837 176.300 0.092 0.000 1.140 521 R CA 1.380 57.513 56.100 0.055 0.000 0.940 521 R CB -0.287 30.021 30.300 0.012 0.000 0.839 521 R HN 0.182 nan 8.270 nan 0.000 0.429 522 Q N 0.633 120.457 119.800 0.039 0.000 2.029 522 Q HA -0.209 4.135 4.340 0.008 0.000 0.209 522 Q C 2.219 178.342 176.000 0.205 0.000 0.999 522 Q CA 1.809 57.691 55.803 0.132 0.000 0.857 522 Q CB -0.366 28.405 28.738 0.056 0.000 0.926 522 Q HN 0.381 nan 8.270 nan 0.000 0.415 523 I N 0.821 121.473 120.570 0.136 0.000 2.315 523 I HA -0.321 3.854 4.170 0.008 0.000 0.251 523 I C 2.784 178.968 176.117 0.111 0.000 1.125 523 I CA 1.637 63.004 61.300 0.111 0.000 1.392 523 I CB -0.579 37.464 38.000 0.072 0.000 1.065 523 I HN 0.280 nan 8.210 nan 0.000 0.424 524 K N 1.258 121.736 120.400 0.130 0.000 2.062 524 K HA -0.133 4.192 4.320 0.008 0.000 0.205 524 K C 2.036 178.765 176.600 0.216 0.000 1.051 524 K CA 1.314 57.694 56.287 0.155 0.000 0.941 524 K CB -0.584 32.023 32.500 0.177 0.000 0.719 524 K HN 0.335 nan 8.250 nan 0.000 0.440 525 K N 0.371 120.919 120.400 0.247 0.000 2.025 525 K HA -0.110 4.214 4.320 0.008 0.000 0.207 525 K C 2.628 179.313 176.600 0.141 0.000 1.049 525 K CA 1.555 57.984 56.287 0.236 0.000 0.933 525 K CB -0.037 32.658 32.500 0.326 0.000 0.714 525 K HN 0.500 nan 8.250 nan 0.000 0.438 526 Q N 0.008 119.903 119.800 0.157 0.000 2.234 526 Q HA -0.132 4.213 4.340 0.008 0.000 0.206 526 Q C 1.882 177.918 176.000 0.060 0.000 0.980 526 Q CA 1.490 57.347 55.803 0.091 0.000 0.869 526 Q CB -0.132 28.668 28.738 0.104 0.000 0.912 526 Q HN 0.303 nan 8.270 nan 0.000 0.436 527 T N 0.620 115.216 114.554 0.069 0.000 2.857 527 T HA -0.046 4.308 4.350 0.008 0.000 0.266 527 T C 1.894 176.608 174.700 0.023 0.000 1.048 527 T CA 1.057 63.176 62.100 0.032 0.000 1.139 527 T CB -0.121 68.757 68.868 0.017 0.000 0.874 527 T HN 0.383 nan 8.240 nan 0.000 0.455 528 A N 1.141 124.000 122.820 0.065 0.000 1.969 528 A HA 0.058 4.382 4.320 0.008 0.000 0.218 528 A C 2.165 179.855 177.584 0.177 0.000 1.169 528 A CA 0.914 53.022 52.037 0.117 0.000 0.635 528 A CB -0.614 18.551 19.000 0.275 0.000 0.810 528 A HN 0.392 nan 8.150 nan 0.000 0.445 529 L N -0.167 121.105 121.223 0.081 0.000 2.056 529 L HA -0.064 4.281 4.340 0.008 0.000 0.207 529 L C 2.342 179.252 176.870 0.067 0.000 1.078 529 L CA 1.750 56.621 54.840 0.052 0.000 0.749 529 L CB -0.538 41.520 42.059 -0.002 0.000 0.901 529 L HN 0.144 nan 8.230 nan 0.000 0.433 530 V N -0.354 119.590 119.914 0.050 0.000 2.358 530 V HA -0.193 3.932 4.120 0.008 0.000 0.246 530 V C 2.633 178.770 176.094 0.073 0.000 1.047 530 V CA 1.576 63.899 62.300 0.038 0.000 1.035 530 V CB -0.629 31.204 31.823 0.017 0.000 0.658 530 V HN 0.420 nan 8.190 nan 0.000 0.452 531 E N -0.107 120.142 120.200 0.082 0.000 2.110 531 E HA -0.199 4.155 4.350 0.008 0.000 0.193 531 E C 2.082 178.880 176.600 0.330 0.000 0.988 531 E CA 1.054 57.516 56.400 0.104 0.000 0.804 531 E CB -0.408 29.226 29.700 -0.111 0.000 0.745 531 E HN 0.459 nan 8.360 nan 0.000 0.458 532 L N 0.682 122.147 121.223 0.403 0.000 1.976 532 L HA -0.157 4.188 4.340 0.008 0.000 0.209 532 L C 2.315 179.321 176.870 0.227 0.000 1.071 532 L CA 1.515 56.566 54.840 0.351 0.000 0.746 532 L CB -0.838 41.317 42.059 0.159 0.000 0.890 532 L HN -0.093 nan 8.230 nan 0.000 0.432 533 V N -0.054 119.943 119.914 0.138 0.000 2.392 533 V HA -0.314 3.810 4.120 0.008 0.000 0.249 533 V C 2.582 178.752 176.094 0.127 0.000 1.059 533 V CA 2.100 64.453 62.300 0.087 0.000 1.051 533 V CB -0.873 30.968 31.823 0.030 0.000 0.658 533 V HN 0.482 nan 8.190 nan 0.000 0.455 534 K N -0.823 119.677 120.400 0.166 0.000 2.283 534 K HA -0.170 4.154 4.320 0.008 0.000 0.202 534 K C 2.160 178.993 176.600 0.390 0.000 1.048 534 K CA 1.288 57.720 56.287 0.242 0.000 0.948 534 K CB -0.182 32.439 32.500 0.202 0.000 0.742 534 K HN 0.558 nan 8.250 nan 0.000 0.458 535 H N 0.633 119.838 119.070 0.226 0.000 2.431 535 H HA 0.163 4.724 4.556 0.008 0.000 0.295 535 H C -0.104 175.322 175.328 0.164 0.000 1.038 535 H CA 1.067 57.242 56.048 0.212 0.000 1.360 535 H CB 0.540 30.460 29.762 0.264 0.000 1.433 535 H HN -0.189 nan 8.280 nan 0.000 0.536 536 K N 1.015 121.420 120.400 0.009 0.000 2.992 536 K HA 0.168 4.492 4.320 0.008 0.000 0.178 536 K C -2.344 174.264 176.600 0.014 0.000 1.122 536 K CA -1.290 54.951 56.287 -0.076 0.000 0.926 536 K CB 1.907 34.316 32.500 -0.152 0.000 1.121 536 K HN 0.194 nan 8.250 nan 0.000 0.610 537 P HA -0.151 nan 4.420 nan 0.000 0.231 537 P C 0.134 177.455 177.300 0.034 0.000 1.158 537 P CA 0.765 63.906 63.100 0.068 0.000 0.763 537 P CB 0.386 32.175 31.700 0.148 0.000 0.805 538 K N -0.544 119.867 120.400 0.018 0.000 2.372 538 K HA 0.281 4.606 4.320 0.008 0.000 0.200 538 K C 0.927 177.522 176.600 -0.008 0.000 1.022 538 K CA -0.298 55.992 56.287 0.005 0.000 1.125 538 K CB 0.451 32.951 32.500 0.001 0.000 0.855 538 K HN 0.049 nan 8.250 nan 0.000 0.524 539 A N 1.632 124.445 122.820 -0.011 0.000 2.477 539 A HA 0.163 4.488 4.320 0.008 0.000 0.246 539 A C 0.261 177.836 177.584 -0.015 0.000 1.078 539 A CA 0.253 52.280 52.037 -0.017 0.000 0.770 539 A CB 0.049 19.039 19.000 -0.018 0.000 1.011 539 A HN 0.120 nan 8.150 nan 0.000 0.494 540 T N 1.902 116.447 114.554 -0.015 0.000 2.913 540 T HA 0.143 4.497 4.350 0.008 0.000 0.297 540 T C 1.528 176.218 174.700 -0.016 0.000 1.029 540 T CA -0.024 62.067 62.100 -0.015 0.000 1.104 540 T CB 1.124 69.984 68.868 -0.012 0.000 0.964 540 T HN 0.756 nan 8.240 nan 0.000 0.532 541 K N 1.766 122.155 120.400 -0.018 0.000 2.173 541 K HA -0.167 4.158 4.320 0.008 0.000 0.207 541 K C 1.893 178.485 176.600 -0.014 0.000 1.046 541 K CA 1.650 57.925 56.287 -0.020 0.000 0.929 541 K CB -0.062 32.426 32.500 -0.020 0.000 0.720 541 K HN 0.448 nan 8.250 nan 0.000 0.453 542 E N 0.573 120.766 120.200 -0.010 0.000 2.016 542 E HA -0.150 4.205 4.350 0.008 0.000 0.190 542 E C 2.146 178.742 176.600 -0.006 0.000 0.985 542 E CA 1.235 57.631 56.400 -0.007 0.000 0.802 542 E CB -0.314 29.383 29.700 -0.006 0.000 0.762 542 E HN 0.483 nan 8.360 nan 0.000 0.448 543 Q N 0.207 120.001 119.800 -0.009 0.000 2.077 543 Q HA -0.193 4.152 4.340 0.008 0.000 0.206 543 Q C 2.315 178.309 176.000 -0.010 0.000 0.989 543 Q CA 1.170 56.966 55.803 -0.011 0.000 0.853 543 Q CB -0.241 28.488 28.738 -0.015 0.000 0.907 543 Q HN 0.098 nan 8.270 nan 0.000 0.418 544 L N 1.300 122.516 121.223 -0.012 0.000 2.017 544 L HA -0.198 4.147 4.340 0.008 0.000 0.208 544 L C 2.264 179.132 176.870 -0.004 0.000 1.073 544 L CA 1.794 56.626 54.840 -0.012 0.000 0.745 544 L CB -0.409 41.639 42.059 -0.018 0.000 0.894 544 L HN 0.070 nan 8.230 nan 0.000 0.432 545 K N -0.920 119.478 120.400 -0.002 0.000 2.280 545 K HA -0.148 4.177 4.320 0.008 0.000 0.202 545 K C 1.839 178.450 176.600 0.019 0.000 1.047 545 K CA 1.047 57.338 56.287 0.008 0.000 0.942 545 K CB 0.008 32.511 32.500 0.005 0.000 0.739 545 K HN 0.413 nan 8.250 nan 0.000 0.457 546 A N 0.525 123.353 122.820 0.013 0.000 1.872 546 A HA -0.081 4.244 4.320 0.008 0.000 0.214 546 A C 2.204 179.805 177.584 0.029 0.000 1.187 546 A CA 1.260 53.307 52.037 0.017 0.000 0.614 546 A CB -0.484 18.520 19.000 0.006 0.000 0.826 546 A HN 0.131 nan 8.150 nan 0.000 0.442 547 V N 0.138 120.066 119.914 0.023 0.000 2.307 547 V HA -0.306 3.818 4.120 0.008 0.000 0.245 547 V C 2.629 178.774 176.094 0.084 0.000 1.045 547 V CA 2.200 64.520 62.300 0.034 0.000 1.024 547 V CB -0.737 31.086 31.823 -0.000 0.000 0.651 547 V HN 0.562 nan 8.190 nan 0.000 0.449 548 M N -0.446 119.196 119.600 0.070 0.000 2.267 548 M HA -0.201 4.283 4.480 0.008 0.000 0.263 548 M C 1.749 178.148 176.300 0.165 0.000 1.063 548 M CA 1.571 56.941 55.300 0.117 0.000 1.090 548 M CB -0.529 32.110 32.600 0.066 0.000 1.392 548 M HN 0.348 nan 8.290 nan 0.000 0.422 549 D N 0.374 120.840 120.400 0.110 0.000 2.137 549 D HA -0.102 4.542 4.640 0.008 0.000 0.202 549 D C 1.587 177.949 176.300 0.104 0.000 0.970 549 D CA 1.020 55.077 54.000 0.095 0.000 0.837 549 D CB -0.178 40.656 40.800 0.057 0.000 0.981 549 D HN 0.223 nan 8.370 nan 0.000 0.475 550 D N -0.027 120.436 120.400 0.105 0.000 2.084 550 D HA -0.160 4.484 4.640 0.008 0.000 0.194 550 D C 1.871 178.268 176.300 0.162 0.000 0.990 550 D CA 0.532 54.592 54.000 0.099 0.000 0.826 550 D CB -0.559 40.282 40.800 0.069 0.000 0.971 550 D HN 0.157 nan 8.370 nan 0.000 0.453 551 F N 1.844 121.834 119.950 0.067 0.000 2.065 551 F HA -0.266 4.266 4.527 0.008 0.000 0.298 551 F C 2.257 178.137 175.800 0.134 0.000 1.112 551 F CA 1.966 60.044 58.000 0.130 0.000 1.212 551 F CB -0.580 38.451 39.000 0.053 0.000 0.975 551 F HN -0.036 nan 8.300 nan 0.000 0.476 552 A N 0.581 123.513 122.820 0.186 0.000 1.881 552 A HA -0.299 4.026 4.320 0.008 0.000 0.219 552 A C 2.445 179.982 177.584 -0.079 0.000 1.215 552 A CA 3.018 55.090 52.037 0.057 0.000 0.648 552 A CB -1.803 17.266 19.000 0.114 0.000 0.832 552 A HN 0.644 nan 8.150 nan 0.000 0.455 553 A N -1.259 121.548 122.820 -0.022 0.000 1.835 553 A HA -0.034 4.291 4.320 0.008 0.000 0.215 553 A C 2.090 179.615 177.584 -0.098 0.000 1.199 553 A CA 1.748 53.759 52.037 -0.043 0.000 0.615 553 A CB -1.090 17.912 19.000 0.004 0.000 0.838 553 A HN 1.074 nan 8.150 nan 0.000 0.444 554 F N 0.972 120.799 119.950 -0.205 0.000 2.063 554 F HA -0.345 4.186 4.527 0.007 0.000 0.296 554 F C 2.037 177.636 175.800 -0.335 0.000 1.093 554 F CA 2.553 60.402 58.000 -0.252 0.000 1.229 554 F CB -0.512 38.342 39.000 -0.243 0.000 0.971 554 F HN 0.076 nan 8.300 nan 0.000 0.491 555 V N 0.550 119.966 119.914 -0.830 0.000 2.233 555 V HA -0.353 3.771 4.120 0.008 0.000 0.247 555 V C 2.328 178.131 176.094 -0.484 0.000 1.050 555 V CA 2.306 64.140 62.300 -0.777 0.000 1.010 555 V CB -0.997 30.473 31.823 -0.589 0.000 0.637 555 V HN 0.476 nan 8.190 nan 0.000 0.444 556 E N 1.156 121.167 120.200 -0.316 0.000 2.048 556 E HA -0.324 4.030 4.350 0.008 0.000 0.202 556 E C 2.072 178.528 176.600 -0.240 0.000 1.021 556 E CA 2.329 58.604 56.400 -0.209 0.000 0.825 556 E CB -0.525 29.093 29.700 -0.136 0.000 0.756 556 E HN 0.456 nan 8.360 nan 0.000 0.454 557 K N -0.174 120.076 120.400 -0.250 0.000 2.127 557 K HA -0.154 4.171 4.320 0.008 0.000 0.208 557 K C 2.011 178.411 176.600 -0.333 0.000 1.047 557 K CA 2.092 58.241 56.287 -0.230 0.000 0.927 557 K CB -0.875 31.525 32.500 -0.167 0.000 0.716 557 K HN 0.370 nan 8.250 nan 0.000 0.450 558 c N -0.940 117.306 118.600 -0.590 0.000 2.512 558 c HA 0.204 4.778 4.570 0.008 0.000 0.276 558 c C 1.361 175.146 174.090 -0.509 0.000 1.368 558 c CA -0.107 55.723 56.329 -0.832 0.000 1.755 558 c CB -0.508 40.779 42.510 -2.039 0.000 2.008 558 c HN 0.527 nan 8.230 nan 0.000 0.511 559 c N 1.807 120.229 118.600 -0.297 0.000 2.439 559 c HA 0.260 4.835 4.570 0.008 0.000 0.411 559 c C 1.376 175.419 174.090 -0.078 0.000 1.337 559 c CA 0.290 56.581 56.329 -0.064 0.000 1.716 559 c CB -2.242 40.274 42.510 0.009 0.000 2.332 559 c HN 0.703 nan 8.230 nan 0.000 0.594 560 K N -0.473 119.865 120.400 -0.104 0.000 2.434 560 K HA 0.194 4.518 4.320 0.008 0.000 0.170 560 K C -0.024 176.529 176.600 -0.079 0.000 1.738 560 K CA 0.110 56.350 56.287 -0.077 0.000 1.027 560 K CB 0.051 32.501 32.500 -0.083 0.000 1.595 560 K HN 0.348 nan 8.250 nan 0.000 0.546 561 A N 0.885 123.643 122.820 -0.103 0.000 2.320 561 A HA 0.413 4.738 4.320 0.008 0.000 0.334 561 A C 0.316 177.867 177.584 -0.054 0.000 1.147 561 A CA -0.570 51.414 52.037 -0.088 0.000 0.820 561 A CB 0.814 19.738 19.000 -0.128 0.000 1.218 561 A HN 0.206 nan 8.150 nan 0.000 0.482 562 D N 0.616 120.995 120.400 -0.036 0.000 2.251 562 D HA -0.165 4.480 4.640 0.008 0.000 0.215 562 D C 0.230 176.527 176.300 -0.004 0.000 1.047 562 D CA 1.830 55.821 54.000 -0.015 0.000 0.920 562 D CB -0.206 40.588 40.800 -0.011 0.000 1.186 562 D HN 0.737 nan 8.370 nan 0.000 0.482 563 D N 0.669 121.069 120.400 -0.001 0.000 2.398 563 D HA -0.009 4.635 4.640 0.008 0.000 0.250 563 D C 0.745 177.057 176.300 0.019 0.000 1.287 563 D CA 0.189 54.200 54.000 0.018 0.000 0.992 563 D CB 0.289 41.103 40.800 0.022 0.000 1.071 563 D HN 0.030 nan 8.370 nan 0.000 0.514 564 K N 2.156 122.584 120.400 0.046 0.000 2.155 564 K HA -0.086 4.238 4.320 0.008 0.000 0.203 564 K C 1.588 178.315 176.600 0.212 0.000 1.052 564 K CA 0.482 56.817 56.287 0.081 0.000 0.948 564 K CB 0.220 32.816 32.500 0.161 0.000 0.728 564 K HN 0.375 nan 8.250 nan 0.000 0.448 565 E N 0.488 120.801 120.200 0.187 0.000 2.097 565 E HA -0.161 4.194 4.350 0.008 0.000 0.196 565 E C 1.891 178.615 176.600 0.207 0.000 1.000 565 E CA 1.509 58.036 56.400 0.213 0.000 0.804 565 E CB -0.116 29.669 29.700 0.142 0.000 0.740 565 E HN 0.263 nan 8.360 nan 0.000 0.454 566 T N 0.057 114.692 114.554 0.135 0.000 2.976 566 T HA -0.080 4.275 4.350 0.008 0.000 0.257 566 T C 2.011 176.773 174.700 0.103 0.000 1.051 566 T CA 0.809 62.977 62.100 0.113 0.000 1.141 566 T CB -0.410 68.501 68.868 0.072 0.000 0.881 566 T HN 0.292 nan 8.240 nan 0.000 0.461 567 c N 1.237 119.859 118.600 0.038 0.000 2.398 567 c HA -0.140 4.434 4.570 0.008 0.000 0.276 567 c C 2.184 176.284 174.090 0.017 0.000 1.222 567 c CA 0.655 56.952 56.329 -0.054 0.000 1.746 567 c CB -1.679 40.687 42.510 -0.241 0.000 2.039 567 c HN 0.539 nan 8.230 nan 0.000 0.470 568 F N 1.119 121.138 119.950 0.114 0.000 2.546 568 F HA 0.124 4.656 4.527 0.007 0.000 0.298 568 F C 2.228 178.166 175.800 0.231 0.000 1.120 568 F CA 1.072 59.197 58.000 0.208 0.000 1.456 568 F CB -0.419 38.642 39.000 0.102 0.000 1.088 568 F HN 0.365 nan 8.300 nan 0.000 0.572 569 A N -0.156 122.845 122.820 0.301 0.000 1.993 569 A HA 0.024 4.349 4.320 0.008 0.000 0.207 569 A C 2.114 179.789 177.584 0.152 0.000 1.224 569 A CA 0.638 52.798 52.037 0.205 0.000 0.749 569 A CB -0.331 18.768 19.000 0.166 0.000 0.884 569 A HN 0.399 nan 8.150 nan 0.000 0.467 570 E N -0.385 119.892 120.200 0.128 0.000 2.060 570 E HA -0.105 4.249 4.350 0.008 0.000 0.189 570 E C 1.298 177.944 176.600 0.077 0.000 0.974 570 E CA 0.914 57.365 56.400 0.085 0.000 0.808 570 E CB -0.358 29.378 29.700 0.061 0.000 0.768 570 E HN 0.350 nan 8.360 nan 0.000 0.453 571 E N 1.099 121.367 120.200 0.112 0.000 2.152 571 E HA -0.060 4.294 4.350 0.008 0.000 0.192 571 E C 2.223 178.809 176.600 -0.023 0.000 0.983 571 E CA 1.090 57.547 56.400 0.094 0.000 0.818 571 E CB -0.393 29.438 29.700 0.219 0.000 0.758 571 E HN 0.494 nan 8.360 nan 0.000 0.467 572 G N 1.833 110.678 108.800 0.075 0.000 2.432 572 G HA2 -0.281 3.684 3.960 0.008 0.000 0.219 572 G HA3 -0.281 3.684 3.960 0.008 0.000 0.219 572 G C 1.592 176.477 174.900 -0.025 0.000 1.135 572 G CA 0.757 45.816 45.100 -0.069 0.000 0.767 572 G HN 0.243 nan 8.290 nan 0.000 0.550 573 K N 0.463 120.883 120.400 0.032 0.000 2.026 573 K HA -0.052 4.272 4.320 0.008 0.000 0.208 573 K C 2.540 179.137 176.600 -0.007 0.000 1.048 573 K CA 1.259 57.566 56.287 0.034 0.000 0.929 573 K CB -0.153 32.371 32.500 0.041 0.000 0.713 573 K HN 0.207 nan 8.250 nan 0.000 0.439 574 K N 0.878 121.260 120.400 -0.030 0.000 1.991 574 K HA -0.174 4.151 4.320 0.008 0.000 0.212 574 K C 2.197 178.751 176.600 -0.077 0.000 1.049 574 K CA 1.241 57.500 56.287 -0.046 0.000 0.932 574 K CB -0.410 32.066 32.500 -0.041 0.000 0.717 574 K HN -0.012 nan 8.250 nan 0.000 0.441 575 L N 1.337 122.467 121.223 -0.156 0.000 1.963 575 L HA -0.268 4.076 4.340 0.008 0.000 0.220 575 L C 2.222 179.040 176.870 -0.087 0.000 1.076 575 L CA 1.656 56.388 54.840 -0.181 0.000 0.772 575 L CB -0.545 41.256 42.059 -0.429 0.000 0.892 575 L HN -0.017 nan 8.230 nan 0.000 0.435 576 V N -0.170 119.718 119.914 -0.044 0.000 2.282 576 V HA -0.372 3.753 4.120 0.008 0.000 0.249 576 V C 2.717 178.805 176.094 -0.011 0.000 1.057 576 V CA 1.917 64.239 62.300 0.036 0.000 1.032 576 V CB -1.407 30.512 31.823 0.160 0.000 0.645 576 V HN 0.665 nan 8.190 nan 0.000 0.447 577 A N -0.200 122.602 122.820 -0.030 0.000 1.877 577 A HA -0.111 4.214 4.320 0.008 0.000 0.216 577 A C 2.439 179.991 177.584 -0.054 0.000 1.186 577 A CA 2.241 54.245 52.037 -0.055 0.000 0.620 577 A CB -0.906 18.069 19.000 -0.042 0.000 0.822 577 A HN 0.582 nan 8.150 nan 0.000 0.443 578 A N -0.539 122.254 122.820 -0.045 0.000 1.858 578 A HA -0.102 4.223 4.320 0.008 0.000 0.216 578 A C 2.451 180.011 177.584 -0.039 0.000 1.190 578 A CA 2.199 54.213 52.037 -0.039 0.000 0.617 578 A CB -1.146 17.833 19.000 -0.034 0.000 0.827 578 A HN 0.462 nan 8.150 nan 0.000 0.443 579 S N -0.160 115.516 115.700 -0.040 0.000 2.380 579 S HA -0.279 4.195 4.470 0.008 0.000 0.229 579 S C 2.101 176.676 174.600 -0.042 0.000 1.043 579 S CA 1.840 60.017 58.200 -0.039 0.000 1.038 579 S CB -0.444 62.728 63.200 -0.047 0.000 0.872 579 S HN 0.691 nan 8.310 nan 0.000 0.456 580 Q N 0.435 120.206 119.800 -0.049 0.000 2.124 580 Q HA -0.036 4.309 4.340 0.008 0.000 0.202 580 Q C 2.527 178.494 176.000 -0.055 0.000 0.977 580 Q CA 1.285 57.055 55.803 -0.055 0.000 0.850 580 Q CB -0.348 28.322 28.738 -0.114 0.000 0.901 580 Q HN 0.622 nan 8.270 nan 0.000 0.429 581 A N 1.155 123.944 122.820 -0.052 0.000 1.898 581 A HA -0.085 4.239 4.320 0.008 0.000 0.216 581 A C 2.281 179.844 177.584 -0.036 0.000 1.181 581 A CA 1.547 53.557 52.037 -0.044 0.000 0.620 581 A CB -0.622 18.355 19.000 -0.039 0.000 0.819 581 A HN 0.385 nan 8.150 nan 0.000 0.442 582 A N -0.474 122.326 122.820 -0.033 0.000 1.968 582 A HA 0.140 4.465 4.320 0.008 0.000 0.217 582 A C 1.799 179.365 177.584 -0.030 0.000 1.169 582 A CA 1.102 53.122 52.037 -0.027 0.000 0.638 582 A CB -0.417 18.570 19.000 -0.023 0.000 0.812 582 A HN 0.445 nan 8.150 nan 0.000 0.446 583 L N -0.238 120.963 121.223 -0.036 0.000 2.627 583 L HA 0.263 4.608 4.340 0.008 0.000 0.232 583 L C 1.330 178.170 176.870 -0.050 0.000 1.150 583 L CA 0.044 54.858 54.840 -0.043 0.000 0.917 583 L CB -1.305 40.724 42.059 -0.050 0.000 1.104 583 L HN 0.567 nan 8.230 nan 0.000 0.445 584 G N 0.367 109.141 108.800 -0.043 0.000 2.801 584 G HA2 -0.018 3.946 3.960 0.008 0.000 0.244 584 G HA3 -0.018 3.946 3.960 0.008 0.000 0.244 584 G C -0.624 174.246 174.900 -0.050 0.000 1.385 584 G CA -0.063 45.012 45.100 -0.042 0.000 0.894 584 G HN 0.698 nan 8.290 nan 0.000 0.562 585 L N 0.000 121.197 121.223 -0.043 0.000 2.949 585 L HA 0.000 4.345 4.340 0.008 0.000 0.249 585 L CA 0.000 nan 54.840 nan 0.000 0.813 585 L CB 0.000 nan 42.059 nan 0.000 0.961 585 L HN 0.000 nan 8.230 nan 0.000 0.502